smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[NH+](CCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)C(C)C ZINC001593264358 994564419 /nfs/dbraw/zinc/56/44/19/994564419.db2.gz IECBZMSTIVOMFW-CQSZACIVSA-N 1 0 322.449 3.250 20 10 DGCDRO CC(C)[NH+](CCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)C(C)C ZINC001593264357 994564520 /nfs/dbraw/zinc/56/45/20/994564520.db2.gz IECBZMSTIVOMFW-AWEZNQCLSA-N 1 0 322.449 3.250 20 10 DGCDRO Cc1cc(Nc2ccc(F)c(Br)c2O)cc(C)[nH+]1 ZINC001176061057 1098253136 /nfs/dbraw/zinc/25/31/36/1098253136.db2.gz ZIOBXEMGJBCNSW-UHFFFAOYSA-N 1 0 311.154 3.471 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC001169652917 1081619596 /nfs/dbraw/zinc/61/95/96/1081619596.db2.gz SLYIHYCFTHDCHX-KBPBESRZSA-N 1 0 306.406 3.054 20 10 DGCDRO CCOC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC001169652921 1081619973 /nfs/dbraw/zinc/61/99/73/1081619973.db2.gz SLYIHYCFTHDCHX-UONOGXRCSA-N 1 0 306.406 3.054 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@@H](C)C(F)(F)F)CC2)cc1 ZINC001208884555 1081659239 /nfs/dbraw/zinc/65/92/39/1081659239.db2.gz AGCGWGLAVJTWCD-GFCCVEGCSA-N 1 0 302.340 3.016 20 10 DGCDRO CC[N+](C)(C)Cc1ccccc1NCc1ccc(O)c(O)c1 ZINC001169995234 1081817731 /nfs/dbraw/zinc/81/77/31/1081817731.db2.gz VIYJHWMVKUZZAV-UHFFFAOYSA-O 1 0 301.410 3.306 20 10 DGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(Br)cc1O)OC ZINC000691470249 1081859103 /nfs/dbraw/zinc/85/91/03/1081859103.db2.gz SSMDHSQSOQRZKY-YGRLFVJLSA-N 1 0 316.239 3.305 20 10 DGCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001648815020 1081928156 /nfs/dbraw/zinc/92/81/56/1081928156.db2.gz YRPBFFCZGFEMEF-CALCHBBNSA-N 1 0 316.489 3.469 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](CC)NC(=O)OC(C)(C)C)c1O ZINC000691507968 1081954672 /nfs/dbraw/zinc/95/46/72/1081954672.db2.gz FUUVOWIJKNGQIJ-HNNXBMFYSA-N 1 0 322.449 3.348 20 10 DGCDRO CCc1cccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1O ZINC000691506068 1081954870 /nfs/dbraw/zinc/95/48/70/1081954870.db2.gz AEOMELUPCTVZIS-UHFFFAOYSA-N 1 0 322.449 3.348 20 10 DGCDRO CN(c1ccc(OC(F)(F)F)c2ncccc12)C(C)(C)C[NH3+] ZINC001170059335 1081971753 /nfs/dbraw/zinc/97/17/53/1081971753.db2.gz GVEQHFNSNMFFKO-UHFFFAOYSA-N 1 0 313.323 3.307 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C4CC4)cn3)cc2)CC1 ZINC001167434522 1082114063 /nfs/dbraw/zinc/11/40/63/1082114063.db2.gz NWEADKBAGQBAHZ-UHFFFAOYSA-N 1 0 322.456 3.323 20 10 DGCDRO COCCOc1ccc(N2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001170157612 1082264203 /nfs/dbraw/zinc/26/42/03/1082264203.db2.gz LAVDHMGFGBHBDZ-AEFFLSMTSA-N 1 0 318.461 3.022 20 10 DGCDRO C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001170248036 1082333613 /nfs/dbraw/zinc/33/36/13/1082333613.db2.gz LULJAJNNWMEWGD-GTNSWQLSSA-N 1 0 321.804 3.005 20 10 DGCDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC001167628730 1082623443 /nfs/dbraw/zinc/62/34/43/1082623443.db2.gz YKVLEEIXWHTHED-INIZCTEOSA-N 1 0 315.461 3.122 20 10 DGCDRO CC[C@H]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133442819 1083125323 /nfs/dbraw/zinc/12/53/23/1083125323.db2.gz JXUPCFYMPIYVKA-IRXDYDNUSA-N 1 0 318.461 3.036 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000694798848 1083136549 /nfs/dbraw/zinc/13/65/49/1083136549.db2.gz BNKUIQPJOSACDW-DDFAGTSDSA-N 1 0 314.223 3.200 20 10 DGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001181234104 1083437724 /nfs/dbraw/zinc/43/77/24/1083437724.db2.gz HBRBWKADHWFOGN-SFHVURJKSA-N 1 0 305.418 3.112 20 10 DGCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001181590620 1083496748 /nfs/dbraw/zinc/49/67/48/1083496748.db2.gz OSOBWCAAKBJRBL-QGZVFWFLSA-N 1 0 318.461 3.396 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001182978840 1083857365 /nfs/dbraw/zinc/85/73/65/1083857365.db2.gz OXYOTYFAIIOXLX-MRXNPFEDSA-N 1 0 313.397 3.363 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3(C(C)C)CC3)CC2)c(OC)c1 ZINC001183418901 1083944648 /nfs/dbraw/zinc/94/46/48/1083944648.db2.gz DVAIWOXNCMQCNT-UHFFFAOYSA-N 1 0 318.461 3.262 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc3ncccc3c2)c1 ZINC001183822124 1084045999 /nfs/dbraw/zinc/04/59/99/1084045999.db2.gz CVSZRDTUIXBQJD-UHFFFAOYSA-N 1 0 308.381 3.281 20 10 DGCDRO Cc1ccc(C[NH2+]CCc2ccnn2-c2ccccc2)c(O)c1 ZINC001183875848 1084048390 /nfs/dbraw/zinc/04/83/90/1084048390.db2.gz IFLMDDMLTTVIMW-UHFFFAOYSA-N 1 0 307.397 3.219 20 10 DGCDRO C[C@@]1([NH3+])CCCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001205288337 1084088721 /nfs/dbraw/zinc/08/87/21/1084088721.db2.gz IVQRLNLSUQENJE-CQSZACIVSA-N 1 0 303.233 3.402 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1O ZINC001203602376 1084291472 /nfs/dbraw/zinc/29/14/72/1084291472.db2.gz RNLONMVXEVXVKH-HUUCEWRRSA-N 1 0 303.402 3.125 20 10 DGCDRO CC/C=C(/C)C(=O)NC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481794194 1084637689 /nfs/dbraw/zinc/63/76/89/1084637689.db2.gz NDOZZVUCCBXLDL-QHIITQONSA-N 1 0 318.461 3.344 20 10 DGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001648951607 1084903808 /nfs/dbraw/zinc/90/38/08/1084903808.db2.gz ZLNUTPPGGBYERJ-PKOBYXMFSA-N 1 0 302.462 3.362 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)C2CC2)cc1C ZINC001268674734 1084935849 /nfs/dbraw/zinc/93/58/49/1084935849.db2.gz YOUWEHOGOOOVEO-UKRRQHHQSA-N 1 0 318.461 3.034 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1C ZINC001657200538 1126259806 /nfs/dbraw/zinc/25/98/06/1126259806.db2.gz IWAZYWVRVFLEDK-LJQANCHMSA-N 1 0 313.441 3.477 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCO[C@H](C)C2)C1 ZINC001168129925 1086958510 /nfs/dbraw/zinc/95/85/10/1086958510.db2.gz BDXVZXRECYXMDQ-KGLIPLIRSA-N 1 0 314.429 3.113 20 10 DGCDRO CCOC(=O)C[N@H+](Cc1cccc(OCC)c1O)C1CCCC1 ZINC000093687018 1087191755 /nfs/dbraw/zinc/19/17/55/1087191755.db2.gz OAUXACIBGGPUHL-UHFFFAOYSA-N 1 0 321.417 3.099 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC001232269471 1087588537 /nfs/dbraw/zinc/58/85/37/1087588537.db2.gz BLPLSWZVSCBLKW-CYBMUJFWSA-N 1 0 303.736 3.285 20 10 DGCDRO [O-]c1c(Br)cc(F)cc1C[NH+]1CCC(CF)CC1 ZINC001235303346 1088305475 /nfs/dbraw/zinc/30/54/75/1088305475.db2.gz NCFDSZICDPZVEL-UHFFFAOYSA-N 1 0 320.177 3.475 20 10 DGCDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)ccc1O ZINC001272622329 1088332225 /nfs/dbraw/zinc/33/22/25/1088332225.db2.gz DUNJZAZMROPNPZ-DJIMGWMZSA-N 1 0 316.445 3.064 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c(C)n1-c1ccccc1 ZINC001206655736 1089119153 /nfs/dbraw/zinc/11/91/53/1089119153.db2.gz IEFWFOZHXNXWDB-QGZVFWFLSA-N 1 0 319.399 3.262 20 10 DGCDRO CCC[C@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155875827 1089280571 /nfs/dbraw/zinc/28/05/71/1089280571.db2.gz SZXJINWMSSEGNR-AWEZNQCLSA-N 1 0 306.450 3.036 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C)C(C)C)cc1C ZINC001484999559 1089822342 /nfs/dbraw/zinc/82/23/42/1089822342.db2.gz DIYSXDLHYXMHGG-JKSUJKDBSA-N 1 0 320.477 3.280 20 10 DGCDRO [NH3+]Cc1cccc(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001168526189 1089966996 /nfs/dbraw/zinc/96/69/96/1089966996.db2.gz SEWSQVQCMURYLT-UHFFFAOYSA-N 1 0 314.776 3.060 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ncc2c(n1)C[NH2+]C2 ZINC001163486450 1090197010 /nfs/dbraw/zinc/19/70/10/1090197010.db2.gz IARYTPGGAYYVET-QGZVFWFLSA-N 1 0 324.428 3.138 20 10 DGCDRO COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccccc3O)CCO2)cc1 ZINC001168583805 1090584255 /nfs/dbraw/zinc/58/42/55/1090584255.db2.gz KJIWOWLKIBBPOF-LPHOPBHVSA-N 1 0 313.397 3.411 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001203558570 1090614463 /nfs/dbraw/zinc/61/44/63/1090614463.db2.gz NDVQZSQLDCSGIU-UHFFFAOYSA-N 1 0 305.381 3.136 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1C ZINC001116443244 1090649562 /nfs/dbraw/zinc/64/95/62/1090649562.db2.gz LLDGTPZXTDPDEI-CVEARBPZSA-N 1 0 319.468 3.198 20 10 DGCDRO CCOc1ccccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001203545967 1090751824 /nfs/dbraw/zinc/75/18/24/1090751824.db2.gz YBONFQACBKHYGZ-UHFFFAOYSA-N 1 0 313.397 3.445 20 10 DGCDRO Oc1ccc(Br)cc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001203636238 1090771332 /nfs/dbraw/zinc/77/13/32/1090771332.db2.gz QXJYIDPSRPIPAY-KOLCDFICSA-N 1 0 318.161 3.242 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203551569 1090754624 /nfs/dbraw/zinc/75/46/24/1090754624.db2.gz JCROBMBEPDYJKF-OAHLLOKOSA-N 1 0 320.433 3.224 20 10 DGCDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccccc1O ZINC001203558713 1090755780 /nfs/dbraw/zinc/75/57/80/1090755780.db2.gz XNCKIOHUVODQFB-HNNXBMFYSA-N 1 0 315.413 3.438 20 10 DGCDRO C[C@]1(c2ccc(F)cc2)C[N@H+](Cc2ccccc2O)CCO1 ZINC001203558512 1090755967 /nfs/dbraw/zinc/75/59/67/1090755967.db2.gz LLNPJUBKYMNFOY-GOSISDBHSA-N 1 0 301.361 3.279 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001203561655 1090756521 /nfs/dbraw/zinc/75/65/21/1090756521.db2.gz XRLRTYHJLLEOQB-IEBWSBKVSA-N 1 0 308.425 3.099 20 10 DGCDRO O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001203561167 1090756942 /nfs/dbraw/zinc/75/69/42/1090756942.db2.gz MNHMCZPRHGOMIL-INIZCTEOSA-N 1 0 323.396 3.014 20 10 DGCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2O)[C@H]1c1ccccc1 ZINC001203563105 1090757782 /nfs/dbraw/zinc/75/77/82/1090757782.db2.gz VOXMSFBKQKCPDC-WMZOPIPTSA-N 1 0 311.381 3.128 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c1O ZINC001203602351 1090765637 /nfs/dbraw/zinc/76/56/37/1090765637.db2.gz QHZVWRQBEYUGLA-ZDUSSCGKSA-N 1 0 303.324 3.360 20 10 DGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(OC)cc1O)C2 ZINC001203621357 1090768155 /nfs/dbraw/zinc/76/81/55/1090768155.db2.gz BMGGBGOYKUHYLK-QAPCUYQASA-N 1 0 305.418 3.039 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001203621024 1090768414 /nfs/dbraw/zinc/76/84/14/1090768414.db2.gz NZUIZMOJPVLLCK-CYBMUJFWSA-N 1 0 307.287 3.125 20 10 DGCDRO CC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(OC)cc1O ZINC001203634507 1090770107 /nfs/dbraw/zinc/77/01/07/1090770107.db2.gz JRGGMKBUFVCBLD-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO COc1ccc(C[NH2+]CCC2CC=CC2)cc1Cn1cccn1 ZINC001203639036 1090771127 /nfs/dbraw/zinc/77/11/27/1090771127.db2.gz DZKDKCZRLPKKKJ-UHFFFAOYSA-N 1 0 311.429 3.386 20 10 DGCDRO CCc1nnc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)o1 ZINC001203664008 1090775973 /nfs/dbraw/zinc/77/59/73/1090775973.db2.gz KZLJEFITZNDMBV-UHFFFAOYSA-N 1 0 321.808 3.371 20 10 DGCDRO COC(=O)c1cccc(C[N@H+](C)Cc2cc(Cl)ccc2O)c1 ZINC001203664377 1090776113 /nfs/dbraw/zinc/77/61/13/1090776113.db2.gz BZGWKBLVRAKNSX-UHFFFAOYSA-N 1 0 319.788 3.464 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]2COCc2ccccc2)c1 ZINC001203677948 1090779048 /nfs/dbraw/zinc/77/90/48/1090779048.db2.gz BRUHUGIMHFTYCA-KRWDZBQOSA-N 1 0 313.397 3.192 20 10 DGCDRO Cc1ccccc1OC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203875541 1090825145 /nfs/dbraw/zinc/82/51/45/1090825145.db2.gz PKUASWZSJFBMMW-UHFFFAOYSA-N 1 0 313.397 3.450 20 10 DGCDRO Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879663 1090826467 /nfs/dbraw/zinc/82/64/67/1090826467.db2.gz WZACWUTWCMPOPN-INIZCTEOSA-N 1 0 313.397 3.450 20 10 DGCDRO CN(C)c1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc1 ZINC001203934007 1090842692 /nfs/dbraw/zinc/84/26/92/1090842692.db2.gz JHGUXWSMYOIUFX-SFTDATJTSA-N 1 0 321.468 3.211 20 10 DGCDRO CCc1noc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203937831 1090843642 /nfs/dbraw/zinc/84/36/42/1090843642.db2.gz UORWNSUMTHCMCV-UHFFFAOYSA-N 1 0 314.433 3.078 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C(=O)OC)CC[C@H]2C)cc1 ZINC001203939333 1090844131 /nfs/dbraw/zinc/84/41/31/1090844131.db2.gz OSJHLHGKYMIOLM-WBVHZDCISA-N 1 0 318.461 3.306 20 10 DGCDRO C[C@H]1C(=O)CC[N@H+](Cc2ccc(N(C)C)cc2)C12CCCC2 ZINC001203937333 1090844348 /nfs/dbraw/zinc/84/43/48/1090844348.db2.gz VJHWGPBPXGYINF-HNNXBMFYSA-N 1 0 300.446 3.476 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC001203942818 1090845391 /nfs/dbraw/zinc/84/53/91/1090845391.db2.gz SBFBZBNHIZORFA-MJGOQNOKSA-N 1 0 301.478 3.059 20 10 DGCDRO CN1CC2(C1)CCC[N@H+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001276445502 1090911586 /nfs/dbraw/zinc/91/15/86/1090911586.db2.gz NTFODZJLZLIHMZ-UHFFFAOYSA-N 1 0 302.462 3.217 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)C(C)(C)C2)c2ccccc21 ZINC001204240105 1090931420 /nfs/dbraw/zinc/93/14/20/1090931420.db2.gz IDZMJHFEIKOOEE-UHFFFAOYSA-N 1 0 311.473 3.432 20 10 DGCDRO CC(C)[N@H+](CCCO)Cc1ccc(N(C)C)c2ccccc12 ZINC001204242460 1090932433 /nfs/dbraw/zinc/93/24/33/1090932433.db2.gz PSBHCEDMOKXMNI-UHFFFAOYSA-N 1 0 300.446 3.499 20 10 DGCDRO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H](C)N1C ZINC001204242255 1090932574 /nfs/dbraw/zinc/93/25/74/1090932574.db2.gz NBOUSJGFHTUTKM-IYBDPMFKSA-N 1 0 311.473 3.430 20 10 DGCDRO Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204274664 1090938262 /nfs/dbraw/zinc/93/82/62/1090938262.db2.gz FGPVNSFYTNHMTD-QGZVFWFLSA-N 1 0 313.397 3.450 20 10 DGCDRO CC(C)(C)[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204321851 1090948334 /nfs/dbraw/zinc/94/83/34/1090948334.db2.gz LNZJPLYGTMWMAO-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2ccc(Cl)cc2)cc(O)c1O ZINC001204344897 1090952494 /nfs/dbraw/zinc/95/24/94/1090952494.db2.gz KTHXCEOBPAOBNW-UHFFFAOYSA-N 1 0 321.804 3.434 20 10 DGCDRO C[N@@H+]1CCN(Cc2ccc(Cl)cc2O)C2(CCCCC2)C1 ZINC001204360145 1090956287 /nfs/dbraw/zinc/95/62/87/1090956287.db2.gz SDOLOIYLKUQBGS-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001204896478 1091058010 /nfs/dbraw/zinc/05/80/10/1091058010.db2.gz JTWYSDZEOQUXCQ-OAHLLOKOSA-N 1 0 313.420 3.114 20 10 DGCDRO CC1([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)OCCO1 ZINC001204938170 1091067502 /nfs/dbraw/zinc/06/75/02/1091067502.db2.gz PFXIPRWYKZJFOZ-ZDUSSCGKSA-N 1 0 311.809 3.021 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC001205101130 1091102190 /nfs/dbraw/zinc/10/21/90/1091102190.db2.gz OFRACHJROCJJPA-FNYRVFDFSA-N 1 0 316.489 3.495 20 10 DGCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219590 1091118103 /nfs/dbraw/zinc/11/81/03/1091118103.db2.gz ICNHGSPQXKFMMX-KRWDZBQOSA-N 1 0 316.445 3.062 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@]1(C)O ZINC001138215641 1091118751 /nfs/dbraw/zinc/11/87/51/1091118751.db2.gz MNLFLLUJDZJLIO-LPHOPBHVSA-N 1 0 302.462 3.270 20 10 DGCDRO FC1C[C@@H]2COC[C@H](C1)N2Cc1ccc(N2CCCCC2)cc1 ZINC001138220803 1091119884 /nfs/dbraw/zinc/11/98/84/1091119884.db2.gz NFZKFEOAQXSXNY-JLYLLQBASA-N 1 0 318.436 3.378 20 10 DGCDRO O=C1CCC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]12 ZINC001138222083 1091119903 /nfs/dbraw/zinc/11/99/03/1091119903.db2.gz GFOSMHXMCIJHIK-HKUYNNGSSA-N 1 0 312.457 3.478 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001138220396 1091120096 /nfs/dbraw/zinc/12/00/96/1091120096.db2.gz AWHHYOQUNWAIRW-JVSBHGNQSA-N 1 0 312.457 3.286 20 10 DGCDRO CCOC(=O)C1CC[NH+](Cc2c(C)n(C)c3ccccc23)CC1 ZINC001138254160 1091125889 /nfs/dbraw/zinc/12/58/89/1091125889.db2.gz RSYBDWNOBDDHJI-UHFFFAOYSA-N 1 0 314.429 3.262 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)n(C)c2ccccc12 ZINC001138258263 1091126109 /nfs/dbraw/zinc/12/61/09/1091126109.db2.gz NQASEMPUKBJPKN-KRWDZBQOSA-N 1 0 300.402 3.014 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc23)[C@H]1C ZINC001138258295 1091127954 /nfs/dbraw/zinc/12/79/54/1091127954.db2.gz OXEGZLNMUJHOCL-GJZGRUSLSA-N 1 0 314.429 3.260 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCC[C@]1(C)O ZINC001138354347 1091150535 /nfs/dbraw/zinc/15/05/35/1091150535.db2.gz GIDCZNQYBAJPSD-KXBFYZLASA-N 1 0 302.462 3.052 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c(OC)c1 ZINC001138386172 1091161105 /nfs/dbraw/zinc/16/11/05/1091161105.db2.gz IIOYEQUSFGPJDM-QAPCUYQASA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(OC)c1 ZINC001138386400 1091161394 /nfs/dbraw/zinc/16/13/94/1091161394.db2.gz LUDNJGUGSWEING-CALCHBBNSA-N 1 0 316.445 3.237 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C2CC[NH+](C)CC2)c(OC)c1 ZINC001138387350 1091162576 /nfs/dbraw/zinc/16/25/76/1091162576.db2.gz CKXOJOSWCXEBTE-UHFFFAOYSA-N 1 0 319.493 3.067 20 10 DGCDRO CCC[NH+]1CCN(Cc2ccc(N(CC)CC)cc2OC)CC1 ZINC001138388941 1091162834 /nfs/dbraw/zinc/16/28/34/1091162834.db2.gz BSDITQUYRLVXMW-UHFFFAOYSA-N 1 0 319.493 3.069 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(OC)c1 ZINC001138390198 1091162950 /nfs/dbraw/zinc/16/29/50/1091162950.db2.gz YUDFLSMOCWOJGA-BHYGNILZSA-N 1 0 306.425 3.474 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC001138387731 1091162973 /nfs/dbraw/zinc/16/29/73/1091162973.db2.gz JNSHMSUEWNGUTP-UHFFFAOYSA-N 1 0 319.493 3.067 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c(OC)c1 ZINC001138386874 1091163957 /nfs/dbraw/zinc/16/39/57/1091163957.db2.gz YPWRARRKIDNKPF-KXBFYZLASA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(OC)c1 ZINC001138390459 1091165071 /nfs/dbraw/zinc/16/50/71/1091165071.db2.gz XSHCPOLLSCZZOR-LJQANCHMSA-N 1 0 318.461 3.296 20 10 DGCDRO COc1ccc(C)cc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001138487416 1091201742 /nfs/dbraw/zinc/20/17/42/1091201742.db2.gz RKNZSXCQQKSHAS-UHFFFAOYSA-N 1 0 313.397 3.363 20 10 DGCDRO COc1ccc(CN(C)Cc2c(O)cccc2F)c(OC)c1 ZINC001137838488 1091214944 /nfs/dbraw/zinc/21/49/44/1091214944.db2.gz BOGPPGHSJMEDNS-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO OC[C@]1([NH2+]Cc2ccc(Cl)cc2O)CCCc2ccccc21 ZINC001205501775 1091236720 /nfs/dbraw/zinc/23/67/20/1091236720.db2.gz UAJMXLZOFNUMCR-GOSISDBHSA-N 1 0 317.816 3.359 20 10 DGCDRO [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205578512 1091265505 /nfs/dbraw/zinc/26/55/05/1091265505.db2.gz DQLAGXXWCYPYRM-AWEZNQCLSA-N 1 0 321.223 3.352 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC001138653961 1091277305 /nfs/dbraw/zinc/27/73/05/1091277305.db2.gz ONRHWSMYTWZLKR-UHFFFAOYSA-N 1 0 323.371 3.275 20 10 DGCDRO CCN(CC)c1ccc(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c(OC)c1 ZINC001205817753 1091364089 /nfs/dbraw/zinc/36/40/89/1091364089.db2.gz QVTJELFZFYCFNG-MAUKXSAKSA-N 1 0 319.493 3.101 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](C)CC[C@H]3CN)c2c1 ZINC001205842023 1091376544 /nfs/dbraw/zinc/37/65/44/1091376544.db2.gz MCDSCPSZOVBWGZ-HIFRSBDPSA-N 1 0 314.429 3.113 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CCN(Cc2c(C)n[nH]c2C)C1 ZINC001139101296 1091450335 /nfs/dbraw/zinc/45/03/35/1091450335.db2.gz RCDRWDPOCTVBKG-UHFFFAOYSA-N 1 0 324.428 3.085 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@H](C)C[C@@H]1C ZINC001139129224 1091459437 /nfs/dbraw/zinc/45/94/37/1091459437.db2.gz RCNBVCZHEBUYLW-AAEUAGOBSA-N 1 0 301.386 3.427 20 10 DGCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001206444884 1091633717 /nfs/dbraw/zinc/63/37/17/1091633717.db2.gz LPCFOEIKTGHERD-DLBZAZTESA-N 1 0 318.367 3.069 20 10 DGCDRO Nc1ccc(OC(=O)c2ccc(Nc3cc[nH+]c(N)c3)cc2)cc1 ZINC001206568253 1091672150 /nfs/dbraw/zinc/67/21/50/1091672150.db2.gz LOYPXIDEIKPERN-UHFFFAOYSA-N 1 0 320.352 3.209 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(C(C)C)ccc1O)C1CCOCC1 ZINC001206644864 1091696167 /nfs/dbraw/zinc/69/61/67/1091696167.db2.gz KIRSLLNCJCKZSJ-KRWDZBQOSA-N 1 0 307.434 3.047 20 10 DGCDRO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cc(Cl)c(Cl)cc1O ZINC001206811504 1091751314 /nfs/dbraw/zinc/75/13/14/1091751314.db2.gz VQZOMMZBCGPADD-UWVGGRQHSA-N 1 0 303.233 3.258 20 10 DGCDRO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC001140060439 1091754549 /nfs/dbraw/zinc/75/45/49/1091754549.db2.gz WBDFSKAYKUNPHA-INIZCTEOSA-N 1 0 314.360 3.134 20 10 DGCDRO C[N@H+](Cc1ccccc1O)Cc1c(O)cccc1Br ZINC001140103264 1091768699 /nfs/dbraw/zinc/76/86/99/1091768699.db2.gz GPCQUURAFVLADH-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO Oc1cccc(Br)c1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001140100430 1091768966 /nfs/dbraw/zinc/76/89/66/1091768966.db2.gz OWSKMAZJPRPPCI-SCZZXKLOSA-N 1 0 318.161 3.242 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001140342707 1091835498 /nfs/dbraw/zinc/83/54/98/1091835498.db2.gz VIBHUTHAQZOPQN-LSDHHAIUSA-N 1 0 312.816 3.054 20 10 DGCDRO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140463205 1091875978 /nfs/dbraw/zinc/87/59/78/1091875978.db2.gz VVUBGFRIIOOGHX-VXGBXAGGSA-N 1 0 323.742 3.181 20 10 DGCDRO CC(C)C(=O)N(C)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464075 1091877096 /nfs/dbraw/zinc/87/70/96/1091877096.db2.gz AXSWQMIEZOBUKZ-UHFFFAOYSA-N 1 0 324.852 3.124 20 10 DGCDRO Oc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3O)CC2)cc1 ZINC001140461862 1091877314 /nfs/dbraw/zinc/87/73/14/1091877314.db2.gz WHFKJVYTPKQRNO-UHFFFAOYSA-N 1 0 318.804 3.073 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC001140621100 1091934632 /nfs/dbraw/zinc/93/46/32/1091934632.db2.gz OMFUXGWEZGUXHB-UYAOXDASSA-N 1 0 322.452 3.407 20 10 DGCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140621591 1091935047 /nfs/dbraw/zinc/93/50/47/1091935047.db2.gz LWZKCDMTBZASDV-QFBILLFUSA-N 1 0 319.445 3.108 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(COc3cccnc3)CC2)c1 ZINC001140619909 1091935423 /nfs/dbraw/zinc/93/54/23/1091935423.db2.gz UTPUVDBANJRJSK-UHFFFAOYSA-N 1 0 312.413 3.387 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC001140624222 1091936017 /nfs/dbraw/zinc/93/60/17/1091936017.db2.gz LRBAFNVVIXSDIO-AZUAARDMSA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3ncccc3C)CC2)c1 ZINC001140624050 1091936067 /nfs/dbraw/zinc/93/60/67/1091936067.db2.gz DONMZGBTQGQVKZ-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc(C)c1O ZINC001140659512 1091947984 /nfs/dbraw/zinc/94/79/84/1091947984.db2.gz GQFUNVNRGKCTTB-UHFFFAOYSA-N 1 0 313.397 3.369 20 10 DGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140663760 1091949735 /nfs/dbraw/zinc/94/97/35/1091949735.db2.gz OOLAXJIWAOCIPF-MRXNPFEDSA-N 1 0 306.425 3.427 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c1O ZINC001140745553 1091982871 /nfs/dbraw/zinc/98/28/71/1091982871.db2.gz KMBZTKCOFFPNJQ-KRWDZBQOSA-N 1 0 313.397 3.197 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c1O ZINC001140745360 1091983600 /nfs/dbraw/zinc/98/36/00/1091983600.db2.gz HAOCSVMTBJETNA-QGZVFWFLSA-N 1 0 313.397 3.450 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c(O)c1 ZINC001140856762 1092032100 /nfs/dbraw/zinc/03/21/00/1092032100.db2.gz MNMYEHGALBJWMB-YOEHRIQHSA-N 1 0 306.450 3.238 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)CC[C@@]1(C)O ZINC001140921273 1092062749 /nfs/dbraw/zinc/06/27/49/1092062749.db2.gz AQAWAAMSPLCSQI-CXAGYDPISA-N 1 0 310.869 3.389 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924714 1092064853 /nfs/dbraw/zinc/06/48/53/1092064853.db2.gz NMWYZYJOWAKXGJ-ZDUSSCGKSA-N 1 0 324.852 3.181 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140948285 1092075569 /nfs/dbraw/zinc/07/55/69/1092075569.db2.gz BMZHBIBYEROMMR-CQSZACIVSA-N 1 0 307.390 3.227 20 10 DGCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140952389 1092077993 /nfs/dbraw/zinc/07/79/93/1092077993.db2.gz PXGJBJUISWOYLX-APWZRJJASA-N 1 0 319.445 3.108 20 10 DGCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140954728 1092078989 /nfs/dbraw/zinc/07/89/89/1092078989.db2.gz XHOQIKYDPQBYRN-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCc3nn(-c4ccccc4)cc3C2)c(O)c1 ZINC001140957743 1092081592 /nfs/dbraw/zinc/08/15/92/1092081592.db2.gz MHXLUTLSUHEXRB-UHFFFAOYSA-N 1 0 319.408 3.445 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(OC)c1 ZINC001141028679 1092110826 /nfs/dbraw/zinc/11/08/26/1092110826.db2.gz ZOGZNIZJQIMTRZ-MRXNPFEDSA-N 1 0 314.385 3.142 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2ccc(C)cc2)c(OC)c1 ZINC001141028681 1092111029 /nfs/dbraw/zinc/11/10/29/1092111029.db2.gz ZQAPBZLJJDYXSQ-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO CCCO[C@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075948 1092129959 /nfs/dbraw/zinc/12/99/59/1092129959.db2.gz HIOYAJNXNDJDNG-IBGZPJMESA-N 1 0 314.473 3.386 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)[C@H](C)C1 ZINC001141079266 1092130963 /nfs/dbraw/zinc/13/09/63/1092130963.db2.gz ZPGLRYNLJGQNQL-BEFAXECRSA-N 1 0 314.473 3.385 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCCN3C)c1 ZINC001141143073 1092149112 /nfs/dbraw/zinc/14/91/12/1092149112.db2.gz MEQANACKTPXELE-UHFFFAOYSA-N 1 0 312.413 3.156 20 10 DGCDRO Cc1ccc(OC2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141158752 1092155696 /nfs/dbraw/zinc/15/56/96/1092155696.db2.gz MGJOESSIJHINJR-UHFFFAOYSA-N 1 0 313.397 3.450 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(F)cc2c1OCOC2 ZINC001141398028 1092229234 /nfs/dbraw/zinc/22/92/34/1092229234.db2.gz JLAZPPHTARUJHI-UHFFFAOYSA-N 1 0 317.360 3.420 20 10 DGCDRO CCN(CC[N@H+](CC)Cc1ccccc1O)C(=O)OC(C)(C)C ZINC001208578882 1092402735 /nfs/dbraw/zinc/40/27/35/1092402735.db2.gz MIYSIKUNRBNRQE-UHFFFAOYSA-N 1 0 322.449 3.471 20 10 DGCDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001168985419 1092462699 /nfs/dbraw/zinc/46/26/99/1092462699.db2.gz FCQFAZJRIVUERG-LRDDRELGSA-N 1 0 300.358 3.080 20 10 DGCDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001168967490 1092468303 /nfs/dbraw/zinc/46/83/03/1092468303.db2.gz QCWLRECBUFMSFF-IAGOWNOFSA-N 1 0 317.433 3.212 20 10 DGCDRO C[C@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC001208893127 1092571051 /nfs/dbraw/zinc/57/10/51/1092571051.db2.gz FVMXAKRTWAWANP-CYBMUJFWSA-N 1 0 316.367 3.153 20 10 DGCDRO CCC(=O)C(C)(C)C[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001208923590 1092587075 /nfs/dbraw/zinc/58/70/75/1092587075.db2.gz SSRIUOGCFWETMZ-UHFFFAOYSA-N 1 0 318.461 3.131 20 10 DGCDRO COC(=O)C1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143105209 1092615353 /nfs/dbraw/zinc/61/53/53/1092615353.db2.gz MUNHUIJCPHQPCP-UHFFFAOYSA-N 1 0 305.418 3.075 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@H]1C ZINC001143110937 1092616560 /nfs/dbraw/zinc/61/65/60/1092616560.db2.gz UAOGBJRDTBTLRS-DZGCQCFKSA-N 1 0 319.445 3.463 20 10 DGCDRO CC(C)(C)c1cccc(C[NH+]2CCC(N3CC(F)C3)CC2)c1O ZINC001143110793 1092616961 /nfs/dbraw/zinc/61/69/61/1092616961.db2.gz PKYHVMFKDBWPLJ-UHFFFAOYSA-N 1 0 320.452 3.308 20 10 DGCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143117186 1092617831 /nfs/dbraw/zinc/61/78/31/1092617831.db2.gz WQCFEFGOGITSQU-CYBMUJFWSA-N 1 0 305.418 3.075 20 10 DGCDRO CC[N@H+](Cc1scc2c1OCCO2)Cc1ccccc1O ZINC001143191039 1092630601 /nfs/dbraw/zinc/63/06/01/1092630601.db2.gz UHKQSTHCXXVRPO-UHFFFAOYSA-N 1 0 305.399 3.247 20 10 DGCDRO C[C@@H]1CC(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)C[C@@H](C)O1 ZINC001209384378 1092748647 /nfs/dbraw/zinc/74/86/47/1092748647.db2.gz AIVHRYJILRJEGA-CHWSQXEVSA-N 1 0 305.418 3.050 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)cc1 ZINC001209516129 1092803627 /nfs/dbraw/zinc/80/36/27/1092803627.db2.gz AODRQUORPVJPFD-QZTJIDSGSA-N 1 0 316.420 3.246 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCc3c(cnn3C)C2)cc1 ZINC001209517286 1092806124 /nfs/dbraw/zinc/80/61/24/1092806124.db2.gz BAYSMWYLVOCNDN-UHFFFAOYSA-N 1 0 320.440 3.386 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCc3nccn3CC2)cc1 ZINC001209520191 1092808156 /nfs/dbraw/zinc/80/81/56/1092808156.db2.gz QMJDMNORGPNAOI-UHFFFAOYSA-N 1 0 320.440 3.349 20 10 DGCDRO COC(C)(C)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000404324050 1094253970 /nfs/dbraw/zinc/25/39/70/1094253970.db2.gz PRVZBQCXEVCSJY-UHFFFAOYSA-N 1 0 302.212 3.012 20 10 DGCDRO C[C@]12CSC[C@H]1C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001119964201 1094325649 /nfs/dbraw/zinc/32/56/49/1094325649.db2.gz ZCBBYOSGCPWBPZ-AEFFLSMTSA-N 1 0 302.487 3.472 20 10 DGCDRO O=C1C=CC(=NNc2ccccc2)C(OC[C@H]2C[NH2+]CCO2)=C1 ZINC001218178995 1094644047 /nfs/dbraw/zinc/64/40/47/1094644047.db2.gz IYVFKSWGLSPHQV-FZFLATATSA-N 1 0 313.357 3.175 20 10 DGCDRO C[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1ccccc1F ZINC001218194710 1094653224 /nfs/dbraw/zinc/65/32/24/1094653224.db2.gz XVLIWDLOTSXOSM-CQSZACIVSA-N 1 0 300.377 3.375 20 10 DGCDRO c1ccc2c(c1)CC[C@@H](Oc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001218319314 1094713700 /nfs/dbraw/zinc/71/37/00/1094713700.db2.gz IIIBEJYRRZWTST-HXUWFJFHSA-N 1 0 308.425 3.033 20 10 DGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC2(CCCCO2)CC1 ZINC001337190042 1094891137 /nfs/dbraw/zinc/89/11/37/1094891137.db2.gz LXBHWMTUHIYWDG-UHFFFAOYSA-N 1 0 312.413 3.476 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)cc1O ZINC001170902779 1094900342 /nfs/dbraw/zinc/90/03/42/1094900342.db2.gz RMBGEOOWFMTPEB-CYBMUJFWSA-N 1 0 303.789 3.398 20 10 DGCDRO C[C@@H]1CC[NH2+][C@H](C(=O)N(Cc2ccccc2)c2ccc(N)cc2)C1 ZINC001218956253 1094914200 /nfs/dbraw/zinc/91/42/00/1094914200.db2.gz UNZXGCRTKAZVPQ-BEFAXECRSA-N 1 0 323.440 3.190 20 10 DGCDRO Nc1ccc(N(Cc2ccccc2)C(=O)CC2CC[NH2+]CC2)cc1 ZINC001218956234 1094914581 /nfs/dbraw/zinc/91/45/81/1094914581.db2.gz UGTIQLDVYSAMEB-UHFFFAOYSA-N 1 0 323.440 3.192 20 10 DGCDRO C[NH2+]CCC(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001219204259 1094951693 /nfs/dbraw/zinc/95/16/93/1094951693.db2.gz WXULYOOGHACRQF-SNAWJCMRSA-N 1 0 323.440 3.471 20 10 DGCDRO CCc1ccc(CN2CC3(CC[N@@H+]3C3CCCC3)C2)c(O)c1 ZINC001276804438 1094970503 /nfs/dbraw/zinc/97/05/03/1094970503.db2.gz FBNHDKOQKOBAIB-UHFFFAOYSA-N 1 0 300.446 3.157 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313354081 1095006832 /nfs/dbraw/zinc/00/68/32/1095006832.db2.gz PXHZVYXYXPIMEU-INIZCTEOSA-N 1 0 302.805 3.192 20 10 DGCDRO Cc1c(C(=O)NCC[NH3+])cc(-c2ccccc2)n1-c1ccccc1 ZINC001219874315 1095027485 /nfs/dbraw/zinc/02/74/85/1095027485.db2.gz KILOUZDNQCPWBF-UHFFFAOYSA-N 1 0 319.408 3.141 20 10 DGCDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000697820967 1095050706 /nfs/dbraw/zinc/05/07/06/1095050706.db2.gz AIWLRTJRLQUKGS-TZMCWYRMSA-N 1 0 320.433 3.130 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](CO)Cc1ccco1 ZINC001337785019 1095094466 /nfs/dbraw/zinc/09/44/66/1095094466.db2.gz INRJORRTRRNCAJ-YCPHGPKFSA-N 1 0 315.413 3.283 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154739 1095462399 /nfs/dbraw/zinc/46/23/99/1095462399.db2.gz QCKOHOPLOPRVBZ-HNNXBMFYSA-N 1 0 315.244 3.275 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@]12CCC[NH2+]C2 ZINC001222197386 1095487747 /nfs/dbraw/zinc/48/77/47/1095487747.db2.gz GHSANEJSGIEWGO-AWEZNQCLSA-N 1 0 301.217 3.027 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@]2(CC[NH2+]2)C1 ZINC001222287543 1095532207 /nfs/dbraw/zinc/53/22/07/1095532207.db2.gz LXPXZJFMXUCPAI-AWEZNQCLSA-N 1 0 301.217 3.027 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1C ZINC001116443245 1095555029 /nfs/dbraw/zinc/55/50/29/1095555029.db2.gz LLDGTPZXTDPDEI-HOTGVXAUSA-N 1 0 319.468 3.198 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139670178 1095619598 /nfs/dbraw/zinc/61/95/98/1095619598.db2.gz YWJDKJFFHVPBAD-INIZCTEOSA-N 1 0 318.461 3.226 20 10 DGCDRO FC(F)Oc1ccc(N2CCC[C@@H](Nc3cc[nH+]cc3)C2)cc1 ZINC001339450796 1095628626 /nfs/dbraw/zinc/62/86/26/1095628626.db2.gz KTKVALNKVAHYBP-CQSZACIVSA-N 1 0 319.355 3.186 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222470860 1095630311 /nfs/dbraw/zinc/63/03/11/1095630311.db2.gz JQIWBPKUYPICNB-FQEVSTJZSA-N 1 0 309.457 3.422 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccccc1O ZINC001116674227 1095631288 /nfs/dbraw/zinc/63/12/88/1095631288.db2.gz WDYFKAUSHVDCAP-GDBMZVCRSA-N 1 0 304.434 3.082 20 10 DGCDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116719509 1095642308 /nfs/dbraw/zinc/64/23/08/1095642308.db2.gz HWYDGLSPXFCNAJ-JTDSTZFVSA-N 1 0 302.462 3.268 20 10 DGCDRO COC(=O)N1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001116820185 1095669896 /nfs/dbraw/zinc/66/98/96/1095669896.db2.gz UOIORDKLXKZGRH-JSGCOSHPSA-N 1 0 318.417 3.069 20 10 DGCDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144514384 1095697926 /nfs/dbraw/zinc/69/79/26/1095697926.db2.gz AYPQOTDMOMXXNQ-INIZCTEOSA-N 1 0 315.369 3.149 20 10 DGCDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509223 1095698665 /nfs/dbraw/zinc/69/86/65/1095698665.db2.gz PSBNKQIHUSSYNR-HNNXBMFYSA-N 1 0 315.369 3.149 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCc3c4ccccc4oc3C2)c(O)c1 ZINC001144515411 1095700233 /nfs/dbraw/zinc/70/02/33/1095700233.db2.gz NPQAZMHHPRWFIC-UHFFFAOYSA-N 1 0 311.337 3.108 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CC(C2CCOCC2)C1 ZINC001339932152 1095782969 /nfs/dbraw/zinc/78/29/69/1095782969.db2.gz IEGYZRCSIUIGIB-UHFFFAOYSA-N 1 0 300.446 3.145 20 10 DGCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCCC2)cc1 ZINC001117630218 1095787317 /nfs/dbraw/zinc/78/73/17/1095787317.db2.gz PNDDIFRFKILZNM-PXNSSMCTSA-N 1 0 313.489 3.345 20 10 DGCDRO [O-]c1c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)ccc(F)c1F ZINC001276856631 1095832171 /nfs/dbraw/zinc/83/21/71/1095832171.db2.gz FJUIDDKCKKMXTJ-GASCZTMLSA-N 1 0 322.399 3.262 20 10 DGCDRO Oc1cccc2c1CN(Cc1cccc3c1OC(F)(F)O3)CC2 ZINC001138069828 1095864401 /nfs/dbraw/zinc/86/44/01/1095864401.db2.gz TZSUIEQYPOBWOE-UHFFFAOYSA-N 1 0 319.307 3.272 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCOC1CCOCC1 ZINC001340134610 1095877513 /nfs/dbraw/zinc/87/75/13/1095877513.db2.gz WWSAYRJYFZXSAD-DZGCQCFKSA-N 1 0 305.418 3.034 20 10 DGCDRO CCOCCC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001118800821 1096078790 /nfs/dbraw/zinc/07/87/90/1096078790.db2.gz DMDTURKGLKPOLK-UHFFFAOYSA-N 1 0 312.404 3.327 20 10 DGCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2ccccc21 ZINC001118847447 1096091025 /nfs/dbraw/zinc/09/10/25/1096091025.db2.gz MNRQXBWGBGWNPA-IBGZPJMESA-N 1 0 324.424 3.025 20 10 DGCDRO Nc1ccc(CC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001119319505 1096165211 /nfs/dbraw/zinc/16/52/11/1096165211.db2.gz BYMNIFFUWLILGL-UHFFFAOYSA-N 1 0 323.440 3.436 20 10 DGCDRO C[C@@H](c1ccccc1)[N@H+](CC[N+](=O)[O-])Cc1ccccc1O ZINC001119767837 1096258580 /nfs/dbraw/zinc/25/85/80/1096258580.db2.gz ADAKBAIMOYTPIH-AWEZNQCLSA-N 1 0 300.358 3.232 20 10 DGCDRO Cc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(O)c2)cc1 ZINC001171656157 1096940939 /nfs/dbraw/zinc/94/09/39/1096940939.db2.gz VKHWAVDWZHYPNU-IFXJQAMLSA-N 1 0 315.413 3.051 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC001171730491 1096956498 /nfs/dbraw/zinc/95/64/98/1096956498.db2.gz WLLMJECRCRMTEC-RBUKOAKNSA-N 1 0 318.461 3.021 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001171730489 1096956974 /nfs/dbraw/zinc/95/69/74/1096956974.db2.gz WLLMJECRCRMTEC-MOPGFXCFSA-N 1 0 318.461 3.021 20 10 DGCDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CN1Cc1ccccc1 ZINC001171760692 1096964889 /nfs/dbraw/zinc/96/48/89/1096964889.db2.gz ZKSFKRHLBZHIGH-APWZRJJASA-N 1 0 310.441 3.487 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172684401 1097208359 /nfs/dbraw/zinc/20/83/59/1097208359.db2.gz YFJFKSPNRVRAAN-SFHVURJKSA-N 1 0 324.424 3.015 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)C)cc1C ZINC001277343998 1097225050 /nfs/dbraw/zinc/22/50/50/1097225050.db2.gz ZSISSYSGHQYNEK-OAHLLOKOSA-N 1 0 320.477 3.424 20 10 DGCDRO COC(=O)[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001172808096 1097245006 /nfs/dbraw/zinc/24/50/06/1097245006.db2.gz QXXVBCWIMKMMHZ-FUHWJXTLSA-N 1 0 318.461 3.306 20 10 DGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001172925020 1097282459 /nfs/dbraw/zinc/28/24/59/1097282459.db2.gz BYTNIYNCGDBBGM-STQMWFEESA-N 1 0 314.223 3.202 20 10 DGCDRO c1cc(C[NH2+]C2CCC3(CCOCC3)CC2)cc2c1OCC2 ZINC001173040623 1097309953 /nfs/dbraw/zinc/30/99/53/1097309953.db2.gz JAJYXPBFYINNOU-UHFFFAOYSA-N 1 0 301.430 3.451 20 10 DGCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)c(C(C)(C)C)cc1O)C2 ZINC001277409454 1097364155 /nfs/dbraw/zinc/36/41/55/1097364155.db2.gz RAYKMFLHDNJMOH-OCCSQVGLSA-N 1 0 322.880 3.479 20 10 DGCDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001173218086 1097369717 /nfs/dbraw/zinc/36/97/17/1097369717.db2.gz OEXDXTFQZSBGJD-ZDUSSCGKSA-N 1 0 312.369 3.251 20 10 DGCDRO COC(=O)CCCC[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001173460982 1097453339 /nfs/dbraw/zinc/45/33/39/1097453339.db2.gz JGMIVEWTMFHHSJ-HNNXBMFYSA-N 1 0 306.450 3.306 20 10 DGCDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001173648694 1097490890 /nfs/dbraw/zinc/49/08/90/1097490890.db2.gz FLVCPBWCTUHLKC-HOCLYGCPSA-N 1 0 305.418 3.215 20 10 DGCDRO COC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC001173720371 1097501199 /nfs/dbraw/zinc/50/11/99/1097501199.db2.gz LKAFBGYAGCTQIT-CQSZACIVSA-N 1 0 313.397 3.208 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CC(N2CCC(F)CC2)C1 ZINC001231590269 1097785349 /nfs/dbraw/zinc/78/53/49/1097785349.db2.gz PIPBRVUEMRXHDC-UHFFFAOYSA-N 1 0 314.404 3.164 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001231587858 1097785641 /nfs/dbraw/zinc/78/56/41/1097785641.db2.gz HGAWWXFPFKUHMQ-SFHVURJKSA-N 1 0 303.377 3.232 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231589989 1097785922 /nfs/dbraw/zinc/78/59/22/1097785922.db2.gz XJOHNQUBJDVCTK-OAHLLOKOSA-N 1 0 313.397 3.321 20 10 DGCDRO CCc1nnc(C2CC[NH+](Cc3cccc(C)c3O)CC2)o1 ZINC001231593596 1097787022 /nfs/dbraw/zinc/78/70/22/1097787022.db2.gz KEZJKKFPWKXMJL-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO CC[C@@H]1[N@H+](Cc2cccc(C)c2O)CCC[C@]12CCC(=O)N2C ZINC001231593541 1097787202 /nfs/dbraw/zinc/78/72/02/1097787202.db2.gz WJTKEUJJGORBKX-LPHOPBHVSA-N 1 0 316.445 3.066 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2cccc(C)c2O)c1OC ZINC001231594207 1097788561 /nfs/dbraw/zinc/78/85/61/1097788561.db2.gz XUGIYNRQJRENBP-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c(O)cc1O ZINC001231635755 1097796833 /nfs/dbraw/zinc/79/68/33/1097796833.db2.gz KDOZCRSVDMELRS-HNNXBMFYSA-N 1 0 314.385 3.229 20 10 DGCDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(OC)c(O)cc2O)cc1 ZINC001231637370 1097797374 /nfs/dbraw/zinc/79/73/74/1097797374.db2.gz LAPMDACCMXQLBY-GFCCVEGCSA-N 1 0 317.385 3.308 20 10 DGCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(OC)c(O)cc1O ZINC001231639545 1097797980 /nfs/dbraw/zinc/79/79/80/1097797980.db2.gz SNWOXZNNCOSJEC-UHFFFAOYSA-N 1 0 301.386 3.437 20 10 DGCDRO COc1cc(C[N@H+](C)CC/C=C/c2cccnc2)c(O)cc1O ZINC001231639677 1097798374 /nfs/dbraw/zinc/79/83/74/1097798374.db2.gz 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1097864697 /nfs/dbraw/zinc/86/46/97/1097864697.db2.gz PYRXZHNHOUFKEQ-UHFFFAOYSA-N 1 0 318.461 3.154 20 10 DGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231853373 1097865218 /nfs/dbraw/zinc/86/52/18/1097865218.db2.gz JEXNWQSGVKRJNV-MRXNPFEDSA-N 1 0 306.450 3.152 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@H+](C(C)C)C1CCOCC1 ZINC001231854501 1097865311 /nfs/dbraw/zinc/86/53/11/1097865311.db2.gz BMUYRONLEPMYMX-UHFFFAOYSA-N 1 0 306.450 3.151 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001231853764 1097865752 /nfs/dbraw/zinc/86/57/52/1097865752.db2.gz QHLSMVLOXYYVLL-HNNXBMFYSA-N 1 0 311.429 3.146 20 10 DGCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231869987 1097870823 /nfs/dbraw/zinc/87/08/23/1097870823.db2.gz DRXPUWAUODTCRD-OBJOEFQTSA-N 1 0 323.820 3.128 20 10 DGCDRO COC(=O)C1(C)CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231883130 1097878495 /nfs/dbraw/zinc/87/84/95/1097878495.db2.gz ZCKSABPNBBJIHM-UHFFFAOYSA-N 1 0 313.397 3.321 20 10 DGCDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc2ccccc2c1O ZINC001231883233 1097878764 /nfs/dbraw/zinc/87/87/64/1097878764.db2.gz MWEWOCIMIGMDNB-INIZCTEOSA-N 1 0 301.386 3.175 20 10 DGCDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@H]1CCC2(C1)OCCO2 ZINC001231884300 1097879250 /nfs/dbraw/zinc/87/92/50/1097879250.db2.gz ZORGTXMADLTFJD-INIZCTEOSA-N 1 0 313.397 3.273 20 10 DGCDRO COc1ccnc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001231968959 1097903871 /nfs/dbraw/zinc/90/38/71/1097903871.db2.gz MAIZOVQMMVBLHY-UHFFFAOYSA-N 1 0 311.429 3.322 20 10 DGCDRO CC1CC([N@H+](C)Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194268 1097961560 /nfs/dbraw/zinc/96/15/60/1097961560.db2.gz HDRMEPDZICFSCL-UHFFFAOYSA-N 1 0 308.853 3.407 20 10 DGCDRO Clc1cc(C[N@@H+]2CCC3(CC3)C2)ccc1N1CCOCC1 ZINC001232194865 1097962327 /nfs/dbraw/zinc/96/23/27/1097962327.db2.gz OAEPBSQXDJNRPB-UHFFFAOYSA-N 1 0 306.837 3.163 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1Cl ZINC001232259223 1097984633 /nfs/dbraw/zinc/98/46/33/1097984633.db2.gz HIWIIDATFXQZDR-CQSZACIVSA-N 1 0 304.777 3.483 20 10 DGCDRO Oc1cc(O)c(CN2CCCC[C@H]2C[NH+]2CCCC2)cc1Cl ZINC001232261700 1097985546 /nfs/dbraw/zinc/98/55/46/1097985546.db2.gz MLUSFKOMWZJDFY-AWEZNQCLSA-N 1 0 324.852 3.202 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1Cl ZINC001232266095 1097985831 /nfs/dbraw/zinc/98/58/31/1097985831.db2.gz ISCSGOXMSFRYGQ-MEDUHNTESA-N 1 0 311.809 3.055 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC001232269363 1097988420 /nfs/dbraw/zinc/98/84/20/1097988420.db2.gz XEQFADGJYPWIQF-MRXNPFEDSA-N 1 0 311.809 3.057 20 10 DGCDRO CC[N@H+](Cc1ccc(C(=O)OC)c(F)c1)Cc1ccccc1O ZINC001232705092 1098117435 /nfs/dbraw/zinc/11/74/35/1098117435.db2.gz FYJIVEMGBAYAKI-UHFFFAOYSA-N 1 0 317.360 3.340 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c(O)c1 ZINC001232835340 1098148369 /nfs/dbraw/zinc/14/83/69/1098148369.db2.gz AWCRPGAHWCDEMV-GOSISDBHSA-N 1 0 312.413 3.032 20 10 DGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232838226 1098149039 /nfs/dbraw/zinc/14/90/39/1098149039.db2.gz IBGHATISDGSVKY-APWZRJJASA-N 1 0 318.461 3.097 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2[nH]nc3cc(F)ccc32)cc1 ZINC001233128205 1098232392 /nfs/dbraw/zinc/23/23/92/1098232392.db2.gz IWTFMBPDKKJYPH-UHFFFAOYSA-N 1 0 312.392 3.400 20 10 DGCDRO CC[C@H](C)[N@H+](C)Cc1cc(Br)c(OC)cc1O ZINC001233137275 1098235017 /nfs/dbraw/zinc/23/50/17/1098235017.db2.gz INNFHFMEVHQPDT-VIFPVBQESA-N 1 0 302.212 3.394 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)[C@@H]1C ZINC001233286054 1098274421 /nfs/dbraw/zinc/27/44/21/1098274421.db2.gz CPSMIFZHXDITQZ-CJNGLKHVSA-N 1 0 319.445 3.463 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001233287295 1098276050 /nfs/dbraw/zinc/27/60/50/1098276050.db2.gz GWMPZFTUYDZXEO-CZUORRHYSA-N 1 0 301.430 3.491 20 10 DGCDRO Cc1noc([C@H]2CC[N@H+](Cc3cc(C(C)(C)C)ccc3O)C2)n1 ZINC001233286728 1098276268 /nfs/dbraw/zinc/27/62/68/1098276268.db2.gz GUJHQVOSOPYBCX-ZDUSSCGKSA-N 1 0 315.417 3.371 20 10 DGCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233287316 1098276399 /nfs/dbraw/zinc/27/63/99/1098276399.db2.gz IRMQHLAMGCXFHG-CYBMUJFWSA-N 1 0 305.418 3.075 20 10 DGCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286271 1098276777 /nfs/dbraw/zinc/27/67/77/1098276777.db2.gz MRFLYHDDPFYAMZ-ZFWWWQNUSA-N 1 0 319.445 3.321 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)CCc2cccnc2)c1O ZINC001233290034 1098277393 /nfs/dbraw/zinc/27/73/93/1098277393.db2.gz DOXGKRJFBMNNFJ-UHFFFAOYSA-N 1 0 306.793 3.124 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2cccnc2C)c1O ZINC001233290763 1098277702 /nfs/dbraw/zinc/27/77/02/1098277702.db2.gz UPKQHIVZXCREGZ-UHFFFAOYSA-N 1 0 306.793 3.390 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1O ZINC001233287671 1098278147 /nfs/dbraw/zinc/27/81/47/1098278147.db2.gz BXPHGCNHIWNNEM-KOLCDFICSA-N 1 0 303.736 3.141 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)c1O ZINC001233290301 1098278253 /nfs/dbraw/zinc/27/82/53/1098278253.db2.gz VKIUESHJRDEAKJ-CQSZACIVSA-N 1 0 313.825 3.444 20 10 DGCDRO Oc1c(CN2CC([NH+]3CCCCC3)C2)cccc1C(F)(F)F ZINC001233418362 1098324594 /nfs/dbraw/zinc/32/45/94/1098324594.db2.gz DBLGNJWKXGNOMY-UHFFFAOYSA-N 1 0 314.351 3.081 20 10 DGCDRO CC[N@H+](CCC[NH+](C)C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419500 1098326002 /nfs/dbraw/zinc/32/60/02/1098326002.db2.gz ZUSRBRUBCLQUBP-UHFFFAOYSA-N 1 0 304.356 3.185 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC[C@@]1(C)O ZINC001233452261 1098337327 /nfs/dbraw/zinc/33/73/27/1098337327.db2.gz PGAKYXIZYXYAQR-XHDPSFHLSA-N 1 0 317.351 3.394 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCCC1=O ZINC001233452090 1098337390 /nfs/dbraw/zinc/33/73/90/1098337390.db2.gz KMDSOJOXRJVYIF-JTQLQIEISA-N 1 0 301.308 3.212 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cncc(Cl)n1 ZINC001233451123 1098337556 /nfs/dbraw/zinc/33/75/56/1098337556.db2.gz XZNNOCRYYVIITE-UHFFFAOYSA-N 1 0 304.825 3.218 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001233452408 1098337749 /nfs/dbraw/zinc/33/77/49/1098337749.db2.gz VKYDAUMCGIDDOF-AWEZNQCLSA-N 1 0 321.314 3.098 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001233452456 1098338077 /nfs/dbraw/zinc/33/80/77/1098338077.db2.gz XGFFMWMPKLGEBZ-WFASDCNBSA-N 1 0 315.335 3.412 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001233451815 1098338163 /nfs/dbraw/zinc/33/81/63/1098338163.db2.gz AGDOWOJMFYOKQU-CQSZACIVSA-N 1 0 301.308 3.166 20 10 DGCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233454963 1098339813 /nfs/dbraw/zinc/33/98/13/1098339813.db2.gz QLCZZBBHPCKIGQ-AWEZNQCLSA-N 1 0 303.324 3.268 20 10 DGCDRO C[N@H+](CCc1cccnc1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454413 1098340381 /nfs/dbraw/zinc/34/03/81/1098340381.db2.gz UEQLUAGKFIHALL-UHFFFAOYSA-N 1 0 310.319 3.481 20 10 DGCDRO CC[N@H+](CCn1cccn1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454811 1098340658 /nfs/dbraw/zinc/34/06/58/1098340658.db2.gz KVJXGKWXNMUFCU-UHFFFAOYSA-N 1 0 313.323 3.130 20 10 DGCDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(O)c(O)cc1O ZINC001233486524 1098346711 /nfs/dbraw/zinc/34/67/11/1098346711.db2.gz PTDROEPPYQVSGC-UHFFFAOYSA-N 1 0 307.777 3.479 20 10 DGCDRO COc1ccccc1[C@H](C)[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233486452 1098347914 /nfs/dbraw/zinc/34/79/14/1098347914.db2.gz NPJJQQJHLRLVJA-NSHDSACASA-N 1 0 303.358 3.005 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1O ZINC001233486425 1098348202 /nfs/dbraw/zinc/34/82/02/1098348202.db2.gz MNHJNRRPKDTYKV-LBPRGKRZSA-N 1 0 319.788 3.446 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](C)[C@@H]3CO)c2c1 ZINC001234525472 1098581105 /nfs/dbraw/zinc/58/11/05/1098581105.db2.gz ICYFKIHJWDPPNS-ACJLOTCBSA-N 1 0 315.413 3.147 20 10 DGCDRO CCCOC1C[NH+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC001234553231 1098595794 /nfs/dbraw/zinc/59/57/94/1098595794.db2.gz ZUIHAPNCXFXTMN-UHFFFAOYSA-N 1 0 301.386 3.165 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@]4(CCO4)C3)c2c1 ZINC001234561910 1098599682 /nfs/dbraw/zinc/59/96/82/1098599682.db2.gz FYSMZVDZASCBPO-IBGZPJMESA-N 1 0 313.397 3.309 20 10 DGCDRO COc1ccc2ccc(O)c(C[NH+]3CC([C@@H](C)OC)C3)c2c1 ZINC001234569281 1098603664 /nfs/dbraw/zinc/60/36/64/1098603664.db2.gz KNLRRPNDBYISLL-GFCCVEGCSA-N 1 0 301.386 3.021 20 10 DGCDRO C[C@@H](CCc1cccn1C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001177855592 1098632359 /nfs/dbraw/zinc/63/23/59/1098632359.db2.gz ZROLBENISDCKAB-ZDUSSCGKSA-N 1 0 321.415 3.480 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)Cc3ccco3)cc2)CC1 ZINC001234662035 1098636311 /nfs/dbraw/zinc/63/63/11/1098636311.db2.gz YLENXPKIKSVJGQ-MRXNPFEDSA-N 1 0 314.429 3.432 20 10 DGCDRO Oc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1F ZINC001177911240 1098645483 /nfs/dbraw/zinc/64/54/83/1098645483.db2.gz HPPJAIXPDMBKND-UHFFFAOYSA-N 1 0 300.377 3.421 20 10 DGCDRO Cn1cc(C[N@H+](C)Cc2cccc(-c3ccccc3)c2O)cn1 ZINC001234992255 1098736866 /nfs/dbraw/zinc/73/68/66/1098736866.db2.gz OEOTVLLGQYQNNF-UHFFFAOYSA-N 1 0 307.397 3.425 20 10 DGCDRO CCOC(=O)CC[N@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234996523 1098738481 /nfs/dbraw/zinc/73/84/81/1098738481.db2.gz IJBGIYYQSXGCCO-UHFFFAOYSA-N 1 0 313.397 3.444 20 10 DGCDRO Oc1c(C[N@H+]2CCc3nccn3CC2)cccc1-c1ccccc1 ZINC001234999327 1098742730 /nfs/dbraw/zinc/74/27/30/1098742730.db2.gz SKHHZZHUFQUXPW-UHFFFAOYSA-N 1 0 319.408 3.314 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@@]3(CC[NH2+]3)C2)cc1Cl ZINC001235068521 1098782911 /nfs/dbraw/zinc/78/29/11/1098782911.db2.gz ICHAAFDKFQGEAC-KRWDZBQOSA-N 1 0 308.853 3.281 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CCC2(C1)OCCO2 ZINC001178336623 1098785475 /nfs/dbraw/zinc/78/54/75/1098785475.db2.gz MDHQOFOCYWDYIQ-KRWDZBQOSA-N 1 0 316.445 3.062 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235130775 1098827693 /nfs/dbraw/zinc/82/76/93/1098827693.db2.gz XCYBSSASNVRIMG-HNNXBMFYSA-N 1 0 315.244 3.417 20 10 DGCDRO COc1cc(Cl)cc(CN2CCCC[C@]23CCC[NH2+]C3)c1O ZINC001235177515 1098858977 /nfs/dbraw/zinc/85/89/77/1098858977.db2.gz KOAVMIQIAFGKBI-QGZVFWFLSA-N 1 0 324.852 3.162 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CCC[C@@H]3[NH2+]C[C@H]32)cc1Cl ZINC001235308243 1098953292 /nfs/dbraw/zinc/95/32/92/1098953292.db2.gz WHXGUJZJZWLUQO-LSDHHAIUSA-N 1 0 308.853 3.279 20 10 DGCDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179030038 1099005001 /nfs/dbraw/zinc/00/50/01/1099005001.db2.gz XLUDTDZSMQQWFC-QGZVFWFLSA-N 1 0 312.413 3.036 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1C ZINC001179352530 1099066488 /nfs/dbraw/zinc/06/64/88/1099066488.db2.gz FPMVMSNSMHCHFZ-BEIYGRMHSA-N 1 0 301.430 3.297 20 10 DGCDRO Cc1cncc(Br)c1CN(C)Cc1ccccc1O ZINC001235643709 1099107168 /nfs/dbraw/zinc/10/71/68/1099107168.db2.gz XBXYKKMEZRWTJG-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)OCCO3)c(O)c1 ZINC001235681148 1099124391 /nfs/dbraw/zinc/12/43/91/1099124391.db2.gz FZEBXZGVGOZPJK-UHFFFAOYSA-N 1 0 305.418 3.029 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCN3CCCC[C@@H]3C2)c(O)c1 ZINC001235683368 1099126919 /nfs/dbraw/zinc/12/69/19/1099126919.db2.gz DXCBIVSBHUDRQL-QGZVFWFLSA-N 1 0 302.462 3.360 20 10 DGCDRO CC[C@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC[NH2+]1 ZINC001235729635 1099150742 /nfs/dbraw/zinc/15/07/42/1099150742.db2.gz BCKDRDUGPHGLTD-SFHVURJKSA-N 1 0 314.404 3.382 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1c1ccccc1F ZINC001235741352 1099158260 /nfs/dbraw/zinc/15/82/60/1099158260.db2.gz FHMKTXTZWVOOLD-INIZCTEOSA-N 1 0 320.795 3.331 20 10 DGCDRO Nc1ccc(CN2CC[NH2+]C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001235813691 1099192160 /nfs/dbraw/zinc/19/21/60/1099192160.db2.gz HHRDVSGHEYGYNP-KRWDZBQOSA-N 1 0 301.821 3.069 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCNC[C@H]2Cc2ccccc2)c1O ZINC001235853069 1099213167 /nfs/dbraw/zinc/21/31/67/1099213167.db2.gz FMOKCRCWPUPQQF-GOSISDBHSA-N 1 0 310.441 3.026 20 10 DGCDRO Cc1cc(CN2CC[C@@H]([NH3+])C(F)(F)C2)c(C)n1-c1ccccc1 ZINC001235910750 1099253069 /nfs/dbraw/zinc/25/30/69/1099253069.db2.gz BJOCEXJBVZUPMI-QGZVFWFLSA-N 1 0 319.399 3.262 20 10 DGCDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001180006682 1099280464 /nfs/dbraw/zinc/28/04/64/1099280464.db2.gz JDAWURMYAZWXRZ-UHFFFAOYSA-N 1 0 324.852 3.174 20 10 DGCDRO CN(Cc1c(O)ccc(Cl)c1Cl)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219307 1099476188 /nfs/dbraw/zinc/47/61/88/1099476188.db2.gz VDKTVADTWXBAIB-NWDGAFQWSA-N 1 0 303.233 3.401 20 10 DGCDRO CN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220449 1099477971 /nfs/dbraw/zinc/47/79/71/1099477971.db2.gz ZFCHZGNVENKZGW-HZPDHXFCSA-N 1 0 316.445 3.278 20 10 DGCDRO CN(C)c1ccc(CN(C2CC2)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001236241591 1099494891 /nfs/dbraw/zinc/49/48/91/1099494891.db2.gz TUZAZMDCJATHLV-MRXNPFEDSA-N 1 0 307.869 3.122 20 10 DGCDRO [O-]c1c(F)ccc(F)c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373370 1099557716 /nfs/dbraw/zinc/55/77/16/1099557716.db2.gz GWYZFVMTDNRVMB-ZDUSSCGKSA-N 1 0 324.415 3.415 20 10 DGCDRO CCN(CC)c1ccc(CN(C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468764 1099628495 /nfs/dbraw/zinc/62/84/95/1099628495.db2.gz MCOQNHOZHOTVDS-LJQANCHMSA-N 1 0 303.494 3.495 20 10 DGCDRO COc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c([O-])c1Cl ZINC001236471263 1099631658 /nfs/dbraw/zinc/63/16/58/1099631658.db2.gz ZJMVHTDSVWBEAF-CYBMUJFWSA-N 1 0 312.841 3.017 20 10 DGCDRO CC(C)CN(Cc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]C1 ZINC001236477817 1099634964 /nfs/dbraw/zinc/63/49/64/1099634964.db2.gz OKIOMWJDPHRSCN-LJQANCHMSA-N 1 0 315.505 3.279 20 10 DGCDRO CCN(CC)c1ccc(CN(CC[NH3+])Cc2ccccc2)cc1 ZINC001236521958 1099657984 /nfs/dbraw/zinc/65/79/84/1099657984.db2.gz YOEYHDKYHWYKFJ-UHFFFAOYSA-N 1 0 311.473 3.494 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236602513 1099697062 /nfs/dbraw/zinc/69/70/62/1099697062.db2.gz WPXHYNOCLWDUPP-NSHDSACASA-N 1 0 312.816 3.149 20 10 DGCDRO C[N@H+](Cc1ccccc1O)Cc1cc(F)cc2c1OCCC2 ZINC001236630150 1099713626 /nfs/dbraw/zinc/71/36/26/1099713626.db2.gz PLSZSTQTAZJRMJ-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2ccc(C)cc2)cc1OC ZINC001236752414 1099771698 /nfs/dbraw/zinc/77/16/98/1099771698.db2.gz SKAADURBTZYCNP-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO C[C@H]1CCCC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236774272 1099778149 /nfs/dbraw/zinc/77/81/49/1099778149.db2.gz YMQKUDDDHBNDNO-VIFPVBQESA-N 1 0 300.196 3.235 20 10 DGCDRO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c(O)c1 ZINC001236787329 1099785340 /nfs/dbraw/zinc/78/53/40/1099785340.db2.gz KZEQFDHHOPGEBN-HXUWFJFHSA-N 1 0 322.408 3.050 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c(Cl)c1 ZINC001236796964 1099791234 /nfs/dbraw/zinc/79/12/34/1099791234.db2.gz AMDGVLAMVIUVKP-ZBEGNZNMSA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c(Cl)c1 ZINC001236797461 1099791671 /nfs/dbraw/zinc/79/16/71/1099791671.db2.gz FLKUQYMSNIORAU-MRXNPFEDSA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(O)c(CN2CCn3cccc3[C@@H]2C)c(Cl)c1 ZINC001236802843 1099798001 /nfs/dbraw/zinc/79/80/01/1099798001.db2.gz KVDNUNJRLMDRFJ-NSHDSACASA-N 1 0 306.793 3.433 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(O)c1 ZINC001236807261 1099799201 /nfs/dbraw/zinc/79/92/01/1099799201.db2.gz FIVZWXJKZGZDDT-ZWNOBZJWSA-N 1 0 321.314 3.289 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)CCC(=O)c2cccs2)c(O)c1 ZINC001236822013 1099809168 /nfs/dbraw/zinc/80/91/68/1099809168.db2.gz XLUZVVQWCRRIRN-UHFFFAOYSA-N 1 0 319.426 3.476 20 10 DGCDRO COc1cc(C)c(C[NH+]2CC3(C2)CC(F)(F)CS3)c(O)c1 ZINC001236822120 1099809777 /nfs/dbraw/zinc/80/97/77/1099809777.db2.gz YAYXTTSWPKNFJG-UHFFFAOYSA-N 1 0 315.385 3.036 20 10 DGCDRO Oc1cc2ccccc2cc1C[NH+]1CCN(c2cccnc2)CC1 ZINC001236827469 1099812554 /nfs/dbraw/zinc/81/25/54/1099812554.db2.gz SPIADBGIYGVGNF-UHFFFAOYSA-N 1 0 319.408 3.263 20 10 DGCDRO CCOCC[NH+](CCOCC)Cc1cc2ccccc2cc1O ZINC001236833030 1099817115 /nfs/dbraw/zinc/81/71/15/1099817115.db2.gz NAZGGWWNHUDINV-UHFFFAOYSA-N 1 0 317.429 3.420 20 10 DGCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236830784 1099817128 /nfs/dbraw/zinc/81/71/28/1099817128.db2.gz CONONIWTOBALCI-DYVFJYSZSA-N 1 0 313.397 3.176 20 10 DGCDRO CN1CC[N@H+](Cc2cc3ccccc3cc2O)Cc2cccnc21 ZINC001236833729 1099820843 /nfs/dbraw/zinc/82/08/43/1099820843.db2.gz XWLZSZZCOLCBJG-UHFFFAOYSA-N 1 0 319.408 3.392 20 10 DGCDRO O=C1CCCN1C1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236834724 1099820928 /nfs/dbraw/zinc/82/09/28/1099820928.db2.gz BOSIYEFSTHWPFR-UHFFFAOYSA-N 1 0 324.424 3.132 20 10 DGCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc4ccccc4cc3O)C2)O1 ZINC001236834689 1099821303 /nfs/dbraw/zinc/82/13/03/1099821303.db2.gz BBQDBYOFAZOUPT-LJQANCHMSA-N 1 0 311.381 3.217 20 10 DGCDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc3ccccc3cc1O)CC2 ZINC001236834528 1099821634 /nfs/dbraw/zinc/82/16/34/1099821634.db2.gz ZWHCIECAFAFORJ-UHFFFAOYSA-N 1 0 320.392 3.247 20 10 DGCDRO Oc1cc2ccccc2cc1C[NH+]1CCN(Cc2ccco2)CC1 ZINC001236839481 1099823148 /nfs/dbraw/zinc/82/31/48/1099823148.db2.gz GGAZQRXCPLNDLL-UHFFFAOYSA-N 1 0 322.408 3.456 20 10 DGCDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc2ccccc2cc1O ZINC001236836362 1099823365 /nfs/dbraw/zinc/82/33/65/1099823365.db2.gz HCGUGBWINHLXCT-KRWDZBQOSA-N 1 0 301.386 3.175 20 10 DGCDRO CC(C)c1ccc(C[NH+]2CC(N3CCC(F)(F)CC3)C2)c(O)c1 ZINC001237049340 1099944238 /nfs/dbraw/zinc/94/42/38/1099944238.db2.gz NJFOAWUCIOLDSB-UHFFFAOYSA-N 1 0 324.415 3.431 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237050574 1099945438 /nfs/dbraw/zinc/94/54/38/1099945438.db2.gz CLFBULSEIHDSFX-AWEZNQCLSA-N 1 0 305.418 3.291 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC001237056018 1099946935 /nfs/dbraw/zinc/94/69/35/1099946935.db2.gz JZBOIKUBIZQFJL-LLVKDONJSA-N 1 0 307.287 3.267 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCC2(CCO2)CC1 ZINC001237123966 1099982015 /nfs/dbraw/zinc/98/20/15/1099982015.db2.gz VYVNCWMYFMNHBT-UHFFFAOYSA-N 1 0 317.307 3.046 20 10 DGCDRO C[C@]1(O)CCCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237120245 1099982564 /nfs/dbraw/zinc/98/25/64/1099982564.db2.gz OSEFMINLJFQJGC-AWEZNQCLSA-N 1 0 319.323 3.028 20 10 DGCDRO COC1(C)CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237121236 1099982804 /nfs/dbraw/zinc/98/28/04/1099982804.db2.gz WVAOYEHIMPEKIX-UHFFFAOYSA-N 1 0 319.323 3.292 20 10 DGCDRO [NH3+]C[C@H]1CCC(F)(F)CN1Cc1cc2ccccc2cc1O ZINC001237130371 1099986072 /nfs/dbraw/zinc/98/60/72/1099986072.db2.gz DLEIAYDJIMZKFC-OAHLLOKOSA-N 1 0 306.356 3.104 20 10 DGCDRO Cc1c(O)ccc(C[NH+]2CCC3(Cc4ccccc4N3)CC2)c1O ZINC001237343588 1100085772 /nfs/dbraw/zinc/08/57/72/1100085772.db2.gz VQXCSVPEYASTLK-UHFFFAOYSA-N 1 0 324.424 3.409 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237411232 1100116387 /nfs/dbraw/zinc/11/63/87/1100116387.db2.gz DQMVBULQVXYPLW-YGRLFVJLSA-N 1 0 315.244 3.273 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001237482572 1100139802 /nfs/dbraw/zinc/13/98/02/1100139802.db2.gz MJDBFXIDAWLWBN-UHFFFAOYSA-N 1 0 311.425 3.270 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001237493799 1100143073 /nfs/dbraw/zinc/14/30/73/1100143073.db2.gz DZECJJOTNZMJDX-MRXNPFEDSA-N 1 0 324.424 3.047 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001237493210 1100143167 /nfs/dbraw/zinc/14/31/67/1100143167.db2.gz WBWHCQSZUPJUPK-IBGZPJMESA-N 1 0 308.425 3.116 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001237493215 1100143842 /nfs/dbraw/zinc/14/38/42/1100143842.db2.gz WBWHCQSZUPJUPK-LJQANCHMSA-N 1 0 308.425 3.116 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237676445 1100212233 /nfs/dbraw/zinc/21/22/33/1100212233.db2.gz OHYNEZBVYKWFAT-NSHDSACASA-N 1 0 319.323 3.184 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CCC(=O)O3)CC2)c1O ZINC001237686812 1100215179 /nfs/dbraw/zinc/21/51/79/1100215179.db2.gz POJRUZPWWCSRAF-UHFFFAOYSA-N 1 0 309.793 3.026 20 10 DGCDRO CC(C)(C)[NH+]1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237936527 1100296961 /nfs/dbraw/zinc/29/69/61/1100296961.db2.gz KDYFYXCYGJLCQA-UHFFFAOYSA-N 1 0 300.805 3.101 20 10 DGCDRO Cc1cccc(N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)c1 ZINC001238057737 1100344229 /nfs/dbraw/zinc/34/42/29/1100344229.db2.gz LYECABVASAJELZ-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1O ZINC001238061441 1100345412 /nfs/dbraw/zinc/34/54/12/1100345412.db2.gz MUGDFJQIBUYPFG-ZWKOTPCHSA-N 1 0 315.388 3.018 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c1O ZINC001238068544 1100348383 /nfs/dbraw/zinc/34/83/83/1100348383.db2.gz ZNRWJEREALFXSX-KRWDZBQOSA-N 1 0 316.376 3.278 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c1O ZINC001238068545 1100348849 /nfs/dbraw/zinc/34/88/49/1100348849.db2.gz ZNRWJEREALFXSX-QGZVFWFLSA-N 1 0 316.376 3.278 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CCO)C2CCCC2)cc1 ZINC001203831777 1101263767 /nfs/dbraw/zinc/26/37/67/1101263767.db2.gz YFZCNMSAYDJARL-ZMBJWTFHSA-N 1 0 302.462 3.297 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(F)cc1F ZINC001197004412 1101454769 /nfs/dbraw/zinc/45/47/69/1101454769.db2.gz QVWBZTPJYPNPIB-WDEREUQCSA-N 1 0 320.339 3.348 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cn1 ZINC001241777007 1101699260 /nfs/dbraw/zinc/69/92/60/1101699260.db2.gz ZIQNARYZBSMZKB-UHFFFAOYSA-N 1 0 321.428 3.277 20 10 DGCDRO c1ccc(CN2CC[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)cc1 ZINC001199013625 1102050462 /nfs/dbraw/zinc/05/04/62/1102050462.db2.gz NRCGMLSEFHBDKV-FQEVSTJZSA-N 1 0 322.452 3.376 20 10 DGCDRO COC[C@]1(C)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000691732326 1102085963 /nfs/dbraw/zinc/08/59/63/1102085963.db2.gz FRDBODPZBLYCAO-CQSZACIVSA-N 1 0 314.223 3.013 20 10 DGCDRO Cc1cccn2c(C[NH2+]Cc3ccc(N(C)C)c(F)c3)cnc12 ZINC001199866333 1102237282 /nfs/dbraw/zinc/23/72/82/1102237282.db2.gz YWDAMYFCZNMQFI-UHFFFAOYSA-N 1 0 312.392 3.138 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC001200972190 1102451606 /nfs/dbraw/zinc/45/16/06/1102451606.db2.gz WKPNPGMTHUORIB-IPMKNSEASA-N 1 0 300.446 3.334 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686281610 1103041161 /nfs/dbraw/zinc/04/11/61/1103041161.db2.gz VYSFQCFYPWEOKN-OLZOCXBDSA-N 1 0 320.433 3.298 20 10 DGCDRO c1cnn(-c2cc[nH+]cc2NCc2ccc(N3CCCC3)cc2)c1 ZINC001325648021 1103092039 /nfs/dbraw/zinc/09/20/39/1103092039.db2.gz VKDFIASMJUGHDM-UHFFFAOYSA-N 1 0 319.412 3.480 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CC(C)C)C2)cc1C ZINC001488705809 1103134487 /nfs/dbraw/zinc/13/44/87/1103134487.db2.gz VJZBSHNHGKMNOS-CALCHBBNSA-N 1 0 318.461 3.034 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2nc(C(C)C)no2)c(O)c1 ZINC001326282651 1103255318 /nfs/dbraw/zinc/25/53/18/1103255318.db2.gz GRXZEBKKVJHDAX-ZDUSSCGKSA-N 1 0 303.406 3.409 20 10 DGCDRO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001327893642 1103757771 /nfs/dbraw/zinc/75/77/71/1103757771.db2.gz WIGFZRQRPVOSJU-IBGZPJMESA-N 1 0 301.478 3.251 20 10 DGCDRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)C1=CC(=O)CS1 ZINC001328492313 1103967675 /nfs/dbraw/zinc/96/76/75/1103967675.db2.gz RPQCDFZHRZISJT-UHFFFAOYSA-N 1 0 302.399 3.302 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC2(CCO)CCCC2)cc1F ZINC001328690116 1104022381 /nfs/dbraw/zinc/02/23/81/1104022381.db2.gz UVFZCYPLQQCPDR-UHFFFAOYSA-N 1 0 312.404 3.063 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1F ZINC001328701050 1104025969 /nfs/dbraw/zinc/02/59/69/1104025969.db2.gz AIVPOYDQMPYZBW-DYVFJYSZSA-N 1 0 310.388 3.078 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1F ZINC001328701052 1104026252 /nfs/dbraw/zinc/02/62/52/1104026252.db2.gz AIVPOYDQMPYZBW-SUMWQHHRSA-N 1 0 310.388 3.078 20 10 DGCDRO Cc1cc(O)c(CN2CCO[C@@](C)(C(F)F)C2)cc1Cl ZINC001330434201 1104552283 /nfs/dbraw/zinc/55/22/83/1104552283.db2.gz HQHSZXYXKGBBRI-CQSZACIVSA-N 1 0 305.752 3.210 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)F)cc1C ZINC001330723659 1104631859 /nfs/dbraw/zinc/63/18/59/1104631859.db2.gz AMDRHLTUHHYRGQ-CQSZACIVSA-N 1 0 324.440 3.126 20 10 DGCDRO Cc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c1 ZINC001275311701 1104718167 /nfs/dbraw/zinc/71/81/67/1104718167.db2.gz JWQCXWCKJVLNOS-HDICACEKSA-N 1 0 300.446 3.292 20 10 DGCDRO Cc1cc(CN2CC3(C2)C[NH+](C2CCCC2)C3)ccc1N(C)C ZINC001275360538 1104736538 /nfs/dbraw/zinc/73/65/38/1104736538.db2.gz AWCVIWUEHUSMJM-UHFFFAOYSA-N 1 0 313.489 3.121 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC3(CN(C)C3)C2)c2ccccc21 ZINC001275938431 1104962565 /nfs/dbraw/zinc/96/25/65/1104962565.db2.gz SLPAXNFEGHMJSB-UHFFFAOYSA-N 1 0 323.484 3.433 20 10 DGCDRO Cc1ccc(C)c(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)c1O ZINC001275968735 1104971419 /nfs/dbraw/zinc/97/14/19/1104971419.db2.gz KKPHSVWFWUAEQI-UHFFFAOYSA-N 1 0 314.473 3.459 20 10 DGCDRO Cc1ncc(Br)cc1C[N@H+](C)Cc1ccccc1O ZINC001248781702 1105161233 /nfs/dbraw/zinc/16/12/33/1105161233.db2.gz WGJYYJJKNCKUFO-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO CC[N@H+](Cc1cnn2ccc(Cl)nc12)Cc1ccccc1O ZINC001248881423 1105185752 /nfs/dbraw/zinc/18/57/52/1105185752.db2.gz YLHAVUHBKGKXKD-UHFFFAOYSA-N 1 0 316.792 3.110 20 10 DGCDRO CCCC1CC[NH+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249201237 1105245938 /nfs/dbraw/zinc/24/59/38/1105245938.db2.gz LQESKZBLDAIYQE-UHFFFAOYSA-N 1 0 305.418 3.120 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)[C@@H]1CO ZINC001249223612 1105249561 /nfs/dbraw/zinc/24/95/61/1105249561.db2.gz JRGGNYVHBDPGNV-CZUORRHYSA-N 1 0 317.429 3.169 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C1CCOCC1 ZINC001249224187 1105249612 /nfs/dbraw/zinc/24/96/12/1105249612.db2.gz UGAIQIXXTZEDTO-UHFFFAOYSA-N 1 0 303.402 3.187 20 10 DGCDRO C[N@H+](Cc1ccno1)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249258162 1105258569 /nfs/dbraw/zinc/25/85/69/1105258569.db2.gz FIWBZFUBJKZJLY-UHFFFAOYSA-N 1 0 300.358 3.196 20 10 DGCDRO COc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c([O-])c1Cl ZINC001206574184 1105440917 /nfs/dbraw/zinc/44/09/17/1105440917.db2.gz QCAKBYWXLWNQOY-INIZCTEOSA-N 1 0 312.841 3.005 20 10 DGCDRO CO[C@H]1CCC[N@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001250120607 1105446103 /nfs/dbraw/zinc/44/61/03/1105446103.db2.gz KMNCFXPRQXEOEH-LBPRGKRZSA-N 1 0 314.223 3.074 20 10 DGCDRO CN(C)c1ccc(Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001250432121 1105514873 /nfs/dbraw/zinc/51/48/73/1105514873.db2.gz VSZWSRDRCDLRGO-UHFFFAOYSA-N 1 0 309.457 3.095 20 10 DGCDRO CN(C)c1ccc(CC2=CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001250434899 1105515074 /nfs/dbraw/zinc/51/50/74/1105515074.db2.gz QFLAWOJJVUNWGG-IBGZPJMESA-N 1 0 300.446 3.106 20 10 DGCDRO CCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001491049907 1105742595 /nfs/dbraw/zinc/74/25/95/1105742595.db2.gz DDFLGSFTGDUECJ-IYBDPMFKSA-N 1 0 318.461 3.177 20 10 DGCDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001254027831 1106011873 /nfs/dbraw/zinc/01/18/73/1106011873.db2.gz MZWZWUFOGJGHRV-UHFFFAOYSA-N 1 0 318.461 3.450 20 10 DGCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](C)c1ccccc1O)C2 ZINC001255182335 1106201420 /nfs/dbraw/zinc/20/14/20/1106201420.db2.gz DTTLVPZUQCXXCG-APIJFGDWSA-N 1 0 318.417 3.195 20 10 DGCDRO C[NH+]1CCN(c2ccc(C[NH2+]C3CCC(C)(C)CC3)cc2)CC1 ZINC001255297744 1106218361 /nfs/dbraw/zinc/21/83/61/1106218361.db2.gz XHKYPTQWNGTFSC-UHFFFAOYSA-N 1 0 315.505 3.497 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001255682671 1106293391 /nfs/dbraw/zinc/29/33/91/1106293391.db2.gz KEJDTJPOFKHQKZ-DFNIBXOVSA-N 1 0 301.478 3.200 20 10 DGCDRO Oc1ccc(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1O ZINC001255690087 1106295588 /nfs/dbraw/zinc/29/55/88/1106295588.db2.gz PVISJCOKDLZDFB-NWDGAFQWSA-N 1 0 303.324 3.351 20 10 DGCDRO Oc1ccc(CC[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1O ZINC001256789254 1106483262 /nfs/dbraw/zinc/48/32/62/1106483262.db2.gz HCZDMTRUVMNQLX-VQIMIIECSA-N 1 0 313.397 3.150 20 10 DGCDRO COC(=O)CC1CCC([NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001256978849 1106519941 /nfs/dbraw/zinc/51/99/41/1106519941.db2.gz DTQZZTRVBWNUNX-UHFFFAOYSA-N 1 0 305.418 3.221 20 10 DGCDRO CCCCOC(=O)CC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001257377753 1106576721 /nfs/dbraw/zinc/57/67/21/1106576721.db2.gz DXIQXZRTNVFZNY-CQSZACIVSA-N 1 0 305.418 3.223 20 10 DGCDRO CCCCC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001257501666 1106598800 /nfs/dbraw/zinc/59/88/00/1106598800.db2.gz KDHVAEBEEOFSHO-QGZVFWFLSA-N 1 0 303.494 3.497 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H]3CCCSC3)CC2)c(C)c1 ZINC001257680629 1106620645 /nfs/dbraw/zinc/62/06/45/1106620645.db2.gz CBJXOFWLGVZDTA-OAHLLOKOSA-N 1 0 306.475 3.021 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257967583 1106652816 /nfs/dbraw/zinc/65/28/16/1106652816.db2.gz CGMYRUYBFWUMOJ-OAHLLOKOSA-N 1 0 303.789 3.481 20 10 DGCDRO CCOC(=O)CC1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC001258026945 1106661438 /nfs/dbraw/zinc/66/14/38/1106661438.db2.gz RWNAHQPCSXVGDD-UHFFFAOYSA-N 1 0 305.418 3.302 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc(N(C)C)cc1)c1cc(F)ccc1O ZINC001320119235 1106885736 /nfs/dbraw/zinc/88/57/36/1106885736.db2.gz YICDRMXSQGATFV-CYBMUJFWSA-N 1 0 302.393 3.491 20 10 DGCDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC001320493881 1107025263 /nfs/dbraw/zinc/02/52/63/1107025263.db2.gz FFYJMKOJTFKTCS-AWEZNQCLSA-N 1 0 315.413 3.472 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC001320578533 1107060265 /nfs/dbraw/zinc/06/02/65/1107060265.db2.gz MNDCJLYCVLODOH-KRWDZBQOSA-N 1 0 317.429 3.189 20 10 DGCDRO CCC(C)(C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321104572 1107249583 /nfs/dbraw/zinc/24/95/83/1107249583.db2.gz GXWLUFIJYXNZLU-UHFFFAOYSA-N 1 0 307.457 3.103 20 10 DGCDRO CCC[C@@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321813033 1107439315 /nfs/dbraw/zinc/43/93/15/1107439315.db2.gz AVYODEHRALWTSF-HIFRSBDPSA-N 1 0 306.450 3.034 20 10 DGCDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001321865803 1107453033 /nfs/dbraw/zinc/45/30/33/1107453033.db2.gz ABQBGYKHNXUXOG-ZWKOTPCHSA-N 1 0 316.445 3.108 20 10 DGCDRO COc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c(O)c1OC ZINC001262357185 1107687228 /nfs/dbraw/zinc/68/72/28/1107687228.db2.gz BSCHMLKRCRXYGM-CHWSQXEVSA-N 1 0 311.447 3.125 20 10 DGCDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000378924160 1108003767 /nfs/dbraw/zinc/00/37/67/1108003767.db2.gz RHNQLUCLWMHECD-KRWDZBQOSA-N 1 0 301.478 3.251 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1O ZINC000380076496 1108053990 /nfs/dbraw/zinc/05/39/90/1108053990.db2.gz IKGGTPKBCIOBGA-VIFPVBQESA-N 1 0 309.715 3.438 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCNC(=O)C1CCC1 ZINC001323830798 1108097811 /nfs/dbraw/zinc/09/78/11/1108097811.db2.gz TZGKOPOJOZXLRX-UKRRQHHQSA-N 1 0 316.445 3.145 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC[S@@](=O)C(C)(C)C ZINC001323829960 1108098492 /nfs/dbraw/zinc/09/84/92/1108098492.db2.gz AUSOZHZXDAGDGA-RRMDADRESA-N 1 0 309.475 3.386 20 10 DGCDRO COC(=O)C[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)C(C)(C)C ZINC001474725041 1108134354 /nfs/dbraw/zinc/13/43/54/1108134354.db2.gz ARFZAOTVBMAGEY-AWEZNQCLSA-N 1 0 313.825 3.421 20 10 DGCDRO CC/C=C(\C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319428285 1108460026 /nfs/dbraw/zinc/46/00/26/1108460026.db2.gz GZIFNQWCRQHUKN-FCONWMNKSA-N 1 0 318.461 3.296 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3CCO[C@H](C)C3)CC2)cc1 ZINC001324795087 1108466877 /nfs/dbraw/zinc/46/68/77/1108466877.db2.gz GJMKPDDKCJNHOE-IAGOWNOFSA-N 1 0 318.461 3.022 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCC[C@@H]3C1)CCCC2 ZINC001319687767 1108595479 /nfs/dbraw/zinc/59/54/79/1108595479.db2.gz RVROMPLYGRKNNI-APWZRJJASA-N 1 0 301.430 3.272 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001319838154 1108659003 /nfs/dbraw/zinc/65/90/03/1108659003.db2.gz ZJLYIYUAZBNIHX-UHFFFAOYSA-N 1 0 305.418 3.230 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001319947862 1108709366 /nfs/dbraw/zinc/70/93/66/1108709366.db2.gz PGLXLFFMQWMMQN-UHFFFAOYSA-N 1 0 316.445 3.204 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC(C)(C)C)cc1C ZINC001283572656 1109655820 /nfs/dbraw/zinc/65/58/20/1109655820.db2.gz NLJBJOGRQMDSDE-HNNXBMFYSA-N 1 0 320.477 3.376 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)C2CC2)C(C)(C)C)cc1C ZINC001284563028 1109812892 /nfs/dbraw/zinc/81/28/92/1109812892.db2.gz WOKSAUXRSJITLU-KRWDZBQOSA-N 1 0 318.461 3.034 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)cc1C ZINC001333321835 1110120625 /nfs/dbraw/zinc/12/06/25/1110120625.db2.gz ONKUKZQHEQIHDP-CYBMUJFWSA-N 1 0 305.340 3.187 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(O)CCCCCC2)cc1 ZINC001308279009 1111409849 /nfs/dbraw/zinc/40/98/49/1111409849.db2.gz INXISGYTJXMSKI-BQYQJAHWSA-N 1 0 302.462 3.441 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc1F ZINC001308601753 1111450094 /nfs/dbraw/zinc/45/00/94/1111450094.db2.gz OJHVICQWJXHXAP-UHFFFAOYSA-N 1 0 311.303 3.450 20 10 DGCDRO CN(C)c1cc(F)c(CN2CC(C)(C)OCC2(C)C)cc1F ZINC001308605250 1111450241 /nfs/dbraw/zinc/45/02/41/1111450241.db2.gz JSNUHJAWMISRDD-UHFFFAOYSA-N 1 0 312.404 3.420 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC001308723262 1111466152 /nfs/dbraw/zinc/46/61/52/1111466152.db2.gz OZJADXWKZMFYNB-QGZVFWFLSA-N 1 0 304.478 3.339 20 10 DGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(C)cc2O)o1 ZINC001308740873 1111468190 /nfs/dbraw/zinc/46/81/90/1111468190.db2.gz NDKLQSAINKHLEP-UHFFFAOYSA-N 1 0 302.418 3.166 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC001308797961 1111476508 /nfs/dbraw/zinc/47/65/08/1111476508.db2.gz MQKLNIIILOCDNB-APWZRJJASA-N 1 0 313.397 3.100 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001308813224 1111478523 /nfs/dbraw/zinc/47/85/23/1111478523.db2.gz LOVRFWQLOAWEMZ-JKSUJKDBSA-N 1 0 309.837 3.419 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1O)[C@@](C)(O)c1ccccc1 ZINC001308845888 1111484113 /nfs/dbraw/zinc/48/41/13/1111484113.db2.gz MLZXVQYUJVLVGJ-YVEFUNNKSA-N 1 0 305.805 3.431 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC001308904080 1111491185 /nfs/dbraw/zinc/49/11/85/1111491185.db2.gz NWTFSVAEBXRFIZ-CQSZACIVSA-N 1 0 321.461 3.291 20 10 DGCDRO O=C(C[NH2+]Cc1cc(F)ccc1O)Nc1cccc2ccccc21 ZINC001308921648 1111494417 /nfs/dbraw/zinc/49/44/17/1111494417.db2.gz FOLGDDIKCZFTRR-UHFFFAOYSA-N 1 0 324.355 3.413 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC001308932031 1111495681 /nfs/dbraw/zinc/49/56/81/1111495681.db2.gz DTASPILRUOAJRY-UHFFFAOYSA-N 1 0 315.373 3.340 20 10 DGCDRO CC[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(N(C)C)cc1 ZINC000090184828 185286297 /nfs/dbraw/zinc/28/62/97/185286297.db2.gz QAZDXMXXYKXCGN-SFHVURJKSA-N 1 0 317.477 3.100 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)C(C)C)c1cc(Br)ccc1O ZINC000092393355 185315668 /nfs/dbraw/zinc/31/56/68/185315668.db2.gz ABVIQBQGHNNLLJ-QWHCGFSZSA-N 1 0 316.239 3.212 20 10 DGCDRO CN(C)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccsc1 ZINC000295912032 282250179 /nfs/dbraw/zinc/25/01/79/282250179.db2.gz JFZFPAGGKSMWDZ-LSDHHAIUSA-N 1 0 302.443 3.334 20 10 DGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cccc(OC)c3O)C2)cc1 ZINC000092783463 185340914 /nfs/dbraw/zinc/34/09/14/185340914.db2.gz LTBOUXSJMKWPPG-OAHLLOKOSA-N 1 0 313.397 3.399 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000103854867 432013104 /nfs/dbraw/zinc/01/31/04/432013104.db2.gz SMJAYUHPBKNGAA-UHFFFAOYSA-N 1 0 310.441 3.455 20 10 DGCDRO C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000165077981 432053822 /nfs/dbraw/zinc/05/38/22/432053822.db2.gz GLZYNADUZCBVIS-HNNXBMFYSA-N 1 0 317.477 3.052 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000179429440 432057921 /nfs/dbraw/zinc/05/79/21/432057921.db2.gz AIQPCNSPOAJBAU-GOSISDBHSA-N 1 0 301.361 3.413 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccccc2COC)c1O ZINC000236951671 202089227 /nfs/dbraw/zinc/08/92/27/202089227.db2.gz KGBZVNMGMCGSFE-UHFFFAOYSA-N 1 0 301.386 3.227 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000166606526 432061730 /nfs/dbraw/zinc/06/17/30/432061730.db2.gz DCUIXZLUPVLNKX-HSALFYBXSA-N 1 0 310.441 3.452 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000179718734 432068376 /nfs/dbraw/zinc/06/83/76/432068376.db2.gz IWVPWXDWBPHROD-QGZVFWFLSA-N 1 0 301.361 3.413 20 10 DGCDRO CCCOc1ccc(CN2CCC([NH2+]C(C)C)CC2)c(O)c1 ZINC000179836353 432071896 /nfs/dbraw/zinc/07/18/96/432071896.db2.gz YKPVTHASBIETQM-UHFFFAOYSA-N 1 0 306.450 3.143 20 10 DGCDRO CCN(CC)c1ncc(C[N@H+](C)Cc2ccccc2O)s1 ZINC000091956441 193131954 /nfs/dbraw/zinc/13/19/54/193131954.db2.gz JEMDMFPICDGDKR-UHFFFAOYSA-N 1 0 305.447 3.327 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCC(C(=O)NC)CC2)cc1 ZINC000268809879 432139131 /nfs/dbraw/zinc/13/91/31/432139131.db2.gz AROBXNGCRSMQLS-OOHWJJMZSA-N 1 0 317.477 3.098 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(N(C)C)cc1 ZINC000268853133 432145131 /nfs/dbraw/zinc/14/51/31/432145131.db2.gz CEVDCHZHGTXHHF-HNNXBMFYSA-N 1 0 321.428 3.184 20 10 DGCDRO CC[C@@H]([NH2+]CCn1ccnc1)c1cc(Br)ccc1O ZINC000041119164 183166782 /nfs/dbraw/zinc/16/67/82/183166782.db2.gz RRNLDRJUTVIHND-CYBMUJFWSA-N 1 0 324.222 3.092 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCN(c3ccccc3F)C1)CC2 ZINC000297388445 285396736 /nfs/dbraw/zinc/39/67/36/285396736.db2.gz RPBTXZFQGYAODD-HOCLYGCPSA-N 1 0 312.388 3.387 20 10 DGCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@H]1OCCc2ccccc21 ZINC000272230410 130011086 /nfs/dbraw/zinc/01/10/86/130011086.db2.gz DPWQEAOTXNQYKR-GOSISDBHSA-N 1 0 301.361 3.277 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000272462641 130033094 /nfs/dbraw/zinc/03/30/94/130033094.db2.gz QVCFHYSKTQOKRM-LBPRGKRZSA-N 1 0 317.364 3.171 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(Br)ccc1O ZINC000273370069 130113018 /nfs/dbraw/zinc/11/30/18/130113018.db2.gz CGFGKKUGHZIVLL-SNVBAGLBSA-N 1 0 309.207 3.344 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c(O)c1 ZINC000273405882 130117185 /nfs/dbraw/zinc/11/71/85/130117185.db2.gz OJUCXYQBZZGBHK-AWEZNQCLSA-N 1 0 312.413 3.253 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000273415883 130118423 /nfs/dbraw/zinc/11/84/23/130118423.db2.gz QXEPICARAHCEKL-KSSFIOAISA-N 1 0 315.413 3.402 20 10 DGCDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000273418005 130118440 /nfs/dbraw/zinc/11/84/40/130118440.db2.gz RHUIQCZAPVKHAQ-OAHLLOKOSA-N 1 0 312.413 3.090 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCC2)c(O)c1C ZINC000273427575 130120908 /nfs/dbraw/zinc/12/09/08/130120908.db2.gz URQHDYILTRSKPZ-HNNXBMFYSA-N 1 0 304.434 3.062 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c(O)c1 ZINC000273481197 130126453 /nfs/dbraw/zinc/12/64/53/130126453.db2.gz MBKJQBDLDFIWMX-QAPCUYQASA-N 1 0 324.424 3.152 20 10 DGCDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273515484 130131066 /nfs/dbraw/zinc/13/10/66/130131066.db2.gz SNAFOIGHPOVSJS-SECBINFHSA-N 1 0 310.195 3.037 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(Br)cc1O ZINC000273522849 130132522 /nfs/dbraw/zinc/13/25/22/130132522.db2.gz UQJAPYAGIBGWEF-FOGDFJRCSA-N 1 0 314.223 3.373 20 10 DGCDRO COCCCN1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273563836 130136559 /nfs/dbraw/zinc/13/65/59/130136559.db2.gz IVZDIBCKGLEEAM-INIZCTEOSA-N 1 0 320.477 3.161 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cc(Cl)ccc1O ZINC000273563829 130137621 /nfs/dbraw/zinc/13/76/21/130137621.db2.gz IVNMBXULYSTONU-XHDPSFHLSA-N 1 0 314.882 3.134 20 10 DGCDRO C[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(Br)cc1O ZINC000273567896 130138988 /nfs/dbraw/zinc/13/89/88/130138988.db2.gz JYDRPIHFZKZUGY-JTQLQIEISA-N 1 0 309.207 3.344 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000273608574 130142903 /nfs/dbraw/zinc/14/29/03/130142903.db2.gz UYZVWMJTJVMGPJ-GFCCVEGCSA-N 1 0 316.357 3.202 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000273607979 130143118 /nfs/dbraw/zinc/14/31/18/130143118.db2.gz UWYFWZQTJJMDPG-ZDUSSCGKSA-N 1 0 304.434 3.068 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)[C@@]12CCCO2 ZINC000274146207 130210876 /nfs/dbraw/zinc/21/08/76/130210876.db2.gz DSXYHJBVZXATLG-RNJTYBCJSA-N 1 0 305.418 3.078 20 10 DGCDRO CCC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](O)c1ccccc1 ZINC000279635311 130755165 /nfs/dbraw/zinc/75/51/65/130755165.db2.gz IPONGNXJFLOLFD-HKUYNNGSSA-N 1 0 315.413 3.393 20 10 DGCDRO CNC(=O)c1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284242694 131063122 /nfs/dbraw/zinc/06/31/22/131063122.db2.gz VEODBZRULFBINQ-CQSZACIVSA-N 1 0 312.413 3.219 20 10 DGCDRO CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1[O-] ZINC000286342029 131231181 /nfs/dbraw/zinc/23/11/81/131231181.db2.gz YIYFAZODUJSCAP-QGZVFWFLSA-N 1 0 306.425 3.446 20 10 DGCDRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc2ccccc2c1O ZINC000287481143 131282574 /nfs/dbraw/zinc/28/25/74/131282574.db2.gz MUQZGYKGJUBKHI-CQSZACIVSA-N 1 0 315.413 3.128 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1F ZINC000287729725 131298183 /nfs/dbraw/zinc/29/81/83/131298183.db2.gz PBFYTKJCQPCQDW-BXUZGUMPSA-N 1 0 320.330 3.091 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCCSC2)ccc1OC ZINC000288357196 131321805 /nfs/dbraw/zinc/32/18/05/131321805.db2.gz CQFKIGQEIPMRIU-OAHLLOKOSA-N 1 0 309.475 3.465 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c1O ZINC000289431293 131385205 /nfs/dbraw/zinc/38/52/05/131385205.db2.gz KSQBAICHYWFMKX-ZDUSSCGKSA-N 1 0 308.381 3.139 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1O ZINC000289998100 131442107 /nfs/dbraw/zinc/44/21/07/131442107.db2.gz CTPCGJNNOVKRAO-BDJLRTHQSA-N 1 0 321.804 3.266 20 10 DGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]CC1CC1 ZINC000066973576 134832674 /nfs/dbraw/zinc/83/26/74/134832674.db2.gz AWELVVKIAQMJQC-UHFFFAOYSA-N 1 0 314.351 3.042 20 10 DGCDRO CNC(=O)CCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093717638 400253263 /nfs/dbraw/zinc/25/32/63/400253263.db2.gz WRVOELUHEPJDIK-UHFFFAOYSA-N 1 0 312.413 3.017 20 10 DGCDRO CCC[N@H+](Cc1cnc(N(C)C)s1)Cc1ccccc1O ZINC000092705012 400196657 /nfs/dbraw/zinc/19/66/57/400196657.db2.gz LVWNYEWXBBGXOH-UHFFFAOYSA-N 1 0 305.447 3.327 20 10 DGCDRO CC[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(N(C)C)cc1 ZINC000281104320 286904946 /nfs/dbraw/zinc/90/49/46/286904946.db2.gz QYVQAEZPFCJUNM-IERDGZPVSA-N 1 0 308.491 3.095 20 10 DGCDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000269011032 432150884 /nfs/dbraw/zinc/15/08/84/432150884.db2.gz MSUJEINPFGLYLH-FUHWJXTLSA-N 1 0 320.477 3.115 20 10 DGCDRO Cc1noc(C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)n1 ZINC000179756297 228353230 /nfs/dbraw/zinc/35/32/30/228353230.db2.gz NEIJUYCORBODEZ-UHFFFAOYSA-N 1 0 321.808 3.425 20 10 DGCDRO C[C@H]([NH2+]CC1CCOCC1)c1ccc(Br)cc1O ZINC000185261521 228391157 /nfs/dbraw/zinc/39/11/57/228391157.db2.gz ZOKDUBZSYGSZPC-JTQLQIEISA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000151447404 432246896 /nfs/dbraw/zinc/24/68/96/432246896.db2.gz XFCZQVMAIJKXLW-HNNXBMFYSA-N 1 0 321.428 3.184 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000270485221 432251857 /nfs/dbraw/zinc/25/18/57/432251857.db2.gz KDCMPCQNPXBOIT-HNNXBMFYSA-N 1 0 316.367 3.080 20 10 DGCDRO CC[C@H](COC)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185503765 287889886 /nfs/dbraw/zinc/88/98/86/287889886.db2.gz NQUAIERDFWLYAS-GXSJLCMTSA-N 1 0 302.212 3.230 20 10 DGCDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000184292345 278219283 /nfs/dbraw/zinc/21/92/83/278219283.db2.gz WSQMBPDCSKALRN-WIEQDCTASA-N 1 0 308.491 3.095 20 10 DGCDRO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccccc1O ZINC000111235291 431201809 /nfs/dbraw/zinc/20/18/09/431201809.db2.gz VNJBQOYCMVUHFC-HXUWFJFHSA-N 1 0 324.424 3.092 20 10 DGCDRO Cc1ccsc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000069672855 431209253 /nfs/dbraw/zinc/20/92/53/431209253.db2.gz FGMUMWJPDLUMDO-UHFFFAOYSA-N 1 0 302.443 3.183 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000001461282 431230561 /nfs/dbraw/zinc/23/05/61/431230561.db2.gz QVCOJNSOQPFNPA-OAHLLOKOSA-N 1 0 313.397 3.321 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000072670514 431341922 /nfs/dbraw/zinc/34/19/22/431341922.db2.gz YFNYGFHKNJXXHC-GOSISDBHSA-N 1 0 313.445 3.272 20 10 DGCDRO O=C(NCCC[NH2+]Cc1c(O)cccc1Cl)c1cccs1 ZINC000113354268 431346537 /nfs/dbraw/zinc/34/65/37/431346537.db2.gz YWHHDARSZCKROY-UHFFFAOYSA-N 1 0 324.833 3.017 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C1(c3nccs3)CCCC1)OCO2 ZINC000116374137 431507136 /nfs/dbraw/zinc/50/71/36/431507136.db2.gz CULVBUGEUITZCC-UHFFFAOYSA-N 1 0 318.398 3.137 20 10 DGCDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273606647 280233753 /nfs/dbraw/zinc/23/37/53/280233753.db2.gz UFXLIVDFNKWJNJ-MFKMUULPSA-N 1 0 316.239 3.212 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1C ZINC000122031489 431810021 /nfs/dbraw/zinc/81/00/21/431810021.db2.gz CIGUSYWBRCSWEZ-SFHVURJKSA-N 1 0 324.424 3.072 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3ncccc3C)CC2)cc1 ZINC000093159615 431913613 /nfs/dbraw/zinc/91/36/13/431913613.db2.gz WVFBOZLAZIJILP-UHFFFAOYSA-N 1 0 311.429 3.111 20 10 DGCDRO CCCOc1ccc(C[N@H+](C)CCc2nccs2)c(O)c1 ZINC000093844015 431919158 /nfs/dbraw/zinc/91/91/58/431919158.db2.gz ZNCOCUICZAOFME-UHFFFAOYSA-N 1 0 306.431 3.312 20 10 DGCDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000123847364 431876445 /nfs/dbraw/zinc/87/64/45/431876445.db2.gz JPTNQXAQUMSWJR-CQSZACIVSA-N 1 0 319.449 3.024 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1 ZINC000090802184 431896014 /nfs/dbraw/zinc/89/60/14/431896014.db2.gz IETGWHRXZMDIKR-WBVHZDCISA-N 1 0 310.445 3.077 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000090803151 431896032 /nfs/dbraw/zinc/89/60/32/431896032.db2.gz DZCABWOLSWSRAI-FUHWJXTLSA-N 1 0 324.472 3.467 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccccc1O ZINC000183371561 432287104 /nfs/dbraw/zinc/28/71/04/432287104.db2.gz PBGGBFNWVPBAJG-CXAGYDPISA-N 1 0 302.393 3.485 20 10 DGCDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183459418 432295503 /nfs/dbraw/zinc/29/55/03/432295503.db2.gz FJDMMSXFNYTMEX-CYBMUJFWSA-N 1 0 301.386 3.303 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000061361029 432001645 /nfs/dbraw/zinc/00/16/45/432001645.db2.gz JMSDQKPMJMCBPM-AWEZNQCLSA-N 1 0 302.443 3.436 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000270606068 432263365 /nfs/dbraw/zinc/26/33/65/432263365.db2.gz BRSAUIUNORJHCH-WMLDXEAASA-N 1 0 307.434 3.474 20 10 DGCDRO CCn1nccc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000271050801 432323040 /nfs/dbraw/zinc/32/30/40/432323040.db2.gz AFSZWXNBNUODSP-UHFFFAOYSA-N 1 0 300.450 3.380 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192037499 432326629 /nfs/dbraw/zinc/32/66/29/432326629.db2.gz MXPHMPYPEZHEAS-KSSFIOAISA-N 1 0 301.361 3.399 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cccc(OC)c2O)cc(OC)c1 ZINC000271083360 432328136 /nfs/dbraw/zinc/32/81/36/432328136.db2.gz XPWNLJHVHFLVQD-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2ccccc2)cc1OC ZINC000271116601 432332594 /nfs/dbraw/zinc/33/25/94/432332594.db2.gz WGCIAHWPJXCCAJ-UHFFFAOYSA-N 1 0 301.386 3.434 20 10 DGCDRO CCC1(O)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271194155 432350810 /nfs/dbraw/zinc/35/08/10/432350810.db2.gz MVBKQEQGKXWYOB-UHFFFAOYSA-N 1 0 302.462 3.414 20 10 DGCDRO CCN(CC)c1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000174515380 432353611 /nfs/dbraw/zinc/35/36/11/432353611.db2.gz DWQDAIPIKVNASQ-ZBFHGGJFSA-N 1 0 307.457 3.244 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000271440196 432395065 /nfs/dbraw/zinc/39/50/65/432395065.db2.gz RRJKIRJDOURHAF-HIFRSBDPSA-N 1 0 320.433 3.127 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000184948799 432447153 /nfs/dbraw/zinc/44/71/53/432447153.db2.gz KQTVFQDLGZFMBV-FZKQIMNGSA-N 1 0 301.386 3.093 20 10 DGCDRO C[C@H]([NH2+]CCc1cccnc1)c1cc(Br)ccc1O ZINC000184980134 432453021 /nfs/dbraw/zinc/45/30/21/432453021.db2.gz OIVYIWSQUBVKES-NSHDSACASA-N 1 0 321.218 3.443 20 10 DGCDRO CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000271585201 432419648 /nfs/dbraw/zinc/41/96/48/432419648.db2.gz XLBRLIFFENRVPS-KBPBESRZSA-N 1 0 304.356 3.107 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1O ZINC000184678776 432419683 /nfs/dbraw/zinc/41/96/83/432419683.db2.gz GHPKQMKDSUILKR-NSHDSACASA-N 1 0 311.809 3.055 20 10 DGCDRO CC[N@H+](Cc1ccccn1)Cc1cc(Cl)cc(OC)c1O ZINC000184692986 432423190 /nfs/dbraw/zinc/42/31/90/432423190.db2.gz ANABVHOZVALNOW-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1O ZINC000271794035 432424242 /nfs/dbraw/zinc/42/42/42/432424242.db2.gz HLUOXRMNHCCOHL-GWCFXTLKSA-N 1 0 314.223 3.120 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193505579 432477454 /nfs/dbraw/zinc/47/74/54/432477454.db2.gz ABMCZOKPAXVSJV-QWHCGFSZSA-N 1 0 316.367 3.235 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c1 ZINC000185351707 432494362 /nfs/dbraw/zinc/49/43/62/432494362.db2.gz KWUXTIZIGNFHSQ-OLZOCXBDSA-N 1 0 301.386 3.388 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2c(C)noc2C)c1 ZINC000185501412 432507084 /nfs/dbraw/zinc/50/70/84/432507084.db2.gz ZITCUFHQNZPQAT-QWRGUYRKSA-N 1 0 304.390 3.287 20 10 DGCDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185504278 432507911 /nfs/dbraw/zinc/50/79/11/432507911.db2.gz AJPYKYHAMYWIOL-MWLCHTKSSA-N 1 0 302.212 3.230 20 10 DGCDRO C[C@H]([NH2+]Cc1nccs1)c1ccc(Br)cc1O ZINC000185087924 432464594 /nfs/dbraw/zinc/46/45/94/432464594.db2.gz BJZACLATCQAQCO-QMMMGPOBSA-N 1 0 313.220 3.462 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1cc(Br)ccc1O ZINC000185089509 432464859 /nfs/dbraw/zinc/46/48/59/432464859.db2.gz XUBIHLFYQUGFLF-WDEREUQCSA-N 1 0 314.223 3.232 20 10 DGCDRO COCCOCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000154011532 432465442 /nfs/dbraw/zinc/46/54/42/432465442.db2.gz WSDCERBCWFBMGI-KRWDZBQOSA-N 1 0 320.477 3.381 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cc(Br)ccc1O ZINC000185089475 432465929 /nfs/dbraw/zinc/46/59/29/432465929.db2.gz XUBIHLFYQUGFLF-QWRGUYRKSA-N 1 0 314.223 3.232 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1 ZINC000185111628 432467237 /nfs/dbraw/zinc/46/72/37/432467237.db2.gz WYXBPQCHMJNTDD-KRWDZBQOSA-N 1 0 305.805 3.351 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1O ZINC000185652057 432520974 /nfs/dbraw/zinc/52/09/74/432520974.db2.gz PDDITKPBNFWYSS-OCCSQVGLSA-N 1 0 305.805 3.472 20 10 DGCDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185677420 432522010 /nfs/dbraw/zinc/52/20/10/432522010.db2.gz NGJMYEGKWWYIHS-QWRGUYRKSA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185673459 432522499 /nfs/dbraw/zinc/52/24/99/432522499.db2.gz UJURBEHJQQPTDF-OFQRWUPVSA-N 1 0 315.413 3.390 20 10 DGCDRO CCc1noc(CC)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185678515 432523864 /nfs/dbraw/zinc/52/38/64/432523864.db2.gz XIAVOULXFLWUTD-NSHDSACASA-N 1 0 304.390 3.364 20 10 DGCDRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185826642 432536875 /nfs/dbraw/zinc/53/68/75/432536875.db2.gz VNABEYRIMMENOO-KDOFPFPSSA-N 1 0 315.413 3.484 20 10 DGCDRO CCC[NH+]1CCC(N(C)Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000177281020 432607479 /nfs/dbraw/zinc/60/74/79/432607479.db2.gz KWBIHRZSUUSLGQ-UHFFFAOYSA-N 1 0 322.424 3.040 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(Br)cc1O ZINC000186234894 432572794 /nfs/dbraw/zinc/57/27/94/432572794.db2.gz LERUSRYUCMLIRS-PWSUYJOCSA-N 1 0 314.223 3.374 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](COC)c2ccc(C)o2)c1 ZINC000177568587 432637679 /nfs/dbraw/zinc/63/76/79/432637679.db2.gz KJMMKDDGAGQAAH-OAHLLOKOSA-N 1 0 305.374 3.170 20 10 DGCDRO CCC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187197573 432651685 /nfs/dbraw/zinc/65/16/85/432651685.db2.gz JBVKTNRTXPPONZ-PWSUYJOCSA-N 1 0 316.239 3.275 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000219453035 432664165 /nfs/dbraw/zinc/66/41/65/432664165.db2.gz VGUDSNVLLNDVRW-HIFRSBDPSA-N 1 0 320.433 3.270 20 10 DGCDRO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(C)c(C)cc1O)n2C ZINC000187577788 432671488 /nfs/dbraw/zinc/67/14/88/432671488.db2.gz DRSBVAQYUISCGJ-UHFFFAOYSA-N 1 0 309.413 3.494 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000159637718 432690603 /nfs/dbraw/zinc/69/06/03/432690603.db2.gz GMCMBSBXFXFMAI-UHFFFAOYSA-N 1 0 320.383 3.318 20 10 DGCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3cc(C)ccc3O)CC2)n[nH]1 ZINC000275959121 432762525 /nfs/dbraw/zinc/76/25/25/432762525.db2.gz VPHWGBDJPKMKEX-CQSZACIVSA-N 1 0 314.433 3.052 20 10 DGCDRO C[C@H]([NH2+]Cc1ccoc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178476859 432742496 /nfs/dbraw/zinc/74/24/96/432742496.db2.gz JBBLDJBADYWQBN-ZDUSSCGKSA-N 1 0 304.365 3.106 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000276838179 432826803 /nfs/dbraw/zinc/82/68/03/432826803.db2.gz SFJYDHLHZWQIDJ-MRXNPFEDSA-N 1 0 305.418 3.372 20 10 DGCDRO CO[C@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000276981561 432827872 /nfs/dbraw/zinc/82/78/72/432827872.db2.gz WAJSFKAUMJJHSZ-ZJUUUORDSA-N 1 0 302.212 3.149 20 10 DGCDRO CO[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000276981555 432828304 /nfs/dbraw/zinc/82/83/04/432828304.db2.gz WAJSFKAUMJJHSZ-UWVGGRQHSA-N 1 0 302.212 3.149 20 10 DGCDRO CC[C@H](C)c1nnc([C@@H](C)NCc2ccc3c(c2)CCO3)[nH]1 ZINC000277457106 432851174 /nfs/dbraw/zinc/85/11/74/432851174.db2.gz QBZNKBCFLKRHBP-NWDGAFQWSA-N 1 0 300.406 3.104 20 10 DGCDRO C[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296653914 432923705 /nfs/dbraw/zinc/92/37/05/432923705.db2.gz ZDGRODORQQOAHB-ZIAGYGMSSA-N 1 0 304.434 3.067 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)CC2 ZINC000296851394 432931719 /nfs/dbraw/zinc/93/17/19/432931719.db2.gz NFZJJSOQHUWQIS-ZFWWWQNUSA-N 1 0 321.779 3.495 20 10 DGCDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3cccc(C)c3O)n2)c1 ZINC000279141617 432938242 /nfs/dbraw/zinc/93/82/42/432938242.db2.gz ZFQQVPKXVFYFSU-ZDUSSCGKSA-N 1 0 323.400 3.040 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)CCCO)cc1 ZINC000296962750 432943606 /nfs/dbraw/zinc/94/36/06/432943606.db2.gz ULICJHXGTWYNMW-UHFFFAOYSA-N 1 0 304.459 3.199 20 10 DGCDRO CCn1nccc1C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000278741957 432899248 /nfs/dbraw/zinc/89/92/48/432899248.db2.gz AHHPZMDDVHJKSH-UHFFFAOYSA-N 1 0 312.461 3.349 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCOC4(CCC4)C3)ccc21 ZINC000296403830 432904519 /nfs/dbraw/zinc/90/45/19/432904519.db2.gz LPYPTJSGLTYQHI-QGZVFWFLSA-N 1 0 300.446 3.260 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(N(C)C)cc1 ZINC000278913153 432916968 /nfs/dbraw/zinc/91/69/68/432916968.db2.gz GZYALINIOSFROP-CRAIPNDOSA-N 1 0 312.461 3.252 20 10 DGCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000279615421 432989530 /nfs/dbraw/zinc/98/95/30/432989530.db2.gz GEHNZKRGNCHYDF-LJQANCHMSA-N 1 0 302.462 3.414 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297867017 433026336 /nfs/dbraw/zinc/02/63/36/433026336.db2.gz ULOIXQVABVBJRO-FQEHYLHMSA-N 1 0 307.459 3.049 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)C2CCC(F)(F)CC2)cc1OC ZINC000290288520 433026745 /nfs/dbraw/zinc/02/67/45/433026745.db2.gz ZZHJPEMCAJMZMH-UHFFFAOYSA-N 1 0 315.360 3.419 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291203732 433229738 /nfs/dbraw/zinc/22/97/38/433229738.db2.gz HVHIOEBIUVTPQX-LBPRGKRZSA-N 1 0 312.200 3.343 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000374609289 433239917 /nfs/dbraw/zinc/23/99/17/433239917.db2.gz FSGDRYGLJVCRRF-LJQANCHMSA-N 1 0 307.397 3.313 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1OCCc2sccc21 ZINC000291680327 433310536 /nfs/dbraw/zinc/31/05/36/433310536.db2.gz HPGZDZUANTUJAV-KZULUSFZSA-N 1 0 315.438 3.475 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(Cl)ccc1O ZINC000375273256 433409167 /nfs/dbraw/zinc/40/91/67/433409167.db2.gz YUNKWZLMLPCCGJ-LLVKDONJSA-N 1 0 305.809 3.429 20 10 DGCDRO FC(F)C1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000281951490 433440016 /nfs/dbraw/zinc/44/00/16/433440016.db2.gz MAMUFLPYBQIYPA-UHFFFAOYSA-N 1 0 324.415 3.437 20 10 DGCDRO Oc1ccccc1C[N@H+](CCC1CCOCC1)C[C@@H]1CCCO1 ZINC000292889875 433602233 /nfs/dbraw/zinc/60/22/33/433602233.db2.gz JCNCCUJFYGQMNE-SFHVURJKSA-N 1 0 319.445 3.190 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](CO)C2CCCCC2)c1O ZINC000293231998 433662569 /nfs/dbraw/zinc/66/25/69/433662569.db2.gz ZHGARORQPMBADR-MRXNPFEDSA-N 1 0 307.434 3.069 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(Cl)ccc1O ZINC000376299099 433707839 /nfs/dbraw/zinc/70/78/39/433707839.db2.gz AIQOYTBOBIYCPY-GHJWDPDVSA-N 1 0 311.809 3.034 20 10 DGCDRO C[NH+]1CCC(C)(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293535193 433773148 /nfs/dbraw/zinc/77/31/48/433773148.db2.gz FITYQUOOGGGFFH-UHFFFAOYSA-N 1 0 300.805 3.006 20 10 DGCDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC000293588974 433795624 /nfs/dbraw/zinc/79/56/24/433795624.db2.gz OFFXIAFORULERA-UHFFFAOYSA-N 1 0 302.462 3.452 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cn1 ZINC000285400630 433939431 /nfs/dbraw/zinc/93/94/31/433939431.db2.gz XDRMGQDRQULCHZ-CYBMUJFWSA-N 1 0 313.401 3.213 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1O ZINC000377834124 434012534 /nfs/dbraw/zinc/01/25/34/434012534.db2.gz JEKZWTZMFQFTOX-JKSUJKDBSA-N 1 0 319.445 3.430 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1 ZINC000377890933 434027966 /nfs/dbraw/zinc/02/79/66/434027966.db2.gz ZFVBOWAFVDHUGH-QGZVFWFLSA-N 1 0 312.461 3.256 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000294556253 434121179 /nfs/dbraw/zinc/12/11/79/434121179.db2.gz LQRJQNCMUXPYHS-QGZVFWFLSA-N 1 0 316.470 3.341 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1 ZINC000294604534 434122231 /nfs/dbraw/zinc/12/22/31/434122231.db2.gz DJCIYTIMCGPSBA-ZIAGYGMSSA-N 1 0 304.434 3.059 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c(O)c1 ZINC000294689530 434127683 /nfs/dbraw/zinc/12/76/83/434127683.db2.gz ILRDJWADBNVZDO-AWEZNQCLSA-N 1 0 312.413 3.001 20 10 DGCDRO CC[C@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294791733 434147329 /nfs/dbraw/zinc/14/73/29/434147329.db2.gz ONFONOMPDKFWRF-OAHLLOKOSA-N 1 0 304.459 3.245 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)c2ccccn2)cc1F ZINC000294853244 434150604 /nfs/dbraw/zinc/15/06/04/434150604.db2.gz SFWBXHGGIZTZBS-UHFFFAOYSA-N 1 0 301.409 3.354 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1O ZINC000294957325 434153196 /nfs/dbraw/zinc/15/31/96/434153196.db2.gz DMMFJHBNDHVGPC-UHFFFAOYSA-N 1 0 312.291 3.104 20 10 DGCDRO Cc1nccnc1CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000295007783 434160765 /nfs/dbraw/zinc/16/07/65/434160765.db2.gz MLUBSHYAFPUOJD-CYBMUJFWSA-N 1 0 311.429 3.263 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c(O)c1 ZINC000363870181 434171387 /nfs/dbraw/zinc/17/13/87/434171387.db2.gz VZAMCFUWPHTVRF-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000295135211 434223472 /nfs/dbraw/zinc/22/34/72/434223472.db2.gz PDGYTWSLFGMLRD-QWRGUYRKSA-N 1 0 321.339 3.409 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)CCC[NH3+])c(C)n1-c1cccc(C)c1 ZINC000295281211 434287474 /nfs/dbraw/zinc/28/74/74/434287474.db2.gz SVADWEJDGCJBTE-AWEZNQCLSA-N 1 0 313.445 3.260 20 10 DGCDRO CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000287534716 434389168 /nfs/dbraw/zinc/38/91/68/434389168.db2.gz PCOKPDIZORSUQK-RHSMWYFYSA-N 1 0 324.440 3.073 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccnc(N3CCCC3)c1)CC2 ZINC000295809530 434440699 /nfs/dbraw/zinc/44/06/99/434440699.db2.gz CRCUZYHBXWSSBL-MRXNPFEDSA-N 1 0 309.413 3.165 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)CC2 ZINC000296138207 434521580 /nfs/dbraw/zinc/52/15/80/434521580.db2.gz WBJDCJHPYUPIAV-SFHVURJKSA-N 1 0 319.408 3.414 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000367684781 434554193 /nfs/dbraw/zinc/55/41/93/434554193.db2.gz LLVGFASPQICZQO-HOTGVXAUSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1O ZINC000368167130 434567382 /nfs/dbraw/zinc/56/73/82/434567382.db2.gz LHYTYKPXHHYCEP-INIZCTEOSA-N 1 0 317.360 3.193 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000367973531 434563125 /nfs/dbraw/zinc/56/31/25/434563125.db2.gz PBZPJZLXYXOUDB-IBGZPJMESA-N 1 0 312.457 3.288 20 10 DGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC000370671189 434616936 /nfs/dbraw/zinc/61/69/36/434616936.db2.gz OFBSIWGFCBOHFC-GUYCJALGSA-N 1 0 310.445 3.059 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)c1O ZINC000370892999 434620105 /nfs/dbraw/zinc/62/01/05/434620105.db2.gz SJEUTRPLFHUETC-UHFFFAOYSA-N 1 0 315.398 3.142 20 10 DGCDRO O=C(/C=C/c1cccnc1)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC000492074865 434909677 /nfs/dbraw/zinc/90/96/77/434909677.db2.gz XSYVMGJUCCRFKI-VOTSOKGWSA-N 1 0 322.343 3.190 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1ccc(C)cc1O ZINC000527996735 435018584 /nfs/dbraw/zinc/01/85/84/435018584.db2.gz FRIIQQWAZIBQMU-DOTOQJQBSA-N 1 0 310.397 3.305 20 10 DGCDRO CN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccc(OCc2ccccc2)cc1 ZINC000638321143 435005813 /nfs/dbraw/zinc/00/58/13/435005813.db2.gz WEIGVCMJJHUPTM-QGZVFWFLSA-N 1 0 322.408 3.276 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCC(=O)Nc1cccnc1 ZINC000575175291 435006295 /nfs/dbraw/zinc/00/62/95/435006295.db2.gz PUTSQKHDDVXVKG-UHFFFAOYSA-N 1 0 322.412 3.000 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000072670513 331669536 /nfs/dbraw/zinc/66/95/36/331669536.db2.gz YFNYGFHKNJXXHC-SFHVURJKSA-N 1 0 313.445 3.272 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1F ZINC000106244029 332258287 /nfs/dbraw/zinc/25/82/87/332258287.db2.gz CDDIFDNDZYHUPV-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000185183904 333205205 /nfs/dbraw/zinc/20/52/05/333205205.db2.gz UNQKZDKGQYJESV-GJZGRUSLSA-N 1 0 312.413 3.056 20 10 DGCDRO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000185704957 333212486 /nfs/dbraw/zinc/21/24/86/333212486.db2.gz JEKUMYOJWRXXTJ-WMLDXEAASA-N 1 0 319.445 3.117 20 10 DGCDRO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000185704996 333212492 /nfs/dbraw/zinc/21/24/92/333212492.db2.gz JEKUMYOJWRXXTJ-YOEHRIQHSA-N 1 0 319.445 3.117 20 10 DGCDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc2ccccc2c1O ZINC000185194223 333368964 /nfs/dbraw/zinc/36/89/64/333368964.db2.gz PLGGJHQSXSDJPM-CYBMUJFWSA-N 1 0 300.402 3.064 20 10 DGCDRO CC(C)c1nc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)no1 ZINC000272337376 334033509 /nfs/dbraw/zinc/03/35/09/334033509.db2.gz XTNHPONLEMRDRV-UHFFFAOYSA-N 1 0 319.380 3.417 20 10 DGCDRO CC(=O)NC1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293594511 334199346 /nfs/dbraw/zinc/19/93/46/334199346.db2.gz FSCFFZVKQWUDMT-IUDNXUCKSA-N 1 0 304.434 3.107 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000360039884 337084254 /nfs/dbraw/zinc/08/42/54/337084254.db2.gz ZNXGKPKSHDSFOD-OIISXLGYSA-N 1 0 305.418 3.084 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2cccnc2C)ccc1OC ZINC000527790009 337764285 /nfs/dbraw/zinc/76/42/85/337764285.db2.gz IKGDYIZMDFTFFB-UHFFFAOYSA-N 1 0 300.402 3.225 20 10 DGCDRO CC[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1ccc(C)cc1O ZINC000527996748 337778861 /nfs/dbraw/zinc/77/88/61/337778861.db2.gz FRIIQQWAZIBQMU-RDJZCZTQSA-N 1 0 310.397 3.305 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(C)cc1O ZINC000368446522 500737844 /nfs/dbraw/zinc/73/78/44/500737844.db2.gz KYZSEFLXRUWGDU-ZVZYQTTQSA-N 1 0 305.418 3.079 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3nc(C)cs3)CC2)cc1 ZINC000117384640 533998902 /nfs/dbraw/zinc/99/89/02/533998902.db2.gz PPNCTDJUVDHOFB-UHFFFAOYSA-N 1 0 317.458 3.219 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC3(C4CC4)CC3)CC2)cc1 ZINC000378404802 533999319 /nfs/dbraw/zinc/99/93/19/533999319.db2.gz PUKKMRAKVDXKER-UHFFFAOYSA-N 1 0 300.446 3.444 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCCOC(C)C)CC2)cc1 ZINC000171499662 534002176 /nfs/dbraw/zinc/00/21/76/534002176.db2.gz PFFHOVCRKFRUFI-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000360640042 534199060 /nfs/dbraw/zinc/19/90/60/534199060.db2.gz WKHMLBHWBSJTKS-UHFFFAOYSA-N 1 0 312.413 3.251 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c(O)c1C ZINC000297390230 534226205 /nfs/dbraw/zinc/22/62/05/534226205.db2.gz RSTQKNYNZOGKHM-WMLDXEAASA-N 1 0 317.404 3.402 20 10 DGCDRO CCCOc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(O)c1 ZINC000130014142 520345265 /nfs/dbraw/zinc/34/52/65/520345265.db2.gz WVZNTIPURUZBMJ-AWEZNQCLSA-N 1 0 305.418 3.182 20 10 DGCDRO CC1(C)C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000160466475 520524253 /nfs/dbraw/zinc/52/42/53/520524253.db2.gz YRVZEKCUALRCGB-LBPRGKRZSA-N 1 0 314.223 3.202 20 10 DGCDRO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185231500 521657064 /nfs/dbraw/zinc/65/70/64/521657064.db2.gz SYSWTHSFSYJDSR-SNVBAGLBSA-N 1 0 316.239 3.356 20 10 DGCDRO CCCN(Cc1cc(OC)ccc1O)c1ccc(C[NH3+])cc1 ZINC000194980361 521682145 /nfs/dbraw/zinc/68/21/45/521682145.db2.gz JUVOUXBZTALELW-UHFFFAOYSA-N 1 0 300.402 3.276 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)Cc1nccc(OC)c1OC ZINC000190611996 521690682 /nfs/dbraw/zinc/69/06/82/521690682.db2.gz ZZLPKNWNCQVQFU-UHFFFAOYSA-N 1 0 316.401 3.217 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000227683647 522689724 /nfs/dbraw/zinc/68/97/24/522689724.db2.gz JNFLENOORQVLII-JSGCOSHPSA-N 1 0 308.422 3.346 20 10 DGCDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2O)C1)C(=O)OC(C)(C)C ZINC000180075596 523072121 /nfs/dbraw/zinc/07/21/21/523072121.db2.gz BCJJWMPHXNZIHT-AWEZNQCLSA-N 1 0 320.433 3.081 20 10 DGCDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000164825248 534765197 /nfs/dbraw/zinc/76/51/97/534765197.db2.gz VRURDKLAPOYJPV-OAHLLOKOSA-N 1 0 312.369 3.161 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000180639364 524735633 /nfs/dbraw/zinc/73/56/33/524735633.db2.gz KGLWTCKJKFDBNV-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000161509401 525294121 /nfs/dbraw/zinc/29/41/21/525294121.db2.gz IENXTPRZMQNTKJ-INIZCTEOSA-N 1 0 301.478 3.422 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000191675336 525339129 /nfs/dbraw/zinc/33/91/29/525339129.db2.gz TZKHRXFXACTQNP-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000189466637 525346217 /nfs/dbraw/zinc/34/62/17/525346217.db2.gz HJDZIILFICKUQX-UHFFFAOYSA-N 1 0 316.367 3.065 20 10 DGCDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000237717498 525444637 /nfs/dbraw/zinc/44/46/37/525444637.db2.gz LRJCGJFDZSLTNR-UHFFFAOYSA-N 1 0 324.380 3.243 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](O)c1cccc(F)c1 ZINC000267180337 525445224 /nfs/dbraw/zinc/44/52/24/525445224.db2.gz KANYPYIZICFYJA-KPZWWZAWSA-N 1 0 320.383 3.243 20 10 DGCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cc(C)c(C)cc2O)c(C)o1 ZINC000266137666 525502014 /nfs/dbraw/zinc/50/20/14/525502014.db2.gz GEMKCHPUFVLXCZ-SFHVURJKSA-N 1 0 303.402 3.216 20 10 DGCDRO CSC[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265698050 525718618 /nfs/dbraw/zinc/71/86/18/525718618.db2.gz PSACTCZCECXRKT-GOSISDBHSA-N 1 0 317.454 3.263 20 10 DGCDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183082117 525763265 /nfs/dbraw/zinc/76/32/65/525763265.db2.gz NQFZEFCBSZBIIP-OAHLLOKOSA-N 1 0 315.413 3.174 20 10 DGCDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265738621 525892951 /nfs/dbraw/zinc/89/29/51/525892951.db2.gz DFSQVMVKXALOTF-FZKQIMNGSA-N 1 0 317.454 3.261 20 10 DGCDRO Cn1cc(C[NH2+]Cc2c(O)cccc2Cl)c(C(F)(F)F)n1 ZINC000130714117 527218346 /nfs/dbraw/zinc/21/83/46/527218346.db2.gz VQJIXYABNAUHEF-UHFFFAOYSA-N 1 0 319.714 3.088 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)CC1 ZINC000238171776 527529063 /nfs/dbraw/zinc/52/90/63/527529063.db2.gz GGXBBDNBIOBFKB-QGZVFWFLSA-N 1 0 314.473 3.341 20 10 DGCDRO OC[C@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1ccc(F)cc1 ZINC000264967353 527607230 /nfs/dbraw/zinc/60/72/30/527607230.db2.gz QAZNFLRRIXQCCU-ZDUSSCGKSA-N 1 0 323.795 3.126 20 10 DGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(OC)c1O ZINC000184702200 527900827 /nfs/dbraw/zinc/90/08/27/527900827.db2.gz VSTRXTHRQWCDLW-CABCVRRESA-N 1 0 324.852 3.113 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](CCO)C(C)(C)C)ccc1OC ZINC000290960176 529035093 /nfs/dbraw/zinc/03/50/93/529035093.db2.gz WCQCELMZIKHDPZ-QGZVFWFLSA-N 1 0 309.450 3.118 20 10 DGCDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000284261905 535046400 /nfs/dbraw/zinc/04/64/00/535046400.db2.gz WHDHOCKGVIRXHX-IBGZPJMESA-N 1 0 312.461 3.298 20 10 DGCDRO CC1([C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)OCCO1 ZINC000273224389 535204871 /nfs/dbraw/zinc/20/48/71/535204871.db2.gz VVGYBDUOSXHRNZ-GFCCVEGCSA-N 1 0 311.809 3.021 20 10 DGCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000284261908 535204929 /nfs/dbraw/zinc/20/49/29/535204929.db2.gz WHDHOCKGVIRXHX-LJQANCHMSA-N 1 0 312.461 3.298 20 10 DGCDRO CC(C)(O)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000274912492 535292983 /nfs/dbraw/zinc/29/29/83/535292983.db2.gz KDUYOYKARZJKAZ-UHFFFAOYSA-N 1 0 315.413 3.222 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CCOC)c2ccco2)c1 ZINC000272637027 535752665 /nfs/dbraw/zinc/75/26/65/535752665.db2.gz YSGJLTBVKGMSDK-OAHLLOKOSA-N 1 0 305.374 3.251 20 10 DGCDRO CCOC(=O)CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731847687 574560364 /nfs/dbraw/zinc/56/03/64/574560364.db2.gz MEXOFBGZOPJDSX-UHFFFAOYSA-N 1 0 305.418 3.480 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCn2nc(C)cc2C)cc1 ZINC000731751873 574558328 /nfs/dbraw/zinc/55/83/28/574558328.db2.gz HUGPGSQHWGKSBH-UHFFFAOYSA-N 1 0 314.477 3.478 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nc2ccccc2n1C ZINC000735925367 574722453 /nfs/dbraw/zinc/72/24/53/574722453.db2.gz FMALEUIQYKTWDJ-CYBMUJFWSA-N 1 0 307.397 3.359 20 10 DGCDRO CCN(CC)c1ccc(CN[C@H](C)C[NH+](CC)CC)cc1F ZINC000740004542 574917902 /nfs/dbraw/zinc/91/79/02/574917902.db2.gz PIQFJUAICHJFBN-OAHLLOKOSA-N 1 0 309.473 3.492 20 10 DGCDRO CCN(C)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000741753296 574968642 /nfs/dbraw/zinc/96/86/42/574968642.db2.gz SCXHSWFUAYBWRZ-UHFFFAOYSA-N 1 0 323.484 3.461 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000742372505 574993355 /nfs/dbraw/zinc/99/33/55/574993355.db2.gz OGPULMPJVGXGAE-IBGZPJMESA-N 1 0 311.429 3.159 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2nc3cc(F)ccc3n2C)cc1C ZINC000742372303 574993374 /nfs/dbraw/zinc/99/33/74/574993374.db2.gz WGIKDFCHUAHBNF-UHFFFAOYSA-N 1 0 313.376 3.325 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(O)c1 ZINC000742376741 574993862 /nfs/dbraw/zinc/99/38/62/574993862.db2.gz FJLRSSBCZRIORU-OIISXLGYSA-N 1 0 305.418 3.084 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCSC2)ccc1N1CCCCC1 ZINC000742383015 574994825 /nfs/dbraw/zinc/99/48/25/574994825.db2.gz RMCHUAJPGXMEAH-AWEZNQCLSA-N 1 0 321.446 3.180 20 10 DGCDRO c1ccc2c(c1)CCCN2CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000742718231 575014475 /nfs/dbraw/zinc/01/44/75/575014475.db2.gz MRWDXAFOZYDCNL-UHFFFAOYSA-N 1 0 308.425 3.164 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)Cn2cncn2)c(C)n1-c1cccc(C)c1 ZINC000742724806 575015484 /nfs/dbraw/zinc/01/54/84/575015484.db2.gz BGCKAAXQNGISGQ-OAHLLOKOSA-N 1 0 323.444 3.172 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C(=O)CC12CCC2 ZINC000743349650 575044983 /nfs/dbraw/zinc/04/49/83/575044983.db2.gz FRSYCJVOHFWYBI-UHFFFAOYSA-N 1 0 315.461 3.076 20 10 DGCDRO Cc1cc(C(=O)N(C)CC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000747173641 575503315 /nfs/dbraw/zinc/50/33/15/575503315.db2.gz PQEIPIIHWXJOSM-UHFFFAOYSA-N 1 0 313.445 3.036 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c(O)c1 ZINC000749114599 575627521 /nfs/dbraw/zinc/62/75/21/575627521.db2.gz FTKZPNAQOYUZHN-KZULUSFZSA-N 1 0 319.376 3.142 20 10 DGCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000749287646 575642542 /nfs/dbraw/zinc/64/25/42/575642542.db2.gz LKNGDTZKQOGWAB-UHFFFAOYSA-N 1 0 310.413 3.103 20 10 DGCDRO CO[C@@H](C)C[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000750048981 575700081 /nfs/dbraw/zinc/70/00/81/575700081.db2.gz QIBBKYXSNNDUTF-NSHDSACASA-N 1 0 313.825 3.494 20 10 DGCDRO CCOCc1cc(C[NH2+]C2(CCO)CCCCC2)ccc1OC ZINC000751153872 575772470 /nfs/dbraw/zinc/77/24/70/575772470.db2.gz USISZMYQAFZYCD-UHFFFAOYSA-N 1 0 321.461 3.407 20 10 DGCDRO COc1cccc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000748247810 576075452 /nfs/dbraw/zinc/07/54/52/576075452.db2.gz YUNWPFKYTMDHHU-MRXNPFEDSA-N 1 0 303.406 3.011 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000748247808 576075597 /nfs/dbraw/zinc/07/55/97/576075597.db2.gz YUNWPFKYTMDHHU-INIZCTEOSA-N 1 0 303.406 3.011 20 10 DGCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)c3ccc(F)cc3)ccc21 ZINC000727643770 576135778 /nfs/dbraw/zinc/13/57/78/576135778.db2.gz JTTBULUJUFXODI-LJQANCHMSA-N 1 0 314.404 3.031 20 10 DGCDRO CCCOc1cccc(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000728775099 576200365 /nfs/dbraw/zinc/20/03/65/576200365.db2.gz HIFYKKUDECZNGI-UHFFFAOYSA-N 1 0 301.386 3.479 20 10 DGCDRO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cccc2c1CC[NH2+]C2 ZINC000852841889 620651676 /nfs/dbraw/zinc/65/16/76/620651676.db2.gz LWWMZQRGKGIYQJ-CQSZACIVSA-N 1 0 322.408 3.068 20 10 DGCDRO Cc1cc(CO)cc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000853209048 620677245 /nfs/dbraw/zinc/67/72/45/620677245.db2.gz KOGYRDSGJKASIA-UHFFFAOYSA-N 1 0 311.429 3.117 20 10 DGCDRO CCCCNC(=O)C1([NH2+]Cc2cccc(C)c2O)CCCCC1 ZINC000154628743 620695147 /nfs/dbraw/zinc/69/51/47/620695147.db2.gz BSXTYABTIYOTDZ-UHFFFAOYSA-N 1 0 318.461 3.409 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000918069003 620695226 /nfs/dbraw/zinc/69/52/26/620695226.db2.gz HNNBMPZVEJVBJN-UHFFFAOYSA-N 1 0 315.369 3.070 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1C ZINC000853582304 620712381 /nfs/dbraw/zinc/71/23/81/620712381.db2.gz JOMIOLMCHKLILC-UHFFFAOYSA-N 1 0 301.430 3.400 20 10 DGCDRO COc1cc(C[NH+]2CCC(c3ccon3)CC2)c(O)cc1C ZINC000853591186 620713829 /nfs/dbraw/zinc/71/38/29/620713829.db2.gz YKTGUPDPXLWIKU-UHFFFAOYSA-N 1 0 302.374 3.077 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000853623539 620717006 /nfs/dbraw/zinc/71/70/06/620717006.db2.gz RJXGPYYJAANIJS-BGYRXZFFSA-N 1 0 324.424 3.333 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)c2c1c(F)ccc2O ZINC000806167705 617647378 /nfs/dbraw/zinc/64/73/78/617647378.db2.gz GFLUYATTWWXVJS-JGGQBBKZSA-N 1 0 315.388 3.273 20 10 DGCDRO CN(C)c1ccc([C@@H](CNC(=O)CC2CCCC2)[NH+](C)C)cc1 ZINC000891256964 617760942 /nfs/dbraw/zinc/76/09/42/617760942.db2.gz CIEDJBKQYRQECR-GOSISDBHSA-N 1 0 317.477 3.052 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)cn2C)c(O)c1OC ZINC000892223952 617988536 /nfs/dbraw/zinc/98/85/36/617988536.db2.gz OECWSQSMQAWSEL-UHFFFAOYSA-N 1 0 324.808 3.033 20 10 DGCDRO COc1ccc(C[N@@H+]2CCCC[C@H](SC)C2)c(O)c1OC ZINC000892233414 617991825 /nfs/dbraw/zinc/99/18/25/617991825.db2.gz QMMDZSBRCKJWMQ-ZDUSSCGKSA-N 1 0 311.447 3.127 20 10 DGCDRO CC[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccccc1O ZINC000155102887 620767842 /nfs/dbraw/zinc/76/78/42/620767842.db2.gz JLCXVPQHMWCGAZ-INIZCTEOSA-N 1 0 308.385 3.214 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccns3)C2)cc1 ZINC000926611507 618061049 /nfs/dbraw/zinc/06/10/49/618061049.db2.gz LYQFWPHCVQGCBK-UONOGXRCSA-N 1 0 317.458 3.329 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C3(OC)CCC3)CC2)cc1 ZINC000840884228 618116278 /nfs/dbraw/zinc/11/62/78/618116278.db2.gz KQWBBNXBFWZOGC-OAHLLOKOSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2N(C)C)c1O ZINC000894393128 618304803 /nfs/dbraw/zinc/30/48/03/618304803.db2.gz RGPJFGYMSUUYNK-UHFFFAOYSA-N 1 0 300.402 3.065 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c2c(n1)CCCC2 ZINC000892792004 618311705 /nfs/dbraw/zinc/31/17/05/618311705.db2.gz CXCWNKOSJVWULR-UHFFFAOYSA-N 1 0 308.425 3.494 20 10 DGCDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccn1 ZINC000892910482 618347944 /nfs/dbraw/zinc/34/79/44/618347944.db2.gz CXBLICSUAPPUPN-CQSZACIVSA-N 1 0 316.401 3.435 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cc(C)ccc2F)c(O)c1OC ZINC000894742040 618444379 /nfs/dbraw/zinc/44/43/79/618444379.db2.gz OPCAJPCNBXYYKW-UHFFFAOYSA-N 1 0 319.376 3.189 20 10 DGCDRO CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@H]1CCOC(C)(C)C1 ZINC000894789830 618454678 /nfs/dbraw/zinc/45/46/78/618454678.db2.gz KOFNQZNZAFXYOW-HNNXBMFYSA-N 1 0 307.434 3.489 20 10 DGCDRO Oc1c(C[NH2+]CCO[C@@H]2CCCCO2)ccc2ccccc21 ZINC000894796407 618458981 /nfs/dbraw/zinc/45/89/81/618458981.db2.gz IGZGASXYRHPWGL-QGZVFWFLSA-N 1 0 301.386 3.178 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1O ZINC000894874731 618485118 /nfs/dbraw/zinc/48/51/18/618485118.db2.gz VYUBDNPOLJXFKY-QGZVFWFLSA-N 1 0 315.413 3.057 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)c(O)c1OC ZINC000893256493 618487770 /nfs/dbraw/zinc/48/77/70/618487770.db2.gz UCNCPWFRNJGNJC-MRXNPFEDSA-N 1 0 314.385 3.045 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)CC(F)(F)F)c(O)c1OC ZINC000894909954 618497993 /nfs/dbraw/zinc/49/79/93/618497993.db2.gz LEQPBFJNTLQYBF-SECBINFHSA-N 1 0 307.312 3.088 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]CC3CCC(OC)CC3)C2)cc1 ZINC000895308793 618592999 /nfs/dbraw/zinc/59/29/99/618592999.db2.gz CIIOSFRALUXVAE-UPTPFMHGSA-N 1 0 318.461 3.069 20 10 DGCDRO CC[C@H](c1ccc(C)cc1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925751134 618594854 /nfs/dbraw/zinc/59/48/54/618594854.db2.gz KHEQNGLVCKKUAI-CQSZACIVSA-N 1 0 317.458 3.125 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)c(O)c1OC ZINC000895350393 618600648 /nfs/dbraw/zinc/60/06/48/618600648.db2.gz BLEZYGPVJMGQMY-BLLLJJGKSA-N 1 0 313.397 3.227 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccc(C)c(C)c2)c(O)c1OC ZINC000895360543 618603007 /nfs/dbraw/zinc/60/30/07/618603007.db2.gz IPAXKSRMGNMGLO-UHFFFAOYSA-N 1 0 315.413 3.359 20 10 DGCDRO COc1ccc(C[NH2+]CCC2CCC(OC)CC2)c(O)c1OC ZINC000893565069 618603961 /nfs/dbraw/zinc/60/39/61/618603961.db2.gz WXHFURVXEMIPJX-UHFFFAOYSA-N 1 0 323.433 3.094 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000840952724 618623672 /nfs/dbraw/zinc/62/36/72/618623672.db2.gz HPDKQKDBVHULOQ-UHFFFAOYSA-N 1 0 314.477 3.453 20 10 DGCDRO CC(C)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)OCC1CC1 ZINC000840960250 618638303 /nfs/dbraw/zinc/63/83/03/618638303.db2.gz IOXOQDRBOFJSQE-UHFFFAOYSA-N 1 0 301.789 3.480 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cc1F ZINC000840977884 618653810 /nfs/dbraw/zinc/65/38/10/618653810.db2.gz KWIFZQZREAYEGY-HOCLYGCPSA-N 1 0 308.441 3.265 20 10 DGCDRO Cc1coc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000893881532 618670806 /nfs/dbraw/zinc/67/08/06/618670806.db2.gz VXVNSHIPTWZDSR-MRXNPFEDSA-N 1 0 301.386 3.475 20 10 DGCDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC000893994828 618688104 /nfs/dbraw/zinc/68/81/04/618688104.db2.gz KAZMZDOAPOLJDN-GFCCVEGCSA-N 1 0 307.340 3.053 20 10 DGCDRO Oc1ccc2ccncc2c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000015497582 618716111 /nfs/dbraw/zinc/71/61/11/618716111.db2.gz NODCITWWUHBZAT-UHFFFAOYSA-N 1 0 319.408 3.263 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCCNc2ccccc2)c1O ZINC000894138246 618718582 /nfs/dbraw/zinc/71/85/82/618718582.db2.gz HYZZADZHMUPUML-UHFFFAOYSA-N 1 0 300.402 3.301 20 10 DGCDRO COc1ccc(C[NH2+]CC(C)(C)C(F)(F)F)c(O)c1OC ZINC000894265417 618745507 /nfs/dbraw/zinc/74/55/07/618745507.db2.gz WWRPAZONJGRHJV-UHFFFAOYSA-N 1 0 307.312 3.088 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C12CCC2 ZINC000894267603 618746444 /nfs/dbraw/zinc/74/64/44/618746444.db2.gz BAMJZJKHQFVESI-CVEARBPZSA-N 1 0 305.418 3.147 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000894369668 618773041 /nfs/dbraw/zinc/77/30/41/618773041.db2.gz BCOIPTUURMFZLS-LBPRGKRZSA-N 1 0 316.357 3.468 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCCCC(=O)OC(C)(C)C)c1O ZINC000894371948 618773733 /nfs/dbraw/zinc/77/37/33/618773733.db2.gz HZQYEDLDPNWRHF-UHFFFAOYSA-N 1 0 323.433 3.311 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c1O ZINC000895449326 618786192 /nfs/dbraw/zinc/78/61/92/618786192.db2.gz GRBVASGZKWPKNU-WBVHZDCISA-N 1 0 305.418 3.147 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@](OC)(C(F)(F)F)C2)c1O ZINC000895572199 618800029 /nfs/dbraw/zinc/80/00/29/618800029.db2.gz BYSYYUIPSOEWPB-AWEZNQCLSA-N 1 0 303.324 3.108 20 10 DGCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CF)C2)ccc1N1CCCCC1 ZINC000895575320 618800762 /nfs/dbraw/zinc/80/07/62/618800762.db2.gz RNVKDTUWTSQJMI-HNNXBMFYSA-N 1 0 321.396 3.377 20 10 DGCDRO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000895577290 618801313 /nfs/dbraw/zinc/80/13/13/618801313.db2.gz IFMBMDHBZGMMRB-GFCCVEGCSA-N 1 0 309.715 3.199 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)c1O ZINC000895677182 618815164 /nfs/dbraw/zinc/81/51/64/618815164.db2.gz KCDLFBFOFDTSCQ-ZDUSSCGKSA-N 1 0 311.809 3.246 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)c1 ZINC000895717484 618821940 /nfs/dbraw/zinc/82/19/40/618821940.db2.gz RICSOBYUJGGGLF-INIZCTEOSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC3(CCC3)CO2)c1O ZINC000895790755 618831351 /nfs/dbraw/zinc/83/13/51/618831351.db2.gz KVIQLBJOQDOSJF-CYBMUJFWSA-N 1 0 311.809 3.103 20 10 DGCDRO CCOc1cccc(CN2CCC(CC)([NH+]3CCC3)CC2)c1O ZINC000895828790 618839002 /nfs/dbraw/zinc/83/90/02/618839002.db2.gz YQELOGLINXUPCD-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1F ZINC000895846414 618841334 /nfs/dbraw/zinc/84/13/34/618841334.db2.gz UBKFKXDIUAGFLR-PXAZEXFGSA-N 1 0 310.388 3.032 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000896279868 618896337 /nfs/dbraw/zinc/89/63/37/618896337.db2.gz JOPGALZRJPTAEC-LSDHHAIUSA-N 1 0 316.367 3.261 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c1O ZINC000896532311 618925743 /nfs/dbraw/zinc/92/57/43/618925743.db2.gz UJVOWDXVWDQHLP-ZDUSSCGKSA-N 1 0 318.442 3.312 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c1O ZINC000896820192 618964808 /nfs/dbraw/zinc/96/48/08/618964808.db2.gz DOPBMLSIEVJVER-CHWSQXEVSA-N 1 0 303.324 3.290 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2nc3c(s2)CCC3)c1O ZINC000896842755 618968785 /nfs/dbraw/zinc/96/87/85/618968785.db2.gz VRSAVRSLQXMQJQ-UHFFFAOYSA-N 1 0 302.443 3.232 20 10 DGCDRO COc1ccc(C[NH+]2CCC(F)(C3CC3)CC2)c(O)c1OC ZINC000896945986 618991719 /nfs/dbraw/zinc/99/17/19/618991719.db2.gz LKORTYPABLOWMM-UHFFFAOYSA-N 1 0 309.381 3.124 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)C(=O)N(C)CC)cc1 ZINC000788972625 625310248 /nfs/dbraw/zinc/31/02/48/625310248.db2.gz CJCHICHXHLZOOH-INIZCTEOSA-N 1 0 319.493 3.269 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c1O ZINC000897245935 619036276 /nfs/dbraw/zinc/03/62/76/619036276.db2.gz NCDJFRXSMHKCJQ-OAHLLOKOSA-N 1 0 305.418 3.291 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@H]1C ZINC000840717710 619037707 /nfs/dbraw/zinc/03/77/07/619037707.db2.gz HYBOEFGWCZDRQX-XCRHUMRWSA-N 1 0 320.452 3.311 20 10 DGCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000121315182 619052826 /nfs/dbraw/zinc/05/28/26/619052826.db2.gz IVBZBASLRUPPBU-UHFFFAOYSA-N 1 0 314.429 3.365 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc2c1OCC2 ZINC000788983648 625313807 /nfs/dbraw/zinc/31/38/07/625313807.db2.gz CVRDYFDQLDRTOX-FGTMMUONSA-N 1 0 301.430 3.306 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)cc1OC ZINC000897478311 619133934 /nfs/dbraw/zinc/13/39/34/619133934.db2.gz PYVYLBTWNMQRCK-AWEZNQCLSA-N 1 0 323.433 3.094 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1O ZINC000841747454 619136804 /nfs/dbraw/zinc/13/68/04/619136804.db2.gz RATUTTALHGDXLG-KOLCDFICSA-N 1 0 322.758 3.333 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)ccc1OC ZINC000897511520 619142108 /nfs/dbraw/zinc/14/21/08/619142108.db2.gz MUZNZINGCCAFJT-MJGOQNOKSA-N 1 0 319.445 3.279 20 10 DGCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000897579012 619162373 /nfs/dbraw/zinc/16/23/73/619162373.db2.gz MEAQDICTCWQZPZ-GFCCVEGCSA-N 1 0 321.808 3.192 20 10 DGCDRO COc1cc(O)c(CNc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000841028032 619165232 /nfs/dbraw/zinc/16/52/32/619165232.db2.gz JSFCVZAJFDPXOM-NSHDSACASA-N 1 0 302.374 3.041 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccon1)c1cc(Br)ccc1O ZINC000148710649 619171199 /nfs/dbraw/zinc/17/11/99/619171199.db2.gz UCHINJBCBXDBDS-GFCCVEGCSA-N 1 0 311.179 3.384 20 10 DGCDRO COc1cc(C[NH2+]CCc2ccc(N)cc2)ccc1SC ZINC000841035255 619171749 /nfs/dbraw/zinc/17/17/49/619171749.db2.gz LXWILEJYDVWTBT-UHFFFAOYSA-N 1 0 302.443 3.332 20 10 DGCDRO Cc1cccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)c1O ZINC000897862704 619189124 /nfs/dbraw/zinc/18/91/24/619189124.db2.gz OXGJYEHYZVYJOK-UHFFFAOYSA-N 1 0 311.381 3.251 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)c(O)c1OC ZINC000898013806 619205675 /nfs/dbraw/zinc/20/56/75/619205675.db2.gz IMUAWPBMVMRLBD-NSHDSACASA-N 1 0 315.360 3.325 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000898167289 619219712 /nfs/dbraw/zinc/21/97/12/619219712.db2.gz XXLCCWRJYMRUSC-LSDHHAIUSA-N 1 0 321.417 3.001 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H](O)C2CC2)c(C(F)(F)F)c1 ZINC000898196898 619225464 /nfs/dbraw/zinc/22/54/64/619225464.db2.gz BOTVXRVZSVCHJH-OAHLLOKOSA-N 1 0 316.367 3.022 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccsc2)N(C)C)cc1 ZINC000898450293 619276005 /nfs/dbraw/zinc/27/60/05/619276005.db2.gz ACWLQZGBYAZVEN-QGZVFWFLSA-N 1 0 303.475 3.207 20 10 DGCDRO COc1cccc(C[NH2+]CCCOc2cccc(F)c2)c1O ZINC000898444609 619276615 /nfs/dbraw/zinc/27/66/15/619276615.db2.gz BZYDUWFVXQBVLA-UHFFFAOYSA-N 1 0 305.349 3.099 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(C(F)(F)F)cc1O ZINC000927147008 619293012 /nfs/dbraw/zinc/29/30/12/619293012.db2.gz IDMGZYPYQBRDCG-IRUJWGPZSA-N 1 0 303.324 3.223 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000128989464 625363470 /nfs/dbraw/zinc/36/34/70/625363470.db2.gz AZKMHGBGBONELI-HNAYVOBHSA-N 1 0 323.440 3.209 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c1O ZINC000903176423 619730142 /nfs/dbraw/zinc/73/01/42/619730142.db2.gz OSKOACWASKDMMT-OPQQBVKSSA-N 1 0 319.323 3.161 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000903177888 619730630 /nfs/dbraw/zinc/73/06/30/619730630.db2.gz CBFZSBLVVRDHBP-MISXGVKJSA-N 1 0 303.324 3.461 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCONC(=O)OC(C)(C)C)c1 ZINC000903240257 619742635 /nfs/dbraw/zinc/74/26/35/619742635.db2.gz WFZQCFVGOGGVKZ-CYBMUJFWSA-N 1 0 324.421 3.198 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c1 ZINC000903239117 619742653 /nfs/dbraw/zinc/74/26/53/619742653.db2.gz INEUUJVHVJAUFR-CYBMUJFWSA-N 1 0 320.433 3.409 20 10 DGCDRO C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1cc(F)ccc1O ZINC000903240027 619742747 /nfs/dbraw/zinc/74/27/47/619742747.db2.gz SSOROPMLBYSCFE-LLVKDONJSA-N 1 0 324.396 3.239 20 10 DGCDRO C[NH+](C)CC[C@@H](N[C@@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000903381372 619768698 /nfs/dbraw/zinc/76/86/98/619768698.db2.gz WBCQKNTVVGNJGZ-IAGOWNOFSA-N 1 0 311.429 3.057 20 10 DGCDRO C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1ccc(F)cc1O ZINC000903380775 619768852 /nfs/dbraw/zinc/76/88/52/619768852.db2.gz PHVRYSKDKFLXLE-CXAGYDPISA-N 1 0 317.408 3.270 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1=O)c1cc(Cl)ccc1O ZINC000903389742 619770542 /nfs/dbraw/zinc/77/05/42/619770542.db2.gz WMAUISKEPUMMON-KGLIPLIRSA-N 1 0 310.825 3.097 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000903450765 619778933 /nfs/dbraw/zinc/77/89/33/619778933.db2.gz MPIGQKMUOLJBMF-ZNMIVQPWSA-N 1 0 305.418 3.391 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959255 619839688 /nfs/dbraw/zinc/83/96/88/619839688.db2.gz DAFSPXFNXABOTC-MRXNPFEDSA-N 1 0 312.816 3.150 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2)CC1 ZINC000905102395 619971457 /nfs/dbraw/zinc/97/14/57/619971457.db2.gz SJYBPMDXZODUED-QGZVFWFLSA-N 1 0 312.404 3.029 20 10 DGCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000905139823 619975247 /nfs/dbraw/zinc/97/52/47/619975247.db2.gz YFSARSMPQSFMTI-HXUWFJFHSA-N 1 0 308.425 3.194 20 10 DGCDRO CCc1cccc(NC(=S)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000905619397 620013432 /nfs/dbraw/zinc/01/34/32/620013432.db2.gz UYZJTRHWUWJQOB-UHFFFAOYSA-N 1 0 314.458 3.197 20 10 DGCDRO Cc1nc([C@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)no1 ZINC000905684888 620018720 /nfs/dbraw/zinc/01/87/20/620018720.db2.gz GHBRASPUYNLVNY-AWEZNQCLSA-N 1 0 309.369 3.226 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)CC(C)(C)C)cc1 ZINC000911668485 620340295 /nfs/dbraw/zinc/34/02/95/620340295.db2.gz XTJCMKKXZMUEJM-MRXNPFEDSA-N 1 0 319.493 3.331 20 10 DGCDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(Br)cc1O ZINC000757658632 620459104 /nfs/dbraw/zinc/45/91/04/620459104.db2.gz SHFRLYDYXSXJSG-QWRGUYRKSA-N 1 0 314.223 3.232 20 10 DGCDRO COC[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000112962245 620867917 /nfs/dbraw/zinc/86/79/17/620867917.db2.gz UNTJWTOWHOGXDV-CYBMUJFWSA-N 1 0 307.434 3.254 20 10 DGCDRO CC(C)[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)c1ccnn1C ZINC000788076392 620897830 /nfs/dbraw/zinc/89/78/30/620897830.db2.gz MVUXKQFETALFPC-QGZVFWFLSA-N 1 0 300.450 3.016 20 10 DGCDRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921532863 620903585 /nfs/dbraw/zinc/90/35/85/620903585.db2.gz NUNXHLIFAKAOCY-UHFFFAOYSA-N 1 0 310.397 3.260 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCN1CCc2sccc2C1 ZINC000113326527 620904438 /nfs/dbraw/zinc/90/44/38/620904438.db2.gz JFAIOOHDPAZQJU-UHFFFAOYSA-N 1 0 322.861 3.255 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC000113334446 620904459 /nfs/dbraw/zinc/90/44/59/620904459.db2.gz FLHAPDAUJFBWDY-UHFFFAOYSA-N 1 0 320.433 3.190 20 10 DGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113335934 620904483 /nfs/dbraw/zinc/90/44/83/620904483.db2.gz KQQHOIWXTWYMIT-CYBMUJFWSA-N 1 0 302.393 3.318 20 10 DGCDRO CCN(CC)[C@H](C[NH2+]Cc1cc(C)ccc1O)c1ccco1 ZINC000113330263 620904526 /nfs/dbraw/zinc/90/45/26/620904526.db2.gz WPNBKWYDSWHMQK-MRXNPFEDSA-N 1 0 302.418 3.466 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1O ZINC000788077080 620905767 /nfs/dbraw/zinc/90/57/67/620905767.db2.gz SDQQNUYSBYDKCM-OAHLLOKOSA-N 1 0 317.433 3.054 20 10 DGCDRO CC(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccnn1C ZINC000788077451 620906193 /nfs/dbraw/zinc/90/61/93/620906193.db2.gz VIECIMMCVLQBNE-AWEZNQCLSA-N 1 0 307.825 3.309 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921815220 620954355 /nfs/dbraw/zinc/95/43/55/620954355.db2.gz IXNLSGWHWMRWIQ-YVHKJVDXSA-N 1 0 321.486 3.181 20 10 DGCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921815217 620954406 /nfs/dbraw/zinc/95/44/06/620954406.db2.gz IXNLSGWHWMRWIQ-HOIFWPIMSA-N 1 0 321.486 3.181 20 10 DGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921947562 620972047 /nfs/dbraw/zinc/97/20/47/620972047.db2.gz RLFLUIPGXOYHTP-CZUORRHYSA-N 1 0 301.386 3.206 20 10 DGCDRO Cn1nc(C[NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc21 ZINC000921997341 620977936 /nfs/dbraw/zinc/97/79/36/620977936.db2.gz DTHDDPYPVPJAPT-UHFFFAOYSA-N 1 0 307.397 3.188 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)c1 ZINC000922213616 621007018 /nfs/dbraw/zinc/00/70/18/621007018.db2.gz PSNUEETWGRMNEK-ZQDZILKHSA-N 1 0 305.418 3.257 20 10 DGCDRO c1cc2c(cc1C[NH2+]CCCO[C@@H]1CCCCO1)CCCO2 ZINC000922233127 621010348 /nfs/dbraw/zinc/01/03/48/621010348.db2.gz UQIUDDTXVUPLNK-GOSISDBHSA-N 1 0 305.418 3.035 20 10 DGCDRO c1cnc(N2CCCC2)c(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922240930 621012010 /nfs/dbraw/zinc/01/20/10/621012010.db2.gz GFPYYTHVWRNDDT-UHFFFAOYSA-N 1 0 323.440 3.297 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2nc3c(s2)CCC3)c1O ZINC000922470859 621040795 /nfs/dbraw/zinc/04/07/95/621040795.db2.gz TUSFGLSYOYGIEL-UHFFFAOYSA-N 1 0 304.415 3.026 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Cl)c1cccc(F)c1 ZINC000922563846 621057813 /nfs/dbraw/zinc/05/78/13/621057813.db2.gz MLEWYMBNDQAZKP-MRXNPFEDSA-N 1 0 309.768 3.182 20 10 DGCDRO Cc1cc(O)c(CN[C@@H](CC[NH+](C)C)c2cccnc2)cc1C ZINC000922628838 621069909 /nfs/dbraw/zinc/06/99/09/621069909.db2.gz URRURQAZZUKDQY-SFHVURJKSA-N 1 0 313.445 3.187 20 10 DGCDRO CC(C)(/C=C/Cl)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922648789 621073466 /nfs/dbraw/zinc/07/34/66/621073466.db2.gz PYGQDTUXPTYBKU-AATRIKPKSA-N 1 0 312.816 3.283 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000922693321 621080116 /nfs/dbraw/zinc/08/01/16/621080116.db2.gz FDLYAYUKMRXCNU-OCCSQVGLSA-N 1 0 303.324 3.290 20 10 DGCDRO FC(F)(F)[C@@H]1CC[C@H](CC[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000922679831 621080172 /nfs/dbraw/zinc/08/01/72/621080172.db2.gz RMSJWUKIORINBT-HIFRSBDPSA-N 1 0 315.335 3.211 20 10 DGCDRO Cc1cc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)nn1C ZINC000922689285 621081926 /nfs/dbraw/zinc/08/19/26/621081926.db2.gz FCOKAHAHRGVXBE-UHFFFAOYSA-N 1 0 321.424 3.433 20 10 DGCDRO FC(F)(F)[C@H]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000922698255 621084309 /nfs/dbraw/zinc/08/43/09/621084309.db2.gz WPXCSGGFJVZAIY-UKRRQHHQSA-N 1 0 315.335 3.211 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c1O ZINC000922813270 621102530 /nfs/dbraw/zinc/10/25/30/621102530.db2.gz PGAJPGFTRAFGCT-OAHLLOKOSA-N 1 0 305.418 3.372 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(C)ccc3O)C2)n1 ZINC000922864348 621110731 /nfs/dbraw/zinc/11/07/31/621110731.db2.gz DCHCTIMJLRSGMF-OCCSQVGLSA-N 1 0 301.390 3.072 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(N(C)C)cc3)C2)n1 ZINC000922872421 621112551 /nfs/dbraw/zinc/11/25/51/621112551.db2.gz KMZSHQWZTFQANZ-CABCVRRESA-N 1 0 314.433 3.124 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857868853 621125425 /nfs/dbraw/zinc/12/54/25/621125425.db2.gz DXXIYUIJDWXHOL-KBXCAEBGSA-N 1 0 312.461 3.382 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)c(O)c1C ZINC000857875140 621126606 /nfs/dbraw/zinc/12/66/06/621126606.db2.gz HFURNZDIKRYGBT-RDTXWAMCSA-N 1 0 324.424 3.373 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2c(C)noc2CC)ccc1OC ZINC000922987257 621143940 /nfs/dbraw/zinc/14/39/40/621143940.db2.gz CNWOXLPERDBFQI-UHFFFAOYSA-N 1 0 318.417 3.380 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](c2ccco2)N(C)C)cc1F ZINC000858086602 621151119 /nfs/dbraw/zinc/15/11/19/621151119.db2.gz CHUFQWIEFDRZQI-MRXNPFEDSA-N 1 0 323.387 3.016 20 10 DGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000858156851 621159633 /nfs/dbraw/zinc/15/96/33/621159633.db2.gz SGDXQHNXCVJXEL-GUYCJALGSA-N 1 0 312.404 3.324 20 10 DGCDRO CCn1cc([C@@H](C)[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000858173637 621161636 /nfs/dbraw/zinc/16/16/36/621161636.db2.gz DPVBEBFPOANTPR-SNVBAGLBSA-N 1 0 324.222 3.222 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1c(O)cccc1Br)CC(C)C ZINC000858179388 621162040 /nfs/dbraw/zinc/16/20/40/621162040.db2.gz MFNYJRAIRUUXIR-LLVKDONJSA-N 1 0 316.239 3.305 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cc1F ZINC000858186094 621162531 /nfs/dbraw/zinc/16/25/31/621162531.db2.gz QJBITCUVFHWASS-ROUUACIJSA-N 1 0 324.415 3.468 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1C ZINC000858210611 621165137 /nfs/dbraw/zinc/16/51/37/621165137.db2.gz BTZJSRDJNWMFOQ-UHFFFAOYSA-N 1 0 313.323 3.051 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000858212016 621165205 /nfs/dbraw/zinc/16/52/05/621165205.db2.gz OEMYZPJYMKSKGI-AWEZNQCLSA-N 1 0 303.789 3.277 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858245118 621167607 /nfs/dbraw/zinc/16/76/07/621167607.db2.gz CHNMUBOTCVZDLO-POZKEBTKSA-N 1 0 301.478 3.087 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cnc(C)nc2)c(C)n1-c1ccccc1 ZINC000858293943 621172528 /nfs/dbraw/zinc/17/25/28/621172528.db2.gz RSYDMDUODIHFBN-UHFFFAOYSA-N 1 0 306.413 3.482 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1N(C)C ZINC000923327622 621176500 /nfs/dbraw/zinc/17/65/00/621176500.db2.gz DWEFTRFJKUNNKB-ROUUACIJSA-N 1 0 301.478 3.025 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(F)ccc1O ZINC000858448560 621192347 /nfs/dbraw/zinc/19/23/47/621192347.db2.gz CKKAYOBUKAKWDY-TVQRCGJNSA-N 1 0 317.286 3.182 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)c(O)c1 ZINC000858478703 621196323 /nfs/dbraw/zinc/19/63/23/621196323.db2.gz AIVVDRIHRNUGEJ-KBPBESRZSA-N 1 0 312.404 3.389 20 10 DGCDRO C[C@H]([NH2+]CCN(C)CC(F)F)c1cc2c(cc1O)CCCC2 ZINC000858596644 621208679 /nfs/dbraw/zinc/20/86/79/621208679.db2.gz IAXSFORWPWMUSA-LBPRGKRZSA-N 1 0 312.404 3.119 20 10 DGCDRO COCc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)no1 ZINC000838831734 621286277 /nfs/dbraw/zinc/28/62/77/621286277.db2.gz ZPAVDVDBOBAMAC-UHFFFAOYSA-N 1 0 316.401 3.471 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1ccccc1O ZINC000839184896 621345223 /nfs/dbraw/zinc/34/52/23/621345223.db2.gz MGXAUILXSDWXTB-YJBOKZPZSA-N 1 0 315.413 3.218 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1(C2CCC2)CCC1 ZINC000839187320 621345861 /nfs/dbraw/zinc/34/58/61/621345861.db2.gz VAGJJKQCJMAICK-UHFFFAOYSA-N 1 0 300.446 3.336 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1 ZINC000839192784 621347765 /nfs/dbraw/zinc/34/77/65/621347765.db2.gz TUJZQTCYVGOGHR-HZPDHXFCSA-N 1 0 307.434 3.473 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000754736872 621529379 /nfs/dbraw/zinc/52/93/79/621529379.db2.gz ONVIWAIOOLOVSE-MAUKXSAKSA-N 1 0 307.434 3.345 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1C ZINC000754834076 621536056 /nfs/dbraw/zinc/53/60/56/621536056.db2.gz OBGCPVDONDFZHS-NXHRZFHOSA-N 1 0 301.430 3.441 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)CCC(F)(F)F ZINC000755220859 621559468 /nfs/dbraw/zinc/55/94/68/621559468.db2.gz UEXKVGYMODLHAN-UHFFFAOYSA-N 1 0 318.383 3.368 20 10 DGCDRO CCC1(CO)CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862246974 621567364 /nfs/dbraw/zinc/56/73/64/621567364.db2.gz FBRFPCUQVAVBJB-UHFFFAOYSA-N 1 0 312.404 3.015 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@]3(C)CCCS3)CC2)cc1F ZINC000862251694 621568180 /nfs/dbraw/zinc/56/81/80/621568180.db2.gz LKPKCQVQSBXTLB-KRWDZBQOSA-N 1 0 324.465 3.242 20 10 DGCDRO COC(=O)CC1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000862369040 621579865 /nfs/dbraw/zinc/57/98/65/621579865.db2.gz SDIVFRNIZLKLQX-HSBZDZAISA-N 1 0 321.417 3.173 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](CCO)CC2)cc1F ZINC000862397654 621584449 /nfs/dbraw/zinc/58/44/49/621584449.db2.gz VIOJSTLFDHMAAL-ZDUSSCGKSA-N 1 0 312.404 3.015 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccnc(F)c2C)cc1 ZINC000862403747 621585740 /nfs/dbraw/zinc/58/57/40/621585740.db2.gz WJEALGSZHZIQKF-UHFFFAOYSA-N 1 0 317.408 3.106 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862432603 621589269 /nfs/dbraw/zinc/58/92/69/621589269.db2.gz KDYNHBNLXWSRML-KRWDZBQOSA-N 1 0 321.804 3.057 20 10 DGCDRO C[C@@H]1C[NH+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1(F)F ZINC000862442582 621590323 /nfs/dbraw/zinc/59/03/23/621590323.db2.gz IRZQSBBJVOYZEL-HUUCEWRRSA-N 1 0 324.415 3.246 20 10 DGCDRO COc1cc(O)c(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1OC ZINC000862445025 621590869 /nfs/dbraw/zinc/59/08/69/621590869.db2.gz ZZHDRXHDFFYINL-GHMZBOCLSA-N 1 0 315.360 3.133 20 10 DGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(C)c1O ZINC000862468447 621592797 /nfs/dbraw/zinc/59/27/97/621592797.db2.gz IHTJFUZIWSGEHD-UHFFFAOYSA-N 1 0 308.422 3.047 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C[C@H]1C ZINC000862476442 621593674 /nfs/dbraw/zinc/59/36/74/621593674.db2.gz UJKRBFJVARDGRB-FVQBIDKESA-N 1 0 305.418 3.158 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1O ZINC000862482652 621594374 /nfs/dbraw/zinc/59/43/74/621594374.db2.gz KNQKZUVBCLDMGZ-FQEVSTJZSA-N 1 0 311.425 3.438 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000862486098 621594744 /nfs/dbraw/zinc/59/47/44/621594744.db2.gz VNOZKPUCBAGRSY-DZGCQCFKSA-N 1 0 305.418 3.192 20 10 DGCDRO CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862540327 621598575 /nfs/dbraw/zinc/59/85/75/621598575.db2.gz CKUKRAIBSKLUAB-ZDUSSCGKSA-N 1 0 322.449 3.300 20 10 DGCDRO C[C@@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000755929382 621604731 /nfs/dbraw/zinc/60/47/31/621604731.db2.gz BWJQXEGPDUABIE-LJQANCHMSA-N 1 0 311.381 3.285 20 10 DGCDRO Cc1cc(CC[NH2+]Cc2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000755996817 621609097 /nfs/dbraw/zinc/60/90/97/621609097.db2.gz BDUBYKYYWLPTEP-UHFFFAOYSA-N 1 0 322.456 3.468 20 10 DGCDRO CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756393717 621635159 /nfs/dbraw/zinc/63/51/59/621635159.db2.gz TULCOGPYRITYFS-LBPRGKRZSA-N 1 0 312.404 3.441 20 10 DGCDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000756395259 621635193 /nfs/dbraw/zinc/63/51/93/621635193.db2.gz IKNVOTPYGWITBM-LLVKDONJSA-N 1 0 318.804 3.256 20 10 DGCDRO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cc(Cl)ccc1O ZINC000756399021 621635657 /nfs/dbraw/zinc/63/56/57/621635657.db2.gz LVLVFYLNTBWGMC-NSHDSACASA-N 1 0 322.836 3.097 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2C[C@H](C)C[C@H](C)C2)c1 ZINC000756415904 621636749 /nfs/dbraw/zinc/63/67/49/621636749.db2.gz MDOQGGONRNWQJM-ZNMIVQPWSA-N 1 0 306.450 3.029 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCN2CCC[C@@H](C)C2)c2c1c(F)ccc2O ZINC000756414864 621636875 /nfs/dbraw/zinc/63/68/75/621636875.db2.gz JFBOKUICXUDPBP-NFAWXSAZSA-N 1 0 306.425 3.401 20 10 DGCDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(Cl)ccc1O ZINC000756474781 621640482 /nfs/dbraw/zinc/64/04/82/621640482.db2.gz DOEGXRVXNQIIHC-LBPRGKRZSA-N 1 0 318.804 3.013 20 10 DGCDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756495485 621641927 /nfs/dbraw/zinc/64/19/27/621641927.db2.gz RQCDGMGXXGPOFJ-ZIAGYGMSSA-N 1 0 311.429 3.343 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c2c1c(F)ccc2O ZINC000756517952 621644604 /nfs/dbraw/zinc/64/46/04/621644604.db2.gz RIRWOGJETOWBCE-CMPLNLGQSA-N 1 0 324.396 3.194 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000756539953 621646748 /nfs/dbraw/zinc/64/67/48/621646748.db2.gz YBFUQFLFHZCXED-LLVKDONJSA-N 1 0 313.323 3.310 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c2c1c(F)ccc2O ZINC000756568405 621649596 /nfs/dbraw/zinc/64/95/96/621649596.db2.gz DSNPPJMIGDZZQD-MWLCHTKSSA-N 1 0 320.330 3.163 20 10 DGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)C(C)C ZINC000756628078 621653582 /nfs/dbraw/zinc/65/35/82/621653582.db2.gz VEFIAZPXFHGOCJ-QMTHXVAHSA-N 1 0 316.239 3.476 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2csc(N(C)C)n2)c2c1c(F)ccc2O ZINC000756635786 621654577 /nfs/dbraw/zinc/65/45/77/621654577.db2.gz HMQDFHHSVZEJJO-CABZTGNLSA-N 1 0 321.421 3.392 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2O)c2c1c(F)ccc2O ZINC000756641360 621655325 /nfs/dbraw/zinc/65/53/25/621655325.db2.gz VBKBWIPSKXSEFO-JMHDJWDWSA-N 1 0 313.372 3.328 20 10 DGCDRO COC(C)(C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756645634 621655564 /nfs/dbraw/zinc/65/55/64/621655564.db2.gz HFMKJKFSDAJKIW-SECBINFHSA-N 1 0 302.212 3.230 20 10 DGCDRO C[C@@H]([NH2+]CCCNc1ncccn1)c1ccc2ccccc2c1O ZINC000756643124 621655845 /nfs/dbraw/zinc/65/58/45/621655845.db2.gz ROIOGIUQAAZBMF-CQSZACIVSA-N 1 0 322.412 3.488 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)c(O)c1 ZINC000756659202 621656962 /nfs/dbraw/zinc/65/69/62/621656962.db2.gz PKMLKTTUHGTPDG-NSHDSACASA-N 1 0 313.323 3.310 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccco2)c2c1c(F)ccc2O ZINC000756659294 621657050 /nfs/dbraw/zinc/65/70/50/621657050.db2.gz CQHLPTKZDZUUQW-XUJVJEKNSA-N 1 0 319.376 3.113 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756710664 621659762 /nfs/dbraw/zinc/65/97/62/621659762.db2.gz DWZKPKUKVSZVLT-PBHICJAKSA-N 1 0 315.413 3.402 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1cc(F)ccc1O ZINC000756712036 621659993 /nfs/dbraw/zinc/65/99/93/621659993.db2.gz PDXRXTFFAZHRRL-DCGLDWPTSA-N 1 0 303.377 3.347 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)CC3(C)COC3)c2c1 ZINC000863299264 621661532 /nfs/dbraw/zinc/66/15/32/621661532.db2.gz ZFEDOUHXIUVBIQ-UHFFFAOYSA-N 1 0 301.386 3.022 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c(O)c1C ZINC000756741490 621661917 /nfs/dbraw/zinc/66/19/17/621661917.db2.gz FTJNUSDHKUXAEY-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO Cc1cccc(NCC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000756746182 621662322 /nfs/dbraw/zinc/66/23/22/621662322.db2.gz IOEKDYMBGDHKQB-BXUZGUMPSA-N 1 0 315.392 3.485 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1cc(F)ccc1O ZINC000756756969 621662359 /nfs/dbraw/zinc/66/23/59/621662359.db2.gz ASUJKEMUWOOWLQ-OCCSQVGLSA-N 1 0 317.360 3.412 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000756762555 621662727 /nfs/dbraw/zinc/66/27/27/621662727.db2.gz PJHJIOGDZBEECP-PBHICJAKSA-N 1 0 316.445 3.285 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000756762566 621662731 /nfs/dbraw/zinc/66/27/31/621662731.db2.gz PJHJIOGDZBEECP-YOEHRIQHSA-N 1 0 316.445 3.285 20 10 DGCDRO C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(F)ccc1O ZINC000756768675 621663446 /nfs/dbraw/zinc/66/34/46/621663446.db2.gz FZYFXGYQBICMCX-LLVKDONJSA-N 1 0 301.365 3.092 20 10 DGCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000756775747 621663782 /nfs/dbraw/zinc/66/37/82/621663782.db2.gz SLNVGFYXALSTJA-CSMYWGQOSA-N 1 0 312.413 3.111 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(CCCC3)O2)c2c1c(F)ccc2O ZINC000756785954 621664371 /nfs/dbraw/zinc/66/43/71/621664371.db2.gz HCVLLGGNJFRMRW-MBNYWOFBSA-N 1 0 321.392 3.355 20 10 DGCDRO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc2ccccc2c1O ZINC000756792121 621664864 /nfs/dbraw/zinc/66/48/64/621664864.db2.gz YSLKGMFFSKLENP-ZDUSSCGKSA-N 1 0 322.412 3.252 20 10 DGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(F)(F)F ZINC000756835502 621667120 /nfs/dbraw/zinc/66/71/20/621667120.db2.gz NJMZZDJXSVRUQT-ZUZCIYMTSA-N 1 0 317.351 3.499 20 10 DGCDRO Oc1ccccc1C[N@H+](CCOCC1CC1)Cc1ccco1 ZINC000119482488 621678281 /nfs/dbraw/zinc/67/82/81/621678281.db2.gz ZPJUMQCKTGVTDN-UHFFFAOYSA-N 1 0 301.386 3.414 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000757652882 621731023 /nfs/dbraw/zinc/73/10/23/621731023.db2.gz GONDENUWEGJFFR-UONOGXRCSA-N 1 0 319.401 3.292 20 10 DGCDRO C[C@H]([NH2+]C1COC(C)(C)OC1)c1ccc2ccccc2c1O ZINC000757698836 621734153 /nfs/dbraw/zinc/73/41/53/621734153.db2.gz UFASITAHRVSRDE-LBPRGKRZSA-N 1 0 301.386 3.348 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000758062592 621756215 /nfs/dbraw/zinc/75/62/15/621756215.db2.gz LSJTVVMBBBWQOZ-GOSISDBHSA-N 1 0 305.418 3.182 20 10 DGCDRO CCOc1cccc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c1O ZINC000758499667 621785305 /nfs/dbraw/zinc/78/53/05/621785305.db2.gz STVKGMRRDFQZKV-INIZCTEOSA-N 1 0 307.434 3.476 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC=C(c3ccccc3)C1)[C@H](O)CO2 ZINC000789545226 625521931 /nfs/dbraw/zinc/52/19/31/625521931.db2.gz FJOLYZYIHPTHOK-LJQANCHMSA-N 1 0 323.392 3.107 20 10 DGCDRO CS[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000865733940 621985567 /nfs/dbraw/zinc/98/55/67/621985567.db2.gz BDWANHRDQHSYGB-XYPYZODXSA-N 1 0 302.237 3.138 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1O ZINC000761193414 621993343 /nfs/dbraw/zinc/99/33/43/621993343.db2.gz AWKSVLHHQQAECF-AWEZNQCLSA-N 1 0 321.808 3.088 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000865860264 622010485 /nfs/dbraw/zinc/01/04/85/622010485.db2.gz UECZDCIRQBASLR-MOPGFXCFSA-N 1 0 300.446 3.478 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1C ZINC000762619168 622086950 /nfs/dbraw/zinc/08/69/50/622086950.db2.gz XQCFYZMQZJGLQL-KBMXLJTQSA-N 1 0 309.500 3.473 20 10 DGCDRO C[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)CC1(C)OCCO1 ZINC000866426268 622116443 /nfs/dbraw/zinc/11/64/43/622116443.db2.gz XIUMRJLXNNQFQZ-OBJOEFQTSA-N 1 0 323.408 3.458 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000866463171 622122315 /nfs/dbraw/zinc/12/23/15/622122315.db2.gz KMENWGFHYRTGSS-YVZVNANGSA-N 1 0 311.731 3.316 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)on1 ZINC000866515254 622130985 /nfs/dbraw/zinc/13/09/85/622130985.db2.gz FBIJGDUUJZESKT-LBPRGKRZSA-N 1 0 318.373 3.025 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000866536303 622134406 /nfs/dbraw/zinc/13/44/06/622134406.db2.gz CURWPYOCMDOKLW-LJHODMEESA-N 1 0 302.462 3.466 20 10 DGCDRO C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccc(F)cc1[O-] ZINC000866572534 622140853 /nfs/dbraw/zinc/14/08/53/622140853.db2.gz BXJGLYXXVVAOOO-LBPRGKRZSA-N 1 0 313.376 3.311 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1cc(F)ccc1O ZINC000866640230 622152473 /nfs/dbraw/zinc/15/24/73/622152473.db2.gz CKKZHDLXQLPKGE-LLVKDONJSA-N 1 0 316.376 3.362 20 10 DGCDRO O=c1[nH]c2c(cc1C[NH2+][C@H]1CCc3cccc(O)c31)CCCC2 ZINC000866642105 622152788 /nfs/dbraw/zinc/15/27/88/622152788.db2.gz CGTSLZMWJRUYNT-INIZCTEOSA-N 1 0 310.397 3.149 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CC3(CC3)C(=O)O2)cc1 ZINC000763651604 622157221 /nfs/dbraw/zinc/15/72/21/622157221.db2.gz KOKGEZBYRMEHRG-QGZVFWFLSA-N 1 0 316.445 3.060 20 10 DGCDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765287483 622256843 /nfs/dbraw/zinc/25/68/43/622256843.db2.gz QBJFQPUBHUHTRW-YJBOKZPZSA-N 1 0 320.452 3.455 20 10 DGCDRO COC[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765331702 622259934 /nfs/dbraw/zinc/25/99/34/622259934.db2.gz TZGBPCWDUMFFFO-AEFFLSMTSA-N 1 0 320.477 3.235 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)OC)C2)cc1 ZINC000765628113 622278015 /nfs/dbraw/zinc/27/80/15/622278015.db2.gz BISYORDQEDJGDR-ZBFHGGJFSA-N 1 0 319.449 3.024 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)cc1 ZINC000765873609 622292170 /nfs/dbraw/zinc/29/21/70/622292170.db2.gz OCNZLAROFHONSN-YJBOKZPZSA-N 1 0 301.478 3.278 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN(C)CC(F)(F)F)cc1 ZINC000765928026 622294665 /nfs/dbraw/zinc/29/46/65/622294665.db2.gz KDEMCIZYOMNANZ-ZDUSSCGKSA-N 1 0 317.399 3.287 20 10 DGCDRO CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765935491 622295252 /nfs/dbraw/zinc/29/52/52/622295252.db2.gz GGWKHRUZTXWTAY-BTYIYWSLSA-N 1 0 308.491 3.096 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000789721676 625559210 /nfs/dbraw/zinc/55/92/10/625559210.db2.gz JIGPSUJPMTZZHQ-UHFFFAOYSA-N 1 0 310.401 3.368 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2cccc(OC)c2)c(O)c1 ZINC000768164406 622442706 /nfs/dbraw/zinc/44/27/06/622442706.db2.gz ZNGHIIMVKHYHAA-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO CC(C)[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768437807 622455609 /nfs/dbraw/zinc/45/56/09/622455609.db2.gz IKCSKMOWLBAMGG-SFHVURJKSA-N 1 0 313.397 3.229 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCCc3sccc3C2)cc1OC ZINC000768449489 622456743 /nfs/dbraw/zinc/45/67/43/622456743.db2.gz GZVVUCIFDSEFBH-UHFFFAOYSA-N 1 0 319.426 3.419 20 10 DGCDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445151 622456907 /nfs/dbraw/zinc/45/69/07/622456907.db2.gz QEYVBTQFPLLXSW-CJNGLKHVSA-N 1 0 305.418 3.219 20 10 DGCDRO COC(=O)[C@H](C)C[N@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000768451285 622457473 /nfs/dbraw/zinc/45/74/73/622457473.db2.gz MIYZCPRBSDCXNL-CYBMUJFWSA-N 1 0 317.429 3.045 20 10 DGCDRO CC(C)CCC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768463651 622457970 /nfs/dbraw/zinc/45/79/70/622457970.db2.gz KXYWYNWPRYKXTJ-GOSISDBHSA-N 1 0 319.445 3.466 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000768527856 622461910 /nfs/dbraw/zinc/46/19/10/622461910.db2.gz AZRYOYGBCKJCQY-UHFFFAOYSA-N 1 0 313.397 3.444 20 10 DGCDRO CCC[N@H+](Cc1ccc2c(c1)nnn2C)Cc1ccccc1O ZINC000768531018 622462511 /nfs/dbraw/zinc/46/25/11/622462511.db2.gz STYSIOZGUKZGIZ-UHFFFAOYSA-N 1 0 310.401 3.086 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)cc1 ZINC000768841646 622480076 /nfs/dbraw/zinc/48/00/76/622480076.db2.gz MHYXOCNXVITZTC-HOTGVXAUSA-N 1 0 316.445 3.238 20 10 DGCDRO COc1cc2c(cc1C[N@H+](C)Cc1ccccc1O)O[C@@H](C)C2 ZINC000768872050 622482154 /nfs/dbraw/zinc/48/21/54/622482154.db2.gz AOFQYXKJPLXNTR-ZDUSSCGKSA-N 1 0 313.397 3.356 20 10 DGCDRO Oc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000769191814 622506894 /nfs/dbraw/zinc/50/68/94/622506894.db2.gz MYXYTJWXPYDFKT-UHFFFAOYSA-N 1 0 303.789 3.352 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCN(C)c3ccccc3C2)c1O ZINC000769320734 622517117 /nfs/dbraw/zinc/51/71/17/622517117.db2.gz VZYBESUNWNMOLH-UHFFFAOYSA-N 1 0 312.413 3.243 20 10 DGCDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769414520 622526154 /nfs/dbraw/zinc/52/61/54/622526154.db2.gz CPNHMGJOVNYGOV-OAHLLOKOSA-N 1 0 306.425 3.427 20 10 DGCDRO COc1ccccc1[C@H]1CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769472663 622530836 /nfs/dbraw/zinc/53/08/36/622530836.db2.gz HVXDVQMGZHQLCY-AWEZNQCLSA-N 1 0 313.397 3.399 20 10 DGCDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769503847 622535096 /nfs/dbraw/zinc/53/50/96/622535096.db2.gz OTHNUVPGHVGNJZ-NSHDSACASA-N 1 0 311.809 3.209 20 10 DGCDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000769516421 622537484 /nfs/dbraw/zinc/53/74/84/622537484.db2.gz UWIKJASKZZIUJY-AWEZNQCLSA-N 1 0 308.853 3.209 20 10 DGCDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1c(O)cccc1Cl ZINC000769538702 622539295 /nfs/dbraw/zinc/53/92/95/622539295.db2.gz UTGBBVZZMCFZFL-AWEZNQCLSA-N 1 0 305.809 3.289 20 10 DGCDRO CC(C)OC1CC([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000769938120 622579980 /nfs/dbraw/zinc/57/99/80/622579980.db2.gz UGSMFUPOSHLBIA-UHFFFAOYSA-N 1 0 314.223 3.200 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000770374989 622626953 /nfs/dbraw/zinc/62/69/53/622626953.db2.gz PMYCBBQNBZIEDN-CVEARBPZSA-N 1 0 306.425 3.140 20 10 DGCDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C1=CC(=O)CS1 ZINC000770413250 622631774 /nfs/dbraw/zinc/63/17/74/622631774.db2.gz YECGRQRJGOEGPT-UHFFFAOYSA-N 1 0 316.426 3.344 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770665025 622657630 /nfs/dbraw/zinc/65/76/30/622657630.db2.gz NLYIPHDJWUNMCA-LJQANCHMSA-N 1 0 311.381 3.032 20 10 DGCDRO CCC[NH+]1CCC(N(C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000123820133 622714869 /nfs/dbraw/zinc/71/48/69/622714869.db2.gz YGUKFMMUXZAAFP-UHFFFAOYSA-N 1 0 307.457 3.198 20 10 DGCDRO COc1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cc1C ZINC000771200932 622726631 /nfs/dbraw/zinc/72/66/31/622726631.db2.gz FAVWLXVFOCMELE-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO C[NH+]1CCN(c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)CC1 ZINC000771513478 622771080 /nfs/dbraw/zinc/77/10/80/622771080.db2.gz MBTFKTTUBRVTDW-UHFFFAOYSA-N 1 0 310.376 3.121 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)c1 ZINC000872109600 622811907 /nfs/dbraw/zinc/81/19/07/622811907.db2.gz OWSSCFQSJREEEH-NSHDSACASA-N 1 0 313.323 3.267 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000771935584 622820005 /nfs/dbraw/zinc/82/00/05/622820005.db2.gz YSFJWXUUVPLEAM-FQEVSTJZSA-N 1 0 309.457 3.241 20 10 DGCDRO CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000872252091 622868002 /nfs/dbraw/zinc/86/80/02/622868002.db2.gz OWQVUZCCGPFDHS-LBPRGKRZSA-N 1 0 300.805 3.053 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)cc1 ZINC000772237955 622871250 /nfs/dbraw/zinc/87/12/50/622871250.db2.gz SDRYZYHBAGDAPL-OAHLLOKOSA-N 1 0 319.493 3.316 20 10 DGCDRO COc1cc(CN2CCC(C)([NH+]3CCCC3)CC2)c(O)cc1C ZINC000872645582 622947773 /nfs/dbraw/zinc/94/77/73/622947773.db2.gz RUALWJQFSMUGET-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](C(F)F)CC1)CCCC2 ZINC000872681832 622952694 /nfs/dbraw/zinc/95/26/94/622952694.db2.gz UVEXNSKQWXYIRF-INIZCTEOSA-N 1 0 311.372 3.127 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000773083162 622980190 /nfs/dbraw/zinc/98/01/90/622980190.db2.gz KOQDNMQLPKKTBG-QFBILLFUSA-N 1 0 318.461 3.211 20 10 DGCDRO C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(N(C)C)cc1 ZINC000773107537 622984754 /nfs/dbraw/zinc/98/47/54/622984754.db2.gz XEYDABVMLORIQN-AWEZNQCLSA-N 1 0 310.445 3.313 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccccn2)cc1Cn1cccn1 ZINC000873007072 623016057 /nfs/dbraw/zinc/01/60/57/623016057.db2.gz DUXAKTNYRJTSPN-OAHLLOKOSA-N 1 0 322.412 3.186 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cccnc2)cc1Cn1cccn1 ZINC000873009247 623016976 /nfs/dbraw/zinc/01/69/76/623016976.db2.gz ZXSJQOLSXSDHFV-OAHLLOKOSA-N 1 0 322.412 3.186 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)CO[C@H]2CCOC2)cc1C ZINC000873074267 623030928 /nfs/dbraw/zinc/03/09/28/623030928.db2.gz KSICRADSPSCWDT-RDJZCZTQSA-N 1 0 307.434 3.067 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCCO[C@H]2CCOC2)cc1C ZINC000873074999 623031120 /nfs/dbraw/zinc/03/11/20/623031120.db2.gz PLZYOMXYZYHCPD-KRWDZBQOSA-N 1 0 307.434 3.069 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2(COC)CCOCC2)cc1C ZINC000873127676 623042371 /nfs/dbraw/zinc/04/23/71/623042371.db2.gz SSFACYBKHYFZAS-UHFFFAOYSA-N 1 0 321.461 3.317 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1C ZINC000873131261 623044211 /nfs/dbraw/zinc/04/42/11/623044211.db2.gz QSIPGTGXSLEOBS-DLBZAZTESA-N 1 0 316.445 3.027 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000873157942 623056843 /nfs/dbraw/zinc/05/68/43/623056843.db2.gz NWGCYWKKSUQGPU-UHFFFAOYSA-N 1 0 319.714 3.051 20 10 DGCDRO O=C1OCC[C@H]1CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000873163919 623058442 /nfs/dbraw/zinc/05/84/42/623058442.db2.gz VUTQWRSMRALAEG-QGZVFWFLSA-N 1 0 316.445 3.110 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000773732205 623064422 /nfs/dbraw/zinc/06/44/22/623064422.db2.gz ZKLOLBIDKWXSQR-KRWDZBQOSA-N 1 0 312.461 3.256 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000873182747 623065373 /nfs/dbraw/zinc/06/53/73/623065373.db2.gz SPELXLYHYOHAJD-HDJSIYSDSA-N 1 0 321.417 3.001 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232625 623085198 /nfs/dbraw/zinc/08/51/98/623085198.db2.gz JEVICFLSOZGGLP-OAHLLOKOSA-N 1 0 308.853 3.448 20 10 DGCDRO C[C@H]([NH2+]CCCCC1(C)OCCO1)c1ccc(N(C)C)cc1 ZINC000774383943 623138443 /nfs/dbraw/zinc/13/84/43/623138443.db2.gz MZLCXTXRSGJKSK-HNNXBMFYSA-N 1 0 306.450 3.337 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)cc1 ZINC000774467948 623149107 /nfs/dbraw/zinc/14/91/07/623149107.db2.gz FYLYALPERMOXBP-YJBOKZPZSA-N 1 0 318.461 3.479 20 10 DGCDRO CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000774483971 623151409 /nfs/dbraw/zinc/15/14/09/623151409.db2.gz NXTQKCXDIZJEQT-HOTGVXAUSA-N 1 0 319.493 3.437 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCCCCC1 ZINC000774486733 623151925 /nfs/dbraw/zinc/15/19/25/623151925.db2.gz XMDRHKHZNRUSFV-HZPDHXFCSA-N 1 0 317.477 3.194 20 10 DGCDRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000774824691 623196580 /nfs/dbraw/zinc/19/65/80/623196580.db2.gz ODTNEFZYOZAHTP-UHFFFAOYSA-N 1 0 307.825 3.118 20 10 DGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000124927604 623257342 /nfs/dbraw/zinc/25/73/42/623257342.db2.gz IBBWIIHDVJCZLC-CYBMUJFWSA-N 1 0 324.852 3.174 20 10 DGCDRO COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000775369844 623261534 /nfs/dbraw/zinc/26/15/34/623261534.db2.gz SQNUJLQVHCYTAR-QWRGUYRKSA-N 1 0 319.357 3.192 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCC[C@H]3OC)CC2)cc1 ZINC000775420484 623273530 /nfs/dbraw/zinc/27/35/30/623273530.db2.gz XSLDJRPBJMAQMM-DNVCBOLYSA-N 1 0 318.461 3.069 20 10 DGCDRO CC[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775487703 623279090 /nfs/dbraw/zinc/27/90/90/623279090.db2.gz NVFQUCUOSGHKMQ-HOCLYGCPSA-N 1 0 318.804 3.313 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cc(Cl)ccc1O ZINC000775499352 623281018 /nfs/dbraw/zinc/28/10/18/623281018.db2.gz BWKLQXIHKAWVCX-TZMCWYRMSA-N 1 0 320.824 3.001 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cc(Cl)ccc1O ZINC000775499344 623281081 /nfs/dbraw/zinc/28/10/81/623281081.db2.gz BWKLQXIHKAWVCX-GXTWGEPZSA-N 1 0 320.824 3.001 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccccc1O ZINC000775504315 623281470 /nfs/dbraw/zinc/28/14/70/623281470.db2.gz XKDWXNWWDHYGRK-AEFFLSMTSA-N 1 0 318.461 3.076 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(Cl)ccc1O ZINC000775513253 623282207 /nfs/dbraw/zinc/28/22/07/623282207.db2.gz OXYMZPRANKHPLS-OCCSQVGLSA-N 1 0 305.809 3.367 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1cc(Cl)ccc1O ZINC000775523891 623284145 /nfs/dbraw/zinc/28/41/45/623284145.db2.gz NSYSIIJJPYAWLF-UONOGXRCSA-N 1 0 310.825 3.096 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O ZINC000775526087 623285268 /nfs/dbraw/zinc/28/52/68/623285268.db2.gz IXJXSBXHNBXLSR-TZMCWYRMSA-N 1 0 324.852 3.486 20 10 DGCDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000775578225 623292443 /nfs/dbraw/zinc/29/24/43/623292443.db2.gz IXALSBHGPSJRMA-UPJWGTAASA-N 1 0 324.396 3.049 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1O ZINC000775656436 623306682 /nfs/dbraw/zinc/30/66/82/623306682.db2.gz UQFPSZGJQBKMRX-UHFFFAOYSA-N 1 0 319.408 3.445 20 10 DGCDRO Cc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1O ZINC000775676902 623312243 /nfs/dbraw/zinc/31/22/43/623312243.db2.gz AHNDOYZAIBLBPJ-MRXNPFEDSA-N 1 0 308.853 3.414 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775829945 623338405 /nfs/dbraw/zinc/33/84/05/623338405.db2.gz BEMNUBYAXSGBMQ-XHSDSOJGSA-N 1 0 317.477 3.193 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2ccc(C)c(F)c2)cc1OC ZINC000775829221 623338662 /nfs/dbraw/zinc/33/86/62/623338662.db2.gz WZCPCJQBAVLMRP-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1ccccc1O ZINC000775969631 623357896 /nfs/dbraw/zinc/35/78/96/623357896.db2.gz YMONDFKVLIQLKS-KGLIPLIRSA-N 1 0 320.433 3.222 20 10 DGCDRO Cn1c(C[NH2+]Cc2cc(F)ccc2O)nc2cccc(Cl)c21 ZINC000775983294 623360355 /nfs/dbraw/zinc/36/03/55/623360355.db2.gz LNPALIJCTYVTGW-UHFFFAOYSA-N 1 0 319.767 3.361 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000776007835 623363338 /nfs/dbraw/zinc/36/33/38/623363338.db2.gz KFKWDJVRHFLDGV-UHFFFAOYSA-N 1 0 305.418 3.184 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000776094608 623376159 /nfs/dbraw/zinc/37/61/59/623376159.db2.gz RAPMXRFZYLHMET-KRWDZBQOSA-N 1 0 312.413 3.010 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)C12CCCC2 ZINC000776224581 623399546 /nfs/dbraw/zinc/39/95/46/623399546.db2.gz UKBWLULIUNRRQB-DLBZAZTESA-N 1 0 305.418 3.228 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2c(C)cccc2F)cc1OC ZINC000776221525 623399795 /nfs/dbraw/zinc/39/97/95/623399795.db2.gz WBNOEFJKBHXODX-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2CCCC(F)(F)C2)cc1OC ZINC000776249224 623401007 /nfs/dbraw/zinc/40/10/07/623401007.db2.gz SRKOYYYHUXPJNV-NSHDSACASA-N 1 0 301.333 3.077 20 10 DGCDRO CC(C)COC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000776581875 623443172 /nfs/dbraw/zinc/44/31/72/623443172.db2.gz IHNNHAGWUYFJON-UHFFFAOYSA-N 1 0 305.418 3.336 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c(O)cc1C ZINC000776771822 623461776 /nfs/dbraw/zinc/46/17/76/623461776.db2.gz LCSPSLMHCXHFHN-MRXNPFEDSA-N 1 0 305.418 3.100 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2ccccc2O)C1 ZINC000776864626 623472869 /nfs/dbraw/zinc/47/28/69/623472869.db2.gz MIGNGHHZHWNFTG-ZNMIVQPWSA-N 1 0 320.433 3.300 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c(O)c1 ZINC000776948544 623478669 /nfs/dbraw/zinc/47/86/69/623478669.db2.gz FKSXFNCWOLXYMZ-NVXWUHKLSA-N 1 0 307.434 3.474 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000777012291 623485431 /nfs/dbraw/zinc/48/54/31/623485431.db2.gz PCYBNDGKFMKGFQ-KBPBESRZSA-N 1 0 304.356 3.371 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000125757493 623540680 /nfs/dbraw/zinc/54/06/80/623540680.db2.gz HJKMTVUVNITIID-TZMCWYRMSA-N 1 0 315.383 3.040 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000125757646 623540748 /nfs/dbraw/zinc/54/07/48/623540748.db2.gz HJKMTVUVNITIID-JSGCOSHPSA-N 1 0 315.383 3.040 20 10 DGCDRO CC(C)C1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000777561208 623541772 /nfs/dbraw/zinc/54/17/72/623541772.db2.gz GWJDGKQOPLMLBG-MRXNPFEDSA-N 1 0 305.418 3.076 20 10 DGCDRO COCC[N@H+](Cc1cc(C)cc(OC)c1O)[C@H]1CC[C@H](C)C1 ZINC000790479517 625659559 /nfs/dbraw/zinc/65/95/59/625659559.db2.gz PHKOVLBQNBJJQH-BBRMVZONSA-N 1 0 307.434 3.346 20 10 DGCDRO CO[C@](C)(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000876531850 623635191 /nfs/dbraw/zinc/63/51/91/623635191.db2.gz RCAYMRIUNFIJIX-IEBWSBKVSA-N 1 0 319.445 3.188 20 10 DGCDRO CC[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000876551292 623641617 /nfs/dbraw/zinc/64/16/17/623641617.db2.gz OLWFFJGUMGYYLU-VQIMIIECSA-N 1 0 320.477 3.016 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000876684505 623681427 /nfs/dbraw/zinc/68/14/27/623681427.db2.gz PAQBVJOTKCDHHU-UHFFFAOYSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1ccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000876773498 623702984 /nfs/dbraw/zinc/70/29/84/623702984.db2.gz SKVICCNFPPVZPI-OAQYLSRUSA-N 1 0 303.427 3.070 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(O)c1 ZINC000876818803 623715775 /nfs/dbraw/zinc/71/57/75/623715775.db2.gz YEOPNWXYROTBNI-OAHLLOKOSA-N 1 0 312.417 3.076 20 10 DGCDRO C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCO1 ZINC000778991584 623717344 /nfs/dbraw/zinc/71/73/44/623717344.db2.gz AQNPFXNPPHPUKK-JFIYKMOQSA-N 1 0 319.445 3.188 20 10 DGCDRO CN(Cc1cc(F)ccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778996708 623718236 /nfs/dbraw/zinc/71/82/36/623718236.db2.gz XSIZJXOWALBNIZ-SFHVURJKSA-N 1 0 314.404 3.238 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cc[nH]n2)c1O ZINC000779025701 623723035 /nfs/dbraw/zinc/72/30/35/623723035.db2.gz YUCRZGMXNJFURJ-VIFPVBQESA-N 1 0 310.195 3.037 20 10 DGCDRO Cc1cccc(O)c1CNc1ccc(OCC[NH+](C)C)cc1 ZINC000876836339 623724016 /nfs/dbraw/zinc/72/40/16/623724016.db2.gz UTMYIPFFICIWMM-UHFFFAOYSA-N 1 0 300.402 3.253 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000876902759 623739988 /nfs/dbraw/zinc/73/99/88/623739988.db2.gz GNVCGYHJYZQUMI-UHFFFAOYSA-N 1 0 324.424 3.095 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(O)c1 ZINC000779187879 623740288 /nfs/dbraw/zinc/74/02/88/623740288.db2.gz AOULLGVRSVNNAI-KRWDZBQOSA-N 1 0 305.418 3.182 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)cc1 ZINC000876945427 623751016 /nfs/dbraw/zinc/75/10/16/623751016.db2.gz YLGQLVRUKWIVAO-RDJZCZTQSA-N 1 0 317.477 3.070 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000876969901 623757514 /nfs/dbraw/zinc/75/75/14/623757514.db2.gz CXOAMNOJJGRIQJ-HNNXBMFYSA-N 1 0 314.404 3.456 20 10 DGCDRO COc1ccccc1OCCC[NH2+]Cc1c(C)cccc1O ZINC000877010029 623765022 /nfs/dbraw/zinc/76/50/22/623765022.db2.gz IPLCEGNNPCHMSN-UHFFFAOYSA-N 1 0 301.386 3.268 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000877018618 623767166 /nfs/dbraw/zinc/76/71/66/623767166.db2.gz ZFMZPAPHAZHKGC-UHFFFAOYSA-N 1 0 320.433 3.190 20 10 DGCDRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2O)ccc1OC ZINC000877035001 623771378 /nfs/dbraw/zinc/77/13/78/623771378.db2.gz BTTOUYFPXGOMGC-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO COC(=O)Nc1ccc(CC[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877061658 623779513 /nfs/dbraw/zinc/77/95/13/623779513.db2.gz OYLMCEBOSSVJBR-UHFFFAOYSA-N 1 0 314.385 3.211 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)c(O)c1 ZINC000779599395 623780292 /nfs/dbraw/zinc/78/02/92/623780292.db2.gz SHEGSABVVDJPRV-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000779604132 623781173 /nfs/dbraw/zinc/78/11/73/623781173.db2.gz HJXORRQJLCKTMM-OAHLLOKOSA-N 1 0 305.418 3.112 20 10 DGCDRO CCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877079365 623786051 /nfs/dbraw/zinc/78/60/51/623786051.db2.gz COBFMBZMOUDWIO-UHFFFAOYSA-N 1 0 302.462 3.318 20 10 DGCDRO CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000877114973 623793986 /nfs/dbraw/zinc/79/39/86/623793986.db2.gz FYAICTNTQXOPQL-CYBMUJFWSA-N 1 0 312.404 3.128 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CC=CCC1 ZINC000877307503 623846375 /nfs/dbraw/zinc/84/63/75/623846375.db2.gz IAAZWIWLNAUDBQ-KRWDZBQOSA-N 1 0 314.473 3.436 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000877521407 623921912 /nfs/dbraw/zinc/92/19/12/623921912.db2.gz XZRRGPGWTSYCKH-UHFFFAOYSA-N 1 0 323.190 3.310 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2c[nH]nc2-c2ccsc2)c1 ZINC000780527629 623944492 /nfs/dbraw/zinc/94/44/92/623944492.db2.gz QPNQISCHWILLRB-UHFFFAOYSA-N 1 0 315.398 3.142 20 10 DGCDRO CC(C)([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000877567415 623945317 /nfs/dbraw/zinc/94/53/17/623945317.db2.gz XNCWWTPGNZJVFW-UHFFFAOYSA-N 1 0 302.462 3.316 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000877630017 623969959 /nfs/dbraw/zinc/96/99/59/623969959.db2.gz DLCSALJUINHSQD-ABSDTBQOSA-N 1 0 314.473 3.174 20 10 DGCDRO CSC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000877663483 623982633 /nfs/dbraw/zinc/98/26/33/623982633.db2.gz RXEXPKNYPALIQE-UHFFFAOYSA-N 1 0 316.264 3.482 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780788956 623985603 /nfs/dbraw/zinc/98/56/03/623985603.db2.gz FJOBXHSJHFCDIP-AWEZNQCLSA-N 1 0 301.361 3.432 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000877672486 623986992 /nfs/dbraw/zinc/98/69/92/623986992.db2.gz FYXOIHWSJXVBEO-AEFFLSMTSA-N 1 0 313.397 3.099 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1 ZINC000877713091 624002374 /nfs/dbraw/zinc/00/23/74/624002374.db2.gz DRGQVYZWRBRLBD-QGZVFWFLSA-N 1 0 309.413 3.080 20 10 DGCDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000877741266 624013575 /nfs/dbraw/zinc/01/35/75/624013575.db2.gz AEMUXDSNVKWFNY-AZUAARDMSA-N 1 0 313.489 3.203 20 10 DGCDRO COc1ccc([C@@H]2C[N@H+](Cc3c(C)cccc3O)CCO2)cc1 ZINC000877756369 624022818 /nfs/dbraw/zinc/02/28/18/624022818.db2.gz UMTOEGMOEVTCDJ-IBGZPJMESA-N 1 0 313.397 3.283 20 10 DGCDRO C[C@H]([NH2+]Cc1ccccc1OCCCCO)c1ccccc1O ZINC000877758280 624024058 /nfs/dbraw/zinc/02/40/58/624024058.db2.gz QTVJOROLDRKODN-HNNXBMFYSA-N 1 0 315.413 3.394 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877762329 624026067 /nfs/dbraw/zinc/02/60/67/624026067.db2.gz GPKOZRISHCHJGW-INIZCTEOSA-N 1 0 309.413 3.080 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000877823611 624056799 /nfs/dbraw/zinc/05/67/99/624056799.db2.gz XLPYIQITJYACPJ-BXUZGUMPSA-N 1 0 317.351 3.496 20 10 DGCDRO COc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1C ZINC000781472822 624076768 /nfs/dbraw/zinc/07/67/68/624076768.db2.gz QWRAXKQHZTYERX-UHFFFAOYSA-N 1 0 317.458 3.219 20 10 DGCDRO CN(CC[NH+]1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000781913678 624170307 /nfs/dbraw/zinc/17/03/07/624170307.db2.gz VPXVJRXMJASREV-UHFFFAOYSA-N 1 0 301.478 3.205 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cn(C)nc2-c2ccccc2)c1 ZINC000782383571 624246011 /nfs/dbraw/zinc/24/60/11/624246011.db2.gz QBJOFUWVUMBDQE-UHFFFAOYSA-N 1 0 307.397 3.391 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000878354270 624254286 /nfs/dbraw/zinc/25/42/86/624254286.db2.gz HSCJXBNLWQEAPG-GJZGRUSLSA-N 1 0 305.418 3.019 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000782541787 624261853 /nfs/dbraw/zinc/26/18/53/624261853.db2.gz AXPJUYCFKWPCDV-CQSZACIVSA-N 1 0 303.333 3.153 20 10 DGCDRO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000782546296 624262519 /nfs/dbraw/zinc/26/25/19/624262519.db2.gz ZAKSTHMAKCNXJX-GFCCVEGCSA-N 1 0 303.381 3.146 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)c2c1c(F)ccc2O ZINC000783325860 624338220 /nfs/dbraw/zinc/33/82/20/624338220.db2.gz QDPRQKHYKWTPDS-DUVNUKRYSA-N 1 0 315.388 3.273 20 10 DGCDRO COc1cccc(CC[NH2+][C@H](C)c2ccccc2O)c1OC ZINC000783504900 624359997 /nfs/dbraw/zinc/35/99/97/624359997.db2.gz ORYBPKQVTUZBNT-CYBMUJFWSA-N 1 0 301.386 3.303 20 10 DGCDRO Cc1ccnc(OC2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000783593938 624372587 /nfs/dbraw/zinc/37/25/87/624372587.db2.gz OJBYYYKOEWNDDN-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)CC1 ZINC000783623168 624376027 /nfs/dbraw/zinc/37/60/27/624376027.db2.gz HWGSFFFELYCXIQ-SFHVURJKSA-N 1 0 302.462 3.439 20 10 DGCDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000783717829 624386684 /nfs/dbraw/zinc/38/66/84/624386684.db2.gz MEZBNVQWJABNDF-GOSISDBHSA-N 1 0 302.462 3.391 20 10 DGCDRO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2ccccc2O)CC1 ZINC000783717630 624386975 /nfs/dbraw/zinc/38/69/75/624386975.db2.gz COXIZYWGNRFMJZ-UHFFFAOYSA-N 1 0 320.433 3.271 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC([C@@H]3CCOC3)CC1)CCC2 ZINC000784007552 624419612 /nfs/dbraw/zinc/41/96/12/624419612.db2.gz OALXHXMPYIXKMA-QGZVFWFLSA-N 1 0 301.430 3.129 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1O ZINC000879648290 624620959 /nfs/dbraw/zinc/62/09/59/624620959.db2.gz IQRJSHRORDPNBH-UKRRQHHQSA-N 1 0 312.369 3.068 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccccc1O ZINC000879651964 624624035 /nfs/dbraw/zinc/62/40/35/624624035.db2.gz RCRHSFVUAYXCAR-STQMWFEESA-N 1 0 321.804 3.136 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NCC1CCCCC1 ZINC000879651631 624624155 /nfs/dbraw/zinc/62/41/55/624624155.db2.gz DXALRWGLFGHWFD-UONOGXRCSA-N 1 0 304.434 3.128 20 10 DGCDRO C[C@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccccc1O ZINC000879651518 624624302 /nfs/dbraw/zinc/62/43/02/624624302.db2.gz ZFMZVZWUTHZLBV-AWEZNQCLSA-N 1 0 304.434 3.129 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1O ZINC000879650590 624624505 /nfs/dbraw/zinc/62/45/05/624624505.db2.gz IQRJSHRORDPNBH-DZGCQCFKSA-N 1 0 312.369 3.068 20 10 DGCDRO CCc1nc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)sc1C ZINC000879651156 624624765 /nfs/dbraw/zinc/62/47/65/624624765.db2.gz KJLPOEQRMUNFJV-JTQLQIEISA-N 1 0 319.430 3.009 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000879653370 624626852 /nfs/dbraw/zinc/62/68/52/624626852.db2.gz PITCEMCBUKOSQC-ORIJERBGSA-N 1 0 304.434 3.126 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC1(C)C ZINC000785427478 624665090 /nfs/dbraw/zinc/66/50/90/624665090.db2.gz XQYSBWSEIUQWPD-UKRRQHHQSA-N 1 0 306.425 3.187 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)c1ccc2c[nH+]cn2c1 ZINC000786329908 624850970 /nfs/dbraw/zinc/85/09/70/624850970.db2.gz IUTITMVIWQUJEC-UHFFFAOYSA-N 1 0 309.369 3.092 20 10 DGCDRO Cc1nc(F)ccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000787272267 624994867 /nfs/dbraw/zinc/99/48/67/624994867.db2.gz PDKACQVQQPMNJS-UHFFFAOYSA-N 1 0 317.408 3.106 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)cc1F ZINC000787420456 625008538 /nfs/dbraw/zinc/00/85/38/625008538.db2.gz HGQURIYVOLZGKA-ZFWWWQNUSA-N 1 0 322.424 3.055 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000787730773 625041563 /nfs/dbraw/zinc/04/15/63/625041563.db2.gz NEKJSIPNMPCAAS-AWEZNQCLSA-N 1 0 310.388 3.253 20 10 DGCDRO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788504807 625200193 /nfs/dbraw/zinc/20/01/93/625200193.db2.gz DSXRPTNLQDUDMU-CQSZACIVSA-N 1 0 301.434 3.253 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)c1O ZINC000788538477 625210511 /nfs/dbraw/zinc/21/05/11/625210511.db2.gz MYRRTXIDIXTQMI-MJGOQNOKSA-N 1 0 315.413 3.249 20 10 DGCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)ccn1 ZINC000788581922 625220002 /nfs/dbraw/zinc/22/00/02/625220002.db2.gz CHUXHXJDOOLSAA-GFCCVEGCSA-N 1 0 303.381 3.146 20 10 DGCDRO CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790963050 625724807 /nfs/dbraw/zinc/72/48/07/625724807.db2.gz XNGNJOVINQNZEL-LLVKDONJSA-N 1 0 300.805 3.005 20 10 DGCDRO C[NH+]1CCC(C)(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790988799 625730568 /nfs/dbraw/zinc/73/05/68/625730568.db2.gz AXBZYHXXLDYDHT-UHFFFAOYSA-N 1 0 300.805 3.006 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000791000672 625734387 /nfs/dbraw/zinc/73/43/87/625734387.db2.gz VRTLMXNZKOAKBI-OAHLLOKOSA-N 1 0 318.383 3.326 20 10 DGCDRO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000129734667 625755954 /nfs/dbraw/zinc/75/59/54/625755954.db2.gz SUCSYARLRAZPIR-NSHDSACASA-N 1 0 303.333 3.453 20 10 DGCDRO C[N@H+](CCCn1ccnc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000130590299 625876412 /nfs/dbraw/zinc/87/64/12/625876412.db2.gz MEEHRINZFWXTRW-UHFFFAOYSA-N 1 0 317.433 3.114 20 10 DGCDRO CCSc1cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])ccn1 ZINC000883092898 625924386 /nfs/dbraw/zinc/92/43/86/625924386.db2.gz CMVGTSXMVCRRKY-UHFFFAOYSA-N 1 0 310.369 3.467 20 10 DGCDRO COCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CC[C@H](C)C1 ZINC000792465205 625947204 /nfs/dbraw/zinc/94/72/04/625947204.db2.gz LXSICOGRLVIKLE-LRDDRELGSA-N 1 0 323.408 3.371 20 10 DGCDRO C[C@H](CCO)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796314900 626037617 /nfs/dbraw/zinc/03/76/17/626037617.db2.gz ICJKGXMENZPRCA-QGZVFWFLSA-N 1 0 324.468 3.357 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)c1O ZINC000796492908 626056202 /nfs/dbraw/zinc/05/62/02/626056202.db2.gz YYXRHVVNSNVMRA-KSSFIOAISA-N 1 0 315.413 3.311 20 10 DGCDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000796498810 626056707 /nfs/dbraw/zinc/05/67/07/626056707.db2.gz YDGGZXFYOMRKQJ-SJLPKXTDSA-N 1 0 302.462 3.439 20 10 DGCDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000796696541 626073862 /nfs/dbraw/zinc/07/38/62/626073862.db2.gz TYMIGOURVOSYIN-NVXWUHKLSA-N 1 0 306.425 3.187 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cc(F)ccc1O ZINC000797130983 626116894 /nfs/dbraw/zinc/11/68/94/626116894.db2.gz CWRFVIHNFDSKAG-IPQOISQHSA-N 1 0 321.417 3.261 20 10 DGCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000797604871 626159149 /nfs/dbraw/zinc/15/91/49/626159149.db2.gz JUEBBUKZYOUCDJ-HXUWFJFHSA-N 1 0 324.424 3.017 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)CCCOCc2ccccc2)c1 ZINC000798964514 626263676 /nfs/dbraw/zinc/26/36/76/626263676.db2.gz NKSVECZRZJEUEM-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799154872 626276264 /nfs/dbraw/zinc/27/62/64/626276264.db2.gz JUMMJGNFJWQVAP-HNNXBMFYSA-N 1 0 305.381 3.325 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1cc(Cl)ccc1O ZINC000800495085 626364848 /nfs/dbraw/zinc/36/48/48/626364848.db2.gz KNYNZWQARZDWTC-OAHLLOKOSA-N 1 0 323.824 3.129 20 10 DGCDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cccc(OC)c1O ZINC000800898293 626383955 /nfs/dbraw/zinc/38/39/55/626383955.db2.gz CYRCPJRTQXJWKT-HNNXBMFYSA-N 1 0 317.360 3.326 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCCN(C(C)C)C1=O ZINC000801599501 626411853 /nfs/dbraw/zinc/41/18/53/626411853.db2.gz QNGLFWQLDNOWJP-KRWDZBQOSA-N 1 0 318.461 3.394 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]CCCOC(F)F)c1O ZINC000802657207 626565484 /nfs/dbraw/zinc/56/54/84/626565484.db2.gz WGYKADATSLNMDJ-UHFFFAOYSA-N 1 0 324.165 3.182 20 10 DGCDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cc(F)ccc1O ZINC000802658262 626565929 /nfs/dbraw/zinc/56/59/29/626565929.db2.gz QFVOPNKZKNYOON-OAHLLOKOSA-N 1 0 305.324 3.456 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)c(O)c1 ZINC000883276206 626633187 /nfs/dbraw/zinc/63/31/87/626633187.db2.gz HRWOJMHLKUASKO-ZBFHGGJFSA-N 1 0 303.402 3.104 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(C)cc1O ZINC000883275969 626633200 /nfs/dbraw/zinc/63/32/00/626633200.db2.gz DFTRZMVMVAGEEB-NVXWUHKLSA-N 1 0 303.402 3.186 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccc(C)nc2Cl)c1O ZINC000883291548 626637933 /nfs/dbraw/zinc/63/79/33/626637933.db2.gz JJONTPMDIWCIQG-UHFFFAOYSA-N 1 0 306.793 3.438 20 10 DGCDRO O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1C1CCCCC1 ZINC000131594608 626656755 /nfs/dbraw/zinc/65/67/55/626656755.db2.gz JNLRPIVKJNOLDU-HNNXBMFYSA-N 1 0 322.836 3.069 20 10 DGCDRO c1cn(C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2)cn1 ZINC000883398258 626672979 /nfs/dbraw/zinc/67/29/79/626672979.db2.gz HZNWTFICDXOJCU-LJQANCHMSA-N 1 0 319.408 3.349 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1O ZINC000806180532 626704830 /nfs/dbraw/zinc/70/48/30/626704830.db2.gz OXVOEXWHIPLADR-JSGCOSHPSA-N 1 0 305.805 3.472 20 10 DGCDRO C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000807274344 626752799 /nfs/dbraw/zinc/75/27/99/626752799.db2.gz OIUZLYVYKQEVPK-YJBOKZPZSA-N 1 0 317.477 3.194 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@]3(CCCO3)[C@@H]1C1CC1)CCCC2 ZINC000840100475 626760034 /nfs/dbraw/zinc/76/00/34/626760034.db2.gz YSUJLUOIPGPDFD-VQTJNVASSA-N 1 0 313.441 3.414 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1C(C)C ZINC000840106377 626763753 /nfs/dbraw/zinc/76/37/53/626763753.db2.gz UCCBGAHUXLQLCJ-HNNXBMFYSA-N 1 0 320.433 3.097 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000840113632 626767325 /nfs/dbraw/zinc/76/73/25/626767325.db2.gz FRTHIOFOSXFAQI-ZACQAIPSSA-N 1 0 319.445 3.225 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)CC1(C)C ZINC000840123060 626776000 /nfs/dbraw/zinc/77/60/00/626776000.db2.gz GKSZTGLFMPOUCF-QGZVFWFLSA-N 1 0 300.402 3.187 20 10 DGCDRO COCCOCC[N@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000808237939 626807594 /nfs/dbraw/zinc/80/75/94/626807594.db2.gz LPNBVROQMMPXQL-UHFFFAOYSA-N 1 0 309.450 3.093 20 10 DGCDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000133851118 626843078 /nfs/dbraw/zinc/84/30/78/626843078.db2.gz UIQYAXILUVXNSJ-MRXNPFEDSA-N 1 0 317.477 3.242 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)c1O ZINC000808702515 626851188 /nfs/dbraw/zinc/85/11/88/626851188.db2.gz YAOCAYZNDPDZHY-OBJOEFQTSA-N 1 0 313.825 3.199 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O ZINC000808706551 626851987 /nfs/dbraw/zinc/85/19/87/626851987.db2.gz MRSOKLBOHNJPGW-DLXBUUHESA-N 1 0 322.836 3.014 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000808715532 626853004 /nfs/dbraw/zinc/85/30/04/626853004.db2.gz VLILYIHOQWRABP-WCQYABFASA-N 1 0 305.809 3.216 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21)c1ccccc1O ZINC000808724513 626854360 /nfs/dbraw/zinc/85/43/60/626854360.db2.gz WKRRTXGSWFMMPM-LEUOFYLZSA-N 1 0 316.445 3.080 20 10 DGCDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc2c(cc1O)CCC2 ZINC000840157514 626879912 /nfs/dbraw/zinc/87/99/12/626879912.db2.gz XGTYTUJTJRMVPF-UHFFFAOYSA-N 1 0 313.445 3.273 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000840182808 626929549 /nfs/dbraw/zinc/92/95/49/626929549.db2.gz AHQXIOOWTSAOBA-IBGZPJMESA-N 1 0 313.397 3.321 20 10 DGCDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809651836 626932640 /nfs/dbraw/zinc/93/26/40/626932640.db2.gz BFWLDROJCNYQGU-OXJNMPFZSA-N 1 0 322.452 3.204 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CSC[C@@H]2C)c1O ZINC000809702276 626938448 /nfs/dbraw/zinc/93/84/48/626938448.db2.gz FBYIFFQQPQROMP-CABZTGNLSA-N 1 0 316.264 3.304 20 10 DGCDRO CCC[N@H+](CCN1CCCCC1)Cc1cccc(OCC)c1O ZINC000809704942 626939219 /nfs/dbraw/zinc/93/92/19/626939219.db2.gz JGKZDLMKHUVNAE-UHFFFAOYSA-N 1 0 320.477 3.489 20 10 DGCDRO COC[C@H](CC(C)C)[NH2+]Cc1cc(Br)ccc1O ZINC000809713400 626940031 /nfs/dbraw/zinc/94/00/31/626940031.db2.gz OVUFZEZXRLUQND-ZDUSSCGKSA-N 1 0 316.239 3.305 20 10 DGCDRO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1cc(F)ccc1O ZINC000809715020 626940562 /nfs/dbraw/zinc/94/05/62/626940562.db2.gz WKVPBHWHMJKDOG-UHFFFAOYSA-N 1 0 322.424 3.144 20 10 DGCDRO Cc1cccc(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)c1O ZINC000809714664 626940591 /nfs/dbraw/zinc/94/05/91/626940591.db2.gz NTBNANNTXUTLNH-UHFFFAOYSA-N 1 0 318.461 3.314 20 10 DGCDRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000809720431 626941177 /nfs/dbraw/zinc/94/11/77/626941177.db2.gz GGWLIAPEULRGQV-OAHLLOKOSA-N 1 0 324.396 3.020 20 10 DGCDRO COC(=O)CCCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000809726989 626942682 /nfs/dbraw/zinc/94/26/82/626942682.db2.gz BBFJUFFLKIWLSV-UHFFFAOYSA-N 1 0 318.461 3.500 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c1O ZINC000809793711 626955133 /nfs/dbraw/zinc/95/51/33/626955133.db2.gz LOYOBRHNJZGURU-OAQYLSRUSA-N 1 0 323.845 3.381 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3oc(C)nc3C)CC2)cc1 ZINC000809935771 626960689 /nfs/dbraw/zinc/96/06/89/626960689.db2.gz YNGAYWASVZFDEZ-UHFFFAOYSA-N 1 0 315.417 3.012 20 10 DGCDRO OC[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)C[C@@H]1c1ccccc1 ZINC000810164192 626983156 /nfs/dbraw/zinc/98/31/56/626983156.db2.gz AWWZKGPSBCIZAI-AEFFLSMTSA-N 1 0 317.816 3.301 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OC ZINC000810176168 626984365 /nfs/dbraw/zinc/98/43/65/626984365.db2.gz JKHYIGFSCSEZPL-HNNXBMFYSA-N 1 0 321.421 3.100 20 10 DGCDRO CC[C@@H]([NH2+]CCOCCOC)c1ccc(C(F)(F)F)cc1O ZINC000810213186 626988765 /nfs/dbraw/zinc/98/87/65/626988765.db2.gz OBDIKMOQSHJODN-CYBMUJFWSA-N 1 0 321.339 3.115 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cc2c(cc1O)CCCC2 ZINC000810259545 626993854 /nfs/dbraw/zinc/99/38/54/626993854.db2.gz LQMZWJJQCOVZFU-ACJLOTCBSA-N 1 0 303.446 3.473 20 10 DGCDRO CC(C)([NH2+]Cc1cc(Cl)ccc1O)C(=O)NCC1CCCC1 ZINC000136035058 627039410 /nfs/dbraw/zinc/03/94/10/627039410.db2.gz BTLOPULBHOZBMX-UHFFFAOYSA-N 1 0 324.852 3.220 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N(C)C)cc2)c1OC ZINC000885903880 627058199 /nfs/dbraw/zinc/05/81/99/627058199.db2.gz ZZAXYMFQJUUMOJ-UHFFFAOYSA-N 1 0 314.429 3.368 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)cc(OC)c2OC)c1 ZINC000885985976 627076672 /nfs/dbraw/zinc/07/66/72/627076672.db2.gz VVASVPCYLBLWHA-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC3(CCC3)CO2)c1 ZINC000886109697 627107086 /nfs/dbraw/zinc/10/70/86/627107086.db2.gz QDUYWWASFVDTOZ-DZGCQCFKSA-N 1 0 305.418 3.401 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](COC)[C@@H]2CCCOC2)cc1C ZINC000886355634 627142097 /nfs/dbraw/zinc/14/20/97/627142097.db2.gz LFNWIZYZGVCXGB-QZTJIDSGSA-N 1 0 321.461 3.315 20 10 DGCDRO C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1c([O-])cccc1F ZINC000886548267 627161046 /nfs/dbraw/zinc/16/10/46/627161046.db2.gz ZTWKNQGPTHKFPL-QLFBSQMISA-N 1 0 324.440 3.071 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccc2ccccc2c1O ZINC000886669862 627185114 /nfs/dbraw/zinc/18/51/14/627185114.db2.gz FVKXRYBHWVHPAB-BPUTZDHNSA-N 1 0 315.413 3.126 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2F)c(O)c1C ZINC000886675072 627187109 /nfs/dbraw/zinc/18/71/09/627187109.db2.gz WMBUCOMXHXDQRQ-ZBFHGGJFSA-N 1 0 317.404 3.402 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1ccccc1O ZINC000886771134 627202844 /nfs/dbraw/zinc/20/28/44/627202844.db2.gz CRBNQHLPGZWRBU-FQRJBHLQSA-N 1 0 305.418 3.015 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1ccccc1O ZINC000886772222 627203241 /nfs/dbraw/zinc/20/32/41/627203241.db2.gz VMCZSGACFBXPFK-AMILPRIGSA-N 1 0 319.445 3.406 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](COC)[C@H]2CCCOC2)cc1 ZINC000886786330 627203979 /nfs/dbraw/zinc/20/39/79/627203979.db2.gz AQIOLQJFEQXLBE-IEZWGBDMSA-N 1 0 320.477 3.235 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)[C@H]1CCCOC1 ZINC000886788742 627204547 /nfs/dbraw/zinc/20/45/47/627204547.db2.gz HZJJHGJHRATDOQ-VIRABCJISA-N 1 0 323.408 3.111 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)[C@@H]1CCCOC1 ZINC000886789588 627204915 /nfs/dbraw/zinc/20/49/15/627204915.db2.gz YHTHCKAVSLMYBZ-JMSVASOKSA-N 1 0 313.825 3.138 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@H]1CCCOC1 ZINC000886789587 627205058 /nfs/dbraw/zinc/20/50/58/627205058.db2.gz YHTHCKAVSLMYBZ-HUBLWGQQSA-N 1 0 313.825 3.138 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1O ZINC000811513590 627286181 /nfs/dbraw/zinc/28/61/81/627286181.db2.gz XLCMVFWGANEPAV-SFHVURJKSA-N 1 0 308.425 3.338 20 10 DGCDRO CCCN(CC)C[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000811520238 627287422 /nfs/dbraw/zinc/28/74/22/627287422.db2.gz LSVDZPDHLFZGBJ-LBPRGKRZSA-N 1 0 314.857 3.264 20 10 DGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1[C@@H]1CCCO1 ZINC000811778267 627320600 /nfs/dbraw/zinc/32/06/00/627320600.db2.gz LDVMLJAVNVRNMM-ROUUACIJSA-N 1 0 301.430 3.270 20 10 DGCDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)cc1C ZINC000811792391 627322799 /nfs/dbraw/zinc/32/27/99/627322799.db2.gz OHTLQGPXFNAZAP-WMZOPIPTSA-N 1 0 317.429 3.243 20 10 DGCDRO Cc1cc(NCCc2ccc(O)c(O)c2)c2cc(F)ccc2[nH+]1 ZINC000811811416 627324679 /nfs/dbraw/zinc/32/46/79/627324679.db2.gz SSOSBSACOQJQNE-UHFFFAOYSA-N 1 0 312.344 3.170 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1F ZINC000812780379 627419591 /nfs/dbraw/zinc/41/95/91/627419591.db2.gz CDBDXFZPBTXBFA-INIZCTEOSA-N 1 0 316.424 3.315 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccccc1O ZINC000813881032 627518389 /nfs/dbraw/zinc/51/83/89/627518389.db2.gz KSQLMBURHLVHIG-KRWDZBQOSA-N 1 0 322.408 3.485 20 10 DGCDRO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000813882882 627518745 /nfs/dbraw/zinc/51/87/45/627518745.db2.gz NRLVHCOCWADBSG-JTQLQIEISA-N 1 0 316.239 3.478 20 10 DGCDRO CC[C@@H]1CC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000814179079 627546236 /nfs/dbraw/zinc/54/62/36/627546236.db2.gz PALNDPQCZZPKOK-LLVKDONJSA-N 1 0 300.196 3.148 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c(O)c1 ZINC000814178419 627547480 /nfs/dbraw/zinc/54/74/80/627547480.db2.gz PFEQURBYZAFBTR-INIZCTEOSA-N 1 0 305.418 3.039 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2-c2ccnn2C)c1 ZINC000814291602 627556879 /nfs/dbraw/zinc/55/68/79/627556879.db2.gz RFJJVCSAKCKDES-UHFFFAOYSA-N 1 0 323.396 3.091 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C[C@H](c1ccccc1)C1CC1)OCO2 ZINC000814299188 627557335 /nfs/dbraw/zinc/55/73/35/627557335.db2.gz QQNVPQQKSVMAGD-MRXNPFEDSA-N 1 0 311.381 3.404 20 10 DGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815070935 627622242 /nfs/dbraw/zinc/62/22/42/627622242.db2.gz APJVSZIONUVRRC-QFBILLFUSA-N 1 0 303.494 3.223 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815075465 627622751 /nfs/dbraw/zinc/62/27/51/627622751.db2.gz BNJUAYWCSXMSIQ-QFBILLFUSA-N 1 0 318.461 3.273 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)ccc1N(C)C ZINC000815075941 627623166 /nfs/dbraw/zinc/62/31/66/627623166.db2.gz OSOKOACADGSSGF-SFHVURJKSA-N 1 0 302.462 3.310 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000815082536 627624003 /nfs/dbraw/zinc/62/40/03/627624003.db2.gz WSTGIJDLLDTJQJ-UIBIWLFHSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000815093051 627626314 /nfs/dbraw/zinc/62/63/14/627626314.db2.gz AFRJUALTGBCQBN-IFXJQAMLSA-N 1 0 316.420 3.146 20 10 DGCDRO Cc1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)ccc1N(C)C ZINC000815100027 627627114 /nfs/dbraw/zinc/62/71/14/627627114.db2.gz PFMDNDTUGBIVMZ-IBGZPJMESA-N 1 0 302.462 3.452 20 10 DGCDRO CCN(C)c1ccc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000815117417 627629009 /nfs/dbraw/zinc/62/90/09/627629009.db2.gz MDEIFLGRGXIFKK-VQIMIIECSA-N 1 0 301.478 3.201 20 10 DGCDRO CCc1nocc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000815116002 627629111 /nfs/dbraw/zinc/62/91/11/627629111.db2.gz VGXXWXJVNYAIGD-UHFFFAOYSA-N 1 0 317.458 3.080 20 10 DGCDRO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000815122877 627631833 /nfs/dbraw/zinc/63/18/33/627631833.db2.gz QJTQQQWGJWMRSR-ZBFHGGJFSA-N 1 0 305.418 3.384 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)ccc1OC ZINC000815146182 627637352 /nfs/dbraw/zinc/63/73/52/627637352.db2.gz CDVVTCODQQZEQU-IBGZPJMESA-N 1 0 321.461 3.263 20 10 DGCDRO Cc1nccnc1CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000815152917 627638795 /nfs/dbraw/zinc/63/87/95/627638795.db2.gz AHBLEIVJCNDGKI-UHFFFAOYSA-N 1 0 319.408 3.490 20 10 DGCDRO C[C@H]1CC2(CC([NH2+]Cc3ccc(N4CCCC4)cc3)C2)CO1 ZINC000924647396 627661946 /nfs/dbraw/zinc/66/19/46/627661946.db2.gz GDQOSDHBLZXXJD-DMKPSLHHSA-N 1 0 300.446 3.334 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c(O)c1 ZINC000815553892 627684117 /nfs/dbraw/zinc/68/41/17/627684117.db2.gz MQJJTCRALZYAJX-CABCVRRESA-N 1 0 313.397 3.500 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C(C)(C)OC)CC2)cc1 ZINC000815573397 627686304 /nfs/dbraw/zinc/68/63/04/627686304.db2.gz ITWQMBBERUTYBS-CQSZACIVSA-N 1 0 306.450 3.067 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCOC[C@H]2CCOC2)c(O)c1 ZINC000815582256 627687607 /nfs/dbraw/zinc/68/76/07/627687607.db2.gz BDLRYPPQFJWQND-JKSUJKDBSA-N 1 0 307.434 3.103 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c(O)c1 ZINC000815583037 627687826 /nfs/dbraw/zinc/68/78/26/627687826.db2.gz VJHZDXFSLSOFIX-OAHLLOKOSA-N 1 0 311.425 3.190 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)ccc21 ZINC000924870939 627689098 /nfs/dbraw/zinc/68/90/98/627689098.db2.gz MNWLDVXWGQLWMV-AZUAARDMSA-N 1 0 314.473 3.364 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598353 627689869 /nfs/dbraw/zinc/68/98/69/627689869.db2.gz SLMVEHWONKHMHN-GXSJLCMTSA-N 1 0 303.324 3.223 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000815633260 627692889 /nfs/dbraw/zinc/69/28/89/627692889.db2.gz KAZCLFSISZWXEV-CRAIPNDOSA-N 1 0 319.493 3.346 20 10 DGCDRO CC[C@H]([NH2+]CCc1nccnc1C)c1cc(Cl)ccc1O ZINC000815651135 627695122 /nfs/dbraw/zinc/69/51/22/627695122.db2.gz KYFNTOITJYNGAD-AWEZNQCLSA-N 1 0 305.809 3.427 20 10 DGCDRO C[C@@H]([NH3+])[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000925529696 627748371 /nfs/dbraw/zinc/74/83/71/627748371.db2.gz LLSSURDRPBCGAR-FZKQIMNGSA-N 1 0 301.409 3.070 20 10 DGCDRO C[C@@H]([NH3+])[C@H](NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000925530553 627748813 /nfs/dbraw/zinc/74/88/13/627748813.db2.gz DTMNSVGAUJNSAK-QRWLVFNGSA-N 1 0 309.457 3.247 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)ccc2ccccc21 ZINC000816501205 627797534 /nfs/dbraw/zinc/79/75/34/627797534.db2.gz ABVWBTCSPJOIDS-INIZCTEOSA-N 1 0 313.397 3.130 20 10 DGCDRO Oc1c(C[NH+]2CCC(Cn3ccnn3)CC2)ccc2ccccc21 ZINC000816520999 627801813 /nfs/dbraw/zinc/80/18/13/627801813.db2.gz CZYRBFBYZXEFPU-UHFFFAOYSA-N 1 0 322.412 3.049 20 10 DGCDRO Oc1c(C[NH2+]C[C@H]2COC3(CCCC3)O2)ccc2ccccc21 ZINC000816560252 627808602 /nfs/dbraw/zinc/80/86/02/627808602.db2.gz JLBNYMUHGQCOSL-INIZCTEOSA-N 1 0 313.397 3.321 20 10 DGCDRO CC(C)OC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816571831 627810206 /nfs/dbraw/zinc/81/02/06/627810206.db2.gz RRLKLKMPBRGECP-KRWDZBQOSA-N 1 0 315.413 3.171 20 10 DGCDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000816660704 627821314 /nfs/dbraw/zinc/82/13/14/627821314.db2.gz MTJRXVYDVMKESV-SFHVURJKSA-N 1 0 301.478 3.203 20 10 DGCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000817366507 627890556 /nfs/dbraw/zinc/89/05/56/627890556.db2.gz UHKYTRMSUBBTLZ-AWEZNQCLSA-N 1 0 324.380 3.002 20 10 DGCDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817412704 627896476 /nfs/dbraw/zinc/89/64/76/627896476.db2.gz OIORRRGJWHCWBS-SJLPKXTDSA-N 1 0 302.462 3.127 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C3(Cl)CC3)C2)cc1 ZINC000926610914 627921447 /nfs/dbraw/zinc/92/14/47/627921447.db2.gz GZCLWLVDHITRJH-UONOGXRCSA-N 1 0 308.853 3.271 20 10 DGCDRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCOCC1 ZINC000817589066 627927652 /nfs/dbraw/zinc/92/76/52/627927652.db2.gz SZFTUFLLJYPQOB-LSDHHAIUSA-N 1 0 307.434 3.244 20 10 DGCDRO COc1ccccc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817937985 627966485 /nfs/dbraw/zinc/96/64/85/627966485.db2.gz AWYGRBUSDANTDC-KSSFIOAISA-N 1 0 313.445 3.112 20 10 DGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1 ZINC000817938566 627966804 /nfs/dbraw/zinc/96/68/04/627966804.db2.gz NGKWQHKPIXQQLN-SGTLLEGYSA-N 1 0 319.399 3.381 20 10 DGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000817938168 627966817 /nfs/dbraw/zinc/96/68/17/627966817.db2.gz GABVGLMDLRQUFL-KZULUSFZSA-N 1 0 319.399 3.381 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCc3c2cccc3F)cc1 ZINC000817938973 627967439 /nfs/dbraw/zinc/96/74/39/627967439.db2.gz WQVJFQPUHLHANZ-OALUTQOASA-N 1 0 313.420 3.169 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCNCc2cccnc2)c(O)c1C ZINC000817939913 627967473 /nfs/dbraw/zinc/96/74/73/627967473.db2.gz IBWPLTYVBIIJPS-MRXNPFEDSA-N 1 0 313.445 3.235 20 10 DGCDRO C[C@@H](Cc1cccs1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817939071 627967505 /nfs/dbraw/zinc/96/75/05/627967505.db2.gz YLZMUOQPXMPCND-SUMWQHHRSA-N 1 0 303.475 3.035 20 10 DGCDRO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817938657 627967636 /nfs/dbraw/zinc/96/76/36/627967636.db2.gz OYUOHGYPLIACFH-MEDUHNTESA-N 1 0 318.490 3.177 20 10 DGCDRO Cc1cc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cs1 ZINC000817940002 627967938 /nfs/dbraw/zinc/96/79/38/627967938.db2.gz DSRDFWRRSXIWIV-SUMWQHHRSA-N 1 0 303.475 3.473 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1O ZINC000817942302 627968502 /nfs/dbraw/zinc/96/85/02/627968502.db2.gz NZNYXLPMOJJQBB-MSOLQXFVSA-N 1 0 313.445 3.199 20 10 DGCDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940733 627968551 /nfs/dbraw/zinc/96/85/51/627968551.db2.gz HMYZVRCSHRITFZ-XMCHAPAWSA-N 1 0 309.457 3.276 20 10 DGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCCNC1 ZINC000817942104 627968718 /nfs/dbraw/zinc/96/87/18/627968718.db2.gz WTVRFSKNTMIUPH-HKUYNNGSSA-N 1 0 310.441 3.408 20 10 DGCDRO CC[C@H](Cc1cccs1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817941118 627968971 /nfs/dbraw/zinc/96/89/71/627968971.db2.gz JCZHDNYUFDHOLB-CRAIPNDOSA-N 1 0 317.502 3.425 20 10 DGCDRO CCc1cccnc1[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942494 627969691 /nfs/dbraw/zinc/96/96/91/627969691.db2.gz OYBROFNUUJBTON-RDTXWAMCSA-N 1 0 312.461 3.061 20 10 DGCDRO CCc1ccc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000817942359 627969816 /nfs/dbraw/zinc/96/98/16/627969816.db2.gz OLBGSHGSGHARGM-GUYCJALGSA-N 1 0 301.434 3.259 20 10 DGCDRO CCC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817944095 627970010 /nfs/dbraw/zinc/97/00/10/627970010.db2.gz XHEUYSWYRCETRA-MSOLQXFVSA-N 1 0 312.461 3.278 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCc3ccccc3C2)cc1 ZINC000817944226 627970065 /nfs/dbraw/zinc/97/00/65/627970065.db2.gz YCPSLDQOALGBIK-TZIWHRDSSA-N 1 0 323.484 3.290 20 10 DGCDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(N2CCCCCC2)cc1 ZINC000817951228 627972350 /nfs/dbraw/zinc/97/23/50/627972350.db2.gz CBMNVYOILCSFQR-AEFFLSMTSA-N 1 0 301.478 3.470 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817955026 627973552 /nfs/dbraw/zinc/97/35/52/627973552.db2.gz OXGNEOSMQJDVDJ-UWVGGRQHSA-N 1 0 303.233 3.349 20 10 DGCDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)c(OC)c1 ZINC000817955436 627974120 /nfs/dbraw/zinc/97/41/20/627974120.db2.gz AQQVYGXKWXUBPM-ZDUSSCGKSA-N 1 0 300.402 3.179 20 10 DGCDRO CC(C)[C@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817958107 627975102 /nfs/dbraw/zinc/97/51/02/627975102.db2.gz HPZIUCQUSHYZHD-RHSMWYFYSA-N 1 0 307.457 3.450 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817964575 627976581 /nfs/dbraw/zinc/97/65/81/627976581.db2.gz CPUDPJMRFJKJSI-OLZOCXBDSA-N 1 0 303.233 3.477 20 10 DGCDRO Cc1cc(CC[NH2+][C@H](C)c2ccc3ccccc3c2O)nn1C ZINC000926910542 627977976 /nfs/dbraw/zinc/97/79/76/627977976.db2.gz LRXZIYUBXUQBKM-CQSZACIVSA-N 1 0 309.413 3.481 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970788 627979616 /nfs/dbraw/zinc/97/96/16/627979616.db2.gz FGLPYRMPUWVQGA-PTRXPTGYSA-N 1 0 303.233 3.348 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(N2CCCCC2)cc1 ZINC000817977010 627981542 /nfs/dbraw/zinc/98/15/42/627981542.db2.gz ZJPFXPRVAXWCML-PVAVHDDUSA-N 1 0 305.441 3.028 20 10 DGCDRO CCO[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)CN(C)C ZINC000926965052 627990695 /nfs/dbraw/zinc/99/06/95/627990695.db2.gz ZWEGWFBGTHJFBH-GDBMZVCRSA-N 1 0 316.445 3.163 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000926961384 627990987 /nfs/dbraw/zinc/99/09/87/627990987.db2.gz ITAVJAUFTFYKAR-DOMZBBRYSA-N 1 0 317.399 3.286 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000927056111 628003377 /nfs/dbraw/zinc/00/33/77/628003377.db2.gz RIKZWDWGBLNLDP-WNOSKKOXSA-N 1 0 304.434 3.086 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000818222879 628006783 /nfs/dbraw/zinc/00/67/83/628006783.db2.gz XNNIDEAFRIRAEM-GJZGRUSLSA-N 1 0 306.475 3.007 20 10 DGCDRO CCOCCOCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000927090392 628011802 /nfs/dbraw/zinc/01/18/02/628011802.db2.gz PODMSBNTXHIXFH-KRWDZBQOSA-N 1 0 320.477 3.381 20 10 DGCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(N(C)C)cc3C)C[C@H]2C1 ZINC000818333620 628014693 /nfs/dbraw/zinc/01/46/93/628014693.db2.gz YFXJQBMGWDKDRC-NFEGKLMCSA-N 1 0 302.462 3.354 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccoc3)C2)cc1 ZINC000818345793 628016601 /nfs/dbraw/zinc/01/66/01/628016601.db2.gz YCSINUYHZWLZCK-HUUCEWRRSA-N 1 0 300.402 3.465 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)c1ncc(C(=O)OC)s1)c1ccccc1O ZINC000818355063 628017105 /nfs/dbraw/zinc/01/71/05/628017105.db2.gz BBRSOCHCDKVFMA-PWSUYJOCSA-N 1 0 320.414 3.437 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000818359365 628018252 /nfs/dbraw/zinc/01/82/52/628018252.db2.gz JMYFKTRYPQCXLZ-DMRZNYOFSA-N 1 0 304.409 3.111 20 10 DGCDRO OC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000927154189 628027624 /nfs/dbraw/zinc/02/76/24/628027624.db2.gz BFSDFCBDLZJYKD-HLIPFELVSA-N 1 0 309.409 3.062 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1O ZINC000821272779 628352361 /nfs/dbraw/zinc/35/23/61/628352361.db2.gz YQTBFOOFVAENJC-CQSZACIVSA-N 1 0 314.360 3.118 20 10 DGCDRO C[N@H+](Cc1cc(Cl)ccc1O)C[C@](C)(O)c1ccccc1 ZINC000822515952 628459924 /nfs/dbraw/zinc/45/99/24/628459924.db2.gz FYSUKPQQLANRIY-KRWDZBQOSA-N 1 0 305.805 3.385 20 10 DGCDRO C[N@H+](Cc1cc(Cl)ccc1O)C[C@@](C)(O)c1ccccc1 ZINC000822515953 628460023 /nfs/dbraw/zinc/46/00/23/628460023.db2.gz FYSUKPQQLANRIY-QGZVFWFLSA-N 1 0 305.805 3.385 20 10 DGCDRO CC[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000823757189 628593770 /nfs/dbraw/zinc/59/37/70/628593770.db2.gz IPGZCAOENTUNEK-AEFFLSMTSA-N 1 0 318.461 3.211 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000823813255 628598969 /nfs/dbraw/zinc/59/89/69/628598969.db2.gz YEADDTJSXLCQQP-MRXNPFEDSA-N 1 0 315.486 3.178 20 10 DGCDRO Cc1cc(Cl)cc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c1O ZINC000824445997 628661282 /nfs/dbraw/zinc/66/12/82/628661282.db2.gz QBVXGYOASRWANM-GFCCVEGCSA-N 1 0 308.853 3.270 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000824483945 628664422 /nfs/dbraw/zinc/66/44/22/628664422.db2.gz XBQVNOWYKIEBCT-GFCCVEGCSA-N 1 0 301.411 3.380 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000824554185 628670872 /nfs/dbraw/zinc/67/08/72/628670872.db2.gz BZYAWWNCOZEZPP-GFCCVEGCSA-N 1 0 322.346 3.339 20 10 DGCDRO CC(C)[N@H+](Cc1cnc2n1CCC2)Cc1ccc(N(C)C)cc1 ZINC000824566454 628671643 /nfs/dbraw/zinc/67/16/43/628671643.db2.gz KIEKFVUFLPLKHJ-UHFFFAOYSA-N 1 0 312.461 3.306 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000824603711 628675824 /nfs/dbraw/zinc/67/58/24/628675824.db2.gz YYXOXURKRNBPQU-UHFFFAOYSA-N 1 0 320.396 3.345 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636473 628679239 /nfs/dbraw/zinc/67/92/39/628679239.db2.gz QRRXUISUBNFAKA-MJGOQNOKSA-N 1 0 315.388 3.001 20 10 DGCDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824636291 628679500 /nfs/dbraw/zinc/67/95/00/628679500.db2.gz OODMAUSOOCOSBT-HKUYNNGSSA-N 1 0 302.462 3.270 20 10 DGCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824650474 628680320 /nfs/dbraw/zinc/68/03/20/628680320.db2.gz QJOGJQSJGWVSPV-ZDUSSCGKSA-N 1 0 324.852 3.092 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@](C)(OC)c2ccccc2)c1O ZINC000824780290 628692800 /nfs/dbraw/zinc/69/28/00/628692800.db2.gz JOKYJXXISOUWLF-IBGZPJMESA-N 1 0 315.413 3.442 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cn[nH]c2)c(O)c(C(C)(C)C)c1 ZINC000824817723 628697252 /nfs/dbraw/zinc/69/72/52/628697252.db2.gz DNNFRYPLDJRCAB-UHFFFAOYSA-N 1 0 303.406 3.053 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000824954478 628710272 /nfs/dbraw/zinc/71/02/72/628710272.db2.gz QQKMFNWHKSQJDR-CXAGYDPISA-N 1 0 318.804 3.451 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000824948868 628710328 /nfs/dbraw/zinc/71/03/28/628710328.db2.gz VGPWWARZLKDWQR-IEBWSBKVSA-N 1 0 311.429 3.158 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000824954484 628710536 /nfs/dbraw/zinc/71/05/36/628710536.db2.gz QQKMFNWHKSQJDR-GUYCJALGSA-N 1 0 318.804 3.451 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824971688 628712577 /nfs/dbraw/zinc/71/25/77/628712577.db2.gz WTHVZXXWJOHWKF-CYBMUJFWSA-N 1 0 304.217 3.464 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)c2nccn21 ZINC000825017449 628716366 /nfs/dbraw/zinc/71/63/66/628716366.db2.gz RSQARMQUBYRPTN-JOYOIKCWSA-N 1 0 322.206 3.147 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCN(C)CC(F)(F)F)cc1Cl ZINC000825113777 628729360 /nfs/dbraw/zinc/72/93/60/628729360.db2.gz KCIISSANOHYDCX-UHFFFAOYSA-N 1 0 324.774 3.328 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1O ZINC000825142475 628731971 /nfs/dbraw/zinc/73/19/71/628731971.db2.gz SHFQTPJLDGVZFE-WBMJQRKESA-N 1 0 323.400 3.374 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(Cl)c(OC)c2)c1 ZINC000825144180 628732518 /nfs/dbraw/zinc/73/25/18/628732518.db2.gz MJYSYPRAQNHFGM-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1Cl ZINC000825240879 628741015 /nfs/dbraw/zinc/74/10/15/628741015.db2.gz LRETVVYRBSAGSL-HNNXBMFYSA-N 1 0 305.805 3.047 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccsc2)cc1Cl ZINC000825291277 628747296 /nfs/dbraw/zinc/74/72/96/628747296.db2.gz HUFMBJWAPMXVJG-HNNXBMFYSA-N 1 0 311.834 3.413 20 10 DGCDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825316365 628748464 /nfs/dbraw/zinc/74/84/64/628748464.db2.gz RXPATSWIKVLBKA-JTQLQIEISA-N 1 0 316.239 3.448 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H](O)Cc2ccccc2)cc1Cl ZINC000825370122 628754151 /nfs/dbraw/zinc/75/41/51/628754151.db2.gz JLOMUDNOIBMGHH-CXAGYDPISA-N 1 0 319.832 3.436 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCc3ccccc32)cc1Cl ZINC000825370056 628754341 /nfs/dbraw/zinc/75/43/41/628754341.db2.gz IMMOKJGYMRWZGV-GOSISDBHSA-N 1 0 317.816 3.278 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3ccccn3)C2)cc1Cl ZINC000825384387 628756516 /nfs/dbraw/zinc/75/65/16/628756516.db2.gz AMMWCBBWJQPDNZ-AWEZNQCLSA-N 1 0 317.820 3.118 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1Cl ZINC000825405065 628758278 /nfs/dbraw/zinc/75/82/78/628758278.db2.gz BVOIBBLWXYPIBO-ZDUSSCGKSA-N 1 0 311.809 3.129 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c(O)c(C(C)(C)C)c1 ZINC000825451663 628763108 /nfs/dbraw/zinc/76/31/08/628763108.db2.gz XGIRRIBGBIMQRU-KBPBESRZSA-N 1 0 321.461 3.291 20 10 DGCDRO COc1cc(C[NH2+][C@H](CO)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000825502280 628769626 /nfs/dbraw/zinc/76/96/26/628769626.db2.gz VTJPMOBUXZRWFV-OAHLLOKOSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825635219 628780143 /nfs/dbraw/zinc/78/01/43/628780143.db2.gz XNOTXUMCORCUGO-SHTZXODSSA-N 1 0 321.461 3.434 20 10 DGCDRO C[C@H]1CSCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825693150 628786105 /nfs/dbraw/zinc/78/61/05/628786105.db2.gz UKRCCMNSMKFIHO-SNVBAGLBSA-N 1 0 316.264 3.340 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(CO)CC3(CCC3)C2)cc1Cl ZINC000825726936 628791116 /nfs/dbraw/zinc/79/11/16/628791116.db2.gz ZLJOCUQHJYTKAA-UHFFFAOYSA-N 1 0 309.837 3.386 20 10 DGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)o1 ZINC000825917156 628810370 /nfs/dbraw/zinc/81/03/70/628810370.db2.gz XQHUTUMAAROWHT-UHFFFAOYSA-N 1 0 323.776 3.414 20 10 DGCDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000825934879 628811793 /nfs/dbraw/zinc/81/17/93/628811793.db2.gz LXXAKSGBSHQOAN-QWHCGFSZSA-N 1 0 323.433 3.419 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000826097030 628827553 /nfs/dbraw/zinc/82/75/53/628827553.db2.gz MNGMTFPJIVCAMD-ZANVPECISA-N 1 0 323.742 3.099 20 10 DGCDRO COC(=O)c1oc(C[NH2+]Cc2cc(Cl)ccc2O)cc1C ZINC000826139628 628830650 /nfs/dbraw/zinc/83/06/50/628830650.db2.gz IZOSAAWTVJNKNN-UHFFFAOYSA-N 1 0 309.749 3.023 20 10 DGCDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000827141617 628927147 /nfs/dbraw/zinc/92/71/47/628927147.db2.gz VIWAWBALHCSXME-UHFFFAOYSA-N 1 0 318.442 3.224 20 10 DGCDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000827283655 628945025 /nfs/dbraw/zinc/94/50/25/628945025.db2.gz RCCOIDZHAKYQNJ-HKUYNNGSSA-N 1 0 300.446 3.145 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000827340463 628950692 /nfs/dbraw/zinc/95/06/92/628950692.db2.gz AWJPREMQPRFPGG-HKUYNNGSSA-N 1 0 317.477 3.057 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000827354384 628952752 /nfs/dbraw/zinc/95/27/52/628952752.db2.gz OXLIRXXPMMGJOM-GOSISDBHSA-N 1 0 302.462 3.190 20 10 DGCDRO [NH3+]Cc1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1 ZINC000827593502 628974978 /nfs/dbraw/zinc/97/49/78/628974978.db2.gz BIJSCXCVVGRPKN-UHFFFAOYSA-N 1 0 309.413 3.388 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000827596671 628975613 /nfs/dbraw/zinc/97/56/13/628975613.db2.gz ZHCQBRWTZRXCRJ-MSOLQXFVSA-N 1 0 300.446 3.145 20 10 DGCDRO CC1=CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000827661577 628980957 /nfs/dbraw/zinc/98/09/57/628980957.db2.gz BGSKNLWZRFXDEI-KRWDZBQOSA-N 1 0 300.446 3.236 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)cc1F ZINC000827698651 628983897 /nfs/dbraw/zinc/98/38/97/628983897.db2.gz AEJABOGYEVTOMX-KBXCAEBGSA-N 1 0 308.441 3.122 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(OCC)c1O ZINC000827750607 628988299 /nfs/dbraw/zinc/98/82/99/628988299.db2.gz KZPVVAOEGIROML-MAUKXSAKSA-N 1 0 321.417 3.002 20 10 DGCDRO CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1O)[NH+]1CCCCC1 ZINC000827930619 629004908 /nfs/dbraw/zinc/00/49/08/629004908.db2.gz MVHCLIRBAHRDBD-RHSMWYFYSA-N 1 0 304.434 3.080 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000828147645 629028004 /nfs/dbraw/zinc/02/80/04/629028004.db2.gz HOMHXMVFCNXWAF-SFHVURJKSA-N 1 0 324.424 3.018 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1O ZINC000828554958 629067280 /nfs/dbraw/zinc/06/72/80/629067280.db2.gz INVVUMKCAGJONS-IEBWSBKVSA-N 1 0 302.462 3.188 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@H](F)C3)cc2)CC1 ZINC000828736596 629086738 /nfs/dbraw/zinc/08/67/38/629086738.db2.gz HHYFYXWCVWNEAY-DNVCBOLYSA-N 1 0 320.452 3.482 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC000829506940 629164367 /nfs/dbraw/zinc/16/43/67/629164367.db2.gz XMRWJDQCIFNSEA-AWEZNQCLSA-N 1 0 314.360 3.118 20 10 DGCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000829764560 629189543 /nfs/dbraw/zinc/18/95/43/629189543.db2.gz OUECFVCZOAQZKK-AWEZNQCLSA-N 1 0 311.429 3.011 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H]3CN(C)C[C@H]32)ccc1N1CCCCC1 ZINC000829998732 629216020 /nfs/dbraw/zinc/21/60/20/629216020.db2.gz NFKSQTAEIMLNCX-UYAOXDASSA-N 1 0 313.489 3.121 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCC2CCCC2)cc1 ZINC000832266019 629456976 /nfs/dbraw/zinc/45/69/76/629456976.db2.gz CKYBRJIPHHHDTI-SFHVURJKSA-N 1 0 317.477 3.229 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)ccc1N1CCCCC1 ZINC000832717567 629506880 /nfs/dbraw/zinc/50/68/80/629506880.db2.gz JPZXQFKKCNKJCT-QAPCUYQASA-N 1 0 302.462 3.188 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCN1CCc3ccccc3C1)CC2 ZINC000834501729 629718342 /nfs/dbraw/zinc/71/83/42/629718342.db2.gz IBMQOAYYIYRGLT-IBGZPJMESA-N 1 0 322.452 3.418 20 10 DGCDRO C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834531452 629721102 /nfs/dbraw/zinc/72/11/02/629721102.db2.gz ZMIQSRMYNUBNFZ-GDBMZVCRSA-N 1 0 302.462 3.480 20 10 DGCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCc2ccccc2C1 ZINC000834538696 629723735 /nfs/dbraw/zinc/72/37/35/629723735.db2.gz WBKXQNZRNULWBF-BEFAXECRSA-N 1 0 322.452 3.416 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@]1(O)CCCc3ccccc31)CC2 ZINC000834576161 629732455 /nfs/dbraw/zinc/73/24/55/629732455.db2.gz TUXFIKGISOMZGX-YLJYHZDGSA-N 1 0 309.409 3.193 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCCc2cccnc2)c1 ZINC000834650100 629747100 /nfs/dbraw/zinc/74/71/00/629747100.db2.gz GAEYKEFHFIQFMA-AWEZNQCLSA-N 1 0 300.402 3.297 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C(=O)N1c1ccccc1 ZINC000834674006 629754590 /nfs/dbraw/zinc/75/45/90/629754590.db2.gz ZRYXPKHPKLVGLQ-XYPHTWIQSA-N 1 0 322.408 3.163 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cn(-c2ccccc2)nn1 ZINC000834680730 629755795 /nfs/dbraw/zinc/75/57/95/629755795.db2.gz HMVGJVAPWBYSMZ-BBRMVZONSA-N 1 0 320.396 3.311 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1COC3(CCCCCC3)O1)CC2 ZINC000834737880 629770366 /nfs/dbraw/zinc/77/03/66/629770366.db2.gz ZPYHLADURJOTOA-HZPDHXFCSA-N 1 0 317.429 3.435 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1COc3cc(F)cc(F)c31)CC2 ZINC000834765535 629775493 /nfs/dbraw/zinc/77/54/93/629775493.db2.gz NGBQWEKNWCNXGI-OLZOCXBDSA-N 1 0 303.308 3.381 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1COc3cc(F)cc(F)c31)CC2 ZINC000834765529 629775623 /nfs/dbraw/zinc/77/56/23/629775623.db2.gz NGBQWEKNWCNXGI-CHWSQXEVSA-N 1 0 303.308 3.381 20 10 DGCDRO C[S@](=O)Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000834799233 629781792 /nfs/dbraw/zinc/78/17/92/629781792.db2.gz XQNAJHBXLRGSHV-AOMKIAJQSA-N 1 0 315.438 3.048 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c1 ZINC000834828804 629786071 /nfs/dbraw/zinc/78/60/71/629786071.db2.gz ZYDMKXFTEUBGKP-XJKSGUPXSA-N 1 0 303.377 3.094 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H](O)C(F)F ZINC000834875503 629795317 /nfs/dbraw/zinc/79/53/17/629795317.db2.gz QBVGVDJPIPGKHC-KODWOLAFSA-N 1 0 303.324 3.074 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)[C@H](O)C(F)F ZINC000834875863 629795584 /nfs/dbraw/zinc/79/55/84/629795584.db2.gz UWSUOBDCVLTWSP-QWRKXWFKSA-N 1 0 307.768 3.409 20 10 DGCDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000834880490 629796213 /nfs/dbraw/zinc/79/62/13/629796213.db2.gz GFMYCZGXYFPQSW-QIIPPGSGSA-N 1 0 315.413 3.248 20 10 DGCDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000834880788 629796231 /nfs/dbraw/zinc/79/62/31/629796231.db2.gz QUPWUFYQTCFZAS-SLEUVZQESA-N 1 0 313.825 3.056 20 10 DGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000834896296 629801164 /nfs/dbraw/zinc/80/11/64/629801164.db2.gz JXXOACPWINZWKK-KGLIPLIRSA-N 1 0 313.445 3.286 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)cc1 ZINC000834897780 629801865 /nfs/dbraw/zinc/80/18/65/629801865.db2.gz VQRHHMYXZDQGCS-GJZGRUSLSA-N 1 0 300.450 3.158 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c(O)c1 ZINC000834899393 629801977 /nfs/dbraw/zinc/80/19/77/629801977.db2.gz PRFQABIWEDXVNR-DEYYWGMASA-N 1 0 315.417 3.005 20 10 DGCDRO Cc1cnc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000834910701 629806745 /nfs/dbraw/zinc/80/67/45/629806745.db2.gz YDOIJTMHFJPLIN-LBPRGKRZSA-N 1 0 305.809 3.346 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000835024985 629827599 /nfs/dbraw/zinc/82/75/99/629827599.db2.gz BGQZRAXDNGRZDY-ONEGZZNKSA-N 1 0 310.445 3.369 20 10 DGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C/C=C\c1ccc(N(C)C)cc1 ZINC000835029518 629828789 /nfs/dbraw/zinc/82/87/89/629828789.db2.gz RAIUILPJCBTQIE-XSXCZSQGSA-N 1 0 313.489 3.324 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1 ZINC000835029269 629829334 /nfs/dbraw/zinc/82/93/34/629829334.db2.gz RXHBFOBPOQSIPW-WRFKIARRSA-N 1 0 324.472 3.064 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)C2CCCCC2)cc1 ZINC000835037114 629831030 /nfs/dbraw/zinc/83/10/30/629831030.db2.gz NTXPQSKUAAJISG-RURPWVQCSA-N 1 0 302.462 3.297 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000835040911 629831856 /nfs/dbraw/zinc/83/18/56/629831856.db2.gz VYXJHSXHJURGKF-RTLBZRNLSA-N 1 0 314.404 3.228 20 10 DGCDRO Cc1ccsc1[C@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042884 629832661 /nfs/dbraw/zinc/83/26/61/629832661.db2.gz LCVCMXSKROOTOR-BDUNBXCCSA-N 1 0 316.470 3.459 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000835042827 629832856 /nfs/dbraw/zinc/83/28/56/629832856.db2.gz YGHWEXKNMSDNET-OOFWQKGWSA-N 1 0 322.456 3.029 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]2(C)CCCC[C@H]2O)cc1 ZINC000835041888 629833078 /nfs/dbraw/zinc/83/30/78/629833078.db2.gz FPNRTMYOPZRERB-MGBKSAOESA-N 1 0 302.462 3.297 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCC(=O)OC(C)(C)C)cc1 ZINC000835042092 629833080 /nfs/dbraw/zinc/83/30/80/629833080.db2.gz GPWNZEZLPITBPB-VURMDHGXSA-N 1 0 318.461 3.477 20 10 DGCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000835052521 629836962 /nfs/dbraw/zinc/83/69/62/629836962.db2.gz GIYFUMZIVTWPSM-KJOHCHSBSA-N 1 0 310.441 3.478 20 10 DGCDRO CC[C@H](C)[NH+]1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835053884 629837497 /nfs/dbraw/zinc/83/74/97/629837497.db2.gz FUMNILFRTTUJTH-LXXRFIIISA-N 1 0 301.478 3.182 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000835053382 629837604 /nfs/dbraw/zinc/83/76/04/629837604.db2.gz LVHAELPGRGVAEU-HWKANZROSA-N 1 0 323.431 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000835054897 629838428 /nfs/dbraw/zinc/83/84/28/629838428.db2.gz MYRQVTMJTXGGFD-MEDHRJKHSA-N 1 0 300.446 3.268 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000835059239 629840563 /nfs/dbraw/zinc/84/05/63/629840563.db2.gz ZPSLVMYFWYUXPF-UHFFFAOYSA-N 1 0 309.409 3.456 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c1O ZINC000835065717 629842540 /nfs/dbraw/zinc/84/25/40/629842540.db2.gz KXFZWOGTDHLOLY-GOSISDBHSA-N 1 0 321.461 3.458 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c1O ZINC000835071624 629844007 /nfs/dbraw/zinc/84/40/07/629844007.db2.gz ZYUKNMVSWXZUMS-GOSISDBHSA-N 1 0 305.418 3.254 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@@H]1C ZINC000840714893 630351496 /nfs/dbraw/zinc/35/14/96/630351496.db2.gz NHBXMZJTJHEHEO-QRTARXTBSA-N 1 0 306.425 3.187 20 10 DGCDRO Fc1cc(C[NH2+]C(C2CC2)C2CC2)cc(F)c1N1CCOCC1 ZINC000840761116 630356545 /nfs/dbraw/zinc/35/65/45/630356545.db2.gz QONYOLPPOFHWMU-UHFFFAOYSA-N 1 0 322.399 3.080 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccoc1 ZINC000840761418 630356722 /nfs/dbraw/zinc/35/67/22/630356722.db2.gz WOURSINOAPCNOT-LBPRGKRZSA-N 1 0 322.355 3.245 20 10 DGCDRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000840854859 630367243 /nfs/dbraw/zinc/36/72/43/630367243.db2.gz HCVBOPBCJQBEMF-IJEWVQPXSA-N 1 0 306.475 3.068 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000840871155 630369609 /nfs/dbraw/zinc/36/96/09/630369609.db2.gz ACRLZRIJYISGND-UHFFFAOYSA-N 1 0 305.761 3.373 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H](C)O[C@H]3C)CC2)cc1 ZINC000840872323 630370373 /nfs/dbraw/zinc/37/03/73/630370373.db2.gz KNKZXJBVEMUSHJ-JYJNAYRXSA-N 1 0 318.461 3.067 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000840893472 630373656 /nfs/dbraw/zinc/37/36/56/630373656.db2.gz IYDKLYWBNNTDJG-XYJFISCASA-N 1 0 315.505 3.207 20 10 DGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840895337 630374521 /nfs/dbraw/zinc/37/45/21/630374521.db2.gz XEUKTUVSURVOHA-GJZGRUSLSA-N 1 0 314.477 3.385 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000840911772 630376352 /nfs/dbraw/zinc/37/63/52/630376352.db2.gz QDZFYUPTZBTAKI-QGZVFWFLSA-N 1 0 310.445 3.231 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840910478 630376653 /nfs/dbraw/zinc/37/66/53/630376653.db2.gz NRBIRQFUTKCUSZ-UHFFFAOYSA-N 1 0 318.461 3.226 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c(Cl)c1 ZINC000840916459 630378037 /nfs/dbraw/zinc/37/80/37/630378037.db2.gz VENHPVHARXQIOT-CQSZACIVSA-N 1 0 311.809 3.081 20 10 DGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840919819 630379043 /nfs/dbraw/zinc/37/90/43/630379043.db2.gz OTLWDYKFCDKHCD-IBGZPJMESA-N 1 0 312.461 3.440 20 10 DGCDRO COc1nc(C)cc(C)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840932907 630380014 /nfs/dbraw/zinc/38/00/14/630380014.db2.gz VVRRQMLDGBZRII-UHFFFAOYSA-N 1 0 313.445 3.371 20 10 DGCDRO Cc1nccn1CCCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933909 630380064 /nfs/dbraw/zinc/38/00/64/630380064.db2.gz KTXWLQMTXMJMOO-UHFFFAOYSA-N 1 0 300.450 3.136 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000840934004 630380190 /nfs/dbraw/zinc/38/01/90/630380190.db2.gz LTXDJMJKWIKGSL-UZLBHIALSA-N 1 0 312.457 3.315 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000840934002 630380191 /nfs/dbraw/zinc/38/01/91/630380191.db2.gz LTXDJMJKWIKGSL-OXJNMPFZSA-N 1 0 312.457 3.315 20 10 DGCDRO CCc1cnc(CC[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000840935101 630380513 /nfs/dbraw/zinc/38/05/13/630380513.db2.gz FKIFBQUVXPKQSK-UHFFFAOYSA-N 1 0 303.475 3.412 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000840941133 630381170 /nfs/dbraw/zinc/38/11/70/630381170.db2.gz SSKUGTSSOSHXCU-LJQANCHMSA-N 1 0 311.429 3.109 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000840951326 630383298 /nfs/dbraw/zinc/38/32/98/630383298.db2.gz WJGASZROOIXABG-RNCFNFMXSA-N 1 0 323.742 3.099 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c(Cl)c1 ZINC000840949431 630383410 /nfs/dbraw/zinc/38/34/10/630383410.db2.gz VZDHRENCMBZFRQ-CQSZACIVSA-N 1 0 323.795 3.186 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000840953135 630383692 /nfs/dbraw/zinc/38/36/92/630383692.db2.gz ZPJZOCFQIUVHSC-VQTJNVASSA-N 1 0 316.489 3.434 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000840950417 630383717 /nfs/dbraw/zinc/38/37/17/630383717.db2.gz IBGSEJSNTPSKLN-QRVBRYPASA-N 1 0 302.462 3.186 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000840954199 630384551 /nfs/dbraw/zinc/38/45/51/630384551.db2.gz ALNJCQMVGGCJSD-UYAOXDASSA-N 1 0 314.473 3.439 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840957048 630384789 /nfs/dbraw/zinc/38/47/89/630384789.db2.gz HZCJBTNSMWNYTB-PMACEKPBSA-N 1 0 310.441 3.369 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CS[C@@H](C)C2)c1O ZINC000840959635 630386088 /nfs/dbraw/zinc/38/60/88/630386088.db2.gz XPWRUPDZAACGPB-JOYOIKCWSA-N 1 0 316.264 3.447 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H](C)CC(F)(F)F)cc1OC ZINC000840964630 630387266 /nfs/dbraw/zinc/38/72/66/630387266.db2.gz TVVDDHLCODSHEK-SECBINFHSA-N 1 0 307.312 3.088 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC(CO)(c3ccccc3)C2)cc1 ZINC000840969493 630388210 /nfs/dbraw/zinc/38/82/10/630388210.db2.gz FYZLNNSWCGFOAP-UHFFFAOYSA-N 1 0 324.468 3.279 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cccc2nccn21 ZINC000840978103 630390016 /nfs/dbraw/zinc/39/00/16/630390016.db2.gz ZXQIXSIFVBSEEM-INIZCTEOSA-N 1 0 322.456 3.430 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnc2ccccn12 ZINC000840977726 630390289 /nfs/dbraw/zinc/39/02/89/630390289.db2.gz XIZJCOOQGCBALI-MRXNPFEDSA-N 1 0 322.456 3.430 20 10 DGCDRO Nc1ccc(CC[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000841036556 630400056 /nfs/dbraw/zinc/40/00/56/630400056.db2.gz VDFQQSBDYUGCRB-UHFFFAOYSA-N 1 0 310.319 3.342 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000841040867 630400434 /nfs/dbraw/zinc/40/04/34/630400434.db2.gz ARHSRCYEJLWQFU-HXUWFJFHSA-N 1 0 309.457 3.420 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000841042835 630401385 /nfs/dbraw/zinc/40/13/85/630401385.db2.gz LOWIBFWZHJKERU-LJQANCHMSA-N 1 0 320.440 3.090 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc(F)cc(Cl)c2)cc1 ZINC000841045508 630402021 /nfs/dbraw/zinc/40/20/21/630402021.db2.gz LYWYLCMGYNMIPY-KRWDZBQOSA-N 1 0 321.827 3.335 20 10 DGCDRO CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841072022 630404321 /nfs/dbraw/zinc/40/43/21/630404321.db2.gz DUAXMEDAEJKGJI-GFCCVEGCSA-N 1 0 303.233 3.177 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2NCCc3ccccc32)cc1 ZINC000841067726 630404464 /nfs/dbraw/zinc/40/44/64/630404464.db2.gz PHEVXLQWQUPJGF-LYSGITKLSA-N 1 0 321.468 3.242 20 10 DGCDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc(N)cc1 ZINC000841296109 630424076 /nfs/dbraw/zinc/42/40/76/630424076.db2.gz OWYHIOCFPYGGPO-UHFFFAOYSA-N 1 0 318.465 3.435 20 10 DGCDRO C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000841296490 630424093 /nfs/dbraw/zinc/42/40/93/630424093.db2.gz TYOCZXLGGGSNRC-ZIAGYGMSSA-N 1 0 316.449 3.043 20 10 DGCDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(N)cc1 ZINC000841301892 630425557 /nfs/dbraw/zinc/42/55/57/630425557.db2.gz HQUSJZPDLMMSKJ-CQSZACIVSA-N 1 0 304.438 3.045 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(Cl)cc1O ZINC000841748028 630461623 /nfs/dbraw/zinc/46/16/23/630461623.db2.gz GPLPMKLLCAMGGS-GXTWGEPZSA-N 1 0 317.820 3.370 20 10 DGCDRO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841746258 630461720 /nfs/dbraw/zinc/46/17/20/630461720.db2.gz XBWPRYYRKREOSU-BDJLRTHQSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(Cl)cc1O ZINC000841745512 630462002 /nfs/dbraw/zinc/46/20/02/630462002.db2.gz ZDZOSOKRIWXNIH-JSGCOSHPSA-N 1 0 321.804 3.136 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(Cl)cc1O ZINC000841748030 630462035 /nfs/dbraw/zinc/46/20/35/630462035.db2.gz GPLPMKLLCAMGGS-JSGCOSHPSA-N 1 0 317.820 3.370 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](CC(C)C)OC)CC2)cc1 ZINC000841756263 630462294 /nfs/dbraw/zinc/46/22/94/630462294.db2.gz SFCTWEBJNZUCIK-LJQANCHMSA-N 1 0 320.477 3.315 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(Cl)cc1O ZINC000841755556 630462372 /nfs/dbraw/zinc/46/23/72/630462372.db2.gz JDQMVZJCEWUJBE-NHYWBVRUSA-N 1 0 323.795 3.439 20 10 DGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(Cl)cc1O ZINC000841752967 630462442 /nfs/dbraw/zinc/46/24/42/630462442.db2.gz DGTCMOCQPXHQEQ-NCHVAJSOSA-N 1 0 319.788 3.191 20 10 DGCDRO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1O ZINC000841761813 630462896 /nfs/dbraw/zinc/46/28/96/630462896.db2.gz GWEFPGBJMPDOST-GIGQVBGESA-N 1 0 303.855 3.243 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)CC2CCCCC2)c1 ZINC000841763577 630463301 /nfs/dbraw/zinc/46/33/01/630463301.db2.gz ZYZZGEAORDVXSN-DZGCQCFKSA-N 1 0 307.434 3.383 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O ZINC000841764594 630463314 /nfs/dbraw/zinc/46/33/14/630463314.db2.gz GWVNHXHJSIHCKP-ONGXEEELSA-N 1 0 304.768 3.036 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(Cl)cc1O ZINC000841763097 630463455 /nfs/dbraw/zinc/46/34/55/630463455.db2.gz URXBLBIFPOZPKF-KOLCDFICSA-N 1 0 304.768 3.036 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c(O)cc1C ZINC000842644224 630557832 /nfs/dbraw/zinc/55/78/32/630557832.db2.gz DUXVQVZGLUQYKO-CQSZACIVSA-N 1 0 305.418 3.243 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CSc3ccccc3O2)c1 ZINC000842726709 630568148 /nfs/dbraw/zinc/56/81/48/630568148.db2.gz MILZRGOAHIEYBE-AWEZNQCLSA-N 1 0 301.411 3.344 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CCO)c2ccccc2F)c1 ZINC000842763156 630573599 /nfs/dbraw/zinc/57/35/99/630573599.db2.gz LWIHTPXEORFDOV-KRWDZBQOSA-N 1 0 319.376 3.143 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc2n(n1)CCCC2 ZINC000842835965 630582988 /nfs/dbraw/zinc/58/29/88/630582988.db2.gz JUJLIYCWLUOWAE-OAHLLOKOSA-N 1 0 324.472 3.453 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(Cl)cc1O ZINC000842881981 630589100 /nfs/dbraw/zinc/58/91/00/630589100.db2.gz MWAXBKZGDOJDHS-ZWNOBZJWSA-N 1 0 310.825 3.096 20 10 DGCDRO COc1ccc(OC)c(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843057486 630609355 /nfs/dbraw/zinc/60/93/55/630609355.db2.gz OZLNIMGVPFOVHW-UHFFFAOYSA-N 1 0 312.413 3.115 20 10 DGCDRO CC(=O)Nc1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843057872 630609560 /nfs/dbraw/zinc/60/95/60/630609560.db2.gz WDXSZUDBLWSHEM-UHFFFAOYSA-N 1 0 309.413 3.057 20 10 DGCDRO Oc1c(F)cccc1CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000843119249 630615756 /nfs/dbraw/zinc/61/57/56/630615756.db2.gz SGWFVHPJWAOQHH-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C\C2CCCCC2)cc1 ZINC000843296909 630643545 /nfs/dbraw/zinc/64/35/45/630643545.db2.gz COPOXDPIYWTRIJ-RUEYPURISA-N 1 0 315.461 3.005 20 10 DGCDRO Cc1c(CN2CCCc3cc(C[NH3+])ccc32)cccc1[N+](=O)[O-] ZINC000843350123 630648940 /nfs/dbraw/zinc/64/89/40/630648940.db2.gz JIVWYSAUPNHFDS-UHFFFAOYSA-N 1 0 311.385 3.315 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCOc1ccccc1F ZINC000843349631 630648951 /nfs/dbraw/zinc/64/89/51/630648951.db2.gz GTNKNDJJWJTNTG-UHFFFAOYSA-N 1 0 300.377 3.116 20 10 DGCDRO COc1ccc(N(Cc2cccs2)C[C@H]2CC[NH2+]C2)cc1 ZINC000843356036 630649532 /nfs/dbraw/zinc/64/95/32/630649532.db2.gz BSFAPQFRNYPSFV-AWEZNQCLSA-N 1 0 302.443 3.373 20 10 DGCDRO Cc1ccc(CN(C[C@H](C)[NH3+])c2ccc3c(c2)OCCO3)s1 ZINC000843357228 630649673 /nfs/dbraw/zinc/64/96/73/630649673.db2.gz DAZDANOBUTZTON-LBPRGKRZSA-N 1 0 318.442 3.182 20 10 DGCDRO COc1ncncc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000843396380 630652229 /nfs/dbraw/zinc/65/22/29/630652229.db2.gz BSSNPLMRICHFRG-UHFFFAOYSA-N 1 0 313.401 3.136 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1O ZINC000843415910 630654329 /nfs/dbraw/zinc/65/43/29/630654329.db2.gz FAHHJNPLMLMLKX-JKSUJKDBSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843417993 630655022 /nfs/dbraw/zinc/65/50/22/630655022.db2.gz YJFYDSZGKYXYKD-MJGOQNOKSA-N 1 0 302.462 3.452 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000843430966 630657750 /nfs/dbraw/zinc/65/77/50/630657750.db2.gz KHAQNMGYMXGKKT-INIZCTEOSA-N 1 0 302.462 3.452 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c(O)c1 ZINC000843432118 630658023 /nfs/dbraw/zinc/65/80/23/630658023.db2.gz QXZKBPOMTCIPJW-AWEZNQCLSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCS[C@H]2C)c1O ZINC000843435198 630659054 /nfs/dbraw/zinc/65/90/54/630659054.db2.gz RBFWGAAXZDVSPV-CABZTGNLSA-N 1 0 316.264 3.447 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000843436420 630659458 /nfs/dbraw/zinc/65/94/58/630659458.db2.gz LAOXLOPAAOUBEP-GXTWGEPZSA-N 1 0 321.417 3.001 20 10 DGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@H](C)[NH3+] ZINC000843484236 630662171 /nfs/dbraw/zinc/66/21/71/630662171.db2.gz ITCGKVIVVLGYLR-LSDHHAIUSA-N 1 0 312.413 3.219 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c(C)n1-c1ccccc1C ZINC000843505001 630663569 /nfs/dbraw/zinc/66/35/69/630663569.db2.gz SUYZHJBCJOXFKO-ZIAGYGMSSA-N 1 0 313.445 3.258 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)CCC(C)(C)[NH3+])cc1 ZINC000844166765 630711247 /nfs/dbraw/zinc/71/12/47/630711247.db2.gz HPUIAJZZHBDLQA-UHFFFAOYSA-N 1 0 305.466 3.009 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCc2ccncc2C)cc1 ZINC000844400334 630724678 /nfs/dbraw/zinc/72/46/78/630724678.db2.gz AQAVVZZJNJWQBE-UHFFFAOYSA-N 1 0 313.445 3.009 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CNc3ccccc3C2)c1O ZINC000844904850 630972678 /nfs/dbraw/zinc/97/26/78/630972678.db2.gz CYJNRIZPPCPTAQ-CQSZACIVSA-N 1 0 318.804 3.181 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CC[C@H]2CCc3ccccc3N2)c1 ZINC000844912365 630979001 /nfs/dbraw/zinc/97/90/01/630979001.db2.gz SPGAVPHSLIUFFY-MRXNPFEDSA-N 1 0 312.413 3.307 20 10 DGCDRO COc1cc(F)c(C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000845905394 631201930 /nfs/dbraw/zinc/20/19/30/631201930.db2.gz HDRVRDVRUBYVML-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)cc1C ZINC000846015717 631206285 /nfs/dbraw/zinc/20/62/85/631206285.db2.gz CXAJMBQRODCRNW-FZKQIMNGSA-N 1 0 303.377 3.360 20 10 DGCDRO C[C@@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1F ZINC000846017950 631206351 /nfs/dbraw/zinc/20/63/51/631206351.db2.gz RIMPFWQBVWTVPK-QLJPJBMISA-N 1 0 309.768 3.396 20 10 DGCDRO CCC[C@@H](C)[C@@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000846018689 631206372 /nfs/dbraw/zinc/20/63/72/631206372.db2.gz VZYZGCMBQZFBGA-DNVCBOLYSA-N 1 0 320.477 3.051 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)cc1C ZINC000846015720 631206413 /nfs/dbraw/zinc/20/64/13/631206413.db2.gz CXAJMBQRODCRNW-UGSOOPFHSA-N 1 0 303.377 3.360 20 10 DGCDRO CCC[C@H](C)[C@@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000846018691 631206438 /nfs/dbraw/zinc/20/64/38/631206438.db2.gz VZYZGCMBQZFBGA-HNAYVOBHSA-N 1 0 320.477 3.051 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H]1C ZINC000846055195 631208415 /nfs/dbraw/zinc/20/84/15/631208415.db2.gz JWEXOJPMPAUULT-COPLHBTASA-N 1 0 311.809 3.113 20 10 DGCDRO COc1cc(C[NH2+]Cc2cc(Cl)ccc2O)cc2c1OCO2 ZINC000846058209 631208587 /nfs/dbraw/zinc/20/85/87/631208587.db2.gz OAORXWCDIYBNMO-UHFFFAOYSA-N 1 0 321.760 3.073 20 10 DGCDRO COc1cccc(C[C@H](C)[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000846055803 631208592 /nfs/dbraw/zinc/20/85/92/631208592.db2.gz NZYLBFZUJFBSQZ-NSHDSACASA-N 1 0 306.793 3.170 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]CCC[C@@H]1CC1(Cl)Cl)OCO2 ZINC000846103477 631209732 /nfs/dbraw/zinc/20/97/32/631209732.db2.gz YTSQWEAJQJOCTA-SNVBAGLBSA-N 1 0 318.200 3.185 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)c1O ZINC000846136323 631211321 /nfs/dbraw/zinc/21/13/21/631211321.db2.gz KMZFKRPAENYOJI-GFCCVEGCSA-N 1 0 314.385 3.210 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1F ZINC000846137607 631211322 /nfs/dbraw/zinc/21/13/22/631211322.db2.gz UHFRRWSWYITFDV-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO COc1ccc(CC[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846138517 631211484 /nfs/dbraw/zinc/21/14/84/631211484.db2.gz TZHWCBOFNCBLLN-CYBMUJFWSA-N 1 0 301.386 3.303 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCc3ccccc32)c1O ZINC000846140963 631211662 /nfs/dbraw/zinc/21/16/62/631211662.db2.gz BNUHRDWVBICSMZ-CQSZACIVSA-N 1 0 312.413 3.114 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1O ZINC000846143615 631211754 /nfs/dbraw/zinc/21/17/54/631211754.db2.gz JWOGBGDGYNTWBL-JONQDZQNSA-N 1 0 320.477 3.418 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](CCO)C2CCCCC2)c1O ZINC000846143948 631211756 /nfs/dbraw/zinc/21/17/56/631211756.db2.gz BHUMHSUQSKNHBI-XJKSGUPXSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1O ZINC000846143613 631211897 /nfs/dbraw/zinc/21/18/97/631211897.db2.gz JWOGBGDGYNTWBL-FZKCQIBNSA-N 1 0 320.477 3.418 20 10 DGCDRO CCc1nc(CC[NH2+][C@H](C)c2cccc(OC)c2O)cs1 ZINC000846145204 631211918 /nfs/dbraw/zinc/21/19/18/631211918.db2.gz MFXYNOOBSAGSHB-LLVKDONJSA-N 1 0 306.431 3.313 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)c1O ZINC000846145285 631212027 /nfs/dbraw/zinc/21/20/27/631212027.db2.gz PFQPSRGKCQSQSY-BBRMVZONSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)c1O ZINC000846147197 631212091 /nfs/dbraw/zinc/21/20/91/631212091.db2.gz UTNGDGUNWWALTN-CYBMUJFWSA-N 1 0 311.385 3.208 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)[C@H](C)c2ccccc2)c1O ZINC000846152960 631212246 /nfs/dbraw/zinc/21/22/46/631212246.db2.gz WADIAJXSCKQOSC-JKIFEVAISA-N 1 0 315.413 3.216 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c1O ZINC000846148681 631212262 /nfs/dbraw/zinc/21/22/62/631212262.db2.gz AEYXBONDQMLMFY-LLVKDONJSA-N 1 0 323.339 3.409 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccc(Cl)cn2)c1O ZINC000846152425 631212264 /nfs/dbraw/zinc/21/22/64/631212264.db2.gz AUPOTLRKDDOQAG-NSHDSACASA-N 1 0 322.792 3.179 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c1O ZINC000846150980 631212294 /nfs/dbraw/zinc/21/22/94/631212294.db2.gz QYFQLMOCMZLUCR-FZKQIMNGSA-N 1 0 313.397 3.365 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846161726 631212841 /nfs/dbraw/zinc/21/28/41/631212841.db2.gz BVKJWSRKTPDJPT-KGLIPLIRSA-N 1 0 319.401 3.292 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c1O ZINC000846165002 631212939 /nfs/dbraw/zinc/21/29/39/631212939.db2.gz KASKISLKKWKYAA-HIFRSBDPSA-N 1 0 317.433 3.225 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000846165686 631212991 /nfs/dbraw/zinc/21/29/91/631212991.db2.gz XQCVWQWLRHKRGG-RZAIGCCYSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c1O ZINC000846166791 631213202 /nfs/dbraw/zinc/21/32/02/631213202.db2.gz PDNKSBHEHVGNBB-HIFRSBDPSA-N 1 0 304.434 3.068 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)c2cccnc2)c1O ZINC000846171923 631213495 /nfs/dbraw/zinc/21/34/95/631213495.db2.gz JNXZIBJQHSWBRI-ZDUSSCGKSA-N 1 0 300.402 3.424 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846170965 631213587 /nfs/dbraw/zinc/21/35/87/631213587.db2.gz NPIKYIJHPVXYCA-SUMWQHHRSA-N 1 0 315.413 3.347 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000846181557 631213939 /nfs/dbraw/zinc/21/39/39/631213939.db2.gz CFEARDPGCRTEHO-BKGUAONASA-N 1 0 301.361 3.230 20 10 DGCDRO CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000846178472 631213960 /nfs/dbraw/zinc/21/39/60/631213960.db2.gz WDISTLWAHGTIJE-GFCCVEGCSA-N 1 0 300.393 3.299 20 10 DGCDRO C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1F ZINC000846185113 631214103 /nfs/dbraw/zinc/21/41/03/631214103.db2.gz ZTMNXRNBGYJHMJ-DINDLPBHSA-N 1 0 307.340 3.443 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846207094 631214850 /nfs/dbraw/zinc/21/48/50/631214850.db2.gz YIZXMKBKLVWJGQ-NWDGAFQWSA-N 1 0 322.836 3.016 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000846215079 631215185 /nfs/dbraw/zinc/21/51/85/631215185.db2.gz JZQSAQDDUNWBOO-XJKSGUPXSA-N 1 0 312.413 3.128 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cc1 ZINC000846932761 631358373 /nfs/dbraw/zinc/35/83/73/631358373.db2.gz TWBRRIMOWLPDPJ-SFHVURJKSA-N 1 0 312.461 3.112 20 10 DGCDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000848526416 631678284 /nfs/dbraw/zinc/67/82/84/631678284.db2.gz ZOIJTVZQAVPOKC-INIZCTEOSA-N 1 0 310.353 3.307 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000848554338 631690809 /nfs/dbraw/zinc/69/08/09/631690809.db2.gz YROQALIMEGJDPL-CRAIPNDOSA-N 1 0 312.461 3.313 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)c1 ZINC000848559236 631692680 /nfs/dbraw/zinc/69/26/80/631692680.db2.gz QWXJEHKKRHCRKI-GUYCJALGSA-N 1 0 310.397 3.305 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000848562112 631693996 /nfs/dbraw/zinc/69/39/96/631693996.db2.gz HCOYTYKUXPWYNG-VHSXEESVSA-N 1 0 315.360 3.299 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCOc2c(OC)cccc21 ZINC000848575188 631700569 /nfs/dbraw/zinc/70/05/69/631700569.db2.gz LOULBMAWZQBMLY-CQSZACIVSA-N 1 0 315.369 3.023 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848575882 631701401 /nfs/dbraw/zinc/70/14/01/631701401.db2.gz XMVZTKJLJUCHBS-WOJBJXKFSA-N 1 0 313.489 3.393 20 10 DGCDRO CCc1cccc(C[N@H+](C)Cc2cc(C(=O)OC)c(C)o2)c1O ZINC000848880406 631767970 /nfs/dbraw/zinc/76/79/70/631767970.db2.gz HJCZOLLTEHJKOB-UHFFFAOYSA-N 1 0 317.385 3.275 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1O ZINC000848882808 631769114 /nfs/dbraw/zinc/76/91/14/631769114.db2.gz BTQCEJDHUMAFDW-SFHVURJKSA-N 1 0 319.445 3.115 20 10 DGCDRO CCc1cccc(C[N@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c1O ZINC000848887874 631773288 /nfs/dbraw/zinc/77/32/88/631773288.db2.gz GXJQCMCYTUKYBP-ZWKOTPCHSA-N 1 0 318.461 3.176 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2)c1O ZINC000848890431 631773733 /nfs/dbraw/zinc/77/37/33/631773733.db2.gz IQVXWRGUSPJFNA-UHFFFAOYSA-N 1 0 301.386 3.262 20 10 DGCDRO CCc1cccc(C[NH2+]CCn2c(C)nc3ccccc32)c1O ZINC000848891800 631774607 /nfs/dbraw/zinc/77/46/07/631774607.db2.gz ZQXWOHDSEHIVCJ-UHFFFAOYSA-N 1 0 309.413 3.403 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](O)c2c(F)cccc2F)c1O ZINC000848897042 631777748 /nfs/dbraw/zinc/77/77/48/631777748.db2.gz MHDMBNVIAYWJEE-HNNXBMFYSA-N 1 0 307.340 3.056 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@H]([S@](=O)CC)C2)c1O ZINC000848897414 631777805 /nfs/dbraw/zinc/77/78/05/631777805.db2.gz ILYSMEPHQAYYRG-VWKPWSFCSA-N 1 0 309.475 3.124 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)c1O ZINC000848905292 631780311 /nfs/dbraw/zinc/78/03/11/631780311.db2.gz GGHJGJPEXCQRGX-RYUDHWBXSA-N 1 0 302.422 3.437 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1O ZINC000848903877 631780431 /nfs/dbraw/zinc/78/04/31/631780431.db2.gz FZJBFUCFSPKMGJ-UHFFFAOYSA-N 1 0 315.335 3.298 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)c1O ZINC000848905832 631781617 /nfs/dbraw/zinc/78/16/17/631781617.db2.gz PAIYCISZZHCFID-OAHLLOKOSA-N 1 0 317.351 3.498 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000848912506 631784209 /nfs/dbraw/zinc/78/42/09/631784209.db2.gz GWSKHGCZOHYLSK-HXUWFJFHSA-N 1 0 311.425 3.091 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1O ZINC000848914108 631785786 /nfs/dbraw/zinc/78/57/86/631785786.db2.gz IGOHGGBPFKYHCL-GOSISDBHSA-N 1 0 314.429 3.199 20 10 DGCDRO CCc1cccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1O ZINC000848917315 631786793 /nfs/dbraw/zinc/78/67/93/631786793.db2.gz QLANYUIOUDFUJX-UHFFFAOYSA-N 1 0 315.457 3.231 20 10 DGCDRO CCOc1cccc(CN2CC[NH+](C(C)(C)CC)CC2)c1O ZINC000848925247 631789311 /nfs/dbraw/zinc/78/93/11/631789311.db2.gz QUVSAIFRUKHVSD-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848927645 631791012 /nfs/dbraw/zinc/79/10/12/631791012.db2.gz JOKFUSKURGAJAO-OALUTQOASA-N 1 0 301.478 3.168 20 10 DGCDRO CC1CCN(c2ccc(CNC(=[NH2+])NC3CCC3)cc2)CC1 ZINC000849006527 631804745 /nfs/dbraw/zinc/80/47/45/631804745.db2.gz OCQDRTTVNPJOEX-UHFFFAOYSA-N 1 0 300.450 3.089 20 10 DGCDRO COc1ccc(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)c(O)c1 ZINC000849025262 631810384 /nfs/dbraw/zinc/81/03/84/631810384.db2.gz WMEZIOOLBMJJLC-ZDUSSCGKSA-N 1 0 307.438 3.230 20 10 DGCDRO COc1ccc(NC(=[NH2+])NCc2ccccc2O)cc1Cl ZINC000849058730 631822589 /nfs/dbraw/zinc/82/25/89/631822589.db2.gz PQAXFCAEOQVLJT-UHFFFAOYSA-N 1 0 305.765 3.191 20 10 DGCDRO Cc1c[nH]c(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000850013829 632029119 /nfs/dbraw/zinc/02/91/19/632029119.db2.gz CBZHRFYONOEMFG-UHFFFAOYSA-N 1 0 308.429 3.458 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850058947 632042757 /nfs/dbraw/zinc/04/27/57/632042757.db2.gz GFDQFQMWYKDRRB-ZDUSSCGKSA-N 1 0 307.434 3.215 20 10 DGCDRO Cn1ncc(C2CC2)c1C[NH2+]CCCSc1nccs1 ZINC000850143119 632065276 /nfs/dbraw/zinc/06/52/76/632065276.db2.gz CSISUUXKIXWBIN-UHFFFAOYSA-N 1 0 308.476 3.026 20 10 DGCDRO COc1cc(C[NH2+]C[C@H](C)C[C@@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000850153122 632066753 /nfs/dbraw/zinc/06/67/53/632066753.db2.gz AJWPYVDRQUSLLA-CHWSQXEVSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+]CCc2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000850189506 632075729 /nfs/dbraw/zinc/07/57/29/632075729.db2.gz CDNLRHQXVOLAFP-UHFFFAOYSA-N 1 0 314.429 3.426 20 10 DGCDRO COc1cc(C[NH2+]Cc2cnn(C)c2C)c(O)c(C(C)(C)C)c1 ZINC000850225989 632085385 /nfs/dbraw/zinc/08/53/85/632085385.db2.gz JKPYBQFULBGWGD-UHFFFAOYSA-N 1 0 317.433 3.030 20 10 DGCDRO COc1cc(C[NH2+]CCC[C@H](C)CO)c(O)c(C(C)(C)C)c1 ZINC000850226881 632086461 /nfs/dbraw/zinc/08/64/61/632086461.db2.gz UHNJNHUMFGSGQM-ZDUSSCGKSA-N 1 0 309.450 3.197 20 10 DGCDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850244753 632092134 /nfs/dbraw/zinc/09/21/34/632092134.db2.gz CJMWRWDEUMCQRW-XIKOKIGWSA-N 1 0 307.434 3.355 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c(O)c(C(C)(C)C)c1 ZINC000850320491 632112405 /nfs/dbraw/zinc/11/24/05/632112405.db2.gz JXGVGKJBBPHLMJ-JSGCOSHPSA-N 1 0 307.434 3.355 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)c2ccn(C)n2)c(O)c(C(C)(C)C)c1 ZINC000850325196 632114006 /nfs/dbraw/zinc/11/40/06/632114006.db2.gz WTISTANWISEBCY-LBPRGKRZSA-N 1 0 317.433 3.283 20 10 DGCDRO COC[C@@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)OC ZINC000850345221 632119828 /nfs/dbraw/zinc/11/98/28/632119828.db2.gz OQBVWPMUFAZVLF-GOSISDBHSA-N 1 0 315.413 3.200 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(OC)c3)C2)cc1 ZINC000850345484 632120222 /nfs/dbraw/zinc/12/02/22/632120222.db2.gz BQCJFRCUAATEMB-INIZCTEOSA-N 1 0 312.413 3.072 20 10 DGCDRO CCC1(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1 ZINC000850346584 632120304 /nfs/dbraw/zinc/12/03/04/632120304.db2.gz HJXHCSWACCVZAI-MRXNPFEDSA-N 1 0 318.461 3.070 20 10 DGCDRO CCc1ccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000850347300 632120822 /nfs/dbraw/zinc/12/08/22/632120822.db2.gz PZUWYMCJWIXSFR-AWEZNQCLSA-N 1 0 300.402 3.219 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]CC3(OC)CCCCC3)C2)cc1 ZINC000850346939 632121051 /nfs/dbraw/zinc/12/10/51/632121051.db2.gz LJUPUEQMZNYAGZ-INIZCTEOSA-N 1 0 318.461 3.213 20 10 DGCDRO Oc1ccccc1C[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000850355884 632123885 /nfs/dbraw/zinc/12/38/85/632123885.db2.gz MGKKNLZTBRKAGF-CQSZACIVSA-N 1 0 303.324 3.372 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2cnccc2C)ccc1OC ZINC000850355610 632123991 /nfs/dbraw/zinc/12/39/91/632123991.db2.gz JXKRCZNCTUWXDF-UHFFFAOYSA-N 1 0 314.429 3.267 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2COC3(CCC3)C2)ccc1OC ZINC000850367268 632126853 /nfs/dbraw/zinc/12/68/53/632126853.db2.gz BKVSGLFRGOTWKG-MRXNPFEDSA-N 1 0 305.418 3.033 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)COc2c(F)cccc2F)c1O ZINC000850366990 632126972 /nfs/dbraw/zinc/12/69/72/632126972.db2.gz UCYQDLVYBLGKOI-NSHDSACASA-N 1 0 323.339 3.236 20 10 DGCDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C12CCC2 ZINC000850388999 632136934 /nfs/dbraw/zinc/13/69/34/632136934.db2.gz RLLGTFYFXVAOLM-MSOLQXFVSA-N 1 0 300.446 3.070 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c(O)c(C(C)(C)C)c1 ZINC000850388510 632137041 /nfs/dbraw/zinc/13/70/41/632137041.db2.gz NIGLHAXHUBYORD-CVEARBPZSA-N 1 0 319.445 3.091 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000850405503 632141444 /nfs/dbraw/zinc/14/14/44/632141444.db2.gz RIZAONFOEKBPLA-UHFFFAOYSA-N 1 0 305.752 3.076 20 10 DGCDRO CC(C)CC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000850405041 632141543 /nfs/dbraw/zinc/14/15/43/632141543.db2.gz ZMRMTBMZLRAHTK-UHFFFAOYSA-N 1 0 306.425 3.331 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)c2ccc(F)cc2F)cc1C ZINC000850410031 632143059 /nfs/dbraw/zinc/14/30/59/632143059.db2.gz DVAULLJQQBZOGC-MRXNPFEDSA-N 1 0 307.340 3.110 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)c2ccc(F)cc2F)cc1C ZINC000850410029 632143171 /nfs/dbraw/zinc/14/31/71/632143171.db2.gz DVAULLJQQBZOGC-INIZCTEOSA-N 1 0 307.340 3.110 20 10 DGCDRO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000850485046 632166915 /nfs/dbraw/zinc/16/69/15/632166915.db2.gz WNNPEGSTMHMERP-CQSZACIVSA-N 1 0 312.413 3.188 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000850486314 632167879 /nfs/dbraw/zinc/16/78/79/632167879.db2.gz AREPDVXMEGKLHN-DNVCBOLYSA-N 1 0 302.462 3.489 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C3(OC)CCCC3)C2)cc1 ZINC000850486713 632167997 /nfs/dbraw/zinc/16/79/97/632167997.db2.gz JOCFBVAARFBPIT-HOTGVXAUSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3nccs3)C2)cc1 ZINC000850489257 632168187 /nfs/dbraw/zinc/16/81/87/632168187.db2.gz SFYUASBAFQTKKX-CHWSQXEVSA-N 1 0 303.431 3.081 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3csc(C)n3)C2)cc1 ZINC000850489142 632168371 /nfs/dbraw/zinc/16/83/71/632168371.db2.gz RFPDRPQXVOEEQJ-OCCSQVGLSA-N 1 0 317.458 3.390 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cccc(O)c3)C2)cc1 ZINC000850488925 632168576 /nfs/dbraw/zinc/16/85/76/632168576.db2.gz POUKXFWLKAFXAW-GDBMZVCRSA-N 1 0 312.413 3.330 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCc4cccnc43)C2)cc1 ZINC000850488578 632168624 /nfs/dbraw/zinc/16/86/24/632168624.db2.gz NKDINWXTPUTPOY-APWZRJJASA-N 1 0 323.440 3.336 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cncs3)C2)cc1 ZINC000850488422 632168693 /nfs/dbraw/zinc/16/86/93/632168693.db2.gz MRHHIOCKKBTSBA-CHWSQXEVSA-N 1 0 303.431 3.081 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](COC)C2CCOCC2)cc1 ZINC000850491539 632169789 /nfs/dbraw/zinc/16/97/89/632169789.db2.gz FAFBHTSFWOHMSQ-HNAYVOBHSA-N 1 0 320.477 3.235 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](COC)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000850491693 632169865 /nfs/dbraw/zinc/16/98/65/632169865.db2.gz ILJZLHPBVQDPLK-MOPGFXCFSA-N 1 0 320.477 3.235 20 10 DGCDRO COC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C1CCOCC1 ZINC000850493421 632170822 /nfs/dbraw/zinc/17/08/22/632170822.db2.gz HLZZILOLODHXAZ-CQDKDKBSSA-N 1 0 323.408 3.111 20 10 DGCDRO CC[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(C)cc1O ZINC000850496041 632171730 /nfs/dbraw/zinc/17/17/30/632171730.db2.gz MKUBLIKZUQCLGW-LAJNKCICSA-N 1 0 323.380 3.052 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cc2c(cc1O)CCCC2 ZINC000850499605 632172329 /nfs/dbraw/zinc/17/23/29/632172329.db2.gz SPWWDTMQZUGBQJ-MKBNYLNASA-N 1 0 312.417 3.219 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(O)c1 ZINC000850501069 632172494 /nfs/dbraw/zinc/17/24/94/632172494.db2.gz JPOJFMUOBOFHGD-WPLACJGDSA-N 1 0 309.475 3.349 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1 ZINC000850501492 632173362 /nfs/dbraw/zinc/17/33/62/632173362.db2.gz NFXQZQFZKLKQEA-GIJXAMHUSA-N 1 0 322.518 3.483 20 10 DGCDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000850502881 632173722 /nfs/dbraw/zinc/17/37/22/632173722.db2.gz SMHMVDLRERVXST-HPFXQQBRSA-N 1 0 321.461 3.226 20 10 DGCDRO COC(=O)c1nc(C[NH2+][C@H](C)c2ccccc2O)ccc1Cl ZINC000850515103 632176652 /nfs/dbraw/zinc/17/66/52/632176652.db2.gz ZOQFECBIFUTCBG-SNVBAGLBSA-N 1 0 320.776 3.078 20 10 DGCDRO COc1ccnc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1F ZINC000850538305 632185956 /nfs/dbraw/zinc/18/59/56/632185956.db2.gz YHBMPKLMZQJAFA-LBPRGKRZSA-N 1 0 304.365 3.403 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COc3cc(F)ccc3C2)c(O)c1 ZINC000850536771 632186017 /nfs/dbraw/zinc/18/60/17/632186017.db2.gz JSUZMWGKBJRRGH-SWLSCSKDSA-N 1 0 301.361 3.494 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cc(F)ccc1O ZINC000850541086 632186607 /nfs/dbraw/zinc/18/66/07/632186607.db2.gz ROOICCDSPAQWOX-DXCKQFNASA-N 1 0 317.408 3.327 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O ZINC000850555416 632192185 /nfs/dbraw/zinc/19/21/85/632192185.db2.gz IFDJQNHWLGJIII-HIFRSBDPSA-N 1 0 304.434 3.080 20 10 DGCDRO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(N(C)C)cc1 ZINC000850565751 632195539 /nfs/dbraw/zinc/19/55/39/632195539.db2.gz GQMGUGITGSOZKQ-CYBMUJFWSA-N 1 0 312.404 3.344 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000850565666 632195739 /nfs/dbraw/zinc/19/57/39/632195739.db2.gz HEVXHHUPQBTFHM-OAHLLOKOSA-N 1 0 314.429 3.400 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000850568276 632196451 /nfs/dbraw/zinc/19/64/51/632196451.db2.gz UKDVRWIBMIDXJC-LJQANCHMSA-N 1 0 302.462 3.316 20 10 DGCDRO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(F)ccc1O ZINC000850566290 632196516 /nfs/dbraw/zinc/19/65/16/632196516.db2.gz KYJGONZSUXQFQL-SNVBAGLBSA-N 1 0 303.324 3.122 20 10 DGCDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000850571158 632198415 /nfs/dbraw/zinc/19/84/15/632198415.db2.gz NWGFYMAQFKVVRX-VUCTXSBTSA-N 1 0 324.852 3.005 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1nccn1C ZINC000850573365 632198466 /nfs/dbraw/zinc/19/84/66/632198466.db2.gz YNMBIXGAZCLJCU-VHSXEESVSA-N 1 0 324.222 3.300 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1nccn1C ZINC000850572459 632198587 /nfs/dbraw/zinc/19/85/87/632198587.db2.gz KFZZCHFKEOTSRI-UWVGGRQHSA-N 1 0 324.222 3.300 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c1 ZINC000850574402 632199299 /nfs/dbraw/zinc/19/92/99/632199299.db2.gz YAAXAYZKLKWNNW-AWEZNQCLSA-N 1 0 304.434 3.177 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)CC2 ZINC000850580067 632200918 /nfs/dbraw/zinc/20/09/18/632200918.db2.gz GJLUTNQETMGJNZ-ZFWWWQNUSA-N 1 0 323.314 3.120 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](C)O)c1 ZINC000850582289 632202371 /nfs/dbraw/zinc/20/23/71/632202371.db2.gz DBLRGQDUXNTFLX-LXIYXOSZSA-N 1 0 301.386 3.174 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](C)O)c1O ZINC000850585481 632202910 /nfs/dbraw/zinc/20/29/10/632202910.db2.gz YPJLPYVBZVWWOZ-DCGLDWPTSA-N 1 0 301.386 3.174 20 10 DGCDRO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1 ZINC000109769848 632315987 /nfs/dbraw/zinc/31/59/87/632315987.db2.gz DIUVNFQKEMPESI-CQSZACIVSA-N 1 0 312.413 3.414 20 10 DGCDRO COc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)on1 ZINC000851731678 632476874 /nfs/dbraw/zinc/47/68/74/632476874.db2.gz ALZBAZQIYMSMKO-UHFFFAOYSA-N 1 0 303.406 3.160 20 10 DGCDRO CO[C@H](C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)[C@H]1CCOC1 ZINC000851732052 632478070 /nfs/dbraw/zinc/47/80/70/632478070.db2.gz HZOMSLWGGLHQIQ-PKOBYXMFSA-N 1 0 320.477 3.015 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C2CC2)C2(CO)CCC2)c1O ZINC000852159316 632565707 /nfs/dbraw/zinc/56/57/07/632565707.db2.gz URUZXUBGLRQFDO-UHFFFAOYSA-N 1 0 323.820 3.128 20 10 DGCDRO Cc1cc(C[N@H+](C)[C@@H](CO)Cc2ccccc2)ccc1N(C)C ZINC000852287854 632580989 /nfs/dbraw/zinc/58/09/89/632580989.db2.gz IAMNQQFRPOFQTA-LJQANCHMSA-N 1 0 312.457 3.096 20 10 DGCDRO Cc1cc(C[NH2+][C@H](CO)C2CCC2)ccc1N1CCCCC1 ZINC000852321644 632586819 /nfs/dbraw/zinc/58/68/19/632586819.db2.gz YNTJUHFICPKWKJ-GOSISDBHSA-N 1 0 302.462 3.236 20 10 DGCDRO C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000110644078 632614378 /nfs/dbraw/zinc/61/43/78/632614378.db2.gz ZSDLWFBIWQJLOS-SECBINFHSA-N 1 0 303.233 3.258 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000184912693 660194395 /nfs/dbraw/zinc/19/43/95/660194395.db2.gz WPFRTMZGJNHFHX-XHSDSOJGSA-N 1 0 320.477 3.239 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000184916570 660195059 /nfs/dbraw/zinc/19/50/59/660195059.db2.gz PURKTUOSKWWVEK-LLVKDONJSA-N 1 0 302.349 3.341 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(=O)NCc2ccccc2)c1 ZINC000185252339 660211421 /nfs/dbraw/zinc/21/14/21/660211421.db2.gz FTCLRTGDMKHCDA-HNNXBMFYSA-N 1 0 312.413 3.058 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c1 ZINC000185353560 660218186 /nfs/dbraw/zinc/21/81/86/660218186.db2.gz JOFHKYRWQIMELE-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO COC1(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)CCOCC1 ZINC000186146946 660270235 /nfs/dbraw/zinc/27/02/35/660270235.db2.gz SSZFHGROUPTMPK-AWEZNQCLSA-N 1 0 315.413 3.392 20 10 DGCDRO COC1(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CCOCC1 ZINC000186147042 660270316 /nfs/dbraw/zinc/27/03/16/660270316.db2.gz ZIMNAAYRDNVHLJ-CQSZACIVSA-N 1 0 319.445 3.117 20 10 DGCDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000186900976 660583180 /nfs/dbraw/zinc/58/31/80/660583180.db2.gz HRCLABZSVLYOKJ-UHFFFAOYSA-N 1 0 314.385 3.192 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)Cc2cc(Cl)cn2C)c1O ZINC000164486085 660607566 /nfs/dbraw/zinc/60/75/66/660607566.db2.gz HDFJXWWJJDJMIK-UHFFFAOYSA-N 1 0 308.809 3.333 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000701861691 660690440 /nfs/dbraw/zinc/69/04/40/660690440.db2.gz WCPWWLMGGFHRBM-ZDUSSCGKSA-N 1 0 308.422 3.046 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CC[C@@H]1CCCCO1 ZINC000706868378 660875430 /nfs/dbraw/zinc/87/54/30/660875430.db2.gz LHWOWRXRZFIQBC-NSHDSACASA-N 1 0 314.223 3.204 20 10 DGCDRO CC(C)OCCC[N@H+](C)Cc1c(O)cccc1Br ZINC000707159585 660890153 /nfs/dbraw/zinc/89/01/53/660890153.db2.gz JEHWHKAMPQUETG-UHFFFAOYSA-N 1 0 316.239 3.402 20 10 DGCDRO C[N@H+](CCOC(C)(C)C)Cc1c(O)cccc1Br ZINC000707131762 660889731 /nfs/dbraw/zinc/88/97/31/660889731.db2.gz JYWQOHDASYXWAC-UHFFFAOYSA-N 1 0 316.239 3.402 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1Br)C[C@H]1CCCCO1 ZINC000707147175 660893688 /nfs/dbraw/zinc/89/36/88/660893688.db2.gz VBNSVGQXTCJLAK-LLVKDONJSA-N 1 0 314.223 3.156 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)CC)c1cc(Br)ccc1O ZINC000087011736 660964051 /nfs/dbraw/zinc/96/40/51/660964051.db2.gz KUFFPFOGWGXKSY-OCCSQVGLSA-N 1 0 316.239 3.356 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000792936851 660995580 /nfs/dbraw/zinc/99/55/80/660995580.db2.gz WUDQWNYVLLEBDF-AWEZNQCLSA-N 1 0 316.367 3.430 20 10 DGCDRO C[C@@H](CC[NH+](C)C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000792948087 660996662 /nfs/dbraw/zinc/99/66/62/660996662.db2.gz WFDASIXHGVFPGE-LBPRGKRZSA-N 1 0 317.399 3.201 20 10 DGCDRO CC[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792993617 660999145 /nfs/dbraw/zinc/99/91/45/660999145.db2.gz YJULYFXJWOYDFL-LBPRGKRZSA-N 1 0 304.356 3.022 20 10 DGCDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793170203 661009590 /nfs/dbraw/zinc/00/95/90/661009590.db2.gz YWZZYKPWJNGQNO-QWRGUYRKSA-N 1 0 304.356 3.284 20 10 DGCDRO CCC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@H](O)c1ccccc1 ZINC000793241299 661016892 /nfs/dbraw/zinc/01/68/92/661016892.db2.gz ODEJTUIHBWTTLQ-SJLPKXTDSA-N 1 0 315.413 3.393 20 10 DGCDRO CCOc1cccc(C[NH2+]CC2(OC)CCC(C)CC2)c1O ZINC000793291441 661022165 /nfs/dbraw/zinc/02/21/65/661022165.db2.gz RNRYMEZLDYIHLB-UHFFFAOYSA-N 1 0 307.434 3.476 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCN1CC=CCC1 ZINC000793321090 661024231 /nfs/dbraw/zinc/02/42/31/661024231.db2.gz ZDMJCYZLGYDJFN-UHFFFAOYSA-N 1 0 308.425 3.411 20 10 DGCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000793347299 661025855 /nfs/dbraw/zinc/02/58/55/661025855.db2.gz RWXPPCUQACYHQJ-LSDHHAIUSA-N 1 0 306.425 3.188 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000793391414 661029485 /nfs/dbraw/zinc/02/94/85/661029485.db2.gz YFAFTVBVXCZLEG-GQCTYLIASA-N 1 0 314.341 3.112 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c(O)c1 ZINC000793391384 661029512 /nfs/dbraw/zinc/02/95/12/661029512.db2.gz XASZQZPYPRGTFH-OAHLLOKOSA-N 1 0 303.789 3.311 20 10 DGCDRO Cc1cccc(C[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1O ZINC000793619607 661050557 /nfs/dbraw/zinc/05/05/57/661050557.db2.gz IHSBLLBHGXEQGJ-LJQANCHMSA-N 1 0 310.441 3.059 20 10 DGCDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCSc1nccs1 ZINC000794800278 661105796 /nfs/dbraw/zinc/10/57/96/661105796.db2.gz BUZRXAJXJJXEIR-LBPRGKRZSA-N 1 0 308.476 3.026 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1O ZINC000794818593 661107170 /nfs/dbraw/zinc/10/71/70/661107170.db2.gz VRGOKIYMONDCNP-FUHWJXTLSA-N 1 0 317.404 3.484 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC(n3ccnc3)CC1)CCCC2 ZINC000160240217 655536416 /nfs/dbraw/zinc/53/64/16/655536416.db2.gz AIYKSZDXZLBAKC-UHFFFAOYSA-N 1 0 311.429 3.305 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](O)c2ccccc2)c1 ZINC000289538157 655631578 /nfs/dbraw/zinc/63/15/78/655631578.db2.gz WPMYQHOAVQNDJQ-GUYCJALGSA-N 1 0 301.386 3.175 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2CC=C(COC)CC2)cc1F ZINC000187615875 655636222 /nfs/dbraw/zinc/63/62/22/655636222.db2.gz ZFZPSBGQJVZGQM-UHFFFAOYSA-N 1 0 306.425 3.450 20 10 DGCDRO CNC(=O)C[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000795850652 661175800 /nfs/dbraw/zinc/17/58/00/661175800.db2.gz CBANYBKCKMZUKZ-WBMJQRKESA-N 1 0 316.376 3.059 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CC(=O)NC)c1ccccc1)c1ccccc1O ZINC000795849702 661175977 /nfs/dbraw/zinc/17/59/77/661175977.db2.gz QCSJXJNRQWSBJS-IRXDYDNUSA-N 1 0 312.413 3.310 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)ccc1N1CCOCC1 ZINC000092485613 655738627 /nfs/dbraw/zinc/73/86/27/655738627.db2.gz DLDFXIVSLVDDEZ-AEFFLSMTSA-N 1 0 318.436 3.427 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934392188 655773138 /nfs/dbraw/zinc/77/31/38/655773138.db2.gz UKRXLXAVMHSNPG-GOSISDBHSA-N 1 0 300.446 3.478 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000161256752 655775627 /nfs/dbraw/zinc/77/56/27/655775627.db2.gz MIIVAVRJNRRVQY-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000048040705 655776815 /nfs/dbraw/zinc/77/68/15/655776815.db2.gz IZQAZCQVILQIAA-UHFFFAOYSA-N 1 0 310.401 3.334 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(C)nc3)CC2)cc1 ZINC000161290416 655780136 /nfs/dbraw/zinc/78/01/36/655780136.db2.gz ZHIHDWYSSLPNCR-UHFFFAOYSA-N 1 0 311.429 3.157 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCCC2 ZINC000236899380 655807624 /nfs/dbraw/zinc/80/76/24/655807624.db2.gz OYUMKYPDAJTNEJ-QZTJIDSGSA-N 1 0 301.430 3.449 20 10 DGCDRO CCCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023805619 655867433 /nfs/dbraw/zinc/86/74/33/655867433.db2.gz ULAAJLQPMVEKRD-KRWDZBQOSA-N 1 0 318.461 3.132 20 10 DGCDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000328182209 656055937 /nfs/dbraw/zinc/05/59/37/656055937.db2.gz NPAOEOSPACUARE-VQIMIIECSA-N 1 0 302.462 3.318 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1O ZINC000716299085 661221718 /nfs/dbraw/zinc/22/17/18/661221718.db2.gz RDEWSKPDHMIXNR-IBGZPJMESA-N 1 0 310.441 3.319 20 10 DGCDRO COc1cc(C[N@@H+]2CCc3c(cccc3OC)C2)c(O)cc1C ZINC000181444403 656099179 /nfs/dbraw/zinc/09/91/79/656099179.db2.gz AAOMNARTHGABEN-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cc(OCC)ccc1O)C(C)C ZINC000185234855 656125009 /nfs/dbraw/zinc/12/50/09/656125009.db2.gz YRBFREPNAXTAGU-SFHVURJKSA-N 1 0 323.433 3.248 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000191585677 656170707 /nfs/dbraw/zinc/17/07/07/656170707.db2.gz HERLZNQUANFHEM-CZUORRHYSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1c[nH+]ccc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000191979295 656174142 /nfs/dbraw/zinc/17/41/42/656174142.db2.gz VRJUAYJPCMHPCV-UHFFFAOYSA-N 1 0 315.392 3.102 20 10 DGCDRO C1=CO[C@H](C[NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000194228913 656199295 /nfs/dbraw/zinc/19/92/95/656199295.db2.gz KQTXNAKMLPSSOJ-KRWDZBQOSA-N 1 0 304.459 3.022 20 10 DGCDRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000194559455 656226983 /nfs/dbraw/zinc/22/69/83/656226983.db2.gz MEWIYJHATMOZKR-CYBMUJFWSA-N 1 0 300.402 3.112 20 10 DGCDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093558730 656359752 /nfs/dbraw/zinc/35/97/52/656359752.db2.gz VKMFTQKGSTVTJS-OAHLLOKOSA-N 1 0 308.491 3.097 20 10 DGCDRO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc(C)c(C)cc2O)cc1 ZINC000125682886 656404547 /nfs/dbraw/zinc/40/45/47/656404547.db2.gz KSCOIDWTIJKDSD-UHFFFAOYSA-N 1 0 312.413 3.388 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000319775702 656676317 /nfs/dbraw/zinc/67/63/17/656676317.db2.gz LPBGPKHPOWEYLH-AWEZNQCLSA-N 1 0 318.461 3.388 20 10 DGCDRO CNC(=O)CC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000074371641 661286225 /nfs/dbraw/zinc/28/62/25/661286225.db2.gz OTJPTACTKXZCTG-UHFFFAOYSA-N 1 0 320.477 3.213 20 10 DGCDRO CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000248482316 657029298 /nfs/dbraw/zinc/02/92/98/657029298.db2.gz BZZKCVXWYFOUIL-CABCVRRESA-N 1 0 306.450 3.316 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000178775505 657047484 /nfs/dbraw/zinc/04/74/84/657047484.db2.gz LPRJSVRXGARMPO-HNNXBMFYSA-N 1 0 305.418 3.352 20 10 DGCDRO CCCN(Cc1nn(C)c2ccccc12)c1ccc(C[NH3+])cc1 ZINC000321257763 658120846 /nfs/dbraw/zinc/12/08/46/658120846.db2.gz PQYGATVFYYXTKG-UHFFFAOYSA-N 1 0 308.429 3.449 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H](C)[C@@H]3C)c2c1 ZINC000164144484 658919584 /nfs/dbraw/zinc/91/95/84/658919584.db2.gz UEPZTZFAPDKDGX-STQMWFEESA-N 1 0 301.386 3.163 20 10 DGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C12CCC2 ZINC000164512209 658936612 /nfs/dbraw/zinc/93/66/12/658936612.db2.gz CQSSEINRYDDPJN-DLBZAZTESA-N 1 0 319.445 3.489 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164483755 658936677 /nfs/dbraw/zinc/93/66/77/658936677.db2.gz RNLYBIHLQPNMAF-IBGZPJMESA-N 1 0 319.445 3.311 20 10 DGCDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000158009809 659132439 /nfs/dbraw/zinc/13/24/39/659132439.db2.gz DHHDRCNAFXYNKV-HUUCEWRRSA-N 1 0 306.425 3.140 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]CCOc1ccccc1 ZINC000227434576 659154979 /nfs/dbraw/zinc/15/49/79/659154979.db2.gz RBNOIXABBHKJIW-UHFFFAOYSA-N 1 0 322.202 3.323 20 10 DGCDRO CN(CC[NH2+]Cc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000227760432 659163724 /nfs/dbraw/zinc/16/37/24/659163724.db2.gz RDMHIBCYKKCMMY-UHFFFAOYSA-N 1 0 314.813 3.002 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2Cc3ccccc32)c1O ZINC000228673388 659202155 /nfs/dbraw/zinc/20/21/55/659202155.db2.gz GIJZTJDZPUWVND-GFCCVEGCSA-N 1 0 303.789 3.484 20 10 DGCDRO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1ccccc1O ZINC000171937044 659307365 /nfs/dbraw/zinc/30/73/65/659307365.db2.gz DVOWYCLTICWYSH-NSHDSACASA-N 1 0 320.339 3.129 20 10 DGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173466595 659387505 /nfs/dbraw/zinc/38/75/05/659387505.db2.gz RILMSRNNTAAPBH-MRXNPFEDSA-N 1 0 320.477 3.311 20 10 DGCDRO C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000179575482 659933149 /nfs/dbraw/zinc/93/31/49/659933149.db2.gz LEJLTWJKCRMSNU-INIZCTEOSA-N 1 0 318.461 3.481 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000179704341 659939143 /nfs/dbraw/zinc/93/91/43/659939143.db2.gz SAYMWFRRMTVFES-HNNXBMFYSA-N 1 0 320.433 3.190 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccccc1O ZINC000179875905 659944814 /nfs/dbraw/zinc/94/48/14/659944814.db2.gz UPVRHBPJCOKQQU-LLVKDONJSA-N 1 0 304.777 3.335 20 10 DGCDRO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1O ZINC000179882355 659945423 /nfs/dbraw/zinc/94/54/23/659945423.db2.gz PEJFQFDLUIQDAA-UHFFFAOYSA-N 1 0 320.339 3.131 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000180194605 659954961 /nfs/dbraw/zinc/95/49/61/659954961.db2.gz PALFOLYLOJBKEL-IBGZPJMESA-N 1 0 313.372 3.205 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1 ZINC000180192710 659955035 /nfs/dbraw/zinc/95/50/35/659955035.db2.gz JFVDWNVAETVTAZ-CYBMUJFWSA-N 1 0 301.386 3.169 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1O ZINC000180414804 659962309 /nfs/dbraw/zinc/96/23/09/659962309.db2.gz DUPKABWPEOWUFU-HXUWFJFHSA-N 1 0 309.409 3.375 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1 ZINC000068973685 659970821 /nfs/dbraw/zinc/97/08/21/659970821.db2.gz TVIBVNHXQOFWAS-GOSISDBHSA-N 1 0 303.377 3.477 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000181063619 659978310 /nfs/dbraw/zinc/97/83/10/659978310.db2.gz TWKLSUQHWPOYKN-OWQGQXMQSA-N 1 0 306.425 3.380 20 10 DGCDRO C[NH+]1CCN(CCCSc2ncc(C(C)(C)C)s2)CC1 ZINC000181323032 659994123 /nfs/dbraw/zinc/99/41/23/659994123.db2.gz JZXCILOSGNBFLG-UHFFFAOYSA-N 1 0 313.536 3.170 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]CCCSc2nccs2)C1(C)C ZINC000181773834 660019214 /nfs/dbraw/zinc/01/92/14/660019214.db2.gz DVLHPUWNNIACEI-RYUDHWBXSA-N 1 0 300.493 3.419 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN(C)c2ccccc2)c1 ZINC000182394191 660049990 /nfs/dbraw/zinc/04/99/90/660049990.db2.gz QEDBKIMXRVLLHT-CQSZACIVSA-N 1 0 300.402 3.188 20 10 DGCDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)s1 ZINC000182436214 660052949 /nfs/dbraw/zinc/05/29/49/660052949.db2.gz VRIDIGAFHMUUSZ-JTQLQIEISA-N 1 0 321.398 3.100 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)C[C@H](C)c2nccs2)c1O ZINC000182851333 660085385 /nfs/dbraw/zinc/08/53/85/660085385.db2.gz JJFNECAYMJOHEP-LBPRGKRZSA-N 1 0 306.431 3.401 20 10 DGCDRO Oc1ccc(F)cc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000183251912 660106406 /nfs/dbraw/zinc/10/64/06/660106406.db2.gz DXQWVOKYWKMGPK-UHFFFAOYSA-N 1 0 314.404 3.239 20 10 DGCDRO C[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccccc1O ZINC000183398113 660109599 /nfs/dbraw/zinc/10/95/99/660109599.db2.gz HFMABUYUEJNGDS-INIZCTEOSA-N 1 0 310.441 3.491 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000183633815 660128069 /nfs/dbraw/zinc/12/80/69/660128069.db2.gz JJXAZJNFMUQFJJ-SWLSCSKDSA-N 1 0 320.433 3.346 20 10 DGCDRO CCOCCOCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000929634252 661322891 /nfs/dbraw/zinc/32/28/91/661322891.db2.gz BVZZYZJLUSISLX-UHFFFAOYSA-N 1 0 307.434 3.190 20 10 DGCDRO Cc1cccc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000155916959 661855133 /nfs/dbraw/zinc/85/51/33/661855133.db2.gz CBFCYPWVBSVBOA-UHFFFAOYSA-N 1 0 310.441 3.164 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCc3ccco3)CC2)cc1 ZINC000155968707 661855879 /nfs/dbraw/zinc/85/58/79/661855879.db2.gz DBZHYNOMJWFCQE-UHFFFAOYSA-N 1 0 300.402 3.089 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000155974640 661856149 /nfs/dbraw/zinc/85/61/49/661856149.db2.gz RJGSHCGGFZWILU-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(C)cn3)CC2)cc1 ZINC000156267852 661861436 /nfs/dbraw/zinc/86/14/36/661861436.db2.gz MNLASQKBOMJVOP-UHFFFAOYSA-N 1 0 311.429 3.111 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(O)c1 ZINC000156841799 661865286 /nfs/dbraw/zinc/86/52/86/661865286.db2.gz VEJMKQJDOREIHX-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO CCOC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000159466304 661888770 /nfs/dbraw/zinc/88/87/70/661888770.db2.gz DTYRIRLLSPHHOH-UHFFFAOYSA-N 1 0 317.429 3.046 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc(OC)c1O ZINC000187995691 661911465 /nfs/dbraw/zinc/91/14/65/661911465.db2.gz OEYGMXKIRCIXNS-QGZVFWFLSA-N 1 0 315.413 3.090 20 10 DGCDRO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccccc1O ZINC000188033016 661911675 /nfs/dbraw/zinc/91/16/75/661911675.db2.gz WXWLNCYVUYFAQU-CQSZACIVSA-N 1 0 300.377 3.242 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000076275558 661976493 /nfs/dbraw/zinc/97/64/93/661976493.db2.gz KAEUMCOGVFHOLE-MRXNPFEDSA-N 1 0 310.441 3.499 20 10 DGCDRO CCN(CC)C(=O)C1([NH2+]Cc2ccccc2O)CCCCC1 ZINC000076868638 662003415 /nfs/dbraw/zinc/00/34/15/662003415.db2.gz NHMADXKTAJSARN-UHFFFAOYSA-N 1 0 304.434 3.053 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCSC[C@H](C)C2)c1O ZINC000190426701 662032417 /nfs/dbraw/zinc/03/24/17/662032417.db2.gz YQGGURCPEMMYRD-SNVBAGLBSA-N 1 0 313.850 3.433 20 10 DGCDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000191957160 662084405 /nfs/dbraw/zinc/08/44/05/662084405.db2.gz UMNQZWLNBOUHBB-LJQANCHMSA-N 1 0 302.462 3.414 20 10 DGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)NC(=O)OC(C)(C)C ZINC000192685243 662108412 /nfs/dbraw/zinc/10/84/12/662108412.db2.gz AGSLPRGKWNAAQV-JTQLQIEISA-N 1 0 314.813 3.048 20 10 DGCDRO CCC(CC)[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)N(C)C ZINC000192953334 662117282 /nfs/dbraw/zinc/11/72/82/662117282.db2.gz KVEUZDATKZKMMH-DYVFJYSZSA-N 1 0 308.466 3.418 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cnc(-c3ccco3)s2)c1 ZINC000193104971 662123095 /nfs/dbraw/zinc/12/30/95/662123095.db2.gz KZMUTIRAYVCTHJ-UHFFFAOYSA-N 1 0 316.382 3.407 20 10 DGCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC=CO1 ZINC000193605422 662141848 /nfs/dbraw/zinc/14/18/48/662141848.db2.gz AENZKKSRNXWOJH-DLBZAZTESA-N 1 0 303.402 3.066 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246371662 662255657 /nfs/dbraw/zinc/25/56/57/662255657.db2.gz OBEOGCUBYCVCNB-QFBILLFUSA-N 1 0 314.473 3.458 20 10 DGCDRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090726637 662272889 /nfs/dbraw/zinc/27/28/89/662272889.db2.gz MXJJVQYMFMZDIS-OLZOCXBDSA-N 1 0 312.454 3.064 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C[C@H]1n1ccnc1 ZINC000246838519 662285845 /nfs/dbraw/zinc/28/58/45/662285845.db2.gz ZRJPDYFRFXXKFM-RDTXWAMCSA-N 1 0 311.429 3.161 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCOC[C@H]2CCOC2)cc1 ZINC000247947609 662330614 /nfs/dbraw/zinc/33/06/14/662330614.db2.gz DRCSLCSGLHDJCZ-IAGOWNOFSA-N 1 0 320.477 3.237 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC[C@H]2C2CCC2)ccc1N1CCOCC1 ZINC000092781005 662335588 /nfs/dbraw/zinc/33/55/88/662335588.db2.gz LLVZQNUGSOHNGJ-SFHVURJKSA-N 1 0 318.436 3.427 20 10 DGCDRO CN(C)c1ccc(CN2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000092975471 662342455 /nfs/dbraw/zinc/34/24/55/662342455.db2.gz WJFXPQYKYIQVOE-IBGZPJMESA-N 1 0 314.404 3.465 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)c1 ZINC000248519047 662351294 /nfs/dbraw/zinc/35/12/94/662351294.db2.gz QHJRZWMKNJTLHB-NJSLBKSFSA-N 1 0 315.413 3.044 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000248520248 662351364 /nfs/dbraw/zinc/35/13/64/662351364.db2.gz QWBGWQBSOZDKOI-QANKJYHBSA-N 1 0 303.446 3.473 20 10 DGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000248636031 662355723 /nfs/dbraw/zinc/35/57/23/662355723.db2.gz KTVUUBHJJVDKQJ-HOCLYGCPSA-N 1 0 319.449 3.024 20 10 DGCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093813495 662359952 /nfs/dbraw/zinc/35/99/52/662359952.db2.gz GZFUSLSNYUKHGW-LJQANCHMSA-N 1 0 316.445 3.062 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)CCCOC(C)C)c1O ZINC000382774025 685164296 /nfs/dbraw/zinc/16/42/96/685164296.db2.gz BJJRZHBKXLJBID-UHFFFAOYSA-N 1 0 301.814 3.301 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCn2cc(Br)cn2)c(O)c1 ZINC000382464426 685164430 /nfs/dbraw/zinc/16/44/30/685164430.db2.gz ZHSILMWKCUSJAN-NSHDSACASA-N 1 0 324.222 3.010 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCCCC[NH3+] ZINC000386254848 685177441 /nfs/dbraw/zinc/17/74/41/685177441.db2.gz WRICIPVWFYFZKU-UHFFFAOYSA-N 1 0 305.466 3.010 20 10 DGCDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000389153258 685192508 /nfs/dbraw/zinc/19/25/08/685192508.db2.gz VOAGJFGJLSFEHR-QGZVFWFLSA-N 1 0 302.462 3.439 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Br)ccc1O ZINC000393969225 685220419 /nfs/dbraw/zinc/22/04/19/685220419.db2.gz WXLHKLHKNSCJGP-JOYOIKCWSA-N 1 0 316.239 3.355 20 10 DGCDRO CC[N@@H+](Cc1cc(C(C)C)ccc1O)C[C@H](O)C(F)(F)F ZINC001659540732 1196393453 /nfs/dbraw/zinc/39/34/53/1196393453.db2.gz IZKJNJDUPVNROU-AWEZNQCLSA-N 1 0 305.340 3.261 20 10 DGCDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001577397050 1191897828 /nfs/dbraw/zinc/89/78/28/1191897828.db2.gz LAOFIAAKEDXDCA-QGZVFWFLSA-N 1 0 313.445 3.341 20 10 DGCDRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC001579370394 1191974637 /nfs/dbraw/zinc/97/46/37/1191974637.db2.gz QWCLZAFMKXYESQ-OIISXLGYSA-N 1 0 307.507 3.016 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)Nc2ncccc2C[NH3+])cc1 ZINC001579673929 1191985453 /nfs/dbraw/zinc/98/54/53/1191985453.db2.gz IJOOHMXYHSFDFJ-UHFFFAOYSA-N 1 0 320.396 3.200 20 10 DGCDRO Cc1ccccc1-n1cc(C[NH2+]CCc2ccc(N)cc2)cn1 ZINC001579785208 1191993488 /nfs/dbraw/zinc/99/34/88/1191993488.db2.gz DJEJPZDQBDUSHU-UHFFFAOYSA-N 1 0 306.413 3.095 20 10 DGCDRO Cc1ccccc1[C@H]([NH3+])C(=O)NCc1c(O)ccc2ccccc21 ZINC001579793670 1191994230 /nfs/dbraw/zinc/99/42/30/1191994230.db2.gz LAORLHPJPQLPOP-IBGZPJMESA-N 1 0 320.392 3.170 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001580885883 1192043861 /nfs/dbraw/zinc/04/38/61/1192043861.db2.gz QLBNPLRKUAVMOH-UHFFFAOYSA-N 1 0 320.795 3.120 20 10 DGCDRO Cc1ccc(NCC[NH2+]Cc2c(O)cc(C)cc2Cl)nc1 ZINC001663334067 1196836995 /nfs/dbraw/zinc/83/69/95/1196836995.db2.gz SGEKKNKLNBCYRV-UHFFFAOYSA-N 1 0 305.809 3.259 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)CCC(C)(C)C)cc1F ZINC001620914370 1192594422 /nfs/dbraw/zinc/59/44/22/1192594422.db2.gz QQNDZIZQDDIJGC-CYBMUJFWSA-N 1 0 314.420 3.308 20 10 DGCDRO CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001620945967 1192641269 /nfs/dbraw/zinc/64/12/69/1192641269.db2.gz BKOOYDIUNUMLPV-KRWDZBQOSA-N 1 0 321.484 3.492 20 10 DGCDRO OCCC1([NH2+]Cc2ccc(N3CCCC3)cc2)CCCCC1 ZINC001331074888 1178128582 /nfs/dbraw/zinc/12/85/82/1178128582.db2.gz JPUWJTKYQOVCOX-UHFFFAOYSA-N 1 0 302.462 3.462 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCc2cccc(F)c2F)c1O ZINC001331992491 1178331164 /nfs/dbraw/zinc/33/11/64/1178331164.db2.gz AOXJUULZRQJIRW-UHFFFAOYSA-N 1 0 307.340 3.320 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC[C@H]1CCOC1=O ZINC001332276934 1178411166 /nfs/dbraw/zinc/41/11/66/1178411166.db2.gz LAFBRSBDCOSMFN-HZSPNIEDSA-N 1 0 303.402 3.182 20 10 DGCDRO CCCCC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001333035936 1178543735 /nfs/dbraw/zinc/54/37/35/1178543735.db2.gz OQPBTFCVJMDFST-UHFFFAOYSA-N 1 0 318.461 3.273 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2ccc(OC)nc2)cc1 ZINC001334937489 1178831376 /nfs/dbraw/zinc/83/13/76/1178831376.db2.gz SFGBMRCIPBVFEL-HNNXBMFYSA-N 1 0 313.445 3.440 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC001335133038 1178857847 /nfs/dbraw/zinc/85/78/47/1178857847.db2.gz BYRPPJHXNZRFBP-CTYIDZIISA-N 1 0 320.433 3.094 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cnc(C)s2)c(O)c1OC ZINC001335549881 1178929582 /nfs/dbraw/zinc/92/95/82/1178929582.db2.gz HCZJGPDWEFTCDB-SECBINFHSA-N 1 0 308.403 3.025 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC001336077225 1178990366 /nfs/dbraw/zinc/99/03/66/1178990366.db2.gz HZMQZVOXDMFSHC-NXOXCILZSA-N 1 0 308.425 3.463 20 10 DGCDRO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001342076103 1179100012 /nfs/dbraw/zinc/10/00/12/1179100012.db2.gz AMLLHZLTTDVGSP-GOSISDBHSA-N 1 0 316.445 3.204 20 10 DGCDRO CN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccc(N)cc1 ZINC001342237821 1179121620 /nfs/dbraw/zinc/12/16/20/1179121620.db2.gz CCXYITKRQQKXOZ-UHFFFAOYSA-N 1 0 313.401 3.124 20 10 DGCDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC001342931463 1179211753 /nfs/dbraw/zinc/21/17/53/1179211753.db2.gz JZNFFGLJQLITLP-QGZVFWFLSA-N 1 0 320.477 3.064 20 10 DGCDRO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343027123 1179225623 /nfs/dbraw/zinc/22/56/23/1179225623.db2.gz LEUFFVALZCSIRI-HNNXBMFYSA-N 1 0 317.477 3.022 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)N2CCC[C@H](C)C2)c(O)c1 ZINC001343914572 1179349147 /nfs/dbraw/zinc/34/91/47/1179349147.db2.gz BLJGNHDPTAJGLS-XJKSGUPXSA-N 1 0 318.461 3.308 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001344439552 1179434623 /nfs/dbraw/zinc/43/46/23/1179434623.db2.gz WKVJHZFYGMYAEJ-DUVWHUSGSA-N 1 0 300.446 3.267 20 10 DGCDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(N)cc1)c1ccccc1 ZINC001345159282 1179535675 /nfs/dbraw/zinc/53/56/75/1179535675.db2.gz FCOCRXCDRMUYKR-GOSISDBHSA-N 1 0 312.413 3.441 20 10 DGCDRO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001345159264 1179535723 /nfs/dbraw/zinc/53/57/23/1179535723.db2.gz DNYNICKQAYVKBF-GOSISDBHSA-N 1 0 306.413 3.493 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C2(CCC2)CO1 ZINC001346165576 1179664944 /nfs/dbraw/zinc/66/49/44/1179664944.db2.gz KCVZTWGYUXEGHW-INIZCTEOSA-N 1 0 300.446 3.430 20 10 DGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347236130 1179785969 /nfs/dbraw/zinc/78/59/69/1179785969.db2.gz WNBMRQJNGFUVKJ-DOTOQJQBSA-N 1 0 319.468 3.340 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCC(=O)N2CCC[C@@H](C)C2)cc1Cl ZINC001347390914 1179802426 /nfs/dbraw/zinc/80/24/26/1179802426.db2.gz HQDGHETXAXKAQZ-GFCCVEGCSA-N 1 0 324.852 3.092 20 10 DGCDRO O[C@@H](CC[NH2+]Cc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC001351784471 1180248389 /nfs/dbraw/zinc/24/83/89/1180248389.db2.gz XAKFRKZVNXKBBW-IBGZPJMESA-N 1 0 302.462 3.318 20 10 DGCDRO CC[C@@](O)(C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC001352739371 1180390195 /nfs/dbraw/zinc/39/01/95/1180390195.db2.gz DJBLZDAEECWOKH-SMDDNHRTSA-N 1 0 304.356 3.107 20 10 DGCDRO COc1ccccc1OCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001200174710 1180425578 /nfs/dbraw/zinc/42/55/78/1180425578.db2.gz YJPOVGNHFNQWKJ-UHFFFAOYSA-N 1 0 313.397 3.189 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2COc3ccccc3C2)c(Cl)c1 ZINC001200334664 1180555547 /nfs/dbraw/zinc/55/55/47/1180555547.db2.gz VQGQGZYMDXZWEK-CYBMUJFWSA-N 1 0 303.789 3.447 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c(O)c1OC ZINC001355321786 1181035323 /nfs/dbraw/zinc/03/53/23/1181035323.db2.gz SOTKNTCHENWCIH-MEDUHNTESA-N 1 0 315.369 3.021 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC001459354816 1182581440 /nfs/dbraw/zinc/58/14/40/1182581440.db2.gz WXTJOFFMVFBWLA-APWZRJJASA-N 1 0 302.462 3.268 20 10 DGCDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C ZINC001459872898 1182625250 /nfs/dbraw/zinc/62/52/50/1182625250.db2.gz IJZZIMXNXGNTCS-VXGBXAGGSA-N 1 0 324.852 3.163 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)cc1C ZINC001460312139 1182675990 /nfs/dbraw/zinc/67/59/90/1182675990.db2.gz FFWCDBAEVGRIKR-INIZCTEOSA-N 1 0 307.434 3.460 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCCOC2CCCC2)cc1F ZINC001461121706 1182770321 /nfs/dbraw/zinc/77/03/21/1182770321.db2.gz PXCPBBQEIQTFFV-UHFFFAOYSA-N 1 0 312.404 3.470 20 10 DGCDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461368393 1182800564 /nfs/dbraw/zinc/80/05/64/1182800564.db2.gz RMUDSZWWTRKDQW-HNNXBMFYSA-N 1 0 307.457 3.102 20 10 DGCDRO CCOCc1cc(C[NH2+]CCN2CCC(C)(C)C2)ccc1OC ZINC001461809361 1182858597 /nfs/dbraw/zinc/85/85/97/1182858597.db2.gz ASOWPBJBUKHKOH-UHFFFAOYSA-N 1 0 320.477 3.053 20 10 DGCDRO COc1cc(C)c(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c(O)c1 ZINC001462252389 1182928769 /nfs/dbraw/zinc/92/87/69/1182928769.db2.gz VGNKDRVEIKTTEE-SJORKVTESA-N 1 0 305.418 3.099 20 10 DGCDRO CO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001462251946 1182928858 /nfs/dbraw/zinc/92/88/58/1182928858.db2.gz ANFIAJULEGGNKH-IRXDYDNUSA-N 1 0 324.415 3.420 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC001462303985 1182936248 /nfs/dbraw/zinc/93/62/48/1182936248.db2.gz CUCPBMZYDRRAFO-SJORKVTESA-N 1 0 305.418 3.099 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(O)c1 ZINC001462303615 1182936689 /nfs/dbraw/zinc/93/66/89/1182936689.db2.gz HKZDPVNCOLMECU-GOSISDBHSA-N 1 0 308.425 3.338 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC001462377206 1182943473 /nfs/dbraw/zinc/94/34/73/1182943473.db2.gz PXFTWUJTXLBPPA-PHWHVTFISA-N 1 0 300.446 3.267 20 10 DGCDRO COC(=O)[C@]12C[N@H+](Cc3ccc(Cl)cc3O)C[C@H]1CCCC2 ZINC001462381384 1182944567 /nfs/dbraw/zinc/94/45/67/1182944567.db2.gz BATNJGAACFKCGQ-CXAGYDPISA-N 1 0 323.820 3.211 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@H](OC)C3CCCC3)C2)cc1 ZINC001462421841 1182950561 /nfs/dbraw/zinc/95/05/61/1182950561.db2.gz RPFVFUQMOKCRQP-LPHOPBHVSA-N 1 0 318.461 3.069 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(C3(O)CCC3)CCC2)cc1 ZINC001462581500 1182971348 /nfs/dbraw/zinc/97/13/48/1182971348.db2.gz PGIUHQKBINKMJY-UTCJRWHESA-N 1 0 314.473 3.441 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c(O)c1OC ZINC001462633779 1182977074 /nfs/dbraw/zinc/97/70/74/1182977074.db2.gz JQJZWNYSTUGJTF-HNNXBMFYSA-N 1 0 317.360 3.496 20 10 DGCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001473132814 1183719866 /nfs/dbraw/zinc/71/98/66/1183719866.db2.gz IGUWYBQTWCXWDZ-UHFFFAOYSA-N 1 0 318.461 3.370 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1O ZINC001473724143 1183793422 /nfs/dbraw/zinc/79/34/22/1183793422.db2.gz QBONXJHFBSPYMK-RYUDHWBXSA-N 1 0 309.369 3.453 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CC3(CCC3)CO2)cc1 ZINC001474270674 1183893007 /nfs/dbraw/zinc/89/30/07/1183893007.db2.gz LERJRBNUBYRCKH-YWPBOTNQSA-N 1 0 300.446 3.315 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001474379231 1183913654 /nfs/dbraw/zinc/91/36/54/1183913654.db2.gz RSJVGPPPJPJOSP-GFCCVEGCSA-N 1 0 303.793 3.215 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001474506521 1183932993 /nfs/dbraw/zinc/93/29/93/1183932993.db2.gz CWVMRLFMZNDAFG-SNAWJCMRSA-N 1 0 324.424 3.342 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC(c3c[nH]nc3C)CC2)c(O)c1 ZINC001474522270 1183935171 /nfs/dbraw/zinc/93/51/71/1183935171.db2.gz KNXBZAYCUHUUEO-UHFFFAOYSA-N 1 0 315.417 3.120 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC001474541175 1183936921 /nfs/dbraw/zinc/93/69/21/1183936921.db2.gz JYSXVOHLINQHLC-QGZVFWFLSA-N 1 0 303.377 3.478 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1F ZINC001474611733 1183950222 /nfs/dbraw/zinc/95/02/22/1183950222.db2.gz PXAWDZTTZRMBIG-MGPLVRAMSA-N 1 0 309.768 3.396 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(O)c1 ZINC001474631083 1183952473 /nfs/dbraw/zinc/95/24/73/1183952473.db2.gz WTJPEHKDOUNBID-BEFAXECRSA-N 1 0 319.445 3.490 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1O ZINC001474646704 1183954446 /nfs/dbraw/zinc/95/44/46/1183954446.db2.gz GXJRFZXUFBHQEA-NVXWUHKLSA-N 1 0 320.477 3.261 20 10 DGCDRO Cc1nc([C@@H]2CC[N@@H+](Cc3cc(C(C)C)ccc3O)C2)no1 ZINC001474706898 1183965742 /nfs/dbraw/zinc/96/57/42/1183965742.db2.gz MIJVIRNKPVFWSW-CQSZACIVSA-N 1 0 301.390 3.197 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1Cl ZINC001474711330 1183966992 /nfs/dbraw/zinc/96/69/92/1183966992.db2.gz WIHBTHZDCSZIEE-HNNXBMFYSA-N 1 0 323.795 3.186 20 10 DGCDRO C[C@@H]1CC[C@@](CO)([NH2+]Cc2cc(F)ccc2O)c2ccccc21 ZINC001474757748 1183973996 /nfs/dbraw/zinc/97/39/96/1183973996.db2.gz ZGEULSRFLJPTMP-YJYMSZOUSA-N 1 0 315.388 3.406 20 10 DGCDRO CCCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001505561326 1186104298 /nfs/dbraw/zinc/10/42/98/1186104298.db2.gz KMZRAPPGTMGDSX-HUUCEWRRSA-N 1 0 306.450 3.177 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCC[C@@H](C)C1 ZINC001560265708 1189302108 /nfs/dbraw/zinc/30/21/08/1189302108.db2.gz BDNWLVFDYKMIML-CABCVRRESA-N 1 0 307.457 3.102 20 10 DGCDRO CN(C)c1ccc(/C=C/CNc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC001560310123 1189309273 /nfs/dbraw/zinc/30/92/73/1189309273.db2.gz JZWVNTHDUANGHE-ONEGZZNKSA-N 1 0 319.412 3.459 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(N(C)C)CCSC2)cc1 ZINC001560363968 1189318265 /nfs/dbraw/zinc/31/82/65/1189318265.db2.gz NKJPSPQRNCNBJG-SFHVURJKSA-N 1 0 321.534 3.060 20 10 DGCDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001560397677 1189322557 /nfs/dbraw/zinc/32/25/57/1189322557.db2.gz IJVJEWQHXLGIMX-HKUYNNGSSA-N 1 0 301.478 3.107 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@H](O)C2CCCC2)cc1F ZINC001560565278 1189342259 /nfs/dbraw/zinc/34/22/59/1189342259.db2.gz YNUKQQJDSVGLNI-QGZVFWFLSA-N 1 0 312.404 3.062 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@H](O)C2CCCC2)cc1F ZINC001560565277 1189342716 /nfs/dbraw/zinc/34/27/16/1189342716.db2.gz YNUKQQJDSVGLNI-KRWDZBQOSA-N 1 0 312.404 3.062 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccnc(-c3ccccn3)n2)cc1C ZINC001560571685 1189343358 /nfs/dbraw/zinc/34/33/58/1189343358.db2.gz CZDGTNXGBQSAJM-UHFFFAOYSA-N 1 0 320.396 3.145 20 10 DGCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Br)CCCCO1 ZINC001560606369 1189347150 /nfs/dbraw/zinc/34/71/50/1189347150.db2.gz PVLSKVDEADZXNO-CQSZACIVSA-N 1 0 314.223 3.204 20 10 DGCDRO C[S@](=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001560611272 1189347975 /nfs/dbraw/zinc/34/79/75/1189347975.db2.gz SNBKSUQURJCFSD-CECAUBDESA-N 1 0 320.502 3.066 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)c[nH]c2=O)cc1F ZINC001560611464 1189348142 /nfs/dbraw/zinc/34/81/42/1189348142.db2.gz YXCXJSDANCPCEF-UHFFFAOYSA-N 1 0 317.408 3.371 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC001560665218 1189356468 /nfs/dbraw/zinc/35/64/68/1189356468.db2.gz QOWMNVDWPHTVLH-ZDUSSCGKSA-N 1 0 323.742 3.181 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H]2CCOc3c(F)cccc32)c(O)c1 ZINC001560768390 1189377809 /nfs/dbraw/zinc/37/78/09/1189377809.db2.gz YXQCBERLSORFGN-MRXNPFEDSA-N 1 0 317.360 3.462 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c(O)c1 ZINC001560794206 1189383215 /nfs/dbraw/zinc/38/32/15/1189383215.db2.gz MSEGMAWCFQOIOR-HNNXBMFYSA-N 1 0 313.397 3.062 20 10 DGCDRO Cn1cc([C@@H]2C[C@H]2C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001560816012 1189387332 /nfs/dbraw/zinc/38/73/32/1189387332.db2.gz ZMZUOTLBCVENOM-FXAWDEMLSA-N 1 0 324.472 3.256 20 10 DGCDRO CCC[N@H+](CCN1CCCC1)Cc1ccc(N(C)C)cc1C ZINC001560823494 1189388085 /nfs/dbraw/zinc/38/80/85/1189388085.db2.gz ILLWRGJJHVPOTA-UHFFFAOYSA-N 1 0 303.494 3.369 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC001560832395 1189390743 /nfs/dbraw/zinc/39/07/43/1189390743.db2.gz ZYDWKJHHHDLHEM-MSOLQXFVSA-N 1 0 318.461 3.273 20 10 DGCDRO COC(=O)/C=C/c1ccc(C[NH2+][C@H](C)c2ccccc2O)o1 ZINC001560971481 1189412235 /nfs/dbraw/zinc/41/22/35/1189412235.db2.gz GRRJMBRWORUZJH-BZYZDCJZSA-N 1 0 301.342 3.022 20 10 DGCDRO COC(=O)C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)(C)C ZINC001561024448 1189422328 /nfs/dbraw/zinc/42/23/28/1189422328.db2.gz UBLLASPKVUEPDQ-MRXNPFEDSA-N 1 0 305.418 3.079 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCC23CC3)N(C)C)cc1 ZINC001561040677 1189425581 /nfs/dbraw/zinc/42/55/81/1189425581.db2.gz XDZVGVPBTZCGJB-ZWKOTPCHSA-N 1 0 301.478 3.278 20 10 DGCDRO CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001568679226 1190577365 /nfs/dbraw/zinc/57/73/65/1190577365.db2.gz IUBWVUFBIXKUMG-DJIMGWMZSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)CC(C)C)C2CC2)cc1C ZINC001569293136 1190660724 /nfs/dbraw/zinc/66/07/24/1190660724.db2.gz UULBIRLMHUYEDG-KRWDZBQOSA-N 1 0 318.461 3.034 20 10 DGCDRO CC(=O)Oc1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC001575031270 1191463411 /nfs/dbraw/zinc/46/34/11/1191463411.db2.gz RWWWESRPIMXJIK-UHFFFAOYSA-N 1 0 310.397 3.023 20 10 DGCDRO CC(C)Oc1ccnc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC001575813441 1191509601 /nfs/dbraw/zinc/50/96/01/1191509601.db2.gz DMSOVFOPBIUVHL-UHFFFAOYSA-N 1 0 311.429 3.280 20 10 DGCDRO COc1ccccc1OCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001620693371 1193792016 /nfs/dbraw/zinc/79/20/16/1193792016.db2.gz AUFLFNKCLJFOGN-UHFFFAOYSA-N 1 0 318.392 3.069 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2ccc(C)nc2)ccc1OC ZINC001620725776 1193795457 /nfs/dbraw/zinc/79/54/57/1193795457.db2.gz BPALNUSRABBIDF-UHFFFAOYSA-N 1 0 300.402 3.225 20 10 DGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001621174434 1193811723 /nfs/dbraw/zinc/81/17/23/1193811723.db2.gz ZLLZYJXXEVVQJN-AWEZNQCLSA-N 1 0 324.852 3.174 20 10 DGCDRO COc1c([O-])c(C[N@H+](C)[C@@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001621323383 1193830175 /nfs/dbraw/zinc/83/01/75/1193830175.db2.gz CCVQKDYAMRMRBF-DGCLKSJQSA-N 1 0 308.378 3.320 20 10 DGCDRO COC(=O)/C=C/c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC001621420476 1193841333 /nfs/dbraw/zinc/84/13/33/1193841333.db2.gz QGIQCMMPSAWCTE-FNORWQNLSA-N 1 0 321.760 3.115 20 10 DGCDRO COC(=O)/C=C\c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC001621420475 1193841526 /nfs/dbraw/zinc/84/15/26/1193841526.db2.gz QGIQCMMPSAWCTE-ALCCZGGFSA-N 1 0 321.760 3.115 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC001621446228 1193843791 /nfs/dbraw/zinc/84/37/91/1193843791.db2.gz MPDWZJJXTVWMOY-UHFFFAOYSA-N 1 0 313.313 3.040 20 10 DGCDRO C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001621458090 1193845298 /nfs/dbraw/zinc/84/52/98/1193845298.db2.gz WXKDPIWBAGMBSJ-DOMZBBRYSA-N 1 0 312.404 3.223 20 10 DGCDRO Cc1cc(C[N@@H+]2CCN(C)[C@H](C)C2)ccc1N1CCCCC1 ZINC001642589574 1194921258 /nfs/dbraw/zinc/92/12/58/1194921258.db2.gz PJBJXOZYMOYGLU-QGZVFWFLSA-N 1 0 301.478 3.121 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1O ZINC001648054205 1195273987 /nfs/dbraw/zinc/27/39/87/1195273987.db2.gz QBONXJHFBSPYMK-VXGBXAGGSA-N 1 0 309.369 3.453 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1C ZINC001650757730 1195379500 /nfs/dbraw/zinc/37/95/00/1195379500.db2.gz ABKWKCHXJODNOY-NVXWUHKLSA-N 1 0 302.462 3.499 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H](O)Cc1ccccc1 ZINC001650806862 1195384228 /nfs/dbraw/zinc/38/42/28/1195384228.db2.gz AQHIWOWUFSPNLE-UTKZUKDTSA-N 1 0 324.468 3.369 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C(=O)OC(C)(C)C ZINC001651592169 1195484250 /nfs/dbraw/zinc/48/42/50/1195484250.db2.gz QTCTVXDDUPKBQT-HNNXBMFYSA-N 1 0 319.445 3.469 20 10 DGCDRO C[C@H]1CC[C@@](CO)([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC001651685035 1195496814 /nfs/dbraw/zinc/49/68/14/1195496814.db2.gz SYVKSAAPKZUASP-BTYIYWSLSA-N 1 0 323.436 3.496 20 10 DGCDRO CCCOc1ccc(C[NH2+]C2(CC(=O)OC)CCC2)cc1C ZINC001652025478 1195537930 /nfs/dbraw/zinc/53/79/30/1195537930.db2.gz RABGJIJLWAWSSZ-UHFFFAOYSA-N 1 0 305.418 3.359 20 10 DGCDRO COC(=O)c1c(C[N@H+](C)[C@@H](C)C2CC2)c2cc(F)ccc2n1C ZINC001652481021 1195604544 /nfs/dbraw/zinc/60/45/44/1195604544.db2.gz KXIWEWPCXUZIAV-NSHDSACASA-N 1 0 318.392 3.334 20 10 DGCDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C(C)C ZINC001652740529 1195644640 /nfs/dbraw/zinc/64/46/40/1195644640.db2.gz WPMYSWYUZPTGBG-AWEZNQCLSA-N 1 0 315.360 3.126 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)c1 ZINC001652846208 1195659779 /nfs/dbraw/zinc/65/97/79/1195659779.db2.gz AMVSFVLMFYKUKI-UHFFFAOYSA-N 1 0 312.344 3.383 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)cc1 ZINC001653072470 1195686000 /nfs/dbraw/zinc/68/60/00/1195686000.db2.gz HNXMXRAMCHKOFG-QQOXCAACSA-N 1 0 302.462 3.249 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)N(C)C)cc1 ZINC001653221786 1195700389 /nfs/dbraw/zinc/70/03/89/1195700389.db2.gz BIKYCRHUNJMKFM-BVBHFADKSA-N 1 0 301.478 3.134 20 10 DGCDRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1O ZINC001654776327 1195839022 /nfs/dbraw/zinc/83/90/22/1195839022.db2.gz GQBAWBGSQKPUPY-FNHZYXHNSA-N 1 0 324.424 3.262 20 10 DGCDRO CCC(C)(C)[NH+]1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC001654893497 1195850798 /nfs/dbraw/zinc/85/07/98/1195850798.db2.gz ZTOAZUXWCZCZDS-UHFFFAOYSA-N 1 0 322.424 3.040 20 10 DGCDRO CCC(=O)N1CCC([NH2+]Cc2ccc(N(CC)CC)cc2)CC1 ZINC001655323750 1195904027 /nfs/dbraw/zinc/90/40/27/1195904027.db2.gz ZWRIRTFNTRULFY-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001655526557 1195927855 /nfs/dbraw/zinc/92/78/55/1195927855.db2.gz ZWZQTBCBPBVDRJ-UHFFFAOYSA-N 1 0 317.477 3.025 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2CCCCCC2)cc1 ZINC001656036171 1195990607 /nfs/dbraw/zinc/99/06/07/1195990607.db2.gz VFUUHOWDSJWQPO-BQYQJAHWSA-N 1 0 301.478 3.231 20 10 DGCDRO CC1(C)C(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC001656136018 1196009045 /nfs/dbraw/zinc/00/90/45/1196009045.db2.gz JUMFLHZTLNCDMN-UHFFFAOYSA-N 1 0 320.452 3.434 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2c(C)c3ccccc3n2C)cn1 ZINC001656747114 1196068001 /nfs/dbraw/zinc/06/80/01/1196068001.db2.gz CNUXKNZPSVLYQI-UHFFFAOYSA-N 1 0 309.413 3.223 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCCC(C)(C)O2)cc1F ZINC001657089687 1196103306 /nfs/dbraw/zinc/10/33/06/1196103306.db2.gz PPXNJYLIUIMJHD-CYBMUJFWSA-N 1 0 312.404 3.468 20 10 DGCDRO CC[N@@H+](Cc1ccc(C)cc1O)C[C@@H]1COc2ccccc2O1 ZINC001657224432 1196120236 /nfs/dbraw/zinc/12/02/36/1196120236.db2.gz WEDKJIUKTAXNAS-MRXNPFEDSA-N 1 0 313.397 3.363 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cnn3ccccc23)n1 ZINC001657275303 1196125759 /nfs/dbraw/zinc/12/57/59/1196125759.db2.gz GQCAKLIWYOGTMU-UHFFFAOYSA-N 1 0 304.444 3.063 20 10 DGCDRO CC(C)[C@H]1C[C@H]([NH2+]CCCSc2nccs2)CCO1 ZINC001657271970 1196125781 /nfs/dbraw/zinc/12/57/81/1196125781.db2.gz XDFLXFFDTTXDTJ-CHWSQXEVSA-N 1 0 300.493 3.419 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC001657300650 1196128540 /nfs/dbraw/zinc/12/85/40/1196128540.db2.gz LVZMAISYURGCQT-CQSZACIVSA-N 1 0 308.853 3.414 20 10 DGCDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc(F)ccc1O ZINC001657550441 1196154074 /nfs/dbraw/zinc/15/40/74/1196154074.db2.gz UFYZREJUOGDNQM-UHFFFAOYSA-N 1 0 324.739 3.425 20 10 DGCDRO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1cc(F)ccc1O)CCC2 ZINC001657666839 1196167804 /nfs/dbraw/zinc/16/78/04/1196167804.db2.gz HQOWXJGKLOABSG-HNNXBMFYSA-N 1 0 303.381 3.476 20 10 DGCDRO CN(CC1Cc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC001657686837 1196169218 /nfs/dbraw/zinc/16/92/18/1196169218.db2.gz ZPDGLPMMSLVYQL-UHFFFAOYSA-N 1 0 324.468 3.478 20 10 DGCDRO CN(CCc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC001657685779 1196169435 /nfs/dbraw/zinc/16/94/35/1196169435.db2.gz JNEPAFRWUGBIHB-UHFFFAOYSA-N 1 0 316.420 3.445 20 10 DGCDRO CC1(C)CCCN(CC[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001657868422 1196188450 /nfs/dbraw/zinc/18/84/50/1196188450.db2.gz TUUTVDYWWSARGX-UHFFFAOYSA-N 1 0 302.462 3.223 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001657870396 1196189346 /nfs/dbraw/zinc/18/93/46/1196189346.db2.gz GDTSVAUQHGNQHW-INIZCTEOSA-N 1 0 305.418 3.433 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)cc1Cn1cccn1 ZINC001657970195 1196196947 /nfs/dbraw/zinc/19/69/47/1196196947.db2.gz LWNCLKVKHZLLLC-WMZOPIPTSA-N 1 0 313.445 3.322 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)CCc2ccccc2)c(Cl)c1 ZINC001658021376 1196203080 /nfs/dbraw/zinc/20/30/80/1196203080.db2.gz CBBXKTKWYVLHRD-HNNXBMFYSA-N 1 0 319.832 3.437 20 10 DGCDRO OC[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)C[C@H]1c1ccccc1 ZINC001658050066 1196206598 /nfs/dbraw/zinc/20/65/98/1196206598.db2.gz QVABWHXZHUCJBA-FPOVZHCZSA-N 1 0 323.436 3.267 20 10 DGCDRO OC[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)C[C@H]1c1ccccc1 ZINC001658050067 1196207121 /nfs/dbraw/zinc/20/71/21/1196207121.db2.gz QVABWHXZHUCJBA-PZJWPPBQSA-N 1 0 323.436 3.267 20 10 DGCDRO CCN(CC)c1ccc(CN[C@@H](C)C[N@H+](C)C(C)C)cc1F ZINC001658059150 1196207893 /nfs/dbraw/zinc/20/78/93/1196207893.db2.gz FWTUWOUDZFWHMB-HNNXBMFYSA-N 1 0 309.473 3.490 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCOCC2CCCC2)cc1F ZINC001658073160 1196209683 /nfs/dbraw/zinc/20/96/83/1196209683.db2.gz PCTGBXMKOXGQBD-UHFFFAOYSA-N 1 0 312.404 3.327 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1C ZINC001658176127 1196221727 /nfs/dbraw/zinc/22/17/27/1196221727.db2.gz ZHWJHHUFOMYWBH-FGTMMUONSA-N 1 0 302.462 3.214 20 10 DGCDRO CC[C@H](C)[C@H](C[N@H+](C)CCN(C)c1ccc(OC)cc1)OC ZINC001658486677 1196263501 /nfs/dbraw/zinc/26/35/01/1196263501.db2.gz GWOUXSJNIAYQQS-YJBOKZPZSA-N 1 0 308.466 3.124 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c(O)c1 ZINC001658587994 1196276851 /nfs/dbraw/zinc/27/68/51/1196276851.db2.gz OADFGOXGJKUPLK-HNNXBMFYSA-N 1 0 318.461 3.206 20 10 DGCDRO C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC001658777796 1196299892 /nfs/dbraw/zinc/29/98/92/1196299892.db2.gz IZBMUWBGERSACK-MRCXROJRSA-N 1 0 315.244 3.129 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC001658788561 1196301477 /nfs/dbraw/zinc/30/14/77/1196301477.db2.gz RDYJHCZPBSQPHQ-SFHVURJKSA-N 1 0 323.396 3.128 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3nccs3)C2)c(O)c1 ZINC001658797051 1196302793 /nfs/dbraw/zinc/30/27/93/1196302793.db2.gz IRMVSBNHVRUZLV-LBPRGKRZSA-N 1 0 304.415 3.155 20 10 DGCDRO CC[N@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)C1CCC1 ZINC001659049474 1196337799 /nfs/dbraw/zinc/33/77/99/1196337799.db2.gz JHTIECOQUHCNEL-UHFFFAOYSA-N 1 0 318.392 3.478 20 10 DGCDRO Cc1nc2ccccn2c1C[NH2+]Cc1ccc(Cl)cc1O ZINC001659065022 1196339997 /nfs/dbraw/zinc/33/99/97/1196339997.db2.gz ZJDAPROHHFSCCY-UHFFFAOYSA-N 1 0 301.777 3.292 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@]1(CO)CC(C)C ZINC001659071010 1196340531 /nfs/dbraw/zinc/34/05/31/1196340531.db2.gz HFTPIKVAQWORES-LJQANCHMSA-N 1 0 304.478 3.434 20 10 DGCDRO CCOC(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1C)CC1CC1 ZINC001659145903 1196352310 /nfs/dbraw/zinc/35/23/10/1196352310.db2.gz VLTIQHPUJMYSAH-UHFFFAOYSA-N 1 0 318.461 3.226 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H](C)c2ncc(C)s2)cc1OC ZINC001659373027 1196376772 /nfs/dbraw/zinc/37/67/72/1196376772.db2.gz NMBPKOXBGUYHBE-SNVBAGLBSA-N 1 0 322.430 3.068 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)ccc1N1CCCCC1 ZINC001659535563 1196392749 /nfs/dbraw/zinc/39/27/49/1196392749.db2.gz AMLRKDQUJCGBTR-VQIMIIECSA-N 1 0 316.489 3.436 20 10 DGCDRO COCC[N@H+](Cc1c(C)cc(OC)cc1O)[C@@H]1CC[C@H](C)C1 ZINC001659643910 1196402099 /nfs/dbraw/zinc/40/20/99/1196402099.db2.gz MHZOANUDCPFCNC-DZGCQCFKSA-N 1 0 307.434 3.346 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC001659855672 1196422361 /nfs/dbraw/zinc/42/23/61/1196422361.db2.gz MJJCSCWMGIVHQL-DSLCMKTCSA-N 1 0 302.487 3.451 20 10 DGCDRO CO[C@]12CCC[C@@]1([NH2+]Cc1cc(C(C)C)ccc1O)CCO2 ZINC001659991810 1196435425 /nfs/dbraw/zinc/43/54/25/1196435425.db2.gz ARJIKDREPLHJOI-MSOLQXFVSA-N 1 0 305.418 3.291 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001660193889 1196455743 /nfs/dbraw/zinc/45/57/43/1196455743.db2.gz MUZZUFLRIDJXQR-CHWSQXEVSA-N 1 0 311.372 3.309 20 10 DGCDRO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001660443629 1196484436 /nfs/dbraw/zinc/48/44/36/1196484436.db2.gz WBKBDPDCMRCHMB-QGZVFWFLSA-N 1 0 304.434 3.006 20 10 DGCDRO CCOCc1cc(C[NH2+]CCN2CCC(C)CC2)ccc1OC ZINC001660919800 1196542175 /nfs/dbraw/zinc/54/21/75/1196542175.db2.gz OGQCUSVGUJHTIP-UHFFFAOYSA-N 1 0 320.477 3.053 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC001661259170 1196589589 /nfs/dbraw/zinc/58/95/89/1196589589.db2.gz DTKKYCWYLVWGCH-LJQANCHMSA-N 1 0 302.462 3.318 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)ccc1OC ZINC001661524023 1196615683 /nfs/dbraw/zinc/61/56/83/1196615683.db2.gz LNWCGSCSEZEVKO-CGTJXYLNSA-N 1 0 319.445 3.135 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C2Cc3ccccc3C2)cc1F ZINC001662163081 1196689108 /nfs/dbraw/zinc/68/91/08/1196689108.db2.gz SIWXATXEMYGSIL-UHFFFAOYSA-N 1 0 302.368 3.288 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)C2CC2)cc1C ZINC001662315094 1196706342 /nfs/dbraw/zinc/70/63/42/1196706342.db2.gz UUDSLXNDTHXYMH-AWEZNQCLSA-N 1 0 318.461 3.034 20 10 DGCDRO CCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001662737960 1196744650 /nfs/dbraw/zinc/74/46/50/1196744650.db2.gz ARHHVGHCVGOYBS-IRXDYDNUSA-N 1 0 318.461 3.321 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@@H]4CC[C@@H](C4)C3)C2)cc1 ZINC001662841133 1196759755 /nfs/dbraw/zinc/75/97/55/1196759755.db2.gz BKXSPHDZFLBKBQ-VVLHAWIVSA-N 1 0 300.446 3.442 20 10 DGCDRO Fc1cc(C[NH2+]CCCCC2CC2)ccc1N1CCOCC1 ZINC001663080591 1196790261 /nfs/dbraw/zinc/79/02/61/1196790261.db2.gz YWYUSGXNCVHOPE-UHFFFAOYSA-N 1 0 306.425 3.332 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1F ZINC001663126717 1196796057 /nfs/dbraw/zinc/79/60/57/1196796057.db2.gz CSLPKAZOBQAEIR-MSOLQXFVSA-N 1 0 306.425 3.473 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2cccn2C)c(O)c1 ZINC001664123142 1196972406 /nfs/dbraw/zinc/97/24/06/1196972406.db2.gz UIZKIUSSSCIMNZ-KRWDZBQOSA-N 1 0 300.402 3.385 20 10 DGCDRO Cc1noc(C2(C)CC[NH+](Cc3ccc(Cl)cc3O)CC2)n1 ZINC001664234543 1196982373 /nfs/dbraw/zinc/98/23/73/1196982373.db2.gz VIKHXCQDPNAXGT-UHFFFAOYSA-N 1 0 321.808 3.291 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001664576821 1197016540 /nfs/dbraw/zinc/01/65/40/1197016540.db2.gz JUARNGCBWISNJF-MRXNPFEDSA-N 1 0 321.367 3.360 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](OC)C2CCCCC2)c1O ZINC001665345714 1197126276 /nfs/dbraw/zinc/12/62/76/1197126276.db2.gz QPSAYWPTPPHLSQ-QGZVFWFLSA-N 1 0 307.434 3.394 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC2(C3(O)CCC3)CCC2)cc1F ZINC001665645925 1197164478 /nfs/dbraw/zinc/16/44/78/1197164478.db2.gz WISZRNPXXQUFIC-UHFFFAOYSA-N 1 0 324.415 3.206 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(C(C)C)ccc1O)[C@H]1CCCOC1 ZINC001665672691 1197169066 /nfs/dbraw/zinc/16/90/66/1197169066.db2.gz MEKYWMQGWJUEMS-DOTOQJQBSA-N 1 0 307.434 3.047 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c1 ZINC001665688074 1197172025 /nfs/dbraw/zinc/17/20/25/1197172025.db2.gz LSIGCHKRVLVHMJ-LJHODMEESA-N 1 0 319.445 3.332 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccc(F)cc1 ZINC001665890810 1197211983 /nfs/dbraw/zinc/21/19/83/1197211983.db2.gz OOAOLCHQKOFOIB-MRXNPFEDSA-N 1 0 319.376 3.326 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@]2(NC(C)=O)CCCC[C@H]2C)cc1C ZINC001666043238 1197230160 /nfs/dbraw/zinc/23/01/60/1197230160.db2.gz KBNRVCAYORXKFN-BEFAXECRSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)CC2CCC2)cc1C ZINC001670057059 1197517589 /nfs/dbraw/zinc/51/75/89/1197517589.db2.gz SHHDEJGDUCCODS-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO CC(C)c1noc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000089577871 1197993537 /nfs/dbraw/zinc/99/35/37/1197993537.db2.gz RPOQRAVFMDTKQH-ZDUSSCGKSA-N 1 0 302.422 3.152 20 10 DGCDRO CCCC[C@@H](CC)COC[C@H](O)C[NH2+]Cc1ccccc1O ZINC000318300618 1199830414 /nfs/dbraw/zinc/83/04/14/1199830414.db2.gz NOUPBPAQTZNHIC-NVXWUHKLSA-N 1 0 309.450 3.076 20 10 DGCDRO Nc1ccc(CC(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000319970138 1199843537 /nfs/dbraw/zinc/84/35/37/1199843537.db2.gz DRVWLUHPOAPCGO-UHFFFAOYSA-N 1 0 309.413 3.046 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C(C)(C)C)C2)cc1C ZINC001688915538 1199957651 /nfs/dbraw/zinc/95/76/51/1199957651.db2.gz ZFFQXNORSRTJQS-IYBDPMFKSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@H](CNC(=O)CC(C)(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698589809 1201265200 /nfs/dbraw/zinc/26/52/00/1201265200.db2.gz BHCSWUNDXPCEIE-MRXNPFEDSA-N 1 0 320.477 3.424 20 10 DGCDRO CCC(C)(C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001699661283 1202020975 /nfs/dbraw/zinc/02/09/75/1202020975.db2.gz LEXCVFVCULUCHM-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)C(C)C)cc1C ZINC001753014066 1202060200 /nfs/dbraw/zinc/06/02/00/1202060200.db2.gz DIYSXDLHYXMHGG-CVEARBPZSA-N 1 0 320.477 3.280 20 10 DGCDRO COc1ccc(C[NH2+]C2(CNC(=O)C(C)(C)C)CCC2)cc1C ZINC001700140280 1202190831 /nfs/dbraw/zinc/19/08/31/1202190831.db2.gz GRGXLXQQCHBFNN-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO C/C=C(\C)C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700652450 1202329572 /nfs/dbraw/zinc/32/95/72/1202329572.db2.gz HINIWKDTDUAHMH-QHDPKREISA-N 1 0 318.461 3.344 20 10 DGCDRO C[C@@H]1CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1 ZINC000237395340 1202673101 /nfs/dbraw/zinc/67/31/01/1202673101.db2.gz JUWGKVMCHHGQTB-HOTGVXAUSA-N 1 0 302.462 3.438 20 10 DGCDRO CCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001725553884 1204167011 /nfs/dbraw/zinc/16/70/11/1204167011.db2.gz DLTXIRIWYWVHBP-NVXWUHKLSA-N 1 0 318.461 3.273 20 10 DGCDRO CCCC(=O)N[C@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001732238545 1204766583 /nfs/dbraw/zinc/76/65/83/1204766583.db2.gz HTOIWKVCHOYRSV-LJQANCHMSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC2(C)C)cc1C ZINC001732686683 1204929407 /nfs/dbraw/zinc/92/94/07/1204929407.db2.gz VFRICPZQXZMSJR-ZBFHGGJFSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)C2=CCCC2)cc1C ZINC001733097241 1205023381 /nfs/dbraw/zinc/02/33/81/1205023381.db2.gz OPZYJWIMAQUHIS-UHFFFAOYSA-N 1 0 316.445 3.052 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC(C)(C)C)cc1C ZINC001733961586 1205272040 /nfs/dbraw/zinc/27/20/40/1205272040.db2.gz CWZKOHZVFRBKRM-HUUCEWRRSA-N 1 0 320.477 3.423 20 10 DGCDRO CC(=O)OC(C)(C)CCC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001209159412 1081692807 /nfs/dbraw/zinc/69/28/07/1081692807.db2.gz RVUNSKOSNSOKRG-UHFFFAOYSA-N 1 0 306.450 3.306 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc3nonc3c2)C2CC2)cc1 ZINC001167108997 1081706339 /nfs/dbraw/zinc/70/63/39/1081706339.db2.gz WULCQQHTOJXASI-UHFFFAOYSA-N 1 0 322.412 3.453 20 10 DGCDRO Cc1ncsc1C[NH2+]Cc1ccc(Br)cc1O ZINC000691439858 1081714782 /nfs/dbraw/zinc/71/47/82/1081714782.db2.gz LGOZASZVFNOCRX-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)C1(C)C ZINC000691476966 1081867827 /nfs/dbraw/zinc/86/78/27/1081867827.db2.gz OYSOHHUTDYVLSX-QWHCGFSZSA-N 1 0 314.223 3.058 20 10 DGCDRO CCC(CC)(C[NH2+]Cc1ccc(Br)cc1O)OC ZINC000691489064 1081924812 /nfs/dbraw/zinc/92/48/12/1081924812.db2.gz PQHNTCIGKSCYFC-UHFFFAOYSA-N 1 0 316.239 3.450 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001140178534 1081936707 /nfs/dbraw/zinc/93/67/07/1081936707.db2.gz NQZCCWBXKNNRFC-SWLSCSKDSA-N 1 0 317.351 3.144 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ccc4ocnc4c3)cc2)CC1 ZINC001167434554 1082114018 /nfs/dbraw/zinc/11/40/18/1082114018.db2.gz QAUKGPIYDADETH-UHFFFAOYSA-N 1 0 322.412 3.192 20 10 DGCDRO OCc1ccc2c(c1)CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338119 1082142994 /nfs/dbraw/zinc/14/29/94/1082142994.db2.gz VVGZAVOGQKGJIZ-UHFFFAOYSA-N 1 0 303.789 3.096 20 10 DGCDRO COCCOc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001170157616 1082264495 /nfs/dbraw/zinc/26/44/95/1082264495.db2.gz LAVDHMGFGBHBDZ-SJLPKXTDSA-N 1 0 318.461 3.022 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)ccc1N(C)C ZINC001170442896 1082455186 /nfs/dbraw/zinc/45/51/86/1082455186.db2.gz LCUDJMSVZWHMDE-MJGOQNOKSA-N 1 0 306.494 3.440 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)CC2CCC2)cc1C ZINC001267127062 1082544377 /nfs/dbraw/zinc/54/43/77/1082544377.db2.gz JDVVNYIDYAWRDT-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCC(CC)[C@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130573776 1082594855 /nfs/dbraw/zinc/59/48/55/1082594855.db2.gz ZBYDMYLGOZLJEM-HNNXBMFYSA-N 1 0 320.477 3.282 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CC[C@@H](C)C2)cc1C ZINC001132538870 1082937443 /nfs/dbraw/zinc/93/74/43/1082937443.db2.gz RPASYBFCRKKZAM-GDBMZVCRSA-N 1 0 318.461 3.036 20 10 DGCDRO Cc1c(O)ccc(C[N@H+](Cc2ccccc2)CC(C)(C)O)c1O ZINC001140748173 1082960140 /nfs/dbraw/zinc/96/01/40/1082960140.db2.gz TWLRKBSKQFMQMF-UHFFFAOYSA-N 1 0 315.413 3.179 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC2CC2)cc1C ZINC001133482046 1083137682 /nfs/dbraw/zinc/13/76/82/1083137682.db2.gz KGYKLJYVGGYEIS-GJZGRUSLSA-N 1 0 318.461 3.177 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC001140923650 1083186052 /nfs/dbraw/zinc/18/60/52/1083186052.db2.gz FRKMCBZZFQSZLU-MRXNPFEDSA-N 1 0 307.869 3.076 20 10 DGCDRO COc1cccc(C2CC([NH2+]Cc3ccc(OC)cc3O)C2)c1 ZINC001181196766 1083427145 /nfs/dbraw/zinc/42/71/45/1083427145.db2.gz XYZHIDAVDAASFH-UHFFFAOYSA-N 1 0 313.397 3.445 20 10 DGCDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc(Cl)cc1O ZINC001181556520 1083491443 /nfs/dbraw/zinc/49/14/43/1083491443.db2.gz XRHZFFFUHUDCBV-CYBMUJFWSA-N 1 0 304.777 3.313 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CC3CCC2CC3)cc1OC ZINC001182532319 1083748147 /nfs/dbraw/zinc/74/81/47/1083748147.db2.gz BYSRXAFHVBAODD-JXQTWKCFSA-N 1 0 305.418 3.325 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(C)c(C)c2)cc(O)c1O ZINC001204348255 1083756955 /nfs/dbraw/zinc/75/69/55/1083756955.db2.gz AMRDHBWZHDDESV-UHFFFAOYSA-N 1 0 301.386 3.355 20 10 DGCDRO CC(C)(C)OC(=O)N1CCC[NH+](Cc2ccccc2O)CCC1 ZINC001203560880 1083896727 /nfs/dbraw/zinc/89/67/27/1083896727.db2.gz ITTUVGIWQJXVIE-UHFFFAOYSA-N 1 0 320.433 3.225 20 10 DGCDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1O ZINC001203560901 1083898216 /nfs/dbraw/zinc/89/82/16/1083898216.db2.gz KCLWZWFDJUIGLR-IBGZPJMESA-N 1 0 310.441 3.489 20 10 DGCDRO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1O ZINC001183846489 1084041193 /nfs/dbraw/zinc/04/11/93/1084041193.db2.gz TWYHYGNZHCFWCA-UHFFFAOYSA-N 1 0 319.788 3.449 20 10 DGCDRO CN(C)c1ccnc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC001183846510 1084042055 /nfs/dbraw/zinc/04/20/55/1084042055.db2.gz UALNFOVVQIQJHI-UHFFFAOYSA-N 1 0 307.397 3.296 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c(O)c1 ZINC001203634931 1084613930 /nfs/dbraw/zinc/61/39/30/1084613930.db2.gz BRARVSJUQFMDJX-CYBMUJFWSA-N 1 0 303.402 3.125 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC001203648810 1084713516 /nfs/dbraw/zinc/71/35/16/1084713516.db2.gz VORDULSYVGLZRX-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001203657134 1084778618 /nfs/dbraw/zinc/77/86/18/1084778618.db2.gz FVJSDYYRZANNMO-MRXNPFEDSA-N 1 0 308.853 3.496 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001203657222 1084778687 /nfs/dbraw/zinc/77/86/87/1084778687.db2.gz IIHMWPUSDDSUDI-INIZCTEOSA-N 1 0 318.804 3.484 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742218 1085890543 /nfs/dbraw/zinc/89/05/43/1085890543.db2.gz KLRGQMSVWKAXQJ-UHFFFAOYSA-N 1 0 312.816 3.150 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)Cc1ccccc1C ZINC001656099141 1126256561 /nfs/dbraw/zinc/25/65/61/1126256561.db2.gz WLPDNIPUOZJXPS-SFHVURJKSA-N 1 0 322.452 3.488 20 10 DGCDRO Cc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)c(O)c1 ZINC001658751743 1126262923 /nfs/dbraw/zinc/26/29/23/1126262923.db2.gz NOIFORLNDQQXGY-GOSISDBHSA-N 1 0 319.832 3.437 20 10 DGCDRO C[NH2+]C[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001205016714 1086620735 /nfs/dbraw/zinc/62/07/35/1086620735.db2.gz JUBRWLIGMMBXNP-JTQLQIEISA-N 1 0 303.233 3.130 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC(C)(C)C)cc1C ZINC001482809351 1087162333 /nfs/dbraw/zinc/16/23/33/1087162333.db2.gz CTBWCUKPPRZCIM-OAHLLOKOSA-N 1 0 320.477 3.424 20 10 DGCDRO [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235105340 1088207240 /nfs/dbraw/zinc/20/72/40/1088207240.db2.gz BYCJBSGELUKOOW-UHFFFAOYSA-N 1 0 315.244 3.275 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001236092198 1088595170 /nfs/dbraw/zinc/59/51/70/1088595170.db2.gz BPVBQRFTIXUEQT-AOOOYVTPSA-N 1 0 301.217 3.025 20 10 DGCDRO CCC[C@H]1CN(Cc2c(O)ccc(Cl)c2Cl)CC[NH2+]1 ZINC001236178145 1088677229 /nfs/dbraw/zinc/67/72/29/1088677229.db2.gz HJQIHPVURMERBE-JTQLQIEISA-N 1 0 303.233 3.273 20 10 DGCDRO CCN(Cc1ccccc1O)c1ncccc1C[NH+]1CCCC1 ZINC001154890971 1088812470 /nfs/dbraw/zinc/81/24/70/1088812470.db2.gz YKROSEAQDBPKKB-UHFFFAOYSA-N 1 0 311.429 3.410 20 10 DGCDRO Cc1cc(C)c(CNc2nc(N3CCCC3)cc(C)[nH+]2)c(O)c1 ZINC001160808123 1088970568 /nfs/dbraw/zinc/97/05/68/1088970568.db2.gz KZHGFDPHKBQRPO-UHFFFAOYSA-N 1 0 312.417 3.320 20 10 DGCDRO CCC[C@@H](C)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155541149 1089152692 /nfs/dbraw/zinc/15/26/92/1089152692.db2.gz XLWCHCATVJPCLT-OAHLLOKOSA-N 1 0 320.477 3.426 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCC2(C1)OCCO2)c1ccc(N(C)C)cc1 ZINC000715640435 1090665768 /nfs/dbraw/zinc/66/57/68/1090665768.db2.gz PTYOJYUFYMAFGZ-GOEBONIOSA-N 1 0 304.434 3.089 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001203552764 1090754735 /nfs/dbraw/zinc/75/47/35/1090754735.db2.gz SHXUWCDBDLWUKA-UHFFFAOYSA-N 1 0 321.380 3.043 20 10 DGCDRO COc1cccc(C[N@H+](C2CCCC2)C2CCN(C)CC2)c1O ZINC001203601644 1090765664 /nfs/dbraw/zinc/76/56/64/1090765664.db2.gz FBOJRZPPGPUFGE-UHFFFAOYSA-N 1 0 318.461 3.240 20 10 DGCDRO CCOc1cccc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c1O ZINC001203617603 1090767110 /nfs/dbraw/zinc/76/71/10/1090767110.db2.gz RMFKHIFIWQAYSU-INIZCTEOSA-N 1 0 313.397 3.226 20 10 DGCDRO CCOc1cccc(C[NH+]2CC3(C2)CC(F)(F)CS3)c1O ZINC001203614302 1090767639 /nfs/dbraw/zinc/76/76/39/1090767639.db2.gz VRXWEIJNOXGRED-UHFFFAOYSA-N 1 0 315.385 3.118 20 10 DGCDRO CCC[N@H+](CCOC)Cc1cc(Br)ccc1O ZINC001203635017 1090770065 /nfs/dbraw/zinc/77/00/65/1090770065.db2.gz GDXVMPZPQIJNOI-UHFFFAOYSA-N 1 0 302.212 3.013 20 10 DGCDRO CC1(F)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC001203636257 1090770991 /nfs/dbraw/zinc/77/09/91/1090770991.db2.gz RJFUDZDSBVEFNS-UHFFFAOYSA-N 1 0 302.187 3.479 20 10 DGCDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001203645539 1090772792 /nfs/dbraw/zinc/77/27/92/1090772792.db2.gz MDMCRXPDISUPMW-UWJYBYFXSA-N 1 0 300.171 3.087 20 10 DGCDRO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]12 ZINC001203650822 1090773537 /nfs/dbraw/zinc/77/35/37/1090773537.db2.gz DSLLNTPYBWSGMJ-HOTGVXAUSA-N 1 0 313.784 3.458 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)c1 ZINC001203681052 1090779124 /nfs/dbraw/zinc/77/91/24/1090779124.db2.gz MWRXBJZKEOYOEW-UHFFFAOYSA-N 1 0 323.396 3.219 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c1 ZINC001203680058 1090779227 /nfs/dbraw/zinc/77/92/27/1090779227.db2.gz BFOWVCPBGJMMKI-AWEZNQCLSA-N 1 0 321.417 3.097 20 10 DGCDRO COC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@H]1CCCOC1 ZINC001203706600 1090785984 /nfs/dbraw/zinc/78/59/84/1090785984.db2.gz OEVYVCCZWMPIGH-RDJZCZTQSA-N 1 0 316.445 3.018 20 10 DGCDRO Oc1ccc(C[NH+]2CCC(COc3ccccc3)CC2)cc1O ZINC001203878320 1090825030 /nfs/dbraw/zinc/82/50/30/1090825030.db2.gz DGKNROOCBPYTIY-UHFFFAOYSA-N 1 0 313.397 3.389 20 10 DGCDRO Oc1ccc(C[NH+]2CCC(n3ncc4ccccc43)CC2)cc1O ZINC001203880798 1090826558 /nfs/dbraw/zinc/82/65/58/1090826558.db2.gz ZZCYXZSYBAKCMY-UHFFFAOYSA-N 1 0 323.396 3.285 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](O)(CF)CC2)cc1 ZINC001203937288 1090843659 /nfs/dbraw/zinc/84/36/59/1090843659.db2.gz UEMDYIHVSLUDTE-SFHVURJKSA-N 1 0 308.441 3.219 20 10 DGCDRO COC(=O)c1ccc(C2C[NH+](Cc3ccc(N(C)C)cc3)C2)cc1 ZINC001203937589 1090843878 /nfs/dbraw/zinc/84/38/78/1090843878.db2.gz YSTNQDWIGHTWOR-UHFFFAOYSA-N 1 0 324.424 3.139 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC001203942809 1090845225 /nfs/dbraw/zinc/84/52/25/1090845225.db2.gz SBFBZBNHIZORFA-HKUYNNGSSA-N 1 0 301.478 3.059 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](C)(C(=O)OC)C2)cc1 ZINC001203942456 1090845492 /nfs/dbraw/zinc/84/54/92/1090845492.db2.gz RBURGTZZMXWXRS-IBGZPJMESA-N 1 0 318.461 3.308 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c2ccccc21 ZINC001204232395 1090929374 /nfs/dbraw/zinc/92/93/74/1090929374.db2.gz BWFPJANTDKQNBG-HOCLYGCPSA-N 1 0 316.420 3.058 20 10 DGCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232678 1090930810 /nfs/dbraw/zinc/93/08/10/1090930810.db2.gz IFSAVDCWZBLSSF-HOTGVXAUSA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c2ccccc21 ZINC001204235113 1090931858 /nfs/dbraw/zinc/93/18/58/1090931858.db2.gz GGFWILMHSOMVPJ-SJORKVTESA-N 1 0 310.441 3.374 20 10 DGCDRO CN(C)c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC001204240685 1090932330 /nfs/dbraw/zinc/93/23/30/1090932330.db2.gz BFUAXDJYIBBWNO-KRWDZBQOSA-N 1 0 309.457 3.186 20 10 DGCDRO Oc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c(O)c1 ZINC001204279090 1090939626 /nfs/dbraw/zinc/93/96/26/1090939626.db2.gz QGDXWXCNTGPFOL-INIZCTEOSA-N 1 0 301.411 3.388 20 10 DGCDRO COc1cc(Br)cc(CN2C[C@@H](F)C[C@H]2C)c1O ZINC001204336464 1090951502 /nfs/dbraw/zinc/95/15/02/1090951502.db2.gz QISHVTOHJHSEHY-KCJUWKMLSA-N 1 0 318.186 3.096 20 10 DGCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204323026 1090949225 /nfs/dbraw/zinc/94/92/25/1090949225.db2.gz ZDRXTSIMXCCIAX-KRWDZBQOSA-N 1 0 316.445 3.062 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCC[C@]1(C)O ZINC001204324374 1090949533 /nfs/dbraw/zinc/94/95/33/1090949533.db2.gz KZRCEHWVHVUUNT-LPHOPBHVSA-N 1 0 302.462 3.270 20 10 DGCDRO CC[C@H](C)[C@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC001205101412 1091101946 /nfs/dbraw/zinc/10/19/46/1091101946.db2.gz SBSKIDZNEJTXHK-IEZWGBDMSA-N 1 0 321.461 3.434 20 10 DGCDRO O=C1CCN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1F ZINC001138215737 1091118345 /nfs/dbraw/zinc/11/83/45/1091118345.db2.gz RTXIFBVKCCRWDQ-KRWDZBQOSA-N 1 0 304.409 3.180 20 10 DGCDRO O=C1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]12 ZINC001138222084 1091119844 /nfs/dbraw/zinc/11/98/44/1091119844.db2.gz GFOSMHXMCIJHIK-IEBWSBKVSA-N 1 0 312.457 3.478 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001138220837 1091120320 /nfs/dbraw/zinc/12/03/20/1091120320.db2.gz PFBWFPVNRMDCGR-IBGZPJMESA-N 1 0 300.446 3.432 20 10 DGCDRO Cc1c(C[N@H+]2CC[C@H](C)[C@](C)(O)CC2)c2ccccc2n1C ZINC001138252750 1091125880 /nfs/dbraw/zinc/12/58/80/1091125880.db2.gz SRQBWPPAKVQGMC-IFXJQAMLSA-N 1 0 300.446 3.470 20 10 DGCDRO Cc1c(C[N@H+](CCO)Cc2ccccc2)c2ccccc2n1C ZINC001138252624 1091126231 /nfs/dbraw/zinc/12/62/31/1091126231.db2.gz NUXZJGYCMNRWHW-UHFFFAOYSA-N 1 0 308.425 3.481 20 10 DGCDRO Cc1c(C[N@H+]2CC[C@H](C)[C@@](C)(O)CC2)c2ccccc2n1C ZINC001138252752 1091126870 /nfs/dbraw/zinc/12/68/70/1091126870.db2.gz SRQBWPPAKVQGMC-LIRRHRJNSA-N 1 0 300.446 3.470 20 10 DGCDRO C[C@@]1(CF)CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337640 1091144968 /nfs/dbraw/zinc/14/49/68/1091144968.db2.gz CHVABANIMBKMCK-IBGZPJMESA-N 1 0 318.436 3.273 20 10 DGCDRO C[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)CC1CCC1 ZINC001138337787 1091145757 /nfs/dbraw/zinc/14/57/57/1091145757.db2.gz ZGSYSHOFINJLCR-UHFFFAOYSA-N 1 0 300.446 3.323 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CCC4(C[C@@H](F)CO4)CC3)ccc21 ZINC001138356374 1091150511 /nfs/dbraw/zinc/15/05/11/1091150511.db2.gz NBOGTULYMGTJOC-QGZVFWFLSA-N 1 0 318.436 3.162 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CCC4(CCCO4)CC3)ccc21 ZINC001138357813 1091151861 /nfs/dbraw/zinc/15/18/61/1091151861.db2.gz LFJIPQYYXZEREY-UHFFFAOYSA-N 1 0 300.446 3.214 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c(OC)c1 ZINC001138386481 1091161315 /nfs/dbraw/zinc/16/13/15/1091161315.db2.gz NYUDDHGUMDGXFC-HOTGVXAUSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c(OC)c1 ZINC001138386186 1091161372 /nfs/dbraw/zinc/16/13/72/1091161372.db2.gz IVKRWZAKMNFNBK-QAPCUYQASA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(C)=O)CC2)c(OC)c1 ZINC001138389830 1091162888 /nfs/dbraw/zinc/16/28/88/1091162888.db2.gz MJYIHXXFDGAUSU-UHFFFAOYSA-N 1 0 318.461 3.342 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2CCOCC2)c(OC)c1 ZINC001138386879 1091163616 /nfs/dbraw/zinc/16/36/16/1091163616.db2.gz YUZONZUDKKEDKE-UHFFFAOYSA-N 1 0 320.477 3.400 20 10 DGCDRO C[C@@H]1CCN(Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC001205317341 1091182611 /nfs/dbraw/zinc/18/26/11/1091182611.db2.gz OCKDREFKXYTYBG-ZJUUUORDSA-N 1 0 303.233 3.116 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C(C)C)ccc2O)[C@@]12CCCO2 ZINC001205320253 1091183962 /nfs/dbraw/zinc/18/39/62/1091183962.db2.gz FYYWQHHWHVSHDW-OTWHNJEPSA-N 1 0 319.445 3.332 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC[C@@](C)(O)c2ccccc2)c(O)c1 ZINC001205491676 1091235712 /nfs/dbraw/zinc/23/57/12/1091235712.db2.gz BMEAKLKPEURWHY-LJQANCHMSA-N 1 0 315.413 3.097 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@H]1C[NH3+] ZINC001205651103 1091296731 /nfs/dbraw/zinc/29/67/31/1091296731.db2.gz ADZNJMGUEAYPAO-RYUDHWBXSA-N 1 0 316.367 3.218 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(O)c1 ZINC001205699812 1091316243 /nfs/dbraw/zinc/31/62/43/1091316243.db2.gz KZXZIJXJODJVQH-JKSUJKDBSA-N 1 0 319.445 3.348 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccc(C(N)=O)cc2)c(Cl)c1 ZINC001205711019 1091320096 /nfs/dbraw/zinc/32/00/96/1091320096.db2.gz WDKHSZWKKGRSPB-UHFFFAOYSA-N 1 0 318.804 3.085 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cnn(Cc3ccccc3)c1)CC2 ZINC001138767559 1091323355 /nfs/dbraw/zinc/32/33/55/1091323355.db2.gz XERUMSHVGXOVFN-UHFFFAOYSA-N 1 0 319.408 3.195 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@@H]1C[NH3+] ZINC001206024566 1091455329 /nfs/dbraw/zinc/45/53/29/1091455329.db2.gz KDUTZMSWQOLZGU-NWDGAFQWSA-N 1 0 316.367 3.218 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1(CO)CCC1 ZINC001206069471 1091478399 /nfs/dbraw/zinc/47/83/99/1091478399.db2.gz JMSCDROUMXWNOF-GOSISDBHSA-N 1 0 303.446 3.288 20 10 DGCDRO CN(C)c1ccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c2ccccc21 ZINC001206116570 1091497499 /nfs/dbraw/zinc/49/74/99/1091497499.db2.gz CLGKMEOUFVOONU-AWEZNQCLSA-N 1 0 319.399 3.074 20 10 DGCDRO [NH3+]C[C@]1(F)CCCCN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001206371039 1091603286 /nfs/dbraw/zinc/60/32/86/1091603286.db2.gz RECQHJLRPZLRIB-CQSZACIVSA-N 1 0 320.330 3.064 20 10 DGCDRO CC(C)(C)c1ccc(CN2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206371330 1091603829 /nfs/dbraw/zinc/60/38/29/1091603829.db2.gz SQDWNFMZFYNDDP-GOSISDBHSA-N 1 0 308.441 3.343 20 10 DGCDRO Cc1cnc(Cl)c(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001139596340 1091613360 /nfs/dbraw/zinc/61/33/60/1091613360.db2.gz XZLMLLKUJQMPRX-UHFFFAOYSA-N 1 0 318.804 3.403 20 10 DGCDRO Cc1cc(C[NH+]2CCC3(CCCOC3)CC2)ccc1N(C)C ZINC001139673427 1091639179 /nfs/dbraw/zinc/63/91/79/1091639179.db2.gz GSQMVRZGXRIXRV-UHFFFAOYSA-N 1 0 302.462 3.454 20 10 DGCDRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140055335 1091751174 /nfs/dbraw/zinc/75/11/74/1091751174.db2.gz RNFVTLAGURCUGW-OAHLLOKOSA-N 1 0 314.404 3.410 20 10 DGCDRO COC(=O)c1coc(C[NH2+]Cc2cc(C(C)C)ccc2O)c1 ZINC001206858033 1091773041 /nfs/dbraw/zinc/77/30/41/1091773041.db2.gz ZIUIVMVDODSKCI-UHFFFAOYSA-N 1 0 303.358 3.185 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c1O ZINC001140179715 1091791967 /nfs/dbraw/zinc/79/19/67/1091791967.db2.gz NBPOSGJEDIOBRO-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c1O ZINC001140178183 1091792579 /nfs/dbraw/zinc/79/25/79/1091792579.db2.gz BWAMACAQOLNNKJ-HNNXBMFYSA-N 1 0 317.351 3.288 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC001140182211 1091793371 /nfs/dbraw/zinc/79/33/71/1091793371.db2.gz KPHHZJJQADNBII-AWEZNQCLSA-N 1 0 305.418 3.173 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CC(C)(NC(=O)OC(C)(C)C)C2)c1O ZINC001140182298 1091794174 /nfs/dbraw/zinc/79/41/74/1091794174.db2.gz NXOCUZWQKBUOJC-UHFFFAOYSA-N 1 0 320.433 3.108 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c1O ZINC001140185021 1091794685 /nfs/dbraw/zinc/79/46/85/1091794685.db2.gz OKIIOOWJBXDFSP-UHFFFAOYSA-N 1 0 318.461 3.136 20 10 DGCDRO Oc1cccc2[nH]cc(C[N@@H+]3CCCc4cc(O)c(O)cc4C3)c21 ZINC001140234404 1091805895 /nfs/dbraw/zinc/80/58/95/1091805895.db2.gz HHVIGQAJBLLKLD-UHFFFAOYSA-N 1 0 324.380 3.233 20 10 DGCDRO C[C@@]1(F)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140283396 1091817348 /nfs/dbraw/zinc/81/73/48/1091817348.db2.gz RYAYZKPWHXMHRW-LJQANCHMSA-N 1 0 320.452 3.362 20 10 DGCDRO Oc1cccc(Cl)c1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001140337740 1091833572 /nfs/dbraw/zinc/83/35/72/1091833572.db2.gz BWLDOIDSIULOEJ-UHFFFAOYSA-N 1 0 317.763 3.436 20 10 DGCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1c(O)cccc1Cl ZINC001140341827 1091834428 /nfs/dbraw/zinc/83/44/28/1091834428.db2.gz JEOAONLVXWBWGQ-MKBNYLNASA-N 1 0 323.820 3.209 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCOC[C@H]1Cc1ccccc1 ZINC001140341654 1091835468 /nfs/dbraw/zinc/83/54/68/1091835468.db2.gz AGVBWJDVRTXOQK-OAHLLOKOSA-N 1 0 317.816 3.489 20 10 DGCDRO CCc1nnc(C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)o1 ZINC001140466123 1091877892 /nfs/dbraw/zinc/87/78/92/1091877892.db2.gz XUYWDYSLJWVOGK-UHFFFAOYSA-N 1 0 321.808 3.371 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1ccc(Cl)cc1O ZINC001140466933 1091879227 /nfs/dbraw/zinc/87/92/27/1091879227.db2.gz MTUXOCZZRUZOKK-UHFFFAOYSA-N 1 0 323.776 3.204 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c1 ZINC001140621096 1091934502 /nfs/dbraw/zinc/93/45/02/1091934502.db2.gz OMFUXGWEZGUXHB-ICSRJNTNSA-N 1 0 322.452 3.407 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2cc(C)ccc2O)c1OC ZINC001140623124 1091935504 /nfs/dbraw/zinc/93/55/04/1091935504.db2.gz GQYQGVBBNIJRMY-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CCCc1noc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC001140623616 1091936008 /nfs/dbraw/zinc/93/60/08/1091936008.db2.gz YBTATEBGESNMEC-UHFFFAOYSA-N 1 0 315.417 3.416 20 10 DGCDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140663749 1091949594 /nfs/dbraw/zinc/94/95/94/1091949594.db2.gz OHLDUXYZTSMBID-LSDHHAIUSA-N 1 0 306.425 3.283 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001140660518 1091949907 /nfs/dbraw/zinc/94/99/07/1091949907.db2.gz UTXCOOXYMOEYCN-HOTGVXAUSA-N 1 0 318.436 3.284 20 10 DGCDRO CC1(C)CC[NH+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140661497 1091950690 /nfs/dbraw/zinc/95/06/90/1091950690.db2.gz GUZFGTVAZSQHDR-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC2(CCCC2)C1 ZINC001140661528 1091950825 /nfs/dbraw/zinc/95/08/25/1091950825.db2.gz ICUXHGIQLTVYPV-UHFFFAOYSA-N 1 0 318.436 3.428 20 10 DGCDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140664136 1091951546 /nfs/dbraw/zinc/95/15/46/1091951546.db2.gz ZSTJAGGQPKQPSJ-HUUCEWRRSA-N 1 0 306.425 3.140 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1O ZINC001140749997 1091985548 /nfs/dbraw/zinc/98/55/48/1091985548.db2.gz RSVVMZJIVKVIMU-MRXNPFEDSA-N 1 0 317.360 3.199 20 10 DGCDRO Oc1c(F)cccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001276537909 1092002573 /nfs/dbraw/zinc/00/25/73/1092002573.db2.gz PMULVGVJLHLYDS-IYBDPMFKSA-N 1 0 304.409 3.123 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC)CCN2CCCC2)c(O)c1 ZINC001140855307 1092030421 /nfs/dbraw/zinc/03/04/21/1092030421.db2.gz UVBPXLAAOBPLMV-UHFFFAOYSA-N 1 0 319.493 3.156 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207627464 1092049192 /nfs/dbraw/zinc/04/91/92/1092049192.db2.gz ZGPBQDWWXBKCPS-IPMKNSEASA-N 1 0 312.457 3.167 20 10 DGCDRO COc1ccccc1N1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140948432 1092074329 /nfs/dbraw/zinc/07/43/29/1092074329.db2.gz HCEUCJQRILZKHM-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC001140948335 1092075504 /nfs/dbraw/zinc/07/55/04/1092075504.db2.gz FEVCTYDHNXXSMK-LJQANCHMSA-N 1 0 310.441 3.407 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c(O)c1 ZINC001140957492 1092080732 /nfs/dbraw/zinc/08/07/32/1092080732.db2.gz BGELZNNPKXVNQE-OAHLLOKOSA-N 1 0 305.418 3.397 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3C)CC2)c(O)c1 ZINC001140958165 1092082818 /nfs/dbraw/zinc/08/28/18/1092082818.db2.gz SYZACTMKWFUFQB-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO C[N@H+](CCc1cccnc1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075973 1092129985 /nfs/dbraw/zinc/12/99/85/1092129985.db2.gz IJXLGJIGYLYZKK-UHFFFAOYSA-N 1 0 321.468 3.455 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC1=O ZINC001141074634 1092130043 /nfs/dbraw/zinc/13/00/43/1092130043.db2.gz OXRQOAGLJHIEHN-OAHLLOKOSA-N 1 0 312.457 3.186 20 10 DGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078303 1092131461 /nfs/dbraw/zinc/13/14/61/1092131461.db2.gz QSHRMCNLXQIBKM-LJQANCHMSA-N 1 0 314.473 3.385 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCN3C)cc1 ZINC001141142563 1092148870 /nfs/dbraw/zinc/14/88/70/1092148870.db2.gz RXFJDWVKDBBJPL-UHFFFAOYSA-N 1 0 312.413 3.156 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](Oc4ccccc4)C3)ccc21 ZINC001141143150 1092148956 /nfs/dbraw/zinc/14/89/56/1092148956.db2.gz PBEUCEGWPKQVCX-GOSISDBHSA-N 1 0 324.424 3.169 20 10 DGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)c1 ZINC001141159840 1092155417 /nfs/dbraw/zinc/15/54/17/1092155417.db2.gz MRDAYJBWIMREIN-INIZCTEOSA-N 1 0 316.426 3.250 20 10 DGCDRO COc1ccccc1C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141160446 1092156267 /nfs/dbraw/zinc/15/62/67/1092156267.db2.gz YSQRZLHUITUADO-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CN1C(=O)OC(C)(C)C ZINC001168871120 1092406455 /nfs/dbraw/zinc/40/64/55/1092406455.db2.gz GZGNTRLWAWAXRD-DZGCQCFKSA-N 1 0 320.433 3.222 20 10 DGCDRO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530955 1092495091 /nfs/dbraw/zinc/49/50/91/1092495091.db2.gz MODBASDAHSNMRL-CYBMUJFWSA-N 1 0 317.335 3.375 20 10 DGCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143112693 1092616916 /nfs/dbraw/zinc/61/69/16/1092616916.db2.gz YFRICGTYTCMAED-DNVCBOLYSA-N 1 0 302.462 3.073 20 10 DGCDRO CN1C[C@@H]2CCC[N@H+](Cc3cccc(C(C)(C)C)c3O)[C@@H]2C1 ZINC001143110871 1092616965 /nfs/dbraw/zinc/61/69/65/1092616965.db2.gz RYUVHJGZUYAGAM-WMLDXEAASA-N 1 0 302.462 3.216 20 10 DGCDRO CC(C)(C)c1cccc(C[NH+]2CCN(CC(F)F)CC2)c1O ZINC001143111574 1092617059 /nfs/dbraw/zinc/61/70/59/1092617059.db2.gz DLAKXJKFFAUMJS-UHFFFAOYSA-N 1 0 312.404 3.072 20 10 DGCDRO CN(C1CC1)[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112691 1092618093 /nfs/dbraw/zinc/61/80/93/1092618093.db2.gz YEZQCOWJYOHGSI-INIZCTEOSA-N 1 0 302.462 3.358 20 10 DGCDRO C[N@H+](Cc1cccc(C(C)(C)C)c1O)[C@H]1CCC2(C1)OCCO2 ZINC001143117155 1092618407 /nfs/dbraw/zinc/61/84/07/1092618407.db2.gz VSVJMBDJCYBNEW-HNNXBMFYSA-N 1 0 319.445 3.417 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)cc1 ZINC001209516132 1092803045 /nfs/dbraw/zinc/80/30/45/1092803045.db2.gz AODRQUORPVJPFD-ZWKOTPCHSA-N 1 0 316.420 3.246 20 10 DGCDRO COc1ccc(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)c(O)c1 ZINC000179950456 1093824534 /nfs/dbraw/zinc/82/45/34/1093824534.db2.gz KTELWYBTHRWHSV-AWEZNQCLSA-N 1 0 315.413 3.472 20 10 DGCDRO CC(C)C[NH2+]Cc1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001215745576 1094046379 /nfs/dbraw/zinc/04/63/79/1094046379.db2.gz VWLHFKNCMQCXBM-UHFFFAOYSA-N 1 0 313.445 3.145 20 10 DGCDRO Cc1cccc2c1[C@H](Oc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001218037485 1094572396 /nfs/dbraw/zinc/57/23/96/1094572396.db2.gz ALXFHWKXHILFHP-LJQANCHMSA-N 1 0 308.425 3.471 20 10 DGCDRO O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C(OC2C[NH2+]C2)=C1 ZINC001218052287 1094578538 /nfs/dbraw/zinc/57/85/38/1094578538.db2.gz GMTWQLBOHDZVCS-ISLYRVAYSA-N 1 0 314.301 3.066 20 10 DGCDRO C[C@@H](CCc1ccccc1)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218289233 1094699424 /nfs/dbraw/zinc/69/94/24/1094699424.db2.gz LOKHFUASLGCWIQ-KRWDZBQOSA-N 1 0 310.441 3.496 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1OC ZINC001337001247 1094809833 /nfs/dbraw/zinc/80/98/33/1094809833.db2.gz PRFLRGPQNNTEQM-KBPBESRZSA-N 1 0 305.418 3.422 20 10 DGCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)C3([NH3+])CC3)cc2)cc1 ZINC001219203884 1094951304 /nfs/dbraw/zinc/95/13/04/1094951304.db2.gz PNPYEVQCUOJQFY-ONEGZZNKSA-N 1 0 321.424 3.353 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000314705429 1095062608 /nfs/dbraw/zinc/06/26/08/1095062608.db2.gz JZZURUNKHNMUHH-MELADBBJSA-N 1 0 304.434 3.143 20 10 DGCDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116032462 1095441748 /nfs/dbraw/zinc/44/17/48/1095441748.db2.gz JSZVZRUJCKWTJO-RBUKOAKNSA-N 1 0 301.478 3.249 20 10 DGCDRO Oc1ccc(F)c(F)c1CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222171413 1095476377 /nfs/dbraw/zinc/47/63/77/1095476377.db2.gz BJJNKZJTYJDEGE-GOSISDBHSA-N 1 0 324.415 3.416 20 10 DGCDRO CCCC[C@H](CC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001123957414 1095494265 /nfs/dbraw/zinc/49/42/65/1095494265.db2.gz PJQPTQRWDWHYAN-KRWDZBQOSA-N 1 0 320.477 3.426 20 10 DGCDRO CCCC[C@@H](CC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001123957416 1095494301 /nfs/dbraw/zinc/49/43/01/1095494301.db2.gz PJQPTQRWDWHYAN-QGZVFWFLSA-N 1 0 320.477 3.426 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222252875 1095513319 /nfs/dbraw/zinc/51/33/19/1095513319.db2.gz LIJPAKBIYWFVEX-LJQANCHMSA-N 1 0 302.462 3.408 20 10 DGCDRO Oc1c(CN2CCC[C@]23CCC[NH2+]C3)cccc1C(F)(F)F ZINC001222253200 1095513452 /nfs/dbraw/zinc/51/34/52/1095513452.db2.gz NZPWPMAKVQZEEW-HNNXBMFYSA-N 1 0 314.351 3.129 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2[nH]nc3ccc(F)cc32)cc1 ZINC001144200853 1095553475 /nfs/dbraw/zinc/55/34/75/1095553475.db2.gz NLSYDHBZMPBJKI-UHFFFAOYSA-N 1 0 312.392 3.400 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CC3(C2)CCC[NH2+]C3)cc1 ZINC001222335469 1095556433 /nfs/dbraw/zinc/55/64/33/1095556433.db2.gz PTUXHERDYKGLIH-UHFFFAOYSA-N 1 0 309.457 3.280 20 10 DGCDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001116444984 1095557009 /nfs/dbraw/zinc/55/70/09/1095557009.db2.gz KPTWBHNDRFFBDG-CVEARBPZSA-N 1 0 319.468 3.198 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](Cc2ccccc2)[C@H](C)CO)c1 ZINC001116445349 1095557701 /nfs/dbraw/zinc/55/77/01/1095557701.db2.gz QYRMVZVAPJMSPW-OAHLLOKOSA-N 1 0 315.413 3.174 20 10 DGCDRO FC(F)Oc1ccc(N2CCC[C@H](Nc3cc[nH+]cc3)C2)cc1 ZINC001339450795 1095628028 /nfs/dbraw/zinc/62/80/28/1095628028.db2.gz KTKVALNKVAHYBP-AWEZNQCLSA-N 1 0 319.355 3.186 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccccc1O ZINC001116674229 1095630585 /nfs/dbraw/zinc/63/05/85/1095630585.db2.gz WDYFKAUSHVDCAP-HOCLYGCPSA-N 1 0 304.434 3.082 20 10 DGCDRO C[N@H+](Cc1cc(F)cc(F)c1)Cc1cc2c(cc1O)OCO2 ZINC001116797772 1095663158 /nfs/dbraw/zinc/66/31/58/1095663158.db2.gz XLMBNBQXNFPJBB-UHFFFAOYSA-N 1 0 307.296 3.031 20 10 DGCDRO Oc1cccc(Cl)c1CN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222563972 1095669161 /nfs/dbraw/zinc/66/91/61/1095669161.db2.gz SDWJKVZWGINUSD-YOEHRIQHSA-N 1 0 314.816 3.117 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001144500313 1095689355 /nfs/dbraw/zinc/68/93/55/1095689355.db2.gz RWMKRMJRXSRGAS-HNNXBMFYSA-N 1 0 303.333 3.280 20 10 DGCDRO CCc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(O)c1 ZINC001222610271 1095691693 /nfs/dbraw/zinc/69/16/93/1095691693.db2.gz WOWDOMGBGOGHIU-LJQANCHMSA-N 1 0 322.452 3.144 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2F)c(O)c1 ZINC001144509289 1095697845 /nfs/dbraw/zinc/69/78/45/1095697845.db2.gz RVSWBHZUOJQYHE-OAHLLOKOSA-N 1 0 303.333 3.280 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)c(O)c1 ZINC001144514732 1095701002 /nfs/dbraw/zinc/70/10/02/1095701002.db2.gz QBQYOBNEYMAZKA-NSHDSACASA-N 1 0 319.788 3.446 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCSC(C)C)CC2)cc1 ZINC001117135589 1095718289 /nfs/dbraw/zinc/71/82/89/1095718289.db2.gz QONIRUCNDVDMQY-UHFFFAOYSA-N 1 0 308.491 3.349 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC001117671849 1095795034 /nfs/dbraw/zinc/79/50/34/1095795034.db2.gz RBEAXLQTMORERM-CJNGLKHVSA-N 1 0 324.424 3.067 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCOC1CCOCC1 ZINC001340134615 1095878685 /nfs/dbraw/zinc/87/86/85/1095878685.db2.gz WWSAYRJYFZXSAD-ZFWWWQNUSA-N 1 0 305.418 3.034 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC001138157308 1095909035 /nfs/dbraw/zinc/90/90/35/1095909035.db2.gz AYGVHJCZYOSXAC-UHFFFAOYSA-N 1 0 311.410 3.402 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001118287436 1095976143 /nfs/dbraw/zinc/97/61/43/1095976143.db2.gz ZLMAPVQOIUNTHB-QZTJIDSGSA-N 1 0 317.477 3.009 20 10 DGCDRO CCCC[C@@](C)(CO)[NH2+]Cc1ccc(Br)cc1O ZINC001118640293 1096051395 /nfs/dbraw/zinc/05/13/95/1096051395.db2.gz HNUQRERESGSWSL-AWEZNQCLSA-N 1 0 316.239 3.186 20 10 DGCDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC001118577315 1096040540 /nfs/dbraw/zinc/04/05/40/1096040540.db2.gz MSRZMHAMUJBAES-GXFFZTMASA-N 1 0 316.239 3.041 20 10 DGCDRO COc1ccc(N2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001276925074 1096078270 /nfs/dbraw/zinc/07/82/70/1096078270.db2.gz UUBQQYIYEBAOHI-UHFFFAOYSA-N 1 0 311.429 3.126 20 10 DGCDRO COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001118808636 1096082576 /nfs/dbraw/zinc/08/25/76/1096082576.db2.gz UMCVOWNKJSXZIQ-KWCYVHTRSA-N 1 0 301.386 3.100 20 10 DGCDRO Cc1cccc([C@H](O)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001118853166 1096091967 /nfs/dbraw/zinc/09/19/67/1096091967.db2.gz YABQYMLHUPILIG-GOSISDBHSA-N 1 0 320.383 3.162 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)CC(C)C)cc1C ZINC001147080411 1096165372 /nfs/dbraw/zinc/16/53/72/1096165372.db2.gz IJMXMAMQUOROKZ-UHFFFAOYSA-N 1 0 320.477 3.282 20 10 DGCDRO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc(C)cc3O)C2)cc1 ZINC001119450449 1096204617 /nfs/dbraw/zinc/20/46/17/1096204617.db2.gz JAHCEUIPUQZYNC-QGZVFWFLSA-N 1 0 310.397 3.292 20 10 DGCDRO C[C@H]1C[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CN1Cc1ccccc1 ZINC001171760229 1096963573 /nfs/dbraw/zinc/96/35/73/1096963573.db2.gz SHMHSXMWYXAXTN-QFBILLFUSA-N 1 0 322.452 3.413 20 10 DGCDRO C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CN1Cc1ccccc1 ZINC001171760693 1096965662 /nfs/dbraw/zinc/96/56/62/1096965662.db2.gz ZKSFKRHLBZHIGH-LPHOPBHVSA-N 1 0 310.441 3.487 20 10 DGCDRO CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC001171941209 1097013473 /nfs/dbraw/zinc/01/34/73/1097013473.db2.gz MHZFWAVOTYZREK-UHFFFAOYSA-N 1 0 318.461 3.354 20 10 DGCDRO CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001172322040 1097100750 /nfs/dbraw/zinc/10/07/50/1097100750.db2.gz RGEMUVZVNYOFFU-IRXDYDNUSA-N 1 0 320.477 3.207 20 10 DGCDRO CCOCC[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC001172419915 1097135198 /nfs/dbraw/zinc/13/51/98/1097135198.db2.gz NQWXOPODTFZGKF-JTQLQIEISA-N 1 0 302.212 3.059 20 10 DGCDRO CC(C)OCC[C@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001172439452 1097153900 /nfs/dbraw/zinc/15/39/00/1097153900.db2.gz DTPNZDDZZKINCI-INIZCTEOSA-N 1 0 320.477 3.150 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H](C)CCOC(C)C)CC2)c(C)c1 ZINC001172453944 1097158792 /nfs/dbraw/zinc/15/87/92/1097158792.db2.gz HSZYWTOYKMONPD-KRWDZBQOSA-N 1 0 320.477 3.329 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H](C)CCOC(C)C)CC2)c(C)c1 ZINC001172453945 1097158919 /nfs/dbraw/zinc/15/89/19/1097158919.db2.gz HSZYWTOYKMONPD-QGZVFWFLSA-N 1 0 320.477 3.329 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001172797520 1097253452 /nfs/dbraw/zinc/25/34/52/1097253452.db2.gz IDLDQVIEIHDTCH-CABCVRRESA-N 1 0 305.418 3.221 20 10 DGCDRO CCSC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001173316845 1097427552 /nfs/dbraw/zinc/42/75/52/1097427552.db2.gz ZETRTXUNDMBDIF-OAHLLOKOSA-N 1 0 308.491 3.267 20 10 DGCDRO CCN1CC[C@H]([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)C1 ZINC001173355941 1097430136 /nfs/dbraw/zinc/43/01/36/1097430136.db2.gz COZITNMHZZZLPI-KBXCAEBGSA-N 1 0 302.462 3.316 20 10 DGCDRO CCN1CC[C@H]([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)C1 ZINC001173355946 1097431111 /nfs/dbraw/zinc/43/11/11/1097431111.db2.gz COZITNMHZZZLPI-KSSFIOAISA-N 1 0 302.462 3.316 20 10 DGCDRO CCN1CC[C@@H]([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)C1 ZINC001173355944 1097431275 /nfs/dbraw/zinc/43/12/75/1097431275.db2.gz COZITNMHZZZLPI-KDOFPFPSSA-N 1 0 302.462 3.316 20 10 DGCDRO Nc1ccc(OCCOc2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC001173884227 1097546855 /nfs/dbraw/zinc/54/68/55/1097546855.db2.gz CXSLGOXCVHAKHR-UHFFFAOYSA-N 1 0 321.380 3.287 20 10 DGCDRO COc1cc(Br)c(O)c(Nc2cc[nH+]cc2C)c1 ZINC001174539689 1097749315 /nfs/dbraw/zinc/74/93/15/1097749315.db2.gz PUADCKGQFFQJSL-UHFFFAOYSA-N 1 0 309.163 3.032 20 10 DGCDRO COc1ccc(Br)c(C[NH+]2CCC(F)CC2)c1O ZINC001231547898 1097777927 /nfs/dbraw/zinc/77/79/27/1097777927.db2.gz KUMBILXXZZRFHT-UHFFFAOYSA-N 1 0 318.186 3.097 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001231587791 1097785404 /nfs/dbraw/zinc/78/54/04/1097785404.db2.gz ZCNBPELOBIDFPA-ZBFHGGJFSA-N 1 0 305.324 3.011 20 10 DGCDRO Cc1cccc(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)c1O ZINC001231591448 1097787266 /nfs/dbraw/zinc/78/72/66/1097787266.db2.gz CWYYDWWLVYWJFY-UHFFFAOYSA-N 1 0 322.408 3.187 20 10 DGCDRO Cc1cccc(O[C@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC001231594917 1097788662 /nfs/dbraw/zinc/78/86/62/1097788662.db2.gz NENVNMBEBDHVCU-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c(O)c1 ZINC001231841382 1097859913 /nfs/dbraw/zinc/85/99/13/1097859913.db2.gz APYXMHIJWBLXQD-UHFFFAOYSA-N 1 0 311.372 3.399 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001231841652 1097860694 /nfs/dbraw/zinc/86/06/94/1097860694.db2.gz CRNWWTAXTOXIEB-WFASDCNBSA-N 1 0 317.351 3.144 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)c(O)c1 ZINC001231847488 1097861933 /nfs/dbraw/zinc/86/19/33/1097861933.db2.gz YXRPLVABBJKZFP-UHFFFAOYSA-N 1 0 322.452 3.327 20 10 DGCDRO Cc1cc(C)c(C[N@H+](C)CCCC(=O)c2cccnc2)c(O)c1 ZINC001231845548 1097862050 /nfs/dbraw/zinc/86/20/50/1097862050.db2.gz AEHBWCWCXLOBQL-UHFFFAOYSA-N 1 0 312.413 3.499 20 10 DGCDRO Cc1cc(C)c(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c(O)c1 ZINC001231844749 1097862470 /nfs/dbraw/zinc/86/24/70/1097862470.db2.gz OZQHSUZVQSMURR-UHFFFAOYSA-N 1 0 322.449 3.356 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCc3cnc(C4CC4)nc3C2)c(O)c1 ZINC001231850204 1097863146 /nfs/dbraw/zinc/86/31/46/1097863146.db2.gz LRQJXEYNXNQONK-UHFFFAOYSA-N 1 0 309.413 3.235 20 10 DGCDRO Cc1cc(C)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c(O)c1 ZINC001231848358 1097864005 /nfs/dbraw/zinc/86/40/05/1097864005.db2.gz GRRJFVYCCOJDTN-IRXDYDNUSA-N 1 0 306.425 3.017 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001231854078 1097864781 /nfs/dbraw/zinc/86/47/81/1097864781.db2.gz YNOXLAJMFGHQFQ-INIZCTEOSA-N 1 0 311.429 3.146 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2OC)c1 ZINC001231852984 1097865359 /nfs/dbraw/zinc/86/53/59/1097865359.db2.gz QGBNBEWZPLMNHC-UHFFFAOYSA-N 1 0 314.429 3.402 20 10 DGCDRO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)no1 ZINC001231867583 1097870053 /nfs/dbraw/zinc/87/00/53/1097870053.db2.gz MWLSUMSBARATSW-GFCCVEGCSA-N 1 0 321.808 3.425 20 10 DGCDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc2ccccc2c1O ZINC001231879260 1097876834 /nfs/dbraw/zinc/87/68/34/1097876834.db2.gz XXBBZGNQYYSUHA-HXUWFJFHSA-N 1 0 324.424 3.132 20 10 DGCDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231883877 1097879392 /nfs/dbraw/zinc/87/93/92/1097879392.db2.gz RYSMKJPWHZVFGV-UKPHBRMFSA-N 1 0 311.381 3.071 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)no1 ZINC001231914182 1097892110 /nfs/dbraw/zinc/89/21/10/1097892110.db2.gz HBKORNZVRWXLTL-UHFFFAOYSA-N 1 0 321.808 3.371 20 10 DGCDRO Clc1cc(C[NH+]2C3CCC2CC3)ccc1N1CCOCC1 ZINC001232202934 1097964087 /nfs/dbraw/zinc/96/40/87/1097964087.db2.gz IQLRXTFAUBKNHT-UHFFFAOYSA-N 1 0 306.837 3.303 20 10 DGCDRO Oc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1Cl ZINC001232257946 1097983977 /nfs/dbraw/zinc/98/39/77/1097983977.db2.gz NERYHSUSBWQLAR-AOOOYVTPSA-N 1 0 303.736 3.228 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc1Cl ZINC001232261052 1097984286 /nfs/dbraw/zinc/98/42/86/1097984286.db2.gz AQNFIDFWBAXBDN-LBPRGKRZSA-N 1 0 304.777 3.136 20 10 DGCDRO COc1ccc(N2CC[NH+](CCC=C(C)C)CC2)c(OC)c1 ZINC001175522745 1098081596 /nfs/dbraw/zinc/08/15/96/1098081596.db2.gz LOEVTICFAZWLDC-UHFFFAOYSA-N 1 0 304.434 3.182 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(C(C)(C)O)nc2)cc1 ZINC001232827648 1098145809 /nfs/dbraw/zinc/14/58/09/1098145809.db2.gz KVJGQXIVQLENRV-UHFFFAOYSA-N 1 0 313.445 3.007 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)c(OC)cc1C ZINC001232835614 1098148265 /nfs/dbraw/zinc/14/82/65/1098148265.db2.gz GBDFSIKZZGRYCB-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CC[N@H+](Cc1ccc(OC(F)F)nc1)Cc1ccccc1O ZINC001232957460 1098182831 /nfs/dbraw/zinc/18/28/31/1098182831.db2.gz LVZBCKGYROCABF-UHFFFAOYSA-N 1 0 308.328 3.411 20 10 DGCDRO Oc1cc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc(O)c1O ZINC001233012074 1098204100 /nfs/dbraw/zinc/20/41/00/1098204100.db2.gz IUOTVEZUJJRIEF-HNNXBMFYSA-N 1 0 313.397 3.258 20 10 DGCDRO C[N@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCC2(C1)OCCO2 ZINC001233286770 1098276340 /nfs/dbraw/zinc/27/63/40/1098276340.db2.gz ILALFPIGLHFYOA-INIZCTEOSA-N 1 0 319.445 3.417 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC3(CCC(=O)O3)CC2)c1 ZINC001233286327 1098276862 /nfs/dbraw/zinc/27/68/62/1098276862.db2.gz OTJZIMODBHMAHN-UHFFFAOYSA-N 1 0 317.429 3.361 20 10 DGCDRO CC1([NH+]2CCCC2)CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233336203 1098293921 /nfs/dbraw/zinc/29/39/21/1098293921.db2.gz CDTZVRRZGKPXDK-UHFFFAOYSA-N 1 0 310.388 3.121 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2N)cc1 ZINC001233382267 1098308088 /nfs/dbraw/zinc/30/80/88/1098308088.db2.gz NYFIPYZOCJQKQZ-UHFFFAOYSA-N 1 0 305.372 3.245 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2c[nH]c(Br)c2)cc1 ZINC001233438662 1098332730 /nfs/dbraw/zinc/33/27/30/1098332730.db2.gz ZMCVOZJYYDZCDM-UHFFFAOYSA-N 1 0 322.250 3.475 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(C(F)(F)F)cc2O)[C@](C)(CO)C1 ZINC001233452423 1098337913 /nfs/dbraw/zinc/33/79/13/1098337913.db2.gz WBGQNOILKWLQLP-HNNXBMFYSA-N 1 0 317.351 3.394 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@]1(C)O ZINC001233452347 1098337958 /nfs/dbraw/zinc/33/79/58/1098337958.db2.gz SNSFAAIFNNEGJP-YGRLFVJLSA-N 1 0 303.324 3.004 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@@]1(C)O ZINC001233452291 1098338261 /nfs/dbraw/zinc/33/82/61/1098338261.db2.gz QRVFQJPIAWZJRK-QMTHXVAHSA-N 1 0 303.324 3.004 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001233452263 1098338988 /nfs/dbraw/zinc/33/89/88/1098338988.db2.gz PJQOFSSSKQLOGN-UHFFFAOYSA-N 1 0 301.308 3.023 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001233454012 1098340959 /nfs/dbraw/zinc/34/09/59/1098340959.db2.gz CKZRWQLZMLXJEX-UHFFFAOYSA-N 1 0 315.335 3.414 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001233454741 1098341635 /nfs/dbraw/zinc/34/16/35/1098341635.db2.gz ISBOTWWZUIEQJH-FZMZJTMJSA-N 1 0 301.308 3.022 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1O ZINC001233486555 1098348253 /nfs/dbraw/zinc/34/82/53/1098348253.db2.gz RGSUYPPGERXEDP-GFCCVEGCSA-N 1 0 319.788 3.446 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCC1=O ZINC001233727116 1098416480 /nfs/dbraw/zinc/41/64/80/1098416480.db2.gz IXLWUBZCHMPYDZ-JTQLQIEISA-N 1 0 317.307 3.092 20 10 DGCDRO CC(C)[C@@H]1COCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233760115 1098424038 /nfs/dbraw/zinc/42/40/38/1098424038.db2.gz CEFBPHJAXYTNEX-LBPRGKRZSA-N 1 0 319.323 3.148 20 10 DGCDRO CC1(C)C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCCO1 ZINC001233761098 1098424965 /nfs/dbraw/zinc/42/49/65/1098424965.db2.gz PTVZBGMSQRSTHD-UHFFFAOYSA-N 1 0 319.323 3.292 20 10 DGCDRO CC(C)N(CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC001177061043 1098469179 /nfs/dbraw/zinc/46/91/79/1098469179.db2.gz GVQZUTXHVBSNPS-UHFFFAOYSA-N 1 0 302.821 3.393 20 10 DGCDRO CN(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC001177066376 1098470076 /nfs/dbraw/zinc/47/00/76/1098470076.db2.gz WADKDDSSWYTYCB-LJQANCHMSA-N 1 0 310.441 3.404 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2nc(C)cs2)ccc1OC ZINC001177225667 1098497548 /nfs/dbraw/zinc/49/75/48/1098497548.db2.gz HTERDWLWZDAUPM-UHFFFAOYSA-N 1 0 320.458 3.329 20 10 DGCDRO FC1(F)Oc2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2O1 ZINC001177586947 1098559227 /nfs/dbraw/zinc/55/92/27/1098559227.db2.gz PFVWZFPJAGTGII-UHFFFAOYSA-N 1 0 319.307 3.233 20 10 DGCDRO CCN1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC001234519355 1098577751 /nfs/dbraw/zinc/57/77/51/1098577751.db2.gz VUJUDLBVQUGXNA-UHFFFAOYSA-N 1 0 314.429 3.082 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)C3CCOCC3)c2c1 ZINC001234518847 1098577815 /nfs/dbraw/zinc/57/78/15/1098577815.db2.gz OSRMLXUCPUUNIG-UHFFFAOYSA-N 1 0 301.386 3.165 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4OCC[C@H]4C3)c2c1 ZINC001234562075 1098600358 /nfs/dbraw/zinc/60/03/58/1098600358.db2.gz GIGWESMNQXTRSY-LIRRHRJNSA-N 1 0 313.397 3.165 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)C(F)(F)F)cc2)CC1 ZINC001234658263 1098634451 /nfs/dbraw/zinc/63/44/51/1098634451.db2.gz YVJFNIANYQKANP-LBPRGKRZSA-N 1 0 302.340 3.158 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCc4cccnc43)cc2)CC1 ZINC001234658167 1098634539 /nfs/dbraw/zinc/63/45/39/1098634539.db2.gz WEAKVXMHFGJCIE-IBGZPJMESA-N 1 0 323.440 3.290 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)c3ccncc3)cc2)CC1 ZINC001234657572 1098635064 /nfs/dbraw/zinc/63/50/64/1098635064.db2.gz FECBOXMGEPPFIW-MRXNPFEDSA-N 1 0 311.429 3.364 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1C ZINC001178295472 1098778974 /nfs/dbraw/zinc/77/89/74/1098778974.db2.gz QZEVRBCAFYFJFR-UHFFFAOYSA-N 1 0 316.357 3.210 20 10 DGCDRO Cc1cc(CN2CCC[C@]23CC[NH2+]C3)c(C)n1-c1ccccc1 ZINC001235110336 1098810534 /nfs/dbraw/zinc/81/05/34/1098810534.db2.gz KQJUQLIVJWGNAV-HXUWFJFHSA-N 1 0 309.457 3.422 20 10 DGCDRO O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001178469130 1098843224 /nfs/dbraw/zinc/84/32/24/1098843224.db2.gz JQJMWCLKAKMZKH-IBGZPJMESA-N 1 0 311.425 3.095 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CO)CC2CCCC2)cc1 ZINC001178571824 1098876889 /nfs/dbraw/zinc/87/68/89/1098876889.db2.gz ZFWNODOFPFQOHO-GNJLHFKMSA-N 1 0 302.462 3.297 20 10 DGCDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001178610031 1098887278 /nfs/dbraw/zinc/88/72/78/1098887278.db2.gz NELSZHUGNHGJHG-UHFFFAOYSA-N 1 0 312.369 3.252 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235241065 1098913964 /nfs/dbraw/zinc/91/39/64/1098913964.db2.gz RGWJJODWJBINOO-UYAOXDASSA-N 1 0 309.457 3.407 20 10 DGCDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001235248348 1098920802 /nfs/dbraw/zinc/92/08/02/1098920802.db2.gz QYYNWTQYZXUSJE-QMTHXVAHSA-N 1 0 301.217 3.012 20 10 DGCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001178852783 1098953335 /nfs/dbraw/zinc/95/33/35/1098953335.db2.gz YLAKGYFHPDBEFH-GOSISDBHSA-N 1 0 309.409 3.413 20 10 DGCDRO CC(C)[C@@H]1CNCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235457935 1099047191 /nfs/dbraw/zinc/04/71/91/1099047191.db2.gz JFWUPMGWUBHUCM-IBGZPJMESA-N 1 0 310.441 3.489 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cncc(OC)c1C ZINC001235473752 1099055718 /nfs/dbraw/zinc/05/57/18/1099055718.db2.gz LFDSACNBTVJRSN-UHFFFAOYSA-N 1 0 313.445 3.487 20 10 DGCDRO Nc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC001235658749 1099110017 /nfs/dbraw/zinc/11/00/17/1099110017.db2.gz BQNRNMKFMFMQNC-UHFFFAOYSA-N 1 0 324.453 3.201 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235678458 1099122697 /nfs/dbraw/zinc/12/26/97/1099122697.db2.gz BPXSAVZGAYYJMZ-CQSZACIVSA-N 1 0 319.445 3.465 20 10 DGCDRO Cc1cc(C[N@H+](C)Cc2ccc(C(C)(C)C)cc2O)n(C)n1 ZINC001235685613 1099126379 /nfs/dbraw/zinc/12/63/79/1099126379.db2.gz SSEKPQZTIZIENS-UHFFFAOYSA-N 1 0 301.434 3.364 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c(O)c1 ZINC001235682493 1099126723 /nfs/dbraw/zinc/12/67/23/1099126723.db2.gz XMNIEGOBWZXDGA-XJKSGUPXSA-N 1 0 301.430 3.491 20 10 DGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CC12CC2 ZINC001235682482 1099127046 /nfs/dbraw/zinc/12/70/46/1099127046.db2.gz XEZMQMBRVOQVHS-HNNXBMFYSA-N 1 0 317.429 3.075 20 10 DGCDRO C[N@H+](CCC1CC[NH2+]CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC001235718032 1099144091 /nfs/dbraw/zinc/14/40/91/1099144091.db2.gz SJAFUTYKRVILDH-UHFFFAOYSA-N 1 0 300.805 3.006 20 10 DGCDRO CO[C@@]1(C[NH2+]Cc2c(C)c3ccccc3n2C)CCSC1 ZINC001179636198 1099162339 /nfs/dbraw/zinc/16/23/39/1099162339.db2.gz BEYKGMUVUWCTJY-QGZVFWFLSA-N 1 0 304.459 3.098 20 10 DGCDRO Oc1cccc(F)c1CN1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001235789096 1099180707 /nfs/dbraw/zinc/18/07/07/1099180707.db2.gz CFRZQFOFOOQFCW-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO Oc1ccc(F)cc1CN1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001235815869 1099194140 /nfs/dbraw/zinc/19/41/40/1099194140.db2.gz PMTBSGOOZSFJDE-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001179849825 1099219746 /nfs/dbraw/zinc/21/97/46/1099219746.db2.gz JXMWGLMWEUHBEK-GFCCVEGCSA-N 1 0 311.809 3.129 20 10 DGCDRO [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236010183 1099332223 /nfs/dbraw/zinc/33/22/23/1099332223.db2.gz RXNXVWGAZIMSCG-UHFFFAOYSA-N 1 0 315.244 3.275 20 10 DGCDRO CCN(Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCC[NH2+]C1 ZINC001236011259 1099335320 /nfs/dbraw/zinc/33/53/20/1099335320.db2.gz WGPNUOLQGFEXMB-OAHLLOKOSA-N 1 0 314.429 3.128 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC001236125670 1099412811 /nfs/dbraw/zinc/41/28/11/1099412811.db2.gz 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DGCDRO Oc1ccc(F)c(Cl)c1CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236602512 1099697726 /nfs/dbraw/zinc/69/77/26/1099697726.db2.gz WPXHYNOCLWDUPP-LLVKDONJSA-N 1 0 312.816 3.149 20 10 DGCDRO C[NH+]1CCC(c2ccc(C(=O)NCc3ccccc3O)cc2)CC1 ZINC001188315827 1099739725 /nfs/dbraw/zinc/73/97/25/1099739725.db2.gz JRCFQAKFMOOHGT-UHFFFAOYSA-N 1 0 324.424 3.131 20 10 DGCDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236761132 1099773958 /nfs/dbraw/zinc/77/39/58/1099773958.db2.gz ACMGXISXIIUZES-AOOOYVTPSA-N 1 0 314.223 3.338 20 10 DGCDRO C[N@H+](CCC1CC1)Cc1cc(O)c(Br)cc1O ZINC001236763253 1099773278 /nfs/dbraw/zinc/77/32/78/1099773278.db2.gz XMBLIWQKGBYJRU-UHFFFAOYSA-N 1 0 300.196 3.092 20 10 DGCDRO Oc1cc(C[N@@H+]2CCC[C@@H](CF)C2)c(O)cc1Br ZINC001236775144 1099777959 /nfs/dbraw/zinc/77/79/59/1099777959.db2.gz KBWCPKOYUAGELG-VIFPVBQESA-N 1 0 318.186 3.042 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)[C@@H]1C ZINC001236774807 1099778765 /nfs/dbraw/zinc/77/87/65/1099778765.db2.gz 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CCCCC[NH+]1CCN(Cc2ccc(OCC)cc2O)CC1 ZINC001237041438 1099940210 /nfs/dbraw/zinc/94/02/10/1099940210.db2.gz JAVUKLSPZLZYBQ-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO COC(=O)C1(C)CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237053985 1099946709 /nfs/dbraw/zinc/94/67/09/1099946709.db2.gz SEJVDPAZGAAQNB-UHFFFAOYSA-N 1 0 305.418 3.291 20 10 DGCDRO CC(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccncc3)C2)c(O)c1 ZINC001237056785 1099947593 /nfs/dbraw/zinc/94/75/93/1099947593.db2.gz ZOMRHBFEVAHHIH-IBGZPJMESA-N 1 0 312.413 3.484 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@@](C)(C[NH3+])C2)c(OC)c1 ZINC001237056742 1099948810 /nfs/dbraw/zinc/94/88/10/1099948810.db2.gz JJAWMIKKKDZEKR-IBGZPJMESA-N 1 0 319.493 3.102 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C2)c(Br)c1 ZINC001237065487 1099952034 /nfs/dbraw/zinc/95/20/34/1099952034.db2.gz PKGODWSNYSFBRB-VIFPVBQESA-N 1 0 300.196 3.005 20 10 DGCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3c(O)ccc(Cl)c3Cl)C[C@@H]21 ZINC001237084619 1099962028 /nfs/dbraw/zinc/96/20/28/1099962028.db2.gz MFKHFLIYQXIIGS-MFKMUULPSA-N 1 0 315.244 3.225 20 10 DGCDRO CCOC1CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237112017 1099976350 /nfs/dbraw/zinc/97/63/50/1099976350.db2.gz YAEFNSMAFLYGPO-UHFFFAOYSA-N 1 0 319.323 3.292 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001237114467 1099976666 /nfs/dbraw/zinc/97/66/66/1099976666.db2.gz LWGKQZSCECTXQA-AWEZNQCLSA-N 1 0 317.307 3.046 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001237120301 1099982050 /nfs/dbraw/zinc/98/20/50/1099982050.db2.gz AWPGQPAHWLMKSC-UHFFFAOYSA-N 1 0 324.827 3.102 20 10 DGCDRO CCN(CC)c1ccc(CN2CC(F)(F)CC[C@@H]2C[NH3+])cc1 ZINC001237132621 1099987579 /nfs/dbraw/zinc/98/75/79/1099987579.db2.gz RCPDIJBVWBQTML-MRXNPFEDSA-N 1 0 311.420 3.091 20 10 DGCDRO CCCO[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138442 1099989297 /nfs/dbraw/zinc/98/92/97/1099989297.db2.gz DAOKADJDKWICHB-CYBMUJFWSA-N 1 0 303.324 3.412 20 10 DGCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000691679198 1100034586 /nfs/dbraw/zinc/03/45/86/1100034586.db2.gz PQJPIFMWAITZHR-ZDUSSCGKSA-N 1 0 314.223 3.156 20 10 DGCDRO COCC(C)(C)[N@H+](C)Cc1ccc(Br)cc1O ZINC000691679205 1100034681 /nfs/dbraw/zinc/03/46/81/1100034681.db2.gz PVLHFLJJFRHIKY-UHFFFAOYSA-N 1 0 302.212 3.012 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC2(CC1)NCCc1ccccc12 ZINC001237274853 1100054007 /nfs/dbraw/zinc/05/40/07/1100054007.db2.gz GCGZMTHBJQFWMD-UHFFFAOYSA-N 1 0 308.425 3.029 20 10 DGCDRO COc1cccc(C[NH+]2CCC3(Cc4ccccc4N3)CC2)c1O ZINC001237333672 1100082542 /nfs/dbraw/zinc/08/25/42/1100082542.db2.gz OKXVSXLBAPAVMW-UHFFFAOYSA-N 1 0 324.424 3.404 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001237487398 1100139470 /nfs/dbraw/zinc/13/94/70/1100139470.db2.gz IMEFGYRMDOYEAH-UHFFFAOYSA-N 1 0 320.433 3.047 20 10 DGCDRO Cc1cccc(OC2CC[NH+](Cc3c(C)cccc3O)CC2)n1 ZINC001237493582 1100143645 /nfs/dbraw/zinc/14/36/45/1100143645.db2.gz CIYAQXOFXVDRPT-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1c(C)cccc1O ZINC001237491102 1100143757 /nfs/dbraw/zinc/14/37/57/1100143757.db2.gz GTRFVJBMBVMQNK-UHFFFAOYSA-N 1 0 308.422 3.047 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(C)cccc2O)C[C@@H]1C ZINC001237494451 1100144884 /nfs/dbraw/zinc/14/48/84/1100144884.db2.gz IVUCOADPOABYAA-LSDHHAIUSA-N 1 0 305.418 3.112 20 10 DGCDRO Cc1cccc(O)c1CN1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001237495210 1100145060 /nfs/dbraw/zinc/14/50/60/1100145060.db2.gz NHBGKXQHIMCKRH-INIZCTEOSA-N 1 0 310.388 3.006 20 10 DGCDRO CC[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)C1COC1 ZINC001237645741 1100201297 /nfs/dbraw/zinc/20/12/97/1100201297.db2.gz JWJAHFLPMLWSKB-UHFFFAOYSA-N 1 0 301.361 3.419 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccccn2)cc1Br ZINC001237676207 1100210439 /nfs/dbraw/zinc/21/04/39/1100210439.db2.gz HCCSQJCNWLVSBN-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(F)CC2)cc1Br ZINC001237677415 1100211505 /nfs/dbraw/zinc/21/15/05/1100211505.db2.gz MTAGKGVTRRMSFJ-UHFFFAOYSA-N 1 0 302.187 3.397 20 10 DGCDRO Cc1cc(O)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1Br ZINC001237681256 1100212423 /nfs/dbraw/zinc/21/24/23/1100212423.db2.gz PZWPVUGEYYYVBX-GAFUQQFSSA-N 1 0 314.198 3.253 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c(OC)c1 ZINC001237678679 1100212907 /nfs/dbraw/zinc/21/29/07/1100212907.db2.gz QTORXUUDUHVIQU-KGLIPLIRSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1cc(C[N@@H+]2CCc3cc(C)ccc3C2)c(O)c(OC)c1 ZINC001237684806 1100215360 /nfs/dbraw/zinc/21/53/60/1100215360.db2.gz RWQNVWUOJXDCQE-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cccc(-c3ccccn3)n1)CC2 ZINC001237839396 1100265671 /nfs/dbraw/zinc/26/56/71/1100265671.db2.gz YSNOOJHESHPKSZ-UHFFFAOYSA-N 1 0 317.392 3.408 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1COC(C)(C)O1 ZINC001190437353 1100273636 /nfs/dbraw/zinc/27/36/36/1100273636.db2.gz XPRCPKIPBNIIEO-QGZVFWFLSA-N 1 0 306.450 3.115 20 10 DGCDRO COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+](C)Cc1ccccc1O ZINC001237884684 1100282587 /nfs/dbraw/zinc/28/25/87/1100282587.db2.gz 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CCCCCC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001201756345 1102716681 /nfs/dbraw/zinc/71/66/81/1102716681.db2.gz KGAKUONVIRRRKV-UHFFFAOYSA-N 1 0 306.450 3.406 20 10 DGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)ccc2O)[C@H](C)O1 ZINC000686512208 1103048756 /nfs/dbraw/zinc/04/87/56/1103048756.db2.gz NWYRPXWOQCSKDM-VWYCJHECSA-N 1 0 314.223 3.058 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](CCO)C1CCOCC1 ZINC001325506486 1103054896 /nfs/dbraw/zinc/05/48/96/1103054896.db2.gz PZNZITIEBGZUJG-FVQBIDKESA-N 1 0 319.445 3.016 20 10 DGCDRO [NH3+]CCOc1ccc(NCc2ccc(N3CCCC3)cc2)cc1 ZINC001325628414 1103084245 /nfs/dbraw/zinc/08/42/45/1103084245.db2.gz ZWXHUUBKLLCWOL-UHFFFAOYSA-N 1 0 311.429 3.236 20 10 DGCDRO CO[C@H](C)C[N@H+](Cc1cc(Br)ccc1O)C(C)C ZINC000688093897 1103197732 /nfs/dbraw/zinc/19/77/32/1103197732.db2.gz FPUVZTSYXTUWAH-LLVKDONJSA-N 1 0 316.239 3.400 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC001326216900 1103236279 /nfs/dbraw/zinc/23/62/79/1103236279.db2.gz 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COc1ccc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)cn1 ZINC001328788978 1104071932 /nfs/dbraw/zinc/07/19/32/1104071932.db2.gz JNKDIDHJTAZNIY-PLNGDYQASA-N 1 0 311.429 3.002 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC001329755012 1104380208 /nfs/dbraw/zinc/38/02/08/1104380208.db2.gz PGSHFRLEBQCVIZ-UHOFOFEASA-N 1 0 322.408 3.402 20 10 DGCDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001329823113 1104395266 /nfs/dbraw/zinc/39/52/66/1104395266.db2.gz IEVZHACWNKCGQF-LJQANCHMSA-N 1 0 302.462 3.414 20 10 DGCDRO CCOC(=O)c1ccc(C[C@H](C)[NH2+]Cc2ccc(N)cc2)cc1 ZINC001246170543 1104417451 /nfs/dbraw/zinc/41/74/51/1104417451.db2.gz MTEVFBJFQZAPTR-AWEZNQCLSA-N 1 0 312.413 3.166 20 10 DGCDRO FC(F)[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001330702026 1104623377 /nfs/dbraw/zinc/62/33/77/1104623377.db2.gz PZTLRTGXUBXXEL-MRXNPFEDSA-N 1 0 310.388 3.143 20 10 DGCDRO CC[C@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001275204028 1104674423 /nfs/dbraw/zinc/67/44/23/1104674423.db2.gz 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1105740079 /nfs/dbraw/zinc/74/00/79/1105740079.db2.gz DKYAKNUCVPCRNK-KRWDZBQOSA-N 1 0 320.477 3.370 20 10 DGCDRO CCCC[C@H](CC)COC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC001253010739 1105876443 /nfs/dbraw/zinc/87/64/43/1105876443.db2.gz WIPLQZIMOKSQEX-FUHWJXTLSA-N 1 0 323.477 3.418 20 10 DGCDRO OC[C@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCc2ccccc21 ZINC001253279409 1105918716 /nfs/dbraw/zinc/91/87/16/1105918716.db2.gz FFVJAWHJFJCNQM-OAQYLSRUSA-N 1 0 322.452 3.210 20 10 DGCDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001254019989 1106010181 /nfs/dbraw/zinc/01/01/81/1106010181.db2.gz ZYAUFZWHLRXDGO-GOSISDBHSA-N 1 0 324.472 3.085 20 10 DGCDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1 ZINC001254544899 1106099779 /nfs/dbraw/zinc/09/97/79/1106099779.db2.gz YUHQQCWZNZXUKO-AWEZNQCLSA-N 1 0 313.401 3.382 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC001254581215 1106108595 /nfs/dbraw/zinc/10/85/95/1106108595.db2.gz MKMJAYUBEMTNLC-MRXNPFEDSA-N 1 0 312.369 3.169 20 10 DGCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](C)c1ccccc1O)C2 ZINC001255182336 1106201669 /nfs/dbraw/zinc/20/16/69/1106201669.db2.gz DTTLVPZUQCXXCG-TUVASFSCSA-N 1 0 318.417 3.195 20 10 DGCDRO c1ccn(-c2ccc(-c3nnc([C@@H]4C[NH+]5CCC4CC5)o3)cc2)c1 ZINC001256965950 1106517413 /nfs/dbraw/zinc/51/74/13/1106517413.db2.gz OHQREMAAPKRVCM-QGZVFWFLSA-N 1 0 320.396 3.337 20 10 DGCDRO CCC[C@@H](CC)[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001257266584 1106559289 /nfs/dbraw/zinc/55/92/89/1106559289.db2.gz PGOXHEDCMWSTGC-QGZVFWFLSA-N 1 0 320.477 3.413 20 10 DGCDRO CSCC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001258205819 1106696408 /nfs/dbraw/zinc/69/64/08/1106696408.db2.gz ADEHZLLWVAGKFY-CQSZACIVSA-N 1 0 308.491 3.088 20 10 DGCDRO COCCOc1ccc(N2CC[NH+]([C@@H](C)CC3CC3)CC2)cc1 ZINC001258471895 1106768188 /nfs/dbraw/zinc/76/81/88/1106768188.db2.gz HFXQMWODYWRKRW-INIZCTEOSA-N 1 0 318.461 3.022 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC001320244089 1106937347 /nfs/dbraw/zinc/93/73/47/1106937347.db2.gz AFIREOXIVSEHCE-HOSILWTGSA-N 1 0 300.446 3.464 20 10 DGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320422152 1107001442 /nfs/dbraw/zinc/00/14/42/1107001442.db2.gz BPIVKUYZBMAGMG-MAUKXSAKSA-N 1 0 319.468 3.198 20 10 DGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320422154 1107002653 /nfs/dbraw/zinc/00/26/53/1107002653.db2.gz BPIVKUYZBMAGMG-YJBOKZPZSA-N 1 0 319.468 3.198 20 10 DGCDRO CO[C@H](CC[NH2+]Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001320621385 1107075847 /nfs/dbraw/zinc/07/58/47/1107075847.db2.gz QFDMKFCUOIVVKF-OAHLLOKOSA-N 1 0 316.367 3.344 20 10 DGCDRO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC001320774829 1107133623 /nfs/dbraw/zinc/13/36/23/1107133623.db2.gz IGPWBJNKZUVJQE-OAHLLOKOSA-N 1 0 316.367 3.032 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCC(C)C)cc1C ZINC001317223443 1107147025 /nfs/dbraw/zinc/14/70/25/1107147025.db2.gz BTIPXVWIMBVQIN-OAHLLOKOSA-N 1 0 306.450 3.034 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC001321007471 1107218780 /nfs/dbraw/zinc/21/87/80/1107218780.db2.gz HVMXNAAWVMQQIS-QGZVFWFLSA-N 1 0 304.434 3.060 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C)n(C)c1=O ZINC001321348816 1107328924 /nfs/dbraw/zinc/32/89/24/1107328924.db2.gz SUNDKZCVQVMJIM-IUODEOHRSA-N 1 0 312.413 3.046 20 10 DGCDRO CCC[C@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321813034 1107439177 /nfs/dbraw/zinc/43/91/77/1107439177.db2.gz AVYODEHRALWTSF-ZFWWWQNUSA-N 1 0 306.450 3.034 20 10 DGCDRO Oc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001321965642 1107473804 /nfs/dbraw/zinc/47/38/04/1107473804.db2.gz JWLNQGTXPOLOHR-KRWDZBQOSA-N 1 0 308.425 3.249 20 10 DGCDRO CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321978992 1107477573 /nfs/dbraw/zinc/47/75/73/1107477573.db2.gz UUJWNEGHWISNPH-USXIJHARSA-N 1 0 318.461 3.034 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)cc1 ZINC001322401865 1107663921 /nfs/dbraw/zinc/66/39/21/1107663921.db2.gz IIWBKNSGNXZDNY-UHFFFAOYSA-N 1 0 320.440 3.443 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC001318223420 1107904562 /nfs/dbraw/zinc/90/45/62/1107904562.db2.gz WPJZBRFRHXOECF-MRXNPFEDSA-N 1 0 318.461 3.065 20 10 DGCDRO COC(=O)CCCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001324015599 1108148615 /nfs/dbraw/zinc/14/86/15/1108148615.db2.gz NTACXXMVSPWHOI-UHFFFAOYSA-N 1 0 304.434 3.110 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001324965649 1108540508 /nfs/dbraw/zinc/54/05/08/1108540508.db2.gz RPVHMUMMIWKTLX-KKUMJFAQSA-N 1 0 318.461 3.391 20 10 DGCDRO C[N@H+](Cc1ccc(N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388625698 1108578194 /nfs/dbraw/zinc/57/81/94/1108578194.db2.gz OFSRFJOJTSWHIZ-HXUWFJFHSA-N 1 0 309.457 3.365 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)C2(C)CC2)C(C)C)cc1C ZINC001319917405 1108693855 /nfs/dbraw/zinc/69/38/55/1108693855.db2.gz RUGCDZNQPHFDEC-INIZCTEOSA-N 1 0 318.461 3.034 20 10 DGCDRO CC/C(C)=C/C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265536959 1108903259 /nfs/dbraw/zinc/90/32/59/1108903259.db2.gz GQGXIOLVEAOELG-GHABFMGASA-N 1 0 316.445 3.097 20 10 DGCDRO CC[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266127405 1109102662 /nfs/dbraw/zinc/10/26/62/1109102662.db2.gz GCGJJUDXZDPCKY-ZFWWWQNUSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCC3(CCC3)O2)cc1 ZINC001307898105 1111353448 /nfs/dbraw/zinc/35/34/48/1111353448.db2.gz YGIYPVOTLOMOAC-SFHVURJKSA-N 1 0 318.461 3.165 20 10 DGCDRO Cc1cc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)ccc1N1CCCCC1 ZINC001308072404 1111374023 /nfs/dbraw/zinc/37/40/23/1111374023.db2.gz WLIXDDBFYWEVHP-WSTZPKSXSA-N 1 0 314.473 3.188 20 10 DGCDRO CCC[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001308253767 1111405255 /nfs/dbraw/zinc/40/52/55/1111405255.db2.gz JRZGLXCDNCTLPO-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC001308374193 1111423197 /nfs/dbraw/zinc/42/31/97/1111423197.db2.gz ZOTWOOQJARJQQJ-HNNXBMFYSA-N 1 0 319.832 3.356 20 10 DGCDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1c(O)cccc1Br ZINC001308620685 1111452005 /nfs/dbraw/zinc/45/20/05/1111452005.db2.gz VANLVSXQQQWSCS-ZJUUUORDSA-N 1 0 316.264 3.481 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c(Cl)c1 ZINC001308524482 1111438283 /nfs/dbraw/zinc/43/82/83/1111438283.db2.gz YITWGOFVQPOAIM-CQSZACIVSA-N 1 0 323.795 3.186 20 10 DGCDRO CCCCC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC001308546113 1111440953 /nfs/dbraw/zinc/44/09/53/1111440953.db2.gz OKNQULGWVCYWCR-UHFFFAOYSA-N 1 0 306.425 3.475 20 10 DGCDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001308625797 1111452785 /nfs/dbraw/zinc/45/27/85/1111452785.db2.gz MKFCTFMUXRMXMS-ZDUSSCGKSA-N 1 0 305.805 3.429 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)c(O)c1 ZINC001308667839 1111458400 /nfs/dbraw/zinc/45/84/00/1111458400.db2.gz GGWIADCZUXLCLO-LPHOPBHVSA-N 1 0 310.441 3.311 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC001308753281 1111469851 /nfs/dbraw/zinc/46/98/51/1111469851.db2.gz NPVCQPQWJLPTKT-MRXNPFEDSA-N 1 0 320.433 3.007 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1 ZINC001308797964 1111476372 /nfs/dbraw/zinc/47/63/72/1111476372.db2.gz MQKLNIIILOCDNB-VQIMIIECSA-N 1 0 313.397 3.100 20 10 DGCDRO COCCN1CC[N@H+](Cc2cc(C(C)C)ccc2O)C(C)(C)C1 ZINC001308845850 1111484033 /nfs/dbraw/zinc/48/40/33/1111484033.db2.gz MWGMINZACPVTMC-UHFFFAOYSA-N 1 0 320.477 3.058 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)c1O ZINC001308851144 1111484870 /nfs/dbraw/zinc/48/48/70/1111484870.db2.gz PAGUKQGCDCOHLX-FQEVSTJZSA-N 1 0 324.468 3.313 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC001308893494 1111489742 /nfs/dbraw/zinc/48/97/42/1111489742.db2.gz WRBKFFKCRVUGSY-UONOGXRCSA-N 1 0 317.351 3.118 20 10 DGCDRO CSC1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCOCC1 ZINC000090113061 185282661 /nfs/dbraw/zinc/28/26/61/185282661.db2.gz MTOBEUQAUIYTDV-CQSZACIVSA-N 1 0 308.491 3.315 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000103854791 432012564 /nfs/dbraw/zinc/01/25/64/432012564.db2.gz LZEXDCAAUFFQDV-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3sccc3C2)cc1OC ZINC000179476087 432058892 /nfs/dbraw/zinc/05/88/92/432058892.db2.gz KFZJDMZPJMZXFT-UHFFFAOYSA-N 1 0 305.399 3.029 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(OC)cc2OC)c1 ZINC000179568334 432062525 /nfs/dbraw/zinc/06/25/25/432062525.db2.gz RBPALBPNBSFEAQ-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO Oc1ccccc1C[NH+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000179552797 432062049 /nfs/dbraw/zinc/06/20/49/432062049.db2.gz JNUHOAUEGCVGHM-KRWDZBQOSA-N 1 0 313.397 3.279 20 10 DGCDRO Cn1cc(Br)cc1C[N@H+](C)Cc1ccccc1O ZINC000179586187 432064262 /nfs/dbraw/zinc/06/42/62/432064262.db2.gz WQFVBQJRAYWMTN-UHFFFAOYSA-N 1 0 309.207 3.125 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cccc(Cl)c2[O-])ccc1O ZINC000179665219 432066420 /nfs/dbraw/zinc/06/64/20/432066420.db2.gz MWEALESGRMBGEA-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000179709029 432068507 /nfs/dbraw/zinc/06/85/07/432068507.db2.gz CZJDOENDNIJEEM-KRWDZBQOSA-N 1 0 300.402 3.467 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192607297 283297337 /nfs/dbraw/zinc/29/73/37/283297337.db2.gz YGEGFORKTZDCPI-CYBMUJFWSA-N 1 0 301.390 3.169 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(F)ccc1O ZINC000185526375 299314042 /nfs/dbraw/zinc/31/40/42/299314042.db2.gz PRBKLIVASOGXTL-ZFWWWQNUSA-N 1 0 303.377 3.348 20 10 DGCDRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093316108 193229734 /nfs/dbraw/zinc/22/97/34/193229734.db2.gz QAWQOKFMHSYJGM-LLVKDONJSA-N 1 0 301.342 3.020 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000019963688 182170701 /nfs/dbraw/zinc/17/07/01/182170701.db2.gz VOHFTGKOOKSNFN-WCQYABFASA-N 1 0 314.223 3.374 20 10 DGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268812366 432139752 /nfs/dbraw/zinc/13/97/52/432139752.db2.gz FCMKMZHQBRVWNK-HOTGVXAUSA-N 1 0 304.478 3.420 20 10 DGCDRO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268835173 432143996 /nfs/dbraw/zinc/14/39/96/432143996.db2.gz PJUUTHHVSHENKM-INIZCTEOSA-N 1 0 317.477 3.244 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc([S@@](C)=O)cc1 ZINC000268897387 432145743 /nfs/dbraw/zinc/14/57/43/432145743.db2.gz ZDTQKOQIELWCMB-WHEQGISXSA-N 1 0 315.438 3.210 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000268974883 432147847 /nfs/dbraw/zinc/14/78/47/432147847.db2.gz NISCIBOVVUIAFP-YJBOKZPZSA-N 1 0 320.502 3.196 20 10 DGCDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000177988185 533376367 /nfs/dbraw/zinc/37/63/67/533376367.db2.gz KQGCUSVLXXPFFK-MRXNPFEDSA-N 1 0 317.477 3.196 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](CCOC)c2ccco2)c1O ZINC000272560048 130041206 /nfs/dbraw/zinc/04/12/06/130041206.db2.gz NFTGKDBMKVUVMK-AWEZNQCLSA-N 1 0 305.374 3.251 20 10 DGCDRO C[C@H]([NH2+]CCc1ccncc1)c1cc(Br)ccc1O ZINC000273364227 130110836 /nfs/dbraw/zinc/11/08/36/130110836.db2.gz AZTMYZBHISKHMS-NSHDSACASA-N 1 0 321.218 3.443 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1 ZINC000273422095 130118915 /nfs/dbraw/zinc/11/89/15/130118915.db2.gz SKKKJDGVXDATCB-CQSZACIVSA-N 1 0 312.413 3.253 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273432604 130120874 /nfs/dbraw/zinc/12/08/74/130120874.db2.gz WCXGFSSMJLHHQC-XRGYYRRGSA-N 1 0 318.122 3.273 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273437602 130122397 /nfs/dbraw/zinc/12/23/97/130122397.db2.gz XNPCJOZMIJQNEX-ZBFHGGJFSA-N 1 0 317.404 3.342 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C ZINC000273481233 130126805 /nfs/dbraw/zinc/12/68/05/130126805.db2.gz MEDXDPZRCUYGGQ-ZIAGYGMSSA-N 1 0 304.434 3.059 20 10 DGCDRO Cc1nccn1CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273564544 130136439 /nfs/dbraw/zinc/13/64/39/130136439.db2.gz JBFATDUBZMAUSR-SNVBAGLBSA-N 1 0 324.222 3.010 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)c(O)c1C ZINC000273610841 130143542 /nfs/dbraw/zinc/14/35/42/130143542.db2.gz VTIJERXHOZLFRR-GFCCVEGCSA-N 1 0 304.356 3.154 20 10 DGCDRO CC[N@H+](Cc1cn(C)nc1C(F)F)Cc1ccc(N(C)C)cc1 ZINC000274435776 130233422 /nfs/dbraw/zinc/23/34/22/130233422.db2.gz ABMCEEMLGNZTAT-UHFFFAOYSA-N 1 0 322.403 3.446 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284162458 131054450 /nfs/dbraw/zinc/05/44/50/131054450.db2.gz PVMDTZDBAOEMAA-KDOFPFPSSA-N 1 0 315.413 3.402 20 10 DGCDRO COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000284241351 131062022 /nfs/dbraw/zinc/06/20/22/131062022.db2.gz FCOVWOLSLLVQHB-KDOFPFPSSA-N 1 0 314.429 3.354 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1O ZINC000284430438 131080077 /nfs/dbraw/zinc/08/00/77/131080077.db2.gz RWYCBWDTIJBEHR-GXTWGEPZSA-N 1 0 316.228 3.417 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cc(F)ccc1O ZINC000284527177 131089945 /nfs/dbraw/zinc/08/99/45/131089945.db2.gz ZRMQKHPXRNCUEG-SECBINFHSA-N 1 0 312.291 3.379 20 10 DGCDRO COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000285488006 131173326 /nfs/dbraw/zinc/17/33/26/131173326.db2.gz BXLZEHOCKWGAIW-LBPRGKRZSA-N 1 0 318.442 3.452 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)c1 ZINC000285698361 131194798 /nfs/dbraw/zinc/19/47/98/131194798.db2.gz OQYODNZJMPWKBY-ZJUUUORDSA-N 1 0 308.328 3.486 20 10 DGCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c(F)cn1 ZINC000286889585 131254132 /nfs/dbraw/zinc/25/41/32/131254132.db2.gz IXEHDPYJDSRQFG-LBPRGKRZSA-N 1 0 303.381 3.146 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CN(C)C)c1O ZINC000287160491 131266894 /nfs/dbraw/zinc/26/68/94/131266894.db2.gz TYOFUHPSHFAGPC-QWRGUYRKSA-N 1 0 315.255 3.064 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)CCOCc2ccccc2)c1O ZINC000288344614 131320998 /nfs/dbraw/zinc/32/09/98/131320998.db2.gz BSMQWICGDPXOIQ-HNNXBMFYSA-N 1 0 315.413 3.486 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c1O ZINC000288432201 131324881 /nfs/dbraw/zinc/32/48/81/131324881.db2.gz BROYTQPRAUTNDQ-DYVFJYSZSA-N 1 0 301.386 3.003 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c(O)c1 ZINC000288557531 131330896 /nfs/dbraw/zinc/33/08/96/131330896.db2.gz MAMYWGZFIRJZCJ-IFXJQAMLSA-N 1 0 315.413 3.393 20 10 DGCDRO CCCN(Cc1cnn(CC(F)F)c1)c1ccc(C[NH3+])cc1 ZINC000294814984 131862002 /nfs/dbraw/zinc/86/20/02/131862002.db2.gz XBUYIHYXXWXXPS-UHFFFAOYSA-N 1 0 308.376 3.024 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](CCO)c2ccccc2)c1 ZINC000093442740 400246266 /nfs/dbraw/zinc/24/62/66/400246266.db2.gz PMRONMCRSULKMX-GOSISDBHSA-N 1 0 315.413 3.346 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(O)c1 ZINC000093585847 400250117 /nfs/dbraw/zinc/25/01/17/400250117.db2.gz UEOLBHNXZRYZMN-VQIMIIECSA-N 1 0 319.445 3.308 20 10 DGCDRO Cc1nccn1CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000069754139 400341985 /nfs/dbraw/zinc/34/19/85/400341985.db2.gz PUWKNUCRXVCYEY-UHFFFAOYSA-N 1 0 312.461 3.362 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCSCC1)c1ccc2ccccc2c1O ZINC000273567839 287028858 /nfs/dbraw/zinc/02/88/58/287028858.db2.gz JWOCFKOIFAGQPI-CQSZACIVSA-N 1 0 316.470 3.245 20 10 DGCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)N(C)C)Cc1ccccc1O ZINC000176679229 287145388 /nfs/dbraw/zinc/14/53/88/287145388.db2.gz RTJPLXNPYKCZJX-HNNXBMFYSA-N 1 0 312.413 3.044 20 10 DGCDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccccc1O ZINC000127186386 227001758 /nfs/dbraw/zinc/00/17/58/227001758.db2.gz PRAIZRIPFIHWNC-CQSZACIVSA-N 1 0 308.385 3.166 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1[N+](=O)[O-] ZINC000297634540 227395282 /nfs/dbraw/zinc/39/52/82/227395282.db2.gz JJVAVKVLQNRJFQ-ZDUSSCGKSA-N 1 0 314.341 3.086 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccn2C)cc1OC ZINC000179598488 228352790 /nfs/dbraw/zinc/35/27/90/228352790.db2.gz SBCMQCHAARZWGO-HNNXBMFYSA-N 1 0 316.401 3.085 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1C ZINC000151397902 432244020 /nfs/dbraw/zinc/24/40/20/432244020.db2.gz HJFMBJUXUZZOBA-RDJZCZTQSA-N 1 0 307.459 3.153 20 10 DGCDRO CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000287534719 288040288 /nfs/dbraw/zinc/04/02/88/288040288.db2.gz PCOKPDIZORSUQK-YOEHRIQHSA-N 1 0 324.440 3.073 20 10 DGCDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000252817044 279270841 /nfs/dbraw/zinc/27/08/41/279270841.db2.gz XNEPSSSMAKZCFV-SQHYZVFZSA-N 1 0 305.443 3.353 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000119660158 431713866 /nfs/dbraw/zinc/71/38/66/431713866.db2.gz GVDLYTHQAFXURI-HNNXBMFYSA-N 1 0 301.478 3.420 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)C(C)C)c1cc(Br)ccc1O ZINC000119220890 431662868 /nfs/dbraw/zinc/66/28/68/431662868.db2.gz HTLSLIHKYOKELC-JSGCOSHPSA-N 1 0 316.239 3.212 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000037738210 431849610 /nfs/dbraw/zinc/84/96/10/431849610.db2.gz GNGSDYJBOOZQMV-ZWNOBZJWSA-N 1 0 314.223 3.232 20 10 DGCDRO CCOc1cccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000093660021 431917761 /nfs/dbraw/zinc/91/77/61/431917761.db2.gz URMYIELZQDNIMF-MRXNPFEDSA-N 1 0 306.450 3.097 20 10 DGCDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000123847186 431875725 /nfs/dbraw/zinc/87/57/25/431875725.db2.gz JPTNQXAQUMSWJR-AWEZNQCLSA-N 1 0 319.449 3.024 20 10 DGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000126257877 431946158 /nfs/dbraw/zinc/94/61/58/431946158.db2.gz RTZOZYXKXMQUMR-ZDUSSCGKSA-N 1 0 315.392 3.181 20 10 DGCDRO CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1ccccc1O)CC(C)C ZINC000183401367 432290505 /nfs/dbraw/zinc/29/05/05/432290505.db2.gz FXDTXTDKCHUVSC-ZIAGYGMSSA-N 1 0 308.422 3.204 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000183527605 432300860 /nfs/dbraw/zinc/30/08/60/432300860.db2.gz MDGMQPHCMHGIEY-DOMZBBRYSA-N 1 0 320.433 3.346 20 10 DGCDRO COc1cccc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c1O ZINC000271133996 432334743 /nfs/dbraw/zinc/33/47/43/432334743.db2.gz LLUWGIGYLMUZLO-GOSISDBHSA-N 1 0 313.397 3.147 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000271255739 432363010 /nfs/dbraw/zinc/36/30/10/432363010.db2.gz FZBXUXOYATZZOW-AWEZNQCLSA-N 1 0 312.417 3.076 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCCCO)c1O ZINC000192925085 432428110 /nfs/dbraw/zinc/42/81/10/432428110.db2.gz PIGIDTAOQCHKIG-NSHDSACASA-N 1 0 316.239 3.276 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c(O)c1 ZINC000184954193 432449739 /nfs/dbraw/zinc/44/97/39/432449739.db2.gz LYASQQKJKZCUMW-OAHLLOKOSA-N 1 0 322.412 3.191 20 10 DGCDRO CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000271585204 432420507 /nfs/dbraw/zinc/42/05/07/432420507.db2.gz XLBRLIFFENRVPS-KGLIPLIRSA-N 1 0 304.356 3.107 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC(C)(C)C ZINC000185217960 432479193 /nfs/dbraw/zinc/47/91/93/432479193.db2.gz DJHKBUPALAPOAE-STQMWFEESA-N 1 0 318.461 3.225 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000185232440 432480599 /nfs/dbraw/zinc/48/05/99/432480599.db2.gz LNZLHXPXCQCHIB-GFCCVEGCSA-N 1 0 318.392 3.457 20 10 DGCDRO COCC[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185290188 432487753 /nfs/dbraw/zinc/48/77/53/432487753.db2.gz QMHOHFNYMGLVFZ-UWVGGRQHSA-N 1 0 302.212 3.230 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1 ZINC000185518712 432507256 /nfs/dbraw/zinc/50/72/56/432507256.db2.gz TXMHIYXEHQYBGQ-ZBEGNZNMSA-N 1 0 307.415 3.021 20 10 DGCDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185511687 432507399 /nfs/dbraw/zinc/50/73/99/432507399.db2.gz UCYNBXSPWZZTNT-PSTGCABASA-N 1 0 309.475 3.034 20 10 DGCDRO C[C@@H]([NH2+]Cc1nccs1)c1ccc(Br)cc1O ZINC000185087943 432465584 /nfs/dbraw/zinc/46/55/84/432465584.db2.gz BJZACLATCQAQCO-MRVPVSSYSA-N 1 0 313.220 3.462 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCc3sccc3C2)c1 ZINC000185104725 432466509 /nfs/dbraw/zinc/46/65/09/432466509.db2.gz GFNKZELDRVMMAG-CQSZACIVSA-N 1 0 316.470 3.471 20 10 DGCDRO CCNC(=O)c1cccc(C[NH2+][C@@H](CC)c2ccccc2O)c1 ZINC000155358022 432551422 /nfs/dbraw/zinc/55/14/22/432551422.db2.gz VDSCRFRRBJUZGW-KRWDZBQOSA-N 1 0 312.413 3.383 20 10 DGCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000186030066 432554270 /nfs/dbraw/zinc/55/42/70/432554270.db2.gz IKAQBBSDGANPMQ-QWHCGFSZSA-N 1 0 321.442 3.019 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cc(F)ccc1O ZINC000186166101 432565341 /nfs/dbraw/zinc/56/53/41/432565341.db2.gz FLUYDYBYOUISHH-KPZWWZAWSA-N 1 0 301.361 3.016 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136329 432562045 /nfs/dbraw/zinc/56/20/45/432562045.db2.gz OYHOBVWRQLINDC-OGHNNQOOSA-N 1 0 323.458 3.106 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C1CC1 ZINC000186154063 432563029 /nfs/dbraw/zinc/56/30/29/432563029.db2.gz UVYCIOVJXFCQDH-RNCFNFMXSA-N 1 0 314.223 3.230 20 10 DGCDRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185677473 432522267 /nfs/dbraw/zinc/52/22/67/432522267.db2.gz NGJMYEGKWWYIHS-GHMZBOCLSA-N 1 0 316.239 3.214 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nc(C)c(C)s2)c1 ZINC000185797528 432533283 /nfs/dbraw/zinc/53/32/83/432533283.db2.gz RATOBWBQCXXQAO-NSHDSACASA-N 1 0 306.431 3.367 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c(O)c1 ZINC000185813053 432535717 /nfs/dbraw/zinc/53/57/17/432535717.db2.gz PCDJLYRPXNXEBR-WMLDXEAASA-N 1 0 310.397 3.157 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(Br)cc1O ZINC000186234847 432571834 /nfs/dbraw/zinc/57/18/34/432571834.db2.gz LERUSRYUCMLIRS-CMPLNLGQSA-N 1 0 314.223 3.374 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCCN(C(C)C)C1=O ZINC000177027164 432575817 /nfs/dbraw/zinc/57/58/17/432575817.db2.gz SWEYVQHCXWGGOT-INIZCTEOSA-N 1 0 304.434 3.004 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186487609 432600880 /nfs/dbraw/zinc/60/08/80/432600880.db2.gz BFXVPOGZPWRVDM-UHFFFAOYSA-N 1 0 313.850 3.144 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](COC)c2ccc(C)o2)c1O ZINC000177569947 432637617 /nfs/dbraw/zinc/63/76/17/432637617.db2.gz YRKPSPVPRCFWMB-AWEZNQCLSA-N 1 0 305.374 3.170 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c1 ZINC000187909838 432692318 /nfs/dbraw/zinc/69/23/18/432692318.db2.gz YKZUGNAXFRYVSM-IFXJQAMLSA-N 1 0 315.413 3.349 20 10 DGCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(C)ccc3O)CC2)n[nH]1 ZINC000275959117 432763162 /nfs/dbraw/zinc/76/31/62/432763162.db2.gz VPHWGBDJPKMKEX-AWEZNQCLSA-N 1 0 314.433 3.052 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1O ZINC000276643085 432823575 /nfs/dbraw/zinc/82/35/75/432823575.db2.gz RAUSKFWVBQFDKH-HNNXBMFYSA-N 1 0 305.418 3.372 20 10 DGCDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000268408185 432869468 /nfs/dbraw/zinc/86/94/68/432869468.db2.gz GMIGBLMRJGAGBC-JLCFBVMHSA-N 1 0 317.454 3.306 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000278302155 432890656 /nfs/dbraw/zinc/89/06/56/432890656.db2.gz AAUYYZBSGCJJCS-MRXNPFEDSA-N 1 0 309.768 3.316 20 10 DGCDRO COc1c(O)c(C[N@H+](C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000278270285 432891159 /nfs/dbraw/zinc/89/11/59/432891159.db2.gz RRDZHYGMZCWCOW-UHFFFAOYSA-N 1 0 308.359 3.003 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)CC2 ZINC000296851391 432932052 /nfs/dbraw/zinc/93/20/52/432932052.db2.gz NFZJJSOQHUWQIS-UKRRQHHQSA-N 1 0 321.779 3.495 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296353153 432899157 /nfs/dbraw/zinc/89/91/57/432899157.db2.gz IKVLGHKHPZECKN-GJZGRUSLSA-N 1 0 318.461 3.375 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)[C@H]1CCCO1 ZINC000278838961 432907549 /nfs/dbraw/zinc/90/75/49/432907549.db2.gz PKECFUCEGVMFMS-XVGQJIODSA-N 1 0 319.445 3.116 20 10 DGCDRO CC[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(C)cc1O ZINC000280083103 433001999 /nfs/dbraw/zinc/00/19/99/433001999.db2.gz LWBLCKUDWDKLOD-HNNXBMFYSA-N 1 0 317.458 3.286 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(C)cc1O ZINC000280113114 433002123 /nfs/dbraw/zinc/00/21/23/433002123.db2.gz NSKRAFFMCPHDML-HOCLYGCPSA-N 1 0 305.418 3.427 20 10 DGCDRO Cc1cc(Br)cc(C[N@H+](C)CCCCCO)c1O ZINC000279509191 432977522 /nfs/dbraw/zinc/97/75/22/432977522.db2.gz XBDJXRHEYFUUIV-UHFFFAOYSA-N 1 0 316.239 3.058 20 10 DGCDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000289932493 432978316 /nfs/dbraw/zinc/97/83/16/432978316.db2.gz WNJLBLYILZYCJL-HNNXBMFYSA-N 1 0 314.429 3.011 20 10 DGCDRO COCc1nc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cs1 ZINC000289947671 432980298 /nfs/dbraw/zinc/98/02/98/432980298.db2.gz WGSKGYGUCGTXKF-GFCCVEGCSA-N 1 0 306.431 3.463 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000279687313 432990856 /nfs/dbraw/zinc/99/08/56/432990856.db2.gz ANTJLRKOXZHSIT-UONOGXRCSA-N 1 0 324.465 3.066 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1 ZINC000290183266 433008612 /nfs/dbraw/zinc/00/86/12/433008612.db2.gz FMGAISKWEYJRAR-LXIYXOSZSA-N 1 0 301.386 3.174 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)nc1OC)c1ccccc1O ZINC000290250262 433020767 /nfs/dbraw/zinc/02/07/67/433020767.db2.gz UEOGKOZQWJOAIQ-CQSZACIVSA-N 1 0 302.374 3.045 20 10 DGCDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000280535704 433078099 /nfs/dbraw/zinc/07/80/99/433078099.db2.gz CLAHYPHERYEUNE-JOCHJYFZSA-N 1 0 320.502 3.068 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000290807764 433171936 /nfs/dbraw/zinc/17/19/36/433171936.db2.gz FWTIJFGQYZAORU-UHFFFAOYSA-N 1 0 309.417 3.094 20 10 DGCDRO c1[nH]nc2c1CC[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000374541118 433216203 /nfs/dbraw/zinc/21/62/03/433216203.db2.gz JFFKQTLUOKTOGH-KRWDZBQOSA-N 1 0 310.445 3.047 20 10 DGCDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280920547 433225263 /nfs/dbraw/zinc/22/52/63/433225263.db2.gz PPOLWYVQAKEGDH-VXGBXAGGSA-N 1 0 318.383 3.268 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281139799 433266128 /nfs/dbraw/zinc/26/61/28/433266128.db2.gz OFIQQPTWKQKRQE-INIZCTEOSA-N 1 0 324.424 3.186 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)CC1CC[NH+](C)CC1 ZINC000291705816 433319916 /nfs/dbraw/zinc/31/99/16/433319916.db2.gz PLFNYRGGJAHDDF-UHFFFAOYSA-N 1 0 318.461 3.253 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cc(F)ccc1O ZINC000281683000 433345941 /nfs/dbraw/zinc/34/59/41/433345941.db2.gz RNEQZYRWJHVVRI-LLVKDONJSA-N 1 0 321.421 3.307 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC23CCOCC3)c1O ZINC000282146464 433512572 /nfs/dbraw/zinc/51/25/72/433512572.db2.gz SHGKIVCJQICJGG-MRXNPFEDSA-N 1 0 321.392 3.173 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)C[N@H+](CC)C1CC1 ZINC000282386128 433588303 /nfs/dbraw/zinc/58/83/03/433588303.db2.gz DFJKOTCJVIFDFF-UHFFFAOYSA-N 1 0 304.434 3.005 20 10 DGCDRO COc1ccncc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000292805850 433598994 /nfs/dbraw/zinc/59/89/94/433598994.db2.gz VXWOQOUELUWLLI-UHFFFAOYSA-N 1 0 311.429 3.370 20 10 DGCDRO COCCCOC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000292805516 433599367 /nfs/dbraw/zinc/59/93/67/433599367.db2.gz MQYXXDXYSSAPPT-UHFFFAOYSA-N 1 0 320.477 3.079 20 10 DGCDRO CCOCC(C)(C)[NH2+]Cc1cc(Br)ccc1O ZINC000293074170 433613062 /nfs/dbraw/zinc/61/30/62/433613062.db2.gz VRZLBJFFVLTYCT-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C2(C3CC3)CCOCC2)c1O ZINC000376390042 433726479 /nfs/dbraw/zinc/72/64/79/433726479.db2.gz YZSQSEJLXUIFEA-UHFFFAOYSA-N 1 0 311.809 3.103 20 10 DGCDRO C[C@@H](Nc1nc(N)c2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000302463569 433824966 /nfs/dbraw/zinc/82/49/66/433824966.db2.gz VNAXIKJOKSHSOD-GFCCVEGCSA-N 1 0 307.401 3.451 20 10 DGCDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000293619612 433803454 /nfs/dbraw/zinc/80/34/54/433803454.db2.gz JPPNGIXMMQZRSS-ZDUSSCGKSA-N 1 0 310.388 3.219 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1O ZINC000377241875 433851188 /nfs/dbraw/zinc/85/11/88/433851188.db2.gz GSKRYQFVRGZYEX-HNNXBMFYSA-N 1 0 305.418 3.039 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293794854 433871637 /nfs/dbraw/zinc/87/16/37/433871637.db2.gz UPACSVFMBKLPKF-UKRRQHHQSA-N 1 0 306.450 3.212 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)ccc1N(C)C ZINC000294450805 434117301 /nfs/dbraw/zinc/11/73/01/434117301.db2.gz FUAMNIMEEMNYSG-KRWDZBQOSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](Cc2ccccc2)OC)c1 ZINC000294715939 434129823 /nfs/dbraw/zinc/12/98/23/434129823.db2.gz FAXYHOVQYQINGA-YOEHRIQHSA-N 1 0 315.413 3.309 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000378352356 434157374 /nfs/dbraw/zinc/15/73/74/434157374.db2.gz VMSNXLZAISWEOH-FQEVSTJZSA-N 1 0 313.489 3.347 20 10 DGCDRO Cc1nccnc1CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000295007785 434159043 /nfs/dbraw/zinc/15/90/43/434159043.db2.gz MLUBSHYAFPUOJD-ZDUSSCGKSA-N 1 0 311.429 3.263 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCCc2ncccc2C)c1O ZINC000295029843 434163049 /nfs/dbraw/zinc/16/30/49/434163049.db2.gz NUQGZKSBVZIEDP-UHFFFAOYSA-N 1 0 320.820 3.480 20 10 DGCDRO CCc1nc([C@@H]2CCCCN2Cc2cccc(C)c2O)no1 ZINC000378442585 434184328 /nfs/dbraw/zinc/18/43/28/434184328.db2.gz KEVBSHQDRRDFLN-AWEZNQCLSA-N 1 0 301.390 3.373 20 10 DGCDRO COCCOc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295986910 434466744 /nfs/dbraw/zinc/46/67/44/434466744.db2.gz NOPHAJKFHMOOJH-KRWDZBQOSA-N 1 0 313.397 3.195 20 10 DGCDRO CCn1cc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cn1 ZINC000296159554 434527984 /nfs/dbraw/zinc/52/79/84/434527984.db2.gz SRZQVCGGZZXHAU-SNVBAGLBSA-N 1 0 321.808 3.315 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000367701479 434554959 /nfs/dbraw/zinc/55/49/59/434554959.db2.gz LBGHDDBRBPSHSX-CYBMUJFWSA-N 1 0 323.742 3.325 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000367684783 434555159 /nfs/dbraw/zinc/55/51/59/434555159.db2.gz LLVGFASPQICZQO-JKSUJKDBSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1O ZINC000368167131 434568062 /nfs/dbraw/zinc/56/80/62/434568062.db2.gz LHYTYKPXHHYCEP-MRXNPFEDSA-N 1 0 317.360 3.193 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000367999344 434563377 /nfs/dbraw/zinc/56/33/77/434563377.db2.gz JJIFTLUVSQNJCH-UHFFFAOYSA-N 1 0 305.809 3.388 20 10 DGCDRO COc1ccc(O)c(CN(CC[NH+](C)C)Cc2cccs2)c1 ZINC000289574052 295166099 /nfs/dbraw/zinc/16/60/99/295166099.db2.gz ZXFSWGZEQZHONZ-UHFFFAOYSA-N 1 0 320.458 3.026 20 10 DGCDRO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000361067900 434786754 /nfs/dbraw/zinc/78/67/54/434786754.db2.gz OLJQGJJNVMGOPF-IBGZPJMESA-N 1 0 322.408 3.340 20 10 DGCDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)OC)c1 ZINC000527738377 435014052 /nfs/dbraw/zinc/01/40/52/435014052.db2.gz ITAAYECCZJRFST-LJQANCHMSA-N 1 0 315.413 3.490 20 10 DGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(F)c(F)c1[O-] ZINC000187732147 333236970 /nfs/dbraw/zinc/23/69/70/333236970.db2.gz PCCUHWDRGKKCFL-RFAUZJTJSA-N 1 0 313.369 3.290 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c(O)c1 ZINC000295233214 335131328 /nfs/dbraw/zinc/13/13/28/335131328.db2.gz ODJSLMFYPBFAGZ-HNNXBMFYSA-N 1 0 307.434 3.164 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000295141751 335132886 /nfs/dbraw/zinc/13/28/86/335132886.db2.gz ZVMIXDGJBKZCCD-YPMHNXCESA-N 1 0 316.367 3.022 20 10 DGCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1F ZINC000063255955 533912178 /nfs/dbraw/zinc/91/21/78/533912178.db2.gz CIABXSKHXWTFQT-VIFPVBQESA-N 1 0 307.296 3.250 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c1 ZINC000371546737 534204481 /nfs/dbraw/zinc/20/44/81/534204481.db2.gz NZKZLFSYQPNCOK-DJJJIMSYSA-N 1 0 313.397 3.365 20 10 DGCDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(F)c1 ZINC000124674970 519321699 /nfs/dbraw/zinc/32/16/99/519321699.db2.gz OKWHRAUWPGSNAL-UHFFFAOYSA-N 1 0 303.333 3.285 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2(CC)CCOCC2)c(O)c1 ZINC000266635821 520366506 /nfs/dbraw/zinc/36/65/06/520366506.db2.gz RQZKSZQALACCER-UHFFFAOYSA-N 1 0 307.434 3.477 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)c2cccs2)c(O)c1 ZINC000265819186 520367876 /nfs/dbraw/zinc/36/78/76/520367876.db2.gz XOQMYDWGKQEIRV-KRWDZBQOSA-N 1 0 321.442 3.240 20 10 DGCDRO CCN(CC)[C@H](C[NH2+]Cc1cccc(OC)c1O)c1ccco1 ZINC000236895532 520866155 /nfs/dbraw/zinc/86/61/55/520866155.db2.gz IPNCUPIGKDFUHU-OAHLLOKOSA-N 1 0 318.417 3.167 20 10 DGCDRO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000155328888 521200797 /nfs/dbraw/zinc/20/07/97/521200797.db2.gz LDCHIDWKEYUXAS-FUHWJXTLSA-N 1 0 320.477 3.379 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(Cl)nc2)cc1OC ZINC000159721070 522773286 /nfs/dbraw/zinc/77/32/86/522773286.db2.gz ALKISYOEOISYMG-UHFFFAOYSA-N 1 0 322.792 3.090 20 10 DGCDRO CC[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000127401163 522840493 /nfs/dbraw/zinc/84/04/93/522840493.db2.gz WYXOKQBWMSBMQO-IERDGZPVSA-N 1 0 310.507 3.341 20 10 DGCDRO COc1ccccc1C(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000237106961 524365039 /nfs/dbraw/zinc/36/50/39/524365039.db2.gz LMINRLGIHJPWER-UHFFFAOYSA-N 1 0 315.369 3.154 20 10 DGCDRO Cc1cccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000180770839 524375827 /nfs/dbraw/zinc/37/58/27/524375827.db2.gz MPNVTLCMAPIMMX-UHFFFAOYSA-N 1 0 313.323 3.085 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(F)cc2)c1 ZINC000182460845 524764663 /nfs/dbraw/zinc/76/46/63/524764663.db2.gz GRIHIBXKRXSIHR-GFCCVEGCSA-N 1 0 305.349 3.270 20 10 DGCDRO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccccc3O)C2=O)cc1 ZINC000179875714 524972638 /nfs/dbraw/zinc/97/26/38/524972638.db2.gz UMNDPUDODBTSCB-RHSMWYFYSA-N 1 0 310.397 3.157 20 10 DGCDRO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000156918924 525425481 /nfs/dbraw/zinc/42/54/81/525425481.db2.gz WGALZBIZFYVCBS-GUYCJALGSA-N 1 0 304.459 3.372 20 10 DGCDRO C[C@@H]([NH2+]CCCOCCO)c1ccc(N2CCCCCC2)cc1 ZINC000180238849 525439919 /nfs/dbraw/zinc/43/99/19/525439919.db2.gz COKRNYNNAOXBBY-QGZVFWFLSA-N 1 0 320.477 3.117 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000189311876 525504149 /nfs/dbraw/zinc/50/41/49/525504149.db2.gz AAANIIBVOSMLOT-GJYPPUQNSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000156919068 525508128 /nfs/dbraw/zinc/50/81/28/525508128.db2.gz WGALZBIZFYVCBS-DYVFJYSZSA-N 1 0 304.459 3.372 20 10 DGCDRO COc1cccc(C[NH2+]CCc2nc3c(cccc3C)o2)c1O ZINC000266333988 526017901 /nfs/dbraw/zinc/01/79/01/526017901.db2.gz WNZXLDXXULYKNA-UHFFFAOYSA-N 1 0 312.369 3.183 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000180806133 526348497 /nfs/dbraw/zinc/34/84/97/526348497.db2.gz AYMQSIQQRHBNDG-UHFFFAOYSA-N 1 0 319.351 3.466 20 10 DGCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000180271163 526348656 /nfs/dbraw/zinc/34/86/56/526348656.db2.gz ZNMDLUJMBGSTGE-GOEBONIOSA-N 1 0 305.349 3.212 20 10 DGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000178715954 529360816 /nfs/dbraw/zinc/36/08/16/529360816.db2.gz HRNFUIKKDUHLIW-PBHICJAKSA-N 1 0 305.466 3.098 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1O ZINC000288432206 535462096 /nfs/dbraw/zinc/46/20/96/535462096.db2.gz BROYTQPRAUTNDQ-SUMWQHHRSA-N 1 0 301.386 3.003 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)[C@@]12CCCO2 ZINC000274274094 535512799 /nfs/dbraw/zinc/51/27/99/535512799.db2.gz XDURTXNIISQXKK-RUGDWHBFSA-N 1 0 305.418 3.078 20 10 DGCDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273406991 535770729 /nfs/dbraw/zinc/77/07/29/535770729.db2.gz OQDCZWJWUZRCOP-CQSZACIVSA-N 1 0 320.433 3.281 20 10 DGCDRO CCn1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)cn1 ZINC000273498380 536073411 /nfs/dbraw/zinc/07/34/11/536073411.db2.gz POSPFAIMTKTCCQ-SNVBAGLBSA-N 1 0 324.222 3.222 20 10 DGCDRO COCC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000273412444 536809942 /nfs/dbraw/zinc/80/99/42/536809942.db2.gz IAMJDBMOPVHNPS-IUODEOHRSA-N 1 0 305.374 3.422 20 10 DGCDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000294738100 546423962 /nfs/dbraw/zinc/42/39/62/546423962.db2.gz GXLOZIVJCACZIZ-LBPRGKRZSA-N 1 0 318.383 3.270 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1 ZINC000731041681 574541764 /nfs/dbraw/zinc/54/17/64/574541764.db2.gz OGVAWYVCGKTNBT-UHFFFAOYSA-N 1 0 311.429 3.260 20 10 DGCDRO CCCCNC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848107 574560260 /nfs/dbraw/zinc/56/02/60/574560260.db2.gz SEMABBWSPKRBLM-UHFFFAOYSA-N 1 0 304.434 3.053 20 10 DGCDRO CCc1ccc([C@@H](CNC(=O)C2=CC(=O)CS2)[NH+](C)C)cc1 ZINC000731864062 574560279 /nfs/dbraw/zinc/56/02/79/574560279.db2.gz NBODLRRPEFISPV-OAHLLOKOSA-N 1 0 318.442 3.049 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000733324326 574615280 /nfs/dbraw/zinc/61/52/80/574615280.db2.gz PNMZBAUFCNUMDE-UHFFFAOYSA-N 1 0 319.788 3.415 20 10 DGCDRO CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@H]1CCOC1 ZINC000738081024 574858669 /nfs/dbraw/zinc/85/86/69/574858669.db2.gz JJCHOFIGKYBYPJ-CQSZACIVSA-N 1 0 315.413 3.412 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1C(C)C ZINC000738148980 574860147 /nfs/dbraw/zinc/86/01/47/574860147.db2.gz NYKLOTZCOZEOPL-HNNXBMFYSA-N 1 0 319.445 3.409 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](COC)c2ccc(CC)o2)c(O)c1 ZINC000742373754 574993350 /nfs/dbraw/zinc/99/33/50/574993350.db2.gz IQVMLDKJVFNCGJ-MRXNPFEDSA-N 1 0 319.401 3.424 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C(C)(C)C2CC2)c1O ZINC000742374484 574993382 /nfs/dbraw/zinc/99/33/82/574993382.db2.gz ZLYSEIZJBGTKRN-UHFFFAOYSA-N 1 0 314.223 3.442 20 10 DGCDRO CCOCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743503214 575054962 /nfs/dbraw/zinc/05/49/62/575054962.db2.gz NWGXXUXECIYIAN-UHFFFAOYSA-N 1 0 321.421 3.101 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cn3cc(C)ccc3n2)c(O)c1 ZINC000729680918 575259807 /nfs/dbraw/zinc/25/98/07/575259807.db2.gz GSOGXGGEDXKXPO-UHFFFAOYSA-N 1 0 311.385 3.037 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1nncn1C ZINC000729680493 575259860 /nfs/dbraw/zinc/25/98/60/575259860.db2.gz QZXOKQLMUBUNEW-ZDUSSCGKSA-N 1 0 308.385 3.039 20 10 DGCDRO C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1O ZINC000744403067 575339975 /nfs/dbraw/zinc/33/99/75/575339975.db2.gz VAZIXGKMIWXZME-UHFFFAOYSA-N 1 0 320.339 3.131 20 10 DGCDRO C[C@H](CCNC(=O)C1=CC(=O)CS1)[N@H+](C)Cc1ccccc1 ZINC000746693128 575470602 /nfs/dbraw/zinc/47/06/02/575470602.db2.gz BPJPYJWYFSFJIT-CYBMUJFWSA-N 1 0 318.442 3.094 20 10 DGCDRO CCC(CC)[C@H](CC[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000746760880 575473976 /nfs/dbraw/zinc/47/39/76/575473976.db2.gz JHNDYDKEEPDVNP-HNNXBMFYSA-N 1 0 309.406 3.052 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](COC)Cc2ccccc2)c(O)c1 ZINC000747100511 575496420 /nfs/dbraw/zinc/49/64/20/575496420.db2.gz JAFZFXBPVNTKFO-KRWDZBQOSA-N 1 0 315.413 3.138 20 10 DGCDRO C[C@@H](C[NH2+]Cc1cc(Br)ccc1O)c1ccncc1 ZINC000749293315 575642885 /nfs/dbraw/zinc/64/28/85/575642885.db2.gz CNEGWGKYUNTKQM-NSHDSACASA-N 1 0 321.218 3.443 20 10 DGCDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000749925518 575689000 /nfs/dbraw/zinc/68/90/00/575689000.db2.gz XFSKMNMZALBZCW-ZIAGYGMSSA-N 1 0 306.425 3.187 20 10 DGCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3ccccn3)CC2)cc1 ZINC000750039559 575699052 /nfs/dbraw/zinc/69/90/52/575699052.db2.gz PVXCKMZECQMUSW-MRXNPFEDSA-N 1 0 311.429 3.364 20 10 DGCDRO CCCNC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725847670 575929497 /nfs/dbraw/zinc/92/94/97/575929497.db2.gz QCZMEAYZGLEVDW-UHFFFAOYSA-N 1 0 312.413 3.065 20 10 DGCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)c3ccc(F)cc3)ccc21 ZINC000727643769 576135484 /nfs/dbraw/zinc/13/54/84/576135484.db2.gz JTTBULUJUFXODI-IBGZPJMESA-N 1 0 314.404 3.031 20 10 DGCDRO Cc1cc(C(=O)N(C)CC(C)(C)[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000852898849 620654747 /nfs/dbraw/zinc/65/47/47/620654747.db2.gz QATJSJCIPVJBQV-UHFFFAOYSA-N 1 0 317.408 3.043 20 10 DGCDRO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000111236074 620685580 /nfs/dbraw/zinc/68/55/80/620685580.db2.gz ZVEGZZCDJARGLK-OAHLLOKOSA-N 1 0 312.413 3.468 20 10 DGCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000918186708 620701694 /nfs/dbraw/zinc/70/16/94/620701694.db2.gz GZOQSLHZFKWPET-INIZCTEOSA-N 1 0 311.429 3.364 20 10 DGCDRO c1ccc([C@@H]2C[C@@H]2C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000111398439 620706552 /nfs/dbraw/zinc/70/65/52/620706552.db2.gz VBJIAPVZUQVFJZ-CTNGQTDRSA-N 1 0 322.452 3.417 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853585925 620713055 /nfs/dbraw/zinc/71/30/55/620713055.db2.gz LJTKOXVMFMVIIE-UKRRQHHQSA-N 1 0 319.445 3.167 20 10 DGCDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CCC2(COC2)C1)CCCC3 ZINC000853594161 620713297 /nfs/dbraw/zinc/71/32/97/620713297.db2.gz AJNDXDRNQSKCDO-UHFFFAOYSA-N 1 0 313.397 3.240 20 10 DGCDRO COC(=O)CC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000918734072 620723018 /nfs/dbraw/zinc/72/30/18/620723018.db2.gz UEZDVSLYSHHRDM-UHFFFAOYSA-N 1 0 313.397 3.321 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cccc(Cl)c1[O-] ZINC000806128845 617661581 /nfs/dbraw/zinc/66/15/81/617661581.db2.gz POYMRLPUMZGQDB-OAHLLOKOSA-N 1 0 318.804 3.385 20 10 DGCDRO CC[N@H+](CCc1ccccc1)Cc1ccc(OC)c(OC)c1O ZINC000891620026 617853844 /nfs/dbraw/zinc/85/38/44/617853844.db2.gz MNKSOVMTZWJKHC-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CS[C@@H](C)C3)CC2)cc1 ZINC000840856995 618023414 /nfs/dbraw/zinc/02/34/14/618023414.db2.gz SXGJEFSRLVQKLW-ZFWWWQNUSA-N 1 0 306.475 3.148 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000840877124 618056343 /nfs/dbraw/zinc/05/63/43/618056343.db2.gz UEIRKKIJBUINFZ-UHFFFAOYSA-N 1 0 319.788 3.415 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2)c(O)c1OC ZINC000892475461 618075587 /nfs/dbraw/zinc/07/55/87/618075587.db2.gz IFHCVYVAOLLCAP-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(Cl)s2)c(O)c1OC ZINC000892499996 618083599 /nfs/dbraw/zinc/08/35/99/618083599.db2.gz DBLGUWJSXOKEGF-UHFFFAOYSA-N 1 0 313.806 3.414 20 10 DGCDRO COc1ccc(C[NH2+]CCc2c(F)cccc2F)c(O)c1OC ZINC000892613790 618119358 /nfs/dbraw/zinc/11/93/58/618119358.db2.gz AFHYVNZXMQYBHK-UHFFFAOYSA-N 1 0 323.339 3.020 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2C)c(O)c1OC ZINC000892623117 618120541 /nfs/dbraw/zinc/12/05/41/618120541.db2.gz WEELPCGVZPSPBS-CQSZACIVSA-N 1 0 315.413 3.439 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Cl)ccc1O ZINC000840886732 618130182 /nfs/dbraw/zinc/13/01/82/618130182.db2.gz OHLXQUZNUCWPJJ-KDDOJWQBSA-N 1 0 305.752 3.245 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000840892556 618150074 /nfs/dbraw/zinc/15/00/74/618150074.db2.gz AXKAGKIAYJKZLB-HUUCEWRRSA-N 1 0 300.450 3.076 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000840892554 618150635 /nfs/dbraw/zinc/15/06/35/618150635.db2.gz AXKAGKIAYJKZLB-CABCVRRESA-N 1 0 300.450 3.076 20 10 DGCDRO Cc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)nn1C ZINC000840894177 618325655 /nfs/dbraw/zinc/32/56/55/618325655.db2.gz PMRBZZJMHGIMHV-HOCLYGCPSA-N 1 0 314.477 3.385 20 10 DGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)c1O ZINC000894458407 618339880 /nfs/dbraw/zinc/33/98/80/618339880.db2.gz QNZDGMQHNWTHQL-WBVHZDCISA-N 1 0 319.445 3.476 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@]2(C)Br)c1 ZINC000894503268 618359524 /nfs/dbraw/zinc/35/95/24/618359524.db2.gz ZRYAGBWTOAGEAO-RBZYPMLTSA-N 1 0 314.223 3.225 20 10 DGCDRO CC[C@@](C)([NH2+]Cc1ccc(OC)c(OC)c1O)c1nccs1 ZINC000892991499 618381119 /nfs/dbraw/zinc/38/11/19/618381119.db2.gz MKPWDAPUFPDBQT-MRXNPFEDSA-N 1 0 322.430 3.281 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2nnc(C3CC3)s2)n1 ZINC000893044980 618402340 /nfs/dbraw/zinc/40/23/40/618402340.db2.gz MEHIODNITDKVPR-UHFFFAOYSA-N 1 0 312.489 3.144 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cn3ccnc3s2)n1 ZINC000893045330 618403404 /nfs/dbraw/zinc/40/34/04/618403404.db2.gz PWDCZJOPPBIDLI-UHFFFAOYSA-N 1 0 310.473 3.124 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1O ZINC000894748840 618443212 /nfs/dbraw/zinc/44/32/12/618443212.db2.gz XPNBCCMUQLZRHT-ZBFHGGJFSA-N 1 0 307.434 3.225 20 10 DGCDRO COc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)c(O)c1OC ZINC000893171298 618458431 /nfs/dbraw/zinc/45/84/31/618458431.db2.gz CBZGWUOLEGGPIO-UHFFFAOYSA-N 1 0 320.414 3.033 20 10 DGCDRO COc1ccc(C[NH2+]CCCc2cccs2)c(O)c1OC ZINC000893230283 618483063 /nfs/dbraw/zinc/48/30/63/618483063.db2.gz NJZXKPAEHRTLIM-UHFFFAOYSA-N 1 0 307.415 3.193 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)CC(F)(F)F ZINC000894906625 618497212 /nfs/dbraw/zinc/49/72/12/618497212.db2.gz RSBUEUBSKDHBNM-JTQLQIEISA-N 1 0 321.339 3.478 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c(O)c1OC ZINC000893320645 618512326 /nfs/dbraw/zinc/51/23/26/618512326.db2.gz SDENPDXBEBWFDC-CABCVRRESA-N 1 0 323.433 3.093 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000895133504 618547156 /nfs/dbraw/zinc/54/71/56/618547156.db2.gz KRPXGMZBAPTOJL-PXAZEXFGSA-N 1 0 319.376 3.060 20 10 DGCDRO Cc1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cnc1F ZINC000893570143 618609406 /nfs/dbraw/zinc/60/94/06/618609406.db2.gz DBQWEBHBZXEAES-UHFFFAOYSA-N 1 0 317.408 3.106 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)c2ncc(C)s2)c(O)c1OC ZINC000893574828 618609956 /nfs/dbraw/zinc/60/99/56/618609956.db2.gz AFCKRSHUPKOBIK-SNVBAGLBSA-N 1 0 322.430 3.068 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000840936835 618610634 /nfs/dbraw/zinc/61/06/34/618610634.db2.gz MWHOGPDJIUOSKE-GOSISDBHSA-N 1 0 302.462 3.310 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1F ZINC000894163249 618721990 /nfs/dbraw/zinc/72/19/90/618721990.db2.gz OSOJXLPRTBUKBE-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO COc1ccc(C[NH2+]CCCc2ccccc2F)c(O)c1OC ZINC000894178413 618724823 /nfs/dbraw/zinc/72/48/23/618724823.db2.gz NJUWRUYSLXHSLV-UHFFFAOYSA-N 1 0 319.376 3.271 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c(O)c1OC ZINC000894213032 618732025 /nfs/dbraw/zinc/73/20/25/618732025.db2.gz FDKGSXXDRXHBCU-WKILWMFISA-N 1 0 313.397 3.445 20 10 DGCDRO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(C)cc(OC)c2O)o1 ZINC000894269667 618747288 /nfs/dbraw/zinc/74/72/88/618747288.db2.gz ULLOYQFYWQITPR-OAHLLOKOSA-N 1 0 319.401 3.342 20 10 DGCDRO Cc1noc2ncc(C[NH2+]CCCSc3nccs3)cc12 ZINC000894302624 618757311 /nfs/dbraw/zinc/75/73/11/618757311.db2.gz DREIFVRNPBLHDJ-UHFFFAOYSA-N 1 0 320.443 3.260 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c1O ZINC000894316744 618762906 /nfs/dbraw/zinc/76/29/06/618762906.db2.gz OLLSJKZNMDWACW-KBXCAEBGSA-N 1 0 307.434 3.250 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000894325239 618764541 /nfs/dbraw/zinc/76/45/41/618764541.db2.gz QCWYQWJEXXTIBQ-QGZVFWFLSA-N 1 0 317.433 3.320 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CC(Cc3ccsc3)C2)c1O ZINC000895379386 618776021 /nfs/dbraw/zinc/77/60/21/618776021.db2.gz VLDIHXASECPWMD-UHFFFAOYSA-N 1 0 303.427 3.445 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)c2ccc(C)cn2)c1O ZINC000895392098 618778103 /nfs/dbraw/zinc/77/81/03/618778103.db2.gz LJVDUYCWAYUIPY-UHFFFAOYSA-N 1 0 314.429 3.480 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C2CC(Nc3ccccc3)C2)c1O ZINC000895476513 618789762 /nfs/dbraw/zinc/78/97/62/618789762.db2.gz KDGPUQMLGLXLRN-UHFFFAOYSA-N 1 0 312.413 3.442 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H](O)c1ccccc1 ZINC000895476122 618789781 /nfs/dbraw/zinc/78/97/81/618789781.db2.gz FUCLOIPIKOYTCY-SJLPKXTDSA-N 1 0 315.413 3.311 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c1 ZINC000895659159 618813353 /nfs/dbraw/zinc/81/33/53/618813353.db2.gz UHRMRHLOQLLXAV-GOSISDBHSA-N 1 0 315.413 3.393 20 10 DGCDRO C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(F)c(F)c1[O-] ZINC000895683187 618818629 /nfs/dbraw/zinc/81/86/29/618818629.db2.gz IHTATZZLFBGNOU-UHFFFAOYSA-N 1 0 312.404 3.368 20 10 DGCDRO COc1cccc(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)c1O ZINC000895716563 618822126 /nfs/dbraw/zinc/82/21/26/618822126.db2.gz JCWSRUDNCLUIQE-INIZCTEOSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1ccc(C[N@H+](CCO)Cc2cccc(Cl)c2[O-])cc1 ZINC000895709693 618822441 /nfs/dbraw/zinc/82/24/41/618822441.db2.gz BNKJJJGWDYILMH-UHFFFAOYSA-N 1 0 321.804 3.049 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H]2CCCC2(F)F)c(O)c1OC ZINC000895995559 618860326 /nfs/dbraw/zinc/86/03/26/618860326.db2.gz JDZOPWDAUZUWHM-LBPRGKRZSA-N 1 0 315.360 3.325 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000896227828 618888979 /nfs/dbraw/zinc/88/89/79/618888979.db2.gz PCNOZMVYBZOQFP-ZDUSSCGKSA-N 1 0 319.298 3.267 20 10 DGCDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000896490269 618917883 /nfs/dbraw/zinc/91/78/83/618917883.db2.gz RIUUBHNIQPFBDD-LLVKDONJSA-N 1 0 323.799 3.298 20 10 DGCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000896737353 618951483 /nfs/dbraw/zinc/95/14/83/618951483.db2.gz RRYAZBNSYZBJSG-KDOFPFPSSA-N 1 0 313.397 3.096 20 10 DGCDRO Cc1ccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000896808044 618961893 /nfs/dbraw/zinc/96/18/93/618961893.db2.gz BHKPEGADKVPNDO-GXTWGEPZSA-N 1 0 303.324 3.290 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c1O ZINC000897037525 619005266 /nfs/dbraw/zinc/00/52/66/619005266.db2.gz PTCJKQZCNJVZTF-UHFFFAOYSA-N 1 0 317.351 3.091 20 10 DGCDRO Cc1nc(C)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000788020450 619031779 /nfs/dbraw/zinc/03/17/79/619031779.db2.gz QNNNJBAOLTVXOS-MRXNPFEDSA-N 1 0 316.401 3.178 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2OCCc3ccccc32)c1 ZINC000897234540 619033908 /nfs/dbraw/zinc/03/39/08/619033908.db2.gz NMCYHKZHQYTQKT-IBGZPJMESA-N 1 0 313.397 3.195 20 10 DGCDRO COC(=O)CCC1([NH2+]Cc2cccc(OC)c2O)CCCCC1 ZINC000897338609 619064217 /nfs/dbraw/zinc/06/42/17/619064217.db2.gz SJPOFOLUQHLCGT-UHFFFAOYSA-N 1 0 321.417 3.147 20 10 DGCDRO CN(C)c1ccc([C@@H](CNc2cccc(F)n2)[NH+](C)C)cc1 ZINC000897524602 619147303 /nfs/dbraw/zinc/14/73/03/619147303.db2.gz AEVVXIXPXAFEMD-OAHLLOKOSA-N 1 0 302.397 3.002 20 10 DGCDRO Nc1ccc(CC[NH2+]Cc2ccc(OCC(F)F)cc2)cc1 ZINC000841036477 619190875 /nfs/dbraw/zinc/19/08/75/619190875.db2.gz SLTODRNWKYRGNT-UHFFFAOYSA-N 1 0 306.356 3.245 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(CCO)cc2)cc1 ZINC000898169417 619220198 /nfs/dbraw/zinc/22/01/98/619220198.db2.gz BZFHQLVAFIGDJL-ONEGZZNKSA-N 1 0 310.441 3.090 20 10 DGCDRO COc1ccc(C[N@H+](CCCO)Cc2c(C)cccc2O)cc1 ZINC000898173016 619220586 /nfs/dbraw/zinc/22/05/86/619220586.db2.gz FNAXBOUOLWLZGJ-UHFFFAOYSA-N 1 0 315.413 3.094 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccccc2Cl)cc1 ZINC000841044159 619246136 /nfs/dbraw/zinc/24/61/36/619246136.db2.gz UFBDXHVOMOCQFD-QGZVFWFLSA-N 1 0 303.837 3.196 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)CC2 ZINC000926914739 619248239 /nfs/dbraw/zinc/24/82/39/619248239.db2.gz JAZJYSNJDPWIOL-BZPMIXESSA-N 1 0 315.335 3.469 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c(O)c1 ZINC000926922906 619249704 /nfs/dbraw/zinc/24/97/04/619249704.db2.gz SFDWUDLWGSODCC-OLZOCXBDSA-N 1 0 316.367 3.378 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccccc1O ZINC000926923799 619249802 /nfs/dbraw/zinc/24/98/02/619249802.db2.gz YUQHUTXIHLUGKP-OCCSQVGLSA-N 1 0 316.367 3.460 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000926929639 619250448 /nfs/dbraw/zinc/25/04/48/619250448.db2.gz YHVCKHZBFNYVHR-SNVBAGLBSA-N 1 0 313.323 3.304 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c(O)c1 ZINC000926959025 619252492 /nfs/dbraw/zinc/25/24/92/619252492.db2.gz AINKUILQSXSWPW-FZMZJTMJSA-N 1 0 304.356 3.234 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c(O)c1 ZINC000926959024 619252668 /nfs/dbraw/zinc/25/26/68/619252668.db2.gz AINKUILQSXSWPW-BXUZGUMPSA-N 1 0 304.356 3.234 20 10 DGCDRO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000924706293 619261585 /nfs/dbraw/zinc/26/15/85/619261585.db2.gz GIMCRTMDAVCKKD-HUUCEWRRSA-N 1 0 320.502 3.000 20 10 DGCDRO COC(=O)C1(CCCC[NH2+]Cc2cc(C)ccc2O)CCC1 ZINC000898413094 619271997 /nfs/dbraw/zinc/27/19/97/619271997.db2.gz LNFJUBJLUQCHDX-UHFFFAOYSA-N 1 0 305.418 3.304 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCSCC2)N(C)C)cc1 ZINC000898448164 619275673 /nfs/dbraw/zinc/27/56/73/619275673.db2.gz QFIOAWGJDOUHMF-AEFFLSMTSA-N 1 0 321.534 3.231 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+]CC2CCSCC2)N(C)C)cc1 ZINC000898446831 619276862 /nfs/dbraw/zinc/27/68/62/619276862.db2.gz CBVDOWDRMNBVNV-GOSISDBHSA-N 1 0 321.534 3.088 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCc3cccnc32)N(C)C)cc1 ZINC000898447959 619276873 /nfs/dbraw/zinc/27/68/73/619276873.db2.gz NSTYPHIBJPUJMP-OALUTQOASA-N 1 0 324.472 3.027 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000898512330 619281813 /nfs/dbraw/zinc/28/18/13/619281813.db2.gz ISXZHINRIPZZMZ-HZPDHXFCSA-N 1 0 319.445 3.348 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(C(F)(F)F)cc1O ZINC000927147007 619292980 /nfs/dbraw/zinc/29/29/80/619292980.db2.gz IDMGZYPYQBRDCG-GAFUQQFSSA-N 1 0 303.324 3.223 20 10 DGCDRO CC[C@@H]1c2ccccc2C[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902666446 619662442 /nfs/dbraw/zinc/66/24/42/619662442.db2.gz PYJODNOCLBSDGL-AEFFLSMTSA-N 1 0 311.381 3.285 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc1 ZINC000902754425 619670875 /nfs/dbraw/zinc/67/08/75/619670875.db2.gz CDNPKUSQBMBILG-CENDIDJXSA-N 1 0 314.473 3.436 20 10 DGCDRO CCO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000903047982 619710192 /nfs/dbraw/zinc/71/01/92/619710192.db2.gz VGLKTBFORCFLLY-JTDSTZFVSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2nc3c(s2)CCC3)c1O ZINC000903191378 619737739 /nfs/dbraw/zinc/73/77/39/619737739.db2.gz VHRWFFVBUVLMDL-JTQLQIEISA-N 1 0 304.415 3.197 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc(CN(C)C)cs2)c(O)c1 ZINC000903223079 619741900 /nfs/dbraw/zinc/74/19/00/619741900.db2.gz TWJZMFIIFQUQQG-GFCCVEGCSA-N 1 0 305.447 3.070 20 10 DGCDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000903238726 619742247 /nfs/dbraw/zinc/74/22/47/619742247.db2.gz URFJZDVAUQELOW-ZDUSSCGKSA-N 1 0 318.417 3.026 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1ccc(C)cc1O ZINC000903269683 619749609 /nfs/dbraw/zinc/74/96/09/619749609.db2.gz AZEHAWCAFPAVOR-YESZJQIVSA-N 1 0 320.502 3.321 20 10 DGCDRO C[C@@H]([NH2+]CC1(C)CCC2(CC1)OCCO2)c1ccccc1O ZINC000903269050 619749652 /nfs/dbraw/zinc/74/96/52/619749652.db2.gz VVRDNOSSLIPZFG-CQSZACIVSA-N 1 0 305.418 3.366 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(F)c2)c1 ZINC000903308031 619756627 /nfs/dbraw/zinc/75/66/27/619756627.db2.gz GITNIGJPWXEZJR-ACJLOTCBSA-N 1 0 303.377 3.398 20 10 DGCDRO CC[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1ccccc1O ZINC000903308613 619757051 /nfs/dbraw/zinc/75/70/51/619757051.db2.gz JUHOJOPPLFIOBH-AEFFLSMTSA-N 1 0 303.377 3.480 20 10 DGCDRO CO[C@]1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CCSC1 ZINC000903314736 619758317 /nfs/dbraw/zinc/75/83/17/619758317.db2.gz PFCQFSMYCOVKDN-IETSOEAISA-N 1 0 311.422 3.191 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(C(F)(F)F)cc1O ZINC000903317395 619758805 /nfs/dbraw/zinc/75/88/05/619758805.db2.gz KFYCSRYBNRXHRZ-AAEUAGOBSA-N 1 0 302.340 3.156 20 10 DGCDRO CC[C@@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1ccc(C)cc1O ZINC000903357572 619764596 /nfs/dbraw/zinc/76/45/96/619764596.db2.gz NUDONISHGNSPBC-SJLPKXTDSA-N 1 0 307.434 3.325 20 10 DGCDRO CC[C@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1ccc(N(C)C)cc1 ZINC000903360696 619765277 /nfs/dbraw/zinc/76/52/77/619765277.db2.gz LSTJHHQMOOCCPA-RBUKOAKNSA-N 1 0 320.477 3.377 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(OC(C)C)CCOC2)cc1 ZINC000903359588 619765283 /nfs/dbraw/zinc/76/52/83/619765283.db2.gz DPPBWRYBRSVLKJ-APWZRJJASA-N 1 0 320.477 3.377 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1cc(Cl)ccc1O ZINC000903391604 619766541 /nfs/dbraw/zinc/76/65/41/619766541.db2.gz ZIKNESWSXSPVPY-NHYWBVRUSA-N 1 0 311.809 3.034 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1cc(Cl)ccc1O ZINC000903391603 619766605 /nfs/dbraw/zinc/76/66/05/619766605.db2.gz ZIKNESWSXSPVPY-IAQYHMDHSA-N 1 0 311.809 3.034 20 10 DGCDRO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1=O ZINC000903391921 619766728 /nfs/dbraw/zinc/76/67/28/619766728.db2.gz JGQUILAROOBZHZ-DYVFJYSZSA-N 1 0 312.413 3.207 20 10 DGCDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1=O ZINC000903391922 619766795 /nfs/dbraw/zinc/76/67/95/619766795.db2.gz JGQUILAROOBZHZ-GUYCJALGSA-N 1 0 312.413 3.207 20 10 DGCDRO Cc1ccc([C@@H](C)N[C@@H](CC[NH+](C)C)c2cccnc2)c(O)c1 ZINC000903379400 619768343 /nfs/dbraw/zinc/76/83/43/619768343.db2.gz GLAKDISMNUEMAK-QAPCUYQASA-N 1 0 313.445 3.439 20 10 DGCDRO C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1c(O)cccc1F ZINC000903379518 619768382 /nfs/dbraw/zinc/76/83/82/619768382.db2.gz XIZASDFQPBTWGG-CZUORRHYSA-N 1 0 317.408 3.270 20 10 DGCDRO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cscn1 ZINC000903447832 619778168 /nfs/dbraw/zinc/77/81/68/619778168.db2.gz CWYJLXUHWLVXBY-CXAGYDPISA-N 1 0 318.490 3.163 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1(Cl)CC1 ZINC000903449002 619778616 /nfs/dbraw/zinc/77/86/16/619778616.db2.gz VEJFYRUTGYKNGB-CJNGLKHVSA-N 1 0 309.885 3.105 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000903451036 619779033 /nfs/dbraw/zinc/77/90/33/619779033.db2.gz QNEYSFSKHJQLDX-KZVDOYCCSA-N 1 0 321.392 3.401 20 10 DGCDRO [NH3+][C@H](CC(F)F)CN1CCCc2cc(OC(F)F)ccc21 ZINC000903906338 619832417 /nfs/dbraw/zinc/83/24/17/619832417.db2.gz VPBYCCVWXZMONA-SNVBAGLBSA-N 1 0 306.303 3.023 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)ccn3)cc2)CC1 ZINC000905415001 619996047 /nfs/dbraw/zinc/99/60/47/619996047.db2.gz SQKVAOOTBLVCRA-UHFFFAOYSA-N 1 0 316.836 3.099 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H](C)CC3)c2c1 ZINC000905740043 620024704 /nfs/dbraw/zinc/02/47/04/620024704.db2.gz PXTAFNOMZOIFLM-ZDUSSCGKSA-N 1 0 301.386 3.165 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)Cn2cccn2)cc1F ZINC000152059464 620489733 /nfs/dbraw/zinc/48/97/33/620489733.db2.gz WQTWBAZQSHRHSL-AWEZNQCLSA-N 1 0 304.413 3.047 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc1C ZINC000914569104 620542493 /nfs/dbraw/zinc/54/24/93/620542493.db2.gz QMOWCXKEFALSFN-UHFFFAOYSA-N 1 0 318.461 3.089 20 10 DGCDRO COc1cc(C[N@@H+]2CCCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000754739481 620578346 /nfs/dbraw/zinc/57/83/46/620578346.db2.gz CCXXLOPEPFOHDP-ZDUSSCGKSA-N 1 0 307.434 3.309 20 10 DGCDRO COCCC[N@H+](CCOC)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000921055407 620835616 /nfs/dbraw/zinc/83/56/16/620835616.db2.gz OJHLHGMTVYKHKO-UHFFFAOYSA-N 1 0 323.477 3.483 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1OC ZINC000921473734 620860004 /nfs/dbraw/zinc/86/00/04/620860004.db2.gz ZENYNCUHYWKEFN-UHFFFAOYSA-N 1 0 313.397 3.319 20 10 DGCDRO CC(=O)Nc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113335245 620904556 /nfs/dbraw/zinc/90/45/56/620904556.db2.gz KYNMICZHBQMWSH-UHFFFAOYSA-N 1 0 318.804 3.336 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccnn2C2CCC2)cc1F ZINC000921623376 620916823 /nfs/dbraw/zinc/91/68/23/620916823.db2.gz KOQYYVFEJVPMRR-UHFFFAOYSA-N 1 0 302.397 3.103 20 10 DGCDRO Cc1nn(C)c(C[NH2+]Cc2ccc(N(C)C)cc2C)c1Cl ZINC000921746404 620943594 /nfs/dbraw/zinc/94/35/94/620943594.db2.gz CKMSGTMGRBHPBF-UHFFFAOYSA-N 1 0 306.841 3.046 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cnn(C3CCC3)c2)n1 ZINC000921755192 620944920 /nfs/dbraw/zinc/94/49/20/620944920.db2.gz QQXQBOMLLHFYBT-UHFFFAOYSA-N 1 0 308.476 3.337 20 10 DGCDRO c1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc3c(c2)CCCO3)ccn1 ZINC000922023713 620981603 /nfs/dbraw/zinc/98/16/03/620981603.db2.gz LZSKQZFQZVTDHG-AZUAARDMSA-N 1 0 324.424 3.417 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@H]2CC2(Cl)Cl)c1 ZINC000856807381 621023930 /nfs/dbraw/zinc/02/39/30/621023930.db2.gz NWWNGRZNGPNKCW-NSHDSACASA-N 1 0 304.217 3.464 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]CC2CC(C)C2)c1O ZINC000856811389 621024960 /nfs/dbraw/zinc/02/49/60/621024960.db2.gz OJSZLWXPCIXTCU-UHFFFAOYSA-N 1 0 314.223 3.299 20 10 DGCDRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCc3ccccc3O)c2)C1 ZINC000857094149 621057465 /nfs/dbraw/zinc/05/74/65/621057465.db2.gz UENNUCOZENVDOC-SFHVURJKSA-N 1 0 324.424 3.131 20 10 DGCDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000922665932 621076195 /nfs/dbraw/zinc/07/61/95/621076195.db2.gz UPAOSUCTVOPMLX-LLVKDONJSA-N 1 0 303.333 3.419 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000922679791 621080288 /nfs/dbraw/zinc/08/02/88/621080288.db2.gz REINGMIWKDRCFA-HUUCEWRRSA-N 1 0 316.367 3.342 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1F ZINC000922728074 621091970 /nfs/dbraw/zinc/09/19/70/621091970.db2.gz FPFHSQAJTAZTQI-WCBMZHEXSA-N 1 0 308.294 3.319 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857868856 621125206 /nfs/dbraw/zinc/12/52/06/621125206.db2.gz DXXIYUIJDWXHOL-RDTXWAMCSA-N 1 0 312.461 3.382 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)c(O)c1 ZINC000857875347 621126564 /nfs/dbraw/zinc/12/65/64/621126564.db2.gz KVWGWWHCVGDWNU-SCLBCKFNSA-N 1 0 310.397 3.065 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)c(O)c1C ZINC000857875138 621126620 /nfs/dbraw/zinc/12/66/20/621126620.db2.gz HFURNZDIKRYGBT-KDOFPFPSSA-N 1 0 324.424 3.373 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c(O)c1 ZINC000922896302 621127590 /nfs/dbraw/zinc/12/75/90/621127590.db2.gz IKXBSZWHKWRAPY-QAPCUYQASA-N 1 0 305.418 3.086 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c1O ZINC000922897945 621128458 /nfs/dbraw/zinc/12/84/58/621128458.db2.gz PAZQYORSXSBMJY-RDJZCZTQSA-N 1 0 305.418 3.086 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)CCCO2 ZINC000922901290 621129239 /nfs/dbraw/zinc/12/92/39/621129239.db2.gz OREUFKNAEMPLKF-HKUYNNGSSA-N 1 0 301.430 3.306 20 10 DGCDRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)/C=C\c2cccnc2)C1 ZINC000857932786 621134339 /nfs/dbraw/zinc/13/43/39/621134339.db2.gz WBBMNSSQPZWQTI-ZVBPTUHVSA-N 1 0 321.424 3.004 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858086906 621150736 /nfs/dbraw/zinc/15/07/36/621150736.db2.gz PNDNIEJMRKDVAX-UHFFFAOYSA-N 1 0 306.356 3.329 20 10 DGCDRO Cc1csc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000858094246 621151866 /nfs/dbraw/zinc/15/18/66/621151866.db2.gz NHWFIMAQKFAVRL-UHFFFAOYSA-N 1 0 311.401 3.128 20 10 DGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000858156850 621159902 /nfs/dbraw/zinc/15/99/02/621159902.db2.gz SGDXQHNXCVJXEL-DYVFJYSZSA-N 1 0 312.404 3.324 20 10 DGCDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858228663 621166286 /nfs/dbraw/zinc/16/62/86/621166286.db2.gz IXNNMMDLVJVINI-APWZRJJASA-N 1 0 300.446 3.334 20 10 DGCDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1cc(C)ccc1O ZINC000858238554 621167374 /nfs/dbraw/zinc/16/73/74/621167374.db2.gz ALFLACJMMGTJFL-UHFFFAOYSA-N 1 0 322.412 3.188 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c1 ZINC000858453402 621193039 /nfs/dbraw/zinc/19/30/39/621193039.db2.gz KVPDUOHGMVGVPB-GUYCJALGSA-N 1 0 313.397 3.193 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c1O ZINC000858454571 621193559 /nfs/dbraw/zinc/19/35/59/621193559.db2.gz HGFVPLCLSKLIKC-CJNGLKHVSA-N 1 0 313.397 3.193 20 10 DGCDRO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000858473889 621195584 /nfs/dbraw/zinc/19/55/84/621195584.db2.gz RLFXELRJDNFZIM-GXFFZTMASA-N 1 0 309.793 3.266 20 10 DGCDRO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000858473537 621195642 /nfs/dbraw/zinc/19/56/42/621195642.db2.gz PBVKXDDZFGVHQK-MLGOLLRUSA-N 1 0 315.413 3.183 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(C)cc1O ZINC000858479359 621196184 /nfs/dbraw/zinc/19/61/84/621196184.db2.gz PQYWSQBNPANRNB-DZGCQCFKSA-N 1 0 312.404 3.471 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c1O ZINC000858531723 621202313 /nfs/dbraw/zinc/20/23/13/621202313.db2.gz JLUUDQDWUBRQFY-HIFRSBDPSA-N 1 0 304.434 3.068 20 10 DGCDRO CCCC[N@H+](CC(=O)NCC(C)(C)C)Cc1ccccc1O ZINC000859296405 621268033 /nfs/dbraw/zinc/26/80/33/621268033.db2.gz IQGCPKXKKJMIMK-UHFFFAOYSA-N 1 0 306.450 3.157 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@@H]1SC ZINC000838947005 621302169 /nfs/dbraw/zinc/30/21/69/621302169.db2.gz BGGTYRQEZGOYFG-BBWFWOEESA-N 1 0 308.491 3.060 20 10 DGCDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000839150784 621333642 /nfs/dbraw/zinc/33/36/42/621333642.db2.gz NIGIDTPBIXEXID-ZDUSSCGKSA-N 1 0 314.385 3.017 20 10 DGCDRO Cc1ccc(O)c(CNc2ccc(OCC[NH+](C)C)c(F)c2)c1 ZINC000839188209 621345896 /nfs/dbraw/zinc/34/58/96/621345896.db2.gz DQXBHINHSINCRH-UHFFFAOYSA-N 1 0 318.392 3.392 20 10 DGCDRO COc1cccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1O ZINC000839191784 621346917 /nfs/dbraw/zinc/34/69/17/621346917.db2.gz JLEULXPCJTYJDT-LSDHHAIUSA-N 1 0 307.434 3.473 20 10 DGCDRO C[C@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC=CCC1 ZINC000839190833 621346924 /nfs/dbraw/zinc/34/69/24/621346924.db2.gz DRGNLANAQYULGS-SFHVURJKSA-N 1 0 304.409 3.251 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)c1O ZINC000839191411 621346964 /nfs/dbraw/zinc/34/69/64/621346964.db2.gz JLEULXPCJTYJDT-CABCVRRESA-N 1 0 307.434 3.473 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)c1 ZINC000839192782 621347836 /nfs/dbraw/zinc/34/78/36/621347836.db2.gz TUJZQTCYVGOGHR-CVEARBPZSA-N 1 0 307.434 3.473 20 10 DGCDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000117393084 621392646 /nfs/dbraw/zinc/39/26/46/621392646.db2.gz RIAWEWAMTIBCQQ-AEFFLSMTSA-N 1 0 320.502 3.287 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000752936919 621416554 /nfs/dbraw/zinc/41/65/54/621416554.db2.gz OITYMFVELHLYRE-UHFFFAOYSA-N 1 0 300.446 3.336 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000753762626 621463589 /nfs/dbraw/zinc/46/35/89/621463589.db2.gz JNNDYRCMXINBJT-OXQOHEQNSA-N 1 0 312.457 3.397 20 10 DGCDRO C[C@H]1COCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000753995449 621478706 /nfs/dbraw/zinc/47/87/06/621478706.db2.gz VOADUPXFMCRELW-CYBMUJFWSA-N 1 0 315.413 3.486 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2ccnc(N(C)C)c2)C2CC2)cc1 ZINC000754009301 621479617 /nfs/dbraw/zinc/47/96/17/621479617.db2.gz AYJDJKJCSCBSPY-UHFFFAOYSA-N 1 0 324.472 3.378 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC3(C2)CCOCC3)cc1F ZINC000862250630 621567560 /nfs/dbraw/zinc/56/75/60/621567560.db2.gz MUSGGNJTGKBSFB-UHFFFAOYSA-N 1 0 310.388 3.033 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc2ccccc2n1 ZINC000862279050 621571452 /nfs/dbraw/zinc/57/14/52/621571452.db2.gz KVDFXDNIFSXMFJ-UHFFFAOYSA-N 1 0 306.413 3.294 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@H](O)c2ccccc2)cc1F ZINC000862367891 621579872 /nfs/dbraw/zinc/57/98/72/621579872.db2.gz YPWXGSUPHBRBLF-SFHVURJKSA-N 1 0 320.383 3.244 20 10 DGCDRO COCCC1(C)C[NH+](Cc2c(O)cccc2Br)C1 ZINC000862390418 621583499 /nfs/dbraw/zinc/58/34/99/621583499.db2.gz WQPLKDXGCKXONU-UHFFFAOYSA-N 1 0 314.223 3.013 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1F ZINC000862398291 621584275 /nfs/dbraw/zinc/58/42/75/621584275.db2.gz DMQLHRFMMJIRAZ-CQSZACIVSA-N 1 0 317.383 3.415 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C3CC(F)(F)C3)C2)cc1 ZINC000862408059 621586174 /nfs/dbraw/zinc/58/61/74/621586174.db2.gz SHXOEFGKGFQUSJ-GXTWGEPZSA-N 1 0 310.388 3.297 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1O ZINC000862434796 621589284 /nfs/dbraw/zinc/58/92/84/621589284.db2.gz HPEDSKSIOVUVGJ-ZDUSSCGKSA-N 1 0 313.323 3.044 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cc1C ZINC000862482644 621593950 /nfs/dbraw/zinc/59/39/50/621593950.db2.gz KMGVHUXILNJDNV-HXUWFJFHSA-N 1 0 311.425 3.493 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862486101 621594757 /nfs/dbraw/zinc/59/47/57/621594757.db2.gz VNOZKPUCBAGRSY-ZFWWWQNUSA-N 1 0 305.418 3.192 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000862485139 621594911 /nfs/dbraw/zinc/59/49/11/621594911.db2.gz HSBDAWPSZCKOBZ-IUODEOHRSA-N 1 0 323.408 3.331 20 10 DGCDRO CCC(O)(CC)C[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000862538577 621598288 /nfs/dbraw/zinc/59/82/88/621598288.db2.gz AXRWBQIOPUBZFP-UHFFFAOYSA-N 1 0 301.814 3.037 20 10 DGCDRO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC000756032406 621610705 /nfs/dbraw/zinc/61/07/05/621610705.db2.gz QDZPFMVHDWIFGE-QGZVFWFLSA-N 1 0 310.441 3.408 20 10 DGCDRO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756378452 621633101 /nfs/dbraw/zinc/63/31/01/621633101.db2.gz DTIYFVQZWKAVLV-MEBBXXQBSA-N 1 0 317.408 3.262 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN3CCCC[C@H]23)c2c1c(F)ccc2O ZINC000756431630 621638089 /nfs/dbraw/zinc/63/80/89/621638089.db2.gz OHSBVKYHPKXZSW-UQOMUDLDSA-N 1 0 304.409 3.296 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000756434409 621638224 /nfs/dbraw/zinc/63/82/24/621638224.db2.gz XALYFNUYNVKVDJ-UGSOOPFHSA-N 1 0 302.462 3.262 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CO)c2c1c(F)ccc2O ZINC000756459505 621639920 /nfs/dbraw/zinc/63/99/20/621639920.db2.gz ORKDJHMXMWKENR-IAQYHMDHSA-N 1 0 301.361 3.362 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COc3ccccc3C2)c1 ZINC000756459795 621640162 /nfs/dbraw/zinc/64/01/62/621640162.db2.gz XIRPCCALCQDVNA-UONOGXRCSA-N 1 0 313.397 3.303 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccn2)c(O)c1C ZINC000756480132 621640826 /nfs/dbraw/zinc/64/08/26/621640826.db2.gz RDFMCSWJVMWNNT-AWEZNQCLSA-N 1 0 313.401 3.083 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(Cl)ccc1O ZINC000756501179 621643047 /nfs/dbraw/zinc/64/30/47/621643047.db2.gz BPCHGJVBONSLCQ-SNVBAGLBSA-N 1 0 318.795 3.426 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c2c1c(F)ccc2O ZINC000756517953 621644495 /nfs/dbraw/zinc/64/44/95/621644495.db2.gz RIRWOGJETOWBCE-JQWIXIFHSA-N 1 0 324.396 3.194 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000756552438 621646972 /nfs/dbraw/zinc/64/69/72/621646972.db2.gz MGIJRFOAYIGCQI-KKUMJFAQSA-N 1 0 306.450 3.314 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCOc2cccnc2)c2c1c(F)ccc2O ZINC000756570952 621650355 /nfs/dbraw/zinc/65/03/55/621650355.db2.gz GWJSSXYAOHXGCL-FZMZJTMJSA-N 1 0 302.349 3.143 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c2c1c(F)ccc2O ZINC000756588134 621651264 /nfs/dbraw/zinc/65/12/64/621651264.db2.gz FLJJDNGVAYIDMZ-NNJUXLKUSA-N 1 0 313.438 3.216 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c2c1c(F)ccc2O ZINC000756606025 621652346 /nfs/dbraw/zinc/65/23/46/621652346.db2.gz KPZAEMYEKBGOKA-IGBZNEDDSA-N 1 0 305.393 3.483 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(N(C)C)CCSC2)c2c1c(F)ccc2O ZINC000756638600 621655177 /nfs/dbraw/zinc/65/51/77/621655177.db2.gz UWZGVILSYBXIRJ-NDGTYSDOSA-N 1 0 324.465 3.107 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2c(C)noc2C)c1 ZINC000756640888 621655338 /nfs/dbraw/zinc/65/53/38/621655338.db2.gz QKLYFPUHTNQLKO-NSHDSACASA-N 1 0 304.390 3.289 20 10 DGCDRO COC(C)(C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756648128 621655613 /nfs/dbraw/zinc/65/56/13/621655613.db2.gz YVQHEJHAIVLCNS-VIFPVBQESA-N 1 0 302.212 3.230 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c2c1c(F)ccc2O ZINC000756644442 621655658 /nfs/dbraw/zinc/65/56/58/621655658.db2.gz AGGLJAWMJFRHEW-HKCMKHECSA-N 1 0 304.409 3.152 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Cl)ccc1O ZINC000756661338 621657043 /nfs/dbraw/zinc/65/70/43/621657043.db2.gz RANFJMOBFADVSO-NWDGAFQWSA-N 1 0 309.793 3.140 20 10 DGCDRO CCOc1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)ccc1O ZINC000756683360 621658267 /nfs/dbraw/zinc/65/82/67/621658267.db2.gz MJPFNHYMVSOUSU-LBPRGKRZSA-N 1 0 317.385 3.356 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756710666 621659951 /nfs/dbraw/zinc/65/99/51/621659951.db2.gz DWZKPKUKVSZVLT-RHSMWYFYSA-N 1 0 315.413 3.402 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c(O)c1 ZINC000756741117 621661708 /nfs/dbraw/zinc/66/17/08/621661708.db2.gz CYJMCDSHRHVSPC-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cn[nH]c32)c2c1c(F)ccc2O ZINC000756761903 621662623 /nfs/dbraw/zinc/66/26/23/621662623.db2.gz NBMPYOQBMSOOOJ-JIMOISOXSA-N 1 0 301.365 3.470 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cn[nH]c32)c2c1c(F)ccc2O ZINC000756761906 621662703 /nfs/dbraw/zinc/66/27/03/621662703.db2.gz NBMPYOQBMSOOOJ-OASPWFOLSA-N 1 0 301.365 3.470 20 10 DGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)C2 ZINC000756774967 621663744 /nfs/dbraw/zinc/66/37/44/621663744.db2.gz MYWPOXDSPDBRFV-UKRRQHHQSA-N 1 0 313.397 3.364 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CN(C)Cc3ccccc32)c(O)c1 ZINC000756997767 621678285 /nfs/dbraw/zinc/67/82/85/621678285.db2.gz YPNWAEBPIIGJJW-SFHVURJKSA-N 1 0 312.413 3.067 20 10 DGCDRO CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000863546572 621682316 /nfs/dbraw/zinc/68/23/16/621682316.db2.gz LFXAZHNRCFKAJL-TVYUQYBPSA-N 1 0 302.340 3.202 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)CCCC2 ZINC000789500070 625511782 /nfs/dbraw/zinc/51/17/82/625511782.db2.gz BZPDCUJLXWFVAS-MJGOQNOKSA-N 1 0 301.430 3.414 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000839562907 621697076 /nfs/dbraw/zinc/69/70/76/621697076.db2.gz FMIAGCKEWGVREQ-IFXJQAMLSA-N 1 0 323.440 3.357 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1F ZINC000864053445 621732645 /nfs/dbraw/zinc/73/26/45/621732645.db2.gz KQFSYKHWRJZIEW-UGSOOPFHSA-N 1 0 324.415 3.326 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1 ZINC000758546403 621788030 /nfs/dbraw/zinc/78/80/30/621788030.db2.gz OYUQZXWQTSNARJ-QGZVFWFLSA-N 1 0 310.441 3.495 20 10 DGCDRO c1cncc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000758633150 621792690 /nfs/dbraw/zinc/79/26/90/621792690.db2.gz RYOUEJIZUFQNRX-FQEVSTJZSA-N 1 0 323.440 3.159 20 10 DGCDRO CCC(CC)(CO)C[NH2+]Cc1cc(Br)ccc1O ZINC000120483653 621896316 /nfs/dbraw/zinc/89/63/16/621896316.db2.gz HQBUTBZHSAISHN-UHFFFAOYSA-N 1 0 316.239 3.043 20 10 DGCDRO COc1cc(Cl)c(C[NH2+]Cc2ccccc2O)cc1OC ZINC000865441409 621922240 /nfs/dbraw/zinc/92/22/40/621922240.db2.gz CYNNYIFFGDIETP-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1O ZINC000865650331 621970978 /nfs/dbraw/zinc/97/09/78/621970978.db2.gz IPSBPMLVWWTEJZ-APWZRJJASA-N 1 0 313.397 3.411 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000865712213 621981506 /nfs/dbraw/zinc/98/15/06/621981506.db2.gz YADMNMJLJUHEQE-SWLSCSKDSA-N 1 0 316.367 3.078 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c(O)c1 ZINC000865762314 621990670 /nfs/dbraw/zinc/99/06/70/621990670.db2.gz NOCMNHYKKIKNAG-MAUKXSAKSA-N 1 0 305.418 3.086 20 10 DGCDRO CCOc1cccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c1O ZINC000865856260 622009115 /nfs/dbraw/zinc/00/91/15/622009115.db2.gz DMGSZDBYQDJDKJ-INIZCTEOSA-N 1 0 305.418 3.372 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000866414540 622114110 /nfs/dbraw/zinc/11/41/10/622114110.db2.gz HZVHEBPQDVLTBO-FMKPAKJESA-N 1 0 306.425 3.238 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCOCC(=O)OC(C)(C)C)c(O)c1C ZINC000866438591 622118661 /nfs/dbraw/zinc/11/86/61/622118661.db2.gz ZFNKVBRIYRCNIJ-CQSZACIVSA-N 1 0 323.433 3.018 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866465792 622122650 /nfs/dbraw/zinc/12/26/50/622122650.db2.gz VKIYWPRTXUYCPQ-LEWSCRJBSA-N 1 0 304.356 3.105 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccnn1C ZINC000866613564 622147124 /nfs/dbraw/zinc/14/71/24/622147124.db2.gz IECRKAXTGUSQFS-UWVGGRQHSA-N 1 0 324.222 3.300 20 10 DGCDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000763496001 622147986 /nfs/dbraw/zinc/14/79/86/622147986.db2.gz LVOFAGIDZAIPNX-GOSISDBHSA-N 1 0 315.413 3.226 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000763514486 622149142 /nfs/dbraw/zinc/14/91/42/622149142.db2.gz KKXORMVVECLHHO-UHFFFAOYSA-N 1 0 319.714 3.094 20 10 DGCDRO C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000764755082 622217493 /nfs/dbraw/zinc/21/74/93/622217493.db2.gz NCWGQUBDJYFNRP-KRWDZBQOSA-N 1 0 323.484 3.462 20 10 DGCDRO C[C@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)[S@@](C)=O ZINC000765287112 622256995 /nfs/dbraw/zinc/25/69/95/622256995.db2.gz SARODSSTLINOAC-JLCFBVMHSA-N 1 0 317.454 3.306 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCN1CC(F)F ZINC000765721055 622283950 /nfs/dbraw/zinc/28/39/50/622283950.db2.gz OCXLOMRXMUCUOD-HNNXBMFYSA-N 1 0 312.404 3.170 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)cc1 ZINC000765873607 622292326 /nfs/dbraw/zinc/29/23/26/622292326.db2.gz OCNZLAROFHONSN-QAPCUYQASA-N 1 0 301.478 3.278 20 10 DGCDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000765931752 622295049 /nfs/dbraw/zinc/29/50/49/622295049.db2.gz QONMMXRUQZOBFM-KXBFYZLASA-N 1 0 302.462 3.489 20 10 DGCDRO CC[S@](=O)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765946441 622295580 /nfs/dbraw/zinc/29/55/80/622295580.db2.gz RDZBUQFRGQNUED-ZHRRBRCNSA-N 1 0 322.518 3.486 20 10 DGCDRO C[C@@H](Cc1ccoc1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000766541761 622338048 /nfs/dbraw/zinc/33/80/48/622338048.db2.gz VDFVSKGANPVSMG-HOTGVXAUSA-N 1 0 314.429 3.398 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C[C@@H]3CCOC3)CC2)cc1 ZINC000766583238 622340631 /nfs/dbraw/zinc/34/06/31/622340631.db2.gz RYHUVCCYLMUPHV-HOTGVXAUSA-N 1 0 318.461 3.069 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000766587401 622340974 /nfs/dbraw/zinc/34/09/74/622340974.db2.gz XMKDKEHRJQJBNA-MDASCCDHSA-N 1 0 301.478 3.276 20 10 DGCDRO Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1c(O)cccc1Cl)C2 ZINC000767726560 622419171 /nfs/dbraw/zinc/41/91/71/622419171.db2.gz DMYAKIJYBGWTNO-CYBMUJFWSA-N 1 0 303.789 3.398 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC000768239442 622446978 /nfs/dbraw/zinc/44/69/78/622446978.db2.gz WEVYWLIGBDASNI-IBGZPJMESA-N 1 0 313.397 3.364 20 10 DGCDRO NC(=O)C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCCC1 ZINC000768258151 622447527 /nfs/dbraw/zinc/44/75/27/622447527.db2.gz QVVPTAVXHVNLOW-UHFFFAOYSA-N 1 0 324.424 3.289 20 10 DGCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768320259 622450095 /nfs/dbraw/zinc/45/00/95/622450095.db2.gz RRSDGSOVWOQJKW-QGZVFWFLSA-N 1 0 306.425 3.283 20 10 DGCDRO CCC[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768437839 622455646 /nfs/dbraw/zinc/45/56/46/622455646.db2.gz KFVWITPBUYYFHF-SFHVURJKSA-N 1 0 313.397 3.230 20 10 DGCDRO CC(C)C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CCCC1 ZINC000768439828 622456237 /nfs/dbraw/zinc/45/62/37/622456237.db2.gz KXNJRGHLFQNXLE-QGZVFWFLSA-N 1 0 305.418 3.219 20 10 DGCDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000768443047 622456287 /nfs/dbraw/zinc/45/62/87/622456287.db2.gz YBQMOZWONSGMHX-PBHICJAKSA-N 1 0 324.424 3.145 20 10 DGCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441154 622456458 /nfs/dbraw/zinc/45/64/58/622456458.db2.gz WHRLZWZBJQTWOU-SFHVURJKSA-N 1 0 313.397 3.149 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](n3ccnc3)C1)CCCC2 ZINC000768449428 622456670 /nfs/dbraw/zinc/45/66/70/622456670.db2.gz ZGKONDHLQPWTLW-SFHVURJKSA-N 1 0 311.429 3.305 20 10 DGCDRO CC(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768449274 622456815 /nfs/dbraw/zinc/45/68/15/622456815.db2.gz ZABGVBPIQVSICB-DYVFJYSZSA-N 1 0 305.418 3.076 20 10 DGCDRO C[C@@H](C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)c1ccccc1 ZINC000768449045 622456829 /nfs/dbraw/zinc/45/68/29/622456829.db2.gz DARQYBBEQLIJHF-SCLBCKFNSA-N 1 0 313.397 3.054 20 10 DGCDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768446238 622456864 /nfs/dbraw/zinc/45/68/64/622456864.db2.gz LROPACMFOGHOBO-RHSMWYFYSA-N 1 0 319.445 3.466 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1CN1CCCC1)CCCC2 ZINC000768447292 622456892 /nfs/dbraw/zinc/45/68/92/622456892.db2.gz OBVMPQUPNCNAOJ-LJQANCHMSA-N 1 0 314.473 3.331 20 10 DGCDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445158 622457188 /nfs/dbraw/zinc/45/71/88/622457188.db2.gz QEYVBTQFPLLXSW-XJKSGUPXSA-N 1 0 305.418 3.219 20 10 DGCDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465573 622458042 /nfs/dbraw/zinc/45/80/42/622458042.db2.gz ISCJFYYHZFJIRK-XGWLTEMNSA-N 1 0 305.418 3.219 20 10 DGCDRO COc1cc(C[N@@H+]2CCc3ccc(F)cc3C2)c(O)cc1C ZINC000768462137 622458126 /nfs/dbraw/zinc/45/81/26/622458126.db2.gz JWTXTABJKNMIMI-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO COc1cc(C[N@@H+]2CCc3cccc(F)c3C2)c(O)cc1C ZINC000768464621 622458268 /nfs/dbraw/zinc/45/82/68/622458268.db2.gz DHXZPALWRFJFMG-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000769209707 622508038 /nfs/dbraw/zinc/50/80/38/622508038.db2.gz SUXMSBYMMFSWOH-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000769228995 622508959 /nfs/dbraw/zinc/50/89/59/622508959.db2.gz HPTNAODAKSFTFE-QGZVFWFLSA-N 1 0 319.468 3.342 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000769232767 622509549 /nfs/dbraw/zinc/50/95/49/622509549.db2.gz KZBBFBLSLRAEGG-CQSZACIVSA-N 1 0 308.853 3.496 20 10 DGCDRO CN1CC[N@H+](Cc2cc(Cl)ccc2O)Cc2ccccc21 ZINC000769320129 622517220 /nfs/dbraw/zinc/51/72/20/622517220.db2.gz IYBSZFBSLVWVGP-UHFFFAOYSA-N 1 0 302.805 3.498 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCCO)Cc2ccccc2)cc1F ZINC000769325725 622517525 /nfs/dbraw/zinc/51/75/25/622517525.db2.gz AAASIADKORYGJC-UHFFFAOYSA-N 1 0 316.420 3.276 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000769397260 622524250 /nfs/dbraw/zinc/52/42/50/622524250.db2.gz OFOSGEMQMHHQQM-CQSZACIVSA-N 1 0 320.433 3.142 20 10 DGCDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469632 622530732 /nfs/dbraw/zinc/53/07/32/622530732.db2.gz BWQKSDHFBSWOHL-GOEBONIOSA-N 1 0 307.457 3.196 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)c1 ZINC000769473135 622531482 /nfs/dbraw/zinc/53/14/82/622531482.db2.gz LGXBWMNMTFAVAM-SJORKVTESA-N 1 0 307.434 3.426 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC)cc1 ZINC000769481487 622532365 /nfs/dbraw/zinc/53/23/65/622532365.db2.gz BERHQZWQBHKWLY-KRWDZBQOSA-N 1 0 304.434 3.060 20 10 DGCDRO CN1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C(C)(C)C1=O ZINC000769483423 622532436 /nfs/dbraw/zinc/53/24/36/622532436.db2.gz NBMBTHQNMATWHG-UHFFFAOYSA-N 1 0 324.424 3.112 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1C ZINC000769497249 622533970 /nfs/dbraw/zinc/53/39/70/622533970.db2.gz BCMTVDBBKRYIRI-OAHLLOKOSA-N 1 0 305.418 3.315 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)c1 ZINC000769499894 622534346 /nfs/dbraw/zinc/53/43/46/622534346.db2.gz SJSZLOGKUAZNEI-IBGZPJMESA-N 1 0 310.441 3.407 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCN(C)CC23CCCCC3)c(O)c1 ZINC000769548139 622539540 /nfs/dbraw/zinc/53/95/40/622539540.db2.gz FXRNWVHGBFTMMS-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1Cc2cccc(O)c2C1 ZINC000871200520 622566647 /nfs/dbraw/zinc/56/66/47/622566647.db2.gz DWGCMNMBDFPRFA-UHFFFAOYSA-N 1 0 322.408 3.144 20 10 DGCDRO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871204420 622568051 /nfs/dbraw/zinc/56/80/51/622568051.db2.gz IQAYDOFDMMIZPY-KRWDZBQOSA-N 1 0 314.429 3.032 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]CCc2ccco2)c1O ZINC000123564360 622595507 /nfs/dbraw/zinc/59/55/07/622595507.db2.gz RCKORLCETYORKC-UHFFFAOYSA-N 1 0 310.191 3.388 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1F ZINC000770292661 622618620 /nfs/dbraw/zinc/61/86/20/622618620.db2.gz NWZRPDGJWHXJIU-MAUKXSAKSA-N 1 0 308.441 3.265 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000770319738 622620868 /nfs/dbraw/zinc/62/08/68/622620868.db2.gz BGCYEBNKSIWDPJ-XJKSGUPXSA-N 1 0 317.385 3.082 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(N(C)C)cc1 ZINC000123895100 622747671 /nfs/dbraw/zinc/74/76/71/622747671.db2.gz QZRRAOBLIYCMKJ-WMLDXEAASA-N 1 0 301.434 3.299 20 10 DGCDRO CC[C@@H]([NH2+]CCCSc1nccs1)[C@H]1CCCOC1 ZINC000872038475 622767837 /nfs/dbraw/zinc/76/78/37/622767837.db2.gz NZCAHFKWFYOIHL-QWHCGFSZSA-N 1 0 300.493 3.420 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)CC2 ZINC000872129179 622823522 /nfs/dbraw/zinc/82/35/22/622823522.db2.gz VWBJZZHCAPSVRS-CVEARBPZSA-N 1 0 317.816 3.226 20 10 DGCDRO CCn1nc(C)c(C[N@H+](C)Cc2cc(C)cc(C)c2O)c1C ZINC000872632121 622945314 /nfs/dbraw/zinc/94/53/14/622945314.db2.gz FUEJRYOFGXIDHN-UHFFFAOYSA-N 1 0 301.434 3.474 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](C(C)=O)C3)c2c1 ZINC000872801133 622981108 /nfs/dbraw/zinc/98/11/08/622981108.db2.gz WFYDPDBSMSEDQV-HNNXBMFYSA-N 1 0 313.397 3.355 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(O)cc1C ZINC000773256549 623005398 /nfs/dbraw/zinc/00/53/98/623005398.db2.gz CIZOXLAGUOJLKO-JKSUJKDBSA-N 1 0 319.445 3.348 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(C(N)=O)cc2)cc1C ZINC000873007679 623015956 /nfs/dbraw/zinc/01/59/56/623015956.db2.gz ZOGMDTHHOVPPKO-UHFFFAOYSA-N 1 0 312.413 3.173 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCC(F)(F)C2)cc1Cn1cccn1 ZINC000873080598 623032961 /nfs/dbraw/zinc/03/29/61/623032961.db2.gz QRAIQSZMNIBMHB-HNNXBMFYSA-N 1 0 321.371 3.217 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1C ZINC000873100429 623035845 /nfs/dbraw/zinc/03/58/45/623035845.db2.gz UCBCFJZJUMRGRC-MJGOQNOKSA-N 1 0 319.445 3.212 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](CCO)C2CCOCC2)cc1C ZINC000873105946 623036459 /nfs/dbraw/zinc/03/64/59/623036459.db2.gz CUBNEBCDIZEDTI-GOSISDBHSA-N 1 0 321.461 3.051 20 10 DGCDRO COc1ccc(C[NH2+]Cc2occc2C)cc1Cn1cccn1 ZINC000873127903 623042185 /nfs/dbraw/zinc/04/21/85/623042185.db2.gz WFQWXFUFUTZLNP-UHFFFAOYSA-N 1 0 311.385 3.131 20 10 DGCDRO CCCOc1ccc(C[NH2+]C2(COC)CCOCC2)cc1C ZINC000873128350 623042671 /nfs/dbraw/zinc/04/26/71/623042671.db2.gz LSYONSVPEUEARV-UHFFFAOYSA-N 1 0 307.434 3.069 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)cc1C ZINC000873132323 623043674 /nfs/dbraw/zinc/04/36/74/623043674.db2.gz OTJKTFHAYCOCOZ-INIZCTEOSA-N 1 0 321.461 3.458 20 10 DGCDRO COc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1Cn1cccn1 ZINC000873134109 623045102 /nfs/dbraw/zinc/04/51/02/623045102.db2.gz XNCGWTYFHDDQLX-UHFFFAOYSA-N 1 0 311.429 3.362 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000773729423 623064860 /nfs/dbraw/zinc/06/48/60/623064860.db2.gz CMOGHPNMBFRYDN-UHFFFAOYSA-N 1 0 318.461 3.308 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000773811170 623073799 /nfs/dbraw/zinc/07/37/99/623073799.db2.gz WWOGFCBDMXVSPC-MSOLQXFVSA-N 1 0 302.462 3.391 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873252426 623092081 /nfs/dbraw/zinc/09/20/81/623092081.db2.gz RPLDVUONOCIIPX-VDDIYKPWSA-N 1 0 303.233 3.477 20 10 DGCDRO CC1([NH+]2CCCCC2)CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000873329237 623113022 /nfs/dbraw/zinc/11/30/22/623113022.db2.gz XLZDYZMEERZCGO-UHFFFAOYSA-N 1 0 316.449 3.141 20 10 DGCDRO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774480462 623150478 /nfs/dbraw/zinc/15/04/78/623150478.db2.gz CCYIKESFWSLIGM-KBPBESRZSA-N 1 0 305.466 3.097 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774484876 623151500 /nfs/dbraw/zinc/15/15/00/623151500.db2.gz SXAWVHWDDSXCFS-RRFJBIMHSA-N 1 0 305.466 3.097 20 10 DGCDRO C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000775403425 623269677 /nfs/dbraw/zinc/26/96/77/623269677.db2.gz IPZSHAKUYVURNS-HOTGVXAUSA-N 1 0 317.477 3.194 20 10 DGCDRO CC[C@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Cl)ccc1O ZINC000775485752 623278957 /nfs/dbraw/zinc/27/89/57/623278957.db2.gz ZPNJXHRFAADKJI-ZDUSSCGKSA-N 1 0 322.792 3.109 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1cc(Cl)ccc1O ZINC000775488556 623280191 /nfs/dbraw/zinc/28/01/91/623280191.db2.gz IXKGPXXSJCDUEZ-SMDDNHRTSA-N 1 0 312.841 3.391 20 10 DGCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2cc(Cl)ccc2O)C1 ZINC000775513116 623282170 /nfs/dbraw/zinc/28/21/70/623282170.db2.gz GGHNFVAXLKWBAY-GXTWGEPZSA-N 1 0 310.825 3.097 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccccc1O ZINC000775522171 623284196 /nfs/dbraw/zinc/28/41/96/623284196.db2.gz LDLBOTKTEMNQIL-HOCLYGCPSA-N 1 0 305.418 3.161 20 10 DGCDRO CC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1cc(Cl)ccc1O ZINC000775522759 623284247 /nfs/dbraw/zinc/28/42/47/623284247.db2.gz ZPKNZYJVECBROV-KRDDEPHXSA-N 1 0 303.855 3.243 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)c1ccccc1O ZINC000775525840 623284842 /nfs/dbraw/zinc/28/48/42/623284842.db2.gz ODVWRKWAOUPCAZ-YOEHRIQHSA-N 1 0 313.397 3.445 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(Cl)ccc1O ZINC000775527767 623285204 /nfs/dbraw/zinc/28/52/04/623285204.db2.gz UMXVATQIYICFHB-WAZAZEMKSA-N 1 0 322.836 3.096 20 10 DGCDRO COCC[N@H+](Cc1cccs1)Cc1cc(OC)ccc1O ZINC000775644994 623302358 /nfs/dbraw/zinc/30/23/58/623302358.db2.gz ZSRVJIADGUUWMY-UHFFFAOYSA-N 1 0 307.415 3.111 20 10 DGCDRO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000775647281 623303488 /nfs/dbraw/zinc/30/34/88/623303488.db2.gz QZFGBZIRZROHJS-LJQANCHMSA-N 1 0 303.494 3.447 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCC[C@H]2C[NH+]2CCCC2)c1O ZINC000775665104 623308584 /nfs/dbraw/zinc/30/85/84/623308584.db2.gz XUENMYJBFBTQPT-INIZCTEOSA-N 1 0 308.853 3.414 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1O ZINC000775674446 623311227 /nfs/dbraw/zinc/31/12/27/623311227.db2.gz BNIUGWOYWNFKPY-OAHLLOKOSA-N 1 0 305.809 3.388 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1O ZINC000775678647 623312473 /nfs/dbraw/zinc/31/24/73/623312473.db2.gz HMJGOBDJZQCWIC-UHFFFAOYSA-N 1 0 305.418 3.254 20 10 DGCDRO C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717052 623318468 /nfs/dbraw/zinc/31/84/68/623318468.db2.gz QKLGDDRDWJNDTD-AWEZNQCLSA-N 1 0 314.832 3.491 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCC[NH+](C)C ZINC000775817245 623336315 /nfs/dbraw/zinc/33/63/15/623336315.db2.gz LLVYHTQZKPYEHG-UHFFFAOYSA-N 1 0 319.474 3.179 20 10 DGCDRO CCCN(CCC)C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834180 623339198 /nfs/dbraw/zinc/33/91/98/623339198.db2.gz LEIXCONQSVTPRH-HNNXBMFYSA-N 1 0 305.466 3.052 20 10 DGCDRO C[C@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000775996640 623362742 /nfs/dbraw/zinc/36/27/42/623362742.db2.gz LGXYXBSGZKOPPL-HNNXBMFYSA-N 1 0 306.425 3.284 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(-c3ccccc3)on2)c1 ZINC000776151596 623382866 /nfs/dbraw/zinc/38/28/66/623382866.db2.gz QJHOPYKXSRMHBH-UHFFFAOYSA-N 1 0 310.353 3.346 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)Cc2cccc(O)c2)c1 ZINC000776174293 623390196 /nfs/dbraw/zinc/39/01/96/623390196.db2.gz HOKHNWGXHTZJIT-CYBMUJFWSA-N 1 0 301.386 3.217 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)COc2ccccc2)c(O)c1 ZINC000776175410 623390232 /nfs/dbraw/zinc/39/02/32/623390232.db2.gz YYASGGYEHVVVFP-AWEZNQCLSA-N 1 0 301.386 3.348 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H](C)CCc2ccc(C)o2)cc1OC ZINC000776220422 623399395 /nfs/dbraw/zinc/39/93/95/623399395.db2.gz NGTHRBXNDQQJKJ-LBPRGKRZSA-N 1 0 319.401 3.422 20 10 DGCDRO Cc1ccc(O)c(CNC(=O)NCCCCCCC[NH+](C)C)c1 ZINC000875158952 623423418 /nfs/dbraw/zinc/42/34/18/623423418.db2.gz VCKGTFOOGJHWMI-UHFFFAOYSA-N 1 0 321.465 3.012 20 10 DGCDRO C[C@@H](CCNC(=O)N[C@@H](C)c1ccccc1O)[NH+]1CCCCC1 ZINC000875486069 623455757 /nfs/dbraw/zinc/45/57/57/623455757.db2.gz VLSLGLLWUKMDTD-GJZGRUSLSA-N 1 0 319.449 3.017 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c(O)c1 ZINC000776948546 623478600 /nfs/dbraw/zinc/47/86/00/623478600.db2.gz FKSXFNCWOLXYMZ-WBVHZDCISA-N 1 0 307.434 3.474 20 10 DGCDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000790486110 625660169 /nfs/dbraw/zinc/66/01/69/625660169.db2.gz LFHZEFAGEIWCTL-WBVHZDCISA-N 1 0 311.429 3.171 20 10 DGCDRO C[C@](O)(CC[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000778213193 623625796 /nfs/dbraw/zinc/62/57/96/623625796.db2.gz CXZVWHZMDXKAJI-KRWDZBQOSA-N 1 0 305.805 3.433 20 10 DGCDRO CCOc1ccc(C[NH2+]CC[C@](C)(O)c2ccccc2)c(O)c1 ZINC000778212929 623625878 /nfs/dbraw/zinc/62/58/78/623625878.db2.gz HATRDQCUIHDHAX-IBGZPJMESA-N 1 0 315.413 3.178 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2c(C)cccc2O)cc1OC ZINC000876534318 623636175 /nfs/dbraw/zinc/63/61/75/623636175.db2.gz BGBOSLOUSPHEPJ-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CC[C@@H](C)[C@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000876551286 623641903 /nfs/dbraw/zinc/64/19/03/623641903.db2.gz OLWFFJGUMGYYLU-APWZRJJASA-N 1 0 320.477 3.016 20 10 DGCDRO C[C@@H](C1CC1)[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876597116 623655927 /nfs/dbraw/zinc/65/59/27/623655927.db2.gz GJBFSPBEGZJHDM-HNNXBMFYSA-N 1 0 314.473 3.411 20 10 DGCDRO CC(C)C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876599287 623656367 /nfs/dbraw/zinc/65/63/67/623656367.db2.gz WZSPVCYVYYMPJN-UHFFFAOYSA-N 1 0 302.462 3.268 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000876638029 623666603 /nfs/dbraw/zinc/66/66/03/623666603.db2.gz ABQQTDCBXWONEF-FXAWDEMLSA-N 1 0 314.473 3.412 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)cc2)CC1 ZINC000876638032 623666628 /nfs/dbraw/zinc/66/66/28/623666628.db2.gz ABQQTDCBXWONEF-YLJYHZDGSA-N 1 0 314.473 3.412 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C3CCC3)cc2)CC1 ZINC000876659625 623673279 /nfs/dbraw/zinc/67/32/79/623673279.db2.gz CHDQSPZLGUSUBY-FQEVSTJZSA-N 1 0 314.473 3.412 20 10 DGCDRO COc1cccc([C@H]2C[N@H+](Cc3c(C)cccc3O)CCO2)c1 ZINC000876688968 623683096 /nfs/dbraw/zinc/68/30/96/623683096.db2.gz QWMNWFVAEYWSJR-LJQANCHMSA-N 1 0 313.397 3.283 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000876700667 623685844 /nfs/dbraw/zinc/68/58/44/623685844.db2.gz XCBQCYVSDBHAOA-UHFFFAOYSA-N 1 0 323.396 3.164 20 10 DGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876748067 623695592 /nfs/dbraw/zinc/69/55/92/623695592.db2.gz ULGVRTPLDXSCOZ-NVXWUHKLSA-N 1 0 302.462 3.268 20 10 DGCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876814311 623714775 /nfs/dbraw/zinc/71/47/75/623714775.db2.gz LOAMWJAVLLUPBT-HNNXBMFYSA-N 1 0 305.418 3.256 20 10 DGCDRO Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)c(O)c1 ZINC000876838497 623725085 /nfs/dbraw/zinc/72/50/85/623725085.db2.gz KYIITHMOWRLMBZ-UHFFFAOYSA-N 1 0 311.429 3.065 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000779080908 623728572 /nfs/dbraw/zinc/72/85/72/623728572.db2.gz FUJPKJPFWGQUDQ-UHFFFAOYSA-N 1 0 301.361 3.327 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2c(C)cccc2O)cc1OC ZINC000876893498 623738227 /nfs/dbraw/zinc/73/82/27/623738227.db2.gz LJNNTHGAIMDQGN-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC)C[C@@H](O)C(F)(F)F)cc1 ZINC000779193418 623740829 /nfs/dbraw/zinc/74/08/29/623740829.db2.gz QTEDGFMSAIPLAM-OAHLLOKOSA-N 1 0 318.383 3.278 20 10 DGCDRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3c(C)cccc3O)cn2)n1 ZINC000876941280 623750613 /nfs/dbraw/zinc/75/06/13/623750613.db2.gz DBDMZUNBRXCNBU-UHFFFAOYSA-N 1 0 322.412 3.188 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)cc1 ZINC000876945428 623751051 /nfs/dbraw/zinc/75/10/51/623751051.db2.gz YLGQLVRUKWIVAO-WBVHZDCISA-N 1 0 317.477 3.070 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)cc2)CC1 ZINC000876965148 623756235 /nfs/dbraw/zinc/75/62/35/623756235.db2.gz COPKSFJWMPHRMC-REPLKXPHSA-N 1 0 314.473 3.031 20 10 DGCDRO CC(C)(C)OC(=O)NCC(C)(C)C[NH2+]Cc1ccccc1O ZINC000876996470 623763025 /nfs/dbraw/zinc/76/30/25/623763025.db2.gz VFEQIVIFINJENW-UHFFFAOYSA-N 1 0 308.422 3.033 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1F ZINC000779432107 623769592 /nfs/dbraw/zinc/76/95/92/623769592.db2.gz KOWPMHVDHRIWMS-PBHICJAKSA-N 1 0 308.441 3.121 20 10 DGCDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000877035157 623771195 /nfs/dbraw/zinc/77/11/95/623771195.db2.gz CXQACIRGMPCISS-LAJNKCICSA-N 1 0 315.350 3.213 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc(OC(C)C)c2)c(O)c1 ZINC000877034979 623771517 /nfs/dbraw/zinc/77/15/17/623771517.db2.gz AJRXQYHYQFLFRD-LJQANCHMSA-N 1 0 315.413 3.311 20 10 DGCDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000877035163 623771696 /nfs/dbraw/zinc/77/16/96/623771696.db2.gz CXQACIRGMPCISS-XUSGNXJCSA-N 1 0 315.350 3.213 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1cccc(OC(C)C)c1 ZINC000877036599 623772434 /nfs/dbraw/zinc/77/24/34/623772434.db2.gz RIWBGHIBSKROSX-IBGZPJMESA-N 1 0 315.413 3.311 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)c(O)c1 ZINC000877042083 623773454 /nfs/dbraw/zinc/77/34/54/623773454.db2.gz MGFZQALSIDRXOO-IBGZPJMESA-N 1 0 315.413 3.311 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)c(O)c1 ZINC000877057899 623778694 /nfs/dbraw/zinc/77/86/94/623778694.db2.gz RNKCPCJAOJJISJ-UHFFFAOYSA-N 1 0 302.321 3.466 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000877096063 623790787 /nfs/dbraw/zinc/79/07/87/623790787.db2.gz WRHSGBSIXMEXNL-ZDUSSCGKSA-N 1 0 317.820 3.118 20 10 DGCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)c2ccccc21 ZINC000877121598 623796200 /nfs/dbraw/zinc/79/62/00/623796200.db2.gz WVJBNFDIVRSEMW-QGZVFWFLSA-N 1 0 310.397 3.288 20 10 DGCDRO COc1ccc(COCC[NH2+]Cc2c(C)cccc2O)cc1 ZINC000877133419 623800667 /nfs/dbraw/zinc/80/06/67/623800667.db2.gz JIDJYSHWEXPFTJ-UHFFFAOYSA-N 1 0 301.386 3.016 20 10 DGCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877175043 623818206 /nfs/dbraw/zinc/81/82/06/623818206.db2.gz XFOIXEQUCBVPJL-AWEZNQCLSA-N 1 0 305.418 3.112 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](CCOC)c2ccco2)c(O)c1 ZINC000779990515 623845944 /nfs/dbraw/zinc/84/59/44/623845944.db2.gz HIBNHZORYGBTEZ-HNNXBMFYSA-N 1 0 305.374 3.251 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c(O)c1 ZINC000877374858 623860446 /nfs/dbraw/zinc/86/04/46/623860446.db2.gz PPTLKVKCHJGYGT-QGZVFWFLSA-N 1 0 305.805 3.351 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000877374582 623861369 /nfs/dbraw/zinc/86/13/69/623861369.db2.gz KRNLTBOTUJZUEK-KRWDZBQOSA-N 1 0 305.805 3.351 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1(C)CCCC1 ZINC000877483643 623905304 /nfs/dbraw/zinc/90/53/04/623905304.db2.gz ZAIVWPCRLDWERO-UHFFFAOYSA-N 1 0 302.462 3.412 20 10 DGCDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877501192 623913907 /nfs/dbraw/zinc/91/39/07/623913907.db2.gz MPZGSZZWERLCGF-DOTOQJQBSA-N 1 0 302.462 3.174 20 10 DGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc(C)cc1O ZINC000877528576 623925282 /nfs/dbraw/zinc/92/52/82/623925282.db2.gz DWLUPXXJEZSFHD-UHFFFAOYSA-N 1 0 301.434 3.372 20 10 DGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531448 623927650 /nfs/dbraw/zinc/92/76/50/623927650.db2.gz MXCZQNMJGQPGOF-WBVHZDCISA-N 1 0 302.462 3.411 20 10 DGCDRO Cc1cc(C[NH2+]Cc2c(C)cccc2O)cc(N2CCCC2)n1 ZINC000877540230 623933213 /nfs/dbraw/zinc/93/32/13/623933213.db2.gz ZYASKLKNNUPFLM-UHFFFAOYSA-N 1 0 311.429 3.294 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000780507923 623941428 /nfs/dbraw/zinc/94/14/28/623941428.db2.gz GSJSJZRQHULSCJ-UHFFFAOYSA-N 1 0 312.442 3.494 20 10 DGCDRO OC1CCN(c2ccc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC000877566290 623945139 /nfs/dbraw/zinc/94/51/39/623945139.db2.gz GFAFNKCOJJNTQF-HDICACEKSA-N 1 0 314.473 3.270 20 10 DGCDRO Cc1cccc(O)c1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC000877571436 623947053 /nfs/dbraw/zinc/94/70/53/623947053.db2.gz ZCCIQHUTBOJQEQ-KRWDZBQOSA-N 1 0 301.361 3.413 20 10 DGCDRO COc1ccc(C2CC[NH+](Cc3ccc(C)cc3O)CC2)nc1 ZINC000877608957 623960585 /nfs/dbraw/zinc/96/05/85/623960585.db2.gz ARILAANQVANAFN-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO COc1ccc(C2CC[NH+](Cc3c(C)cccc3O)CC2)nc1 ZINC000877609963 623960630 /nfs/dbraw/zinc/96/06/30/623960630.db2.gz OQBXUBXSEDSTNK-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)cc1C ZINC000877645384 623976210 /nfs/dbraw/zinc/97/62/10/623976210.db2.gz JUUARZYOEUKNEW-GOSISDBHSA-N 1 0 312.413 3.195 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC[C@@H]3CC=CCC3)cc2)CC1 ZINC000877655906 623979601 /nfs/dbraw/zinc/97/96/01/623979601.db2.gz OZCSXSXELHSXKL-QGZVFWFLSA-N 1 0 314.473 3.484 20 10 DGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]2C[C@H]2C1 ZINC000877656873 623979687 /nfs/dbraw/zinc/97/96/87/623979687.db2.gz CJDXMOOVLDGFII-YRWFTTLQSA-N 1 0 314.473 3.174 20 10 DGCDRO CN(Cc1cccn1C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000780780025 623983273 /nfs/dbraw/zinc/98/32/73/623983273.db2.gz HUMBBRIFSBWHPK-UHFFFAOYSA-N 1 0 313.445 3.136 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877674907 623988165 /nfs/dbraw/zinc/98/81/65/623988165.db2.gz WSABHBQKQNHTOD-UXHICEINSA-N 1 0 310.441 3.451 20 10 DGCDRO C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(Cl)c1[O-])CC2 ZINC000877684828 623992063 /nfs/dbraw/zinc/99/20/63/623992063.db2.gz ZWVBBYSARKADJD-UHFFFAOYSA-N 1 0 308.853 3.353 20 10 DGCDRO COCC1(C2CC2)C[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000877686135 623992838 /nfs/dbraw/zinc/99/28/38/623992838.db2.gz LTWCOCNTOHXVKD-SNAWJCMRSA-N 1 0 300.446 3.124 20 10 DGCDRO C[C@@H]1CN(c2ccccc2C[N@@H+]2Cc3cccc(O)c3C2)CCO1 ZINC000877703213 623998745 /nfs/dbraw/zinc/99/87/45/623998745.db2.gz WJWNFQJXUNJYDX-OAHLLOKOSA-N 1 0 324.424 3.133 20 10 DGCDRO CCOC(=O)C1CCC([NH2+]Cc2cc(OCC)ccc2O)CC1 ZINC000877717679 624004109 /nfs/dbraw/zinc/00/41/09/624004109.db2.gz PDPBTDVWVKTFPE-UHFFFAOYSA-N 1 0 321.417 3.002 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000877727647 624006051 /nfs/dbraw/zinc/00/60/51/624006051.db2.gz FBCKOPLGMIUBFQ-KRWDZBQOSA-N 1 0 302.462 3.357 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC(C)(C)C(C)(F)F)cc1OC ZINC000877730652 624006751 /nfs/dbraw/zinc/00/67/51/624006751.db2.gz BWDZLOCTGMVMNP-UHFFFAOYSA-N 1 0 303.349 3.180 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2cn(C)c3ncccc23)c1O ZINC000877734018 624008283 /nfs/dbraw/zinc/00/82/83/624008283.db2.gz FXPMRDOQIHEMMP-UHFFFAOYSA-N 1 0 309.413 3.174 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c1O ZINC000877773138 624031647 /nfs/dbraw/zinc/03/16/47/624031647.db2.gz GNQYKNAWSBZXQZ-UHFFFAOYSA-N 1 0 318.461 3.035 20 10 DGCDRO CCN(CC)c1ccc(CN(C)CC[NH+]2CCCCC2)cc1 ZINC000781625527 624110159 /nfs/dbraw/zinc/11/01/59/624110159.db2.gz BHSJBPMFFAXRKB-UHFFFAOYSA-N 1 0 303.494 3.451 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[N@@H+](C[C@@H](C)O)C(C)C)c1 ZINC000781912765 624170681 /nfs/dbraw/zinc/17/06/81/624170681.db2.gz QLLXQKWLYWGXAZ-LLVKDONJSA-N 1 0 316.239 3.054 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000127194667 624302936 /nfs/dbraw/zinc/30/29/36/624302936.db2.gz BCCIOUOJVDQUNJ-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000783220446 624325394 /nfs/dbraw/zinc/32/53/94/624325394.db2.gz DZRQDYINIIXOTA-SZOQZIPDSA-N 1 0 306.425 3.327 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000783302615 624336540 /nfs/dbraw/zinc/33/65/40/624336540.db2.gz FPJXRZWSQBHEBI-GOEBONIOSA-N 1 0 320.408 3.006 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(Br)cc1O ZINC000783309464 624337377 /nfs/dbraw/zinc/33/73/77/624337377.db2.gz JHLOJHRZLUHTQE-ZYHUDNBSSA-N 1 0 312.207 3.498 20 10 DGCDRO COc1cccc(CC[NH2+][C@@H](C)c2ccccc2O)c1OC ZINC000783504902 624360049 /nfs/dbraw/zinc/36/00/49/624360049.db2.gz ORYBPKQVTUZBNT-ZDUSSCGKSA-N 1 0 301.386 3.303 20 10 DGCDRO Cc1ccnc(OC2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000783594051 624372643 /nfs/dbraw/zinc/37/26/43/624372643.db2.gz TZXKVUANJNLGIR-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000879648030 624621437 /nfs/dbraw/zinc/62/14/37/624621437.db2.gz WHHKOAACEFWGJB-CABCVRRESA-N 1 0 312.413 3.262 20 10 DGCDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648693 624621455 /nfs/dbraw/zinc/62/14/55/624621455.db2.gz ZMVLYLHHLDZVPL-CYBMUJFWSA-N 1 0 314.385 3.080 20 10 DGCDRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879647888 624621544 /nfs/dbraw/zinc/62/15/44/624621544.db2.gz PGYPXXNFRHLPPJ-OLZOCXBDSA-N 1 0 314.385 3.079 20 10 DGCDRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879649222 624622544 /nfs/dbraw/zinc/62/25/44/624622544.db2.gz OHZWCBWDCADBMU-CABCVRRESA-N 1 0 312.413 3.056 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1O ZINC000879649076 624622560 /nfs/dbraw/zinc/62/25/60/624622560.db2.gz LHVKVBWBSJJRPJ-KDOFPFPSSA-N 1 0 324.424 3.237 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1O ZINC000879649647 624623032 /nfs/dbraw/zinc/62/30/32/624623032.db2.gz RPNFNBARLZOHRF-CYBMUJFWSA-N 1 0 310.397 3.170 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccccc1O ZINC000879649359 624623040 /nfs/dbraw/zinc/62/30/40/624623040.db2.gz RCRHSFVUAYXCAR-CHWSQXEVSA-N 1 0 321.804 3.136 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)Cc1ccccc1 ZINC000879652004 624624278 /nfs/dbraw/zinc/62/42/78/624624278.db2.gz SUBRVEJGMGVFDN-LSDHHAIUSA-N 1 0 312.413 3.090 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CN(C2CCCCC2)C(=O)O1)c1ccccc1O ZINC000879650312 624624772 /nfs/dbraw/zinc/62/47/72/624624772.db2.gz SVNGJWLTQYWAIL-ZFWWWQNUSA-N 1 0 318.417 3.196 20 10 DGCDRO CC(C)N(C(=O)C[NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000879652333 624626339 /nfs/dbraw/zinc/62/63/39/624626339.db2.gz CJAXQROUOKCSKR-HNNXBMFYSA-N 1 0 312.413 3.484 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000879653991 624626739 /nfs/dbraw/zinc/62/67/39/624626739.db2.gz ZXCQMSJMXKTYFX-LJISPDSOSA-N 1 0 304.434 3.221 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC1(C)C ZINC000785437856 624666424 /nfs/dbraw/zinc/66/64/24/624666424.db2.gz ZWLIFBKKEIKCDT-BEFAXECRSA-N 1 0 316.489 3.420 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000786165782 624815069 /nfs/dbraw/zinc/81/50/69/624815069.db2.gz YGXPTCFIGCAXSI-CQSZACIVSA-N 1 0 305.805 3.047 20 10 DGCDRO C[N@@H+]1CCC[C@@H]1CCN(Cc1ccco1)Cc1ccccc1O ZINC000128379268 624937350 /nfs/dbraw/zinc/93/73/50/624937350.db2.gz IYRJCENYOGDHKR-QGZVFWFLSA-N 1 0 314.429 3.472 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cc(Cl)ccc1O ZINC000786933311 624965586 /nfs/dbraw/zinc/96/55/86/624965586.db2.gz BNNRKMCZBNCZRR-HNNXBMFYSA-N 1 0 320.820 3.294 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000128471391 624969019 /nfs/dbraw/zinc/96/90/19/624969019.db2.gz DMLBVXQQEWIIET-HNNXBMFYSA-N 1 0 320.433 3.142 20 10 DGCDRO CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccnn1C ZINC000788257570 625105270 /nfs/dbraw/zinc/10/52/70/625105270.db2.gz AHHXEVZGESLKGL-WFASDCNBSA-N 1 0 305.397 3.355 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)ccc21 ZINC000788509618 625203104 /nfs/dbraw/zinc/20/31/04/625203104.db2.gz QVVRSUBQWYAKTD-UHFFFAOYSA-N 1 0 322.412 3.342 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccn(CC)c1=O)c1cc(Cl)ccc1O ZINC000788603257 625225303 /nfs/dbraw/zinc/22/53/03/625225303.db2.gz ACIUWQMLGDBIBD-OAHLLOKOSA-N 1 0 320.820 3.468 20 10 DGCDRO CCn1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)c1=O ZINC000788605646 625225314 /nfs/dbraw/zinc/22/53/14/625225314.db2.gz BBEUQAHKRWOLMV-RISCZKNCSA-N 1 0 316.376 3.051 20 10 DGCDRO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000788610345 625226858 /nfs/dbraw/zinc/22/68/58/625226858.db2.gz LLNDDARHSCGMHD-HNNXBMFYSA-N 1 0 302.462 3.346 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000790996643 625734284 /nfs/dbraw/zinc/73/42/84/625734284.db2.gz ZKOGFZVMMSYFBW-CQSZACIVSA-N 1 0 305.418 3.372 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)C2CCCCC2)cc1F ZINC000790999490 625734514 /nfs/dbraw/zinc/73/45/14/625734514.db2.gz YHZVGFQNAZAMFP-GOSISDBHSA-N 1 0 308.441 3.313 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccn(C)n1)c1cc(Br)ccc1O ZINC000213179451 625833573 /nfs/dbraw/zinc/83/35/73/625833573.db2.gz UFEKCMYCGLBZKY-ZDUSSCGKSA-N 1 0 324.222 3.129 20 10 DGCDRO C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882892249 625848810 /nfs/dbraw/zinc/84/88/10/625848810.db2.gz RKNJSRVAOGVIMD-ZDUSSCGKSA-N 1 0 312.404 3.415 20 10 DGCDRO CCC[N@H+](CC(=O)N(C(C)C)C(C)C)Cc1ccccc1O ZINC000130728576 625896787 /nfs/dbraw/zinc/89/67/87/625896787.db2.gz OQJZYAYVCTVLMG-UHFFFAOYSA-N 1 0 306.450 3.250 20 10 DGCDRO CN1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@H]1c1ccccc1 ZINC000883077302 625918393 /nfs/dbraw/zinc/91/83/93/625918393.db2.gz FOCHUTZDJPVNJB-DLBZAZTESA-N 1 0 318.367 3.205 20 10 DGCDRO COC1(CN(C)c2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC000792175273 625920876 /nfs/dbraw/zinc/92/08/76/625920876.db2.gz QTXDZDOMGZETPH-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO CCOc1ccc(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c(O)c1 ZINC000792192989 625923031 /nfs/dbraw/zinc/92/30/31/625923031.db2.gz PGBPNIHGGHHJQR-GDBMZVCRSA-N 1 0 307.434 3.428 20 10 DGCDRO CCC[N@H+](CCC(=O)Nc1cccnc1)Cc1ccccc1O ZINC000792231031 625928724 /nfs/dbraw/zinc/92/87/24/625928724.db2.gz FFIGCARZSASTID-UHFFFAOYSA-N 1 0 313.401 3.028 20 10 DGCDRO c1ccc(CN2CCc3cc(C[NH2+]C[C@H]4CCOC4)ccc32)cc1 ZINC000796263368 626033390 /nfs/dbraw/zinc/03/33/90/626033390.db2.gz JHWNKNVVQFYCCB-LJQANCHMSA-N 1 0 322.452 3.375 20 10 DGCDRO CCC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796303097 626037065 /nfs/dbraw/zinc/03/70/65/626037065.db2.gz GGEDQOWQFUUQJY-FQEVSTJZSA-N 1 0 324.468 3.500 20 10 DGCDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796318088 626038060 /nfs/dbraw/zinc/03/80/60/626038060.db2.gz WCYQJQWUVMCXLW-HXUWFJFHSA-N 1 0 324.468 3.356 20 10 DGCDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796342261 626040173 /nfs/dbraw/zinc/04/01/73/626040173.db2.gz WLBRBCXGJCULBB-INIZCTEOSA-N 1 0 324.468 3.498 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]2C)c1O ZINC000796525188 626058835 /nfs/dbraw/zinc/05/88/35/626058835.db2.gz BRZJMUSOTDHQEM-GZMMTYOYSA-N 1 0 300.196 3.051 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1-n1ccnn1 ZINC000796740234 626077963 /nfs/dbraw/zinc/07/79/63/626077963.db2.gz YTMZZJFXXUHSCW-CQSZACIVSA-N 1 0 320.396 3.053 20 10 DGCDRO COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000797077239 626110832 /nfs/dbraw/zinc/11/08/32/626110832.db2.gz VMFPVYZXNAMLOI-LBPRGKRZSA-N 1 0 300.358 3.421 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000798491537 626220398 /nfs/dbraw/zinc/22/03/98/626220398.db2.gz AORPQRUTOFJVSI-KZNAEPCWSA-N 1 0 302.462 3.438 20 10 DGCDRO C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000798957490 626262383 /nfs/dbraw/zinc/26/23/83/626262383.db2.gz BSDWDDOYLFPDGG-UHFFFAOYSA-N 1 0 300.805 3.102 20 10 DGCDRO COC(=O)CC1(C[N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000799302486 626286053 /nfs/dbraw/zinc/28/60/53/626286053.db2.gz MYBVXZKEGZUFAB-UHFFFAOYSA-N 1 0 317.429 3.480 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(F)ccc1O ZINC000799728569 626324801 /nfs/dbraw/zinc/32/48/01/626324801.db2.gz CKWOEPPKJUAMGC-CJNGLKHVSA-N 1 0 303.377 3.176 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cnc(C(C)C)nc2)c1 ZINC000799737008 626326659 /nfs/dbraw/zinc/32/66/59/626326659.db2.gz QUXWGKNVBXXREW-UHFFFAOYSA-N 1 0 315.417 3.336 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1Cc3ccc(Cl)cc3C1)OCO2 ZINC000800286612 626348309 /nfs/dbraw/zinc/34/83/09/626348309.db2.gz NPAKBVZJQJDTRW-AWEZNQCLSA-N 1 0 317.772 3.031 20 10 DGCDRO CC(C)COCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000800356773 626353593 /nfs/dbraw/zinc/35/35/93/626353593.db2.gz WQIUCQKYLNCCKO-QGZVFWFLSA-N 1 0 307.434 3.046 20 10 DGCDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000800475568 626363797 /nfs/dbraw/zinc/36/37/97/626363797.db2.gz YJWIVVXPSQNMAB-SJLPKXTDSA-N 1 0 302.462 3.364 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000800889070 626382925 /nfs/dbraw/zinc/38/29/25/626382925.db2.gz KKMRLKYQPIZLSM-INIZCTEOSA-N 1 0 313.397 3.274 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c(O)c1 ZINC000800897234 626383733 /nfs/dbraw/zinc/38/37/33/626383733.db2.gz GTBREIPIRSKINQ-LJQANCHMSA-N 1 0 315.413 3.231 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c(O)c1 ZINC000800897230 626383788 /nfs/dbraw/zinc/38/37/88/626383788.db2.gz GTBREIPIRSKINQ-IBGZPJMESA-N 1 0 315.413 3.231 20 10 DGCDRO Cc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1O ZINC000802658388 626565877 /nfs/dbraw/zinc/56/58/77/626565877.db2.gz YFXJDABEMDPHKB-UHFFFAOYSA-N 1 0 300.358 3.283 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1C ZINC000883256213 626626001 /nfs/dbraw/zinc/62/60/01/626626001.db2.gz QQORXXIETLWVPM-KRWDZBQOSA-N 1 0 319.445 3.069 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)cc2)CC1 ZINC000883319529 626645944 /nfs/dbraw/zinc/64/59/44/626645944.db2.gz FSTAYMWRBITSQQ-FFZOFVMBSA-N 1 0 314.473 3.316 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@@]3(CCCO3)[C@@H]1C1CC1)CCCC2 ZINC000840100473 626759949 /nfs/dbraw/zinc/75/99/49/626759949.db2.gz YSUJLUOIPGPDFD-PMACEKPBSA-N 1 0 313.441 3.414 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000840114687 626768934 /nfs/dbraw/zinc/76/89/34/626768934.db2.gz OBBUFIYDFMGMDW-KRWDZBQOSA-N 1 0 313.388 3.200 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)CCC2 ZINC000840117933 626770672 /nfs/dbraw/zinc/77/06/72/626770672.db2.gz CKBSOATVDBTAGZ-KZNAEPCWSA-N 1 0 301.430 3.006 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccccc2N(C)C)c(O)cc1C ZINC000808235719 626807784 /nfs/dbraw/zinc/80/77/84/626807784.db2.gz CWJXQEAYBRKOBL-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO CCc1cc(C[N@H+](C)CCOCCOC)c(O)c(C(C)(C)C)c1 ZINC000808237289 626808014 /nfs/dbraw/zinc/80/80/14/626808014.db2.gz JQQKJENQIHHXNC-UHFFFAOYSA-N 1 0 323.477 3.347 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c1O ZINC000808694054 626849742 /nfs/dbraw/zinc/84/97/42/626849742.db2.gz ZGSYAGLNRKKFDK-SWLSCSKDSA-N 1 0 308.853 3.489 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1O ZINC000808695534 626850286 /nfs/dbraw/zinc/85/02/86/626850286.db2.gz ITDJDTNLMFMTFW-NSHDSACASA-N 1 0 310.825 3.050 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOc2cccnc2)c1O ZINC000808696006 626850510 /nfs/dbraw/zinc/85/05/10/626850510.db2.gz MTSVZSLLFRUMMV-LBPRGKRZSA-N 1 0 306.793 3.479 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCSCC2)c1O ZINC000808695737 626850554 /nfs/dbraw/zinc/85/05/54/626850554.db2.gz PKRYUDQJYDCVEB-GFCCVEGCSA-N 1 0 314.882 3.053 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)c1O ZINC000808702135 626850913 /nfs/dbraw/zinc/85/09/13/626850913.db2.gz SGUGSJUTNZIMRS-OCCSQVGLSA-N 1 0 313.825 3.200 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c1O ZINC000808701824 626851002 /nfs/dbraw/zinc/85/10/02/626851002.db2.gz JWKLOHAFBAEILM-WQGACYEGSA-N 1 0 308.853 3.487 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c1O ZINC000808701823 626851181 /nfs/dbraw/zinc/85/11/81/626851181.db2.gz JWKLOHAFBAEILM-MQIPJXDCSA-N 1 0 308.853 3.487 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1O ZINC000808707857 626851686 /nfs/dbraw/zinc/85/16/86/626851686.db2.gz AXQQACXKCGBOIN-SCZZXKLOSA-N 1 0 311.731 3.318 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c1O ZINC000808707577 626851836 /nfs/dbraw/zinc/85/18/36/626851836.db2.gz SMDFLTISALHWKH-SMDDNHRTSA-N 1 0 310.825 3.014 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000808729256 626854871 /nfs/dbraw/zinc/85/48/71/626854871.db2.gz WIHVYWIQZLXETN-WFASDCNBSA-N 1 0 301.361 3.494 20 10 DGCDRO C[N@H+](Cc1ccccc1O)Cc1cc2c(cc1Cl)OCCO2 ZINC000808736127 626856170 /nfs/dbraw/zinc/85/61/70/626856170.db2.gz KNEPOKXZMKXAHJ-UHFFFAOYSA-N 1 0 319.788 3.449 20 10 DGCDRO CCC(CC)[N@H+](CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000808782467 626860949 /nfs/dbraw/zinc/86/09/49/626860949.db2.gz UOXZAJMGRZTCOF-UHFFFAOYSA-N 1 0 319.493 3.222 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000884482805 626887718 /nfs/dbraw/zinc/88/77/18/626887718.db2.gz ICQCLRLLALRBJH-DYVFJYSZSA-N 1 0 319.445 3.396 20 10 DGCDRO Cn1ncc2c1CCC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000840174524 626911491 /nfs/dbraw/zinc/91/14/91/626911491.db2.gz BSOXAYNSSVQUQT-UHFFFAOYSA-N 1 0 307.397 3.227 20 10 DGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000840182810 626929712 /nfs/dbraw/zinc/92/97/12/626929712.db2.gz AHQXIOOWTSAOBA-LJQANCHMSA-N 1 0 313.397 3.321 20 10 DGCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809651838 626932471 /nfs/dbraw/zinc/93/24/71/626932471.db2.gz BFWLDROJCNYQGU-OXQOHEQNSA-N 1 0 322.452 3.204 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000809654495 626932980 /nfs/dbraw/zinc/93/29/80/626932980.db2.gz FTNQEMSSGQAJOQ-GJZGRUSLSA-N 1 0 316.367 3.472 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000809654496 626933099 /nfs/dbraw/zinc/93/30/99/626933099.db2.gz FTNQEMSSGQAJOQ-HUUCEWRRSA-N 1 0 316.367 3.472 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000809654497 626933433 /nfs/dbraw/zinc/93/34/33/626933433.db2.gz FTNQEMSSGQAJOQ-LSDHHAIUSA-N 1 0 316.367 3.472 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000809693014 626937330 /nfs/dbraw/zinc/93/73/30/626937330.db2.gz LWUGIBXFNIDULH-AWEZNQCLSA-N 1 0 316.367 3.382 20 10 DGCDRO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F ZINC000809697885 626938312 /nfs/dbraw/zinc/93/83/12/626938312.db2.gz QYTDQXLUGSSBAT-PWSUYJOCSA-N 1 0 323.742 3.038 20 10 DGCDRO CCOc1ccc(C[N@H+]2CCC3(CC(OCC)C3)C2)c(O)c1 ZINC000809707922 626939340 /nfs/dbraw/zinc/93/93/40/626939340.db2.gz SFURPEBVXURQMU-UHFFFAOYSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1O ZINC000809739773 626944099 /nfs/dbraw/zinc/94/40/99/626944099.db2.gz DVSPDLCYLRIBIT-VMPITWQZSA-N 1 0 314.341 3.112 20 10 DGCDRO Cc1cccc(CN(CC[NH+](C)C)Cc2cccc(F)c2)c1O ZINC000809737695 626944167 /nfs/dbraw/zinc/94/41/67/626944167.db2.gz LFZGKELHPMQMOO-UHFFFAOYSA-N 1 0 316.420 3.404 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCn2ccnc2)cc1F ZINC000809752344 626946432 /nfs/dbraw/zinc/94/64/32/626946432.db2.gz BEIHAKJZKNDVIE-UHFFFAOYSA-N 1 0 318.440 3.391 20 10 DGCDRO CCCC[N@H+](CCCO)Cc1cc(Br)ccc1O ZINC000809751806 626946599 /nfs/dbraw/zinc/94/65/99/626946599.db2.gz KCIIEIVJKZPHML-UHFFFAOYSA-N 1 0 316.239 3.139 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000809767274 626948998 /nfs/dbraw/zinc/94/89/98/626948998.db2.gz IGEDZAPEOSWXKV-MRXNPFEDSA-N 1 0 307.397 3.407 20 10 DGCDRO CCCN(CC[NH+]1CCCCCC1)Cc1cccc(OC)c1O ZINC000809787421 626953004 /nfs/dbraw/zinc/95/30/04/626953004.db2.gz CMMPVQFIACJHQJ-UHFFFAOYSA-N 1 0 320.477 3.489 20 10 DGCDRO CC(C)[N@@H+](Cc1c(O)ccc2ccccc21)C[C@H]1CCC(=O)N1 ZINC000840187706 626958850 /nfs/dbraw/zinc/95/88/50/626958850.db2.gz WNMTYXCTONPHDF-OAHLLOKOSA-N 1 0 312.413 3.034 20 10 DGCDRO CCCC[C@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000810124944 626978306 /nfs/dbraw/zinc/97/83/06/626978306.db2.gz LHCXKPSVHIBLBY-INIZCTEOSA-N 1 0 319.493 3.222 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000810161225 626982896 /nfs/dbraw/zinc/98/28/96/626982896.db2.gz GORFGQWQLFPRTR-INIZCTEOSA-N 1 0 321.804 3.268 20 10 DGCDRO COCC[C@@H](COC)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000810173620 626984497 /nfs/dbraw/zinc/98/44/97/626984497.db2.gz GTCGUCSFKAMLOK-SFHVURJKSA-N 1 0 315.413 3.200 20 10 DGCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C2 ZINC000810178940 626985281 /nfs/dbraw/zinc/98/52/81/626985281.db2.gz ZKUOTBQZBGVACO-OAHLLOKOSA-N 1 0 303.789 3.447 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810213165 626988729 /nfs/dbraw/zinc/98/87/29/626988729.db2.gz NQUUNVPOIGNUQB-GWCFXTLKSA-N 1 0 303.324 3.488 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810216341 626988784 /nfs/dbraw/zinc/98/87/84/626988784.db2.gz SZLQRDYUETZFQD-GXFFZTMASA-N 1 0 304.356 3.402 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](C)CCO)c1ccc(C(F)(F)F)cc1O ZINC000810220908 626989629 /nfs/dbraw/zinc/98/96/29/626989629.db2.gz GTBKOPDSTQEWLE-ZWNOBZJWSA-N 1 0 305.340 3.470 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810228244 626989929 /nfs/dbraw/zinc/98/99/29/626989929.db2.gz DKEHMJFZLYLCSP-ZDUSSCGKSA-N 1 0 313.323 3.385 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1O ZINC000810252774 626993203 /nfs/dbraw/zinc/99/32/03/626993203.db2.gz JAGDGZACBXOBJP-CMPLNLGQSA-N 1 0 305.809 3.285 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@](C)(O)C(F)F ZINC000885940543 627065477 /nfs/dbraw/zinc/06/54/77/627065477.db2.gz MAZIUVFKHZZODO-KRWDZBQOSA-N 1 0 312.404 3.125 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000886513146 627155581 /nfs/dbraw/zinc/15/55/81/627155581.db2.gz VHPZPYJLJWCSHK-BEFAXECRSA-N 1 0 323.440 3.256 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000886671812 627185691 /nfs/dbraw/zinc/18/56/91/627185691.db2.gz DKHUOLUMPJLAPX-KSSFIOAISA-N 1 0 316.420 3.146 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccc(F)cc2)c(O)c1C ZINC000886676368 627187465 /nfs/dbraw/zinc/18/74/65/627187465.db2.gz GIMXWRALUSKWBX-RHSMWYFYSA-N 1 0 317.404 3.402 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1 ZINC000886677246 627187920 /nfs/dbraw/zinc/18/79/20/627187920.db2.gz UKLHKIRTJPOJMF-CJNGLKHVSA-N 1 0 303.377 3.094 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1)c1ccccc1O ZINC000886764388 627201611 /nfs/dbraw/zinc/20/16/11/627201611.db2.gz RSPIALFMEBVIAU-DNUAJFIVSA-N 1 0 305.418 3.160 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1 ZINC000886771037 627202928 /nfs/dbraw/zinc/20/29/28/627202928.db2.gz BPTYPNGDXYYMJA-SIBFUHKCSA-N 1 0 319.445 3.324 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H]1CCCOC1 ZINC000886788739 627204469 /nfs/dbraw/zinc/20/44/69/627204469.db2.gz HZJJHGJHRATDOQ-GBOPCIDUSA-N 1 0 323.408 3.111 20 10 DGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1[C@H]1CCCO1 ZINC000811778263 627320507 /nfs/dbraw/zinc/32/05/07/627320507.db2.gz LDVMLJAVNVRNMM-MSOLQXFVSA-N 1 0 301.430 3.270 20 10 DGCDRO COc1cc(C[NH+]2CCC(OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000813090622 627447640 /nfs/dbraw/zinc/44/76/40/627447640.db2.gz QZERPDHRFNTTTR-UHFFFAOYSA-N 1 0 307.434 3.309 20 10 DGCDRO C[C@]12CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]1C2(F)F ZINC000814169631 627545761 /nfs/dbraw/zinc/54/57/61/627545761.db2.gz KZRFWRDGUICXDD-SJORKVTESA-N 1 0 322.399 3.000 20 10 DGCDRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1O ZINC000814178351 627546914 /nfs/dbraw/zinc/54/69/14/627546914.db2.gz MZDYZQBOQGIRAV-AWEZNQCLSA-N 1 0 300.377 3.242 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCC3(OC)CCC3)CC2)cc1 ZINC000815022045 627617544 /nfs/dbraw/zinc/61/75/44/627617544.db2.gz LRMGYZIMIOFZNA-UHFFFAOYSA-N 1 0 318.461 3.167 20 10 DGCDRO COC(=O)CCC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815059471 627620498 /nfs/dbraw/zinc/62/04/98/627620498.db2.gz AZJAPLBPPPBWRC-UHFFFAOYSA-N 1 0 318.461 3.226 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCCCC1 ZINC000815073550 627623133 /nfs/dbraw/zinc/62/31/33/627623133.db2.gz PTEJIOYILZQBHW-UHFFFAOYSA-N 1 0 318.461 3.417 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000815093050 627625727 /nfs/dbraw/zinc/62/57/27/627625727.db2.gz AFRJUALTGBCQBN-AUUYWEPGSA-N 1 0 316.420 3.146 20 10 DGCDRO Cc1cc(C[NH2+][C@]2(CO)CCCc3ccccc32)ccc1N(C)C ZINC000815107099 627627602 /nfs/dbraw/zinc/62/76/02/627627602.db2.gz GCYKFHNXIQFXJA-NRFANRHFSA-N 1 0 324.468 3.375 20 10 DGCDRO CCN(C)c1ccc(C[N@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000815116403 627629362 /nfs/dbraw/zinc/62/93/62/627629362.db2.gz LRFANTRWGXPNFA-UHFFFAOYSA-N 1 0 310.445 3.166 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)cc1F ZINC000815159299 627639248 /nfs/dbraw/zinc/63/92/48/627639248.db2.gz PXOFOTGSFIZENF-KDOFPFPSSA-N 1 0 308.441 3.313 20 10 DGCDRO C[C@@H]1CC2(CC([NH2+]Cc3ccc(N4CCCC4)cc3)C2)CO1 ZINC000924647398 627661943 /nfs/dbraw/zinc/66/19/43/627661943.db2.gz GDQOSDHBLZXXJD-LSJNQWAISA-N 1 0 300.446 3.334 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c(O)c1 ZINC000815558409 627684859 /nfs/dbraw/zinc/68/48/59/627684859.db2.gz BVZWVCUVFUOMEC-OAHLLOKOSA-N 1 0 313.445 3.435 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCOCC2CCOCC2)c(O)c1 ZINC000815582559 627687712 /nfs/dbraw/zinc/68/77/12/627687712.db2.gz JKUHPEGTPDRIMO-MRXNPFEDSA-N 1 0 321.461 3.493 20 10 DGCDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000924871433 627689218 /nfs/dbraw/zinc/68/92/18/627689218.db2.gz NEUHAMPXZLVLQI-MSOLQXFVSA-N 1 0 302.462 3.220 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000815633261 627693121 /nfs/dbraw/zinc/69/31/21/627693121.db2.gz KAZCLFSISZWXEV-MAUKXSAKSA-N 1 0 319.493 3.346 20 10 DGCDRO CC(C)[C@H]1COCC[C@H]1[NH2+]CCCSc1nccs1 ZINC000925101487 627708766 /nfs/dbraw/zinc/70/87/66/627708766.db2.gz IGJYQFABIXKLKF-CHWSQXEVSA-N 1 0 300.493 3.276 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1[O-] ZINC000925779624 627793484 /nfs/dbraw/zinc/79/34/84/627793484.db2.gz YPOKQIRQSBSAOZ-MFKMUULPSA-N 1 0 318.795 3.331 20 10 DGCDRO Oc1c(C[NH+]2CCC(C3OCCO3)CC2)ccc2ccccc21 ZINC000816501242 627797630 /nfs/dbraw/zinc/79/76/30/627797630.db2.gz BVCJXZAUOXZJID-UHFFFAOYSA-N 1 0 313.397 3.130 20 10 DGCDRO Oc1c(C[NH2+]Cc2nnc3n2CCCCC3)ccc2ccccc21 ZINC000816528869 627803172 /nfs/dbraw/zinc/80/31/72/627803172.db2.gz VCEYMDKPFPGJPJ-UHFFFAOYSA-N 1 0 322.412 3.153 20 10 DGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C[NH+]1CCCCC1 ZINC000816536800 627803896 /nfs/dbraw/zinc/80/38/96/627803896.db2.gz KIQLLZAMDCYZNO-LBPRGKRZSA-N 1 0 314.832 3.396 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816550705 627806105 /nfs/dbraw/zinc/80/61/05/627806105.db2.gz YWSPVPCEDDGWSW-LJQANCHMSA-N 1 0 323.392 3.377 20 10 DGCDRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816571356 627810006 /nfs/dbraw/zinc/81/00/06/627810006.db2.gz ATNOSMZIROJNPA-GOSISDBHSA-N 1 0 307.393 3.239 20 10 DGCDRO Oc1c(C[NH2+]Cc2cnn3ccccc23)ccc2ccccc21 ZINC000816609012 627814918 /nfs/dbraw/zinc/81/49/18/627814918.db2.gz PWCGQBCDHZEXPG-UHFFFAOYSA-N 1 0 303.365 3.483 20 10 DGCDRO CC[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H](C)CO ZINC000816653617 627820820 /nfs/dbraw/zinc/82/08/20/627820820.db2.gz AZJHBPWYZBIXBQ-KRWDZBQOSA-N 1 0 324.468 3.452 20 10 DGCDRO Cc1c(Cl)c(C[NH2+]CCCSc2nccs2)nn1C ZINC000817408148 627894550 /nfs/dbraw/zinc/89/45/50/627894550.db2.gz FILUKHXZWWSJSW-UHFFFAOYSA-N 1 0 316.883 3.110 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@@H](CC)C2)ccc1OC ZINC000817413971 627895911 /nfs/dbraw/zinc/89/59/11/627895911.db2.gz AXOIHBMTKGVYRG-SJORKVTESA-N 1 0 307.434 3.279 20 10 DGCDRO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2O)C1 ZINC000817415176 627896897 /nfs/dbraw/zinc/89/68/97/627896897.db2.gz TZLHNAHMRMEBQV-DZGCQCFKSA-N 1 0 305.418 3.192 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1cn(C)cn1 ZINC000926596566 627919975 /nfs/dbraw/zinc/91/99/75/627919975.db2.gz PWLXUVLBTTXQBP-HUUCEWRRSA-N 1 0 300.450 3.076 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1 ZINC000817584934 627926281 /nfs/dbraw/zinc/92/62/81/627926281.db2.gz BDCIVVWDNKEMAH-BFYDXBDKSA-N 1 0 317.477 3.085 20 10 DGCDRO COC1([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)CCOCC1 ZINC000817587679 627926603 /nfs/dbraw/zinc/92/66/03/627926603.db2.gz HDCVZRPLRYVVJW-VXGBXAGGSA-N 1 0 313.825 3.280 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000817939863 627967194 /nfs/dbraw/zinc/96/71/94/627967194.db2.gz CTEOXDREYURWGN-XUJLQICISA-N 1 0 311.420 3.166 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCc3c2cccc3F)cc1 ZINC000817938975 627967843 /nfs/dbraw/zinc/96/78/43/627967843.db2.gz WQVJFQPUHLHANZ-RTBURBONSA-N 1 0 313.420 3.169 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817940788 627968692 /nfs/dbraw/zinc/96/86/92/627968692.db2.gz HSXVBHSSCKEOEE-KDOFPFPSSA-N 1 0 313.445 3.117 20 10 DGCDRO CC(C)[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817944143 627970105 /nfs/dbraw/zinc/97/01/05/627970105.db2.gz XOZWQGRAHZERDQ-OALUTQOASA-N 1 0 312.461 3.134 20 10 DGCDRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc(N2CCCCC2)cc1 ZINC000817945853 627970550 /nfs/dbraw/zinc/97/05/50/627970550.db2.gz NINLLWDPKPRFBX-SJLPKXTDSA-N 1 0 301.478 3.470 20 10 DGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000817956665 627973889 /nfs/dbraw/zinc/97/38/89/627973889.db2.gz AFFXSJCREPOWCQ-GOSISDBHSA-N 1 0 311.385 3.387 20 10 DGCDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817956352 627974158 /nfs/dbraw/zinc/97/41/58/627974158.db2.gz XCYTZWDRKBLCRL-HNNXBMFYSA-N 1 0 311.429 3.127 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)c2c1c(F)ccc2O ZINC000817958410 627974929 /nfs/dbraw/zinc/97/49/29/627974929.db2.gz VJMMGFQZLXUIHF-NHYWBVRUSA-N 1 0 300.377 3.494 20 10 DGCDRO CC[C@@H]([NH2+]CCc1cc(C)n(C)n1)c1cc(Cl)ccc1O ZINC000926912188 627977900 /nfs/dbraw/zinc/97/79/00/627977900.db2.gz UNELXVKSZINLMU-OAHLLOKOSA-N 1 0 307.825 3.371 20 10 DGCDRO Cc1cc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)nn1C ZINC000926910936 627978101 /nfs/dbraw/zinc/97/81/01/627978101.db2.gz NMGRSQJZVRHMAS-LBPRGKRZSA-N 1 0 307.825 3.289 20 10 DGCDRO Cc1cc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)nn1C ZINC000926910933 627978285 /nfs/dbraw/zinc/97/82/85/627978285.db2.gz NMGRSQJZVRHMAS-GFCCVEGCSA-N 1 0 307.825 3.289 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817970391 627978936 /nfs/dbraw/zinc/97/89/36/627978936.db2.gz UKPWNVZTZZOBQW-GARJFASQSA-N 1 0 302.340 3.332 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000817969927 627979157 /nfs/dbraw/zinc/97/91/57/627979157.db2.gz IIMHSOVRTIMHRF-KWBADKCTSA-N 1 0 302.340 3.060 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817970895 627980309 /nfs/dbraw/zinc/98/03/09/627980309.db2.gz GVZLGZJOHYTVPK-VWYCJHECSA-N 1 0 302.340 3.202 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(C(F)(F)F)cc1O ZINC000817976889 627981758 /nfs/dbraw/zinc/98/17/58/627981758.db2.gz WMFFOEIMFYCFQI-GMXVVIOVSA-N 1 0 320.330 3.152 20 10 DGCDRO C[NH2+]CCCN(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000818015294 627987180 /nfs/dbraw/zinc/98/71/80/627987180.db2.gz VNTCNXSHAYFBTQ-UHFFFAOYSA-N 1 0 313.445 3.084 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1 ZINC000926966241 627991026 /nfs/dbraw/zinc/99/10/26/627991026.db2.gz ZILJZUKALZMCBV-SMDDNHRTSA-N 1 0 304.356 3.234 20 10 DGCDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000927016136 627998298 /nfs/dbraw/zinc/99/82/98/627998298.db2.gz HRZNSJQUULFBKP-CMPLNLGQSA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c(O)c1 ZINC000927056171 628003435 /nfs/dbraw/zinc/00/34/35/628003435.db2.gz JEKWDFLFGOMVFM-XOUADPBQSA-N 1 0 305.418 3.342 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1 ZINC000927056644 628004248 /nfs/dbraw/zinc/00/42/48/628004248.db2.gz CUVGHXCKNKEQAT-UWIFEVILSA-N 1 0 318.461 3.476 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000927058696 628004719 /nfs/dbraw/zinc/00/47/19/628004719.db2.gz SXWOEGHGYCJYSI-DDBAPUKQSA-N 1 0 318.461 3.476 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc(C)s3)C2)cc1 ZINC000818222587 628006287 /nfs/dbraw/zinc/00/62/87/628006287.db2.gz YWWBUWBTCOISHT-AWEZNQCLSA-N 1 0 317.458 3.076 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)c1O ZINC000927069702 628007533 /nfs/dbraw/zinc/00/75/33/628007533.db2.gz ZVUHUHAYGOCKIO-WBMJQRKESA-N 1 0 303.406 3.182 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000818343191 628015778 /nfs/dbraw/zinc/01/57/78/628015778.db2.gz ZDBCVTHWSVGHJL-WTLGNFPFSA-N 1 0 300.446 3.300 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)Cc3ccoc3)C2)cc1 ZINC000818341911 628015811 /nfs/dbraw/zinc/01/58/11/628015811.db2.gz IVSVVJJJZQCSGI-RDJZCZTQSA-N 1 0 314.429 3.335 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cscn3)C2)cc1 ZINC000818342521 628015876 /nfs/dbraw/zinc/01/58/76/628015876.db2.gz SCNKEFKIHPKGSP-KBPBESRZSA-N 1 0 317.458 3.329 20 10 DGCDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000818344514 628016415 /nfs/dbraw/zinc/01/64/15/628016415.db2.gz DSQFYTSNUFWNNX-LBPRGKRZSA-N 1 0 314.433 3.042 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccco3)C2)cc1 ZINC000818344639 628016811 /nfs/dbraw/zinc/01/68/11/628016811.db2.gz PMWYQEMDVSGDOX-HUUCEWRRSA-N 1 0 300.402 3.465 20 10 DGCDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000818349223 628017335 /nfs/dbraw/zinc/01/73/35/628017335.db2.gz DMLKXXGCJIXPRE-ZDUSSCGKSA-N 1 0 321.442 3.021 20 10 DGCDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000927142360 628025698 /nfs/dbraw/zinc/02/56/98/628025698.db2.gz KPTVTJZVUPHJNH-KPOBHBOGSA-N 1 0 310.441 3.452 20 10 DGCDRO OC1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CCCCC1 ZINC000818963909 628069005 /nfs/dbraw/zinc/06/90/05/628069005.db2.gz FBAYIURFZFSTKP-UHFFFAOYSA-N 1 0 320.502 3.025 20 10 DGCDRO CSC[C@@H](O)C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000818981114 628072522 /nfs/dbraw/zinc/07/25/22/628072522.db2.gz QWLPENKOQNSWCX-SFHVURJKSA-N 1 0 322.518 3.269 20 10 DGCDRO O[C@H](C[NH2+]CCCSc1nccs1)c1cccc(F)c1 ZINC000819062760 628085141 /nfs/dbraw/zinc/08/51/41/628085141.db2.gz JJYFUIJHSTUJRK-CYBMUJFWSA-N 1 0 312.435 3.088 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000819076439 628087639 /nfs/dbraw/zinc/08/76/39/628087639.db2.gz CBFSHQXKSDIIAQ-GOSISDBHSA-N 1 0 320.383 3.162 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000819076440 628087717 /nfs/dbraw/zinc/08/77/17/628087717.db2.gz CBFSHQXKSDIIAQ-SFHVURJKSA-N 1 0 320.383 3.162 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1C ZINC000819077483 628087767 /nfs/dbraw/zinc/08/77/67/628087767.db2.gz MAGQMDASXPSSHZ-LJQANCHMSA-N 1 0 316.420 3.332 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1cccc(F)c1 ZINC000819094432 628091334 /nfs/dbraw/zinc/09/13/34/628091334.db2.gz GRHMULJLMLORTI-IBGZPJMESA-N 1 0 312.388 3.025 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]CC3(SC)CCC3)C2)cc1 ZINC000822494067 628457773 /nfs/dbraw/zinc/45/77/73/628457773.db2.gz FMYHFKDCOXHHFJ-OAHLLOKOSA-N 1 0 320.502 3.397 20 10 DGCDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823924092 628610370 /nfs/dbraw/zinc/61/03/70/628610370.db2.gz RCPDXXUIXUZRSM-LSDHHAIUSA-N 1 0 318.486 3.491 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCCC2CCOCC2)c1O ZINC000824477077 628664123 /nfs/dbraw/zinc/66/41/23/628664123.db2.gz BJAQNCRDIHPZPZ-UHFFFAOYSA-N 1 0 313.825 3.351 20 10 DGCDRO Cc1noc(C2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)n1 ZINC000824593868 628674961 /nfs/dbraw/zinc/67/49/61/628674961.db2.gz SIVSQVWSQCGRAF-UHFFFAOYSA-N 1 0 321.808 3.425 20 10 DGCDRO Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824636838 628679288 /nfs/dbraw/zinc/67/92/88/628679288.db2.gz UHQMZMYDOUEEAK-MJGOQNOKSA-N 1 0 315.388 3.001 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(O)c1 ZINC000824695984 628684516 /nfs/dbraw/zinc/68/45/16/628684516.db2.gz GAICKJIQYSVATA-KSZLIROESA-N 1 0 319.445 3.306 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000824701719 628684991 /nfs/dbraw/zinc/68/49/91/628684991.db2.gz ABQBGYKHNXUXOG-MSOLQXFVSA-N 1 0 316.445 3.108 20 10 DGCDRO CC[C@](C)(C[NH2+]Cc1cc(Br)cc(C)c1O)OC ZINC000824743543 628688905 /nfs/dbraw/zinc/68/89/05/628688905.db2.gz FVFZKAZFTIUNNK-CQSZACIVSA-N 1 0 316.239 3.368 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1F ZINC000824750252 628689508 /nfs/dbraw/zinc/68/95/08/628689508.db2.gz FWQFBFJSUULGSI-OAHLLOKOSA-N 1 0 306.425 3.331 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000824750319 628689614 /nfs/dbraw/zinc/68/96/14/628689614.db2.gz HNZMYTCZRYMWON-CQSZACIVSA-N 1 0 305.418 3.230 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000824798373 628694554 /nfs/dbraw/zinc/69/45/54/628694554.db2.gz DBCAGJYTHCWSRT-KSSFIOAISA-N 1 0 307.434 3.332 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)CC1(C)C ZINC000824820211 628697191 /nfs/dbraw/zinc/69/71/91/628697191.db2.gz BNQCTBSUTDALPC-CYBMUJFWSA-N 1 0 301.789 3.432 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1O ZINC000824844853 628699570 /nfs/dbraw/zinc/69/95/70/628699570.db2.gz DVHCTGNKAKXHAK-DOTOQJQBSA-N 1 0 309.450 3.170 20 10 DGCDRO OC[C@H]([C@H]([NH2+]Cc1ccc2ccccc2c1O)C1CC1)C1CC1 ZINC000824846328 628700228 /nfs/dbraw/zinc/70/02/28/628700228.db2.gz QRPBZQOCSSJMJN-RBUKOAKNSA-N 1 0 311.425 3.432 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@H](C)O ZINC000824922233 628707188 /nfs/dbraw/zinc/70/71/88/628707188.db2.gz YJCAYKQJYYWYDK-KBXCAEBGSA-N 1 0 315.413 3.220 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1C ZINC000824952724 628710002 /nfs/dbraw/zinc/71/00/02/628710002.db2.gz DIUCBTCULKKKPM-PKOBYXMFSA-N 1 0 312.413 3.414 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000824955232 628710713 /nfs/dbraw/zinc/71/07/13/628710713.db2.gz VKPYVNXDBZEBRT-DOTOQJQBSA-N 1 0 318.804 3.451 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)c2nccn21 ZINC000825017447 628716676 /nfs/dbraw/zinc/71/66/76/628716676.db2.gz RSQARMQUBYRPTN-BXKDBHETSA-N 1 0 322.206 3.147 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825016328 628716761 /nfs/dbraw/zinc/71/67/61/628716761.db2.gz ATFLSYAIIHGHHT-SKDRFNHKSA-N 1 0 307.781 3.046 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000825040491 628719492 /nfs/dbraw/zinc/71/94/92/628719492.db2.gz LHRLBWZPKRTQLY-KGLIPLIRSA-N 1 0 311.809 3.175 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000825086020 628726188 /nfs/dbraw/zinc/72/61/88/628726188.db2.gz OSKQXFPHDYNYCK-RHSMWYFYSA-N 1 0 318.804 3.451 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000825086487 628726364 /nfs/dbraw/zinc/72/63/64/628726364.db2.gz SUWWDKYVPYDRRF-CZUORRHYSA-N 1 0 319.426 3.472 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1 ZINC000825104227 628728289 /nfs/dbraw/zinc/72/82/89/628728289.db2.gz RINBYMGHYWOTRW-SJORKVTESA-N 1 0 305.418 3.180 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2F)CC1 ZINC000825137479 628731221 /nfs/dbraw/zinc/73/12/21/628731221.db2.gz ASUWBRVGJKRXTE-HFTRVMKXSA-N 1 0 318.436 3.065 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)COCC(F)(F)F)cc1Cl ZINC000825150895 628733081 /nfs/dbraw/zinc/73/30/81/628733081.db2.gz LQRIJQKAPREEON-SECBINFHSA-N 1 0 311.731 3.411 20 10 DGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825247703 628742309 /nfs/dbraw/zinc/74/23/09/628742309.db2.gz VYXCIQLMMWQLBL-SECBINFHSA-N 1 0 324.222 3.047 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc1Cl ZINC000825291290 628747305 /nfs/dbraw/zinc/74/73/05/628747305.db2.gz IQVQMOZQRVWABZ-GXTWGEPZSA-N 1 0 324.852 3.091 20 10 DGCDRO CC(=O)NC1CCC([N@H+](C)Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825497116 628768516 /nfs/dbraw/zinc/76/85/16/628768516.db2.gz CNBWPCQYIVGZAN-UHFFFAOYSA-N 1 0 324.852 3.233 20 10 DGCDRO COc1cc(C[N@@H+]2CCC23CCOCC3)c(O)c(C(C)(C)C)c1 ZINC000825710762 628788488 /nfs/dbraw/zinc/78/84/88/628788488.db2.gz ZYRJQLQOCIODIC-UHFFFAOYSA-N 1 0 319.445 3.453 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](COC)CC1CCOCC1 ZINC000825710692 628788750 /nfs/dbraw/zinc/78/87/50/628788750.db2.gz YEXLBFMBDSTZQT-LJQANCHMSA-N 1 0 320.477 3.193 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1Cl ZINC000826030487 628821441 /nfs/dbraw/zinc/82/14/41/628821441.db2.gz ZVXRBCQSVBPIDA-OAHLLOKOSA-N 1 0 323.795 3.186 20 10 DGCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(Br)cc2O)cn1 ZINC000826097139 628827539 /nfs/dbraw/zinc/82/75/39/628827539.db2.gz PTYIUABCUOEECM-JTQLQIEISA-N 1 0 324.222 3.222 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@H](O)C(C)C ZINC000826120790 628829515 /nfs/dbraw/zinc/82/95/15/628829515.db2.gz JBZRNFZTCFQHOT-TZMCWYRMSA-N 1 0 316.239 3.040 20 10 DGCDRO Cc1cc(O)c(CNCc2nnc(C3CC3)s2)cc1Cl ZINC000826124015 628830061 /nfs/dbraw/zinc/83/00/61/628830061.db2.gz YMDXWVLIJVFSIQ-UHFFFAOYSA-N 1 0 309.822 3.373 20 10 DGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000826878161 628898936 /nfs/dbraw/zinc/89/89/36/628898936.db2.gz VPIQYGJKCYYMTI-SFHVURJKSA-N 1 0 313.397 3.240 20 10 DGCDRO CCc1ccc(C)[nH+]c1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000826910327 628902488 /nfs/dbraw/zinc/90/24/88/628902488.db2.gz FEQUPUFFIQSLSR-UHFFFAOYSA-N 1 0 317.345 3.187 20 10 DGCDRO C[C@H](COc1c(F)cccc1F)[NH2+]Cc1cc(F)ccc1O ZINC000827099021 628921642 /nfs/dbraw/zinc/92/16/42/628921642.db2.gz OTKVRPYTEZRLFW-SNVBAGLBSA-N 1 0 311.303 3.367 20 10 DGCDRO COc1cc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000827147683 628928415 /nfs/dbraw/zinc/92/84/15/628928415.db2.gz VPDQMHDRGXPXGU-CHWSQXEVSA-N 1 0 321.461 3.147 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000827196631 628935503 /nfs/dbraw/zinc/93/55/03/628935503.db2.gz MUMBVELFPCKWFC-RBUKOAKNSA-N 1 0 311.425 3.299 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]CCc2ccoc2)c1O ZINC000827229442 628939125 /nfs/dbraw/zinc/93/91/25/628939125.db2.gz DPNBVHYKSXFFIF-UHFFFAOYSA-N 1 0 310.191 3.388 20 10 DGCDRO FCC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827270810 628943641 /nfs/dbraw/zinc/94/36/41/628943641.db2.gz GNTCCDCFIZWQBJ-INIZCTEOSA-N 1 0 306.425 3.095 20 10 DGCDRO CCc1cc(NCc2ccc(N3CCSCC3)cc2)cc[nH+]1 ZINC000827411174 628956251 /nfs/dbraw/zinc/95/62/51/628956251.db2.gz KTGMPRDCSWUYHL-UHFFFAOYSA-N 1 0 313.470 3.231 20 10 DGCDRO CCc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc[nH+]1 ZINC000827457568 628961423 /nfs/dbraw/zinc/96/14/23/628961423.db2.gz AIXXKFFDXZZHNB-HNNXBMFYSA-N 1 0 311.429 3.076 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]CC2(O)CCC(F)(F)CC2)c1O ZINC000827649252 628980042 /nfs/dbraw/zinc/98/00/42/628980042.db2.gz HWFVNNOYZSAKGZ-UHFFFAOYSA-N 1 0 319.779 3.384 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)cc1Cl ZINC000827687055 628983042 /nfs/dbraw/zinc/98/30/42/628983042.db2.gz KETPHAPNNZXZAZ-ZDUSSCGKSA-N 1 0 324.852 3.091 20 10 DGCDRO C[N@H+](CC1=CCSC1)Cc1ccc(Br)cc1O ZINC000827812408 628993926 /nfs/dbraw/zinc/99/39/26/628993926.db2.gz MHGRZMCTEKDPSV-UHFFFAOYSA-N 1 0 314.248 3.260 20 10 DGCDRO CN(c1ccc(CNC(=O)CCCC[NH3+])cc1)C1CCCCC1 ZINC000827821307 628994599 /nfs/dbraw/zinc/99/45/99/628994599.db2.gz VMBCVEBLLKBRNG-UHFFFAOYSA-N 1 0 317.477 3.201 20 10 DGCDRO COC[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827872646 628999267 /nfs/dbraw/zinc/99/92/67/628999267.db2.gz FHLZHYSMYZJGMQ-GOSISDBHSA-N 1 0 302.462 3.454 20 10 DGCDRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000827946878 629006504 /nfs/dbraw/zinc/00/65/04/629006504.db2.gz UEAMMYHWKJQDKY-NVXWUHKLSA-N 1 0 324.424 3.092 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)C2(C)C)ccc1N1CCCCC1 ZINC000829974069 629214151 /nfs/dbraw/zinc/21/41/51/629214151.db2.gz VPBZKDVHCKRJAP-GOSISDBHSA-N 1 0 302.462 3.331 20 10 DGCDRO Cc1cc(C[NH2+][C@H](CCO)c2ccccc2F)ccc1N(C)C ZINC000830356059 629257763 /nfs/dbraw/zinc/25/77/63/629257763.db2.gz URFRAZJZFCKKQW-GOSISDBHSA-N 1 0 316.420 3.413 20 10 DGCDRO Cc1cc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)ccc1N(C)C ZINC000830603605 629287198 /nfs/dbraw/zinc/28/71/98/629287198.db2.gz XDDSIFSDAMFNHE-MRXNPFEDSA-N 1 0 302.462 3.452 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000831165804 629345455 /nfs/dbraw/zinc/34/54/55/629345455.db2.gz NCFKTAATLTVXCS-QRVBRYPASA-N 1 0 302.462 3.268 20 10 DGCDRO CC(C)CCCCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832265998 629457280 /nfs/dbraw/zinc/45/72/80/629457280.db2.gz CGAUHPJDXWFNEZ-GOSISDBHSA-N 1 0 319.493 3.475 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2CCCCCC2)cc1 ZINC000832267518 629457705 /nfs/dbraw/zinc/45/77/05/629457705.db2.gz UKHTZXYXKUBTHD-SFHVURJKSA-N 1 0 317.477 3.229 20 10 DGCDRO CCCC[C@@H](CC)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272525 629457863 /nfs/dbraw/zinc/45/78/63/629457863.db2.gz GLYNJLLAEIZMKY-CRAIPNDOSA-N 1 0 319.493 3.475 20 10 DGCDRO C[C@H](CC1CCCC1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274833 629458445 /nfs/dbraw/zinc/45/84/45/629458445.db2.gz ZOZGNRBBRNMRFH-KDOFPFPSSA-N 1 0 317.477 3.085 20 10 DGCDRO CCCNC(=O)c1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000834513648 629719680 /nfs/dbraw/zinc/71/96/80/629719680.db2.gz NTTBRTYLUKLJRN-KRWDZBQOSA-N 1 0 324.424 3.309 20 10 DGCDRO Fc1cc(C[NH2+][C@@H](C2CC2)C2CCC2)ccc1N1CCOCC1 ZINC000834518997 629719930 /nfs/dbraw/zinc/71/99/30/629719930.db2.gz OSMUVIOMYKYMHB-LJQANCHMSA-N 1 0 318.436 3.331 20 10 DGCDRO COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000834606211 629739185 /nfs/dbraw/zinc/73/91/85/629739185.db2.gz GGJZAUQNXZPYRR-CXAGYDPISA-N 1 0 313.397 3.445 20 10 DGCDRO COc1cccc(OCCC[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000834664876 629751189 /nfs/dbraw/zinc/75/11/89/629751189.db2.gz XBHGUOSCYROCBP-QGZVFWFLSA-N 1 0 313.397 3.447 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H](O)c1cccc(F)c1 ZINC000834676471 629754908 /nfs/dbraw/zinc/75/49/08/629754908.db2.gz UXZFJPWUQALSPV-GEWABHDNSA-N 1 0 301.361 3.230 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOc1ncccc1Cl)CC2 ZINC000834680930 629755805 /nfs/dbraw/zinc/75/58/05/629755805.db2.gz PFSDZBZRFFXBIP-ZDUSSCGKSA-N 1 0 304.777 3.097 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C1(c3ccc4c(c3)OCO4)CC1)CC2 ZINC000834729197 629767908 /nfs/dbraw/zinc/76/79/08/629767908.db2.gz ATDDHJOFROLWEQ-CQSZACIVSA-N 1 0 309.365 3.387 20 10 DGCDRO OC[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)C[C@H]1c1ccccc1 ZINC000834803015 629782024 /nfs/dbraw/zinc/78/20/24/629782024.db2.gz IGUZGZSFSIUMHX-ABSDTBQOSA-N 1 0 309.409 3.135 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cc(Br)ccc1O ZINC000834831391 629786075 /nfs/dbraw/zinc/78/60/75/629786075.db2.gz JJIHYLOAUDEJNQ-JOYOIKCWSA-N 1 0 322.206 3.147 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(Br)cc1O ZINC000834833218 629786862 /nfs/dbraw/zinc/78/68/62/629786862.db2.gz VZHDFQYBSJCHLX-JOYOIKCWSA-N 1 0 322.206 3.147 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(Br)cc1O ZINC000834833217 629786929 /nfs/dbraw/zinc/78/69/29/629786929.db2.gz VZHDFQYBSJCHLX-CABZTGNLSA-N 1 0 322.206 3.147 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(Br)cc1O ZINC000834833219 629787378 /nfs/dbraw/zinc/78/73/78/629787378.db2.gz VZHDFQYBSJCHLX-SKDRFNHKSA-N 1 0 322.206 3.147 20 10 DGCDRO CCC[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000834841576 629788474 /nfs/dbraw/zinc/78/84/74/629788474.db2.gz XHRDGKJQTUIUHR-GDBMZVCRSA-N 1 0 324.440 3.128 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cc(Br)ccc1O ZINC000834875038 629794714 /nfs/dbraw/zinc/79/47/14/629794714.db2.gz KMMGERBPEKWNDJ-RNCFNFMXSA-N 1 0 314.223 3.373 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc(Br)ccc1O ZINC000834915205 629807665 /nfs/dbraw/zinc/80/76/65/629807665.db2.gz PAUSEWDTMXMLIE-FOGDFJRCSA-N 1 0 314.223 3.373 20 10 DGCDRO CC[N@@H+]1C[C@H](C)N(C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C ZINC000835025884 629827325 /nfs/dbraw/zinc/82/73/25/629827325.db2.gz MLCWPEIXNLHALQ-PWHGLLLSSA-N 1 0 301.478 3.180 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000835026075 629827805 /nfs/dbraw/zinc/82/78/05/629827805.db2.gz PEFSTINFGKLVHO-ZMBJWTFHSA-N 1 0 313.489 3.184 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000835029567 629829031 /nfs/dbraw/zinc/82/90/31/629829031.db2.gz RKSWMYYAVUROTM-GVKBTVHKSA-N 1 0 300.446 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000835029329 629829069 /nfs/dbraw/zinc/82/90/69/629829069.db2.gz WPBVOLOFWNDCDX-ONEGZZNKSA-N 1 0 310.445 3.369 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000835034923 629830287 /nfs/dbraw/zinc/83/02/87/629830287.db2.gz ZVSDEMVDUQGJIX-YEODSOHDSA-N 1 0 313.445 3.251 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](CO)Cc2ccccc2)cc1 ZINC000835035166 629830471 /nfs/dbraw/zinc/83/04/71/629830471.db2.gz HSHMJSUDVBHHFT-ZGBFETHSSA-N 1 0 324.468 3.207 20 10 DGCDRO CC[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCCC1 ZINC000835035929 629830688 /nfs/dbraw/zinc/83/06/88/629830688.db2.gz LQGOQYRKMCJNLK-DVBCCOPCSA-N 1 0 301.478 3.230 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)C2CCCCC2)cc1 ZINC000835037111 629830958 /nfs/dbraw/zinc/83/09/58/629830958.db2.gz NTXPQSKUAAJISG-GHOSXJJBSA-N 1 0 302.462 3.297 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)c2ccccc2F)cc1 ZINC000835036972 629830996 /nfs/dbraw/zinc/83/09/96/629830996.db2.gz SPHLMOHAKBJCHV-UEKDZROGSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@](C)(O)c2ccccc2)cc1 ZINC000835038963 629831209 /nfs/dbraw/zinc/83/12/09/629831209.db2.gz DOPJPTZQCVFMQQ-AQWUKCDYSA-N 1 0 310.441 3.263 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)C2CCCCC2)cc1 ZINC000835037112 629831459 /nfs/dbraw/zinc/83/14/59/629831459.db2.gz NTXPQSKUAAJISG-LIXSYLKWSA-N 1 0 302.462 3.297 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1O ZINC000835037695 629831540 /nfs/dbraw/zinc/83/15/40/629831540.db2.gz SDYBMIQKWVVACS-PLNGDYQASA-N 1 0 312.413 3.270 20 10 DGCDRO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1 ZINC000835040373 629831889 /nfs/dbraw/zinc/83/18/89/629831889.db2.gz OWCRUTFBDFXWAJ-KXPUMZMLSA-N 1 0 323.440 3.383 20 10 DGCDRO CC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@@H](O)C(F)(F)F ZINC000835042040 629832841 /nfs/dbraw/zinc/83/28/41/629832841.db2.gz QJTPLVSVVJDIEX-ICWYTKJFSA-N 1 0 316.367 3.057 20 10 DGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042172 629833210 /nfs/dbraw/zinc/83/32/10/629833210.db2.gz DUDDUZSKJGYHIW-WFEZPHLISA-N 1 0 314.429 3.461 20 10 DGCDRO COC(=O)[C@H](C)C[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835043939 629833625 /nfs/dbraw/zinc/83/36/25/629833625.db2.gz CRCRDRPNWNFZCW-LLYBFZRZSA-N 1 0 316.445 3.039 20 10 DGCDRO CCN(C/C=C\c1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000835046597 629834853 /nfs/dbraw/zinc/83/48/53/629834853.db2.gz TYQBYRFNKUOOLT-IYKSTZQJSA-N 1 0 316.367 3.011 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000835048025 629835608 /nfs/dbraw/zinc/83/56/08/629835608.db2.gz DRHDQWLSVNRUGL-MJICGBHWSA-N 1 0 324.472 3.379 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000835049011 629835793 /nfs/dbraw/zinc/83/57/93/629835793.db2.gz DLKVQZJVBHRLIL-JUGMSXHOSA-N 1 0 300.446 3.268 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000835047334 629835819 /nfs/dbraw/zinc/83/58/19/629835819.db2.gz GGUQYTFPXLRSFX-LLCTXKFZSA-N 1 0 310.388 3.469 20 10 DGCDRO C[C@@H](CO)[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC1CCC1 ZINC000835049529 629836672 /nfs/dbraw/zinc/83/66/72/629836672.db2.gz JNGKWIMMZCHXST-WHWKNOJMSA-N 1 0 302.462 3.249 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000835051834 629836902 /nfs/dbraw/zinc/83/69/02/629836902.db2.gz KIQLLCKDSYVLKW-WUUFJKRQSA-N 1 0 323.440 3.314 20 10 DGCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000835052523 629837171 /nfs/dbraw/zinc/83/71/71/629837171.db2.gz GIYFUMZIVTWPSM-QNAMOWSRSA-N 1 0 310.441 3.478 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c(O)c1 ZINC000835053245 629837510 /nfs/dbraw/zinc/83/75/10/629837510.db2.gz UVMZAZQLNMBNQY-SNAWJCMRSA-N 1 0 312.413 3.270 20 10 DGCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835054801 629838961 /nfs/dbraw/zinc/83/89/61/629838961.db2.gz YQIUFRFGRBPGNF-LDBCMITESA-N 1 0 313.489 3.324 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ncccc2N(C)C)cc1 ZINC000835055727 629839981 /nfs/dbraw/zinc/83/99/81/629839981.db2.gz NURJZBLTCHRFEF-ALCCZGGFSA-N 1 0 310.445 3.017 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2ccc(C)cn2)ccc1OC ZINC000835066185 629842832 /nfs/dbraw/zinc/84/28/32/629842832.db2.gz UNIPZAZSCKEWAO-UHFFFAOYSA-N 1 0 314.429 3.267 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N(C)C)cc2)cc1C ZINC000835072365 629843663 /nfs/dbraw/zinc/84/36/63/629843663.db2.gz GFBAEQGHIQAMKH-IBGZPJMESA-N 1 0 312.457 3.063 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C2CCN(OC)CC2)cc1F ZINC000835076697 629845179 /nfs/dbraw/zinc/84/51/79/629845179.db2.gz UNTZKPSCQPZSOR-UHFFFAOYSA-N 1 0 323.456 3.130 20 10 DGCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)O1 ZINC000835085954 629847451 /nfs/dbraw/zinc/84/74/51/629847451.db2.gz DCBLMBKEYLNRNJ-BXUZGUMPSA-N 1 0 316.367 3.429 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1C ZINC000840719975 630352014 /nfs/dbraw/zinc/35/20/14/630352014.db2.gz XKSWIXQWADARLA-ZRGWGRIASA-N 1 0 302.462 3.029 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2cccc(F)c2)c(Cl)c1 ZINC000840886462 630372577 /nfs/dbraw/zinc/37/25/77/630372577.db2.gz XBKORRDAYPGVTF-INIZCTEOSA-N 1 0 309.768 3.316 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840896646 630374331 /nfs/dbraw/zinc/37/43/31/630374331.db2.gz FZHSTPXAWMWPFL-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cc2c(cc1O)CCCC2 ZINC000840895419 630374642 /nfs/dbraw/zinc/37/46/42/630374642.db2.gz LRNBEAAHXAZSIL-GRDNDAEWSA-N 1 0 303.446 3.473 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c(Cl)c1 ZINC000840897263 630374678 /nfs/dbraw/zinc/37/46/78/630374678.db2.gz LLYKVQKYMJUCJY-STQMWFEESA-N 1 0 324.852 3.091 20 10 DGCDRO CCOC(=O)C1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840907279 630375606 /nfs/dbraw/zinc/37/56/06/630375606.db2.gz BJMYWRWKPFVZGM-UHFFFAOYSA-N 1 0 311.809 3.129 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000840916656 630377770 /nfs/dbraw/zinc/37/77/70/630377770.db2.gz COXJTWURPMEEKY-UHFFFAOYSA-N 1 0 302.462 3.454 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000840927713 630379453 /nfs/dbraw/zinc/37/94/53/630379453.db2.gz APAIXKHIVPZPKN-GOSISDBHSA-N 1 0 320.383 3.162 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000840931088 630380012 /nfs/dbraw/zinc/38/00/12/630380012.db2.gz RXNQTYYMELVZSZ-SFHVURJKSA-N 1 0 312.457 3.002 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000840933117 630380036 /nfs/dbraw/zinc/38/00/36/630380036.db2.gz FLPQLVIBUAQKOP-UHFFFAOYSA-N 1 0 313.401 3.302 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)COCC(F)(F)F ZINC000840931114 630380147 /nfs/dbraw/zinc/38/01/47/630380147.db2.gz SMIHSDUSLFMXQA-LBPRGKRZSA-N 1 0 304.356 3.118 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000840937131 630380809 /nfs/dbraw/zinc/38/08/09/630380809.db2.gz HWEZEORQJVZLKC-OALUTQOASA-N 1 0 302.462 3.356 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840938923 630381227 /nfs/dbraw/zinc/38/12/27/630381227.db2.gz JQNLTEBYIZMIGG-LJQANCHMSA-N 1 0 312.457 3.063 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000840940384 630381308 /nfs/dbraw/zinc/38/13/08/630381308.db2.gz ZTBPIVHWSREKQT-HXUWFJFHSA-N 1 0 312.457 3.144 20 10 DGCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000840956102 630385097 /nfs/dbraw/zinc/38/50/97/630385097.db2.gz AWWBLKDFEPLMET-SJLPKXTDSA-N 1 0 313.397 3.099 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cnccc2C(C)(C)C)c1 ZINC000840959792 630386164 /nfs/dbraw/zinc/38/61/64/630386164.db2.gz VNDBZTWWKOALIK-UHFFFAOYSA-N 1 0 300.402 3.383 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)C2(OC)CCC2)ccc1OC ZINC000840969513 630388170 /nfs/dbraw/zinc/38/81/70/630388170.db2.gz GRNSLKLMMAHJPU-AWEZNQCLSA-N 1 0 307.434 3.279 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](CC)[C@H](O)C(C)C)ccc1OC ZINC000840966492 630388259 /nfs/dbraw/zinc/38/82/59/630388259.db2.gz GNSVIJDSUHPCMM-FUHWJXTLSA-N 1 0 309.450 3.117 20 10 DGCDRO COC1([C@@H](C)[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000840970891 630388610 /nfs/dbraw/zinc/38/86/10/630388610.db2.gz ZIDHWVVUQOPQGQ-SNVBAGLBSA-N 1 0 314.223 3.202 20 10 DGCDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCc1ccc(N)cc1 ZINC000841033852 630399329 /nfs/dbraw/zinc/39/93/29/630399329.db2.gz CCPLJRSFMKXOLP-CQSZACIVSA-N 1 0 308.429 3.299 20 10 DGCDRO CN(C)c1ccc(CNC[C@@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000841033167 630399445 /nfs/dbraw/zinc/39/94/45/630399445.db2.gz NZQAYIFWXNFMIX-ZDUSSCGKSA-N 1 0 315.383 3.003 20 10 DGCDRO COc1ccc(OC(F)F)c(C[NH2+]CCc2ccc(N)cc2)c1 ZINC000841035931 630400058 /nfs/dbraw/zinc/40/00/58/630400058.db2.gz QMEYIGDQEADTEA-UHFFFAOYSA-N 1 0 322.355 3.211 20 10 DGCDRO CC(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000841034934 630400066 /nfs/dbraw/zinc/40/00/66/630400066.db2.gz FJJIGRHHHMEQMQ-KRWDZBQOSA-N 1 0 302.393 3.444 20 10 DGCDRO C[C@@H](C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000841046059 630401842 /nfs/dbraw/zinc/40/18/42/630401842.db2.gz VKGYTXBKICKYAK-OXQOHEQNSA-N 1 0 311.473 3.221 20 10 DGCDRO CCOc1cccc(CN2C[C@H](C)[NH2+]Cc3ccccc32)c1O ZINC000841090141 630406812 /nfs/dbraw/zinc/40/68/12/630406812.db2.gz WLKVUQQSAYUIQZ-AWEZNQCLSA-N 1 0 312.413 3.289 20 10 DGCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841301409 630425378 /nfs/dbraw/zinc/42/53/78/630425378.db2.gz NYKIPSDVMQPWHV-RDTXWAMCSA-N 1 0 324.428 3.226 20 10 DGCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841301407 630425665 /nfs/dbraw/zinc/42/56/65/630425665.db2.gz NYKIPSDVMQPWHV-KDOFPFPSSA-N 1 0 324.428 3.226 20 10 DGCDRO C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(N(C)C)cc1 ZINC000841333638 630429513 /nfs/dbraw/zinc/42/95/13/630429513.db2.gz ZWSZHWWODDQJPO-ZDUSSCGKSA-N 1 0 324.428 3.239 20 10 DGCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841688447 630454683 /nfs/dbraw/zinc/45/46/83/630454683.db2.gz HPDMIKCACOBFDI-VYDXJSESSA-N 1 0 319.445 3.465 20 10 DGCDRO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841746260 630461668 /nfs/dbraw/zinc/46/16/68/630461668.db2.gz XBWPRYYRKREOSU-MEDUHNTESA-N 1 0 321.804 3.438 20 10 DGCDRO COC1(C(F)(F)F)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000841888549 630472966 /nfs/dbraw/zinc/47/29/66/630472966.db2.gz LNXSMOOQPXVWMA-UHFFFAOYSA-N 1 0 316.367 3.296 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000841955053 630477007 /nfs/dbraw/zinc/47/70/07/630477007.db2.gz YIPLABXUUCXIGQ-INIZCTEOSA-N 1 0 321.465 3.077 20 10 DGCDRO Oc1ccccc1C[N@H+](CCOCC1CCC1)C[C@H]1CCCO1 ZINC000842152883 630499191 /nfs/dbraw/zinc/49/91/91/630499191.db2.gz JYNVNFRYZYHPOH-GOSISDBHSA-N 1 0 319.445 3.190 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC(F)F ZINC000842727178 630568299 /nfs/dbraw/zinc/56/82/99/630568299.db2.gz DQVLTGYFZSEIGW-GFCCVEGCSA-N 1 0 316.367 3.043 20 10 DGCDRO CC[C@H](C)C[C@@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000842756572 630571834 /nfs/dbraw/zinc/57/18/34/630571834.db2.gz NYKWBPZPXGLLKE-RDJZCZTQSA-N 1 0 320.477 3.051 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)[C@@H]1SC ZINC000842767854 630574074 /nfs/dbraw/zinc/57/40/74/630574074.db2.gz LKFWEXRGYIZZJA-YUELXQCFSA-N 1 0 315.866 3.353 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc2n(n1)CCCC2 ZINC000842835964 630583129 /nfs/dbraw/zinc/58/31/29/630583129.db2.gz JUJLIYCWLUOWAE-HNNXBMFYSA-N 1 0 324.472 3.453 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c(O)c1C ZINC000842884866 630589693 /nfs/dbraw/zinc/58/96/93/630589693.db2.gz LJJHITDTZFEOLZ-HIFRSBDPSA-N 1 0 304.434 3.059 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)c1O ZINC000842930714 630594786 /nfs/dbraw/zinc/59/47/86/630594786.db2.gz ZOBZFXQAQMPVIH-JBLDHEPKSA-N 1 0 314.223 3.291 20 10 DGCDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000843046675 630608344 /nfs/dbraw/zinc/60/83/44/630608344.db2.gz YWAADUWUUYTZKT-LPHOPBHVSA-N 1 0 301.478 3.379 20 10 DGCDRO Cc1cccc(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1O ZINC000843051779 630609019 /nfs/dbraw/zinc/60/90/19/630609019.db2.gz DPGVNBBSAGCUID-LJQANCHMSA-N 1 0 310.441 3.455 20 10 DGCDRO CCOc1ccc(O)c(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843057455 630609378 /nfs/dbraw/zinc/60/93/78/630609378.db2.gz MREQCNLQBIXYFT-UHFFFAOYSA-N 1 0 312.413 3.202 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccc(Cl)c1O ZINC000843058365 630609791 /nfs/dbraw/zinc/60/97/91/630609791.db2.gz PWGSJIXFPVDDAB-UHFFFAOYSA-N 1 0 302.805 3.457 20 10 DGCDRO C[NH2+]CCC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000843057927 630610060 /nfs/dbraw/zinc/61/00/60/630610060.db2.gz ZFEZHACELXSIPE-UHFFFAOYSA-N 1 0 300.805 3.006 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843124624 630615926 /nfs/dbraw/zinc/61/59/26/630615926.db2.gz DQDSIGPUJYVFNU-NEPJUHHUSA-N 1 0 312.816 3.006 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125282 630616747 /nfs/dbraw/zinc/61/67/47/630616747.db2.gz QRYGGMYOOSYJNT-VXGBXAGGSA-N 1 0 312.816 3.006 20 10 DGCDRO CC(C)CC1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCC1 ZINC000843296627 630643204 /nfs/dbraw/zinc/64/32/04/630643204.db2.gz BNHGPCSFWOBRDC-QGZVFWFLSA-N 1 0 317.477 3.085 20 10 DGCDRO CC1CCC(=CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000843297687 630643668 /nfs/dbraw/zinc/64/36/68/630643668.db2.gz JQWRZFRZASMXBN-IBYPIGCZSA-N 1 0 315.461 3.005 20 10 DGCDRO Cc1ccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c(C)c1 ZINC000843349697 630648802 /nfs/dbraw/zinc/64/88/02/630648802.db2.gz JCQMDPUIKZJRLZ-UHFFFAOYSA-N 1 0 323.440 3.153 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1OC ZINC000843419834 630655610 /nfs/dbraw/zinc/65/56/10/630655610.db2.gz BJCZNNPCWMQMIB-GDBMZVCRSA-N 1 0 313.397 3.303 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000843488441 630662294 /nfs/dbraw/zinc/66/22/94/630662294.db2.gz ZTNCHNNXCZCEFZ-MJGOQNOKSA-N 1 0 317.477 3.009 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC000105436195 630710321 /nfs/dbraw/zinc/71/03/21/630710321.db2.gz CPTONSJKWFDZIP-UHFFFAOYSA-N 1 0 321.465 3.099 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)Cn2ccnc2C)cc1 ZINC000105443462 630712169 /nfs/dbraw/zinc/71/21/69/630712169.db2.gz SUELZJCHNPSCML-INIZCTEOSA-N 1 0 314.477 3.464 20 10 DGCDRO C[N@@H+]1CCC[C@@H]1CN(Cc1ccco1)Cc1ccccc1O ZINC000844308232 630717888 /nfs/dbraw/zinc/71/78/88/630717888.db2.gz XBUCTUIGAZKVTM-MRXNPFEDSA-N 1 0 300.402 3.082 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCC[C@H]2SC)cc1OC ZINC000846011244 631205772 /nfs/dbraw/zinc/20/57/72/631205772.db2.gz WLPBPUUPUTYJQX-MLGOLLRUSA-N 1 0 311.447 3.173 20 10 DGCDRO C[C@@H](O)[C@H]([NH2+]Cc1c(O)cccc1Cl)c1ccccc1F ZINC000846018268 631206328 /nfs/dbraw/zinc/20/63/28/631206328.db2.gz SGQDPFRSZKOVON-HWPZZCPQSA-N 1 0 309.768 3.396 20 10 DGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000846058021 631208615 /nfs/dbraw/zinc/20/86/15/631208615.db2.gz ZXRFQCOUFAVDBS-TZMCWYRMSA-N 1 0 314.223 3.202 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846102294 631209382 /nfs/dbraw/zinc/20/93/82/631209382.db2.gz LMFPNRYCBJOOSO-SNVBAGLBSA-N 1 0 304.217 3.464 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000846100607 631209455 /nfs/dbraw/zinc/20/94/55/631209455.db2.gz PDENUKBPNZLKMP-SPEDKVCISA-N 1 0 320.502 3.018 20 10 DGCDRO FC1(F)C[C@@]12CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000846107859 631209832 /nfs/dbraw/zinc/20/98/32/631209832.db2.gz LIYZWFBYTWNLTK-QGZVFWFLSA-N 1 0 322.399 3.144 20 10 DGCDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)N(C)C ZINC000846139079 631211391 /nfs/dbraw/zinc/21/13/91/631211391.db2.gz POMRTQWLKCAROH-XJKSGUPXSA-N 1 0 308.466 3.418 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)N2CCC[C@H](C)C2)c1O ZINC000846140509 631211516 /nfs/dbraw/zinc/21/15/16/631211516.db2.gz VPNVWKGMWRVJFT-KKUMJFAQSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCN2Cc3ccccc3C2)c1O ZINC000846141944 631211533 /nfs/dbraw/zinc/21/15/33/631211533.db2.gz OLAQYPHJBIIXOX-AWEZNQCLSA-N 1 0 312.413 3.067 20 10 DGCDRO CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846144103 631211736 /nfs/dbraw/zinc/21/17/36/631211736.db2.gz JMJMRFHYBMPDHY-LSDHHAIUSA-N 1 0 306.450 3.316 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)C12CCC2 ZINC000846144514 631211780 /nfs/dbraw/zinc/21/17/80/631211780.db2.gz HJCTZLPABQCNCA-DAXOMENPSA-N 1 0 305.418 3.399 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCCCn2ccnc2C)c1O ZINC000846144568 631211827 /nfs/dbraw/zinc/21/18/27/631211827.db2.gz HWUFHXPEMQYZHT-ZDUSSCGKSA-N 1 0 303.406 3.037 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c1O ZINC000846143483 631211942 /nfs/dbraw/zinc/21/19/42/631211942.db2.gz JBAVFOADPWQJKB-KBPBESRZSA-N 1 0 313.397 3.303 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)c1O ZINC000846145289 631212029 /nfs/dbraw/zinc/21/20/29/631212029.db2.gz PFQPSRGKCQSQSY-CJNGLKHVSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1O ZINC000846145457 631212067 /nfs/dbraw/zinc/21/20/67/631212067.db2.gz FCUSBHYMGSAZRC-LLVKDONJSA-N 1 0 302.330 3.160 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)c1O ZINC000846146922 631212097 /nfs/dbraw/zinc/21/20/97/631212097.db2.gz SWYNDLIWUMWJJY-IAQYHMDHSA-N 1 0 313.401 3.227 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1O ZINC000846146943 631212166 /nfs/dbraw/zinc/21/21/66/631212166.db2.gz SYKQNQUHPWQDLP-GDBMZVCRSA-N 1 0 315.413 3.218 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)c2ccccc2C)c1O ZINC000846148893 631212366 /nfs/dbraw/zinc/21/23/66/631212366.db2.gz UGNNKHWVRUXGLW-XJKSGUPXSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000846155101 631212481 /nfs/dbraw/zinc/21/24/81/631212481.db2.gz DQOZCCGRYYLTMZ-DCGLDWPTSA-N 1 0 323.458 3.106 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1O ZINC000846156230 631212570 /nfs/dbraw/zinc/21/25/70/631212570.db2.gz CVBFDYJXEMLEHF-KPZWWZAWSA-N 1 0 319.376 3.098 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c1O ZINC000846157686 631212819 /nfs/dbraw/zinc/21/28/19/631212819.db2.gz OMKDBLXAOQGEMB-DYVFJYSZSA-N 1 0 312.413 3.238 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1O ZINC000846161989 631213008 /nfs/dbraw/zinc/21/30/08/631213008.db2.gz DOTKTIBTDPLGGI-ZBFHGGJFSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)CC2CCCCC2)c1O ZINC000846171160 631213454 /nfs/dbraw/zinc/21/34/54/631213454.db2.gz DUPIAPXUEUZNBC-ZFWWWQNUSA-N 1 0 307.434 3.383 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000846181558 631213763 /nfs/dbraw/zinc/21/37/63/631213763.db2.gz CFEARDPGCRTEHO-GEWABHDNSA-N 1 0 301.361 3.230 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846183450 631214058 /nfs/dbraw/zinc/21/40/58/631214058.db2.gz OKNBCNHSEDDZEW-JKDFXYPNSA-N 1 0 319.376 3.313 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1cc(F)ccc1O ZINC000846186541 631214209 /nfs/dbraw/zinc/21/42/09/631214209.db2.gz GXHFRWCPCPPBRF-ZJNRKIDTSA-N 1 0 303.377 3.478 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)c1O ZINC000846189841 631214373 /nfs/dbraw/zinc/21/43/73/631214373.db2.gz UTVMMAACLSXYJI-YVEFUNNKSA-N 1 0 305.418 3.257 20 10 DGCDRO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3c2O)CC1=O ZINC000846210001 631214991 /nfs/dbraw/zinc/21/49/91/631214991.db2.gz VFWNSIZUCXRGIQ-ZIAGYGMSSA-N 1 0 312.413 3.064 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c(O)c1 ZINC000846216017 631215225 /nfs/dbraw/zinc/21/52/25/631215225.db2.gz OVLCCZFHZOVROP-CZUORRHYSA-N 1 0 312.413 3.128 20 10 DGCDRO C[NH+](C)Cc1ccsc1C(=O)NCc1cc(Cl)ccc1O ZINC000846477389 631251494 /nfs/dbraw/zinc/25/14/94/631251494.db2.gz SOEHHKYLLMVPMX-UHFFFAOYSA-N 1 0 324.833 3.099 20 10 DGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)C)c1O ZINC000848515256 631673535 /nfs/dbraw/zinc/67/35/35/631673535.db2.gz WWFKCYZCENFNEG-SECBINFHSA-N 1 0 302.212 3.470 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)C[C@H]3CCCOC3)c2c1 ZINC000107671971 631679315 /nfs/dbraw/zinc/67/93/15/631679315.db2.gz FLOIEFJFLDALKZ-CQSZACIVSA-N 1 0 315.413 3.412 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1cncnc1C ZINC000848552953 631689850 /nfs/dbraw/zinc/68/98/50/631689850.db2.gz GTBAUIXLNMPTOR-GDBMZVCRSA-N 1 0 312.461 3.441 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000848559717 631692673 /nfs/dbraw/zinc/69/26/73/631692673.db2.gz YFQJHSAHRNCQMT-SDDRHHMPSA-N 1 0 316.367 3.402 20 10 DGCDRO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000848560153 631692693 /nfs/dbraw/zinc/69/26/93/631692693.db2.gz ZEJMOOOCXGBSQH-QFBILLFUSA-N 1 0 320.477 3.115 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3ccccc3NC2=O)cc1C ZINC000848560713 631692826 /nfs/dbraw/zinc/69/28/26/631692826.db2.gz JXBRKAWUGDIIJO-KRWDZBQOSA-N 1 0 310.397 3.052 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c1O ZINC000848560702 631692956 /nfs/dbraw/zinc/69/29/56/631692956.db2.gz QEBKDESEMIYJFF-WBVHZDCISA-N 1 0 305.418 3.228 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000848562368 631693949 /nfs/dbraw/zinc/69/39/49/631693949.db2.gz IOEMZUOUMAHQKQ-UONOGXRCSA-N 1 0 306.450 3.381 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000848566022 631694793 /nfs/dbraw/zinc/69/47/93/631694793.db2.gz PMZQNXPOMUJZMW-UAOJZALGSA-N 1 0 310.441 3.452 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000848565990 631694859 /nfs/dbraw/zinc/69/48/59/631694859.db2.gz OUUSVWCNUXQVFU-CYBMUJFWSA-N 1 0 323.433 3.104 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000848568143 631695694 /nfs/dbraw/zinc/69/56/94/631695694.db2.gz ZKEATWMGWUGNCX-KJBZUCPPSA-N 1 0 308.425 3.014 20 10 DGCDRO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000848573587 631698809 /nfs/dbraw/zinc/69/88/09/631698809.db2.gz WCEZKFWRQUGJNR-AWEZNQCLSA-N 1 0 313.397 3.267 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCOc2c(OC)cccc21 ZINC000848575187 631700122 /nfs/dbraw/zinc/70/01/22/631700122.db2.gz LOULBMAWZQBMLY-AWEZNQCLSA-N 1 0 315.369 3.023 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCC(F)(F)CC1 ZINC000848575264 631700247 /nfs/dbraw/zinc/70/02/47/631700247.db2.gz NJGWWLPCOGPOFL-SNVBAGLBSA-N 1 0 313.344 3.425 20 10 DGCDRO CCc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000848880771 631768316 /nfs/dbraw/zinc/76/83/16/631768316.db2.gz HYCZCHUZYCYCSL-UHFFFAOYSA-N 1 0 324.424 3.218 20 10 DGCDRO CCc1cccc(C[NH+]2CCN(c3nc(C)cs3)CC2)c1O ZINC000848882060 631769231 /nfs/dbraw/zinc/76/92/31/631769231.db2.gz WRNZZPGDEFUBGK-UHFFFAOYSA-N 1 0 317.458 3.042 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1O ZINC000848882611 631769680 /nfs/dbraw/zinc/76/96/80/631769680.db2.gz VVSUVURMRQKRHZ-HNNXBMFYSA-N 1 0 301.390 3.026 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1O ZINC000848890557 631772984 /nfs/dbraw/zinc/77/29/84/631772984.db2.gz RTXNZDDHXRFGKU-GFCCVEGCSA-N 1 0 316.367 3.023 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(N(C)CC(F)F)CC2)c1O ZINC000848889573 631773740 /nfs/dbraw/zinc/77/37/40/631773740.db2.gz MMOHHWJBRRTQPY-UHFFFAOYSA-N 1 0 312.404 3.116 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](c2ccsc2)N(C)C)c1O ZINC000848893218 631775545 /nfs/dbraw/zinc/77/55/45/631775545.db2.gz TVRFZHKDRFHWLG-INIZCTEOSA-N 1 0 304.459 3.409 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccccc2Cn2cccn2)c1O ZINC000848892557 631775565 /nfs/dbraw/zinc/77/55/65/631775565.db2.gz AJSYCELUNQZRPL-UHFFFAOYSA-N 1 0 321.424 3.489 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1O ZINC000848892690 631775818 /nfs/dbraw/zinc/77/58/18/631775818.db2.gz DXGXAKINLYMIQM-INIZCTEOSA-N 1 0 305.805 3.431 20 10 DGCDRO CCc1cccc(C[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1O ZINC000848894012 631775889 /nfs/dbraw/zinc/77/58/89/631775889.db2.gz DWPZHNGDKVAMSI-UHFFFAOYSA-N 1 0 318.461 3.081 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2nccn2CC(F)(F)F)c1O ZINC000848895893 631776805 /nfs/dbraw/zinc/77/68/05/631776805.db2.gz QYOLFLNXPSBDCF-UHFFFAOYSA-N 1 0 313.323 3.003 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2ccc(NC(C)=O)cc2)c1O ZINC000848896369 631777064 /nfs/dbraw/zinc/77/70/64/631777064.db2.gz ZPWIGUFUUQDPTO-UHFFFAOYSA-N 1 0 312.413 3.245 20 10 DGCDRO CCc1cccc(C[NH2+]CCOCc2ccc(OC)cc2)c1O ZINC000848899766 631778249 /nfs/dbraw/zinc/77/82/49/631778249.db2.gz JZGJUVLDQBIKQX-UHFFFAOYSA-N 1 0 315.413 3.270 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1O ZINC000848898610 631778289 /nfs/dbraw/zinc/77/82/89/631778289.db2.gz FLDRIXRGRKSTJO-KBAYOESNSA-N 1 0 301.430 3.392 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000848899547 631778539 /nfs/dbraw/zinc/77/85/39/631778539.db2.gz HOTKAOUKEXSXPA-INIZCTEOSA-N 1 0 305.805 3.431 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](CCOC)Cc2ccco2)c1O ZINC000848903015 631779594 /nfs/dbraw/zinc/77/95/94/631779594.db2.gz WYHYJWFAQJEMNJ-INIZCTEOSA-N 1 0 303.402 3.285 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000848901460 631780002 /nfs/dbraw/zinc/78/00/02/631780002.db2.gz SQBWVVFDTQBQFI-JTSKRJEESA-N 1 0 317.454 3.164 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)c1O ZINC000848905293 631780768 /nfs/dbraw/zinc/78/07/68/631780768.db2.gz GGHJGJPEXCQRGX-VXGBXAGGSA-N 1 0 302.422 3.437 20 10 DGCDRO CCc1cccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1O ZINC000848908679 631783197 /nfs/dbraw/zinc/78/31/97/631783197.db2.gz AUAYPMVJTBPTIP-HXUWFJFHSA-N 1 0 311.425 3.268 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000848913189 631783870 /nfs/dbraw/zinc/78/38/70/631783870.db2.gz QTWTURDMRXOKES-AZUAARDMSA-N 1 0 311.425 3.210 20 10 DGCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(CC)c1O ZINC000848911671 631784189 /nfs/dbraw/zinc/78/41/89/631784189.db2.gz XRDNYAAPNKZKNF-MRXNPFEDSA-N 1 0 320.433 3.055 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](CC)COCC(F)(F)F)c1O ZINC000848916247 631784991 /nfs/dbraw/zinc/78/49/91/631784991.db2.gz RHGUOTNAMWVLRB-CYBMUJFWSA-N 1 0 305.340 3.402 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000848915834 631785507 /nfs/dbraw/zinc/78/55/07/631785507.db2.gz MKJKXHXPXCVEFO-KZNAEPCWSA-N 1 0 303.446 3.470 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c1O ZINC000848917390 631786492 /nfs/dbraw/zinc/78/64/92/631786492.db2.gz FOTUASRWBVZNNP-QGZVFWFLSA-N 1 0 314.404 3.462 20 10 DGCDRO Cc1ccc(CNC(=[NH2+])NCc2ccc(N(C)C)cc2C)cc1 ZINC000849009249 631805854 /nfs/dbraw/zinc/80/58/54/631805854.db2.gz ONZYKIGCJGNLQA-UHFFFAOYSA-N 1 0 310.445 3.184 20 10 DGCDRO CN(c1ccc(CNC2=[NH+]CCCCN2)cc1)C1CCCCC1 ZINC000849216205 631857377 /nfs/dbraw/zinc/85/73/77/631857377.db2.gz ZAJJXPZJADQDEH-UHFFFAOYSA-N 1 0 314.477 3.285 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350532 631900494 /nfs/dbraw/zinc/90/04/94/631900494.db2.gz PHSNEZKGBNDTSC-AWEZNQCLSA-N 1 0 308.853 3.257 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)Cn2ccnc2)c(O)c(C(C)(C)C)c1 ZINC000850029947 632033719 /nfs/dbraw/zinc/03/37/19/632033719.db2.gz FRVSCMLEFWNLRE-CYBMUJFWSA-N 1 0 317.433 3.073 20 10 DGCDRO Cn1ncc(C2CCC2)c1C[NH2+]CCCSc1nccs1 ZINC000850142756 632064683 /nfs/dbraw/zinc/06/46/83/632064683.db2.gz AGTJNWSCGMFWHW-UHFFFAOYSA-N 1 0 322.503 3.416 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000850155608 632067584 /nfs/dbraw/zinc/06/75/84/632067584.db2.gz DOWLJLFTLOBSEU-ZFWWWQNUSA-N 1 0 321.461 3.339 20 10 DGCDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850157531 632067871 /nfs/dbraw/zinc/06/78/71/632067871.db2.gz HFIQXNYLAXGPST-UHFFFAOYSA-N 1 0 323.433 3.130 20 10 DGCDRO COc1cc(C[NH2+]CCOC2CCC2)c(O)c(C(C)(C)C)c1 ZINC000850165493 632069167 /nfs/dbraw/zinc/06/91/67/632069167.db2.gz HZUJCZAVYUCPQX-UHFFFAOYSA-N 1 0 307.434 3.357 20 10 DGCDRO COc1cc(C[NH2+]C2(CN(C)C)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850286063 632103504 /nfs/dbraw/zinc/10/35/04/632103504.db2.gz WKANBGNLHHHNQG-UHFFFAOYSA-N 1 0 320.477 3.272 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)CC(C)(C)O)c(O)c(C(C)(C)C)c1 ZINC000850315742 632111630 /nfs/dbraw/zinc/11/16/30/632111630.db2.gz KXUBMEAGIFLSAZ-GFCCVEGCSA-N 1 0 309.450 3.337 20 10 DGCDRO COc1cc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850311719 632111686 /nfs/dbraw/zinc/11/16/86/632111686.db2.gz ZJWVGISVZVBLDO-YJYMSZOUSA-N 1 0 321.461 3.339 20 10 DGCDRO CCc1cnc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000850347435 632120723 /nfs/dbraw/zinc/12/07/23/632120723.db2.gz SCUURELEYLITEF-ZDUSSCGKSA-N 1 0 317.458 3.083 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cncc(F)c3)C2)cc1 ZINC000850347333 632120798 /nfs/dbraw/zinc/12/07/98/632120798.db2.gz QJWXYMCDMPZMCL-BBRMVZONSA-N 1 0 315.392 3.159 20 10 DGCDRO COCC1CCC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850346757 632120986 /nfs/dbraw/zinc/12/09/86/632120986.db2.gz JAPIZVILJCUSMH-JCYILVPMSA-N 1 0 318.461 3.069 20 10 DGCDRO CCOc1ccc(C[NH2+]CC(C)(C)C(O)(CC)CC)c(O)c1 ZINC000850353857 632122621 /nfs/dbraw/zinc/12/26/21/632122621.db2.gz ODBCRVCPOKHOTC-UHFFFAOYSA-N 1 0 309.450 3.458 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000850362209 632125981 /nfs/dbraw/zinc/12/59/81/632125981.db2.gz JQMOLQSXTDKMHZ-LJQANCHMSA-N 1 0 314.429 3.239 20 10 DGCDRO COc1cccc(C[NH2+]CCc2cn(C)c3ccccc23)c1O ZINC000850379967 632133012 /nfs/dbraw/zinc/13/30/12/632133012.db2.gz LBYOXYCRAZQCHE-UHFFFAOYSA-N 1 0 310.397 3.225 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c(O)c1 ZINC000850381453 632133997 /nfs/dbraw/zinc/13/39/97/632133997.db2.gz FRENQPSHKAVLLX-MRXNPFEDSA-N 1 0 318.461 3.288 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c1O ZINC000850381891 632134307 /nfs/dbraw/zinc/13/43/07/632134307.db2.gz LBTSPZBRDBZPHC-INIZCTEOSA-N 1 0 318.461 3.288 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1C ZINC000850384223 632134919 /nfs/dbraw/zinc/13/49/19/632134919.db2.gz IRTGQBWIJROSIW-ROUUACIJSA-N 1 0 313.445 3.238 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)CN2CCC(C)CC2)c1O ZINC000850387660 632136129 /nfs/dbraw/zinc/13/61/29/632136129.db2.gz XHVRUIXRGFZLGA-HNNXBMFYSA-N 1 0 306.450 3.001 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000850404902 632141536 /nfs/dbraw/zinc/14/15/36/632141536.db2.gz VJRYQQXFCFYHKR-UHFFFAOYSA-N 1 0 305.752 3.076 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(CC(N)=O)CCCCC2)c(Cl)c1 ZINC000850413994 632145293 /nfs/dbraw/zinc/14/52/93/632145293.db2.gz WLODQGOUSMNOOZ-UHFFFAOYSA-N 1 0 324.852 3.270 20 10 DGCDRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850427300 632149176 /nfs/dbraw/zinc/14/91/76/632149176.db2.gz RKDKIEMKCVUTSI-QYZOEREBSA-N 1 0 314.473 3.438 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000850474320 632163643 /nfs/dbraw/zinc/16/36/43/632163643.db2.gz MAPBDKFONLYOIF-QAPCUYQASA-N 1 0 312.461 3.313 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CC(CF)(CF)C3)C2)cc1 ZINC000850475343 632164405 /nfs/dbraw/zinc/16/44/05/632164405.db2.gz ZILUFFSZZSEZOR-CQSZACIVSA-N 1 0 324.415 3.199 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CC(CF)(CF)C3)C2)cc1 ZINC000850475340 632164501 /nfs/dbraw/zinc/16/45/01/632164501.db2.gz ZILUFFSZZSEZOR-AWEZNQCLSA-N 1 0 324.415 3.199 20 10 DGCDRO CON(C)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000850481156 632165879 /nfs/dbraw/zinc/16/58/79/632165879.db2.gz YFDXLYRRLLPYLS-MRXNPFEDSA-N 1 0 305.466 3.211 20 10 DGCDRO C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(F)ccc1O ZINC000850485360 632167160 /nfs/dbraw/zinc/16/71/60/632167160.db2.gz GHNUQGZIPGADPL-QMMMGPOBSA-N 1 0 315.270 3.191 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CC3CCOCC3)C2)cc1 ZINC000850486170 632167469 /nfs/dbraw/zinc/16/74/69/632167469.db2.gz ABAAYYIZYIZAKD-NVXWUHKLSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C3CCSCC3)C2)cc1 ZINC000850486822 632167681 /nfs/dbraw/zinc/16/76/81/632167681.db2.gz DHBLNYXVFKTFAJ-GDBMZVCRSA-N 1 0 320.502 3.395 20 10 DGCDRO CC[C@@H]([NH2+]CC[C@H](COC)OC)c1cc(Cl)ccc1O ZINC000850486952 632167773 /nfs/dbraw/zinc/16/77/73/632167773.db2.gz WOXYOHPRDGSTRV-TZMCWYRMSA-N 1 0 301.814 3.138 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]C3CC(OC(C)(C)C)C3)C2)cc1 ZINC000850487545 632167937 /nfs/dbraw/zinc/16/79/37/632167937.db2.gz IBPOJXJHPWUKFF-SYJJWHGVSA-N 1 0 318.461 3.210 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)cc1 ZINC000850486507 632167941 /nfs/dbraw/zinc/16/79/41/632167941.db2.gz IFHIQMORYNPHCY-CRAIPNDOSA-N 1 0 324.424 3.257 20 10 DGCDRO COC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 ZINC000850489463 632168314 /nfs/dbraw/zinc/16/83/14/632168314.db2.gz USHXXSIDPCDGOY-LPHOPBHVSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cncc(C)c3)C2)cc1 ZINC000850488919 632168345 /nfs/dbraw/zinc/16/83/45/632168345.db2.gz PMMYDYJQYAPELR-RDJZCZTQSA-N 1 0 311.429 3.328 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CCc3ccco3)C2)cc1 ZINC000850489244 632168408 /nfs/dbraw/zinc/16/84/08/632168408.db2.gz SFVGLCYAFVKOFK-CVEARBPZSA-N 1 0 314.429 3.478 20 10 DGCDRO CC[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(C)cc1O ZINC000850496240 632171405 /nfs/dbraw/zinc/17/14/05/632171405.db2.gz MKUBLIKZUQCLGW-XUSGNXJCSA-N 1 0 323.380 3.052 20 10 DGCDRO CC[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(C)cc1O ZINC000850496239 632171628 /nfs/dbraw/zinc/17/16/28/632171628.db2.gz MKUBLIKZUQCLGW-QKVFXAPYSA-N 1 0 323.380 3.052 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c(O)c1C ZINC000850502775 632173544 /nfs/dbraw/zinc/17/35/44/632173544.db2.gz ZHIIKMTWJPDMJA-YOEHRIQHSA-N 1 0 324.424 3.247 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c(O)c1C ZINC000850502772 632173789 /nfs/dbraw/zinc/17/37/89/632173789.db2.gz ZHIIKMTWJPDMJA-PBHICJAKSA-N 1 0 324.424 3.247 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2)c1 ZINC000850537884 632185708 /nfs/dbraw/zinc/18/57/08/632185708.db2.gz AVRUUCKBDNQMQE-CABCVRRESA-N 1 0 318.461 3.458 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1 ZINC000850559231 632193617 /nfs/dbraw/zinc/19/36/17/632193617.db2.gz YFNNXGSRUWZDKS-LSDHHAIUSA-N 1 0 318.461 3.307 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)CC1 ZINC000850568526 632196500 /nfs/dbraw/zinc/19/65/00/632196500.db2.gz ZZXMIFDXIAXALC-SFHVURJKSA-N 1 0 300.446 3.070 20 10 DGCDRO C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000850580817 632200973 /nfs/dbraw/zinc/20/09/73/632200973.db2.gz BJVDWSQBVDSMTQ-GFCCVEGCSA-N 1 0 324.415 3.443 20 10 DGCDRO COc1ccc(OCCC[N@H+](C)Cc2ccccc2O)cc1 ZINC000109771598 632316778 /nfs/dbraw/zinc/31/67/78/632316778.db2.gz TZFVFSVCFLYRBH-UHFFFAOYSA-N 1 0 301.386 3.302 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)c2ccccn2)cc1 ZINC000851716295 632472857 /nfs/dbraw/zinc/47/28/57/632472857.db2.gz LPLSTBWRPOGRGM-IBGZPJMESA-N 1 0 313.445 3.093 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000851715690 632473236 /nfs/dbraw/zinc/47/32/36/632473236.db2.gz BAQLKAYUDBNONE-QRVBRYPASA-N 1 0 314.473 3.391 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000851900544 632518404 /nfs/dbraw/zinc/51/84/04/632518404.db2.gz VFZBMBZJVHJJBF-JTQLQIEISA-N 1 0 320.320 3.299 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)ccc1N1CCCCC1 ZINC000852536475 632619732 /nfs/dbraw/zinc/61/97/32/632619732.db2.gz VAQPZZFUQVHIAS-AZUAARDMSA-N 1 0 314.473 3.454 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N2CCCCC2)c1 ZINC000184847682 660190896 /nfs/dbraw/zinc/19/08/96/660190896.db2.gz DKLLEJZDTMRGMA-CQSZACIVSA-N 1 0 306.450 3.316 20 10 DGCDRO COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)C2 ZINC000185334366 660216530 /nfs/dbraw/zinc/21/65/30/660216530.db2.gz VJKVZGUUPHSAMH-UKRRQHHQSA-N 1 0 313.397 3.364 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2sc(C)nc2C)c1 ZINC000185402780 660221776 /nfs/dbraw/zinc/22/17/76/660221776.db2.gz GYBHXOAAEWXVSC-JTQLQIEISA-N 1 0 306.431 3.367 20 10 DGCDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185530444 660227268 /nfs/dbraw/zinc/22/72/68/660227268.db2.gz HYHNYFONJJPOPT-TZMCWYRMSA-N 1 0 305.443 3.310 20 10 DGCDRO CCCC(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000997475749 660329042 /nfs/dbraw/zinc/32/90/42/660329042.db2.gz RWKFUYCEOAQZBH-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO COc1cc(Br)cc(C[N@H+](C)[C@H](C)C2CC2)c1O ZINC000158030485 661869521 /nfs/dbraw/zinc/86/95/21/661869521.db2.gz LUVKIWFGWCDTPW-SECBINFHSA-N 1 0 314.223 3.394 20 10 DGCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000186752245 660573153 /nfs/dbraw/zinc/57/31/53/660573153.db2.gz QLZDIYUIRKVCDL-KGLIPLIRSA-N 1 0 320.433 3.218 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1O ZINC000186750571 660573260 /nfs/dbraw/zinc/57/32/60/660573260.db2.gz BKRQDCHWJYWJSA-CZUORRHYSA-N 1 0 320.433 3.300 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]CC1SCCS1 ZINC000703113197 660762635 /nfs/dbraw/zinc/76/26/35/660762635.db2.gz PETQFEJOGRJPPD-UHFFFAOYSA-N 1 0 320.277 3.050 20 10 DGCDRO CC[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001034864065 660799501 /nfs/dbraw/zinc/79/95/01/660799501.db2.gz SRQFCUKPTJQIGV-WMLDXEAASA-N 1 0 318.461 3.130 20 10 DGCDRO CCC[C@@H](C[NH2+]Cc1cc(Br)ccc1O)OCC ZINC000705288705 660836946 /nfs/dbraw/zinc/83/69/46/660836946.db2.gz AMNULFYHXKLKKH-ZDUSSCGKSA-N 1 0 316.239 3.450 20 10 DGCDRO Cc1ncccc1C[NH2+]Cc1cc(Br)ccc1O ZINC000705560660 660837828 /nfs/dbraw/zinc/83/78/28/660837828.db2.gz CWMDCYNVHSLBSR-UHFFFAOYSA-N 1 0 307.191 3.148 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@H](OC)C1)c1cc(Br)ccc1O ZINC000706545270 660864957 /nfs/dbraw/zinc/86/49/57/660864957.db2.gz HBDRIIQTLLBZAZ-GVXVVHGQSA-N 1 0 314.223 3.373 20 10 DGCDRO Cc1ncsc1C[NH2+]Cc1c(O)cccc1Br ZINC000706821513 660873724 /nfs/dbraw/zinc/87/37/24/660873724.db2.gz IHJBKBKDEZKXCE-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO CC[N@@H+](Cc1c(O)cccc1Br)C[C@H](C)OC ZINC000707171882 660892625 /nfs/dbraw/zinc/89/26/25/660892625.db2.gz NTKNNTAVLOVIKI-JTQLQIEISA-N 1 0 302.212 3.012 20 10 DGCDRO CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001036477204 660910063 /nfs/dbraw/zinc/91/00/63/660910063.db2.gz LAZFIZAFCCYHNO-PBHICJAKSA-N 1 0 318.461 3.130 20 10 DGCDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccccc2O)CCCC1 ZINC000711053578 660939270 /nfs/dbraw/zinc/93/92/70/660939270.db2.gz VIXMJOQGHWMNHK-UHFFFAOYSA-N 1 0 320.433 3.319 20 10 DGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000792920759 660993865 /nfs/dbraw/zinc/99/38/65/660993865.db2.gz BEIPPEOGCYKGRM-AEFFLSMTSA-N 1 0 320.502 3.287 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@@H]1C ZINC000792977620 660998194 /nfs/dbraw/zinc/99/81/94/660998194.db2.gz MMRXBNAEWWNXAE-VKJFTORMSA-N 1 0 318.461 3.128 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)C2CC2)c(C(F)(F)F)c1 ZINC000792976148 660998200 /nfs/dbraw/zinc/99/82/00/660998200.db2.gz PGLPLJOKDZJAAW-OAHLLOKOSA-N 1 0 316.367 3.022 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCCO2)c(C(F)(F)F)c1 ZINC000793015036 661000398 /nfs/dbraw/zinc/00/03/98/661000398.db2.gz BTBDZUFRQQUJHZ-OAHLLOKOSA-N 1 0 316.367 3.430 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC000793022544 661000862 /nfs/dbraw/zinc/00/08/62/661000862.db2.gz QLOZBADIFAYOAT-OAHLLOKOSA-N 1 0 316.367 3.286 20 10 DGCDRO CCC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H](O)c1ccccc1 ZINC000793241287 661016937 /nfs/dbraw/zinc/01/69/37/661016937.db2.gz ODEJTUIHBWTTLQ-FUHWJXTLSA-N 1 0 315.413 3.393 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ncccc2C(F)(F)F)c(O)c1 ZINC000793387321 661029364 /nfs/dbraw/zinc/02/93/64/661029364.db2.gz DATMOQYEADMDIB-UHFFFAOYSA-N 1 0 312.291 3.104 20 10 DGCDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000793604336 661049498 /nfs/dbraw/zinc/04/94/98/661049498.db2.gz FUOIECDEDZEGCN-AWEZNQCLSA-N 1 0 321.465 3.146 20 10 DGCDRO C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@@H+](C2CCC2)C1 ZINC000795119575 661127618 /nfs/dbraw/zinc/12/76/18/661127618.db2.gz GEIAUQJGAIRJHT-INIZCTEOSA-N 1 0 301.478 3.059 20 10 DGCDRO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697244 661168228 /nfs/dbraw/zinc/16/82/28/661168228.db2.gz CAJNXWKHSXNFNK-BEFAXECRSA-N 1 0 314.473 3.330 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1c(O)ccc2ccccc21)C1CC1 ZINC000065187780 655676332 /nfs/dbraw/zinc/67/63/32/655676332.db2.gz RSSQZWLRHPRDKM-UHFFFAOYSA-N 1 0 313.397 3.463 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CC(=O)NC)c1ccccc1)c1ccccc1O ZINC000795849701 661175938 /nfs/dbraw/zinc/17/59/38/661175938.db2.gz QCSJXJNRQWSBJS-IAGOWNOFSA-N 1 0 312.413 3.310 20 10 DGCDRO CCCN(CC1CCC2(CC1)OCCO2)c1ccc(C[NH3+])cc1 ZINC000795981507 661183040 /nfs/dbraw/zinc/18/30/40/661183040.db2.gz NHXBEWYVMJBBMI-UHFFFAOYSA-N 1 0 318.461 3.295 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000798004297 661187086 /nfs/dbraw/zinc/18/70/86/661187086.db2.gz VPIWHIZSTGLSJB-WZRBSPASSA-N 1 0 311.809 3.428 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2ccccc2O)CC[N@H+](Cc2ccccc2)C1 ZINC000309702076 655876604 /nfs/dbraw/zinc/87/66/04/655876604.db2.gz GMWKUDZUZGXKLJ-FQEVSTJZSA-N 1 0 310.441 3.394 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1cc(F)ccc1O ZINC000716181094 661219540 /nfs/dbraw/zinc/21/95/40/661219540.db2.gz XSBMPXXFEYFZSO-PBHICJAKSA-N 1 0 314.404 3.456 20 10 DGCDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)s1 ZINC000182436231 656105747 /nfs/dbraw/zinc/10/57/47/656105747.db2.gz VRIDIGAFHMUUSZ-SNVBAGLBSA-N 1 0 321.398 3.100 20 10 DGCDRO CC1(C)CC[C@@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)O1 ZINC000184669569 656120549 /nfs/dbraw/zinc/12/05/49/656120549.db2.gz JSVVYAQRKGQHRZ-IRXDYDNUSA-N 1 0 319.445 3.331 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)c1 ZINC000185227428 656124807 /nfs/dbraw/zinc/12/48/07/656124807.db2.gz CZFALPPDSJLXRN-CABCVRRESA-N 1 0 306.450 3.172 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)c1 ZINC000185227448 656125013 /nfs/dbraw/zinc/12/50/13/656125013.db2.gz CZFALPPDSJLXRN-LSDHHAIUSA-N 1 0 306.450 3.172 20 10 DGCDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000185581881 656127828 /nfs/dbraw/zinc/12/78/28/656127828.db2.gz ZVQTZVQPFJQYLK-KRWDZBQOSA-N 1 0 318.461 3.306 20 10 DGCDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000186426608 656131429 /nfs/dbraw/zinc/13/14/29/656131429.db2.gz VZKSYQBNTJJXGU-UHFFFAOYSA-N 1 0 313.376 3.443 20 10 DGCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(OC)ccc1O ZINC000187993086 656142901 /nfs/dbraw/zinc/14/29/01/656142901.db2.gz VUBOXXSUQRKYPN-KRWDZBQOSA-N 1 0 315.413 3.090 20 10 DGCDRO C[C@@H]([NH2+]CCCOC(F)F)c1ccc(Br)cc1O ZINC000194034887 656197049 /nfs/dbraw/zinc/19/70/49/656197049.db2.gz HQJWDTFGDGSDQA-MRVPVSSYSA-N 1 0 324.165 3.435 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)cc1 ZINC000093538225 656358151 /nfs/dbraw/zinc/35/81/51/656358151.db2.gz DWYRDGWXEOIIRC-UHFFFAOYSA-N 1 0 321.465 3.099 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000724912011 656529728 /nfs/dbraw/zinc/52/97/28/656529728.db2.gz GWYOWXFCOZZJSA-UONOGXRCSA-N 1 0 320.433 3.361 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000724925215 656530450 /nfs/dbraw/zinc/53/04/50/656530450.db2.gz JUODFVNZULHSHF-WCQYABFASA-N 1 0 324.396 3.191 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccoc1 ZINC000178536532 656679810 /nfs/dbraw/zinc/67/98/10/656679810.db2.gz OMDOBFSDBLMOCE-ZDUSSCGKSA-N 1 0 318.392 3.231 20 10 DGCDRO CN(C)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000318134195 656721059 /nfs/dbraw/zinc/72/10/59/656721059.db2.gz NUKKJWDXLSEYBQ-UHFFFAOYSA-N 1 0 301.478 3.251 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)C)[C@H](C)C2)cc1C ZINC001044472369 656928483 /nfs/dbraw/zinc/92/84/83/656928483.db2.gz URKHBPDQWSAONC-WBVHZDCISA-N 1 0 318.461 3.129 20 10 DGCDRO C/C=C(\C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001044986755 656988162 /nfs/dbraw/zinc/98/81/62/656988162.db2.gz SEESYWZKVSGWDA-ANQFXYINSA-N 1 0 316.445 3.050 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)c1O ZINC000236939786 656993335 /nfs/dbraw/zinc/99/33/35/656993335.db2.gz LTAJYMVNPMWJKJ-DNVCBOLYSA-N 1 0 320.477 3.391 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(N(C)C)CCC[C@H](C)C2)c1 ZINC000237204541 657378317 /nfs/dbraw/zinc/37/83/17/657378317.db2.gz SIHNIWUFIYAEQH-KBXCAEBGSA-N 1 0 306.450 3.001 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(N2CCCCC2)cc1 ZINC000249839729 657434630 /nfs/dbraw/zinc/43/46/30/657434630.db2.gz FUBFMVSMGVPDDH-JCGIZDLHSA-N 1 0 302.462 3.487 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000303268031 657525720 /nfs/dbraw/zinc/52/57/20/657525720.db2.gz FVYOKSWSBHEVBD-YOEHRIQHSA-N 1 0 314.404 3.456 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000305147850 657687655 /nfs/dbraw/zinc/68/76/55/657687655.db2.gz SLGAQVYBIJHBOF-FQEVSTJZSA-N 1 0 316.489 3.420 20 10 DGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCCO1 ZINC000097989738 657700305 /nfs/dbraw/zinc/70/03/05/657700305.db2.gz FDSNHXARGUSYDT-CYBMUJFWSA-N 1 0 314.223 3.156 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C=C(C)C)[C@@H]2C)cc1C ZINC000985919221 657921764 /nfs/dbraw/zinc/92/17/64/657921764.db2.gz CLRMCYOZBIXQLH-NVXWUHKLSA-N 1 0 316.445 3.049 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](CC(C)C)N(C)C)c1O ZINC000228670794 657999977 /nfs/dbraw/zinc/99/99/77/657999977.db2.gz GVHCRESQXOAZSE-AWEZNQCLSA-N 1 0 314.857 3.120 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2F)c1 ZINC000305767938 658039470 /nfs/dbraw/zinc/03/94/70/658039470.db2.gz IHBJKBGYBRQLOR-BMLIUANNSA-N 1 0 323.339 3.063 20 10 DGCDRO COc1ccc2ccc(O)c(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000016075997 658303051 /nfs/dbraw/zinc/30/30/51/658303051.db2.gz UDKJLTDJDPJWGG-STQMWFEESA-N 1 0 301.386 3.163 20 10 DGCDRO CC[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000163500261 658468013 /nfs/dbraw/zinc/46/80/13/658468013.db2.gz NQXQEAPVISPTDF-RTBURBONSA-N 1 0 320.477 3.379 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C(C)C ZINC000163621508 658882461 /nfs/dbraw/zinc/88/24/61/658882461.db2.gz ZJFHCQSMWXPSTH-QGZVFWFLSA-N 1 0 308.491 3.000 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CCOC1 ZINC000163622097 658882889 /nfs/dbraw/zinc/88/28/89/658882889.db2.gz XCOXOQSGRFMOFT-FUHWJXTLSA-N 1 0 320.502 3.145 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000163999244 658912030 /nfs/dbraw/zinc/91/20/30/658912030.db2.gz ATWNCUZGQYSBSZ-UHFFFAOYSA-N 1 0 317.433 3.064 20 10 DGCDRO COCCC[N@H+](Cc1ccncc1)Cc1cc(C)cc(C)c1O ZINC000164304877 658929153 /nfs/dbraw/zinc/92/91/53/658929153.db2.gz WTPZQOSJIAEXMO-UHFFFAOYSA-N 1 0 314.429 3.443 20 10 DGCDRO COc1cc(C[N@H+](C)C[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000164460834 658934993 /nfs/dbraw/zinc/93/49/93/658934993.db2.gz HFNZUVZDDNPUDK-CYBMUJFWSA-N 1 0 307.434 3.167 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000164487182 658936793 /nfs/dbraw/zinc/93/67/93/658936793.db2.gz AWGLHJYAMFVVBE-UHFFFAOYSA-N 1 0 302.443 3.393 20 10 DGCDRO COc1cccc(C[NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)c1O ZINC000058066194 659049539 /nfs/dbraw/zinc/04/95/39/659049539.db2.gz SAKNMWJWPDWXBE-KSSFIOAISA-N 1 0 306.450 3.001 20 10 DGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1(C)C ZINC000227831991 659165217 /nfs/dbraw/zinc/16/52/17/659165217.db2.gz SUQBGVBVDSLBRQ-CHWSQXEVSA-N 1 0 314.223 3.058 20 10 DGCDRO [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC000228535415 659194433 /nfs/dbraw/zinc/19/44/33/659194433.db2.gz KPPIOEMCUDJPDM-GAJTVXKRSA-N 1 0 315.244 3.258 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCO[C@H](C)C3)c2c1 ZINC000172494737 659341254 /nfs/dbraw/zinc/34/12/54/659341254.db2.gz CWMQUCAKARQABY-CYBMUJFWSA-N 1 0 301.386 3.165 20 10 DGCDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000237579701 659930509 /nfs/dbraw/zinc/93/05/09/659930509.db2.gz SNMPYSPHILWCAZ-UHFFFAOYSA-N 1 0 319.836 3.215 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000179574432 659933443 /nfs/dbraw/zinc/93/34/43/659933443.db2.gz KILPYDIEGXBXFU-QGZVFWFLSA-N 1 0 310.397 3.020 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)CCOc2cccc(C)c2)c1 ZINC000179620802 659935917 /nfs/dbraw/zinc/93/59/17/659935917.db2.gz QWLIXRJPWSYIBX-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO C[C@H]1CCC[C@](C[NH2+]Cc2ccc3c(c2)CCO3)(N(C)C)C1 ZINC000237702138 659937017 /nfs/dbraw/zinc/93/70/17/659937017.db2.gz MZGNJJGDOXKLQM-KXBFYZLASA-N 1 0 302.462 3.222 20 10 DGCDRO CCOc1ccc(O)c(CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000179771788 659941141 /nfs/dbraw/zinc/94/11/41/659941141.db2.gz BUEWLZFJIGYULH-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO COc1ccc(OCC[N@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000179887331 659945596 /nfs/dbraw/zinc/94/55/96/659945596.db2.gz KUXFHODQXGETMG-UHFFFAOYSA-N 1 0 305.349 3.051 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C13CC4CC(CC(C4)C1)C3)OCO2 ZINC000238123171 659959226 /nfs/dbraw/zinc/95/92/26/659959226.db2.gz KTVZZPRHQZXMKU-UHFFFAOYSA-N 1 0 301.386 3.179 20 10 DGCDRO [NH3+]CCC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000070183605 660040914 /nfs/dbraw/zinc/04/09/14/660040914.db2.gz UURNXVQBLXBQNS-UHFFFAOYSA-N 1 0 303.233 3.260 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCCn2cccn2)c1 ZINC000182412478 660051899 /nfs/dbraw/zinc/05/18/99/660051899.db2.gz LVXAQKKUIDODMD-AWEZNQCLSA-N 1 0 303.406 3.118 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c1 ZINC000182413574 660052319 /nfs/dbraw/zinc/05/23/19/660052319.db2.gz FSKOYQCTCAJJDP-LBPRGKRZSA-N 1 0 309.406 3.173 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000183209542 660104353 /nfs/dbraw/zinc/10/43/53/660104353.db2.gz HAEKMBQBTFCRDG-QGZVFWFLSA-N 1 0 317.360 3.193 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCc2ccccc2C1 ZINC000183455708 660113693 /nfs/dbraw/zinc/11/36/93/660113693.db2.gz NVHOTRRHDOFQAY-HOTGVXAUSA-N 1 0 310.441 3.490 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000183511399 660121049 /nfs/dbraw/zinc/12/10/49/660121049.db2.gz ZTTMKZAPVBBZKB-OLZOCXBDSA-N 1 0 306.406 3.052 20 10 DGCDRO Oc1ccccc1C[N@H+](C[C@H]1CCC2(COC2)O1)C1CCCC1 ZINC000929635515 661322847 /nfs/dbraw/zinc/32/28/47/661322847.db2.gz NIUXIVMXHJWPOF-QGZVFWFLSA-N 1 0 317.429 3.085 20 10 DGCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCC2(COC2)O1)C1CCCC1 ZINC000929635514 661322988 /nfs/dbraw/zinc/32/29/88/661322988.db2.gz NIUXIVMXHJWPOF-KRWDZBQOSA-N 1 0 317.429 3.085 20 10 DGCDRO c1cc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)ccn1 ZINC000930112583 661367256 /nfs/dbraw/zinc/36/72/56/661367256.db2.gz XZOPMVRPPCVMMB-UHFFFAOYSA-N 1 0 323.440 3.083 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCSc2ccncc2)c1 ZINC000930214299 661378611 /nfs/dbraw/zinc/37/86/11/661378611.db2.gz NETWVIIQTSTOKY-LBPRGKRZSA-N 1 0 304.415 3.239 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000930216387 661379163 /nfs/dbraw/zinc/37/91/63/661379163.db2.gz GRRCVWFUAJSRLU-VNHYZAJKSA-N 1 0 321.417 3.031 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000933999880 661672499 /nfs/dbraw/zinc/67/24/99/661672499.db2.gz ZQGNBUCZLBCZQS-UHFFFAOYSA-N 1 0 324.424 3.303 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cncs1 ZINC000155303661 661844873 /nfs/dbraw/zinc/84/48/73/661844873.db2.gz KMENGOQLUMQJMJ-KBPBESRZSA-N 1 0 317.458 3.392 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCc3c(F)cccc3C2)c1O ZINC000156971670 661865552 /nfs/dbraw/zinc/86/55/52/661865552.db2.gz JMYSGMOSULGDTR-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000159062236 661882400 /nfs/dbraw/zinc/88/24/00/661882400.db2.gz XKTGQWQBWKAIMD-UHFFFAOYSA-N 1 0 322.424 3.057 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(OC)c(C)cc2O)cc1 ZINC000159479480 661889121 /nfs/dbraw/zinc/88/91/21/661889121.db2.gz FPBJLXUIUAMPFS-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cccc(Br)c2)c1O ZINC000048817679 661895791 /nfs/dbraw/zinc/89/57/91/661895791.db2.gz KFBXDPWBRVONLA-UHFFFAOYSA-N 1 0 322.202 3.453 20 10 DGCDRO Fc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1 ZINC000188994970 661957877 /nfs/dbraw/zinc/95/78/77/661957877.db2.gz RLNKAJCYAQUOPE-UHFFFAOYSA-N 1 0 317.433 3.064 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000190038317 662003220 /nfs/dbraw/zinc/00/32/20/662003220.db2.gz HJBWEDGEACTLQP-KGLIPLIRSA-N 1 0 321.465 3.316 20 10 DGCDRO CCc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000077901773 662044744 /nfs/dbraw/zinc/04/47/44/662044744.db2.gz FTYJSXLJSDSCEQ-UHFFFAOYSA-N 1 0 310.441 3.375 20 10 DGCDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000083475289 662195305 /nfs/dbraw/zinc/19/53/05/662195305.db2.gz FBGVUBPGSBXEBM-UHFFFAOYSA-N 1 0 320.433 3.014 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000085324840 662207489 /nfs/dbraw/zinc/20/74/89/662207489.db2.gz RJTLZBVZSAFONN-QFIPXVFZSA-N 1 0 316.470 3.088 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245554151 662236172 /nfs/dbraw/zinc/23/61/72/662236172.db2.gz GQXMMVGSWMXUHF-IEBWSBKVSA-N 1 0 300.446 3.288 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCOC2CCOCC2)cc1 ZINC000090083874 662252984 /nfs/dbraw/zinc/25/29/84/662252984.db2.gz ICVMBHWEWFHFIR-INIZCTEOSA-N 1 0 320.477 3.379 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1C(C)C ZINC000246309951 662253620 /nfs/dbraw/zinc/25/36/20/662253620.db2.gz WDOPFTUDKPAHKX-RTBURBONSA-N 1 0 319.445 3.204 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H](O)Cc1ccccc1 ZINC000246463132 662260355 /nfs/dbraw/zinc/26/03/55/662260355.db2.gz PZMFVWRQQKRFOC-YRNRMSPPSA-N 1 0 312.457 3.395 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000247247979 662304909 /nfs/dbraw/zinc/30/49/09/662304909.db2.gz YCQVJQZHXWGCFM-HLLBOEOZSA-N 1 0 301.478 3.419 20 10 DGCDRO CC(=O)OC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093453764 662355214 /nfs/dbraw/zinc/35/52/14/662355214.db2.gz MXTYARONXNCZPG-UHFFFAOYSA-N 1 0 316.445 3.204 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683576 662358218 /nfs/dbraw/zinc/35/82/18/662358218.db2.gz DLXIXOVNXNLOAW-AWEZNQCLSA-N 1 0 308.853 3.353 20 10 DGCDRO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(Cl)ccc1O ZINC000093712258 662358866 /nfs/dbraw/zinc/35/88/66/662358866.db2.gz CMTSFWDMPCKCLR-OAQYLSRUSA-N 1 0 323.845 3.415 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000093712977 662358993 /nfs/dbraw/zinc/35/89/93/662358993.db2.gz DCEJCGDTHFPRFB-NRFANRHFSA-N 1 0 303.427 3.070 20 10 DGCDRO CC[N@H+](Cc1c[nH]nc1C)Cc1cc(Br)ccc1O ZINC000093866986 662360352 /nfs/dbraw/zinc/36/03/52/662360352.db2.gz COCRJOUHSODIDE-UHFFFAOYSA-N 1 0 324.222 3.208 20 10 DGCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCS1 ZINC000093869195 662360733 /nfs/dbraw/zinc/36/07/33/662360733.db2.gz OKZDYJALWNHTNW-SFHVURJKSA-N 1 0 320.502 3.097 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)OC ZINC000381338134 685156703 /nfs/dbraw/zinc/15/67/03/685156703.db2.gz AXGTXBWHFDFFIO-IINYFYTJSA-N 1 0 301.814 3.205 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H]1CCCOC1 ZINC000389098031 685192709 /nfs/dbraw/zinc/19/27/09/685192709.db2.gz RCHFZDYDJLMFBQ-MNOVXSKESA-N 1 0 314.223 3.059 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000390409094 685201468 /nfs/dbraw/zinc/20/14/68/685201468.db2.gz DWBWNGGWGJGWSN-SFHVURJKSA-N 1 0 319.408 3.414 20 10 DGCDRO FC1(F)CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000390552467 685203138 /nfs/dbraw/zinc/20/31/38/685203138.db2.gz KMSJCLJDMDFPLX-HNNXBMFYSA-N 1 0 310.388 3.048 20 10 DGCDRO C[C@@H]1CSc2ccccc2N(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC001576862083 1191870980 /nfs/dbraw/zinc/87/09/80/1191870980.db2.gz KFZRTLSSSHTGIQ-JJGIJDNGSA-N 1 0 316.470 3.317 20 10 DGCDRO CC[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)(C)C ZINC001577041436 1191881761 /nfs/dbraw/zinc/88/17/61/1191881761.db2.gz LPVIEINLBMBYLK-WBVHZDCISA-N 1 0 319.493 3.331 20 10 DGCDRO Cc1cc(C[NH2+][C@H]2CCOCC23CCCC3)ccc1N(C)C ZINC001620676964 1192061727 /nfs/dbraw/zinc/06/17/27/1192061727.db2.gz HOQJYZOJTQVWNO-SFHVURJKSA-N 1 0 302.462 3.500 20 10 DGCDRO C(=C\c1ccccc1)\C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001620746764 1192081903 /nfs/dbraw/zinc/08/19/03/1192081903.db2.gz ZOGKPPQBRUFSDQ-DAXSKMNVSA-N 1 0 308.425 3.326 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCCOC2CCOCC2)cc1 ZINC001620811876 1192105965 /nfs/dbraw/zinc/10/59/65/1192105965.db2.gz MRINASCCZQBLQU-UHFFFAOYSA-N 1 0 320.477 3.208 20 10 DGCDRO Cc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000224795897 1176545418 /nfs/dbraw/zinc/54/54/18/1176545418.db2.gz VPRACKGSKSCJCF-UHFFFAOYSA-N 1 0 320.433 3.190 20 10 DGCDRO CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@H](O)C(F)(F)F ZINC001178369985 1177794617 /nfs/dbraw/zinc/79/46/17/1177794617.db2.gz SEHMJZDBWHIEHH-WFASDCNBSA-N 1 0 314.351 3.278 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC001331382486 1178199734 /nfs/dbraw/zinc/19/97/34/1178199734.db2.gz LAQRSANQEFQPKX-LGSVPQMISA-N 1 0 311.372 3.387 20 10 DGCDRO COc1ccc(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)cn1 ZINC001331531895 1178237142 /nfs/dbraw/zinc/23/71/42/1178237142.db2.gz JAWSWKZZWDVEIV-HIFRSBDPSA-N 1 0 312.413 3.485 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)cc1Cn1cccn1 ZINC001332314619 1178417076 /nfs/dbraw/zinc/41/70/76/1178417076.db2.gz ZULPUVHKGGAPSY-IRXDYDNUSA-N 1 0 317.408 3.310 20 10 DGCDRO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC001333309840 1178586336 /nfs/dbraw/zinc/58/63/36/1178586336.db2.gz AJPFBUOHMYCPMZ-CQSZACIVSA-N 1 0 303.324 3.162 20 10 DGCDRO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001333782304 1178673070 /nfs/dbraw/zinc/67/30/70/1178673070.db2.gz UYXZXJKUEPZFMV-SFHVURJKSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1ccc(C[NH2+]C2(Cc3ccccc3)CC2)c(O)c1OC ZINC001334216915 1178736588 /nfs/dbraw/zinc/73/65/88/1178736588.db2.gz HBWHLTXTDHRXFR-UHFFFAOYSA-N 1 0 313.397 3.274 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C2(C3CC3)CCOCC2)cc1F ZINC001335155942 1178863387 /nfs/dbraw/zinc/86/33/87/1178863387.db2.gz KFNXYYGROJZVIA-UHFFFAOYSA-N 1 0 310.388 3.080 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)c2ccc(F)cc2)c(O)c1OC ZINC001335440418 1178910316 /nfs/dbraw/zinc/91/03/16/1178910316.db2.gz DAOFKKWBPKYJSL-LBPRGKRZSA-N 1 0 319.376 3.442 20 10 DGCDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001335505667 1178922664 /nfs/dbraw/zinc/92/26/64/1178922664.db2.gz DQRIFHBHURGYLG-GOSISDBHSA-N 1 0 324.472 3.400 20 10 DGCDRO C[C@@H](NC(=O)CCCCC1CC[NH2+]CC1)c1ccccc1O ZINC001342405936 1179137776 /nfs/dbraw/zinc/13/77/76/1179137776.db2.gz PZAVWRUJUZTFCQ-CQSZACIVSA-N 1 0 304.434 3.129 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCOC1CCOCC1 ZINC001342407959 1179139176 /nfs/dbraw/zinc/13/91/76/1179139176.db2.gz KVBGZHYUFAHFFO-GDBMZVCRSA-N 1 0 319.445 3.424 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H](C2CC2)O1 ZINC001344378771 1179423306 /nfs/dbraw/zinc/42/33/06/1179423306.db2.gz VNAFIBIGFBOXDB-DNVCBOLYSA-N 1 0 300.446 3.286 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)CCC(C)C)CC2)cc1 ZINC001344438602 1179433141 /nfs/dbraw/zinc/43/31/41/1179433141.db2.gz FTBDNTJEWNBWRB-GOSISDBHSA-N 1 0 320.477 3.004 20 10 DGCDRO Nc1ccc(C[NH+]2CCC(C(=O)c3cccs3)CC2)cc1 ZINC001345160155 1179535813 /nfs/dbraw/zinc/53/58/13/1179535813.db2.gz SMPPZPAXSZUKHV-UHFFFAOYSA-N 1 0 300.427 3.425 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N)cc1)c1cccc(N2CCCC2=O)c1 ZINC001345160152 1179535827 /nfs/dbraw/zinc/53/58/27/1179535827.db2.gz SKCDDBFKZJNIDO-AWEZNQCLSA-N 1 0 309.413 3.246 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349325764 1179893985 /nfs/dbraw/zinc/89/39/85/1179893985.db2.gz QDYDKIVSRUVTEY-UHFFFAOYSA-N 1 0 312.816 3.150 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c(O)c1OC ZINC001351948521 1180266397 /nfs/dbraw/zinc/26/63/97/1180266397.db2.gz MWYCGVVEMFCRQO-KBPBESRZSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c(O)c1OC ZINC001351948530 1180267307 /nfs/dbraw/zinc/26/73/07/1180267307.db2.gz MWYCGVVEMFCRQO-UONOGXRCSA-N 1 0 305.418 3.422 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2Cc3ccccc3O2)cc1 ZINC001200161902 1180418478 /nfs/dbraw/zinc/41/84/78/1180418478.db2.gz QXKGMEFZYAZOPK-VOFKWLDRSA-N 1 0 308.425 3.359 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)cc1F ZINC001200703201 1180837524 /nfs/dbraw/zinc/83/75/24/1180837524.db2.gz LRTNSWBLRFEKJE-ZDUSSCGKSA-N 1 0 304.413 3.256 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC001459354818 1182581664 /nfs/dbraw/zinc/58/16/64/1182581664.db2.gz WXTJOFFMVFBWLA-QFBILLFUSA-N 1 0 302.462 3.268 20 10 DGCDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C ZINC001459872893 1182625695 /nfs/dbraw/zinc/62/56/95/1182625695.db2.gz IJZZIMXNXGNTCS-NEPJUHHUSA-N 1 0 324.852 3.163 20 10 DGCDRO CO[C@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC001460103639 1182651489 /nfs/dbraw/zinc/65/14/89/1182651489.db2.gz FRIPWGHJKNUEMS-ROUUACIJSA-N 1 0 302.462 3.450 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CC3(CCC3)CO2)cc1 ZINC001460335009 1182678469 /nfs/dbraw/zinc/67/84/69/1182678469.db2.gz LPXORLUEISRJGZ-SFHVURJKSA-N 1 0 318.461 3.022 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cn3ccsc3n2)cc1 ZINC001461118081 1182770792 /nfs/dbraw/zinc/77/07/92/1182770792.db2.gz VROFCCUCWSRJBO-ONEGZZNKSA-N 1 0 312.442 3.265 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1COC3(CCCCC3)O1)CCCO2 ZINC001461376580 1182802643 /nfs/dbraw/zinc/80/26/43/1182802643.db2.gz IZWZPYZWEQJBGL-QGZVFWFLSA-N 1 0 317.429 3.177 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001461436000 1182815077 /nfs/dbraw/zinc/81/50/77/1182815077.db2.gz BUXOCMKUZZQMPL-IBGZPJMESA-N 1 0 303.446 3.433 20 10 DGCDRO OC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461772784 1182852127 /nfs/dbraw/zinc/85/21/27/1182852127.db2.gz AZJHDVWMYGUGDE-LJQANCHMSA-N 1 0 311.425 3.095 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)cc1C ZINC001461778464 1182852728 /nfs/dbraw/zinc/85/27/28/1182852728.db2.gz RMBMWGNJQAOLPJ-IBGZPJMESA-N 1 0 321.461 3.458 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC001462132655 1182913024 /nfs/dbraw/zinc/91/30/24/1182913024.db2.gz IAULTVGQXBZCHS-GFCCVEGCSA-N 1 0 311.809 3.272 20 10 DGCDRO COC(=O)c1c(C[NH+]2CC(C(C)C)C2)c2cc(F)ccc2n1C ZINC001462155652 1182915617 /nfs/dbraw/zinc/91/56/17/1182915617.db2.gz KEESPKKNTMSFAS-UHFFFAOYSA-N 1 0 318.392 3.192 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc3scnc3c2)c1O ZINC001462190177 1182920700 /nfs/dbraw/zinc/92/07/00/1182920700.db2.gz DRJOPZCDSRFZJM-UHFFFAOYSA-N 1 0 300.383 3.300 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC001462377209 1182943620 /nfs/dbraw/zinc/94/36/20/1182943620.db2.gz PXFTWUJTXLBPPA-PXPVJAHISA-N 1 0 300.446 3.267 20 10 DGCDRO C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463397 1182955909 /nfs/dbraw/zinc/95/59/09/1182955909.db2.gz VBQKJLZCGOHQJM-WBMJQRKESA-N 1 0 312.404 3.223 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)c1 ZINC001462479805 1182958377 /nfs/dbraw/zinc/95/83/77/1182958377.db2.gz KORZADQKPCNHQV-GOSISDBHSA-N 1 0 321.417 3.097 20 10 DGCDRO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(Cl)cc1O)C2 ZINC001462515285 1182962270 /nfs/dbraw/zinc/96/22/70/1182962270.db2.gz ATYDVFZHFXATTJ-CQSZACIVSA-N 1 0 319.788 3.148 20 10 DGCDRO COC[C@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(C)C ZINC001473262356 1183738042 /nfs/dbraw/zinc/73/80/42/1183738042.db2.gz WSWTUWVQTAUJFO-ZWKOTPCHSA-N 1 0 321.461 3.292 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001473956856 1183837797 /nfs/dbraw/zinc/83/77/97/1183837797.db2.gz BEWMNOCWCDIRSI-PIIMJCKOSA-N 1 0 300.446 3.192 20 10 DGCDRO Oc1cccc(Cl)c1CN[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001474031728 1183855220 /nfs/dbraw/zinc/85/52/20/1183855220.db2.gz VCWGTQIRBMEGGO-CQSZACIVSA-N 1 0 308.853 3.400 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2(CCO)CCCCC2)cc1F ZINC001474034735 1183855231 /nfs/dbraw/zinc/85/52/31/1183855231.db2.gz FSJGMIXAAHGFDC-UHFFFAOYSA-N 1 0 308.441 3.314 20 10 DGCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001474070004 1183861631 /nfs/dbraw/zinc/86/16/31/1183861631.db2.gz DZTYSYZKRMHOEH-FUHWJXTLSA-N 1 0 319.468 3.246 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC001474087101 1183865067 /nfs/dbraw/zinc/86/50/67/1183865067.db2.gz OLVVXPIFBMIUGH-OAHLLOKOSA-N 1 0 314.429 3.262 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@](C)(O)c1ccccc1 ZINC001474198533 1183881805 /nfs/dbraw/zinc/88/18/05/1183881805.db2.gz NSKWNKOFTPDGFP-FOIQADDNSA-N 1 0 311.425 3.397 20 10 DGCDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC001474242374 1183888465 /nfs/dbraw/zinc/88/84/65/1183888465.db2.gz HREKELNWMIBCFR-HXUWFJFHSA-N 1 0 322.452 3.294 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](O)c1ccccc1 ZINC001474257309 1183890658 /nfs/dbraw/zinc/89/06/58/1183890658.db2.gz FRQPVPNYPGHUSW-MJGOQNOKSA-N 1 0 316.420 3.494 20 10 DGCDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CS1 ZINC001474292154 1183898835 /nfs/dbraw/zinc/89/88/35/1183898835.db2.gz XHSSPICJDRUKPS-HFTRVMKXSA-N 1 0 321.534 3.229 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC001474624299 1183951372 /nfs/dbraw/zinc/95/13/72/1183951372.db2.gz PPKJQEAVTZGGNN-QXGSTGNESA-N 1 0 300.446 3.442 20 10 DGCDRO C[C@H]([NH2+]Cc1nc(Br)cs1)c1ccccc1O ZINC001474670339 1183958120 /nfs/dbraw/zinc/95/81/20/1183958120.db2.gz YBMSHCJIPUXHKM-QMMMGPOBSA-N 1 0 313.220 3.462 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(Cl)cc2O)CCCC1 ZINC001474733734 1183969834 /nfs/dbraw/zinc/96/98/34/1183969834.db2.gz PBXLTDQHQHKYNQ-UHFFFAOYSA-N 1 0 311.809 3.259 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2CCCC2)cc1C ZINC001497128942 1185280673 /nfs/dbraw/zinc/28/06/73/1185280673.db2.gz GJRUDUQWUQUBFD-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC2(C)C)cc1C ZINC001497883609 1185405485 /nfs/dbraw/zinc/40/54/85/1185405485.db2.gz KQMLLULFZBJKNJ-GDBMZVCRSA-N 1 0 318.461 3.034 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc1F ZINC001621087443 1193484103 /nfs/dbraw/zinc/48/41/03/1193484103.db2.gz MBHSFOFALUBTDT-SUMWQHHRSA-N 1 0 310.388 3.078 20 10 DGCDRO CC[C@@H](C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001616858750 1193549633 /nfs/dbraw/zinc/54/96/33/1193549633.db2.gz SLEUARWQWJGAPT-CRAIPNDOSA-N 1 0 319.493 3.298 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1cccc(F)c1 ZINC001560074897 1189274685 /nfs/dbraw/zinc/27/46/85/1189274685.db2.gz KRNFBGZRBLYUHT-VXGBXAGGSA-N 1 0 302.349 3.209 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCCNc2ncccn2)cc1C ZINC001560364853 1189318871 /nfs/dbraw/zinc/31/88/71/1189318871.db2.gz AAYWJJNKHGLRKW-UHFFFAOYSA-N 1 0 314.433 3.166 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC001560416538 1189325499 /nfs/dbraw/zinc/32/54/99/1189325499.db2.gz UCZNWRHFEGDTRS-GOSISDBHSA-N 1 0 300.446 3.373 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1F ZINC001560463835 1189331650 /nfs/dbraw/zinc/33/16/50/1189331650.db2.gz HLFIJOKRKYZHJW-HNNXBMFYSA-N 1 0 323.431 3.137 20 10 DGCDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001560598241 1189346730 /nfs/dbraw/zinc/34/67/30/1189346730.db2.gz SEBPUJZLJVXDIG-JXFKEZNVSA-N 1 0 322.452 3.374 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]CC(C)(C)C3CC3)cc2F)CC1 ZINC001560603486 1189346767 /nfs/dbraw/zinc/34/67/67/1189346767.db2.gz MKLTXIBCDOXBHP-UHFFFAOYSA-N 1 0 319.468 3.103 20 10 DGCDRO CC[C@@H](C)[C@@H](C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001560648969 1189355252 /nfs/dbraw/zinc/35/52/52/1189355252.db2.gz ZIXROKODJZAUCN-VQIMIIECSA-N 1 0 320.477 3.268 20 10 DGCDRO COc1ccc(C[C@H]2CC[N@@H+]2Cc2cc(OC)ccc2O)cc1 ZINC001560671911 1189357856 /nfs/dbraw/zinc/35/78/56/1189357856.db2.gz RHQSMBWEAXDLJA-MRXNPFEDSA-N 1 0 313.397 3.226 20 10 DGCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(Br)cc1O ZINC001560692063 1189360373 /nfs/dbraw/zinc/36/03/73/1189360373.db2.gz FEQJFEIPTOGOOZ-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO O=C1C[C@H]([NH2+]Cc2ccc(Cl)cc2O)CN1C1CCCCC1 ZINC001560742111 1189372038 /nfs/dbraw/zinc/37/20/38/1189372038.db2.gz RUYUKAJWAVSXGK-AWEZNQCLSA-N 1 0 322.836 3.069 20 10 DGCDRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001560781675 1189380069 /nfs/dbraw/zinc/38/00/69/1189380069.db2.gz DVOBSJNZRBPOOZ-INIZCTEOSA-N 1 0 305.805 3.129 20 10 DGCDRO COc1cc(CN(C)CC[N@H+](C)C2CC2)c(O)c(C(C)(C)C)c1 ZINC001560812409 1189386766 /nfs/dbraw/zinc/38/67/66/1189386766.db2.gz RCDTWWSLFLTXDP-UHFFFAOYSA-N 1 0 320.477 3.224 20 10 DGCDRO C[N@H+](Cc1ccc(Cl)cc1O)C[C@@]1(O)CCc2ccccc21 ZINC001560899191 1189402135 /nfs/dbraw/zinc/40/21/35/1189402135.db2.gz KZHPIFRJFGDNJB-SFHVURJKSA-N 1 0 317.816 3.311 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(C)cc2O)cc1 ZINC001560917483 1189405508 /nfs/dbraw/zinc/40/55/08/1189405508.db2.gz POBKNJLTEZIFFG-UHFFFAOYSA-N 1 0 314.429 3.277 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001560947860 1189409514 /nfs/dbraw/zinc/40/95/14/1189409514.db2.gz JSRMRLQWLRVZFU-HOCLYGCPSA-N 1 0 311.809 3.257 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2CCCCC2)cc1C ZINC001566994547 1189985866 /nfs/dbraw/zinc/98/58/66/1189985866.db2.gz GWHBGUKNGYJKRP-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001568099247 1190419616 /nfs/dbraw/zinc/41/96/16/1190419616.db2.gz FKYVMWRBSLHIFV-QAQDUYKDSA-N 1 0 318.461 3.321 20 10 DGCDRO CC/C(C)=C/C(=O)N(C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001569199452 1190652110 /nfs/dbraw/zinc/65/21/10/1190652110.db2.gz LDZMRRJEBVGZOZ-NTCAYCPXSA-N 1 0 318.461 3.298 20 10 DGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)CC2(C)CC2)cc1C ZINC001569223560 1190654274 /nfs/dbraw/zinc/65/42/74/1190654274.db2.gz HDDIEPCRVJGYIK-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO CC(C)c1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC001575858866 1191513437 /nfs/dbraw/zinc/51/34/37/1191513437.db2.gz SSLCGYIBCFGZDE-UONOGXRCSA-N 1 0 316.367 3.227 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC001620714312 1193794526 /nfs/dbraw/zinc/79/45/26/1193794526.db2.gz JJVANCAPUVOUSF-INIZCTEOSA-N 1 0 320.440 3.232 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cc1F ZINC001621087440 1193800717 /nfs/dbraw/zinc/80/07/17/1193800717.db2.gz MBHSFOFALUBTDT-CXAGYDPISA-N 1 0 310.388 3.078 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1F ZINC001621100315 1193802062 /nfs/dbraw/zinc/80/20/62/1193802062.db2.gz ZIZGLXIMNVOKTN-WBVHZDCISA-N 1 0 306.425 3.187 20 10 DGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C1(C)C ZINC001621122156 1193805778 /nfs/dbraw/zinc/80/57/78/1193805778.db2.gz UCTFKECKKBKKLU-SJORKVTESA-N 1 0 307.434 3.345 20 10 DGCDRO CCc1cccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC001621172766 1193812235 /nfs/dbraw/zinc/81/22/35/1193812235.db2.gz XEBQNOGPBBULSI-GOSISDBHSA-N 1 0 324.424 3.192 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2Cl)c(O)c1 ZINC001621236194 1193821003 /nfs/dbraw/zinc/82/10/03/1193821003.db2.gz YGCMFZNCBYXMRR-HNNXBMFYSA-N 1 0 318.804 3.060 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c(O)c1 ZINC001621306594 1193828109 /nfs/dbraw/zinc/82/81/09/1193828109.db2.gz PZUPOTKMSSDROA-HNNXBMFYSA-N 1 0 316.376 3.278 20 10 DGCDRO COc1ccc(C[NH2+]Cc2coc3ccccc23)c(O)c1OC ZINC001621351511 1193832418 /nfs/dbraw/zinc/83/24/18/1193832418.db2.gz PGAXRORBHPMCLC-UHFFFAOYSA-N 1 0 313.353 3.445 20 10 DGCDRO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1O ZINC001621399758 1193837466 /nfs/dbraw/zinc/83/74/66/1193837466.db2.gz OWXUNHSKEKHGET-QWHCGFSZSA-N 1 0 323.408 3.474 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC001621405276 1193838546 /nfs/dbraw/zinc/83/85/46/1193838546.db2.gz NYXZCOJNIKBZKX-OAQYLSRUSA-N 1 0 324.468 3.327 20 10 DGCDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc(Cl)cc1O ZINC001621443351 1193843844 /nfs/dbraw/zinc/84/38/44/1193843844.db2.gz JBFBGAQONBYLPO-UHFFFAOYSA-N 1 0 305.809 3.336 20 10 DGCDRO [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001621460487 1193845668 /nfs/dbraw/zinc/84/56/68/1193845668.db2.gz QWJUYFKRCIHLCH-AWEZNQCLSA-N 1 0 308.853 3.257 20 10 DGCDRO CCOCc1cc(CNCC[N@H+](C)C2CCCC2)ccc1OC ZINC001649210468 1194104416 /nfs/dbraw/zinc/10/44/16/1194104416.db2.gz SUIGIOZRMBPJJD-UHFFFAOYSA-N 1 0 320.477 3.196 20 10 DGCDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)C2=CC(=O)CS2)CC1 ZINC001635707097 1194566969 /nfs/dbraw/zinc/56/69/69/1194566969.db2.gz SQGWPTORLLMGDN-CQSZACIVSA-N 1 0 322.474 3.180 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001635969293 1194582833 /nfs/dbraw/zinc/58/28/33/1194582833.db2.gz OEXAOBKGCPNJHI-KRWDZBQOSA-N 1 0 312.413 3.034 20 10 DGCDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001639387518 1194763018 /nfs/dbraw/zinc/76/30/18/1194763018.db2.gz MVWKUDXBQRMEIQ-INIZCTEOSA-N 1 0 312.413 3.034 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCc2cccc(F)c2)cc1 ZINC001646720512 1195236702 /nfs/dbraw/zinc/23/67/02/1195236702.db2.gz UROSEGGNHUKHMW-UHFFFAOYSA-N 1 0 316.420 3.445 20 10 DGCDRO CC(C)[NH+](CCNC/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC001648689327 1195323101 /nfs/dbraw/zinc/32/31/01/1195323101.db2.gz TWAKDODVVBXCBM-BQYQJAHWSA-N 1 0 303.494 3.474 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccc(O)c(OC)c2)cc1C ZINC001649934873 1195359222 /nfs/dbraw/zinc/35/92/22/1195359222.db2.gz BJPFGRJFIODKAA-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC3(C2)OCCO3)cc1C ZINC001650864529 1195389980 /nfs/dbraw/zinc/38/99/80/1195389980.db2.gz RUJWFJZGRZQRCI-MRXNPFEDSA-N 1 0 305.418 3.169 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)cc1C ZINC001650863343 1195390513 /nfs/dbraw/zinc/39/05/13/1195390513.db2.gz DEPWOZSMFNOIGQ-LTCLLZNKSA-N 1 0 319.445 3.415 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)ccc1OC ZINC001650919444 1195395949 /nfs/dbraw/zinc/39/59/49/1195395949.db2.gz XMYOWLOYXUAWIY-PKOBYXMFSA-N 1 0 319.445 3.279 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC001651156619 1195421590 /nfs/dbraw/zinc/42/15/90/1195421590.db2.gz GRIIASJYZQQPFM-UZLBHIALSA-N 1 0 322.408 3.071 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001651902450 1195522474 /nfs/dbraw/zinc/52/24/74/1195522474.db2.gz IGUZODBUWCSRAC-INIZCTEOSA-N 1 0 308.853 3.496 20 10 DGCDRO COc1cc(C)c(CN(CCC[NH3+])c2cccc(F)c2)c(O)c1 ZINC001652001042 1195534772 /nfs/dbraw/zinc/53/47/72/1195534772.db2.gz GQSBZVMHQYQRFL-UHFFFAOYSA-N 1 0 318.392 3.204 20 10 DGCDRO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001652159118 1195555238 /nfs/dbraw/zinc/55/52/38/1195555238.db2.gz UYTMAIJMQDEZKT-INIZCTEOSA-N 1 0 305.418 3.433 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)c(O)c1 ZINC001652179026 1195558646 /nfs/dbraw/zinc/55/86/46/1195558646.db2.gz HKHVINUIHTYNMU-UHFFFAOYSA-N 1 0 307.397 3.391 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H](C)Cc2cccc(O)c2)c(O)c1 ZINC001652465939 1195601573 /nfs/dbraw/zinc/60/15/73/1195601573.db2.gz OXOJWTIFYRJANB-ZDUSSCGKSA-N 1 0 301.386 3.136 20 10 DGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC001652474664 1195603749 /nfs/dbraw/zinc/60/37/49/1195603749.db2.gz MTTNPCVRNYPVSD-MSOLQXFVSA-N 1 0 302.462 3.450 20 10 DGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001653222425 1195700988 /nfs/dbraw/zinc/70/09/88/1195700988.db2.gz TXWKUEWBNASIMN-OTWHNJEPSA-N 1 0 303.494 3.380 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(NC(N)=O)cc2)cc1 ZINC001655246289 1195895708 /nfs/dbraw/zinc/89/57/08/1195895708.db2.gz JAXOERKGHILWHE-ONEGZZNKSA-N 1 0 324.428 3.046 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC)C2)cc1C ZINC001655492104 1195923561 /nfs/dbraw/zinc/92/35/61/1195923561.db2.gz QMUCNYZTSXNUJV-MRXNPFEDSA-N 1 0 320.433 3.104 20 10 DGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1(C)C ZINC001655985596 1195985221 /nfs/dbraw/zinc/98/52/21/1195985221.db2.gz PQFNBKUMNLDSAV-ZJRQMUARSA-N 1 0 302.462 3.415 20 10 DGCDRO C[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCCCC1 ZINC001656155875 1196011492 /nfs/dbraw/zinc/01/14/92/1196011492.db2.gz ZNOGZEOHGORRIZ-QWPQOLDESA-N 1 0 301.478 3.230 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N1CCC[C@H](C)C1 ZINC001656761413 1196069470 /nfs/dbraw/zinc/06/94/70/1196069470.db2.gz NZXYUMRLLXERRX-ROUUACIJSA-N 1 0 315.505 3.497 20 10 DGCDRO c1ccc2c(c1)CN(CC[NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001656976008 1196088424 /nfs/dbraw/zinc/08/84/24/1196088424.db2.gz NKGWPKIPRFTKDF-UHFFFAOYSA-N 1 0 321.468 3.392 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCCN2C)cc1F ZINC001657082139 1196102613 /nfs/dbraw/zinc/10/26/13/1196102613.db2.gz OSMAQYSKLTTXSK-MRXNPFEDSA-N 1 0 307.457 3.246 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)C[S@](C)=O)cc1 ZINC001657159085 1196112975 /nfs/dbraw/zinc/11/29/75/1196112975.db2.gz DADBRRYPRYQLRQ-VFNWGFHPSA-N 1 0 310.507 3.170 20 10 DGCDRO CN(C)c1ccccc1C[NH2+]CCCSc1nccs1 ZINC001657271718 1196125633 /nfs/dbraw/zinc/12/56/33/1196125633.db2.gz SDARUNLSSNXNIY-UHFFFAOYSA-N 1 0 307.488 3.481 20 10 DGCDRO CC(C)[C@H]1C[C@@H]([NH2+]CCCSc2nccs2)CCO1 ZINC001657271972 1196126022 /nfs/dbraw/zinc/12/60/22/1196126022.db2.gz XDFLXFFDTTXDTJ-QWHCGFSZSA-N 1 0 300.493 3.419 20 10 DGCDRO CCc1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1O ZINC001657571947 1196156291 /nfs/dbraw/zinc/15/62/91/1196156291.db2.gz VJKJULLJYZQQIY-UHFFFAOYSA-N 1 0 314.404 3.416 20 10 DGCDRO COC(=O)C1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CCCC1 ZINC001657745400 1196174428 /nfs/dbraw/zinc/17/44/28/1196174428.db2.gz VFBRVROCVFQXSX-UHFFFAOYSA-N 1 0 311.809 3.177 20 10 DGCDRO CC(C)CNC(=O)C1([NH2+]Cc2ccc(Cl)cc2O)CCCC1 ZINC001657828329 1196181891 /nfs/dbraw/zinc/18/18/91/1196181891.db2.gz IHDFGVVRKVNCFU-UHFFFAOYSA-N 1 0 324.852 3.220 20 10 DGCDRO COc1cc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844197 1196184476 /nfs/dbraw/zinc/18/44/76/1196184476.db2.gz SSTBHPOEJRUJTD-KBPBESRZSA-N 1 0 320.477 3.223 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC001657855404 1196185034 /nfs/dbraw/zinc/18/50/34/1196185034.db2.gz PJFZEYUVKFFNQR-LJQANCHMSA-N 1 0 302.462 3.452 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@@H](OC)C3CCC3)CC2)cc1 ZINC001657876506 1196190159 /nfs/dbraw/zinc/19/01/59/1196190159.db2.gz UDLBLTRDMUNXPY-LJQANCHMSA-N 1 0 318.461 3.022 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccccc1O ZINC001657915219 1196193016 /nfs/dbraw/zinc/19/30/16/1196193016.db2.gz XMIYVNDOXHMNHF-LLVKDONJSA-N 1 0 314.410 3.156 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCCC(C)(C)C1 ZINC001657918346 1196193112 /nfs/dbraw/zinc/19/31/12/1196193112.db2.gz YFVYTVZWQKDZOH-UHFFFAOYSA-N 1 0 303.494 3.273 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC001658272817 1196233366 /nfs/dbraw/zinc/23/33/66/1196233366.db2.gz AAQUDNCOVPHXDF-QGZVFWFLSA-N 1 0 303.494 3.495 20 10 DGCDRO CCc1cccc(NC(=O)C[NH2+]Cc2cccc(CC)c2O)c1 ZINC001658394903 1196250789 /nfs/dbraw/zinc/25/07/89/1196250789.db2.gz DMEZLQISFHSKSJ-UHFFFAOYSA-N 1 0 312.413 3.245 20 10 DGCDRO CCOC(=O)C[N@H+](Cc1ccccc1O)CC1(C)CCCC1 ZINC001658399094 1196251275 /nfs/dbraw/zinc/25/12/75/1196251275.db2.gz MBPZLJNGHWRQEU-UHFFFAOYSA-N 1 0 305.418 3.338 20 10 DGCDRO Cc1ccc(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c(O)c1 ZINC001658533973 1196270841 /nfs/dbraw/zinc/27/08/41/1196270841.db2.gz UHHLIEYFGKTJLA-UHFFFAOYSA-N 1 0 322.449 3.436 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2(C3(O)CCC3)CC2)cc1F ZINC001658687330 1196288605 /nfs/dbraw/zinc/28/86/05/1196288605.db2.gz UPGRWFJNTRLQRM-UHFFFAOYSA-N 1 0 320.452 3.457 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)[C@@H](CC)CN1C(C)=O ZINC001658833396 1196307471 /nfs/dbraw/zinc/30/74/71/1196307471.db2.gz QYOFHZULHCUOQY-JKSUJKDBSA-N 1 0 324.852 3.267 20 10 DGCDRO Cn1ccc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001658929044 1196321659 /nfs/dbraw/zinc/32/16/59/1196321659.db2.gz DQFDSBGCWDKYJY-LBPRGKRZSA-N 1 0 305.809 3.159 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC001659050615 1196337781 /nfs/dbraw/zinc/33/77/81/1196337781.db2.gz UZPYLUGAVGKNPV-HNNXBMFYSA-N 1 0 313.445 3.314 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC001659060808 1196339273 /nfs/dbraw/zinc/33/92/73/1196339273.db2.gz XZHMPGAWZNDZHF-UHFFFAOYSA-N 1 0 305.761 3.107 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cc(F)ccc2N(C)C)c1 ZINC001659131711 1196349992 /nfs/dbraw/zinc/34/99/92/1196349992.db2.gz JTFIYTHVDPSNNS-GFCCVEGCSA-N 1 0 318.392 3.457 20 10 DGCDRO CC[N@@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)CC1CC1 ZINC001659177852 1196355667 /nfs/dbraw/zinc/35/56/67/1196355667.db2.gz QDBBBLZRJBDBMG-UHFFFAOYSA-N 1 0 318.392 3.336 20 10 DGCDRO COc1cc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001659332593 1196372999 /nfs/dbraw/zinc/37/29/99/1196372999.db2.gz RXHPHOLGDGFBAO-OKILXGFUSA-N 1 0 320.477 3.223 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1 ZINC001659372969 1196376700 /nfs/dbraw/zinc/37/67/00/1196376700.db2.gz LNKOZZHWXJGYMX-UHFFFAOYSA-N 1 0 324.424 3.091 20 10 DGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001659414857 1196380982 /nfs/dbraw/zinc/38/09/82/1196380982.db2.gz PQFWNLSNZWHVJS-VHSXEESVSA-N 1 0 318.161 3.242 20 10 DGCDRO CC[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC001659527655 1196391783 /nfs/dbraw/zinc/39/17/83/1196391783.db2.gz JEQLKSARMBRHDJ-DOTOQJQBSA-N 1 0 302.462 3.268 20 10 DGCDRO CC[N@@H+](Cc1cc(C(C)C)ccc1O)C[C@@H](O)C(F)(F)F ZINC001659540733 1196394094 /nfs/dbraw/zinc/39/40/94/1196394094.db2.gz IZKJNJDUPVNROU-CQSZACIVSA-N 1 0 305.340 3.261 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@@H]4CCC[C@H]34)C2)cc1 ZINC001660090431 1196444003 /nfs/dbraw/zinc/44/40/03/1196444003.db2.gz BYWUOHUMTVWXLQ-LVFSCSRESA-N 1 0 300.446 3.300 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(O)c1 ZINC001660109591 1196446158 /nfs/dbraw/zinc/44/61/58/1196446158.db2.gz JDGOMIPPQAKESW-PBHICJAKSA-N 1 0 305.418 3.100 20 10 DGCDRO COC(=O)c1c(C[NH2+]CCCC2CC2)c2cc(F)ccc2n1C ZINC001660140435 1196450458 /nfs/dbraw/zinc/45/04/58/1196450458.db2.gz MMTGSSQEDZEODU-UHFFFAOYSA-N 1 0 318.392 3.384 20 10 DGCDRO CC1=CC[C@@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001660178929 1196454708 /nfs/dbraw/zinc/45/47/08/1196454708.db2.gz YWATTWPTAKFEQY-MJGOQNOKSA-N 1 0 301.478 3.444 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001660193891 1196455464 /nfs/dbraw/zinc/45/54/64/1196455464.db2.gz MUZZUFLRIDJXQR-QWHCGFSZSA-N 1 0 311.372 3.309 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(c2cncn2C)CC1 ZINC001660237909 1196460514 /nfs/dbraw/zinc/46/05/14/1196460514.db2.gz DSNPFJVEJMJDPU-UHFFFAOYSA-N 1 0 312.461 3.174 20 10 DGCDRO Oc1cccc2c1CN(Cc1ccnn1-c1ccc(F)cc1)C2 ZINC001660550096 1196496411 /nfs/dbraw/zinc/49/64/11/1196496411.db2.gz URLBJNORYRPIGG-UHFFFAOYSA-N 1 0 309.344 3.233 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC001660697309 1196512983 /nfs/dbraw/zinc/51/29/83/1196512983.db2.gz QXSGRMUEIJZXKO-CQSZACIVSA-N 1 0 313.731 3.147 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2c[nH]c(=O)c3ccccc23)c1O ZINC001660727615 1196517442 /nfs/dbraw/zinc/51/74/42/1196517442.db2.gz BPPDWNQMPWUYHY-UHFFFAOYSA-N 1 0 308.381 3.498 20 10 DGCDRO C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC001660944790 1196544460 /nfs/dbraw/zinc/54/44/60/1196544460.db2.gz JDSQYVLLPBTTIV-CHWSQXEVSA-N 1 0 312.404 3.128 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1F ZINC001661340269 1196595850 /nfs/dbraw/zinc/59/58/50/1196595850.db2.gz QJDHCPQOMSYLDY-ZDUSSCGKSA-N 1 0 323.456 3.065 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1OC ZINC001661524024 1196615635 /nfs/dbraw/zinc/61/56/35/1196615635.db2.gz LNWCGSCSEZEVKO-JQHSSLGASA-N 1 0 319.445 3.135 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCc2ccc3c(c2)CCO3)cc1F ZINC001662208572 1196694990 /nfs/dbraw/zinc/69/49/90/1196694990.db2.gz NVBQFSYWMINAKG-UHFFFAOYSA-N 1 0 314.404 3.159 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C(C)(C)C)cc1C ZINC001662263155 1196700375 /nfs/dbraw/zinc/70/03/75/1196700375.db2.gz PTYOCWNIKBOZGN-LSDHHAIUSA-N 1 0 320.477 3.280 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC)C2)cc1 ZINC001662503059 1196726431 /nfs/dbraw/zinc/72/64/31/1196726431.db2.gz RCMPXVNLHCFHIT-QGZVFWFLSA-N 1 0 317.477 3.023 20 10 DGCDRO CCCCN(C)C[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001662559942 1196730189 /nfs/dbraw/zinc/73/01/89/1196730189.db2.gz ROEVFFMOISEHPQ-KBOKABMXSA-N 1 0 303.494 3.476 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1)CCCO2 ZINC001662971228 1196778909 /nfs/dbraw/zinc/77/89/09/1196778909.db2.gz VCDQTDFDLZPDJV-RTBURBONSA-N 1 0 301.430 3.449 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)n2)c(O)c1 ZINC001663623694 1196916512 /nfs/dbraw/zinc/91/65/12/1196916512.db2.gz OLSGKDLSHIAZSP-QGZVFWFLSA-N 1 0 311.429 3.481 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(O)c1 ZINC001664820995 1197062817 /nfs/dbraw/zinc/06/28/17/1197062817.db2.gz FWCYWRBSOYESTF-GOSISDBHSA-N 1 0 317.429 3.100 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(O)c1 ZINC001665290438 1197119691 /nfs/dbraw/zinc/11/96/91/1197119691.db2.gz VKZYYMYNXMABDP-AYOQOUSVSA-N 1 0 313.372 3.276 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1 ZINC001665449695 1197139329 /nfs/dbraw/zinc/13/93/29/1197139329.db2.gz ALSIIQFGWJNJFV-GOSISDBHSA-N 1 0 324.424 3.432 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)c1O ZINC001665533813 1197148895 /nfs/dbraw/zinc/14/88/95/1197148895.db2.gz SWAQEKUZXJBMGP-CYBMUJFWSA-N 1 0 313.825 3.037 20 10 DGCDRO CSC1(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC001665862397 1197208635 /nfs/dbraw/zinc/20/86/35/1197208635.db2.gz CJSQIBYDYDYHQT-KRWDZBQOSA-N 1 0 321.534 3.231 20 10 DGCDRO CC/C=C(\C)C(=O)N[C@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001667994572 1197395063 /nfs/dbraw/zinc/39/50/63/1197395063.db2.gz UOOFZFHEBPXNAK-SNQWNFELSA-N 1 0 318.461 3.344 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CCCC2)cc1C ZINC001674618664 1197804016 /nfs/dbraw/zinc/80/40/16/1197804016.db2.gz MFLQRKUUKUBSPS-HUUCEWRRSA-N 1 0 318.461 3.177 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCOCC(F)(F)F ZINC000111637280 1199629704 /nfs/dbraw/zinc/62/97/04/1199629704.db2.gz NTTVRAKXCADQSR-WDEREUQCSA-N 1 0 303.324 3.417 20 10 DGCDRO Cc1cccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1O ZINC000309930383 1199711839 /nfs/dbraw/zinc/71/18/39/1199711839.db2.gz YVCRKQNMNNVVLU-UHFFFAOYSA-N 1 0 310.441 3.455 20 10 DGCDRO CC[C@@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001689388203 1200117728 /nfs/dbraw/zinc/11/77/28/1200117728.db2.gz PTHBXSZXTHUDHU-NVPAJSRCSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H](C)C(C)C)cc1C ZINC001754401090 1200253626 /nfs/dbraw/zinc/25/36/26/1200253626.db2.gz QCXVUOGHTNMHTA-INIZCTEOSA-N 1 0 320.477 3.234 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(C)CCC2)cc1C ZINC001755247357 1200731861 /nfs/dbraw/zinc/73/18/61/1200731861.db2.gz ATGUKPAORGCHSQ-GJZGRUSLSA-N 1 0 318.461 3.177 20 10 DGCDRO CC[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001698960517 1201613396 /nfs/dbraw/zinc/61/33/96/1201613396.db2.gz KMRPNKVFQXFTDO-RHSMWYFYSA-N 1 0 320.477 3.280 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C2CCC2)cc1C ZINC001699409352 1201844204 /nfs/dbraw/zinc/84/42/04/1201844204.db2.gz WOIKFANBSHXFRF-GJZGRUSLSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)C(C)(C)C)cc1C ZINC001699408943 1201844505 /nfs/dbraw/zinc/84/45/05/1201844505.db2.gz NYYAMXKOOFJEFZ-GJZGRUSLSA-N 1 0 320.477 3.280 20 10 DGCDRO C/C=C(/C)C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700652452 1202329309 /nfs/dbraw/zinc/32/93/09/1202329309.db2.gz HINIWKDTDUAHMH-VCXBKZMZSA-N 1 0 318.461 3.344 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000192592555 1203289489 /nfs/dbraw/zinc/28/94/89/1203289489.db2.gz YXJGSWNNYGRNCP-UHFFFAOYSA-N 1 0 324.346 3.225 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)C(C)C)cc1C ZINC001715260774 1203304551 /nfs/dbraw/zinc/30/45/51/1203304551.db2.gz YIBPNDGEZRPBCR-GDBMZVCRSA-N 1 0 320.477 3.138 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2CCCC2)cc1C ZINC001732405909 1204824478 /nfs/dbraw/zinc/82/44/78/1204824478.db2.gz YFJACMWNEQSZIH-OAHLLOKOSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(C)CCC2)cc1C ZINC001732434209 1204838528 /nfs/dbraw/zinc/83/85/28/1204838528.db2.gz DOJSNUWSAZRNSU-OAHLLOKOSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)C2CCCC2)cc1C ZINC001733085857 1205022009 /nfs/dbraw/zinc/02/20/09/1205022009.db2.gz BVGKLNJKOKHQTP-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001595749690 982427722 /nfs/dbraw/zinc/42/77/22/982427722.db2.gz UAFLKLJTRQRVNX-CYBMUJFWSA-N 1 0 320.433 3.006 20 10 DGCDRO CCOCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC001172417375 1097133916 /nfs/dbraw/zinc/13/39/16/1097133916.db2.gz VMQCFNNFSRVVOK-SNVBAGLBSA-N 1 0 302.212 3.059 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC001169462931 1081573332 /nfs/dbraw/zinc/57/33/32/1081573332.db2.gz SDDPUFJCDPKSKK-QGPMSJSTSA-N 1 0 318.461 3.383 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1O ZINC001169733716 1081646126 /nfs/dbraw/zinc/64/61/26/1081646126.db2.gz WXVWPFNUKNLYAD-NVXWUHKLSA-N 1 0 324.424 3.348 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)cc1 ZINC001169980785 1081775650 /nfs/dbraw/zinc/77/56/50/1081775650.db2.gz KTALLAFTWWKZIH-UHFFFAOYSA-N 1 0 305.466 3.253 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c1O ZINC000691455006 1081798875 /nfs/dbraw/zinc/79/88/75/1081798875.db2.gz RJXRQPUKVFQSSM-UHFFFAOYSA-N 1 0 321.424 3.489 20 10 DGCDRO CC(C)(C)OCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691456358 1081798987 /nfs/dbraw/zinc/79/89/87/1081798987.db2.gz TVFXEZZRJBOHPB-UHFFFAOYSA-N 1 0 316.239 3.450 20 10 DGCDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000693067612 1081904358 /nfs/dbraw/zinc/90/43/58/1081904358.db2.gz XGBBAKLZJBWKRZ-LLVKDONJSA-N 1 0 314.223 3.059 20 10 DGCDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000691488048 1081923800 /nfs/dbraw/zinc/92/38/00/1081923800.db2.gz KJBCAAHHWIRDAZ-WDEREUQCSA-N 1 0 314.223 3.059 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000691522007 1081958587 /nfs/dbraw/zinc/95/85/87/1081958587.db2.gz JOVAIUAMLONVQO-OLZOCXBDSA-N 1 0 322.449 3.346 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cccc4c3CCN4)cc2)CC1 ZINC001167434753 1082114198 /nfs/dbraw/zinc/11/41/98/1082114198.db2.gz VWDRBBKVDXEZKS-UHFFFAOYSA-N 1 0 322.456 3.019 20 10 DGCDRO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001648913700 1082319735 /nfs/dbraw/zinc/31/97/35/1082319735.db2.gz DXJNRWSOUCOLJI-HOTGVXAUSA-N 1 0 302.462 3.222 20 10 DGCDRO C[C@H](Cc1ccccc1Cl)[NH2+]CCc1cc(O)c(O)cc1O ZINC001170255658 1082336002 /nfs/dbraw/zinc/33/60/02/1082336002.db2.gz UTLCXONUWQBGCH-LLVKDONJSA-N 1 0 321.804 3.220 20 10 DGCDRO Cc1cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)ccc1N1CCCCC1 ZINC001170398514 1082360936 /nfs/dbraw/zinc/36/09/36/1082360936.db2.gz DETYWJAITZHUHS-ROUUACIJSA-N 1 0 302.462 3.234 20 10 DGCDRO CC[C@@H]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133442820 1083125201 /nfs/dbraw/zinc/12/52/01/1083125201.db2.gz JXUPCFYMPIYVKA-SJORKVTESA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2CCC2)cc1C ZINC001133464672 1083129507 /nfs/dbraw/zinc/12/95/07/1083129507.db2.gz CGOXCLDXPTZQGX-HUUCEWRRSA-N 1 0 318.461 3.177 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)CCC[C@]1(C)O ZINC001140921311 1083182615 /nfs/dbraw/zinc/18/26/15/1083182615.db2.gz ATCGNXMNRJPLTG-GUYCJALGSA-N 1 0 310.869 3.389 20 10 DGCDRO CC1(C)[C@@H]2C[C@@H]([NH2+]C3CCN(Cc4ccccc4O)CC3)C[C@@H]21 ZINC001170732523 1083247600 /nfs/dbraw/zinc/24/76/00/1083247600.db2.gz ZTPVRBDWFRWGNG-NNZMDNLPSA-N 1 0 314.473 3.381 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170758960 1083311069 /nfs/dbraw/zinc/31/10/69/1083311069.db2.gz ZNEAOFUMBJDBCF-REPLKXPHSA-N 1 0 314.473 3.390 20 10 DGCDRO C[C@@H](NCc1cc(F)c(F)cc1O)c1nc(C(C)(C)C)no1 ZINC001181435187 1083474691 /nfs/dbraw/zinc/47/46/91/1083474691.db2.gz AHSHNTAWAMTQDE-MRVPVSSYSA-N 1 0 311.332 3.202 20 10 DGCDRO CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001267871393 1083493802 /nfs/dbraw/zinc/49/38/02/1083493802.db2.gz FQNCYCDFGDHDTJ-INIZCTEOSA-N 1 0 318.461 3.132 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC001183044799 1083860812 /nfs/dbraw/zinc/86/08/12/1083860812.db2.gz FSTAYMWRBITSQQ-VDGAXYAQSA-N 1 0 314.473 3.316 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)COCC2CCCCC2)c1 ZINC001183920350 1084066543 /nfs/dbraw/zinc/06/65/43/1084066543.db2.gz XDEHUFAHPCRXST-AWEZNQCLSA-N 1 0 307.434 3.476 20 10 DGCDRO COC(=O)C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)(C)C ZINC001184011642 1084089353 /nfs/dbraw/zinc/08/93/53/1084089353.db2.gz FVOUYAFNMFYNGI-IWAYRVGRSA-N 1 0 318.461 3.333 20 10 DGCDRO CC(C)C1CC([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001184217907 1084127624 /nfs/dbraw/zinc/12/76/24/1084127624.db2.gz JXTZXGRRMVUAOR-TVPLGVNVSA-N 1 0 303.494 3.380 20 10 DGCDRO COc1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cc1C ZINC001560183082 1126208820 /nfs/dbraw/zinc/20/88/20/1126208820.db2.gz KWCKYLYQCVLGFQ-IBGZPJMESA-N 1 0 317.404 3.226 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC001560441391 1126210812 /nfs/dbraw/zinc/21/08/12/1126210812.db2.gz ZMVWCZCECHBPSE-SFHVURJKSA-N 1 0 322.452 3.488 20 10 DGCDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(N)cc1 ZINC001576036525 1126215087 /nfs/dbraw/zinc/21/50/87/1126215087.db2.gz KFKDWBJMUGGDER-KRWDZBQOSA-N 1 0 304.821 3.006 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC001652346880 1126253606 /nfs/dbraw/zinc/25/36/06/1126253606.db2.gz RWVJCEQKPOQCOZ-GOSISDBHSA-N 1 0 317.404 3.348 20 10 DGCDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(Cl)cc1O ZINC001665368952 1126266906 /nfs/dbraw/zinc/26/69/06/1126266906.db2.gz PHMNKHNAZMOOAR-KRWDZBQOSA-N 1 0 323.795 3.268 20 10 DGCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001664329556 1126266954 /nfs/dbraw/zinc/26/69/54/1126266954.db2.gz PSSVJGJNVXRCSR-MRXNPFEDSA-N 1 0 319.832 3.356 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001662225932 1126265442 /nfs/dbraw/zinc/26/54/42/1126265442.db2.gz XNZVEYGBUXAUEK-LJQANCHMSA-N 1 0 311.425 3.013 20 10 DGCDRO COc1ccc2c(c1)C[C@H]([N@H+](C)Cc1ccc(N(C)C)cc1)C2 ZINC001168285989 1087283167 /nfs/dbraw/zinc/28/31/67/1087283167.db2.gz IDYWMDONAYPPGI-LJQANCHMSA-N 1 0 310.441 3.360 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1Cl ZINC001232269472 1087588532 /nfs/dbraw/zinc/58/85/32/1087588532.db2.gz BLPLSWZVSCBLKW-ZDUSSCGKSA-N 1 0 303.736 3.285 20 10 DGCDRO CSCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691469015 1088467816 /nfs/dbraw/zinc/46/78/16/1088467816.db2.gz VRHVDXTZSFAUCQ-SECBINFHSA-N 1 0 304.253 3.386 20 10 DGCDRO Cc1c[nH+]c(NCc2cc(Br)ccc2O)cc1N ZINC001160019630 1088604967 /nfs/dbraw/zinc/60/49/67/1088604967.db2.gz OTXLFOZFHFTCRD-UHFFFAOYSA-N 1 0 308.179 3.052 20 10 DGCDRO Nc1ccc(Nc2c(F)cccc2N2CCC([NH3+])CC2)cc1 ZINC001160072109 1088631239 /nfs/dbraw/zinc/63/12/39/1088631239.db2.gz SBNDHTUZHVNCCT-UHFFFAOYSA-N 1 0 300.381 3.079 20 10 DGCDRO c1cc2c(c(Nc3ccc4c(c3)CCCN4)c1)[C@H]1C[NH2+]C[C@H]1O2 ZINC001160394497 1088777916 /nfs/dbraw/zinc/77/79/16/1088777916.db2.gz JRDDGJMWZPEODK-KBXCAEBGSA-N 1 0 307.397 3.236 20 10 DGCDRO c1cc2c(c(Nc3ccc4c(c3)CCCN4)c1)[C@@H]1C[NH2+]C[C@H]1O2 ZINC001160394500 1088778419 /nfs/dbraw/zinc/77/84/19/1088778419.db2.gz JRDDGJMWZPEODK-RDTXWAMCSA-N 1 0 307.397 3.236 20 10 DGCDRO C=Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001156657189 1089627485 /nfs/dbraw/zinc/62/74/85/1089627485.db2.gz GQNFLBBDDKOJBQ-UHFFFAOYSA-N 1 0 308.429 3.089 20 10 DGCDRO CCC(C)(C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001165550959 1090530024 /nfs/dbraw/zinc/53/00/24/1090530024.db2.gz SEICRIDQLRLJEF-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO Cc1cc2c(cc1N1C[C@H](CC[NH3+])c3ccccc31)CC(=O)N2 ZINC001168547809 1090530661 /nfs/dbraw/zinc/53/06/61/1090530661.db2.gz IKWQBQSSPRKIMP-ZDUSSCGKSA-N 1 0 307.397 3.074 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203558654 1090615357 /nfs/dbraw/zinc/61/53/57/1090615357.db2.gz SKLOEWFOJVVHRG-OAHLLOKOSA-N 1 0 320.433 3.224 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(OC)ccc1OC ZINC001203528705 1090748778 /nfs/dbraw/zinc/74/87/78/1090748778.db2.gz MOGQEWVBOWEHDM-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO C[N@H+](Cc1ccccc1)C1CCN(Cc2ccccc2O)CC1 ZINC001203555839 1090754405 /nfs/dbraw/zinc/75/44/05/1090754405.db2.gz HHAVCSYKEAQQID-UHFFFAOYSA-N 1 0 310.441 3.489 20 10 DGCDRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccc2O)o1 ZINC001203552049 1090754647 /nfs/dbraw/zinc/75/46/47/1090754647.db2.gz YMWBUIQSHPFXIM-MSOLQXFVSA-N 1 0 312.413 3.142 20 10 DGCDRO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC001203558504 1090755948 /nfs/dbraw/zinc/75/59/48/1090755948.db2.gz LFKVYTHCNJZIKO-PKOBYXMFSA-N 1 0 324.424 3.016 20 10 DGCDRO COc1cccc(C[N@H+](C)CCC(=O)c2cccs2)c1O ZINC001203599636 1090764139 /nfs/dbraw/zinc/76/41/39/1090764139.db2.gz KMTDNECODMAHEE-UHFFFAOYSA-N 1 0 305.399 3.167 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c(O)c1 ZINC001203627913 1090769068 /nfs/dbraw/zinc/76/90/68/1090769068.db2.gz RTYIUALGGOIMFI-KRWDZBQOSA-N 1 0 313.397 3.192 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c(O)c1 ZINC001203634562 1090770241 /nfs/dbraw/zinc/77/02/41/1090770241.db2.gz LYVCYMINQAEVNW-CQSZACIVSA-N 1 0 321.417 3.097 20 10 DGCDRO Cc1cccc(OC2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c1 ZINC001203880724 1090826072 /nfs/dbraw/zinc/82/60/72/1090826072.db2.gz XHDZOWMEGFAESM-UHFFFAOYSA-N 1 0 313.397 3.450 20 10 DGCDRO CC(C)OCC[NH+](CCOC(C)C)Cc1ccc(N(C)C)cc1 ZINC001203934033 1090842788 /nfs/dbraw/zinc/84/27/88/1090842788.db2.gz KHTKEFRQWJXOFI-UHFFFAOYSA-N 1 0 322.493 3.405 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC001203934351 1090843083 /nfs/dbraw/zinc/84/30/83/1090843083.db2.gz RPZLLNOIMAOENA-UHFFFAOYSA-N 1 0 323.484 3.379 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001203937248 1090843575 /nfs/dbraw/zinc/84/35/75/1090843575.db2.gz OYYVFAZXIYUDIO-UHFFFAOYSA-N 1 0 312.413 3.112 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)cc1 ZINC001203936219 1090844059 /nfs/dbraw/zinc/84/40/59/1090844059.db2.gz KMNOYQJYNBIGDQ-LJQANCHMSA-N 1 0 311.429 3.191 20 10 DGCDRO CCOCC[NH+](CCOCC)Cc1ccc(N(CC)CC)cc1 ZINC001203941514 1090846161 /nfs/dbraw/zinc/84/61/61/1090846161.db2.gz AAXLFNHADVKUSE-UHFFFAOYSA-N 1 0 322.493 3.408 20 10 DGCDRO OCC[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001117077332 1090866418 /nfs/dbraw/zinc/86/64/18/1090866418.db2.gz WVZPGSMLORMELL-GOSISDBHSA-N 1 0 302.462 3.414 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c2ccccc21 ZINC001204232393 1090929136 /nfs/dbraw/zinc/92/91/36/1090929136.db2.gz BWFPJANTDKQNBG-GOEBONIOSA-N 1 0 316.420 3.058 20 10 DGCDRO CN(C)c1ccc(CN2Cc3cncnc3C2)c2ccccc21 ZINC001204233299 1090930693 /nfs/dbraw/zinc/93/06/93/1090930693.db2.gz PYAZBDLPAVURMQ-UHFFFAOYSA-N 1 0 304.397 3.212 20 10 DGCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(N(C)C)c2ccccc12 ZINC001204240184 1090931167 /nfs/dbraw/zinc/93/11/67/1090931167.db2.gz KNBWPIIBEBKXCA-UHFFFAOYSA-N 1 0 314.429 3.291 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC001204241847 1090932212 /nfs/dbraw/zinc/93/22/12/1090932212.db2.gz JPSDVMORBJNMDC-UHFFFAOYSA-N 1 0 323.484 3.433 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCc3ncncc3C2)c2ccccc21 ZINC001204241823 1090932636 /nfs/dbraw/zinc/93/26/36/1090932636.db2.gz JHHZSURRXYPGSE-UHFFFAOYSA-N 1 0 318.424 3.254 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)c2ccccc12)[C@@H](C)C(=O)OC ZINC001204241001 1090932743 /nfs/dbraw/zinc/93/27/43/1090932743.db2.gz QLHLXTUDCLIDKN-AWEZNQCLSA-N 1 0 314.429 3.289 20 10 DGCDRO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(O)cc3O)CC2)c1 ZINC001204271713 1090937077 /nfs/dbraw/zinc/93/70/77/1090937077.db2.gz CJYGMNXNJMOESS-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO CCN(CC[NH+]1CCCC1)Cc1ccc(N2CCCC2)cc1 ZINC001204327402 1090949766 /nfs/dbraw/zinc/94/97/66/1090949766.db2.gz SHBFDCFOTYNBIM-UHFFFAOYSA-N 1 0 301.478 3.205 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@@H]([NH3+])C3(CC3)C2)cc1Cl ZINC001204911597 1091060602 /nfs/dbraw/zinc/06/06/02/1091060602.db2.gz IVBSDJQEGWEBAU-OAHLLOKOSA-N 1 0 308.853 3.266 20 10 DGCDRO O[C@@]1(CF)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138215689 1091118078 /nfs/dbraw/zinc/11/80/78/1091118078.db2.gz PFQCURVYMLCVPF-IBGZPJMESA-N 1 0 320.452 3.363 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1CO ZINC001138215407 1091118702 /nfs/dbraw/zinc/11/87/02/1091118702.db2.gz DNKOZZIBWINRPD-APWZRJJASA-N 1 0 302.462 3.270 20 10 DGCDRO CN1CCC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC001138220674 1091120144 /nfs/dbraw/zinc/12/01/44/1091120144.db2.gz MAMSWYIXGVPVLI-ICSRJNTNSA-N 1 0 313.489 3.203 20 10 DGCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138257936 1091125981 /nfs/dbraw/zinc/12/59/81/1091125981.db2.gz DWFDBADQZYREDB-ZFWWWQNUSA-N 1 0 314.429 3.118 20 10 DGCDRO Cc1c(C[N@@H+]2CCC[C@@](F)(CO)CC2)c2ccccc2n1C ZINC001138252622 1091126944 /nfs/dbraw/zinc/12/69/44/1091126944.db2.gz NUHLAFPKWVEONQ-SFHVURJKSA-N 1 0 304.409 3.173 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc23)[C@@H]1C ZINC001138258294 1091128356 /nfs/dbraw/zinc/12/83/56/1091128356.db2.gz OXEGZLNMUJHOCL-CABCVRRESA-N 1 0 314.429 3.260 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@H](F)C2)cc2c3c1CCCN3CCC2 ZINC001138336672 1091145416 /nfs/dbraw/zinc/14/54/16/1091145416.db2.gz DQVCGSUEZVHCDK-HNNXBMFYSA-N 1 0 304.409 3.025 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@@H](F)CC2)cc2c3c1CCCN3CCC2 ZINC001138337595 1091145476 /nfs/dbraw/zinc/14/54/76/1091145476.db2.gz BLXZIKBOLXLOBM-MRXNPFEDSA-N 1 0 318.436 3.415 20 10 DGCDRO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138338659 1091147449 /nfs/dbraw/zinc/14/74/49/1091147449.db2.gz RYIOLMZCXGYSTR-BBRMVZONSA-N 1 0 318.436 3.271 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CC4(C3)CC(F)(F)CS4)ccc21 ZINC001138356327 1091150525 /nfs/dbraw/zinc/15/05/25/1091150525.db2.gz KYTBKELBDOXCAD-UHFFFAOYSA-N 1 0 324.440 3.396 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H](c4ccccn4)C3)ccc21 ZINC001138356080 1091150575 /nfs/dbraw/zinc/15/05/75/1091150575.db2.gz AJHUNOYVPZJOHM-SFHVURJKSA-N 1 0 307.441 3.454 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CCC4(C[C@@H]4CCO)CC3)ccc21 ZINC001138354369 1091150817 /nfs/dbraw/zinc/15/08/17/1091150817.db2.gz HCTYXSCSQJNUEQ-SFHVURJKSA-N 1 0 314.473 3.054 20 10 DGCDRO CC(C)[N@H+](Cc1ccc2c(c1)CCCN2C)C1CCOCC1 ZINC001138359654 1091151803 /nfs/dbraw/zinc/15/18/03/1091151803.db2.gz XRNZJQNURBVWKJ-UHFFFAOYSA-N 1 0 302.462 3.458 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(OC)c1 ZINC001138390053 1091162876 /nfs/dbraw/zinc/16/28/76/1091162876.db2.gz NGCODCYEUPYGMC-OSYLJGHBSA-N 1 0 306.425 3.189 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(OC)c1 ZINC001138386895 1091163046 /nfs/dbraw/zinc/16/30/46/1091163046.db2.gz ZIXVFHGCGNJRPR-XIRDDKMYSA-N 1 0 306.425 3.331 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC)CC(C)(C)O)c(OC)c1 ZINC001138390482 1091165390 /nfs/dbraw/zinc/16/53/90/1091165390.db2.gz YQAOGYCTEBWWEJ-UHFFFAOYSA-N 1 0 308.466 3.134 20 10 DGCDRO CCO[C@@H]1CC[N@H+](Cc2ccc(N(CC)CC)cc2OC)C1 ZINC001138392476 1091165418 /nfs/dbraw/zinc/16/54/18/1091165418.db2.gz XIFBMOFVIPKREA-QGZVFWFLSA-N 1 0 306.450 3.152 20 10 DGCDRO C[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2O)C[C@H]1C[NH3+] ZINC001205314549 1091180509 /nfs/dbraw/zinc/18/05/09/1091180509.db2.gz BRPWNWKAFLBRRZ-GXSJLCMTSA-N 1 0 303.233 3.116 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@H]1C[NH3+] ZINC001205651101 1091295715 /nfs/dbraw/zinc/29/57/15/1091295715.db2.gz ADZNJMGUEAYPAO-NEPJUHHUSA-N 1 0 316.367 3.218 20 10 DGCDRO C[C@@H]1CC[C@H](CN)[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806308 1091357523 /nfs/dbraw/zinc/35/75/23/1091357523.db2.gz TWRVAYNAJJENEU-NVXWUHKLSA-N 1 0 311.473 3.465 20 10 DGCDRO CCC(=O)Oc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001138965657 1091396632 /nfs/dbraw/zinc/39/66/32/1091396632.db2.gz YZLYPASCXLHCEA-UHFFFAOYSA-N 1 0 311.381 3.266 20 10 DGCDRO CC[N@H+](Cc1ccccn1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129576 1091458925 /nfs/dbraw/zinc/45/89/25/1091458925.db2.gz AQPBXRIWSLAPMT-UHFFFAOYSA-N 1 0 324.380 3.224 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206163894 1091516365 /nfs/dbraw/zinc/51/63/65/1091516365.db2.gz HGGDAETVBFKNTR-RBUKOAKNSA-N 1 0 315.436 3.355 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1 ZINC001206245024 1091547292 /nfs/dbraw/zinc/54/72/92/1091547292.db2.gz PHACUGDKPMWXLG-OAHLLOKOSA-N 1 0 316.367 3.155 20 10 DGCDRO CCc1ncnc2c1CC[N@H+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001139671063 1091638196 /nfs/dbraw/zinc/63/81/96/1091638196.db2.gz FWGPAVXNWGIGCW-UHFFFAOYSA-N 1 0 324.472 3.014 20 10 DGCDRO Cc1cc(C[N@@H+]2CCN(C)CC23CCCC3)ccc1N(C)C ZINC001139674091 1091639934 /nfs/dbraw/zinc/63/99/34/1091639934.db2.gz NIPFILWBTCSLKD-UHFFFAOYSA-N 1 0 301.478 3.121 20 10 DGCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674569 1091640197 /nfs/dbraw/zinc/64/01/97/1091640197.db2.gz WNMQHBPIISUQQS-QGZVFWFLSA-N 1 0 318.461 3.226 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1 ZINC001206661212 1091697981 /nfs/dbraw/zinc/69/79/81/1091697981.db2.gz QPOWFISHDDIVFA-XFQAVAEZSA-N 1 0 309.475 3.295 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001140057700 1091751233 /nfs/dbraw/zinc/75/12/33/1091751233.db2.gz KRNSWNSYTHYHAL-UHFFFAOYSA-N 1 0 316.376 3.217 20 10 DGCDRO C[N@H+](CCc1cccnc1)Cc1c(O)cccc1Br ZINC001140101042 1091769796 /nfs/dbraw/zinc/76/97/96/1091769796.db2.gz HMXGOXULEFSXNP-UHFFFAOYSA-N 1 0 321.218 3.224 20 10 DGCDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c1O ZINC001140178594 1091791694 /nfs/dbraw/zinc/79/16/94/1091791694.db2.gz PTKVUMHFKLQPJV-DOMZBBRYSA-N 1 0 317.351 3.144 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178848 1091791822 /nfs/dbraw/zinc/79/18/22/1091791822.db2.gz ZSAXAVLMMFYRJU-OAHLLOKOSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)c1O ZINC001140182043 1091792941 /nfs/dbraw/zinc/79/29/41/1091792941.db2.gz GRBGAULCPOBLDC-UHFFFAOYSA-N 1 0 322.452 3.327 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)c1O ZINC001140181575 1091794089 /nfs/dbraw/zinc/79/40/89/1091794089.db2.gz SUXSPNGVANDWFC-GOSISDBHSA-N 1 0 322.408 3.022 20 10 DGCDRO CSc1ncc2c(n1)C[N@@H+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140184393 1091795586 /nfs/dbraw/zinc/79/55/86/1091795586.db2.gz RPBMHFZMSYEFHJ-UHFFFAOYSA-N 1 0 315.442 3.079 20 10 DGCDRO Cc1ccc(C)c(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c1O ZINC001140186071 1091795620 /nfs/dbraw/zinc/79/56/20/1091795620.db2.gz ZHDVVZBFNHRGKI-ZWKOTPCHSA-N 1 0 320.452 3.407 20 10 DGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001140345814 1091836758 /nfs/dbraw/zinc/83/67/58/1091836758.db2.gz ZDZRUZMGWWBILL-UHFFFAOYSA-N 1 0 318.804 3.484 20 10 DGCDRO COC(=O)CC[N@H+](Cc1c(O)cccc1Cl)C1CCCC1 ZINC001140345224 1091837453 /nfs/dbraw/zinc/83/74/53/1091837453.db2.gz QHSBMGIFRMPGPY-UHFFFAOYSA-N 1 0 311.809 3.353 20 10 DGCDRO C[C@@H]([NH2+]Cc1sc(N(C)C)nc1Cl)c1ccccc1O ZINC001207160752 1091869413 /nfs/dbraw/zinc/86/94/13/1091869413.db2.gz SQWXYDGYKDTUJQ-SECBINFHSA-N 1 0 311.838 3.419 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001140464896 1091875381 /nfs/dbraw/zinc/87/53/81/1091875381.db2.gz FQJCQRYBOQZLDK-HNNXBMFYSA-N 1 0 304.777 3.094 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464862 1091876263 /nfs/dbraw/zinc/87/62/63/1091876263.db2.gz CYOBQCMSJGRYRO-MRXNPFEDSA-N 1 0 311.809 3.211 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001140466476 1091879525 /nfs/dbraw/zinc/87/95/25/1091879525.db2.gz HAFRKYYLNPOOCL-INIZCTEOSA-N 1 0 318.804 3.484 20 10 DGCDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(C)cc3O)C2)cc1 ZINC001207232877 1091894666 /nfs/dbraw/zinc/89/46/66/1091894666.db2.gz ARISSVFRXWYDKU-LJQANCHMSA-N 1 0 310.441 3.373 20 10 DGCDRO Cc1ccc(C2(O)CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC001140617662 1091932353 /nfs/dbraw/zinc/93/23/53/1091932353.db2.gz VKEMKJDHTHUONN-UHFFFAOYSA-N 1 0 311.425 3.493 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3noc4ccccc43)CC2)c1 ZINC001140617670 1091932909 /nfs/dbraw/zinc/93/29/09/1091932909.db2.gz VXOFATQFVNRYBK-UHFFFAOYSA-N 1 0 323.396 3.164 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001140617268 1091932939 /nfs/dbraw/zinc/93/29/39/1091932939.db2.gz JWIVWOONBZYSRA-DOMZBBRYSA-N 1 0 317.351 3.226 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001140660520 1091950158 /nfs/dbraw/zinc/95/01/58/1091950158.db2.gz UTXCOOXYMOEYCN-IYBDPMFKSA-N 1 0 318.436 3.284 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)cc1F)CC1CC1 ZINC001140661885 1091950514 /nfs/dbraw/zinc/95/05/14/1091950514.db2.gz WRIFSLLIRSFTLA-UHFFFAOYSA-N 1 0 306.425 3.283 20 10 DGCDRO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001203058925 1091962879 /nfs/dbraw/zinc/96/28/79/1091962879.db2.gz XNRZKTHKHKHUMC-UHFFFAOYSA-N 1 0 312.461 3.269 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c1O ZINC001140745578 1091982941 /nfs/dbraw/zinc/98/29/41/1091982941.db2.gz KZDHMLLPAFJIAR-QGZVFWFLSA-N 1 0 313.397 3.197 20 10 DGCDRO CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(O)c(C)c1O ZINC001140748982 1091984431 /nfs/dbraw/zinc/98/44/31/1091984431.db2.gz MTTCUSYDOGIPEX-UHFFFAOYSA-N 1 0 301.386 3.437 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276538583 1092004443 /nfs/dbraw/zinc/00/44/43/1092004443.db2.gz WLJGFUJWOYCFOV-UHFFFAOYSA-N 1 0 318.436 3.372 20 10 DGCDRO CCCO[C@@H]1CC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140854890 1092031533 /nfs/dbraw/zinc/03/15/33/1092031533.db2.gz GEILQRKPVHKYFQ-QGZVFWFLSA-N 1 0 306.450 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](OC)CC2)c(O)c1 ZINC001140855527 1092031863 /nfs/dbraw/zinc/03/18/63/1092031863.db2.gz DCYUAFNTUPCSDL-QGZVFWFLSA-N 1 0 306.450 3.239 20 10 DGCDRO CN(C)c1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC001140924870 1092064980 /nfs/dbraw/zinc/06/49/80/1092064980.db2.gz VEZAHIPICIARBT-MRXNPFEDSA-N 1 0 307.869 3.076 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924105 1092065292 /nfs/dbraw/zinc/06/52/92/1092065292.db2.gz DLEWTTZDNALVIC-CQSZACIVSA-N 1 0 324.852 3.181 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140926724 1092066637 /nfs/dbraw/zinc/06/66/37/1092066637.db2.gz RPLFVPMABAYRPJ-CYBMUJFWSA-N 1 0 324.852 3.181 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c(Cl)c1 ZINC001140926759 1092067133 /nfs/dbraw/zinc/06/71/33/1092067133.db2.gz UGQKUHHFZUGMBT-MRXNPFEDSA-N 1 0 307.869 3.075 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c(O)c1 ZINC001140948573 1092074462 /nfs/dbraw/zinc/07/44/62/1092074462.db2.gz OUUZTWPSDZWBMJ-UHFFFAOYSA-N 1 0 311.425 3.270 20 10 DGCDRO Cc1ccc(CN2CC[NH+](C3CCC(C)CC3)CC2)c(O)c1 ZINC001140949976 1092074777 /nfs/dbraw/zinc/07/47/77/1092074777.db2.gz PFGHOCWIRZOYCA-UHFFFAOYSA-N 1 0 302.462 3.397 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCCC23OCCO3)cc1Cl ZINC001207787061 1092101039 /nfs/dbraw/zinc/10/10/39/1092101039.db2.gz GJHDJPTUMJNSIY-OAHLLOKOSA-N 1 0 311.809 3.129 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3cccc(O)c3n1)CC2 ZINC001141024619 1092109231 /nfs/dbraw/zinc/10/92/31/1092109231.db2.gz XLMFGSVNPVDCAN-UHFFFAOYSA-N 1 0 306.365 3.204 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1c(O)cc(OC)cc1OC ZINC001141028877 1092110413 /nfs/dbraw/zinc/11/04/13/1092110413.db2.gz DFPYTQQGUUHBIE-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCCc2ccccc2)c(OC)c1 ZINC001141026776 1092110899 /nfs/dbraw/zinc/11/08/99/1092110899.db2.gz CLWJDTAISUOUQS-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO F[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]2C[C@@H]21 ZINC001141075734 1092129375 /nfs/dbraw/zinc/12/93/75/1092129375.db2.gz YLJKDTRITOIHTF-BZSNNMDCSA-N 1 0 300.421 3.175 20 10 DGCDRO c1c(C[NH+]2CCC3(CCO3)CC2)cc2c3c1CCCN3CCC2 ZINC001141078117 1092131170 /nfs/dbraw/zinc/13/11/70/1092131170.db2.gz LRBUVMXLXRLAPP-UHFFFAOYSA-N 1 0 312.457 3.140 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H]3c3ccncc3)ccc21 ZINC001141143086 1092148684 /nfs/dbraw/zinc/14/86/84/1092148684.db2.gz MPAFQNUIKHKCPG-KRWDZBQOSA-N 1 0 309.413 3.247 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC001141155122 1092153537 /nfs/dbraw/zinc/15/35/37/1092153537.db2.gz BQUAAHCJSSUPOO-UHFFFAOYSA-N 1 0 319.307 3.272 20 10 DGCDRO COc1cccc([C@@H]2CCC[N@H+](Cc3cc(O)ccc3O)C2)c1 ZINC001141162657 1092157367 /nfs/dbraw/zinc/15/73/67/1092157367.db2.gz YRMXRTGHWRWHER-OAHLLOKOSA-N 1 0 313.397 3.486 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cccc(-n3ccnc3)c1)CC2 ZINC001141244251 1092191242 /nfs/dbraw/zinc/19/12/42/1092191242.db2.gz HACPQVDIFXUVAN-UHFFFAOYSA-N 1 0 305.381 3.136 20 10 DGCDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CN1C(=O)OC(C)(C)C ZINC001168871125 1092406972 /nfs/dbraw/zinc/40/69/72/1092406972.db2.gz GZGNTRLWAWAXRD-UKRRQHHQSA-N 1 0 320.433 3.222 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023290 1092505409 /nfs/dbraw/zinc/50/54/09/1092505409.db2.gz FDUDXTISOYVDTC-AEFFLSMTSA-N 1 0 317.433 3.164 20 10 DGCDRO CC(C)Oc1ncccc1CC[N@@H+]1CCc2cccc(O)c2C1 ZINC001208800130 1092515617 /nfs/dbraw/zinc/51/56/17/1092515617.db2.gz IMGLCIXCDJQNFJ-UHFFFAOYSA-N 1 0 312.413 3.175 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@@H](C)C(F)(F)F)CC2)c(C)c1 ZINC001208899483 1092574118 /nfs/dbraw/zinc/57/41/18/1092574118.db2.gz GJLVYAKWIUQNGX-CYBMUJFWSA-N 1 0 316.367 3.324 20 10 DGCDRO CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1O ZINC001143116828 1092618462 /nfs/dbraw/zinc/61/84/62/1092618462.db2.gz LRCFTFFMQZNBMB-HIFRSBDPSA-N 1 0 301.430 3.491 20 10 DGCDRO CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)Cc1ccccc1O ZINC001209140420 1092668799 /nfs/dbraw/zinc/66/87/99/1092668799.db2.gz UFASYDMKAWFSEO-UHFFFAOYSA-N 1 0 322.449 3.471 20 10 DGCDRO COC(=O)CC[N@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209519721 1092808350 /nfs/dbraw/zinc/80/83/50/1092808350.db2.gz GRJROAAODBFNRF-UHFFFAOYSA-N 1 0 300.402 3.089 20 10 DGCDRO COc1cccc(C[N@H+](Cc2ccccc2)CC(C)(C)O)c1O ZINC000305779142 1094011109 /nfs/dbraw/zinc/01/11/09/1094011109.db2.gz MZIKLPURCRJCQC-UHFFFAOYSA-N 1 0 315.413 3.174 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC3(F)F)CC2)c1O ZINC000404947528 1094274890 /nfs/dbraw/zinc/27/48/90/1094274890.db2.gz OKHPTGGSCQPJLN-UHFFFAOYSA-N 1 0 313.319 3.355 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCc3ccccc32)c(O)c1OC ZINC001120033977 1094357358 /nfs/dbraw/zinc/35/73/58/1094357358.db2.gz XAWMTDOBUHJLEK-CQSZACIVSA-N 1 0 313.397 3.229 20 10 DGCDRO CC[C@H](C)[C@H]([NH3+])Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217703534 1094477429 /nfs/dbraw/zinc/47/74/29/1094477429.db2.gz NREGOKFEXFWIJD-XJKSGUPXSA-N 1 0 310.401 3.443 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)CCCCC(C)C)cc1C ZINC001135504796 1094553885 /nfs/dbraw/zinc/55/38/85/1094553885.db2.gz JZRGLIORLYTETD-UHFFFAOYSA-N 1 0 320.477 3.426 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC001336284503 1094614859 /nfs/dbraw/zinc/61/48/59/1094614859.db2.gz AEOJCIKOPCDHKM-OALUTQOASA-N 1 0 314.404 3.496 20 10 DGCDRO COc1ccccc1[C@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218194898 1094653001 /nfs/dbraw/zinc/65/30/01/1094653001.db2.gz CMMFJKLYDXVEBS-HNNXBMFYSA-N 1 0 312.413 3.245 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)CC[NH2+]C(C)(C)C)cc1 ZINC001135946095 1094763713 /nfs/dbraw/zinc/76/37/13/1094763713.db2.gz FNCXOVDEECCUKE-UHFFFAOYSA-N 1 0 319.493 3.269 20 10 DGCDRO CC(C)SCC[NH2+]Cc1ccc(Br)cc1O ZINC000691469115 1094943607 /nfs/dbraw/zinc/94/36/07/1094943607.db2.gz WSJTXBLYSAPRPK-UHFFFAOYSA-N 1 0 304.253 3.386 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(O)c1 ZINC001276814097 1095107692 /nfs/dbraw/zinc/10/76/92/1095107692.db2.gz DUHCNQSSSAIXAR-UHFFFAOYSA-N 1 0 318.461 3.099 20 10 DGCDRO COc1ccc(C(C)(C)C[NH2+]Cc2ccc(N)cc2)cc1OC ZINC001337838211 1095112462 /nfs/dbraw/zinc/11/24/62/1095112462.db2.gz KNRLNGLMXGQSDG-UHFFFAOYSA-N 1 0 314.429 3.353 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCC(C)CC2)cc1 ZINC000315741504 1095132627 /nfs/dbraw/zinc/13/26/27/1095132627.db2.gz LTRGGCNOIUJAOO-UHFFFAOYSA-N 1 0 303.494 3.354 20 10 DGCDRO Oc1cccc(C[NH2+][C@H]2CCc3c(Cl)cccc3C2)c1O ZINC001171021313 1095144097 /nfs/dbraw/zinc/14/40/97/1095144097.db2.gz AEZNOLUNXYNYCI-ZDUSSCGKSA-N 1 0 303.789 3.398 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(O)c(OC)c1 ZINC000194972481 1095168742 /nfs/dbraw/zinc/16/87/42/1095168742.db2.gz KCXZNIWHXBEJIX-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO Oc1ccc(CC[NH2+][C@H]2CCc3cc(Cl)ccc3C2)cc1O ZINC001171098873 1095356137 /nfs/dbraw/zinc/35/61/37/1095356137.db2.gz FYGPZSSPKHVHLE-INIZCTEOSA-N 1 0 317.816 3.441 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCC[C@H]2N(C)C)cc1 ZINC001338889953 1095425713 /nfs/dbraw/zinc/42/57/13/1095425713.db2.gz YKYOIVNPXBLVJN-RBUKOAKNSA-N 1 0 303.494 3.495 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166638 1095471602 /nfs/dbraw/zinc/47/16/02/1095471602.db2.gz APMNPTADQVEGGE-GOSISDBHSA-N 1 0 324.415 3.416 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@]3(CCC[NH2+]C3)C2)cc1Cl ZINC001222270982 1095522763 /nfs/dbraw/zinc/52/27/63/1095522763.db2.gz BOZCRPGQAXXSTE-KRWDZBQOSA-N 1 0 324.852 3.020 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCC[C@@]3(CCC[NH2+]C3)C2)c1O ZINC001222278173 1095526790 /nfs/dbraw/zinc/52/67/90/1095526790.db2.gz XMULQZDLUIQKCX-QGZVFWFLSA-N 1 0 308.853 3.320 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001116443587 1095554850 /nfs/dbraw/zinc/55/48/50/1095554850.db2.gz BPCWNSHOLWYHJX-IEBWSBKVSA-N 1 0 300.446 3.288 20 10 DGCDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001116444986 1095555547 /nfs/dbraw/zinc/55/55/47/1095555547.db2.gz KPTWBHNDRFFBDG-HZPDHXFCSA-N 1 0 319.468 3.198 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222360459 1095574112 /nfs/dbraw/zinc/57/41/12/1095574112.db2.gz PTLITXJSCTURAI-HNNXBMFYSA-N 1 0 315.244 3.417 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC(Nc3ccccc3)CC2)c1 ZINC001116484559 1095574402 /nfs/dbraw/zinc/57/44/02/1095574402.db2.gz YVGJQBSPYFYESJ-UHFFFAOYSA-N 1 0 312.413 3.477 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC3(C2)CC[NH2+]C3)cc1Cl ZINC001222385346 1095584242 /nfs/dbraw/zinc/58/42/42/1095584242.db2.gz KNXFKFGITAIPCO-UHFFFAOYSA-N 1 0 308.853 3.138 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385873 1095584616 /nfs/dbraw/zinc/58/46/16/1095584616.db2.gz YWSCJUQXVNWIQV-FQEVSTJZSA-N 1 0 313.489 3.395 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001116720756 1095642005 /nfs/dbraw/zinc/64/20/05/1095642005.db2.gz DYKYEEDJKLPVFH-HXUWFJFHSA-N 1 0 324.468 3.288 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001116720755 1095642507 /nfs/dbraw/zinc/64/25/07/1095642507.db2.gz DYKYEEDJKLPVFH-FQEVSTJZSA-N 1 0 324.468 3.288 20 10 DGCDRO [NH3+]CCc1ccccc1NCc1cc(Br)ccc1O ZINC001171177615 1095647836 /nfs/dbraw/zinc/64/78/36/1095647836.db2.gz FCILIYWZWDMMPN-UHFFFAOYSA-N 1 0 321.218 3.268 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)c(O)c1 ZINC001144509456 1095698246 /nfs/dbraw/zinc/69/82/46/1095698246.db2.gz XBNHXVKVXXEVQO-HNNXBMFYSA-N 1 0 321.323 3.419 20 10 DGCDRO C[N@H+](CCc1ccccc1Cl)Cc1c(O)cc(O)cc1O ZINC001144514667 1095701024 /nfs/dbraw/zinc/70/10/24/1095701024.db2.gz OBOQETKGIQIIHB-UHFFFAOYSA-N 1 0 307.777 3.131 20 10 DGCDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1c(O)ccc(F)c1Cl)C2 ZINC001276837291 1095749597 /nfs/dbraw/zinc/74/95/97/1095749597.db2.gz IIKNUKOBYPTPFZ-INIZCTEOSA-N 1 0 312.816 3.102 20 10 DGCDRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137839251 1095760434 /nfs/dbraw/zinc/76/04/34/1095760434.db2.gz YJBAFUQDGYNQOF-OAHLLOKOSA-N 1 0 314.404 3.410 20 10 DGCDRO COC(=O)CC1C[NH+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137857960 1095770697 /nfs/dbraw/zinc/77/06/97/1095770697.db2.gz QFDHCAWFDPJOST-UHFFFAOYSA-N 1 0 312.413 3.089 20 10 DGCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001117582778 1095782847 /nfs/dbraw/zinc/78/28/47/1095782847.db2.gz BALNORPQUOZHNN-FXAWDEMLSA-N 1 0 313.489 3.345 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c(O)c1 ZINC001117749722 1095833498 /nfs/dbraw/zinc/83/34/98/1095833498.db2.gz AEIGXYVSJGKAAH-WBVHZDCISA-N 1 0 321.461 3.085 20 10 DGCDRO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(F)c1[O-] ZINC001138128357 1095901438 /nfs/dbraw/zinc/90/14/38/1095901438.db2.gz FLIANHQVQQHFHI-HOTGVXAUSA-N 1 0 306.425 3.370 20 10 DGCDRO CC(C)c1nc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC001118019621 1095922880 /nfs/dbraw/zinc/92/28/80/1095922880.db2.gz QENWPBVABQWGJZ-INIZCTEOSA-N 1 0 318.490 3.122 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001118594568 1096043522 /nfs/dbraw/zinc/04/35/22/1096043522.db2.gz UXRYEMPTFYKRJU-UHFFFAOYSA-N 1 0 318.161 3.432 20 10 DGCDRO CCOc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc[nH]2)cc1 ZINC001276925995 1096079468 /nfs/dbraw/zinc/07/94/68/1096079468.db2.gz LHLGYTVBEVSBAN-OALUTQOASA-N 1 0 311.429 3.267 20 10 DGCDRO C[C@@H]([NH2+]CCOCCCO)c1ccc(N2CCCCCC2)cc1 ZINC001340992353 1096088237 /nfs/dbraw/zinc/08/82/37/1096088237.db2.gz QSMGXMPJJKLUMD-QGZVFWFLSA-N 1 0 320.477 3.117 20 10 DGCDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1c(O)cccc1Br ZINC001118855145 1096093803 /nfs/dbraw/zinc/09/38/03/1096093803.db2.gz AKUQCDVVVQVFNS-NSHDSACASA-N 1 0 321.218 3.271 20 10 DGCDRO C/C(=C\c1cccnc1)C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001341253818 1096142088 /nfs/dbraw/zinc/14/20/88/1096142088.db2.gz ALTNLRPSYGHNGB-JMPLCFMRSA-N 1 0 321.424 3.039 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)C2CCCC2)cc1C ZINC001147351044 1096206970 /nfs/dbraw/zinc/20/69/70/1096206970.db2.gz VMRCPEAHUUEGTJ-HNNXBMFYSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(N2CC3(C2)CC[N@@H+](C2CCCC2)C3)cc1F ZINC001277010934 1096326782 /nfs/dbraw/zinc/32/67/82/1096326782.db2.gz ZGTCUPJQCCKZKS-UHFFFAOYSA-N 1 0 304.409 3.289 20 10 DGCDRO CC[C@H](CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001148353720 1096353804 /nfs/dbraw/zinc/35/38/04/1096353804.db2.gz XDKRGJQLXDXCMC-QGZVFWFLSA-N 1 0 320.477 3.282 20 10 DGCDRO Oc1ccc(CC[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)cc1O ZINC001171339355 1096456042 /nfs/dbraw/zinc/45/60/42/1096456042.db2.gz FFEPQHMQIOMYLH-CQSZACIVSA-N 1 0 319.351 3.066 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)cc1O ZINC001171352284 1096522420 /nfs/dbraw/zinc/52/24/20/1096522420.db2.gz XSMLNOMMGCONOK-ZDUSSCGKSA-N 1 0 305.324 3.023 20 10 DGCDRO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1ccc(N(C)C)cc1)CC1CC1 ZINC001171371681 1096546976 /nfs/dbraw/zinc/54/69/76/1096546976.db2.gz YQBKVHVPJRTOOB-IBGZPJMESA-N 1 0 318.461 3.306 20 10 DGCDRO CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001172322041 1097100903 /nfs/dbraw/zinc/10/09/03/1097100903.db2.gz RGEMUVZVNYOFFU-SJORKVTESA-N 1 0 320.477 3.207 20 10 DGCDRO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172347185 1097120687 /nfs/dbraw/zinc/12/06/87/1097120687.db2.gz LJBWNFOBRPSKHC-KGLIPLIRSA-N 1 0 307.434 3.440 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H](C)CCOC(C)C)CC2)cc1 ZINC001172455514 1097159999 /nfs/dbraw/zinc/15/99/99/1097159999.db2.gz UYGGPVSLZIOWIY-KRWDZBQOSA-N 1 0 320.477 3.411 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001172599542 1097191531 /nfs/dbraw/zinc/19/15/31/1097191531.db2.gz IOGJDUHEVITHSE-WBVHZDCISA-N 1 0 313.397 3.367 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172684400 1097207822 /nfs/dbraw/zinc/20/78/22/1097207822.db2.gz YFJFKSPNRVRAAN-GOSISDBHSA-N 1 0 324.424 3.015 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccccc1O ZINC001172670865 1097211471 /nfs/dbraw/zinc/21/14/71/1097211471.db2.gz KCUYAPZBALOKGM-NVXWUHKLSA-N 1 0 324.424 3.234 20 10 DGCDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001172797525 1097253573 /nfs/dbraw/zinc/25/35/73/1097253573.db2.gz IDLDQVIEIHDTCH-GJZGRUSLSA-N 1 0 305.418 3.221 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC001172954167 1097302050 /nfs/dbraw/zinc/30/20/50/1097302050.db2.gz SJHQFBKXOHJFFM-MJGOQNOKSA-N 1 0 318.461 3.165 20 10 DGCDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc(Cl)c(C(C)(C)C)cc3O)[C@@H]2C1 ZINC001277408600 1097361773 /nfs/dbraw/zinc/36/17/73/1097361773.db2.gz UQRRIDGCXDXLCJ-BLLLJJGKSA-N 1 0 322.880 3.479 20 10 DGCDRO COc1ccc(Br)c(C[NH+]2CCCCC2)c1O ZINC001231547829 1097777903 /nfs/dbraw/zinc/77/79/03/1097777903.db2.gz JVUBYGQGCBAEFN-UHFFFAOYSA-N 1 0 300.196 3.149 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)[C@H]1C ZINC001231590349 1097785111 /nfs/dbraw/zinc/78/51/11/1097785111.db2.gz VLNVKRNQAUGCRS-ZFWWWQNUSA-N 1 0 313.397 3.319 20 10 DGCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590058 1097785537 /nfs/dbraw/zinc/78/55/37/1097785537.db2.gz HDVYOGDJVUSPMU-AWEZNQCLSA-N 1 0 313.397 3.321 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1O ZINC001231593429 1097787217 /nfs/dbraw/zinc/78/72/17/1097787217.db2.gz XSMCQEHETYQVRR-QGZVFWFLSA-N 1 0 301.361 3.493 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c1O ZINC001231593943 1097787407 /nfs/dbraw/zinc/78/74/07/1097787407.db2.gz PLDZOXLNHGECOH-KRWDZBQOSA-N 1 0 310.441 3.407 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c(O)c1 ZINC001231841342 1097860318 /nfs/dbraw/zinc/86/03/18/1097860318.db2.gz ALUSTOZCYDBDFR-SJORKVTESA-N 1 0 322.408 3.177 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCC(Oc3ccncc3)CC2)c(O)c1 ZINC001231841953 1097860435 /nfs/dbraw/zinc/86/04/35/1097860435.db2.gz HZTNNDFSOPEGDA-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c(O)c1 ZINC001231842232 1097860644 /nfs/dbraw/zinc/86/06/44/1097860644.db2.gz LCLJSLLSPCSLKC-ZIAGYGMSSA-N 1 0 317.351 3.144 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC001231844791 1097861591 /nfs/dbraw/zinc/86/15/91/1097861591.db2.gz QQZAJANJELFZPI-UHFFFAOYSA-N 1 0 310.441 3.327 20 10 DGCDRO Cc1cc(O)c(CN2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC001231869244 1097870215 /nfs/dbraw/zinc/87/02/15/1097870215.db2.gz NJIHHKLIXCFQJP-UHFFFAOYSA-N 1 0 308.853 3.414 20 10 DGCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870730 1097872323 /nfs/dbraw/zinc/87/23/23/1097872323.db2.gz QRPRCDFEWFHUMN-LBPRGKRZSA-N 1 0 311.809 3.129 20 10 DGCDRO Cc1nc(C2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)no1 ZINC001231870825 1097872667 /nfs/dbraw/zinc/87/26/67/1097872667.db2.gz VAPXBNNZFCFHLG-UHFFFAOYSA-N 1 0 321.808 3.425 20 10 DGCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231881727 1097877068 /nfs/dbraw/zinc/87/70/68/1097877068.db2.gz BHUJYXDVWGFWDW-MRXNPFEDSA-N 1 0 312.413 3.036 20 10 DGCDRO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231882745 1097878889 /nfs/dbraw/zinc/87/88/89/1097878889.db2.gz UJVIVRJDCNTASP-QGZVFWFLSA-N 1 0 313.397 3.463 20 10 DGCDRO Oc1cc(O)c(C[NH+]2CCC3(CCOCC3)CC2)cc1Cl ZINC001232262789 1097984297 /nfs/dbraw/zinc/98/42/97/1097984297.db2.gz QDKRBULDKHLOMX-UHFFFAOYSA-N 1 0 311.809 3.144 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cc1Cl ZINC001232258965 1097985110 /nfs/dbraw/zinc/98/51/10/1097985110.db2.gz FRIZCOGQCVYDFK-GFCCVEGCSA-N 1 0 309.715 3.320 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1Cl ZINC001232266093 1097986865 /nfs/dbraw/zinc/98/68/65/1097986865.db2.gz ISCSGOXMSFRYGQ-BDJLRTHQSA-N 1 0 311.809 3.055 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(OC)cc1C ZINC001232353506 1098012350 /nfs/dbraw/zinc/01/23/50/1098012350.db2.gz BMXSBQKXEFSQMP-UHFFFAOYSA-N 1 0 313.445 3.487 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCCC[C@H]2C)c2ccccc2n1C ZINC001232401039 1098028726 /nfs/dbraw/zinc/02/87/26/1098028726.db2.gz DVPVZUOGQASQFN-CYBMUJFWSA-N 1 0 300.402 3.339 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC001232838131 1098149293 /nfs/dbraw/zinc/14/92/93/1098149293.db2.gz AXANZAKQIRXGKA-IBGZPJMESA-N 1 0 312.413 3.032 20 10 DGCDRO Oc1cc(C[NH+]2CCC(c3cccs3)CC2)cc(O)c1O ZINC001233014016 1098204347 /nfs/dbraw/zinc/20/43/47/1098204347.db2.gz WRCCWFPFUOBHNN-UHFFFAOYSA-N 1 0 305.399 3.245 20 10 DGCDRO Cc1noc([C@@H]2CC[N@H+](Cc3cc(C(C)(C)C)ccc3O)C2)n1 ZINC001233286727 1098276548 /nfs/dbraw/zinc/27/65/48/1098276548.db2.gz GUJHQVOSOPYBCX-CYBMUJFWSA-N 1 0 315.417 3.371 20 10 DGCDRO CCCC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233417638 1098323756 /nfs/dbraw/zinc/32/37/56/1098323756.db2.gz BUIDWLNTSAEHAZ-UHFFFAOYSA-N 1 0 316.367 3.329 20 10 DGCDRO C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418236 1098324187 /nfs/dbraw/zinc/32/41/87/1098324187.db2.gz YLCJCQRYNLWXPJ-UHFFFAOYSA-N 1 0 316.367 3.329 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001233451811 1098338149 /nfs/dbraw/zinc/33/81/49/1098338149.db2.gz AASSMWYKPCILHK-CQSZACIVSA-N 1 0 301.308 3.023 20 10 DGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233451906 1098338196 /nfs/dbraw/zinc/33/81/96/1098338196.db2.gz CYTXMTJCVRWSHE-ZDUSSCGKSA-N 1 0 303.324 3.412 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001233451887 1098338871 /nfs/dbraw/zinc/33/88/71/1098338871.db2.gz CNRXKIJBUZEJGV-OAHLLOKOSA-N 1 0 315.335 3.414 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1O ZINC001233483050 1098345335 /nfs/dbraw/zinc/34/53/35/1098345335.db2.gz MDXGDXFJAUKIRA-CQSZACIVSA-N 1 0 303.333 3.280 20 10 DGCDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1cc(O)c(O)cc1O ZINC001233486974 1098347895 /nfs/dbraw/zinc/34/78/95/1098347895.db2.gz KGEWMVXBMLTOID-UHFFFAOYSA-N 1 0 307.777 3.479 20 10 DGCDRO CCCC(=O)c1cc(O)c(O)cc1OC1CC[NH+](C2CC2)CC1 ZINC001233494410 1098350392 /nfs/dbraw/zinc/35/03/92/1098350392.db2.gz BVNPHVPMCXLWPV-UHFFFAOYSA-N 1 0 319.401 3.086 20 10 DGCDRO COC(=O)C[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)C(C)(C)C ZINC001176463478 1098358120 /nfs/dbraw/zinc/35/81/20/1098358120.db2.gz HDQPPTGRWRDFHP-MRXNPFEDSA-N 1 0 306.450 3.128 20 10 DGCDRO CCCO[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233755574 1098423027 /nfs/dbraw/zinc/42/30/27/1098423027.db2.gz WJDUPQNTUGXOQY-LBPRGKRZSA-N 1 0 319.323 3.292 20 10 DGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]21 ZINC001233761788 1098425419 /nfs/dbraw/zinc/42/54/19/1098425419.db2.gz YXCKTCBVUZSYFF-PHIMTYICSA-N 1 0 301.308 3.379 20 10 DGCDRO COc1ccccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001177315149 1098515274 /nfs/dbraw/zinc/51/52/74/1098515274.db2.gz MAAUKMMLAKCXSK-UHFFFAOYSA-N 1 0 311.429 3.059 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC(=O)NC2CCCCC2)cc1C ZINC001177707525 1098590039 /nfs/dbraw/zinc/59/00/39/1098590039.db2.gz MEWSEANTUDXXEG-UHFFFAOYSA-N 1 0 318.461 3.322 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC001177827732 1098609258 /nfs/dbraw/zinc/60/92/58/1098609258.db2.gz CLYMPWRSFWXHTB-KRWDZBQOSA-N 1 0 312.388 3.449 20 10 DGCDRO CC[NH+]1CCN(c2ccc(OC3CCSCC3)cc2)CC1 ZINC001234657518 1098634978 /nfs/dbraw/zinc/63/49/78/1098634978.db2.gz DKLVOUUPYOKCAO-UHFFFAOYSA-N 1 0 306.475 3.103 20 10 DGCDRO CCCOC[C@@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657044 1098635253 /nfs/dbraw/zinc/63/52/53/1098635253.db2.gz AEQMRNPRTVJLNR-MRXNPFEDSA-N 1 0 306.450 3.022 20 10 DGCDRO Oc1c(CN2CC[N@@H+]3CCC[C@@H]3C2)cccc1-c1ccccc1 ZINC001234995583 1098738608 /nfs/dbraw/zinc/73/86/08/1098738608.db2.gz NXQYFUSDYRKKDF-GOSISDBHSA-N 1 0 308.425 3.339 20 10 DGCDRO Oc1c(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)cccc1-c1ccccc1 ZINC001235002486 1098745265 /nfs/dbraw/zinc/74/52/65/1098745265.db2.gz QNZSWAHSSBFSKL-QZTJIDSGSA-N 1 0 315.388 3.354 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235116153 1098815533 /nfs/dbraw/zinc/81/55/33/1098815533.db2.gz DSWPSRQNHLBIEL-LJQANCHMSA-N 1 0 302.462 3.408 20 10 DGCDRO CN(C)c1ccc(CN2CCCC[C@@]23CC[NH2+]C3)c(Cl)c1 ZINC001235121695 1098821791 /nfs/dbraw/zinc/82/17/91/1098821791.db2.gz RIUDDFGFESVXTH-KRWDZBQOSA-N 1 0 307.869 3.124 20 10 DGCDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152216 1098836719 /nfs/dbraw/zinc/83/67/19/1098836719.db2.gz DUOSYKWDHWBSLQ-MRXNPFEDSA-N 1 0 310.388 3.025 20 10 DGCDRO COc1cc(O)c(CN2CCCC[C@]23CCC[NH2+]C3)c(Cl)c1 ZINC001235178921 1098861165 /nfs/dbraw/zinc/86/11/65/1098861165.db2.gz PVLRJYMLIGLAKA-QGZVFWFLSA-N 1 0 324.852 3.162 20 10 DGCDRO [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235338224 1098961972 /nfs/dbraw/zinc/96/19/72/1098961972.db2.gz DQSLADPEUPYRCN-UHFFFAOYSA-N 1 0 315.244 3.130 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C(C)C)C2CC2)cc1Cn1cccn1 ZINC001179205601 1099036062 /nfs/dbraw/zinc/03/60/62/1099036062.db2.gz RRJUOHSCWPVKIR-LJQANCHMSA-N 1 0 313.445 3.464 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235673870 1099116100 /nfs/dbraw/zinc/11/61/00/1099116100.db2.gz ASELAOOWEHHXGK-UKRRQHHQSA-N 1 0 319.445 3.463 20 10 DGCDRO CC(C)(C)c1ccc(C[NH+]2CC(N3CCC(F)CC3)C2)c(O)c1 ZINC001235681121 1099124840 /nfs/dbraw/zinc/12/48/40/1099124840.db2.gz YJXZYAOAPODXQD-UHFFFAOYSA-N 1 0 320.452 3.308 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCN3CCCC[C@H]3C2)c(O)c1 ZINC001235683367 1099126563 /nfs/dbraw/zinc/12/65/63/1099126563.db2.gz DXCBIVSBHUDRQL-KRWDZBQOSA-N 1 0 302.462 3.360 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235683384 1099126757 /nfs/dbraw/zinc/12/67/57/1099126757.db2.gz FKAUYQXHXVALIE-OAHLLOKOSA-N 1 0 319.445 3.465 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3nonc3c2)c(Cl)c1 ZINC001179752434 1099199009 /nfs/dbraw/zinc/19/90/09/1099199009.db2.gz TUUGAJGWOABPIO-UHFFFAOYSA-N 1 0 303.749 3.180 20 10 DGCDRO Cc1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)o1 ZINC001179755771 1099200230 /nfs/dbraw/zinc/20/02/30/1099200230.db2.gz SJIIJLXMAATIQA-IBGZPJMESA-N 1 0 315.461 3.355 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCN[C@@H](c4ccccc4)C3)ccc21 ZINC001235859248 1099220474 /nfs/dbraw/zinc/22/04/74/1099220474.db2.gz LWVMLTQGRLADMU-HXUWFJFHSA-N 1 0 321.468 3.216 20 10 DGCDRO CC(C)N(CC[NH3+])Cc1ccc(OCc2ccccc2)cc1O ZINC001235948151 1099281065 /nfs/dbraw/zinc/28/10/65/1099281065.db2.gz VFXQGIBXFHPVSQ-UHFFFAOYSA-N 1 0 314.429 3.140 20 10 DGCDRO CCN(Cc1cc(-c2ccc(F)cc2)ccc1O)[C@H]1CC[NH2+]C1 ZINC001235973619 1099301419 /nfs/dbraw/zinc/30/14/19/1099301419.db2.gz DTCKRTPROAWGKG-SFHVURJKSA-N 1 0 314.404 3.382 20 10 DGCDRO CC[NH+](CC)CC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001180391288 1099393258 /nfs/dbraw/zinc/39/32/58/1099393258.db2.gz NRSHWIANUKHFPF-SFHVURJKSA-N 1 0 318.461 3.090 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC001180429511 1099402953 /nfs/dbraw/zinc/40/29/53/1099402953.db2.gz BPTLFYBNIGRISO-ROUUACIJSA-N 1 0 304.478 3.290 20 10 DGCDRO Cc1ccc(C)c(CN2CC[NH2+]C[C@H]2c2cccs2)c1O ZINC001236116979 1099404861 /nfs/dbraw/zinc/40/48/61/1099404861.db2.gz QGFAMDQZQHEDLV-HNNXBMFYSA-N 1 0 302.443 3.217 20 10 DGCDRO CCc1ccc(CN2CC[NH2+]C[C@@H]2c2cccs2)c(O)c1 ZINC001236117288 1099406254 /nfs/dbraw/zinc/40/62/54/1099406254.db2.gz SGTLHGNWIUJZNQ-OAHLLOKOSA-N 1 0 302.443 3.163 20 10 DGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCCCC2)cc1 ZINC001236130330 1099417164 /nfs/dbraw/zinc/41/71/64/1099417164.db2.gz CEHSJYJFUAAIDJ-LJQANCHMSA-N 1 0 301.478 3.251 20 10 DGCDRO CCN(CC)c1ccc(CN(C)[C@@H]2CCCC[C@H]2[NH3+])c(OC)c1 ZINC001236219422 1099475405 /nfs/dbraw/zinc/47/54/05/1099475405.db2.gz VZMSYPYNDVYDIZ-QZTJIDSGSA-N 1 0 319.493 3.243 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236242859 1099496609 /nfs/dbraw/zinc/49/66/09/1099496609.db2.gz ZPVMEBORYCLERF-GFCCVEGCSA-N 1 0 315.244 3.415 20 10 DGCDRO C[C@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H](C)[NH2+]1 ZINC001236425291 1099599528 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CCc1ccc(C[NH+]2CCN(CCc3ccccc3)CC2)c(O)c1 ZINC001236785786 1099783965 /nfs/dbraw/zinc/78/39/65/1099783965.db2.gz AAZMRTMCPHGOMZ-UHFFFAOYSA-N 1 0 324.468 3.315 20 10 DGCDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]2C1 ZINC001236790959 1099787045 /nfs/dbraw/zinc/78/70/45/1099787045.db2.gz WUZBVSAIPOXSIE-PWSUYJOCSA-N 1 0 315.244 3.083 20 10 DGCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(CC)cc2O)C1 ZINC001236793492 1099787999 /nfs/dbraw/zinc/78/79/99/1099787999.db2.gz WXFWRJRIWHWPSP-INIZCTEOSA-N 1 0 305.418 3.120 20 10 DGCDRO CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(O)c1 ZINC001236791076 1099788401 /nfs/dbraw/zinc/78/84/01/1099788401.db2.gz CRMHABPJNYHHEZ-PMACEKPBSA-N 1 0 322.452 3.413 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001236796518 1099790343 /nfs/dbraw/zinc/79/03/43/1099790343.db2.gz WWFRNIVQUGQKCI-BDJLRTHQSA-N 1 0 311.809 3.055 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001236796875 1099791432 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O=C1NCCCC12CC[NH+](Cc1cc3ccccc3cc1O)CC2 ZINC001236831291 1099817751 /nfs/dbraw/zinc/81/77/51/1099817751.db2.gz GHHADFAJDUZJBR-UHFFFAOYSA-N 1 0 324.424 3.038 20 10 DGCDRO CCC(=O)NC1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236842522 1099826414 /nfs/dbraw/zinc/82/64/14/1099826414.db2.gz WSEYRISPGCLSNO-UHFFFAOYSA-N 1 0 312.413 3.036 20 10 DGCDRO COC(=O)C1(C[NH2+]Cc2cc(C(C)C)ccc2O)CCCC1 ZINC001205391980 1099847313 /nfs/dbraw/zinc/84/73/13/1099847313.db2.gz YEUVSZMKODPDFN-UHFFFAOYSA-N 1 0 305.418 3.339 20 10 DGCDRO COc1cc2c(cn1)CC[N@H+](Cc1ccc(C(C)C)cc1O)C2 ZINC001237050658 1099944403 /nfs/dbraw/zinc/94/44/03/1099944403.db2.gz DPAMMZNIGYINKB-UHFFFAOYSA-N 1 0 312.413 3.478 20 10 DGCDRO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237054760 1099947684 /nfs/dbraw/zinc/94/76/84/1099947684.db2.gz GGJLCMZDWJBTRT-QGZVFWFLSA-N 1 0 318.461 3.252 20 10 DGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]21 ZINC001237058003 1099951206 /nfs/dbraw/zinc/95/12/06/1099951206.db2.gz HLHRRNZWEVUZQU-BETUJISGSA-N 1 0 315.335 3.421 20 10 DGCDRO [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001237085266 1099965391 /nfs/dbraw/zinc/96/53/91/1099965391.db2.gz WZCGOWYURFZBLB-AWEZNQCLSA-N 1 0 302.201 3.454 20 10 DGCDRO Cc1cc(CN2CC(F)(F)C[C@H]2C[NH3+])c(C)n1-c1ccccc1 ZINC001237116594 1099979782 /nfs/dbraw/zinc/97/97/82/1099979782.db2.gz BBEGXOLJJDKKPA-KRWDZBQOSA-N 1 0 319.399 3.262 20 10 DGCDRO CC1(C)C[N@H+](Cc2c(O)ccc(F)c2Cl)[C@](C)(CO)C1 ZINC001237121393 1099982290 /nfs/dbraw/zinc/98/22/90/1099982290.db2.gz MFFFQDJUYXNWRM-HNNXBMFYSA-N 1 0 301.789 3.168 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CCC([NH+]2CCCC2)CC1 ZINC001237122501 1099982391 /nfs/dbraw/zinc/98/23/91/1099982391.db2.gz VGFVTNISLLUORG-UHFFFAOYSA-N 1 0 312.816 3.245 20 10 DGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001237127784 1099984491 /nfs/dbraw/zinc/98/44/91/1099984491.db2.gz FLAZPPYNWWJJMO-LBPRGKRZSA-N 1 0 313.800 3.433 20 10 DGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001237131169 1099986310 /nfs/dbraw/zinc/98/63/10/1099986310.db2.gz UMXRGYJSSSGTDF-GFCCVEGCSA-N 1 0 322.767 3.233 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001237139962 1099989979 /nfs/dbraw/zinc/98/99/79/1099989979.db2.gz SARPDAPYXRHVPE-AWEZNQCLSA-N 1 0 314.351 3.081 20 10 DGCDRO CCO[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138778 1099990401 /nfs/dbraw/zinc/99/04/01/1099990401.db2.gz GNKVWDKOTGEVPA-ZDUSSCGKSA-N 1 0 303.324 3.412 20 10 DGCDRO CO[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237139425 1099990436 /nfs/dbraw/zinc/99/04/36/1099990436.db2.gz FFBKKLHMRCYOEX-ZDUSSCGKSA-N 1 0 303.324 3.412 20 10 DGCDRO CC[N@H+](C)C1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237143765 1099993696 /nfs/dbraw/zinc/99/36/96/1099993696.db2.gz MDTABRJXJHBQFI-UHFFFAOYSA-N 1 0 316.367 3.327 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1OC=CC1=S ZINC001237180010 1100017847 /nfs/dbraw/zinc/01/78/47/1100017847.db2.gz WKZOXTAXDLCHLR-UHFFFAOYSA-N 1 0 318.442 3.037 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3OC=CC3=S)CC2)c(C)c1 ZINC001237186680 1100023500 /nfs/dbraw/zinc/02/35/00/1100023500.db2.gz NHSDQAMSRGXRHC-UHFFFAOYSA-N 1 0 318.442 3.208 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCNC3=CCCC[C@H]32)c(O)c1 ZINC001237224247 1100038369 /nfs/dbraw/zinc/03/83/69/1100038369.db2.gz CCGPLATWFSMZRE-GOSISDBHSA-N 1 0 315.461 3.080 20 10 DGCDRO CCCc1noc(C2CC[NH+](Cc3c(C)cccc3O)CC2)n1 ZINC001237488021 1100141086 /nfs/dbraw/zinc/14/10/86/1100141086.db2.gz PIWFSKCFSVVNDV-UHFFFAOYSA-N 1 0 315.417 3.416 20 10 DGCDRO Cc1cccc(O)c1C[NH+](CCOC(C)C)CCOC(C)C ZINC001237489081 1100141832 /nfs/dbraw/zinc/14/18/32/1100141832.db2.gz DUKLBMNJZKSHKV-UHFFFAOYSA-N 1 0 309.450 3.353 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237489451 1100141964 /nfs/dbraw/zinc/14/19/64/1100141964.db2.gz HVFUCTDZZBUKQC-AWEZNQCLSA-N 1 0 320.433 3.142 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001237622662 1100191768 /nfs/dbraw/zinc/19/17/68/1100191768.db2.gz WLNXZNCASZASHL-UHFFFAOYSA-N 1 0 307.752 3.449 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001237648228 1100200981 /nfs/dbraw/zinc/20/09/81/1100200981.db2.gz YQVJTPZYQBBNSS-HNAYVOBHSA-N 1 0 313.372 3.419 20 10 DGCDRO Cc1cc(O)c(CN2[C@@H]3CC[C@H]2CC(=O)C3)cc1Br ZINC001237682544 1100213178 /nfs/dbraw/zinc/21/31/78/1100213178.db2.gz YNHABWXOFDRBRG-TXEJJXNPSA-N 1 0 324.218 3.159 20 10 DGCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237687246 1100215112 /nfs/dbraw/zinc/21/51/12/1100215112.db2.gz WFEMNKQWEDPAEP-NEPJUHHUSA-N 1 0 311.809 3.128 20 10 DGCDRO COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001237887623 1100282825 /nfs/dbraw/zinc/28/28/25/1100282825.db2.gz TVCBFNCBZOFEDM-UHFFFAOYSA-N 1 0 323.396 3.282 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1O ZINC001238065260 1100348018 /nfs/dbraw/zinc/34/80/18/1100348018.db2.gz SRZBPRWKSRXITL-IRXDYDNUSA-N 1 0 311.356 3.252 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(N(C)C)cc1 ZINC001191058323 1100389240 /nfs/dbraw/zinc/38/92/40/1100389240.db2.gz PIRQPFRFPQKXJJ-GOSISDBHSA-N 1 0 323.484 3.459 20 10 DGCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001195113831 1101073925 /nfs/dbraw/zinc/07/39/25/1101073925.db2.gz PUYZXAMXFGSRSJ-GOSISDBHSA-N 1 0 323.484 3.459 20 10 DGCDRO C[NH+](C)C1CN(C(=O)c2ccccc2NN=C2C=CC(=O)C=C2)C1 ZINC001195255265 1101106307 /nfs/dbraw/zinc/10/63/07/1101106307.db2.gz PPBMOSQRQAHMLS-FMQUCBEESA-N 1 0 324.384 3.194 20 10 DGCDRO Cn1ccc2c1cccc2-c1ccc2c([C@H]3CCC[NH2+]3)nnn2c1 ZINC001241821901 1101728715 /nfs/dbraw/zinc/72/87/15/1101728715.db2.gz OPZKXEJRTGLYKP-MRXNPFEDSA-N 1 0 317.396 3.313 20 10 DGCDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(C)c1O ZINC001273770133 1101955906 /nfs/dbraw/zinc/95/59/06/1101955906.db2.gz PCYVCUSYUVAZOV-DJIMGWMZSA-N 1 0 316.445 3.064 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H](C(=O)OC)C[C@H](C)C2)cc1 ZINC001203942371 1102212564 /nfs/dbraw/zinc/21/25/64/1102212564.db2.gz MXYKQHATWAPQBL-DOTOQJQBSA-N 1 0 318.461 3.164 20 10 DGCDRO CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001199821866 1102225724 /nfs/dbraw/zinc/22/57/24/1102225724.db2.gz BAKMXZTZHBJILG-FUHWJXTLSA-N 1 0 302.462 3.364 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001201610393 1102671763 /nfs/dbraw/zinc/67/17/63/1102671763.db2.gz UMYQPEHLQIWGPE-UHFFFAOYSA-N 1 0 310.441 3.450 20 10 DGCDRO CCC[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001201652602 1102686521 /nfs/dbraw/zinc/68/65/21/1102686521.db2.gz RRORMWAZCZGKAV-UHFFFAOYSA-N 1 0 311.429 3.193 20 10 DGCDRO COC1([C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001325792900 1103126842 /nfs/dbraw/zinc/12/68/42/1103126842.db2.gz HWWVGWDDEHAWFJ-SOUVJXGZSA-N 1 0 319.445 3.423 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC001326323746 1103272801 /nfs/dbraw/zinc/27/28/01/1103272801.db2.gz MTVJYZMTVVWSPF-IBGZPJMESA-N 1 0 300.446 3.288 20 10 DGCDRO C[C@H](O)[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001327263995 1103606225 /nfs/dbraw/zinc/60/62/25/1103606225.db2.gz NRICZDYLHXESRX-JXFKEZNVSA-N 1 0 310.441 3.499 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)ccc1OC ZINC001328063483 1103826008 /nfs/dbraw/zinc/82/60/08/1103826008.db2.gz YRNVNBHGROUEEO-QDMKHBRRSA-N 1 0 311.372 3.365 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1F ZINC001328688191 1104021728 /nfs/dbraw/zinc/02/17/28/1104021728.db2.gz HCYYAZGYSLFSSI-DLBZAZTESA-N 1 0 310.388 3.078 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCCc2ccccn2)cc1F ZINC001328687949 1104022125 /nfs/dbraw/zinc/02/21/25/1104022125.db2.gz DOFGYJNVEUTPFE-UHFFFAOYSA-N 1 0 305.372 3.148 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1F ZINC001328688002 1104022209 /nfs/dbraw/zinc/02/22/09/1104022209.db2.gz FYRHLTSROKDMAH-CSMYWGQOSA-N 1 0 322.399 3.078 20 10 DGCDRO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2c(C)cccc2O)C1=O ZINC001274301634 1104346988 /nfs/dbraw/zinc/34/69/88/1104346988.db2.gz SGSHIUJDRHUIOV-IBGZPJMESA-N 1 0 316.445 3.068 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1Cc2ccccc2NC1=O ZINC001329755016 1104379547 /nfs/dbraw/zinc/37/95/47/1104379547.db2.gz PGSHFRLEBQCVIZ-WQVCFCJDSA-N 1 0 322.408 3.402 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1C ZINC001246345510 1104500557 /nfs/dbraw/zinc/50/05/57/1104500557.db2.gz IQFKAPNPBBZPOB-PMACEKPBSA-N 1 0 324.468 3.457 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246525855 1104578123 /nfs/dbraw/zinc/57/81/23/1104578123.db2.gz OJAFNCRIJAZNFW-LBTNJELSSA-N 1 0 302.462 3.363 20 10 DGCDRO FC(F)[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001330702024 1104623145 /nfs/dbraw/zinc/62/31/45/1104623145.db2.gz PZTLRTGXUBXXEL-INIZCTEOSA-N 1 0 310.388 3.143 20 10 DGCDRO Cc1ccc(O)c(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c1 ZINC001275312013 1104718078 /nfs/dbraw/zinc/71/80/78/1104718078.db2.gz YMPZDOYXBVKANK-MAUKXSAKSA-N 1 0 300.446 3.149 20 10 DGCDRO Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c(O)c1 ZINC001276169771 1105035856 /nfs/dbraw/zinc/03/58/56/1105035856.db2.gz WAYSWORNTFQXIK-ROUUACIJSA-N 1 0 300.446 3.292 20 10 DGCDRO C[C@@H]1COCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249223810 1105249547 /nfs/dbraw/zinc/24/95/47/1105249547.db2.gz NFDHGVFHCYSGRH-ZDUSSCGKSA-N 1 0 303.402 3.045 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@H]4OCC[C@@H]4C3)ccc2O1 ZINC001249252007 1105256804 /nfs/dbraw/zinc/25/68/04/1105256804.db2.gz DXLIHRADUUAUKC-CZUORRHYSA-N 1 0 315.413 3.187 20 10 DGCDRO [NH3+][C@H](Cc1nc(-c2ccccc2Cl)no1)c1ccccc1O ZINC001249339647 1105271745 /nfs/dbraw/zinc/27/17/45/1105271745.db2.gz PWIHBVQPZHNJAT-CYBMUJFWSA-N 1 0 315.760 3.338 20 10 DGCDRO Cc1ncc(C[N@H+](C)Cc2ccccc2O)c(C(F)(F)F)n1 ZINC001249400275 1105279488 /nfs/dbraw/zinc/27/94/88/1105279488.db2.gz OZHCWYXWIVJPGO-UHFFFAOYSA-N 1 0 311.307 3.141 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2CC(C)(C)C2)cc1C ZINC001491445482 1105827371 /nfs/dbraw/zinc/82/73/71/1105827371.db2.gz WDKNHFGHFDXELC-AWEZNQCLSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@@H](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001491441023 1105827391 /nfs/dbraw/zinc/82/73/91/1105827391.db2.gz IFSLILXCLHYHBC-UKRRQHHQSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)C(C)C)cc1C ZINC001491471428 1105831836 /nfs/dbraw/zinc/83/18/36/1105831836.db2.gz WNJMBUANTUEUCZ-HNNXBMFYSA-N 1 0 320.477 3.280 20 10 DGCDRO O=C1C[C@H]2CC([NH2+]Cc3ccc(Br)cc3O)C[C@@H]2C1 ZINC001254934891 1106156936 /nfs/dbraw/zinc/15/69/36/1106156936.db2.gz LUSWDMPPTUQTQP-GHMZBOCLSA-N 1 0 324.218 3.002 20 10 DGCDRO Oc1ccccc1CN1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC001255015777 1106166087 /nfs/dbraw/zinc/16/60/87/1106166087.db2.gz HGEFOHSFRJSWDY-UHFFFAOYSA-N 1 0 322.452 3.114 20 10 DGCDRO Oc1ccc(CC[NH2+]C2CCC(C(F)(F)F)CC2)cc1O ZINC001255507282 1106260758 /nfs/dbraw/zinc/26/07/58/1106260758.db2.gz HPVYBSPXGGYHTN-UHFFFAOYSA-N 1 0 303.324 3.351 20 10 DGCDRO COc1cccc2c1CC[C@H]([N@@H+]1CCc3cccc(O)c3C1)C2 ZINC001256655589 1106464274 /nfs/dbraw/zinc/46/42/74/1106464274.db2.gz YQRFJBCHEHKCRJ-INIZCTEOSA-N 1 0 309.409 3.316 20 10 DGCDRO CCC[C@@H](CC)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001257272542 1106559997 /nfs/dbraw/zinc/55/99/97/1106559997.db2.gz XYQAKESJUJERBF-OAHLLOKOSA-N 1 0 306.450 3.405 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H]3CCCSC3)CC2)cc1 ZINC001257682914 1106621559 /nfs/dbraw/zinc/62/15/59/1106621559.db2.gz KRJRZECSMDLIAV-INIZCTEOSA-N 1 0 306.475 3.103 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257967582 1106652628 /nfs/dbraw/zinc/65/26/28/1106652628.db2.gz CGMYRUYBFWUMOJ-HNNXBMFYSA-N 1 0 303.789 3.481 20 10 DGCDRO COC(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001258351581 1106721521 /nfs/dbraw/zinc/72/15/21/1106721521.db2.gz SNCWVYPGFFZHEF-OAHLLOKOSA-N 1 0 304.434 3.108 20 10 DGCDRO CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258649299 1106879252 /nfs/dbraw/zinc/87/92/52/1106879252.db2.gz ZACUILPFZZCEME-VQIMIIECSA-N 1 0 315.413 3.132 20 10 DGCDRO CCC[C@H](Cc1ccccc1)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258651799 1106881004 /nfs/dbraw/zinc/88/10/04/1106881004.db2.gz ZZEMKZLNVZDOBX-MRXNPFEDSA-N 1 0 315.413 3.347 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC(C)C)cc1C ZINC001320333219 1106965957 /nfs/dbraw/zinc/96/59/57/1106965957.db2.gz OQQAQNBKTHWKSX-HNNXBMFYSA-N 1 0 306.450 3.034 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC001320411748 1106998865 /nfs/dbraw/zinc/99/88/65/1106998865.db2.gz SZMYEUKPIFDJQU-BFJAYTPKSA-N 1 0 300.446 3.321 20 10 DGCDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320498117 1107028009 /nfs/dbraw/zinc/02/80/09/1107028009.db2.gz QYEVYZOUEVLFRV-OAHLLOKOSA-N 1 0 307.457 3.055 20 10 DGCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001321101279 1107249619 /nfs/dbraw/zinc/24/96/19/1107249619.db2.gz QRFLBRLSGNFSFO-JKSUJKDBSA-N 1 0 319.468 3.103 20 10 DGCDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001321650993 1107404705 /nfs/dbraw/zinc/40/47/05/1107404705.db2.gz RUQWAAJLISPWDS-INIZCTEOSA-N 1 0 312.461 3.218 20 10 DGCDRO C[C@H](CO)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001261509646 1107456747 /nfs/dbraw/zinc/45/67/47/1107456747.db2.gz YPLNBEXVTHEFBK-MRXNPFEDSA-N 1 0 302.462 3.127 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001261790750 1107530677 /nfs/dbraw/zinc/53/06/77/1107530677.db2.gz UEPALRBXGMRBHA-SNPRPXQTSA-N 1 0 315.413 3.490 20 10 DGCDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc3c(cc1O)CCC3)C2 ZINC001322141558 1107537872 /nfs/dbraw/zinc/53/78/72/1107537872.db2.gz QDZCTENUDWEZEK-UHFFFAOYSA-N 1 0 310.353 3.305 20 10 DGCDRO COc1ccc(C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)c(O)c1 ZINC001322417455 1107668397 /nfs/dbraw/zinc/66/83/97/1107668397.db2.gz NNHXWWJHFLRSSN-LLVKDONJSA-N 1 0 318.442 3.272 20 10 DGCDRO CC[C@H](C)CC(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001323435907 1107974985 /nfs/dbraw/zinc/97/49/85/1107974985.db2.gz QCWJTAUCUBKMAB-AWEZNQCLSA-N 1 0 318.461 3.178 20 10 DGCDRO CCC[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000378930403 1108003798 /nfs/dbraw/zinc/00/37/98/1108003798.db2.gz XMSYADWAJMZLLC-UHFFFAOYSA-N 1 0 301.478 3.251 20 10 DGCDRO CC[C@@H](CNC(=O)C1CC(C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318511867 1108070065 /nfs/dbraw/zinc/07/00/65/1108070065.db2.gz LKLMCNYSNGQBLO-IMRCBTMISA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2(C)CCC2)cc1C ZINC001319225380 1108373437 /nfs/dbraw/zinc/37/34/37/1108373437.db2.gz OVBDQLOXKZKIKA-AWEZNQCLSA-N 1 0 318.461 3.036 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC001324655199 1108405524 /nfs/dbraw/zinc/40/55/24/1108405524.db2.gz ZGFPOUCEKIYWHZ-HXUWFJFHSA-N 1 0 313.489 3.393 20 10 DGCDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC001319713252 1108606240 /nfs/dbraw/zinc/60/62/40/1108606240.db2.gz VLSSJPSWGVDVJA-IAGOWNOFSA-N 1 0 301.478 3.201 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1c(C)c(C)n[nH]c1=O ZINC001325356452 1108630891 /nfs/dbraw/zinc/63/08/91/1108630891.db2.gz KVGMQPZERFDJCO-QMTHXVAHSA-N 1 0 313.401 3.151 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)cc1OC ZINC001319798293 1108638897 /nfs/dbraw/zinc/63/88/97/1108638897.db2.gz GYOZZKCQPPTATP-OLZOCXBDSA-N 1 0 311.447 3.125 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)cc1OC ZINC001319798292 1108638973 /nfs/dbraw/zinc/63/89/73/1108638973.db2.gz GYOZZKCQPPTATP-CHWSQXEVSA-N 1 0 311.447 3.125 20 10 DGCDRO c1nc(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)c[nH]1 ZINC001319823632 1108652074 /nfs/dbraw/zinc/65/20/74/1108652074.db2.gz RRVNEOFPFUQKQO-UHFFFAOYSA-N 1 0 310.445 3.390 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC001319849240 1108662140 /nfs/dbraw/zinc/66/21/40/1108662140.db2.gz PRCPFQKJBCLYMK-CVEARBPZSA-N 1 0 317.477 3.052 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001319849241 1108662784 /nfs/dbraw/zinc/66/27/84/1108662784.db2.gz PRCPFQKJBCLYMK-HOTGVXAUSA-N 1 0 317.477 3.052 20 10 DGCDRO CC[C@H](C)[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001289599750 1110216072 /nfs/dbraw/zinc/21/60/72/1110216072.db2.gz IHLIBVRCCZFOOB-RLFYNMQTSA-N 1 0 319.493 3.154 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC001308335706 1111418497 /nfs/dbraw/zinc/41/84/97/1111418497.db2.gz MAJXJPGSFQILKN-INIZCTEOSA-N 1 0 320.440 3.250 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ncccc1N(C)C ZINC001308420815 1111427282 /nfs/dbraw/zinc/42/72/82/1111427282.db2.gz LGQMPQLNUILLAR-UHFFFAOYSA-N 1 0 308.429 3.238 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC001308442014 1111429502 /nfs/dbraw/zinc/42/95/02/1111429502.db2.gz RZMJPSYYKHUISE-LBPRGKRZSA-N 1 0 319.788 3.365 20 10 DGCDRO CCOc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC001308670264 1111458417 /nfs/dbraw/zinc/45/84/17/1111458417.db2.gz PBFKQBYKYDHTGW-UHFFFAOYSA-N 1 0 318.417 3.255 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c(O)c1 ZINC001308758416 1111471120 /nfs/dbraw/zinc/47/11/20/1111471120.db2.gz SGYYLSANQTUSGM-GJZGRUSLSA-N 1 0 307.434 3.225 20 10 DGCDRO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001308787236 1111475032 /nfs/dbraw/zinc/47/50/32/1111475032.db2.gz ZXJNPJCYUBNHNP-GOSISDBHSA-N 1 0 317.816 3.182 20 10 DGCDRO COC(=O)[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)CC(C)C ZINC001308793771 1111475677 /nfs/dbraw/zinc/47/56/77/1111475677.db2.gz HBEOOBHQYXZDSD-DKRLNXSXSA-N 1 0 318.461 3.191 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCN(C3CC3)C[C@H](C)C2)c1 ZINC001308792425 1111475944 /nfs/dbraw/zinc/47/59/44/1111475944.db2.gz JLGWXGBGSMLZKY-OAHLLOKOSA-N 1 0 302.462 3.432 20 10 DGCDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)C2 ZINC001308804498 1111477226 /nfs/dbraw/zinc/47/72/26/1111477226.db2.gz RPQVXZLWWNMIAI-SFHVURJKSA-N 1 0 310.441 3.463 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CC3CCC2CC3)c(O)c1OC ZINC001308834663 1111481597 /nfs/dbraw/zinc/48/15/97/1111481597.db2.gz SLUVOPUVJSJXAN-SSDMNJCBSA-N 1 0 305.418 3.325 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCCC1 ZINC001308963399 1111500726 /nfs/dbraw/zinc/50/07/26/1111500726.db2.gz LKOIVAYXPUKBCT-UHFFFAOYSA-N 1 0 318.461 3.274 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(c3cncn3C)CC2)cc1Cl ZINC001308982804 1111504383 /nfs/dbraw/zinc/50/43/83/1111504383.db2.gz GXIRHMQQNQDIGY-UHFFFAOYSA-N 1 0 319.836 3.467 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000295135209 529402638 /nfs/dbraw/zinc/40/26/38/529402638.db2.gz PDGYTWSLFGMLRD-GHMZBOCLSA-N 1 0 321.339 3.409 20 10 DGCDRO CCCOc1ccc(C[NH+]2CCC(n3ccnc3)CC2)c(O)c1 ZINC000092648830 185331538 /nfs/dbraw/zinc/33/15/38/185331538.db2.gz YLTJFPUSBGNMLQ-UHFFFAOYSA-N 1 0 315.417 3.215 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cccc(OC)c2O)cc1C ZINC000092787124 185340711 /nfs/dbraw/zinc/34/07/11/185340711.db2.gz BCKMRQKNADEUNB-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Cl)c(OC)c1 ZINC000083552009 192372070 /nfs/dbraw/zinc/37/20/70/192372070.db2.gz QRTFUOVWCVJIQN-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]CCCc1c[nH]c3ccccc13)OCO2 ZINC000107714362 432037953 /nfs/dbraw/zinc/03/79/53/432037953.db2.gz QNPPLDMGILIFPB-UHFFFAOYSA-N 1 0 324.380 3.325 20 10 DGCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236885335 202052666 /nfs/dbraw/zinc/05/26/66/202052666.db2.gz RAFXTGJTBSUHOB-QAPCUYQASA-N 1 0 317.477 3.009 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2ccccc2OC)c1O ZINC000179588898 432063529 /nfs/dbraw/zinc/06/35/29/432063529.db2.gz YEIMFCIHJLCVAC-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1O ZINC000179642245 432065591 /nfs/dbraw/zinc/06/55/91/432065591.db2.gz IJYOPBIDUOHBNL-UHFFFAOYSA-N 1 0 324.424 3.095 20 10 DGCDRO COC(=O)c1oc([C@@H](C)[N@H+](C)Cc2ccccc2O)cc1C ZINC000091619334 193079435 /nfs/dbraw/zinc/07/94/35/193079435.db2.gz MPAUFGJRZFIUCB-GFCCVEGCSA-N 1 0 303.358 3.273 20 10 DGCDRO Cc1cc(C[NH+]2CCC3(CCCC3=O)CC2)ccc1N(C)C ZINC000852630434 620635819 /nfs/dbraw/zinc/63/58/19/620635819.db2.gz CZKIVHLBBXXXKN-UHFFFAOYSA-N 1 0 300.446 3.396 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@@H]1SC ZINC000459506327 243395244 /nfs/dbraw/zinc/39/52/44/243395244.db2.gz PQSHFBGKJMHIOC-QGTPRVQTSA-N 1 0 318.486 3.485 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)COC)c1cc(Br)ccc1O ZINC000019904826 182162342 /nfs/dbraw/zinc/16/23/42/182162342.db2.gz QMQMBBCPZUBVPU-CABZTGNLSA-N 1 0 302.212 3.230 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000268974881 432147986 /nfs/dbraw/zinc/14/79/86/432147986.db2.gz NISCIBOVVUIAFP-QAPCUYQASA-N 1 0 320.502 3.196 20 10 DGCDRO CCN(CC)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccco1 ZINC000067506089 184470423 /nfs/dbraw/zinc/47/04/23/184470423.db2.gz QICJEZOPWYBCOT-QGZVFWFLSA-N 1 0 314.429 3.387 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1O ZINC000183212070 533483712 /nfs/dbraw/zinc/48/37/12/533483712.db2.gz GTRQSQRMHLODAT-MRXNPFEDSA-N 1 0 317.360 3.193 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1O ZINC000271952681 129984406 /nfs/dbraw/zinc/98/44/06/129984406.db2.gz DUPLMPYMSGRTRC-HOTGVXAUSA-N 1 0 307.434 3.474 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000273028955 130083922 /nfs/dbraw/zinc/08/39/22/130083922.db2.gz FWWPWYXNPXKFOC-LSDHHAIUSA-N 1 0 307.434 3.476 20 10 DGCDRO C[C@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOC1 ZINC000273191999 130096389 /nfs/dbraw/zinc/09/63/89/130096389.db2.gz PZVMHDBCASFGKW-IBGZPJMESA-N 1 0 313.397 3.240 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cc(Br)ccc1O ZINC000273299355 130105429 /nfs/dbraw/zinc/10/54/29/130105429.db2.gz AYIBWQMUCMQIKO-JQWIXIFHSA-N 1 0 314.223 3.374 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccncc1)c1cc(Br)ccc1O ZINC000273364226 130111175 /nfs/dbraw/zinc/11/11/75/130111175.db2.gz AZTMYZBHISKHMS-LLVKDONJSA-N 1 0 321.218 3.443 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c(O)c1C ZINC000273355758 130111585 /nfs/dbraw/zinc/11/15/85/130111585.db2.gz CNMDATWAIXVIRY-PBHICJAKSA-N 1 0 317.404 3.402 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000273415886 130118724 /nfs/dbraw/zinc/11/87/24/130118724.db2.gz QXEPICARAHCEKL-RDTXWAMCSA-N 1 0 315.413 3.402 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273432600 130120504 /nfs/dbraw/zinc/12/05/04/130120504.db2.gz WCXGFSSMJLHHQC-SVGQVSJJSA-N 1 0 318.122 3.273 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c(O)c1 ZINC000273481195 130126350 /nfs/dbraw/zinc/12/63/50/130126350.db2.gz MBKJQBDLDFIWMX-CRAIPNDOSA-N 1 0 324.424 3.152 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCOc2ncccc2F)c(O)c1C ZINC000273528077 130132680 /nfs/dbraw/zinc/13/26/80/130132680.db2.gz VREHLHGGPTXYCK-ZDUSSCGKSA-N 1 0 304.365 3.273 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1O ZINC000273533099 130133564 /nfs/dbraw/zinc/13/35/64/130133564.db2.gz WSTCRAXBSGXLMK-YPMHNXCESA-N 1 0 311.809 3.382 20 10 DGCDRO CO[C@H](C)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273565214 130136746 /nfs/dbraw/zinc/13/67/46/130136746.db2.gz JEAJMEPZSARLPV-ZJUUUORDSA-N 1 0 302.212 3.230 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1[N+](=O)[O-] ZINC000273571556 130139381 /nfs/dbraw/zinc/13/93/81/130139381.db2.gz KRSHVEJAXNFBFL-GFCCVEGCSA-N 1 0 316.357 3.468 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000273608577 130142925 /nfs/dbraw/zinc/14/29/25/130142925.db2.gz UYZVWMJTJVMGPJ-LBPRGKRZSA-N 1 0 316.357 3.202 20 10 DGCDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275350884 130307507 /nfs/dbraw/zinc/30/75/07/130307507.db2.gz QOARBKGIYJVRNR-JTQLQIEISA-N 1 0 324.222 3.345 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1cscn1)C[C@@H]1CCCO1 ZINC000283892740 131031439 /nfs/dbraw/zinc/03/14/39/131031439.db2.gz JCIONJVPEHVSQR-INIZCTEOSA-N 1 0 318.442 3.072 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000284267088 131064683 /nfs/dbraw/zinc/06/46/83/131064683.db2.gz GRTAHIVDFASVKA-KGLIPLIRSA-N 1 0 316.228 3.417 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000284927539 131123832 /nfs/dbraw/zinc/12/38/32/131123832.db2.gz GTQSVGNZBHWHMR-ZIAGYGMSSA-N 1 0 311.809 3.198 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c(O)c1 ZINC000284972333 131127586 /nfs/dbraw/zinc/12/75/86/131127586.db2.gz FVHYROQYVRECDL-HZPDHXFCSA-N 1 0 311.429 3.334 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC000285021604 131131952 /nfs/dbraw/zinc/13/19/52/131131952.db2.gz KAEVDTDHNOWZMU-SJLPKXTDSA-N 1 0 305.418 3.324 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)[C@@]12CCCO2 ZINC000285394046 131164090 /nfs/dbraw/zinc/16/40/90/131164090.db2.gz WVUFQYIHZVLISX-XZKMEQPCSA-N 1 0 319.445 3.386 20 10 DGCDRO CCOC1CC(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000285519782 131176473 /nfs/dbraw/zinc/17/64/73/131176473.db2.gz GIYZHSVJNZEUNJ-IIIMJFFVSA-N 1 0 319.445 3.188 20 10 DGCDRO COc1cccc(OC)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000285568351 131181573 /nfs/dbraw/zinc/18/15/73/131181573.db2.gz WBGCGDHKAPEBTB-UHFFFAOYSA-N 1 0 300.402 3.060 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285724451 131196485 /nfs/dbraw/zinc/19/64/85/131196485.db2.gz QIDGRCZPAVYUMX-IUCAKERBSA-N 1 0 323.299 3.385 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000286879627 131253469 /nfs/dbraw/zinc/25/34/69/131253469.db2.gz ICYPIHYTBZALOG-HNNXBMFYSA-N 1 0 321.428 3.184 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CN(C)C)c1O ZINC000287160495 131266968 /nfs/dbraw/zinc/26/69/68/131266968.db2.gz TYOFUHPSHFAGPC-WDEREUQCSA-N 1 0 315.255 3.064 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000366659338 131313674 /nfs/dbraw/zinc/31/36/74/131313674.db2.gz XGJIJNXLDZUUSW-QWHCGFSZSA-N 1 0 323.820 3.107 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCSC1 ZINC000288385297 131322874 /nfs/dbraw/zinc/32/28/74/131322874.db2.gz GJRHOTVGIZRHIK-JTQLQIEISA-N 1 0 316.264 3.388 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COc3ccccc32)cc1F ZINC000288406863 131323735 /nfs/dbraw/zinc/32/37/35/131323735.db2.gz AFTCKKLPVQKTSE-CQSZACIVSA-N 1 0 300.377 3.158 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c(O)c1 ZINC000288557538 131331122 /nfs/dbraw/zinc/33/11/22/131331122.db2.gz MAMYWGZFIRJZCJ-LIRRHRJNSA-N 1 0 315.413 3.393 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2COc3ccccc32)c(O)c1 ZINC000288627380 131333392 /nfs/dbraw/zinc/33/33/92/131333392.db2.gz SHAIIQGFRLVTPB-OAHLLOKOSA-N 1 0 313.397 3.447 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1O ZINC000289456716 131388245 /nfs/dbraw/zinc/38/82/45/131388245.db2.gz NWNQKUOESNTGGI-CYBMUJFWSA-N 1 0 310.397 3.436 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289641121 131403624 /nfs/dbraw/zinc/40/36/24/131403624.db2.gz SMSMROOPPZMUEQ-ROUUACIJSA-N 1 0 300.446 3.286 20 10 DGCDRO FC(F)(F)c1ccnc(CC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000292894982 131686545 /nfs/dbraw/zinc/68/65/45/131686545.db2.gz GEDOCKUQKLZXIO-UHFFFAOYSA-N 1 0 322.330 3.368 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)CC2 ZINC000297239862 132005312 /nfs/dbraw/zinc/00/53/12/132005312.db2.gz ILXBOYVIHHQWLN-LBPRGKRZSA-N 1 0 306.312 3.166 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(OCC3CC3)nc1)CC2 ZINC000297958166 132042136 /nfs/dbraw/zinc/04/21/36/132042136.db2.gz ZDNPQASEVGXUJH-INIZCTEOSA-N 1 0 310.397 3.353 20 10 DGCDRO CCOC(=O)N1CCC([NH2+][C@H](CC)c2ccccc2O)CC1 ZINC000192882509 285809537 /nfs/dbraw/zinc/80/95/37/285809537.db2.gz PGWZERMTMBCILM-OAHLLOKOSA-N 1 0 306.406 3.054 20 10 DGCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(C)c(C)cc2O)cc1 ZINC000093415463 400246174 /nfs/dbraw/zinc/24/61/74/400246174.db2.gz HCOKZZMAFAKCNA-GOSISDBHSA-N 1 0 315.413 3.183 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1C ZINC000075761240 400610201 /nfs/dbraw/zinc/61/02/01/400610201.db2.gz IJNQWGMIAVBLEI-UHFFFAOYSA-N 1 0 311.429 3.289 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686593 292166213 /nfs/dbraw/zinc/16/62/13/292166213.db2.gz LDKLFHWNESRZHN-ZIAGYGMSSA-N 1 0 315.392 3.164 20 10 DGCDRO Cc1ccncc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269673338 432195973 /nfs/dbraw/zinc/19/59/73/432195973.db2.gz YAVCCZBSLAWQPX-SFHVURJKSA-N 1 0 312.413 3.277 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2C)cc1 ZINC000151131762 432221573 /nfs/dbraw/zinc/22/15/73/432221573.db2.gz GRHVPOZNCSZIBE-CYBMUJFWSA-N 1 0 300.450 3.344 20 10 DGCDRO C[C@@H]([NH2+]CCSCCCO)c1ccc2ccccc2c1O ZINC000185378869 228392116 /nfs/dbraw/zinc/39/21/16/228392116.db2.gz VRKKPWWTRYWQSL-CYBMUJFWSA-N 1 0 305.443 3.312 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185639395 228395441 /nfs/dbraw/zinc/39/54/41/228395441.db2.gz TWYFLIYVLBGTQU-ISVAXAHUSA-N 1 0 322.257 3.218 20 10 DGCDRO Cn1cc([C@H]([NH2+]Cc2cc(F)ccc2O)c2ccccc2)cn1 ZINC000371811965 229534708 /nfs/dbraw/zinc/53/47/08/229534708.db2.gz YWHZFDGMVDPKQO-GOSISDBHSA-N 1 0 311.360 3.144 20 10 DGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000270207558 432229147 /nfs/dbraw/zinc/22/91/47/432229147.db2.gz KXJBTYUYLCJCSX-ZDUSSCGKSA-N 1 0 319.426 3.037 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1C ZINC000270303603 432231074 /nfs/dbraw/zinc/23/10/74/432231074.db2.gz SNECFYNGSTVSHF-GOSISDBHSA-N 1 0 303.377 3.140 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151389674 432243149 /nfs/dbraw/zinc/24/31/49/432243149.db2.gz CTQOBBZTVCKXQU-IAQYHMDHSA-N 1 0 313.850 3.190 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000151447484 432247491 /nfs/dbraw/zinc/24/74/91/432247491.db2.gz XFCZQVMAIJKXLW-OAHLLOKOSA-N 1 0 321.428 3.184 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc2c(c1)CC(=O)N2C ZINC000297601036 274259263 /nfs/dbraw/zinc/25/92/63/274259263.db2.gz IANPEBMXABCSGF-MLGOLLRUSA-N 1 0 322.408 3.249 20 10 DGCDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178226066 277333294 /nfs/dbraw/zinc/33/32/94/277333294.db2.gz WFQOFRHPDQVIKB-INIZCTEOSA-N 1 0 317.477 3.100 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCSC[C@H](C)C2)c1O ZINC000190845456 277378934 /nfs/dbraw/zinc/37/89/34/277378934.db2.gz AOCDMXKRUGGYEM-SNVBAGLBSA-N 1 0 301.839 3.239 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC000271640813 278355665 /nfs/dbraw/zinc/35/56/65/278355665.db2.gz DSYRLFOIGJJJOC-PBHICJAKSA-N 1 0 304.434 3.089 20 10 DGCDRO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c(F)c1 ZINC000111235096 431198913 /nfs/dbraw/zinc/19/89/13/431198913.db2.gz MMHPMDKYABSAKN-ZDUSSCGKSA-N 1 0 316.376 3.299 20 10 DGCDRO COCC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000070081434 431239978 /nfs/dbraw/zinc/23/99/78/431239978.db2.gz KVYSDMMGJOTRJF-UHFFFAOYSA-N 1 0 311.809 3.107 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)cc1 ZINC000114509711 431393870 /nfs/dbraw/zinc/39/38/70/431393870.db2.gz IDMHIQZZOTYEPP-GOSISDBHSA-N 1 0 320.383 3.028 20 10 DGCDRO CCC[N@H+](Cc1c(C)nn(C)c1Cl)Cc1ccccc1O ZINC000076074369 431524279 /nfs/dbraw/zinc/52/42/79/431524279.db2.gz XSRLHPOBNCPWRQ-UHFFFAOYSA-N 1 0 307.825 3.500 20 10 DGCDRO CC(C)OCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000119489095 431699270 /nfs/dbraw/zinc/69/92/70/431699270.db2.gz YLJQGZDGVNJHJI-QGZVFWFLSA-N 1 0 307.434 3.188 20 10 DGCDRO CCOCC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000036229076 431836967 /nfs/dbraw/zinc/83/69/67/431836967.db2.gz BOSAKSPCCWQRAM-LBPRGKRZSA-N 1 0 302.212 3.232 20 10 DGCDRO CC[C@H]([NH2+]C1CCOCC1)c1cc(Br)ccc1O ZINC000036319474 431838536 /nfs/dbraw/zinc/83/85/36/431838536.db2.gz NHFHCZUXUDVZMT-ZDUSSCGKSA-N 1 0 314.223 3.374 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090036402 431889443 /nfs/dbraw/zinc/88/94/43/431889443.db2.gz OZOUYRPVIHVJCB-GOEBONIOSA-N 1 0 304.409 3.422 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1 ZINC000090802183 431895791 /nfs/dbraw/zinc/89/57/91/431895791.db2.gz IETGWHRXZMDIKR-RDJZCZTQSA-N 1 0 310.445 3.077 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000183253821 432274772 /nfs/dbraw/zinc/27/47/72/432274772.db2.gz IQWPHGNFWVDPHS-GFCCVEGCSA-N 1 0 306.431 3.483 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1ccccc1O ZINC000183316447 432281360 /nfs/dbraw/zinc/28/13/60/432281360.db2.gz IHPWEAXZIGVBPR-YJBOKZPZSA-N 1 0 315.413 3.181 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1ccccc1O ZINC000183316503 432281431 /nfs/dbraw/zinc/28/14/31/432281431.db2.gz IHPWEAXZIGVBPR-CRAIPNDOSA-N 1 0 315.413 3.181 20 10 DGCDRO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccccc1O ZINC000183439181 432293269 /nfs/dbraw/zinc/29/32/69/432293269.db2.gz JDOJCDOZXHMCAU-ZDUSSCGKSA-N 1 0 302.443 3.163 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1O ZINC000183478619 432296279 /nfs/dbraw/zinc/29/62/79/432296279.db2.gz MLRUXJQMZZGDGF-LLVKDONJSA-N 1 0 302.340 3.070 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000183513674 432298355 /nfs/dbraw/zinc/29/83/55/432298355.db2.gz HQESWEFCHRXNRH-UONOGXRCSA-N 1 0 320.433 3.442 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3cnc(C)s3)CC2)cc1 ZINC000102432697 431993717 /nfs/dbraw/zinc/99/37/17/431993717.db2.gz LMFOQHKJXZYSST-UHFFFAOYSA-N 1 0 317.458 3.219 20 10 DGCDRO c1csc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000060230171 431998993 /nfs/dbraw/zinc/99/89/93/431998993.db2.gz AFRJTJMROSAEAC-UHFFFAOYSA-N 1 0 301.459 3.466 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000271046491 432320798 /nfs/dbraw/zinc/32/07/98/432320798.db2.gz QVHKEHSDFGRCEQ-LJQANCHMSA-N 1 0 313.397 3.364 20 10 DGCDRO CCC[N@H+](Cc1cccc(OC)c1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271214397 432355365 /nfs/dbraw/zinc/35/53/65/432355365.db2.gz WGKBRNBHSLDTCJ-QGTPRVQTSA-N 1 0 319.445 3.426 20 10 DGCDRO COc1cccc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1O ZINC000271133999 432334964 /nfs/dbraw/zinc/33/49/64/432334964.db2.gz LLUWGIGYLMUZLO-SFHVURJKSA-N 1 0 313.397 3.147 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccccc1O ZINC000183613107 432307518 /nfs/dbraw/zinc/30/75/18/432307518.db2.gz YAPIDBDMKVXHEM-KEYYUXOJSA-N 1 0 310.397 3.237 20 10 DGCDRO C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccccc1O ZINC000183601231 432308406 /nfs/dbraw/zinc/30/84/06/432308406.db2.gz CGJXPUAFHCVPPB-HNNXBMFYSA-N 1 0 324.424 3.365 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O ZINC000183631426 432311132 /nfs/dbraw/zinc/31/11/32/432311132.db2.gz LKKIGOQOWIENGB-NVXWUHKLSA-N 1 0 324.424 3.092 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(C(=O)OC)CC1)c1ccc(N(C)C)cc1 ZINC000153007690 432375463 /nfs/dbraw/zinc/37/54/63/432375463.db2.gz QQLPWNUIOKSQIL-KRWDZBQOSA-N 1 0 319.449 3.024 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192922965 432429048 /nfs/dbraw/zinc/42/90/48/432429048.db2.gz XOGVJDVRIZOQAW-MRXNPFEDSA-N 1 0 314.404 3.143 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCCC2)c1 ZINC000192952729 432433861 /nfs/dbraw/zinc/43/38/61/432433861.db2.gz LBPHKOZSQDCEKT-PBHICJAKSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000184948146 432447323 /nfs/dbraw/zinc/44/73/23/432447323.db2.gz IOQGGPVYOUMVAS-APPDUMDISA-N 1 0 321.804 3.438 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1O ZINC000184961266 432449641 /nfs/dbraw/zinc/44/96/41/432449641.db2.gz ZZGJNJAJRKYPBN-QGZVFWFLSA-N 1 0 305.805 3.351 20 10 DGCDRO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(F)ccc1O ZINC000184973678 432450092 /nfs/dbraw/zinc/45/00/92/432450092.db2.gz FBZVCIVSFVHPIN-ZDUSSCGKSA-N 1 0 315.392 3.377 20 10 DGCDRO C[C@H]([NH2+]CCc1cccnc1)c1ccc(Br)cc1O ZINC000184980590 432452914 /nfs/dbraw/zinc/45/29/14/432452914.db2.gz UYEDXWSTLRFUGU-NSHDSACASA-N 1 0 321.218 3.443 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1O ZINC000271696166 432422051 /nfs/dbraw/zinc/42/20/51/432422051.db2.gz BDPAQFKKNINTHG-UHFFFAOYSA-N 1 0 324.852 3.091 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2c(C)nc3sccn32)c1 ZINC000271759539 432423917 /nfs/dbraw/zinc/42/39/17/432423917.db2.gz YHGXJTIMBJQQCI-UHFFFAOYSA-N 1 0 317.414 3.050 20 10 DGCDRO CCOC(=O)N1CCC([NH2+][C@@H](CC)c2ccccc2O)CC1 ZINC000192882496 432425852 /nfs/dbraw/zinc/42/58/52/432425852.db2.gz PGWZERMTMBCILM-HNNXBMFYSA-N 1 0 306.406 3.054 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2nc3c(cccc3C)o2)c1 ZINC000271829598 432427252 /nfs/dbraw/zinc/42/72/52/432427252.db2.gz OQGAIGXFBJZSSJ-UHFFFAOYSA-N 1 0 312.369 3.183 20 10 DGCDRO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000185475486 432504306 /nfs/dbraw/zinc/50/43/06/432504306.db2.gz HJKDITBZTMCCCR-MCMMXHMISA-N 1 0 323.502 3.469 20 10 DGCDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000193911363 432508755 /nfs/dbraw/zinc/50/87/55/432508755.db2.gz QIFBESRKNVIFFJ-OAHLLOKOSA-N 1 0 312.413 3.090 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(Br)cc1O ZINC000185090239 432466052 /nfs/dbraw/zinc/46/60/52/432466052.db2.gz QSYHMVJZDHNJHY-QWRGUYRKSA-N 1 0 314.223 3.232 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](OC)c2ccccc2)c1 ZINC000185101872 432466994 /nfs/dbraw/zinc/46/69/94/432466994.db2.gz JBWVEXFXVSRCKB-ACJLOTCBSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(OC)c1OC ZINC000154069930 432470312 /nfs/dbraw/zinc/47/03/12/432470312.db2.gz IRDKVSOXBKPGQY-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193970171 432513582 /nfs/dbraw/zinc/51/35/82/432513582.db2.gz DNGCHOZMEINEGH-CEXWTWQISA-N 1 0 312.457 3.334 20 10 DGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000185788233 432534059 /nfs/dbraw/zinc/53/40/59/432534059.db2.gz DEWQJRMIIKIHIG-UKRRQHHQSA-N 1 0 312.413 3.207 20 10 DGCDRO COc1ccc(COCC[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185861571 432539244 /nfs/dbraw/zinc/53/92/44/432539244.db2.gz KLQZCXPUDYCLJS-CYBMUJFWSA-N 1 0 319.376 3.407 20 10 DGCDRO C[N@H+](Cc1ccc(CO)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000155247884 432546293 /nfs/dbraw/zinc/54/62/93/432546293.db2.gz HXIGNNVRFXEEPI-UHFFFAOYSA-N 1 0 314.429 3.394 20 10 DGCDRO Cc1c(C[NH2+][C@@H](C)c2cc(Br)ccc2O)cnn1C ZINC000186187813 432566774 /nfs/dbraw/zinc/56/67/74/432566774.db2.gz WJTDVGUWPASUTG-VIFPVBQESA-N 1 0 324.222 3.047 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1cc(Br)ccc1O ZINC000186233981 432571013 /nfs/dbraw/zinc/57/10/13/432571013.db2.gz NQDLCSAZGIVAKV-ZYHUDNBSSA-N 1 0 314.223 3.374 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186354998 432586524 /nfs/dbraw/zinc/58/65/24/432586524.db2.gz WZEHTVZGWQUYOY-OLUCIUBSSA-N 1 0 317.429 3.399 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](COC)c2ccc(C)o2)c1 ZINC000177568573 432637664 /nfs/dbraw/zinc/63/76/64/432637664.db2.gz KJMMKDDGAGQAAH-HNNXBMFYSA-N 1 0 305.374 3.170 20 10 DGCDRO CCC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187197543 432651326 /nfs/dbraw/zinc/65/13/26/432651326.db2.gz JBVKTNRTXPPONZ-JQWIXIFHSA-N 1 0 316.239 3.275 20 10 DGCDRO CCC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187197590 432651390 /nfs/dbraw/zinc/65/13/90/432651390.db2.gz JBVKTNRTXPPONZ-ZYHUDNBSSA-N 1 0 316.239 3.275 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000264521904 432654967 /nfs/dbraw/zinc/65/49/67/432654967.db2.gz ADPHQEGOTGKNBN-CQSZACIVSA-N 1 0 323.440 3.122 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000178095489 432693417 /nfs/dbraw/zinc/69/34/17/432693417.db2.gz PXSWNLOMTSHLBA-BBRMVZONSA-N 1 0 305.466 3.097 20 10 DGCDRO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215585 432724472 /nfs/dbraw/zinc/72/44/72/432724472.db2.gz BTQBJKINLQTVMY-FXAWDEMLSA-N 1 0 315.505 3.449 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC000187909780 432691624 /nfs/dbraw/zinc/69/16/24/432691624.db2.gz YKZUGNAXFRYVSM-LIRRHRJNSA-N 1 0 315.413 3.349 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1 ZINC000178535517 432751057 /nfs/dbraw/zinc/75/10/57/432751057.db2.gz ADJXFVJFIJTYJO-ZDUSSCGKSA-N 1 0 306.425 3.065 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)CCc2ccc(O)cc2)c1 ZINC000237206069 432782134 /nfs/dbraw/zinc/78/21/34/432782134.db2.gz YGBINVZWLLRZDG-CYBMUJFWSA-N 1 0 301.386 3.217 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000276838177 432826550 /nfs/dbraw/zinc/82/65/50/432826550.db2.gz SFJYDHLHZWQIDJ-INIZCTEOSA-N 1 0 305.418 3.372 20 10 DGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CS1 ZINC000277110391 432830349 /nfs/dbraw/zinc/83/03/49/432830349.db2.gz HYXLSVFRKWYMLC-WMZOPIPTSA-N 1 0 320.502 3.143 20 10 DGCDRO OCC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000288385477 432891463 /nfs/dbraw/zinc/89/14/63/432891463.db2.gz GLBFNDCBYYOQLZ-KRWDZBQOSA-N 1 0 317.816 3.488 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCO[C@@]3(CCSC3)C1)CC2 ZINC000297028280 432950400 /nfs/dbraw/zinc/95/04/00/432950400.db2.gz UQHWBLGCCOCYDT-VBQJREDUSA-N 1 0 305.443 3.024 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289814555 432975236 /nfs/dbraw/zinc/97/52/36/432975236.db2.gz SZKVJCCVUWCWCP-ZDUSSCGKSA-N 1 0 323.742 3.325 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000290114890 432994627 /nfs/dbraw/zinc/99/46/27/432994627.db2.gz ILNKAEPUCPBFNX-MRXNPFEDSA-N 1 0 321.804 3.268 20 10 DGCDRO CC[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(C)cc1O ZINC000280028720 432999082 /nfs/dbraw/zinc/99/90/82/432999082.db2.gz HYFPYDXDIDBHFQ-DOTOQJQBSA-N 1 0 307.434 3.327 20 10 DGCDRO CC[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(C)cc1O ZINC000280038633 433000127 /nfs/dbraw/zinc/00/01/27/433000127.db2.gz ISOVNQLOIRJLJA-QGZVFWFLSA-N 1 0 307.434 3.327 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@H](CC)c2ccc(C)cc2O)CCC1 ZINC000280052412 433001168 /nfs/dbraw/zinc/00/11/68/433001168.db2.gz JRKLIOXWPOPTFW-OAHLLOKOSA-N 1 0 304.434 3.048 20 10 DGCDRO CC[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(C)cc1O ZINC000280151540 433006389 /nfs/dbraw/zinc/00/63/89/433006389.db2.gz QFTWDFZSIYGIBR-INIZCTEOSA-N 1 0 304.434 3.048 20 10 DGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000290196499 433010725 /nfs/dbraw/zinc/01/07/25/433010725.db2.gz OTKRFVYHYHAMON-OPRDCNLKSA-N 1 0 302.212 3.229 20 10 DGCDRO OCC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000290286980 433027184 /nfs/dbraw/zinc/02/71/84/433027184.db2.gz ZSRKZCRAGLKNMY-OAHLLOKOSA-N 1 0 309.768 3.398 20 10 DGCDRO COCC1(C[NH2+]Cc2cc(OC)c(OC)cc2O)CCCCC1 ZINC000290375203 433040371 /nfs/dbraw/zinc/04/03/71/433040371.db2.gz ATTQXYHUJGPYCO-UHFFFAOYSA-N 1 0 323.433 3.096 20 10 DGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1cc(Cl)ccc1O ZINC000290399531 433046526 /nfs/dbraw/zinc/04/65/26/433046526.db2.gz SUDFHXRVUYSZDA-NCAQKEMTSA-N 1 0 319.788 3.191 20 10 DGCDRO C[NH+]1CCC(N(Cc2ccco2)Cc2cc(F)ccc2O)CC1 ZINC000290599134 433114578 /nfs/dbraw/zinc/11/45/78/433114578.db2.gz VTSZHDBYUPCNRW-UHFFFAOYSA-N 1 0 318.392 3.221 20 10 DGCDRO COc1cccc(C[NH2+]CCc2ccc(SC)cc2)c1O ZINC000280644153 433120331 /nfs/dbraw/zinc/12/03/31/433120331.db2.gz NMSLBKYAATWQMH-UHFFFAOYSA-N 1 0 303.427 3.455 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000374159691 433176260 /nfs/dbraw/zinc/17/62/60/433176260.db2.gz MFUINNOVCCRLKW-XKQJLSEDSA-N 1 0 305.418 3.084 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c1O ZINC000290913337 433204798 /nfs/dbraw/zinc/20/47/98/433204798.db2.gz NEMFXVNZGKKPKX-AWEZNQCLSA-N 1 0 321.808 3.006 20 10 DGCDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000281721264 433359662 /nfs/dbraw/zinc/35/96/62/433359662.db2.gz UOQFAPJLAZNCAC-WMZOPIPTSA-N 1 0 320.477 3.115 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1 ZINC000281828567 433398039 /nfs/dbraw/zinc/39/80/39/433398039.db2.gz XPFQHIHHARPQRM-HXUWFJFHSA-N 1 0 310.441 3.066 20 10 DGCDRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000282317566 433563047 /nfs/dbraw/zinc/56/30/47/433563047.db2.gz NJCQEUYCYHJJKO-NYHFZMIOSA-N 1 0 320.502 3.239 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000293272390 433680779 /nfs/dbraw/zinc/68/07/79/433680779.db2.gz CLLOBTSVIWPFIG-UONOGXRCSA-N 1 0 300.377 3.461 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CSC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000283376165 433711668 /nfs/dbraw/zinc/71/16/68/433711668.db2.gz OJHGVBVBWSVBLX-MLGOLLRUSA-N 1 0 324.465 3.207 20 10 DGCDRO C[C@H]([NH2+][C@H]1CSC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000283376163 433713919 /nfs/dbraw/zinc/71/39/19/433713919.db2.gz OJHGVBVBWSVBLX-LRDDRELGSA-N 1 0 324.465 3.207 20 10 DGCDRO Cc1sccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000293477044 433750980 /nfs/dbraw/zinc/75/09/80/433750980.db2.gz FLCTYLFBGBZLDE-UHFFFAOYSA-N 1 0 302.443 3.183 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCCC2(C)C)c1O ZINC000293720668 433843586 /nfs/dbraw/zinc/84/35/86/433843586.db2.gz TXCGYTMYFWKFCX-MRXNPFEDSA-N 1 0 313.825 3.085 20 10 DGCDRO COC1CCN(c2ccc(C[NH+]3C[C@@H](C)[C@H](C)C3)cc2)CC1 ZINC000295032123 434161667 /nfs/dbraw/zinc/16/16/67/434161667.db2.gz NCWPCPSZDUBZHQ-HZPDHXFCSA-N 1 0 302.462 3.390 20 10 DGCDRO CS[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000295036202 434164933 /nfs/dbraw/zinc/16/49/33/434164933.db2.gz MCJJCDWEZIRYBJ-LLVKDONJSA-N 1 0 302.237 3.092 20 10 DGCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475188869 435183493 /nfs/dbraw/zinc/18/34/93/435183493.db2.gz BTEGDDNVQLEJNK-AWEZNQCLSA-N 1 0 315.461 3.223 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCCc2c(C)cccc21 ZINC000644048476 435400497 /nfs/dbraw/zinc/40/04/97/435400497.db2.gz LUAWAMWFAOQBDC-UHFFFAOYSA-N 1 0 308.425 3.350 20 10 DGCDRO CC1(C)CN(C(=O)c2ccccc2CC[NH3+])c2cc(F)ccc21 ZINC000653203573 436131383 /nfs/dbraw/zinc/13/13/83/436131383.db2.gz SABHXGRWQZVXPG-UHFFFAOYSA-N 1 0 312.388 3.265 20 10 DGCDRO C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(Br)cc1O ZINC000296442579 335142129 /nfs/dbraw/zinc/14/21/29/335142129.db2.gz MISDCPUQVJAYMD-SNVBAGLBSA-N 1 0 316.239 3.214 20 10 DGCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000293532875 334198749 /nfs/dbraw/zinc/19/87/49/334198749.db2.gz BZQXHTRUFZSANO-KRWDZBQOSA-N 1 0 313.397 3.192 20 10 DGCDRO COc1cccc([C@H](C[NH2+]Cc2cc(C)c(C)cc2O)OC)c1 ZINC000527736449 337759796 /nfs/dbraw/zinc/75/97/96/337759796.db2.gz LWICRJSLWWMIJW-IBGZPJMESA-N 1 0 315.413 3.495 20 10 DGCDRO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1O ZINC000183379627 533835952 /nfs/dbraw/zinc/83/59/52/533835952.db2.gz ZJJXPDIEOSLUOR-INIZCTEOSA-N 1 0 318.461 3.078 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000185694851 534196467 /nfs/dbraw/zinc/19/64/67/534196467.db2.gz RVFLBFFQOHHUBD-UHFFFAOYSA-N 1 0 312.413 3.016 20 10 DGCDRO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158042833 518588546 /nfs/dbraw/zinc/58/85/46/518588546.db2.gz LFSBEJPXDCNXII-AWEZNQCLSA-N 1 0 324.852 3.172 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC(OC3CCCC3)CC1)OCO2 ZINC000129054502 534448537 /nfs/dbraw/zinc/44/85/37/534448537.db2.gz JVXGKRSTMLSLAG-UHFFFAOYSA-N 1 0 319.401 3.045 20 10 DGCDRO CC[N@H+](CCC(C)(C)O)Cc1cc(Br)ccc1O ZINC000267353634 520995068 /nfs/dbraw/zinc/99/50/68/520995068.db2.gz BJYQEFAFHOVECS-UHFFFAOYSA-N 1 0 316.239 3.138 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC000189837826 521151484 /nfs/dbraw/zinc/15/14/84/521151484.db2.gz FVASJESUQHCJLD-IBGZPJMESA-N 1 0 315.413 3.178 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000267203720 521372150 /nfs/dbraw/zinc/37/21/50/521372150.db2.gz PEKBVCDNJZYAGG-SJCJKPOMSA-N 1 0 319.376 3.142 20 10 DGCDRO CCOC(CCC[NH2+]Cc1c(O)cccc1Cl)OCC ZINC000113314477 521628071 /nfs/dbraw/zinc/62/80/71/521628071.db2.gz SAWWTOVBNBIZDN-UHFFFAOYSA-N 1 0 301.814 3.315 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1O ZINC000156781184 522952622 /nfs/dbraw/zinc/95/26/22/522952622.db2.gz NNRFVIFKOUESMJ-YSVLISHTSA-N 1 0 307.459 3.488 20 10 DGCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000191695377 523899078 /nfs/dbraw/zinc/89/90/78/523899078.db2.gz IHMFFYXGLYTTHS-LSDHHAIUSA-N 1 0 315.413 3.484 20 10 DGCDRO COc1ccc(COCC[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000179879835 524115275 /nfs/dbraw/zinc/11/52/75/524115275.db2.gz PYFWMVNFRIRTGW-CQSZACIVSA-N 1 0 301.386 3.268 20 10 DGCDRO Cc1cccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1O ZINC000188750734 524432836 /nfs/dbraw/zinc/43/28/36/524432836.db2.gz KHKBFWSUDRBEDW-UHFFFAOYSA-N 1 0 316.367 3.065 20 10 DGCDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000186270356 524451007 /nfs/dbraw/zinc/45/10/07/524451007.db2.gz LBHGNKXQFNWLRV-AWEZNQCLSA-N 1 0 320.452 3.455 20 10 DGCDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000156352330 524524636 /nfs/dbraw/zinc/52/46/36/524524636.db2.gz PFAPIIFFYFWOJI-INIZCTEOSA-N 1 0 300.450 3.307 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c(F)c2)c1 ZINC000182342345 524764612 /nfs/dbraw/zinc/76/46/12/524764612.db2.gz KWQCFDKPNLYTSN-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000127780251 525372763 /nfs/dbraw/zinc/37/27/63/525372763.db2.gz IUPRTHPXHMWWPO-INIZCTEOSA-N 1 0 312.461 3.304 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc2c(cc1O)CCCC2 ZINC000188002126 525559876 /nfs/dbraw/zinc/55/98/76/525559876.db2.gz MAUXOPCQMKRLOT-PMUMKWKESA-N 1 0 303.446 3.473 20 10 DGCDRO Cc1ccc([C@@H](C[NH2+]Cc2cc(F)ccc2O)N2CCCC2)o1 ZINC000180917960 525762372 /nfs/dbraw/zinc/76/23/72/525762372.db2.gz NMDVSFAAQZCRCD-MRXNPFEDSA-N 1 0 318.392 3.359 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000157030741 526353895 /nfs/dbraw/zinc/35/38/95/526353895.db2.gz QZRBWABHHGZJHK-UHFFFAOYSA-N 1 0 322.412 3.049 20 10 DGCDRO c1cc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000367722933 526438485 /nfs/dbraw/zinc/43/84/85/526438485.db2.gz BYZDUMUHELNEPC-HXUWFJFHSA-N 1 0 323.440 3.255 20 10 DGCDRO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000189989393 527570150 /nfs/dbraw/zinc/57/01/50/527570150.db2.gz AZHJXBQJOWWIFO-MJGOQNOKSA-N 1 0 302.462 3.318 20 10 DGCDRO Cc1nn(C)cc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000156479391 527691711 /nfs/dbraw/zinc/69/17/11/527691711.db2.gz CMZJXBJNHJLNBS-UHFFFAOYSA-N 1 0 312.461 3.351 20 10 DGCDRO CCOc1cccc(CNc2c[nH+]ccc2-n2cc(C)cn2)c1O ZINC000182668932 528658284 /nfs/dbraw/zinc/65/82/84/528658284.db2.gz OADRBHLQKPMOLN-UHFFFAOYSA-N 1 0 324.384 3.292 20 10 DGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000178715979 529361624 /nfs/dbraw/zinc/36/16/24/529361624.db2.gz HRNFUIKKDUHLIW-RHSMWYFYSA-N 1 0 305.466 3.098 20 10 DGCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000299555492 535602219 /nfs/dbraw/zinc/60/22/19/535602219.db2.gz MBQSEMWJCNYZKS-UHFFFAOYSA-N 1 0 312.413 3.164 20 10 DGCDRO CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1cccc(Cl)c1[O-] ZINC000287899367 535803589 /nfs/dbraw/zinc/80/35/89/535803589.db2.gz ZMPVTFBDSGDCPZ-OAHLLOKOSA-N 1 0 314.857 3.055 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1[N+](=O)[O-] ZINC000273571558 536896691 /nfs/dbraw/zinc/89/66/91/536896691.db2.gz KRSHVEJAXNFBFL-LBPRGKRZSA-N 1 0 316.357 3.468 20 10 DGCDRO CCn1cc([C@@H](C)[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000294746560 546423788 /nfs/dbraw/zinc/42/37/88/546423788.db2.gz CSIQLPXVAMERSQ-SNVBAGLBSA-N 1 0 324.222 3.222 20 10 DGCDRO C[C@@H]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000323662134 546477156 /nfs/dbraw/zinc/47/71/56/546477156.db2.gz USFIKYYOTBLSLE-CQSZACIVSA-N 1 0 306.409 3.486 20 10 DGCDRO C[N@H+](Cc1cnc(-c2ccccc2)nc1)Cc1ccccc1O ZINC000732202691 574567720 /nfs/dbraw/zinc/56/77/20/574567720.db2.gz CLEGOPZHZHOKHE-UHFFFAOYSA-N 1 0 305.381 3.481 20 10 DGCDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1=CC(=O)CS1 ZINC000732284400 574570392 /nfs/dbraw/zinc/57/03/92/574570392.db2.gz OPZLSOKXWDUOGE-UHFFFAOYSA-N 1 0 318.442 3.178 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000733324358 574615557 /nfs/dbraw/zinc/61/55/57/574615557.db2.gz RLXRGGRVIHYLLD-UHFFFAOYSA-N 1 0 307.397 3.235 20 10 DGCDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1ccc(N(C)C)c(F)c1 ZINC000733325267 574615952 /nfs/dbraw/zinc/61/59/52/574615952.db2.gz HKVPUOXERXMMLD-BZUAXINKSA-N 1 0 321.484 3.348 20 10 DGCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(N(C)C)cc1 ZINC000733332144 574616931 /nfs/dbraw/zinc/61/69/31/574616931.db2.gz OMIRIORQIUJAKN-KRWDZBQOSA-N 1 0 312.413 3.375 20 10 DGCDRO COc1ccc(N2CCC(NC(=O)[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000734391783 574660396 /nfs/dbraw/zinc/66/03/96/574660396.db2.gz MJCGFFWDNOPMCC-CQSZACIVSA-N 1 0 318.461 3.462 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000736647046 574762012 /nfs/dbraw/zinc/76/20/12/574762012.db2.gz CHAVKCYVEJZIEO-SFHVURJKSA-N 1 0 319.408 3.429 20 10 DGCDRO CC(C)N1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000738438742 574869922 /nfs/dbraw/zinc/86/99/22/574869922.db2.gz BPLXDZDKXPGRAZ-SFHVURJKSA-N 1 0 324.424 3.158 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)Cc2cnccn2)cc1F ZINC000740003885 574918031 /nfs/dbraw/zinc/91/80/31/574918031.db2.gz AHWDTJODZXQPFC-AWEZNQCLSA-N 1 0 316.424 3.183 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](OC)C(F)(F)F)cc1F ZINC000740008200 574918255 /nfs/dbraw/zinc/91/82/55/574918255.db2.gz ZBKTYIIVEZTHBD-CQSZACIVSA-N 1 0 322.346 3.339 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000740759307 574941409 /nfs/dbraw/zinc/94/14/09/574941409.db2.gz XEBKHDXWLARHFF-QGZVFWFLSA-N 1 0 313.397 3.273 20 10 DGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCOC1 ZINC000743873706 575067637 /nfs/dbraw/zinc/06/76/37/575067637.db2.gz RXNRAOAJFURLAY-NSHDSACASA-N 1 0 314.223 3.013 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000729286285 575232361 /nfs/dbraw/zinc/23/23/61/575232361.db2.gz JHZNRUXFZREQLN-LBPRGKRZSA-N 1 0 319.474 3.226 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCCC(=O)OC(C)(C)C)c1 ZINC000744450478 575343768 /nfs/dbraw/zinc/34/37/68/575343768.db2.gz WLGFRVWROABQTN-UHFFFAOYSA-N 1 0 309.406 3.002 20 10 DGCDRO Cc1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000745984086 575426586 /nfs/dbraw/zinc/42/65/86/575426586.db2.gz LYZJEEMQKIDLNU-GOSISDBHSA-N 1 0 312.413 3.277 20 10 DGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000746753666 575473772 /nfs/dbraw/zinc/47/37/72/575473772.db2.gz GNMLPFGBCRXGOH-STQMWFEESA-N 1 0 314.223 3.202 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](COC)Cc2ccccc2)c1 ZINC000747100912 575496450 /nfs/dbraw/zinc/49/64/50/575496450.db2.gz XZYONIWUVCOOTQ-QGZVFWFLSA-N 1 0 315.413 3.138 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]CC2(C)CC2)c1O ZINC000748098474 575561396 /nfs/dbraw/zinc/56/13/96/575561396.db2.gz FDVMCBMCHGTTQL-UHFFFAOYSA-N 1 0 300.196 3.053 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1 ZINC000748242478 575574425 /nfs/dbraw/zinc/57/44/25/575574425.db2.gz NIBWBANDWGWLSQ-GOSISDBHSA-N 1 0 317.477 3.023 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(N2CCOC2=O)cc1 ZINC000725847998 575929667 /nfs/dbraw/zinc/92/96/67/575929667.db2.gz MDYHDFJGQRTMMR-CYBMUJFWSA-N 1 0 312.369 3.200 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1[N+](=O)[O-] ZINC000725848856 575929874 /nfs/dbraw/zinc/92/98/74/575929874.db2.gz AAAHFEDXSCBHID-UHFFFAOYSA-N 1 0 322.748 3.252 20 10 DGCDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000726588145 576031670 /nfs/dbraw/zinc/03/16/70/576031670.db2.gz LRAIONLPPBXCDF-HNNXBMFYSA-N 1 0 313.397 3.463 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3csc(C)n3)CC2)cc1 ZINC000726606740 576032511 /nfs/dbraw/zinc/03/25/11/576032511.db2.gz QJOVDTMGIONVSB-UHFFFAOYSA-N 1 0 317.458 3.219 20 10 DGCDRO CCC[N@H+](Cc1cc(C(=O)OC)c(C)o1)Cc1ccccc1O ZINC000727831220 576148191 /nfs/dbraw/zinc/14/81/91/576148191.db2.gz OVLSIQLFLOBPPS-UHFFFAOYSA-N 1 0 317.385 3.492 20 10 DGCDRO CC(=O)c1cc(F)cc(CN2CCC(c3ccon3)CC2)c1O ZINC000852672532 620639454 /nfs/dbraw/zinc/63/94/54/620639454.db2.gz FPGYZAUPNPJHKO-UHFFFAOYSA-N 1 0 318.348 3.102 20 10 DGCDRO Cc1cc(O)c(CN2CC[NH+](CC3CC3)CC2)cc1C(C)C ZINC000917480269 620670341 /nfs/dbraw/zinc/67/03/41/620670341.db2.gz ZPMVPHQWKKGXIX-UHFFFAOYSA-N 1 0 302.462 3.352 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4COC[C@]4(C)C3)c2c1 ZINC000853567105 620710168 /nfs/dbraw/zinc/71/01/68/620710168.db2.gz SYBGUUKHKPWYGG-KUHUBIRLSA-N 1 0 313.397 3.022 20 10 DGCDRO CCC1(CC)CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000853563868 620710183 /nfs/dbraw/zinc/71/01/83/620710183.db2.gz ZSONQKDFJVHMSG-INIZCTEOSA-N 1 0 305.418 3.220 20 10 DGCDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000806134148 617676462 /nfs/dbraw/zinc/67/64/62/617676462.db2.gz VAUWVVXQOWUEHV-MSOLQXFVSA-N 1 0 302.462 3.438 20 10 DGCDRO CCCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891254606 617760895 /nfs/dbraw/zinc/76/08/95/617760895.db2.gz ZMVFIFDIEGIEJL-QGZVFWFLSA-N 1 0 317.477 3.052 20 10 DGCDRO COCC[C@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000840837819 617796367 /nfs/dbraw/zinc/79/63/67/617796367.db2.gz VUPCCWUWVJVZPK-WDEREUQCSA-N 1 0 316.239 3.478 20 10 DGCDRO COc1ccc(C[NH2+]C(C2CCC2)C2CCC2)c(O)c1OC ZINC000894429741 618324905 /nfs/dbraw/zinc/32/49/05/618324905.db2.gz JPTXRHBOXIJNLK-UHFFFAOYSA-N 1 0 305.418 3.468 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000840894448 618337487 /nfs/dbraw/zinc/33/74/87/618337487.db2.gz RNZAYKYOJDFWHE-GJZGRUSLSA-N 1 0 300.450 3.076 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000894475009 618348671 /nfs/dbraw/zinc/34/86/71/618348671.db2.gz HWGXIIKIFQZIRF-MSOLQXFVSA-N 1 0 305.418 3.004 20 10 DGCDRO COc1cc(C)cc(CNc2ccccc2CC[NH+](C)C)c1O ZINC000894532196 618373997 /nfs/dbraw/zinc/37/39/97/618373997.db2.gz BAYRRBNELMJHRS-UHFFFAOYSA-N 1 0 314.429 3.425 20 10 DGCDRO C=Cc1ccc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000894564598 618386962 /nfs/dbraw/zinc/38/69/62/618386962.db2.gz TYJDYPARHHBBQI-UHFFFAOYSA-N 1 0 313.397 3.385 20 10 DGCDRO Cc1cc(C(=O)NCC[NH+](C)C)c(C)n1-c1cccc(Cl)c1 ZINC000920398119 620800617 /nfs/dbraw/zinc/80/06/17/620800617.db2.gz GZXCOKWEKKETPV-UHFFFAOYSA-N 1 0 319.836 3.039 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1O ZINC000840896619 618405152 /nfs/dbraw/zinc/40/51/52/618405152.db2.gz JIVRHIGSBZXXPD-HIFRSBDPSA-N 1 0 300.377 3.461 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2OC)c(O)c1 ZINC000894640556 618408842 /nfs/dbraw/zinc/40/88/42/618408842.db2.gz ZPNNZHJIMMVMPY-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1O ZINC000894748839 618443660 /nfs/dbraw/zinc/44/36/60/618443660.db2.gz XPNBCCMUQLZRHT-HOCLYGCPSA-N 1 0 307.434 3.225 20 10 DGCDRO O=C(C1=CC(=O)CS1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000854470222 620806599 /nfs/dbraw/zinc/80/65/99/620806599.db2.gz YTMPVEQJSHURLT-UHFFFAOYSA-N 1 0 322.474 3.324 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894780991 618455664 /nfs/dbraw/zinc/45/56/64/618455664.db2.gz BUEVVBPUUIICQI-LBPRGKRZSA-N 1 0 317.385 3.274 20 10 DGCDRO COc1ccc(C[NH+]2CC(C3CCCCC3)C2)c(O)c1OC ZINC000894825279 618468215 /nfs/dbraw/zinc/46/82/15/618468215.db2.gz KBJWFPCQKTWFDS-UHFFFAOYSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1O ZINC000894902656 618495293 /nfs/dbraw/zinc/49/52/93/618495293.db2.gz KHVCWHWVVQFWAH-NVXWUHKLSA-N 1 0 309.450 3.088 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)CC(F)(F)F ZINC000894906626 618497465 /nfs/dbraw/zinc/49/74/65/618497465.db2.gz RSBUEUBSKDHBNM-SNVBAGLBSA-N 1 0 321.339 3.478 20 10 DGCDRO COc1ccc(C[N@@H+]2CCSC[C@H]2C2CCC2)c(O)c1OC ZINC000894961526 618502819 /nfs/dbraw/zinc/50/28/19/618502819.db2.gz OEDHXCPEGCJBMQ-AWEZNQCLSA-N 1 0 323.458 3.127 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CC23CCSCC3)c(O)c1OC ZINC000894967593 618504364 /nfs/dbraw/zinc/50/43/64/618504364.db2.gz MTSVADBOTWSULG-CYBMUJFWSA-N 1 0 323.458 3.032 20 10 DGCDRO Cc1cccc(O)c1CN(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111204 618539980 /nfs/dbraw/zinc/53/99/80/618539980.db2.gz BRFCCJKRRMQYFM-WKILWMFISA-N 1 0 311.429 3.372 20 10 DGCDRO COCc1csc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000895269221 618585080 /nfs/dbraw/zinc/58/50/80/618585080.db2.gz CEYLRNLBYWGHGL-UHFFFAOYSA-N 1 0 307.415 3.207 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)c2nc(C)cs2)c(O)c1OC ZINC000893562764 618603661 /nfs/dbraw/zinc/60/36/61/618603661.db2.gz FGDRXLCOVLIMAW-JTQLQIEISA-N 1 0 322.430 3.068 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840935384 618609964 /nfs/dbraw/zinc/60/99/64/618609964.db2.gz NUDDQBZTQHKGTG-CECAUBDESA-N 1 0 322.518 3.230 20 10 DGCDRO COc1ccc(C[NH2+]C(C)(C)c2ccc(C)nc2)c(O)c1OC ZINC000893580975 618610947 /nfs/dbraw/zinc/61/09/47/618610947.db2.gz MSTPBJOCANTTSN-UHFFFAOYSA-N 1 0 316.401 3.138 20 10 DGCDRO CC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@@H](C)[S@]1=O ZINC000840948245 618620940 /nfs/dbraw/zinc/62/09/40/618620940.db2.gz NKFWKVFMQUHATD-FKANQGBASA-N 1 0 315.866 3.085 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C(F)(F)F)CCCN2)c1 ZINC000925855831 618647232 /nfs/dbraw/zinc/64/72/32/618647232.db2.gz PROGJTOGTTXADC-FZMZJTMJSA-N 1 0 302.340 3.036 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925882488 618651986 /nfs/dbraw/zinc/65/19/86/618651986.db2.gz NEOQZUKYXKXRIM-AEJSXWLSSA-N 1 0 303.233 3.477 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccncc1F ZINC000840975752 618652072 /nfs/dbraw/zinc/65/20/72/618652072.db2.gz LNKHNXBAQMQDAD-AWEZNQCLSA-N 1 0 301.409 3.316 20 10 DGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894077891 618706536 /nfs/dbraw/zinc/70/65/36/618706536.db2.gz WRJQTYCWKKOHRZ-SFHVURJKSA-N 1 0 323.433 3.191 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2cc(C)cc(OC)c2O)cc1F ZINC000894224856 618733649 /nfs/dbraw/zinc/73/36/49/618733649.db2.gz HGRYKBMYUQSMGF-UHFFFAOYSA-N 1 0 319.376 3.189 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(N(C)C)c2)c1O ZINC000894237813 618736004 /nfs/dbraw/zinc/73/60/04/618736004.db2.gz JIICLFAKSCLIPF-UHFFFAOYSA-N 1 0 300.402 3.065 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](O)c2ccccc2)c1O ZINC000894365864 618772520 /nfs/dbraw/zinc/77/25/20/618772520.db2.gz AXVCKTAGIPNCBU-RHSMWYFYSA-N 1 0 315.413 3.311 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000894369666 618773278 /nfs/dbraw/zinc/77/32/78/618773278.db2.gz BCOIPTUURMFZLS-GFCCVEGCSA-N 1 0 316.357 3.468 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1O ZINC000895413447 618781003 /nfs/dbraw/zinc/78/10/03/618781003.db2.gz DEVQNVTWLYGOAO-HNNXBMFYSA-N 1 0 313.397 3.404 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c(O)c1OC ZINC000895514611 618794033 /nfs/dbraw/zinc/79/40/33/618794033.db2.gz VRMJTBDPMBYSBC-JTQLQIEISA-N 1 0 320.216 3.083 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000895577756 618801056 /nfs/dbraw/zinc/80/10/56/618801056.db2.gz SNJLFLYMJVRDMZ-LBPRGKRZSA-N 1 0 309.715 3.199 20 10 DGCDRO CCOc1ccc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c(O)c1 ZINC000895657675 618813110 /nfs/dbraw/zinc/81/31/10/618813110.db2.gz CXSWGLDBGPKLAK-GOSISDBHSA-N 1 0 315.413 3.393 20 10 DGCDRO Cc1cccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1O ZINC000895798669 618833239 /nfs/dbraw/zinc/83/32/39/618833239.db2.gz JEHYMHVMWYNNQB-KRWDZBQOSA-N 1 0 319.445 3.156 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC000895835825 618840061 /nfs/dbraw/zinc/84/00/61/618840061.db2.gz FSHOHMZLKLMFGS-ZDUSSCGKSA-N 1 0 323.742 3.101 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1F ZINC000895846420 618841237 /nfs/dbraw/zinc/84/12/37/618841237.db2.gz UBKFKXDIUAGFLR-SJKOYZFVSA-N 1 0 310.388 3.032 20 10 DGCDRO COC1(OC)CC2(C[N@H+](Cc3cccc(C)c3O)[C@@H]2C(C)C)C1 ZINC000895989611 618857869 /nfs/dbraw/zinc/85/78/69/618857869.db2.gz MGFQSCQESSPHED-QGZVFWFLSA-N 1 0 319.445 3.310 20 10 DGCDRO COc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c(O)c1OC ZINC000896258251 618893164 /nfs/dbraw/zinc/89/31/64/618893164.db2.gz XVYCZHKWGXDUFS-QXMXGUDHSA-N 1 0 323.458 3.173 20 10 DGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1c(C)cccc1O ZINC000896270612 618895478 /nfs/dbraw/zinc/89/54/78/618895478.db2.gz JSJHNXYYTGZOJO-UHFFFAOYSA-N 1 0 313.323 3.014 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1c(C)cc(CO)cc1C ZINC000896560376 618928454 /nfs/dbraw/zinc/92/84/54/618928454.db2.gz ASSNVRIOBBAIQE-UHFFFAOYSA-N 1 0 312.457 3.460 20 10 DGCDRO CO[C@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCSC1 ZINC000896575465 618929802 /nfs/dbraw/zinc/92/98/02/618929802.db2.gz QNNZSAQDAXDEES-KRWDZBQOSA-N 1 0 303.427 3.157 20 10 DGCDRO CC(C)O[C@@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCOC1 ZINC000896668906 618942279 /nfs/dbraw/zinc/94/22/79/618942279.db2.gz MOCLDCSUFYYGJY-LJQANCHMSA-N 1 0 315.413 3.219 20 10 DGCDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000896737351 618951549 /nfs/dbraw/zinc/95/15/49/618951549.db2.gz RRYAZBNSYZBJSG-KBXCAEBGSA-N 1 0 313.397 3.096 20 10 DGCDRO Cc1ccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000896808047 618961978 /nfs/dbraw/zinc/96/19/78/618961978.db2.gz BHKPEGADKVPNDO-TZMCWYRMSA-N 1 0 303.324 3.290 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000896810597 618964293 /nfs/dbraw/zinc/96/42/93/618964293.db2.gz WVYJBYRELMMVDV-SMDDNHRTSA-N 1 0 303.324 3.290 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2nc3c(s2)CCCC3)c1O ZINC000896823875 618965507 /nfs/dbraw/zinc/96/55/07/618965507.db2.gz XMYXJXBUNMGMCU-UHFFFAOYSA-N 1 0 318.442 3.334 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000896879109 618973942 /nfs/dbraw/zinc/97/39/42/618973942.db2.gz OKEBGMSWOSZJMH-HNNXBMFYSA-N 1 0 317.399 3.033 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000896879110 618974100 /nfs/dbraw/zinc/97/41/00/618974100.db2.gz OKEBGMSWOSZJMH-OAHLLOKOSA-N 1 0 317.399 3.033 20 10 DGCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cccc(CC)c3O)C2)n1 ZINC000897041999 619007489 /nfs/dbraw/zinc/00/74/89/619007489.db2.gz GGLBUAPVBBVVOK-DZGCQCFKSA-N 1 0 315.417 3.326 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3c(C)cccc3O)C2)n1 ZINC000897042933 619007506 /nfs/dbraw/zinc/00/75/06/619007506.db2.gz IKCOCKIUEJNVPX-OLZOCXBDSA-N 1 0 301.390 3.072 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cccc(CC)c3O)C2)n1 ZINC000897042003 619007522 /nfs/dbraw/zinc/00/75/22/619007522.db2.gz GGLBUAPVBBVVOK-UKRRQHHQSA-N 1 0 315.417 3.326 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000788978015 625310331 /nfs/dbraw/zinc/31/03/31/625310331.db2.gz LRHICTNWDQXQCT-BHIYHBOVSA-N 1 0 302.462 3.438 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c(O)c1OC ZINC000897224755 619032058 /nfs/dbraw/zinc/03/20/58/619032058.db2.gz FMSUWZYJTBMPKT-ZDUSSCGKSA-N 1 0 323.433 3.093 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc2n(n1)CCC2 ZINC000840720552 619052157 /nfs/dbraw/zinc/05/21/57/619052157.db2.gz OCHFKJBVYXRYDA-AWEZNQCLSA-N 1 0 310.445 3.063 20 10 DGCDRO CCOc1cccc(C[NH2+]CC(C)(C)C2CCOCC2)c1O ZINC000897451072 619129223 /nfs/dbraw/zinc/12/92/23/619129223.db2.gz JISKKVCGPGTEIC-UHFFFAOYSA-N 1 0 307.434 3.333 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@H]2CCC(C)(C)CO2)cc1OC ZINC000897478312 619134041 /nfs/dbraw/zinc/13/40/41/619134041.db2.gz PYVYLBTWNMQRCK-CQSZACIVSA-N 1 0 323.433 3.094 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(Cl)c2OC)c1 ZINC000897481235 619134839 /nfs/dbraw/zinc/13/48/39/619134839.db2.gz BQAAJRCXFZPIES-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)ccc1OC ZINC000897511521 619142059 /nfs/dbraw/zinc/14/20/59/619142059.db2.gz MUZNZINGCCAFJT-PKOBYXMFSA-N 1 0 319.445 3.279 20 10 DGCDRO CN(C)c1ccc([C@@H](CNc2ccc(F)cn2)[NH+](C)C)cc1 ZINC000897523879 619145209 /nfs/dbraw/zinc/14/52/09/619145209.db2.gz YVVGLSNXFHMHKG-MRXNPFEDSA-N 1 0 302.397 3.002 20 10 DGCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000897524896 619147985 /nfs/dbraw/zinc/14/79/85/619147985.db2.gz GBQQQDKLLPQSSC-HNNXBMFYSA-N 1 0 318.383 3.326 20 10 DGCDRO COc1cc(O)c(CNc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000841028031 619165087 /nfs/dbraw/zinc/16/50/87/619165087.db2.gz JSFCVZAJFDPXOM-LLVKDONJSA-N 1 0 302.374 3.041 20 10 DGCDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]CCc1ccc(N)cc1 ZINC000841035901 619176001 /nfs/dbraw/zinc/17/60/01/619176001.db2.gz PYEWFEJRXDJWCE-LJQANCHMSA-N 1 0 316.420 3.188 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(C)CCC3(CC2)OCCO3)cc1C ZINC000897719438 619176416 /nfs/dbraw/zinc/17/64/16/619176416.db2.gz AOEMISSHEGNHEU-UHFFFAOYSA-N 1 0 319.445 3.422 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)c1 ZINC000786953127 619184853 /nfs/dbraw/zinc/18/48/53/619184853.db2.gz KRZPGHBSQSGUOL-RNCFNFMXSA-N 1 0 307.312 3.019 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC000897862388 619189021 /nfs/dbraw/zinc/18/90/21/619189021.db2.gz GNSSGUVBUWWXQY-UHFFFAOYSA-N 1 0 315.344 3.081 20 10 DGCDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000897967752 619200293 /nfs/dbraw/zinc/20/02/93/619200293.db2.gz YAPALUYJPPJNFJ-LBPRGKRZSA-N 1 0 305.372 3.147 20 10 DGCDRO COc1ccc(C[NH2+]C(C)(C)CSC)cc1Cn1cccn1 ZINC000898304716 619235632 /nfs/dbraw/zinc/23/56/32/619235632.db2.gz JCULXEZXEKSRMG-UHFFFAOYSA-N 1 0 319.474 3.171 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c(O)c(C(C)(C)C)c1 ZINC000898377223 619240563 /nfs/dbraw/zinc/24/05/63/619240563.db2.gz SQZBRKLVXSNSRZ-DOTOQJQBSA-N 1 0 319.445 3.213 20 10 DGCDRO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000927081684 619263192 /nfs/dbraw/zinc/26/31/92/619263192.db2.gz VFOHQYWAJZINKO-ZFWWWQNUSA-N 1 0 301.386 3.002 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000898516056 619282996 /nfs/dbraw/zinc/28/29/96/619282996.db2.gz KRQPILBXSQNBIR-JKSUJKDBSA-N 1 0 319.445 3.430 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccncc1 ZINC000901705735 619533704 /nfs/dbraw/zinc/53/37/04/619533704.db2.gz GBNXLRWFUPKRTE-KXBFYZLASA-N 1 0 312.461 3.101 20 10 DGCDRO C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(N2CCCCC2)c(F)c1 ZINC000902465316 619641650 /nfs/dbraw/zinc/64/16/50/619641650.db2.gz FKSLCKALNMMHJX-AETAKHFUSA-N 1 0 317.452 3.360 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902761377 619672067 /nfs/dbraw/zinc/67/20/67/619672067.db2.gz OXTDFCVXPPPGAQ-IAGOWNOFSA-N 1 0 300.446 3.192 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)ncn3C)c1O ZINC000903202342 619736107 /nfs/dbraw/zinc/73/61/07/619736107.db2.gz ALAMHIRRHQPODD-GFCCVEGCSA-N 1 0 311.385 3.138 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000903240531 619743026 /nfs/dbraw/zinc/74/30/26/619743026.db2.gz ZPSBTBPIKRHHET-CYBMUJFWSA-N 1 0 320.433 3.409 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CC2(C3(O)CCC3)CC2)c2c1c(F)ccc2O ZINC000903257832 619746090 /nfs/dbraw/zinc/74/60/90/619746090.db2.gz LUZAGYBVGGJAHX-WCQYABFASA-N 1 0 305.393 3.364 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1ccccc1O ZINC000903271146 619749897 /nfs/dbraw/zinc/74/98/97/619749897.db2.gz JLWAOUQDGUZEES-XHSDSOJGSA-N 1 0 306.475 3.013 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000903271908 619750163 /nfs/dbraw/zinc/75/01/63/619750163.db2.gz QCPZVKQALNHNMU-KNBMTAEXSA-N 1 0 311.425 3.444 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)CCc2ccccc2)c1 ZINC000903293142 619752068 /nfs/dbraw/zinc/75/20/68/619752068.db2.gz PRMHZOZGQKKFBB-GDBMZVCRSA-N 1 0 315.413 3.045 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000903323376 619755937 /nfs/dbraw/zinc/75/59/37/619755937.db2.gz LPVLHZUPVKRZFV-GDBMZVCRSA-N 1 0 305.441 3.171 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(F)c2)c1 ZINC000903310302 619757408 /nfs/dbraw/zinc/75/74/08/619757408.db2.gz PUYJFKNWZWRGDM-KZULUSFZSA-N 1 0 319.376 3.098 20 10 DGCDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1=O ZINC000903391920 619766676 /nfs/dbraw/zinc/76/66/76/619766676.db2.gz JGQUILAROOBZHZ-CXAGYDPISA-N 1 0 312.413 3.207 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@@H]2C)c1O ZINC000903395294 619767062 /nfs/dbraw/zinc/76/70/62/619767062.db2.gz KUCGXPACSSGDRB-KWBADKCTSA-N 1 0 314.223 3.149 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)c1O ZINC000903395293 619767072 /nfs/dbraw/zinc/76/70/72/619767072.db2.gz KUCGXPACSSGDRB-GBIKHYSHSA-N 1 0 314.223 3.149 20 10 DGCDRO C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1cc(F)ccc1O ZINC000903381875 619769080 /nfs/dbraw/zinc/76/90/80/619769080.db2.gz ZJUPOCXANYVBII-GUYCJALGSA-N 1 0 317.408 3.270 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(N(C)C)cc1 ZINC000903386338 619769993 /nfs/dbraw/zinc/76/99/93/619769993.db2.gz BBRIMARMYRIAPP-ROUUACIJSA-N 1 0 318.461 3.131 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC23CCOCC3)c2c1c(F)ccc2O ZINC000903389898 619770923 /nfs/dbraw/zinc/77/09/23/619770923.db2.gz PBFNDRJYBGBFJW-ZLDLUXBVSA-N 1 0 321.392 3.007 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000903450665 619778991 /nfs/dbraw/zinc/77/89/91/619778991.db2.gz KFKNIRODGVKDFT-KFWWJZLASA-N 1 0 305.418 3.391 20 10 DGCDRO FC1(F)CC[NH2+]C[C@@H]1CNCc1ccc(N2CCCCC2)cc1 ZINC000903955413 619846650 /nfs/dbraw/zinc/84/66/50/619846650.db2.gz RGYFAZVRXORWEJ-MRXNPFEDSA-N 1 0 323.431 3.011 20 10 DGCDRO CCc1ccc(NC(=S)NCc2cc(N(C)C)cc[nH+]2)cc1 ZINC000905617562 620013024 /nfs/dbraw/zinc/01/30/24/620013024.db2.gz PUGYGWWYBCHYBP-UHFFFAOYSA-N 1 0 314.458 3.197 20 10 DGCDRO CCN(C)c1ccc(Cn2cc(C[N@H+](C)C(C)(C)C)nn2)cc1 ZINC000905803823 620031260 /nfs/dbraw/zinc/03/12/60/620031260.db2.gz UJHLCUPQCINJPX-UHFFFAOYSA-N 1 0 315.465 3.013 20 10 DGCDRO Oc1cccc(Cl)c1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841082397 620172207 /nfs/dbraw/zinc/17/22/07/620172207.db2.gz KQQBALVXMYGSDL-UHFFFAOYSA-N 1 0 304.777 3.140 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1 ZINC000912925568 620415455 /nfs/dbraw/zinc/41/54/55/620415455.db2.gz MZBFHXWBKWWCSB-IBGZPJMESA-N 1 0 323.440 3.014 20 10 DGCDRO Cc1ccc(O)c(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)c1 ZINC000913000306 620418988 /nfs/dbraw/zinc/41/89/88/620418988.db2.gz GPWICHJSCUXHAV-UHFFFAOYSA-N 1 0 323.396 3.235 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCS1 ZINC000152601585 620514246 /nfs/dbraw/zinc/51/42/46/620514246.db2.gz SJQVVKPJNSQPNY-LLVKDONJSA-N 1 0 302.237 3.140 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@]1(O)CCCc2ccccc21 ZINC000113340302 620904830 /nfs/dbraw/zinc/90/48/30/620904830.db2.gz KTEAVQRZYIYETC-GOSISDBHSA-N 1 0 317.816 3.359 20 10 DGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Cl)c1ccc(NC(N)=O)cc1 ZINC000113351634 620904936 /nfs/dbraw/zinc/90/49/36/620904936.db2.gz WACXVLQGESGJJA-JTQLQIEISA-N 1 0 319.792 3.387 20 10 DGCDRO CC(C)[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccnn1C ZINC000788077564 620906802 /nfs/dbraw/zinc/90/68/02/620906802.db2.gz XOFZCJRRRYWNEX-HNNXBMFYSA-N 1 0 318.440 3.155 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000921738879 620942385 /nfs/dbraw/zinc/94/23/85/620942385.db2.gz VRSSOBRPNVVUGO-LBPRGKRZSA-N 1 0 323.396 3.444 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](O)c1ccc(F)cc1 ZINC000921747980 620943729 /nfs/dbraw/zinc/94/37/29/620943729.db2.gz CASVHSIBFGGQNQ-BFUOFWGJSA-N 1 0 315.388 3.362 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cnn(CC3CCC3)c2)n1 ZINC000921755191 620944725 /nfs/dbraw/zinc/94/47/25/620944725.db2.gz QNHIVCUUTYGKCJ-UHFFFAOYSA-N 1 0 322.503 3.412 20 10 DGCDRO c1cc2c(s1)CCO[C@@H]2C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921792642 620950533 /nfs/dbraw/zinc/95/05/33/620950533.db2.gz OVGNKBDMAGGFNW-QGZVFWFLSA-N 1 0 315.438 3.477 20 10 DGCDRO CCc1cnc(CC[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000921793207 620950856 /nfs/dbraw/zinc/95/08/56/620950856.db2.gz HMJBBADPYDQMLU-UHFFFAOYSA-N 1 0 302.443 3.363 20 10 DGCDRO Cc1nc(CC[NH2+]Cc2ccc3c(c2)CCCO3)sc1C ZINC000921851262 620961631 /nfs/dbraw/zinc/96/16/31/620961631.db2.gz MSOGRVUSLPHWIC-UHFFFAOYSA-N 1 0 302.443 3.417 20 10 DGCDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000921968374 620974582 /nfs/dbraw/zinc/97/45/82/620974582.db2.gz LVVRQMNPHFCSOS-OAHLLOKOSA-N 1 0 303.446 3.290 20 10 DGCDRO c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)nc1 ZINC000922162538 620999137 /nfs/dbraw/zinc/99/91/37/620999137.db2.gz OLKKUMFJXVBLET-YLJYHZDGSA-N 1 0 324.424 3.417 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)CCCO2 ZINC000922315064 621022489 /nfs/dbraw/zinc/02/24/89/621022489.db2.gz WAJDETWWZRRMTQ-IEBWSBKVSA-N 1 0 301.430 3.306 20 10 DGCDRO CCN(C(=O)C[NH2+]Cc1cc(C)c(C)cc1O)c1ccccc1 ZINC000922476543 621043990 /nfs/dbraw/zinc/04/39/90/621043990.db2.gz CSOREJUTSBQUJQ-UHFFFAOYSA-N 1 0 312.413 3.152 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2cccc(F)c2)cc1C ZINC000922565238 621058235 /nfs/dbraw/zinc/05/82/35/621058235.db2.gz ZZOSLAKPHOZSOP-SFHVURJKSA-N 1 0 303.377 3.145 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(OC(C)C)CCOC2)c(Cl)c1 ZINC000922609300 621067038 /nfs/dbraw/zinc/06/70/38/621067038.db2.gz LSNWLSDRPAOQBZ-MRXNPFEDSA-N 1 0 313.825 3.028 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1O ZINC000922702745 621087791 /nfs/dbraw/zinc/08/77/91/621087791.db2.gz PZBLUKWLPPHDHQ-ZDUSSCGKSA-N 1 0 313.397 3.404 20 10 DGCDRO CCOc1cccc(C[NH2+]CCc2nc3c(s2)CCC3)c1O ZINC000922716541 621088981 /nfs/dbraw/zinc/08/89/81/621088981.db2.gz CGHJIIKKCSCUCM-UHFFFAOYSA-N 1 0 318.442 3.068 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCc2nc3c(s2)CCC3)c1 ZINC000922715844 621088990 /nfs/dbraw/zinc/08/89/90/621088990.db2.gz WAHQIWGCBDIGGR-UHFFFAOYSA-N 1 0 318.442 3.068 20 10 DGCDRO COc1cccc(C[NH2+]CCc2cccc3oc(C)nc32)c1O ZINC000922770168 621097621 /nfs/dbraw/zinc/09/76/21/621097621.db2.gz GFHSCQVTXRPWER-UHFFFAOYSA-N 1 0 312.369 3.183 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCS1 ZINC000922838895 621107717 /nfs/dbraw/zinc/10/77/17/621107717.db2.gz OXWADVUMCINHRV-GOEBONIOSA-N 1 0 320.502 3.021 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(C)ccc3O)C2)n1 ZINC000922864350 621111026 /nfs/dbraw/zinc/11/10/26/621111026.db2.gz DCHCTIMJLRSGMF-TZMCWYRMSA-N 1 0 301.390 3.072 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1 ZINC000922869114 621112205 /nfs/dbraw/zinc/11/22/05/621112205.db2.gz FFJDASPMNMTPRA-IATHNOKLSA-N 1 0 316.445 3.038 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)c(O)c1C ZINC000857875139 621126474 /nfs/dbraw/zinc/12/64/74/621126474.db2.gz HFURNZDIKRYGBT-KSSFIOAISA-N 1 0 324.424 3.373 20 10 DGCDRO CCOc1cccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c1O ZINC000922968885 621141265 /nfs/dbraw/zinc/14/12/65/621141265.db2.gz RUENNQCLCPOXAX-OAHLLOKOSA-N 1 0 305.418 3.372 20 10 DGCDRO CN(C)c1ccccc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858142267 621157317 /nfs/dbraw/zinc/15/73/17/621157317.db2.gz XOPIVXOSOJMZHF-UHFFFAOYSA-N 1 0 319.399 3.387 20 10 DGCDRO COCC1(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCC1 ZINC000858169489 621161185 /nfs/dbraw/zinc/16/11/85/621161185.db2.gz WVTMPWJFFVZTND-UHFFFAOYSA-N 1 0 312.404 3.327 20 10 DGCDRO Cc1cc(C[NH2+]Cc2c(O)cccc2Br)cc(C)n1 ZINC000858179016 621161881 /nfs/dbraw/zinc/16/18/81/621161881.db2.gz DSTYMIFJRTYEPB-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1 ZINC000858211999 621165055 /nfs/dbraw/zinc/16/50/55/621165055.db2.gz WFLZIDIPBNFOBK-SFHVURJKSA-N 1 0 313.397 3.022 20 10 DGCDRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1c(O)cccc1Cl ZINC000858210769 621165179 /nfs/dbraw/zinc/16/51/79/621165179.db2.gz DISCYGWQJMTSPW-UHFFFAOYSA-N 1 0 319.714 3.088 20 10 DGCDRO COc1cc2c(c(C[NH2+]Cc3cc(C)ccc3O)c1)O[C@@H](C)C2 ZINC000858238132 621167299 /nfs/dbraw/zinc/16/72/99/621167299.db2.gz VVBGEYAOWFJILE-ZDUSSCGKSA-N 1 0 313.397 3.322 20 10 DGCDRO CC(C)CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000858241316 621167321 /nfs/dbraw/zinc/16/73/21/621167321.db2.gz OXYOFHUBZBELTG-CYBMUJFWSA-N 1 0 316.239 3.041 20 10 DGCDRO COc1nccc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000858295329 621172764 /nfs/dbraw/zinc/17/27/64/621172764.db2.gz ZIDXVFCWFAMWOX-UHFFFAOYSA-N 1 0 322.412 3.183 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCCCO1 ZINC000858355382 621180304 /nfs/dbraw/zinc/18/03/04/621180304.db2.gz SSSOCFYMLTWUQQ-YJBOKZPZSA-N 1 0 320.502 3.287 20 10 DGCDRO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000858473890 621195618 /nfs/dbraw/zinc/19/56/18/621195618.db2.gz RLFXELRJDNFZIM-MFKMUULPSA-N 1 0 309.793 3.266 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)C1 ZINC000858508729 621200270 /nfs/dbraw/zinc/20/02/70/621200270.db2.gz OPDLDEJURATYJE-HOCLYGCPSA-N 1 0 303.402 3.393 20 10 DGCDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000858592481 621208089 /nfs/dbraw/zinc/20/80/89/621208089.db2.gz DBIZOTGPKFOGEA-MXWKQRLJSA-N 1 0 303.324 3.487 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccc4c(n3)CCC4)ccc21 ZINC000838917940 621297840 /nfs/dbraw/zinc/29/78/40/621297840.db2.gz OCKXXRCZSYHDOU-UHFFFAOYSA-N 1 0 307.441 3.243 20 10 DGCDRO CC1(C)CC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000839144635 621332472 /nfs/dbraw/zinc/33/24/72/621332472.db2.gz ISUQFLXHBJBIJD-AWEZNQCLSA-N 1 0 324.415 3.470 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc(F)c1N1CCOCC1 ZINC000839145191 621332527 /nfs/dbraw/zinc/33/25/27/621332527.db2.gz NJYXGUGIVUTJOS-WMLDXEAASA-N 1 0 322.399 3.080 20 10 DGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146450 621333083 /nfs/dbraw/zinc/33/30/83/621333083.db2.gz HUBIMZNLJNBLSW-OLZOCXBDSA-N 1 0 312.404 3.326 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CC2(C1)CCCCC2 ZINC000839133197 621339049 /nfs/dbraw/zinc/33/90/49/621339049.db2.gz WYFDVGCVVKQDOS-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO Fc1cc(C[NH+]2CC(C3CCCC3)C2)ccc1N1CCOCC1 ZINC000839143180 621340878 /nfs/dbraw/zinc/34/08/78/621340878.db2.gz NMKXQYUVOFSOQY-UHFFFAOYSA-N 1 0 318.436 3.284 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)ccc1OC ZINC000839183067 621344388 /nfs/dbraw/zinc/34/43/88/621344388.db2.gz STBSOPXVTOGEOV-ROUUACIJSA-N 1 0 319.445 3.279 20 10 DGCDRO Cc1cc(NCc2cc(F)ccc2O)ccc1OCC[NH+](C)C ZINC000839183423 621344671 /nfs/dbraw/zinc/34/46/71/621344671.db2.gz AATRAJDECQCAIF-UHFFFAOYSA-N 1 0 318.392 3.392 20 10 DGCDRO CCOc1cccc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000839192557 621347789 /nfs/dbraw/zinc/34/77/89/621347789.db2.gz KPINQLQZAUMTMZ-CYBMUJFWSA-N 1 0 323.433 3.201 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1N(C)C ZINC000839201529 621351203 /nfs/dbraw/zinc/35/12/03/621351203.db2.gz MULMQDOEWJCXNB-AZUAARDMSA-N 1 0 316.489 3.434 20 10 DGCDRO CC(C)C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000753373362 621438169 /nfs/dbraw/zinc/43/81/69/621438169.db2.gz KBBHDTINJPAKBY-UHFFFAOYSA-N 1 0 306.425 3.188 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(C)cc3)CC2)c1 ZINC000753577344 621450378 /nfs/dbraw/zinc/45/03/78/621450378.db2.gz SIYBMDQUDCXXRT-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@]2(C)CCO[C@H]2C)c1O ZINC000753577379 621450548 /nfs/dbraw/zinc/45/05/48/621450548.db2.gz USAOUTTUXMMXGA-IINYFYTJSA-N 1 0 314.223 3.120 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3cc(OC)ccc3C2)c1 ZINC000753574966 621450553 /nfs/dbraw/zinc/45/05/53/621450553.db2.gz GUXVVBSTOQUIAT-MRXNPFEDSA-N 1 0 313.397 3.057 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1C ZINC000754834074 621536053 /nfs/dbraw/zinc/53/60/53/621536053.db2.gz OBGCPVDONDFZHS-KBAYOESNSA-N 1 0 301.430 3.441 20 10 DGCDRO CC[N@H+](CCc1ccccn1)Cc1cc(F)c(N(C)C)cc1F ZINC000862232119 621564328 /nfs/dbraw/zinc/56/43/28/621564328.db2.gz PWCVHRUAVLDELF-UHFFFAOYSA-N 1 0 319.399 3.490 20 10 DGCDRO CN(C)c1cc(F)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1F ZINC000862336936 621575681 /nfs/dbraw/zinc/57/56/81/621575681.db2.gz ONFDNRKKURVMRT-SFHVURJKSA-N 1 0 324.415 3.422 20 10 DGCDRO C[C@@H](CO)[N@@H+](Cc1cc(F)c(N(C)C)cc1F)CC1CCC1 ZINC000862358870 621577896 /nfs/dbraw/zinc/57/78/96/621577896.db2.gz YKYPYTUAATXVQP-LBPRGKRZSA-N 1 0 312.404 3.014 20 10 DGCDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(Br)cc(C)c1O ZINC000862387449 621582827 /nfs/dbraw/zinc/58/28/27/621582827.db2.gz LYEAQBMIYHYPPN-LLVKDONJSA-N 1 0 316.239 3.056 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@]3(C)CCCS3)C2)cc1 ZINC000862397154 621584571 /nfs/dbraw/zinc/58/45/71/621584571.db2.gz CAEJWRZJCYHMLP-MAUKXSAKSA-N 1 0 320.502 3.397 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@]3(C)CCCS3)C2)cc1 ZINC000862407732 621585969 /nfs/dbraw/zinc/58/59/69/621585969.db2.gz KZCRAWLAFSQDKW-RHSMWYFYSA-N 1 0 306.475 3.149 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(N2CCOCC2)c(F)c1 ZINC000118945570 621591794 /nfs/dbraw/zinc/59/17/94/621591794.db2.gz FTKBJADWNKZXIL-ZFWWWQNUSA-N 1 0 324.465 3.209 20 10 DGCDRO Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862541531 621598682 /nfs/dbraw/zinc/59/86/82/621598682.db2.gz RWSSTBYSFUMUCC-CYBMUJFWSA-N 1 0 308.422 3.046 20 10 DGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C(C)C)c(C)cc2O)C[C@H]1C ZINC000755939341 621605520 /nfs/dbraw/zinc/60/55/20/621605520.db2.gz YVNFRBLYCOYDRR-CZUORRHYSA-N 1 0 305.418 3.065 20 10 DGCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000862756959 621613958 /nfs/dbraw/zinc/61/39/58/621613958.db2.gz BVIBXBLTRGBLGE-KRWDZBQOSA-N 1 0 316.445 3.114 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000756136406 621617645 /nfs/dbraw/zinc/61/76/45/621617645.db2.gz IEXYUFLWAIZQBK-UHFFFAOYSA-N 1 0 311.429 3.192 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccnn2CCc2ccccc2)c1 ZINC000756140924 621617998 /nfs/dbraw/zinc/61/79/98/621617998.db2.gz UUDJKTRLTWRJBS-UHFFFAOYSA-N 1 0 321.424 3.430 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000119240367 621633025 /nfs/dbraw/zinc/63/30/25/621633025.db2.gz NUOSLGJDEUJCDL-NVXWUHKLSA-N 1 0 318.461 3.131 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000756380247 621633430 /nfs/dbraw/zinc/63/34/30/621633430.db2.gz FQGRODMLDPITKY-GXFFZTMASA-N 1 0 302.349 3.273 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(F)ccc1O ZINC000756460844 621640194 /nfs/dbraw/zinc/64/01/94/621640194.db2.gz UIRHEQNVTUYNLI-ZFWWWQNUSA-N 1 0 303.377 3.033 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(O)c1C ZINC000756503398 621642894 /nfs/dbraw/zinc/64/28/94/621642894.db2.gz NIAHEUICACEJGB-OLZOCXBDSA-N 1 0 316.367 3.296 20 10 DGCDRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000756555061 621647618 /nfs/dbraw/zinc/64/76/18/621647618.db2.gz QIPMWDQVYPCMFE-HNNXBMFYSA-N 1 0 320.477 3.241 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c2c1c(F)ccc2O ZINC000756568399 621649815 /nfs/dbraw/zinc/64/98/15/621649815.db2.gz DSNPPJMIGDZZQD-GXSJLCMTSA-N 1 0 320.330 3.163 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCN(C)CC(F)(F)F)c2c1c(F)ccc2O ZINC000756568402 621649865 /nfs/dbraw/zinc/64/98/65/621649865.db2.gz DSNPPJMIGDZZQD-KOLCDFICSA-N 1 0 320.330 3.163 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)c2c1c(F)ccc2O ZINC000756584851 621651109 /nfs/dbraw/zinc/65/11/09/621651109.db2.gz HDTJTWQPBFDWFW-KCPJHIHWSA-N 1 0 301.361 3.403 20 10 DGCDRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc2ccccc2c1O ZINC000756582546 621651146 /nfs/dbraw/zinc/65/11/46/621651146.db2.gz JUYVIBISBRNYOS-GOEBONIOSA-N 1 0 315.413 3.392 20 10 DGCDRO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000756614935 621652507 /nfs/dbraw/zinc/65/25/07/621652507.db2.gz CIEVMOFBOAHOOQ-GJZGRUSLSA-N 1 0 302.462 3.406 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756611145 621652721 /nfs/dbraw/zinc/65/27/21/621652721.db2.gz KEPOWSMPXSUDHX-JKIFEVAISA-N 1 0 302.462 3.404 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccccc2)c2c1c(F)ccc2O ZINC000756632999 621654773 /nfs/dbraw/zinc/65/47/73/621654773.db2.gz GKGHMPKXOXYLFR-XNRPHZJLSA-N 1 0 315.388 3.445 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c2c1c(F)ccc2O ZINC000756640104 621655080 /nfs/dbraw/zinc/65/50/80/621655080.db2.gz IRUPUQUBAOJXII-ZAZJYDDPSA-N 1 0 304.409 3.294 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Cl)ccc1O ZINC000756661336 621656987 /nfs/dbraw/zinc/65/69/87/621656987.db2.gz RANFJMOBFADVSO-NEPJUHHUSA-N 1 0 309.793 3.140 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1 ZINC000756661221 621657106 /nfs/dbraw/zinc/65/71/06/621657106.db2.gz ZHISBLNFKOWEHD-GDBMZVCRSA-N 1 0 316.445 3.142 20 10 DGCDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756671256 621657819 /nfs/dbraw/zinc/65/78/19/621657819.db2.gz FXZAPFUSBOUYFN-GHMZBOCLSA-N 1 0 324.222 3.091 20 10 DGCDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756712040 621659878 /nfs/dbraw/zinc/65/98/78/621659878.db2.gz PDXRXTFFAZHRRL-IGCXYCKISA-N 1 0 303.377 3.347 20 10 DGCDRO C[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1cc(F)ccc1O ZINC000756733551 621661329 /nfs/dbraw/zinc/66/13/29/621661329.db2.gz PXNWKKOZIRHILN-JTQLQIEISA-N 1 0 317.339 3.408 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCCOC2CCOCC2)c2c1c(F)ccc2O ZINC000756734787 621661401 /nfs/dbraw/zinc/66/14/01/621661401.db2.gz ZNWOCXMHIKFWDK-IUODEOHRSA-N 1 0 323.408 3.255 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c1 ZINC000756738079 621661864 /nfs/dbraw/zinc/66/18/64/621661864.db2.gz JCUCDIWWJHVAPU-MEDUHNTESA-N 1 0 307.340 3.363 20 10 DGCDRO Cc1cccc(NCC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000756746200 621662401 /nfs/dbraw/zinc/66/24/01/621662401.db2.gz IOEKDYMBGDHKQB-SMDDNHRTSA-N 1 0 315.392 3.485 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)c2c1c(F)ccc2O ZINC000756761910 621662768 /nfs/dbraw/zinc/66/27/68/621662768.db2.gz NBMPYOQBMSOOOJ-WQAKAFBOSA-N 1 0 301.365 3.470 20 10 DGCDRO COC[C@@]1(C)C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000863339334 621664579 /nfs/dbraw/zinc/66/45/79/621664579.db2.gz BPIIQIOPTFCWNE-LJQANCHMSA-N 1 0 321.461 3.235 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc(CO)cc1)c1cc(Cl)ccc1O ZINC000756791686 621664926 /nfs/dbraw/zinc/66/49/26/621664926.db2.gz UFMQOPOQNMCQDT-LBPRGKRZSA-N 1 0 305.805 3.431 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCCOC(C)(C)C)CC2)cc1 ZINC000756813270 621666061 /nfs/dbraw/zinc/66/60/61/621666061.db2.gz QLWMKVVZAHMJNP-UHFFFAOYSA-N 1 0 320.477 3.413 20 10 DGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(F)(F)F ZINC000756835499 621666986 /nfs/dbraw/zinc/66/69/86/621666986.db2.gz NJMZZDJXSVRUQT-BMIGLBTASA-N 1 0 317.351 3.499 20 10 DGCDRO Cc1cc(C[NH2+]C[C@@H](O)c2ccccn2)c(C)n1-c1ccccc1 ZINC000863583544 621685479 /nfs/dbraw/zinc/68/54/79/621685479.db2.gz ZIKGCQWXJNCMEC-HXUWFJFHSA-N 1 0 321.424 3.312 20 10 DGCDRO CO[C@](C)([C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000839641607 621706710 /nfs/dbraw/zinc/70/67/10/621706710.db2.gz WRYLGORCBXYRMB-APPDUMDISA-N 1 0 309.381 3.027 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)ccc1N(C)C ZINC000839638306 621706805 /nfs/dbraw/zinc/70/68/05/621706805.db2.gz ZMWCKTOKFRDRGB-QUCCMNQESA-N 1 0 310.441 3.369 20 10 DGCDRO Clc1cccc2c1OC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000757706894 621734894 /nfs/dbraw/zinc/73/48/94/621734894.db2.gz PRZHKNQPAIDEKS-HNNXBMFYSA-N 1 0 301.773 3.498 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCC2CCC(OC)CC2)c1 ZINC000757983996 621750980 /nfs/dbraw/zinc/75/09/80/621750980.db2.gz FLRSYPQTQFGOIE-UHFFFAOYSA-N 1 0 307.434 3.476 20 10 DGCDRO COc1cccc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1O ZINC000758062558 621756186 /nfs/dbraw/zinc/75/61/86/621756186.db2.gz KTEYCFWGGSGZKW-KRWDZBQOSA-N 1 0 305.418 3.182 20 10 DGCDRO FC(F)Oc1ccc(N2CCC([NH2+]Cc3cocn3)CC2)cc1 ZINC000758334117 621775211 /nfs/dbraw/zinc/77/52/11/621775211.db2.gz DTTFCAIDJQZVKS-UHFFFAOYSA-N 1 0 323.343 3.035 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CC23CCCC3)ccc1N1CCOCC1 ZINC000758525756 621786661 /nfs/dbraw/zinc/78/66/61/621786661.db2.gz PPLQHYGXOVXCSL-QGZVFWFLSA-N 1 0 304.409 3.085 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC(CC(F)(F)F)CC1)OCO2 ZINC000789529497 625517726 /nfs/dbraw/zinc/51/77/26/625517726.db2.gz XXSUZNPCAZOLOQ-UHFFFAOYSA-N 1 0 317.307 3.285 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000789545425 625521037 /nfs/dbraw/zinc/52/10/37/625521037.db2.gz LJOIOJRWFVHBSU-LJQANCHMSA-N 1 0 319.445 3.398 20 10 DGCDRO Cc1nc2ccccn2c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000759468075 621862537 /nfs/dbraw/zinc/86/25/37/621862537.db2.gz CIYRPDPPJKXOEU-UHFFFAOYSA-N 1 0 308.429 3.341 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c(O)cccc1OC ZINC000789584024 625530363 /nfs/dbraw/zinc/53/03/63/625530363.db2.gz BJBSZTKWOCCTJW-MRXNPFEDSA-N 1 0 315.413 3.090 20 10 DGCDRO CCN(CC)c1ccc(CNCc2ncnn2C(C)C)cc1F ZINC000865457104 621925754 /nfs/dbraw/zinc/92/57/54/621925754.db2.gz WCXTUKIWSHSEKY-UHFFFAOYSA-N 1 0 319.428 3.134 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccc(N(C)C)cc1 ZINC000865530781 621944886 /nfs/dbraw/zinc/94/48/86/621944886.db2.gz BKHYCJLEJGCITI-GFCCVEGCSA-N 1 0 311.385 3.450 20 10 DGCDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000760660901 621956493 /nfs/dbraw/zinc/95/64/93/621956493.db2.gz QTASXIUIWWYOLZ-CQSZACIVSA-N 1 0 316.367 3.344 20 10 DGCDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000760660897 621956666 /nfs/dbraw/zinc/95/66/66/621956666.db2.gz QTASXIUIWWYOLZ-AWEZNQCLSA-N 1 0 316.367 3.344 20 10 DGCDRO CCC(CC)(C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)OC ZINC000760881333 621970996 /nfs/dbraw/zinc/97/09/96/621970996.db2.gz HKJQWDVDFSQSGK-AWEZNQCLSA-N 1 0 306.450 3.383 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]CC(C)(C)F)c1O ZINC000865654602 621972206 /nfs/dbraw/zinc/97/22/06/621972206.db2.gz RXASUVMMSWXUQQ-UHFFFAOYSA-N 1 0 306.175 3.001 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1 ZINC000865663768 621974118 /nfs/dbraw/zinc/97/41/18/621974118.db2.gz YQHGVOYCWJKSRP-IYBDPMFKSA-N 1 0 316.470 3.245 20 10 DGCDRO C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)CC1(C)OCCO1 ZINC000865672400 621975838 /nfs/dbraw/zinc/97/58/38/621975838.db2.gz JJSRSOFERDORKO-SQRWCISFSA-N 1 0 318.461 3.145 20 10 DGCDRO Cc1cc(O)c(CNc2cnn(C3CC[NH+](C)CC3)c2)cc1C ZINC000865704567 621980902 /nfs/dbraw/zinc/98/09/02/621980902.db2.gz VXBCXQCRNDIVKX-UHFFFAOYSA-N 1 0 314.433 3.084 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1C ZINC000762611068 622086122 /nfs/dbraw/zinc/08/61/22/622086122.db2.gz CIVGFUWKBYWDLE-FVQBIDKESA-N 1 0 309.500 3.478 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000866444834 622119487 /nfs/dbraw/zinc/11/94/87/622119487.db2.gz KORJKWXVXNENAP-RDJPOBJMSA-N 1 0 300.446 3.217 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866465791 622122765 /nfs/dbraw/zinc/12/27/65/622122765.db2.gz VKIYWPRTXUYCPQ-DDTOSNHZSA-N 1 0 304.356 3.105 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c1 ZINC000866529886 622132276 /nfs/dbraw/zinc/13/22/76/622132276.db2.gz TVLCMASUVVZODM-UONOGXRCSA-N 1 0 305.418 3.258 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c1O ZINC000866532057 622133234 /nfs/dbraw/zinc/13/32/34/622133234.db2.gz VIMOAZVPLXUPSY-ZIAGYGMSSA-N 1 0 305.418 3.258 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(C)cc1O ZINC000866533372 622133592 /nfs/dbraw/zinc/13/35/92/622133592.db2.gz QKYVBZCSASDQTQ-WBVHZDCISA-N 1 0 319.445 3.327 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c(O)c1C ZINC000866533747 622133970 /nfs/dbraw/zinc/13/39/70/622133970.db2.gz VBCFZRSAMGITCI-HOTGVXAUSA-N 1 0 319.445 3.245 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000866539082 622135094 /nfs/dbraw/zinc/13/50/94/622135094.db2.gz FDOBNTZTDNWCQD-IFIJOSMWSA-N 1 0 305.418 3.114 20 10 DGCDRO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)C1CCCCC1 ZINC000121147929 622146183 /nfs/dbraw/zinc/14/61/83/622146183.db2.gz BLHPTUCHZXESGC-HNNXBMFYSA-N 1 0 318.461 3.394 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](CC)[NH+](CC)CC ZINC000764228228 622184903 /nfs/dbraw/zinc/18/49/03/622184903.db2.gz WDWRFZYSXSOPBE-INIZCTEOSA-N 1 0 306.450 3.251 20 10 DGCDRO c1csc(SCCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000121884764 622189524 /nfs/dbraw/zinc/18/95/24/622189524.db2.gz XZTJKJQUMSVZNF-AVGNSLFASA-N 1 0 310.488 3.173 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2nnc3ccccn32)cc1 ZINC000764640376 622209573 /nfs/dbraw/zinc/20/95/73/622209573.db2.gz RUAHVOOQSIUCLJ-OAHLLOKOSA-N 1 0 323.444 3.079 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)CO)c1cc(Br)ccc1O ZINC000122009149 622215601 /nfs/dbraw/zinc/21/56/01/622215601.db2.gz YSYDZSABVAPEQI-LBPRGKRZSA-N 1 0 316.239 3.214 20 10 DGCDRO COc1cccc(OCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000764760392 622218013 /nfs/dbraw/zinc/21/80/13/622218013.db2.gz IRKMJCKTXDVMJM-OAHLLOKOSA-N 1 0 314.429 3.491 20 10 DGCDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000765077270 622244327 /nfs/dbraw/zinc/24/43/27/622244327.db2.gz BOCXQBVHBQWQBA-KRWDZBQOSA-N 1 0 322.518 3.391 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765416382 622263997 /nfs/dbraw/zinc/26/39/97/622263997.db2.gz LSSBODJFVJYPSG-MRXNPFEDSA-N 1 0 309.457 3.466 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766029947 622300875 /nfs/dbraw/zinc/30/08/75/622300875.db2.gz QJPQCADEMAGSRP-IBGZPJMESA-N 1 0 312.457 3.408 20 10 DGCDRO CCc1cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000766135613 622308082 /nfs/dbraw/zinc/30/80/82/622308082.db2.gz MGVDOQXMDWMHFQ-UHFFFAOYSA-N 1 0 315.417 3.004 20 10 DGCDRO COC(=O)c1cc(C[N@H+](C)Cc2cc(C)ccc2O)oc1C ZINC000122436953 622318613 /nfs/dbraw/zinc/31/86/13/622318613.db2.gz OHFNKYYOQAXEEY-UHFFFAOYSA-N 1 0 303.358 3.021 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000766583957 622340626 /nfs/dbraw/zinc/34/06/26/622340626.db2.gz LTTCTHFPCFIHFI-YZVOILCLSA-N 1 0 301.478 3.276 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c(O)c1 ZINC000767196975 622382073 /nfs/dbraw/zinc/38/20/73/622382073.db2.gz ZWMRVLZPNBYNCS-ZWKOTPCHSA-N 1 0 305.418 3.086 20 10 DGCDRO CCOc1cccc(C[NH2+]CCN2CCCC(C)(C)C2)c1O ZINC000767736300 622419574 /nfs/dbraw/zinc/41/95/74/622419574.db2.gz CYQLXBDDWQVYBR-UHFFFAOYSA-N 1 0 306.450 3.003 20 10 DGCDRO FC1(F)CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000767927804 622428880 /nfs/dbraw/zinc/42/88/80/622428880.db2.gz CTWIXOUKDIWECN-HNNXBMFYSA-N 1 0 310.388 3.191 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3ncc(C)s3)CC2)cc1 ZINC000122933948 622432807 /nfs/dbraw/zinc/43/28/07/622432807.db2.gz FLPPLZCGLNURER-UHFFFAOYSA-N 1 0 317.458 3.219 20 10 DGCDRO C[N@H+](Cc1cccs1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768161301 622442675 /nfs/dbraw/zinc/44/26/75/622442675.db2.gz WUCASVDDBUYVBQ-UHFFFAOYSA-N 1 0 320.433 3.356 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3ccccc3C)CC2)c1 ZINC000768195064 622445073 /nfs/dbraw/zinc/44/50/73/622445073.db2.gz KISJJTDJQAHDOZ-UHFFFAOYSA-N 1 0 310.441 3.327 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnc3cnccn23)cc1 ZINC000768207421 622445362 /nfs/dbraw/zinc/44/53/62/622445362.db2.gz IIOISAQUPFHWEF-UHFFFAOYSA-N 1 0 323.444 3.208 20 10 DGCDRO CCCCC[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000768241545 622447296 /nfs/dbraw/zinc/44/72/96/622447296.db2.gz STFIHCCHYRNDEH-UHFFFAOYSA-N 1 0 316.239 3.139 20 10 DGCDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000768402881 622454870 /nfs/dbraw/zinc/45/48/70/622454870.db2.gz RUPPWDIRCWIBGB-MRXNPFEDSA-N 1 0 312.461 3.131 20 10 DGCDRO CC(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768449286 622456683 /nfs/dbraw/zinc/45/66/83/622456683.db2.gz ZABGVBPIQVSICB-SUMWQHHRSA-N 1 0 305.418 3.076 20 10 DGCDRO COc1cc(CN2CCC[N@@H+](C(C)(C)C)CC2)c(O)cc1C ZINC000768446376 622457064 /nfs/dbraw/zinc/45/70/64/622457064.db2.gz WZPFILATNBGUGR-UHFFFAOYSA-N 1 0 306.450 3.015 20 10 DGCDRO COc1cc(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c(O)cc1C ZINC000768464883 622458321 /nfs/dbraw/zinc/45/83/21/622458321.db2.gz BYYIQSBONMXTDO-AEFFLSMTSA-N 1 0 307.434 3.345 20 10 DGCDRO COCC[N@H+](CCc1ccccc1)Cc1c(O)cccc1OC ZINC000768584577 622465500 /nfs/dbraw/zinc/46/55/00/622465500.db2.gz MWRWQBXVYBNZRJ-UHFFFAOYSA-N 1 0 315.413 3.092 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CC1 ZINC000768673107 622470507 /nfs/dbraw/zinc/47/05/07/622470507.db2.gz IJBPZIRPJJOBLO-UHFFFAOYSA-N 1 0 306.425 3.283 20 10 DGCDRO COc1cccc(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1O ZINC000768913687 622484874 /nfs/dbraw/zinc/48/48/74/622484874.db2.gz PGUJOTPLZKHFEI-ZOBUZTSGSA-N 1 0 318.461 3.238 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000768938368 622486460 /nfs/dbraw/zinc/48/64/60/622486460.db2.gz YUHGXPIGOCRARZ-MRXNPFEDSA-N 1 0 308.853 3.496 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC)CCC(=O)OC)cc1F ZINC000768992819 622490692 /nfs/dbraw/zinc/49/06/92/622490692.db2.gz PDAIEIYAARLGKX-UHFFFAOYSA-N 1 0 310.413 3.057 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCc3ccc(OC)cc3C2)c(O)c1 ZINC000769119565 622500127 /nfs/dbraw/zinc/50/01/27/622500127.db2.gz CVUXWNVZABKEER-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC[C@@H]2C2CC2)ccc1N1CCOCC1 ZINC000769329484 622517968 /nfs/dbraw/zinc/51/79/68/622517968.db2.gz LVTROELRDHIAQH-QGZVFWFLSA-N 1 0 304.409 3.037 20 10 DGCDRO CCN(CC)c1ccc(CN2CCOCC23CCC3)cc1F ZINC000769451402 622528610 /nfs/dbraw/zinc/52/86/10/622528610.db2.gz MDGMGWJWMMNXEG-UHFFFAOYSA-N 1 0 306.425 3.427 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)cc1 ZINC000769497851 622534093 /nfs/dbraw/zinc/53/40/93/622534093.db2.gz DFPDLBJDVAANNT-NRFANRHFSA-N 1 0 323.484 3.459 20 10 DGCDRO O=C1CCCCN1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000769508593 622535553 /nfs/dbraw/zinc/53/55/53/622535553.db2.gz SAVZXGOSUNYING-UHFFFAOYSA-N 1 0 322.836 3.023 20 10 DGCDRO CCOc1ccc(C[N@H+](CC)CCc2nccs2)c(O)c1 ZINC000769517650 622537212 /nfs/dbraw/zinc/53/72/12/622537212.db2.gz RFRPTKQPAGLLNI-UHFFFAOYSA-N 1 0 306.431 3.312 20 10 DGCDRO CCOc1ccc(C[N@H+](C)CCc2ncc(C)s2)c(O)c1 ZINC000769525341 622537977 /nfs/dbraw/zinc/53/79/77/622537977.db2.gz UGLNKEGFLSWRSI-UHFFFAOYSA-N 1 0 306.431 3.230 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCSCC(F)(F)F)c1 ZINC000769690334 622549763 /nfs/dbraw/zinc/54/97/63/622549763.db2.gz QDHLIHMYWSSUCE-UHFFFAOYSA-N 1 0 309.353 3.176 20 10 DGCDRO CC(C)OC1CC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000769994762 622587856 /nfs/dbraw/zinc/58/78/56/622587856.db2.gz ITAXIZFNHXYWRB-DMKPSLHHSA-N 1 0 318.461 3.130 20 10 DGCDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cccc(OC)c1O ZINC000770353768 622624076 /nfs/dbraw/zinc/62/40/76/622624076.db2.gz ULPQTLAUAJYDLQ-JKSUJKDBSA-N 1 0 307.434 3.426 20 10 DGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CCO1 ZINC000872024896 622758025 /nfs/dbraw/zinc/75/80/25/622758025.db2.gz FFZZEAJOIQUCON-MRXNPFEDSA-N 1 0 320.502 3.287 20 10 DGCDRO COc1cc(C)cc(CN2CCC(C)([NH+]3CCCC3)CC2)c1O ZINC000872644717 622947015 /nfs/dbraw/zinc/94/70/15/622947015.db2.gz KAQXVYDXNCVNCV-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000773084605 622981038 /nfs/dbraw/zinc/98/10/38/622981038.db2.gz URQGKWXZVDTBLM-HHXXYDBFSA-N 1 0 318.461 3.131 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCc2nnc3ccccn32)cc1C ZINC000873009960 623016560 /nfs/dbraw/zinc/01/65/60/623016560.db2.gz XULCLMWCPIPCSY-UHFFFAOYSA-N 1 0 324.428 3.159 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(OC)nc2)cc1C ZINC000873011209 623016778 /nfs/dbraw/zinc/01/67/78/623016778.db2.gz STQXSVVADKWTQJ-UHFFFAOYSA-N 1 0 300.402 3.477 20 10 DGCDRO CCCC(=O)NC1CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000773729272 623064598 /nfs/dbraw/zinc/06/45/98/623064598.db2.gz HVNZYMJPGODQPR-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000773773463 623071912 /nfs/dbraw/zinc/07/19/12/623071912.db2.gz RVWBUNBKVPKWBH-UHFFFAOYSA-N 1 0 310.441 3.449 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCCCC[C@@H]2C(=O)OC)cc1 ZINC000773834914 623077069 /nfs/dbraw/zinc/07/70/69/623077069.db2.gz VJROVEVRIJTQOH-QGZVFWFLSA-N 1 0 304.434 3.060 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1 ZINC000773838553 623077543 /nfs/dbraw/zinc/07/75/43/623077543.db2.gz ILXYKCCOEXCRCR-SFHVURJKSA-N 1 0 302.462 3.391 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@H](CCO)c2cccs2)cc1 ZINC000773842241 623078612 /nfs/dbraw/zinc/07/86/12/623078612.db2.gz ZBAPMAYNCONOOU-MRXNPFEDSA-N 1 0 304.459 3.418 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)cc1 ZINC000773841920 623078645 /nfs/dbraw/zinc/07/86/45/623078645.db2.gz XVWSYALQKZJQME-GOSISDBHSA-N 1 0 317.477 3.057 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000873235257 623085897 /nfs/dbraw/zinc/08/58/97/623085897.db2.gz MXXLIQPANHCAPB-IUODEOHRSA-N 1 0 320.383 3.281 20 10 DGCDRO CCOCC[N@H+](CC)Cc1cc(Br)cc(C)c1O ZINC000124574826 623182428 /nfs/dbraw/zinc/18/24/28/623182428.db2.gz ZQOSYNFUHBGVFE-UHFFFAOYSA-N 1 0 316.239 3.322 20 10 DGCDRO COc1c([O-])c(C[N@H+](C)[C@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836639 623197258 /nfs/dbraw/zinc/19/72/58/623197258.db2.gz UDDUOTWLWUGDRA-AAEUAGOBSA-N 1 0 308.378 3.320 20 10 DGCDRO CCCN(Cc1cnn(-c2ccccc2)n1)c1ccc(C[NH3+])cc1 ZINC000775141050 623234756 /nfs/dbraw/zinc/23/47/56/623234756.db2.gz VIQSGJUQONXNQP-UHFFFAOYSA-N 1 0 321.428 3.143 20 10 DGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000775375815 623262204 /nfs/dbraw/zinc/26/22/04/623262204.db2.gz WXOIIRREWKKZCS-GOSISDBHSA-N 1 0 305.418 3.079 20 10 DGCDRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775409438 623270650 /nfs/dbraw/zinc/27/06/50/623270650.db2.gz FVPOVYSYQHVMPC-HNNXBMFYSA-N 1 0 317.477 3.050 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1O ZINC000775522679 623283922 /nfs/dbraw/zinc/28/39/22/623283922.db2.gz XNLIHDSFQGZFPA-IRXDYDNUSA-N 1 0 316.445 3.367 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1cc(Cl)ccc1O ZINC000775523889 623284328 /nfs/dbraw/zinc/28/43/28/623284328.db2.gz NSYSIIJJPYAWLF-KGLIPLIRSA-N 1 0 310.825 3.096 20 10 DGCDRO CC[C@H]([NH2+]CCCNC(=O)C(C)C)c1cc(Cl)ccc1O ZINC000775525113 623285017 /nfs/dbraw/zinc/28/50/17/623285017.db2.gz XZSIEGQHCBHMMB-AWEZNQCLSA-N 1 0 312.841 3.249 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC)C1)c1ccccc1O ZINC000775579979 623292740 /nfs/dbraw/zinc/29/27/40/623292740.db2.gz RQHHXCHVSCQGFJ-DZKIICNBSA-N 1 0 320.433 3.300 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000775642346 623300460 /nfs/dbraw/zinc/30/04/60/623300460.db2.gz KRZHONHFPRPDHX-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000775647280 623304114 /nfs/dbraw/zinc/30/41/14/623304114.db2.gz QZFGBZIRZROHJS-IBGZPJMESA-N 1 0 303.494 3.447 20 10 DGCDRO Cc1cccc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000775651119 623304797 /nfs/dbraw/zinc/30/47/97/623304797.db2.gz ZOMHCGJNVRCSDH-UHFFFAOYSA-N 1 0 324.424 3.225 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000775665018 623308564 /nfs/dbraw/zinc/30/85/64/623308564.db2.gz WQIVSJQTNNQVOQ-UHFFFAOYSA-N 1 0 311.809 3.272 20 10 DGCDRO Cc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000775664375 623309115 /nfs/dbraw/zinc/30/91/15/623309115.db2.gz MVVRFGVEGXLTAX-AWEZNQCLSA-N 1 0 320.433 3.142 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1 ZINC000775740562 623323188 /nfs/dbraw/zinc/32/31/88/623323188.db2.gz OBKGHFFBPHAGCQ-YJYMSZOUSA-N 1 0 313.397 3.225 20 10 DGCDRO C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc(F)c3[O-])CC[C@@H]21 ZINC000775742538 623323250 /nfs/dbraw/zinc/32/32/50/623323250.db2.gz UUFGYCYROOJSLP-NHYWBVRUSA-N 1 0 312.816 3.101 20 10 DGCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000775835235 623339262 /nfs/dbraw/zinc/33/92/62/623339262.db2.gz SNKPFOPWBVHJJU-LBPRGKRZSA-N 1 0 316.401 3.291 20 10 DGCDRO CCCCCCNC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775836197 623339649 /nfs/dbraw/zinc/33/96/49/623339649.db2.gz KPFGTSIUNKXXSM-OAHLLOKOSA-N 1 0 305.466 3.100 20 10 DGCDRO CCCCCCNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775836194 623339749 /nfs/dbraw/zinc/33/97/49/623339749.db2.gz KPFGTSIUNKXXSM-HNNXBMFYSA-N 1 0 305.466 3.100 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)CN1C ZINC000775987745 623361615 /nfs/dbraw/zinc/36/16/15/623361615.db2.gz WFESPXFEXNVRAX-IAGOWNOFSA-N 1 0 301.478 3.201 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC000776156608 623384317 /nfs/dbraw/zinc/38/43/17/623384317.db2.gz LUCQJVYAWGSTQX-ZWKOTPCHSA-N 1 0 302.462 3.498 20 10 DGCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2cccs2)cc1OC ZINC000776174927 623390221 /nfs/dbraw/zinc/39/02/21/623390221.db2.gz JQUCHPIUWFXNDL-UHFFFAOYSA-N 1 0 307.415 3.496 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)C12CCCC2 ZINC000776224263 623399102 /nfs/dbraw/zinc/39/91/02/623399102.db2.gz RQRHYIKPLUYCCL-IAGOWNOFSA-N 1 0 305.418 3.228 20 10 DGCDRO CCOc1ccc(CNc2c[nH+]ccc2-n2cc(C)cn2)c(O)c1 ZINC000776253502 623401818 /nfs/dbraw/zinc/40/18/18/623401818.db2.gz XANLVJZNMKANKB-UHFFFAOYSA-N 1 0 324.384 3.292 20 10 DGCDRO CCOc1ccc(C[NH2+]CC2([C@H](C)CCO)CCC2)c(O)c1 ZINC000776257348 623402339 /nfs/dbraw/zinc/40/23/39/623402339.db2.gz LUPZKZMARDHAOL-CQSZACIVSA-N 1 0 307.434 3.069 20 10 DGCDRO C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000776268713 623404057 /nfs/dbraw/zinc/40/40/57/623404057.db2.gz FNUNESBEBHLWES-VGWMRTNUSA-N 1 0 317.477 3.191 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000777012296 623485480 /nfs/dbraw/zinc/48/54/80/623485480.db2.gz PCYBNDGKFMKGFQ-UONOGXRCSA-N 1 0 304.356 3.371 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000777439479 623525166 /nfs/dbraw/zinc/52/51/66/623525166.db2.gz HWBGBXCJYSTFNR-QGZVFWFLSA-N 1 0 305.418 3.182 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccnn2-c2ccccc2)cc1 ZINC000790466856 625656538 /nfs/dbraw/zinc/65/65/38/625656538.db2.gz UDCLBFFCYPGLBZ-UHFFFAOYSA-N 1 0 306.413 3.228 20 10 DGCDRO CCOc1ccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000778212931 623625657 /nfs/dbraw/zinc/62/56/57/623625657.db2.gz HATRDQCUIHDHAX-LJQANCHMSA-N 1 0 315.413 3.178 20 10 DGCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000876728604 623690872 /nfs/dbraw/zinc/69/08/72/623690872.db2.gz QNSYPAYGQCINTF-ZDUSSCGKSA-N 1 0 308.422 3.046 20 10 DGCDRO Cc1cccc(O)c1C[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000876755174 623697764 /nfs/dbraw/zinc/69/77/64/623697764.db2.gz SIIFJKCCUUNEAO-UHFFFAOYSA-N 1 0 308.422 3.047 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cc[nH]n2)c1O ZINC000779025698 623723028 /nfs/dbraw/zinc/72/30/28/623723028.db2.gz YUCRZGMXNJFURJ-SECBINFHSA-N 1 0 310.195 3.037 20 10 DGCDRO CC(C)([NH2+]Cc1cc(F)ccc1O)C(=O)Nc1ccccc1 ZINC000779078038 623727291 /nfs/dbraw/zinc/72/72/91/623727291.db2.gz NEPFDHHJBRHFTH-UHFFFAOYSA-N 1 0 302.349 3.038 20 10 DGCDRO C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cc(F)ccc1O ZINC000779081825 623728161 /nfs/dbraw/zinc/72/81/61/623728161.db2.gz DFIXNBBKECMBMD-LBPRGKRZSA-N 1 0 314.360 3.353 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c(O)c1 ZINC000876939761 623750422 /nfs/dbraw/zinc/75/04/22/623750422.db2.gz KOPRUPGTIZOQKS-CYBMUJFWSA-N 1 0 310.397 3.436 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CC1(F)F ZINC000876944059 623750972 /nfs/dbraw/zinc/75/09/72/623750972.db2.gz XFZXZGBIYLHQAB-IUODEOHRSA-N 1 0 312.429 3.373 20 10 DGCDRO CC[C@](C)(C[NH2+]Cc1ccc(N2CCSCC2)cc1)OC ZINC000876944079 623751031 /nfs/dbraw/zinc/75/10/31/623751031.db2.gz XRKSZHJNIBMESK-QGZVFWFLSA-N 1 0 308.491 3.145 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c(O)c1 ZINC000876948021 623752354 /nfs/dbraw/zinc/75/23/54/623752354.db2.gz CWWCLGKPNZOJEV-KRWDZBQOSA-N 1 0 302.393 3.232 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)C1(C(=O)OC)CCC1 ZINC000779348020 623761826 /nfs/dbraw/zinc/76/18/26/623761826.db2.gz ORESHSGZLCQXGF-QGZVFWFLSA-N 1 0 318.461 3.273 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000779432632 623770643 /nfs/dbraw/zinc/77/06/43/623770643.db2.gz XXRQHRLMGXKJBB-RDTXWAMCSA-N 1 0 322.424 3.103 20 10 DGCDRO CC[N@H+](CCC(C)(C)C(=O)OC)Cc1ccc(N(C)C)cc1 ZINC000779519512 623776868 /nfs/dbraw/zinc/77/68/68/623776868.db2.gz MJKQKKHDXTVQGH-UHFFFAOYSA-N 1 0 306.450 3.164 20 10 DGCDRO Cc1ccc(C[NH2+]CCc2csc(N3CCCC3)n2)c(O)c1 ZINC000877056441 623777917 /nfs/dbraw/zinc/77/79/17/623777917.db2.gz LPPMMWDQPTVICP-UHFFFAOYSA-N 1 0 317.458 3.090 20 10 DGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000779597960 623780353 /nfs/dbraw/zinc/78/03/53/623780353.db2.gz IBTADRNCHNYGPW-UHFFFAOYSA-N 1 0 324.424 3.098 20 10 DGCDRO CCC(CC)(CC)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000126357870 623794131 /nfs/dbraw/zinc/79/41/31/623794131.db2.gz QRGCCWGPAPHTMN-UHFFFAOYSA-N 1 0 319.493 3.269 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c(O)c1 ZINC000877117313 623795252 /nfs/dbraw/zinc/79/52/52/623795252.db2.gz SYGAVDSXCIOHPA-HNNXBMFYSA-N 1 0 307.459 3.235 20 10 DGCDRO Cc1cc(C)c(NC(=O)C[NH2+]Cc2c(C)cccc2O)c(C)c1 ZINC000877142568 623804865 /nfs/dbraw/zinc/80/48/65/623804865.db2.gz SRCVDDJGOFWREN-UHFFFAOYSA-N 1 0 312.413 3.354 20 10 DGCDRO Cc1ccc(C[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)c(O)c1 ZINC000877142756 623805409 /nfs/dbraw/zinc/80/54/09/623805409.db2.gz VPDSJDNGGOKQIT-UHFFFAOYSA-N 1 0 312.413 3.354 20 10 DGCDRO CCCN(Cc1cc2c(cc[nH]c2=O)o1)c1ccc(C[NH3+])cc1 ZINC000877478621 623901795 /nfs/dbraw/zinc/90/17/95/623901795.db2.gz OWICDQNXTOZKPF-UHFFFAOYSA-N 1 0 311.385 3.409 20 10 DGCDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877501197 623914296 /nfs/dbraw/zinc/91/42/96/623914296.db2.gz MPZGSZZWERLCGF-WBVHZDCISA-N 1 0 302.462 3.174 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c(O)c1 ZINC000877503726 623914910 /nfs/dbraw/zinc/91/49/10/623914910.db2.gz UXULJZTWWRQWMJ-HXUWFJFHSA-N 1 0 311.425 3.227 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c(O)c1 ZINC000877503725 623915314 /nfs/dbraw/zinc/91/53/14/623915314.db2.gz UXULJZTWWRQWMJ-FQEVSTJZSA-N 1 0 311.425 3.227 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000877525451 623924803 /nfs/dbraw/zinc/92/48/03/623924803.db2.gz DBFCYMKVZZJZHR-ZDUSSCGKSA-N 1 0 310.397 3.436 20 10 DGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531445 623927288 /nfs/dbraw/zinc/92/72/88/623927288.db2.gz MXCZQNMJGQPGOF-DOTOQJQBSA-N 1 0 302.462 3.411 20 10 DGCDRO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(O)c1 ZINC000877561099 623941187 /nfs/dbraw/zinc/94/11/87/623941187.db2.gz HQHNCZYQKWJLJO-MJGOQNOKSA-N 1 0 315.388 3.001 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C34CCC(CC3)CC4)cc2)CC1 ZINC000877568610 623946131 /nfs/dbraw/zinc/94/61/31/623946131.db2.gz SQZBPOISUHHGKK-UHFFFAOYSA-N 1 0 314.473 3.460 20 10 DGCDRO CC1(C2([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)CC2)CC1 ZINC000877571987 623947406 /nfs/dbraw/zinc/94/74/06/623947406.db2.gz LZLMESSZCMZWLI-UHFFFAOYSA-N 1 0 300.446 3.070 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c(O)c1 ZINC000877582946 623951603 /nfs/dbraw/zinc/95/16/03/623951603.db2.gz ISONSACNCLYXGQ-GOEBONIOSA-N 1 0 319.426 3.125 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000780574520 623954364 /nfs/dbraw/zinc/95/43/64/623954364.db2.gz NFKYPWIRSZVTDX-AWEZNQCLSA-N 1 0 303.333 3.153 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000877598082 623957262 /nfs/dbraw/zinc/95/72/62/623957262.db2.gz HQJSHDPQQZAAIG-NXOAAHMSSA-N 1 0 300.446 3.157 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(O)c1 ZINC000877600315 623957749 /nfs/dbraw/zinc/95/77/49/623957749.db2.gz MGKITUMNZSNUKT-SFHVURJKSA-N 1 0 301.430 3.482 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000877620226 623965312 /nfs/dbraw/zinc/96/53/12/623965312.db2.gz GOADLDBYUBQZPS-LPHOPBHVSA-N 1 0 300.446 3.022 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]CCC(C)(C)SC)C2)cc1 ZINC000877621487 623966001 /nfs/dbraw/zinc/96/60/01/623966001.db2.gz XTSRFKZVMQVGCK-CQSZACIVSA-N 1 0 308.491 3.395 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@H]3CC3(Cl)Cl)C2)cc1 ZINC000877621389 623966141 /nfs/dbraw/zinc/96/61/41/623966141.db2.gz VUUNGCRTIVCYJU-NEPJUHHUSA-N 1 0 315.244 3.057 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H]3CCCOC3)CC2)cc1 ZINC000780726147 623973128 /nfs/dbraw/zinc/97/31/28/623973128.db2.gz XDWHOAOAQYPEMZ-HZPDHXFCSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@H]3CCCOC3)CC2)cc1 ZINC000780726145 623973492 /nfs/dbraw/zinc/97/34/92/623973492.db2.gz XDWHOAOAQYPEMZ-HOTGVXAUSA-N 1 0 318.461 3.069 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CC1(C)C ZINC000877643127 623975420 /nfs/dbraw/zinc/97/54/20/623975420.db2.gz ADRUNLPGENJQON-MRXNPFEDSA-N 1 0 302.462 3.126 20 10 DGCDRO COc1cccc([C@H](C[NH2+]Cc2ccc(C)cc2O)OC)c1 ZINC000877647927 623977884 /nfs/dbraw/zinc/97/78/84/623977884.db2.gz JOKYUIOSSDNSEK-SFHVURJKSA-N 1 0 301.386 3.187 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2c(C)nn(CC)c2C)c1O ZINC000877664019 623983157 /nfs/dbraw/zinc/98/31/57/623983157.db2.gz KFNPERNBPPXGQF-UHFFFAOYSA-N 1 0 317.433 3.256 20 10 DGCDRO Cc1cccc(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c1O ZINC000877666858 623983689 /nfs/dbraw/zinc/98/36/89/623983689.db2.gz CEPZUBGOPWVTPF-UHFFFAOYSA-N 1 0 313.397 3.210 20 10 DGCDRO CCOc1cccc(CN2CCC(C)([NH+]3CCCC3)CC2)c1O ZINC000877673236 623987255 /nfs/dbraw/zinc/98/72/55/623987255.db2.gz CTABARXPRQQTBG-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877674908 623987768 /nfs/dbraw/zinc/98/77/68/623987768.db2.gz WSABHBQKQNHTOD-VQTJNVASSA-N 1 0 310.441 3.451 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](C)c2cnc(C)s2)cc1OC ZINC000877684844 623991571 /nfs/dbraw/zinc/99/15/71/623991571.db2.gz AKRVMVRNCBGBNW-SECBINFHSA-N 1 0 308.403 3.025 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1O ZINC000790737615 625691247 /nfs/dbraw/zinc/69/12/47/625691247.db2.gz NTIHRCKCZCIVIQ-GXTWGEPZSA-N 1 0 321.367 3.172 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCSCCC(F)(F)F)c1 ZINC000877730631 624006628 /nfs/dbraw/zinc/00/66/28/624006628.db2.gz ASERNMDCNFDPDD-UHFFFAOYSA-N 1 0 309.353 3.176 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877731447 624007686 /nfs/dbraw/zinc/00/76/86/624007686.db2.gz XIJIIVUQLLQYHP-OTVXOJSOSA-N 1 0 320.433 3.094 20 10 DGCDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000877741272 624013234 /nfs/dbraw/zinc/01/32/34/624013234.db2.gz AEMUXDSNVKWFNY-UYAOXDASSA-N 1 0 313.489 3.203 20 10 DGCDRO CC(C)[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000877750731 624018400 /nfs/dbraw/zinc/01/84/00/624018400.db2.gz KQNZZRICSSPWEN-OVKVCFKUSA-N 1 0 301.478 3.038 20 10 DGCDRO COc1ccccc1[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000877754830 624020607 /nfs/dbraw/zinc/02/06/07/624020607.db2.gz UTFXOLRTWGCXLU-IBGZPJMESA-N 1 0 313.397 3.283 20 10 DGCDRO CCOC(=O)N1CCC(C)(C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000877756038 624021993 /nfs/dbraw/zinc/02/19/93/624021993.db2.gz ZXHFJMDDMCTEKP-CQSZACIVSA-N 1 0 320.433 3.301 20 10 DGCDRO C[C@@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)c1ccccc1O ZINC000877755996 624022156 /nfs/dbraw/zinc/02/21/56/624022156.db2.gz XNMUKNUXYOQBIZ-LLVKDONJSA-N 1 0 314.414 3.100 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1O ZINC000877755543 624022258 /nfs/dbraw/zinc/02/22/58/624022258.db2.gz DPIPZUCPRRTANS-PBHICJAKSA-N 1 0 313.397 3.411 20 10 DGCDRO COc1cccc(O)c1CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877795394 624036365 /nfs/dbraw/zinc/03/63/65/624036365.db2.gz JKQWGIKGBNPTHV-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000781907425 624169142 /nfs/dbraw/zinc/16/91/42/624169142.db2.gz HYFUXQBGGWAOJH-NSHDSACASA-N 1 0 314.223 3.074 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878150867 624190540 /nfs/dbraw/zinc/19/05/40/624190540.db2.gz JVGREQSORZXKRD-KRWDZBQOSA-N 1 0 319.445 3.332 20 10 DGCDRO CC(C)[C@H](O)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000878241345 624225016 /nfs/dbraw/zinc/22/50/16/624225016.db2.gz SJOCPLQGBPZQIT-QGZVFWFLSA-N 1 0 303.402 3.394 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)cc1F ZINC000782534812 624261112 /nfs/dbraw/zinc/26/11/12/624261112.db2.gz IIIGOEKTBLMDFY-GOSISDBHSA-N 1 0 308.441 3.313 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2(N(C)C)CCC2)cc1F ZINC000782536754 624261901 /nfs/dbraw/zinc/26/19/01/624261901.db2.gz WBQOKAYXDWXNIC-UHFFFAOYSA-N 1 0 307.457 3.246 20 10 DGCDRO C[C@H]([NH2+]CC(=O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000878454865 624282440 /nfs/dbraw/zinc/28/24/40/624282440.db2.gz JTGJSBCBYAYCHR-ZDUSSCGKSA-N 1 0 300.377 3.425 20 10 DGCDRO CC[NH+](CC)CCCC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000782877739 624287106 /nfs/dbraw/zinc/28/71/06/624287106.db2.gz GSXXBKSRRXRXGC-UHFFFAOYSA-N 1 0 324.490 3.428 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1cc(Br)ccc1O ZINC000783308448 624337477 /nfs/dbraw/zinc/33/74/77/624337477.db2.gz DXDABDVOBMRCAY-CMPLNLGQSA-N 1 0 312.207 3.498 20 10 DGCDRO CCOC(=O)C1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000127310168 624349409 /nfs/dbraw/zinc/34/94/09/624349409.db2.gz WOYGQPZAGSMRBT-UHFFFAOYSA-N 1 0 311.809 3.257 20 10 DGCDRO COCCOc1ccccc1C[NH2+][C@H](C)c1ccccc1O ZINC000783503460 624359270 /nfs/dbraw/zinc/35/92/70/624359270.db2.gz DRTFGQIOHUSEOP-CQSZACIVSA-N 1 0 301.386 3.268 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccccc1O ZINC000783498864 624359290 /nfs/dbraw/zinc/35/92/90/624359290.db2.gz JKZZBTYWEIWJLV-OAHLLOKOSA-N 1 0 307.397 3.488 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000879647892 624621013 /nfs/dbraw/zinc/62/10/13/624621013.db2.gz PITCEMCBUKOSQC-KNCOVGOOSA-N 1 0 304.434 3.126 20 10 DGCDRO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879647703 624621189 /nfs/dbraw/zinc/62/11/89/624621189.db2.gz ITBYCNKAXDQJPK-ILXRZTDVSA-N 1 0 304.434 3.222 20 10 DGCDRO COC(=O)c1oc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1C ZINC000879649153 624622803 /nfs/dbraw/zinc/62/28/03/624622803.db2.gz JRJRIKJVAKZZKV-VXGBXAGGSA-N 1 0 303.358 3.492 20 10 DGCDRO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)c(C)c1 ZINC000879648789 624622953 /nfs/dbraw/zinc/62/29/53/624622953.db2.gz DUUWXICOPVIGRU-CVEARBPZSA-N 1 0 315.413 3.100 20 10 DGCDRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879649224 624623063 /nfs/dbraw/zinc/62/30/63/624623063.db2.gz OHZWCBWDCADBMU-HUUCEWRRSA-N 1 0 312.413 3.056 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CN(C2CCCCC2)C(=O)O1)c1ccccc1O ZINC000879650309 624623177 /nfs/dbraw/zinc/62/31/77/624623177.db2.gz SVNGJWLTQYWAIL-DZGCQCFKSA-N 1 0 318.417 3.196 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O ZINC000785990237 624775226 /nfs/dbraw/zinc/77/52/26/624775226.db2.gz ZXSUXVHEJCUVAE-COPLHBTASA-N 1 0 313.825 3.036 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Cl)cc(C)c2O)c1 ZINC000786579381 624925100 /nfs/dbraw/zinc/92/51/00/624925100.db2.gz RDUDQAHBUKDYNU-QGZVFWFLSA-N 1 0 319.832 3.356 20 10 DGCDRO CC(C)[N@H+](CCOCC(F)F)Cc1ccc(N(C)C)cc1 ZINC000787184783 624986031 /nfs/dbraw/zinc/98/60/31/624986031.db2.gz UXLNSDTWHBJWRF-UHFFFAOYSA-N 1 0 300.393 3.245 20 10 DGCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)[C@@H]1C ZINC000787244145 624991586 /nfs/dbraw/zinc/99/15/86/624991586.db2.gz MNSXTHHSNBPRRV-HIFRSBDPSA-N 1 0 319.445 3.382 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787330869 625001273 /nfs/dbraw/zinc/00/12/73/625001273.db2.gz FKUYJLNTRRHOFW-HNNXBMFYSA-N 1 0 313.731 3.147 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)cc1F ZINC000787420451 625008658 /nfs/dbraw/zinc/00/86/58/625008658.db2.gz HGQURIYVOLZGKA-DZGCQCFKSA-N 1 0 322.424 3.055 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)c(O)c1 ZINC000788507887 625201745 /nfs/dbraw/zinc/20/17/45/625201745.db2.gz SUPYIOADKVMTRN-CVEARBPZSA-N 1 0 315.413 3.100 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)c1O ZINC000788538476 625210564 /nfs/dbraw/zinc/21/05/64/625210564.db2.gz MYRRTXIDIXTQMI-IEBWSBKVSA-N 1 0 315.413 3.249 20 10 DGCDRO CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000788618447 625229423 /nfs/dbraw/zinc/22/94/23/625229423.db2.gz FWVJJAQTEDPKMD-OFQRWUPVSA-N 1 0 313.825 3.280 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1)OCO2 ZINC000026232857 625862718 /nfs/dbraw/zinc/86/27/18/625862718.db2.gz FGIYHVZYALZBST-MRXNPFEDSA-N 1 0 311.381 3.328 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccc4oc(=O)oc4c3)ccc21 ZINC000882943128 625868840 /nfs/dbraw/zinc/86/88/40/625868840.db2.gz GBMZEQMKHDNVKA-UHFFFAOYSA-N 1 0 324.380 3.058 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2cc(OCC)ccc2O)CCCC1 ZINC000792194904 625923521 /nfs/dbraw/zinc/92/35/21/625923521.db2.gz IPMOHVWKUMLYRT-UHFFFAOYSA-N 1 0 321.417 3.004 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000883104454 625929353 /nfs/dbraw/zinc/92/93/53/625929353.db2.gz AEJNQUHRNOWRBP-AWEZNQCLSA-N 1 0 305.324 3.023 20 10 DGCDRO Cc1ccnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000792278362 625932760 /nfs/dbraw/zinc/93/27/60/625932760.db2.gz YPLJTOOCEOWVID-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883122744 625933612 /nfs/dbraw/zinc/93/36/12/625933612.db2.gz YKGHINVSVPVUJI-SFYZADRCSA-N 1 0 322.630 3.321 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]2C)c1O ZINC000796525192 626058698 /nfs/dbraw/zinc/05/86/98/626058698.db2.gz BRZJMUSOTDHQEM-LDYMZIIASA-N 1 0 300.196 3.051 20 10 DGCDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000796526968 626058950 /nfs/dbraw/zinc/05/89/50/626058950.db2.gz UKYDGPCYHUJSCB-ZFWWWQNUSA-N 1 0 303.406 3.473 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000796678102 626072920 /nfs/dbraw/zinc/07/29/20/626072920.db2.gz YFOSYUVRGWQTLZ-GFCCVEGCSA-N 1 0 311.385 3.450 20 10 DGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000796696544 626074235 /nfs/dbraw/zinc/07/42/35/626074235.db2.gz TYMIGOURVOSYIN-RDJZCZTQSA-N 1 0 306.425 3.187 20 10 DGCDRO CC[C@H]([NH2+]CCC1(O)CCOCC1)c1cc(Cl)ccc1O ZINC000797029849 626106143 /nfs/dbraw/zinc/10/61/43/626106143.db2.gz BIZQUMQKASSZOE-AWEZNQCLSA-N 1 0 313.825 3.018 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)c1 ZINC000797057754 626109452 /nfs/dbraw/zinc/10/94/52/626109452.db2.gz BFUPQNOPWCKTKK-NJSLBKSFSA-N 1 0 315.413 3.482 20 10 DGCDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000797090170 626111941 /nfs/dbraw/zinc/11/19/41/626111941.db2.gz JDVSQUDXQDBWFE-AWEZNQCLSA-N 1 0 320.433 3.138 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000798003842 626188764 /nfs/dbraw/zinc/18/87/64/626188764.db2.gz IPZDPGPRTCEJIA-RBUKOAKNSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC000798963652 626263842 /nfs/dbraw/zinc/26/38/42/626263842.db2.gz IIXDGEZXWCZTNT-GFCCVEGCSA-N 1 0 318.804 3.439 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@](C)(O)C(F)(F)F)cc1 ZINC000799106393 626271874 /nfs/dbraw/zinc/27/18/74/626271874.db2.gz FRMLPAJSKUVEOG-OAHLLOKOSA-N 1 0 318.383 3.278 20 10 DGCDRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1c(O)cccc1Cl ZINC000799351026 626294662 /nfs/dbraw/zinc/29/46/62/626294662.db2.gz ZVIQMPQFLZIVHO-AWEZNQCLSA-N 1 0 305.805 3.129 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1F ZINC000800238380 626343864 /nfs/dbraw/zinc/34/38/64/626343864.db2.gz DBMYMYREYCYLBE-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO Cc1cccc(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)c1O ZINC000800545147 626367272 /nfs/dbraw/zinc/36/72/72/626367272.db2.gz WZNYAIHVAQKTSB-VAWYXSNFSA-N 1 0 324.424 3.010 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2F)CC1 ZINC000800967838 626387001 /nfs/dbraw/zinc/38/70/01/626387001.db2.gz ASUWBRVGJKRXTE-YXJHDRRASA-N 1 0 318.436 3.065 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)C[NH+]1CCC(C)CC1 ZINC000801548128 626409281 /nfs/dbraw/zinc/40/92/81/626409281.db2.gz NZSLYFZLJCHTCF-UHFFFAOYSA-N 1 0 318.461 3.253 20 10 DGCDRO CCCC[N@H+](CC(=O)N1CCC(C)CC1)Cc1ccccc1O ZINC000801596066 626411303 /nfs/dbraw/zinc/41/13/03/626411303.db2.gz NQHPEAXUKCEQIE-UHFFFAOYSA-N 1 0 318.461 3.253 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)CC1(CC(=O)OC)CC1 ZINC000801595593 626411396 /nfs/dbraw/zinc/41/13/96/626411396.db2.gz OZWTZFMRYPFPQC-UHFFFAOYSA-N 1 0 305.418 3.338 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(C)(C)C ZINC000801599238 626411749 /nfs/dbraw/zinc/41/17/49/626411749.db2.gz GPQQOWIUVPNLKG-CQSZACIVSA-N 1 0 306.450 3.298 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCCN(C(C)C)C1=O ZINC000801599502 626411941 /nfs/dbraw/zinc/41/19/41/626411941.db2.gz QNGLFWQLDNOWJP-QGZVFWFLSA-N 1 0 318.461 3.394 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000801732836 626416496 /nfs/dbraw/zinc/41/64/96/626416496.db2.gz YTOIESKLKOLEHW-ZIAGYGMSSA-N 1 0 307.434 3.474 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(C)cc1O ZINC000883275968 626633179 /nfs/dbraw/zinc/63/31/79/626633179.db2.gz DFTRZMVMVAGEEB-DOTOQJQBSA-N 1 0 303.402 3.186 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)c(O)c1C ZINC000883276456 626633987 /nfs/dbraw/zinc/63/39/87/626633987.db2.gz LGZPHZUKCIHUAE-GOEBONIOSA-N 1 0 303.402 3.104 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1C ZINC000131602212 626658203 /nfs/dbraw/zinc/65/82/03/626658203.db2.gz MCYBOVZYRYAIQM-QGZVFWFLSA-N 1 0 316.445 3.032 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1c3ccccc3CC[C@@H]1F)OCO2 ZINC000883383214 626667902 /nfs/dbraw/zinc/66/79/02/626667902.db2.gz VOQWRYGWIPGPJG-KSSFIOAISA-N 1 0 315.344 3.236 20 10 DGCDRO c1cn(C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2)cn1 ZINC000883398257 626673010 /nfs/dbraw/zinc/67/30/10/626673010.db2.gz HZNWTFICDXOJCU-IBGZPJMESA-N 1 0 319.408 3.349 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cc1 ZINC000132014681 626693824 /nfs/dbraw/zinc/69/38/24/626693824.db2.gz GPCXQAFOTYANPT-OXJNMPFZSA-N 1 0 312.457 3.397 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)c2c1c(F)ccc2O ZINC000806167704 626703617 /nfs/dbraw/zinc/70/36/17/626703617.db2.gz GFLUYATTWWXVJS-DUVNUKRYSA-N 1 0 315.388 3.273 20 10 DGCDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000806169796 626704326 /nfs/dbraw/zinc/70/43/26/626704326.db2.gz RDXQIXHPSAMCQN-GHMZBOCLSA-N 1 0 316.239 3.070 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@@]3(CCCO3)[C@H]1C1CC1)CCCC2 ZINC000840100474 626759782 /nfs/dbraw/zinc/75/97/82/626759782.db2.gz YSUJLUOIPGPDFD-UXHICEINSA-N 1 0 313.441 3.414 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)c(C)c1OC ZINC000808376003 626818629 /nfs/dbraw/zinc/81/86/29/626818629.db2.gz OBRMBDZCZWMAIE-UHFFFAOYSA-N 1 0 314.429 3.368 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(C)c1OC ZINC000808384998 626819303 /nfs/dbraw/zinc/81/93/03/626819303.db2.gz HPAJHBGOVWVEEJ-UHFFFAOYSA-N 1 0 313.397 3.237 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)cc1C ZINC000808452294 626826170 /nfs/dbraw/zinc/82/61/70/626826170.db2.gz FDNCZNRSIXJGPU-MRXNPFEDSA-N 1 0 301.361 3.236 20 10 DGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808682497 626849358 /nfs/dbraw/zinc/84/93/58/626849358.db2.gz RVYZWQWAJPTMNH-VXGBXAGGSA-N 1 0 312.841 3.309 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCCCC2=O)c1O ZINC000808692996 626850054 /nfs/dbraw/zinc/85/00/54/626850054.db2.gz BWXJBPFOGYMUKJ-CYBMUJFWSA-N 1 0 324.852 3.407 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1O ZINC000808695050 626850347 /nfs/dbraw/zinc/85/03/47/626850347.db2.gz DTJVQXRVVWZUDU-OCCSQVGLSA-N 1 0 313.825 3.200 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CO[C@H]2CCOC2)c1O ZINC000808702513 626850947 /nfs/dbraw/zinc/85/09/47/626850947.db2.gz YAOCAYZNDPDZHY-DYEKYZERSA-N 1 0 313.825 3.199 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)Cc2ccco2)c1O ZINC000808703783 626851086 /nfs/dbraw/zinc/85/10/86/626851086.db2.gz WFVHLNLOEZTETC-QWHCGFSZSA-N 1 0 323.820 3.449 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)c1O ZINC000808702514 626851106 /nfs/dbraw/zinc/85/11/06/626851106.db2.gz YAOCAYZNDPDZHY-MBNYWOFBSA-N 1 0 313.825 3.199 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c1O ZINC000808707576 626851499 /nfs/dbraw/zinc/85/14/99/626851499.db2.gz SMDFLTISALHWKH-RISCZKNCSA-N 1 0 310.825 3.014 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCNC(=O)C2CCC2)c1O ZINC000808706240 626851635 /nfs/dbraw/zinc/85/16/35/626851635.db2.gz FMSKZDBOPSZMAD-GFCCVEGCSA-N 1 0 324.852 3.311 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c1O ZINC000808707574 626852011 /nfs/dbraw/zinc/85/20/11/626852011.db2.gz SMDFLTISALHWKH-BXUZGUMPSA-N 1 0 310.825 3.014 20 10 DGCDRO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1O ZINC000808728060 626854565 /nfs/dbraw/zinc/85/45/65/626854565.db2.gz MMBXTNQVGZSORP-HZMBPMFUSA-N 1 0 305.324 3.325 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000808729254 626854880 /nfs/dbraw/zinc/85/48/80/626854880.db2.gz WIHVYWIQZLXETN-IUODEOHRSA-N 1 0 301.361 3.494 20 10 DGCDRO CCC[N@H+](Cc1cnnn1-c1ccccc1)Cc1ccccc1O ZINC000808731964 626856242 /nfs/dbraw/zinc/85/62/42/626856242.db2.gz DWFTXSDRAPEKSG-UHFFFAOYSA-N 1 0 322.412 3.385 20 10 DGCDRO CC(C)(C)[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000808735836 626856273 /nfs/dbraw/zinc/85/62/73/626856273.db2.gz CDXKOIYNOOCWPW-QGZVFWFLSA-N 1 0 303.402 3.394 20 10 DGCDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840151507 626871921 /nfs/dbraw/zinc/87/19/21/626871921.db2.gz GTKWPPDHYSMNMM-INIZCTEOSA-N 1 0 320.477 3.310 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1 ZINC000840152782 626872455 /nfs/dbraw/zinc/87/24/55/626872455.db2.gz JDDXVKYSIVXJOE-CABCVRRESA-N 1 0 319.445 3.252 20 10 DGCDRO COc1cc(C)cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c1O ZINC000840156146 626878433 /nfs/dbraw/zinc/87/84/33/626878433.db2.gz CCCBJLCBONIYCR-UHFFFAOYSA-N 1 0 317.433 3.101 20 10 DGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)o1 ZINC000809742893 626945058 /nfs/dbraw/zinc/94/50/58/626945058.db2.gz HLBGTXDBSPYALN-UHFFFAOYSA-N 1 0 323.776 3.414 20 10 DGCDRO C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767723 626949893 /nfs/dbraw/zinc/94/98/93/626949893.db2.gz SBDLNVKUHMTCTE-IAQYHMDHSA-N 1 0 312.816 3.101 20 10 DGCDRO C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767724 626950312 /nfs/dbraw/zinc/95/03/12/626950312.db2.gz SBDLNVKUHMTCTE-NHYWBVRUSA-N 1 0 312.816 3.101 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccccc1N(C)C ZINC000809787446 626953179 /nfs/dbraw/zinc/95/31/79/626953179.db2.gz CUFKBKLJQCHZIG-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC[C@H](C3CC3)C2)ccc1N1CCOCC1 ZINC000809786871 626953374 /nfs/dbraw/zinc/95/33/74/626953374.db2.gz NODPNTFHXFQYCG-KRWDZBQOSA-N 1 0 318.436 3.284 20 10 DGCDRO Cc1cn[nH]c1C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC000810125170 626977815 /nfs/dbraw/zinc/97/78/15/626977815.db2.gz ATKOTMKQORZTJZ-UHFFFAOYSA-N 1 0 308.429 3.458 20 10 DGCDRO CCCC[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000810124948 626978078 /nfs/dbraw/zinc/97/80/78/626978078.db2.gz LHCXKPSVHIBLBY-MRXNPFEDSA-N 1 0 319.493 3.222 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1C ZINC000810165431 626982908 /nfs/dbraw/zinc/98/29/08/626982908.db2.gz RYGBXNXYHQYKGH-AZUAARDMSA-N 1 0 311.425 3.265 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1C ZINC000810165432 626983141 /nfs/dbraw/zinc/98/31/41/626983141.db2.gz RYGBXNXYHQYKGH-ICSRJNTNSA-N 1 0 311.425 3.265 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2COc3c(C)cccc3C2)c1 ZINC000810177681 626984556 /nfs/dbraw/zinc/98/45/56/626984556.db2.gz BZOLLFRAMCBASJ-MRXNPFEDSA-N 1 0 313.397 3.193 20 10 DGCDRO CCOc1ccc(C[NH2+]CC2(COC)CCCCC2)c(O)c1 ZINC000810178647 626985125 /nfs/dbraw/zinc/98/51/25/626985125.db2.gz WXEGCNKFXYQDOM-UHFFFAOYSA-N 1 0 307.434 3.477 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810213166 626988817 /nfs/dbraw/zinc/98/88/17/626988817.db2.gz NQUUNVPOIGNUQB-GXFFZTMASA-N 1 0 303.324 3.488 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](C)CCO)c1ccc(C(F)(F)F)cc1O ZINC000810220907 626989504 /nfs/dbraw/zinc/98/95/04/626989504.db2.gz GTBKOPDSTQEWLE-MFKMUULPSA-N 1 0 305.340 3.470 20 10 DGCDRO CC[C@@H]([NH2+]CC(C)(C)CO)c1ccc(C(F)(F)F)cc1O ZINC000810228039 626990350 /nfs/dbraw/zinc/99/03/50/626990350.db2.gz PVIXYPPFPJBYCS-GFCCVEGCSA-N 1 0 305.340 3.470 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ncccc2N(C)C)c2c1c(F)ccc2O ZINC000810248896 626992717 /nfs/dbraw/zinc/99/27/17/626992717.db2.gz IIBLLMRYDCJUGO-DGCLKSJQSA-N 1 0 315.392 3.330 20 10 DGCDRO Nc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000217313681 627053466 /nfs/dbraw/zinc/05/34/66/627053466.db2.gz WOFKHOLAKZNSPX-UHFFFAOYSA-N 1 0 324.428 3.055 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1C[C@]12CCOC2 ZINC000886064741 627097570 /nfs/dbraw/zinc/09/75/70/627097570.db2.gz HPNJGSGKZZPCKE-APWZRJJASA-N 1 0 313.397 3.414 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000217630984 627099335 /nfs/dbraw/zinc/09/93/35/627099335.db2.gz LEKFWOWVEDHVOR-UHFFFAOYSA-N 1 0 320.433 3.062 20 10 DGCDRO CCOc1cccc(C[NH2+]CCc2cc(F)ccc2OC)c1O ZINC000886312278 627135253 /nfs/dbraw/zinc/13/52/53/627135253.db2.gz ZCUBYRKSVJLVRM-UHFFFAOYSA-N 1 0 319.376 3.271 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc1C ZINC000886340933 627140262 /nfs/dbraw/zinc/14/02/62/627140262.db2.gz NHNKGEKVRGSDAW-JHDROBOHSA-N 1 0 319.445 3.066 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnn(C)c1 ZINC000886519460 627156281 /nfs/dbraw/zinc/15/62/81/627156281.db2.gz VPNDECWXDGAINC-IBGZPJMESA-N 1 0 312.461 3.289 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000886669605 627185201 /nfs/dbraw/zinc/18/52/01/627185201.db2.gz BBOOXUVWNSAPSZ-YDHLFZDLSA-N 1 0 313.825 3.016 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2F)c(O)c1 ZINC000886674618 627187016 /nfs/dbraw/zinc/18/70/16/627187016.db2.gz OKXRJQHQDLCKAI-GOEBONIOSA-N 1 0 317.404 3.402 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)Cc2ccc(F)cc2)c(O)c1 ZINC000886677111 627188071 /nfs/dbraw/zinc/18/80/71/627188071.db2.gz RIJQBJRTSMLKFD-WMLDXEAASA-N 1 0 317.404 3.402 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2cc(F)ccc2OC)c1O ZINC000886723525 627197768 /nfs/dbraw/zinc/19/77/68/627197768.db2.gz BUBSKEQGFCNJAL-GFCCVEGCSA-N 1 0 319.376 3.442 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1O ZINC000886732774 627198153 /nfs/dbraw/zinc/19/81/53/627198153.db2.gz QQEXUVJWOCFFET-KBPBESRZSA-N 1 0 305.418 3.401 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c(O)c1 ZINC000886766786 627202196 /nfs/dbraw/zinc/20/21/96/627202196.db2.gz RLZFJKKTACCNTR-DRMAHVMPSA-N 1 0 319.445 3.386 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1 ZINC000886771036 627202895 /nfs/dbraw/zinc/20/28/95/627202895.db2.gz BPTYPNGDXYYMJA-NTODXPRQSA-N 1 0 319.445 3.324 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](COC)[C@@H]2CCCOC2)cc1 ZINC000886786333 627204113 /nfs/dbraw/zinc/20/41/13/627204113.db2.gz AQIOLQJFEQXLBE-WDYCEAGBSA-N 1 0 320.477 3.235 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC000811510347 627285036 /nfs/dbraw/zinc/28/50/36/627285036.db2.gz CWLZGXJRXRSPDZ-IRXDYDNUSA-N 1 0 305.418 3.180 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000811513390 627286398 /nfs/dbraw/zinc/28/63/98/627286398.db2.gz VHMVBAIUHKXYTK-SFHVURJKSA-N 1 0 308.425 3.338 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(C)(C3CC3)CC2)cc1OC ZINC000811514581 627286421 /nfs/dbraw/zinc/28/64/21/627286421.db2.gz NOGKWVPKKOGCIO-UHFFFAOYSA-N 1 0 305.418 3.422 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC000811521051 627287298 /nfs/dbraw/zinc/28/72/98/627287298.db2.gz XVUCZSFUEDXTAP-CQSZACIVSA-N 1 0 321.808 3.088 20 10 DGCDRO COc1ccc(O)c(CNc2cc(C)[nH+]c3ccc(F)cc23)c1 ZINC000811806316 627323218 /nfs/dbraw/zinc/32/32/18/627323218.db2.gz QSMVJIZYHAEJJF-UHFFFAOYSA-N 1 0 312.344 3.431 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1F ZINC000812780380 627419559 /nfs/dbraw/zinc/41/95/59/627419559.db2.gz CDBDXFZPBTXBFA-MRXNPFEDSA-N 1 0 316.424 3.315 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000812780803 627419748 /nfs/dbraw/zinc/41/97/48/627419748.db2.gz SWXFGGVUDOEXEQ-CQSZACIVSA-N 1 0 316.367 3.382 20 10 DGCDRO C[C@@H]([NH2+]C1COCCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000813878712 627518170 /nfs/dbraw/zinc/51/81/70/627518170.db2.gz FPJIIGZPBNYKKI-MRXNPFEDSA-N 1 0 318.461 3.133 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)c(O)c1 ZINC000813882057 627518650 /nfs/dbraw/zinc/51/86/50/627518650.db2.gz ZKJGCWBRKWJSFW-AWEZNQCLSA-N 1 0 322.408 3.403 20 10 DGCDRO COCC(C)(C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000813882520 627518738 /nfs/dbraw/zinc/51/87/38/627518738.db2.gz AKQNZJRVQUZLTD-SNVBAGLBSA-N 1 0 316.239 3.478 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000814138674 627544379 /nfs/dbraw/zinc/54/43/79/627544379.db2.gz ZOAJLVABPDGQCJ-GFCCVEGCSA-N 1 0 319.474 3.083 20 10 DGCDRO Fc1cc(C[NH+]2CCC(C3CC3)CC2)ccc1N1CCOCC1 ZINC000814172229 627546750 /nfs/dbraw/zinc/54/67/50/627546750.db2.gz DEVUKWPVPGJDIL-UHFFFAOYSA-N 1 0 318.436 3.284 20 10 DGCDRO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)ccc1N(C)C ZINC000815052823 627619613 /nfs/dbraw/zinc/61/96/13/627619613.db2.gz CFQQJZYMMLPDJG-KRWDZBQOSA-N 1 0 312.457 3.444 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1N(C)C ZINC000815074237 627623007 /nfs/dbraw/zinc/62/30/07/627623007.db2.gz MVFNTLLAMBDPJY-ROUUACIJSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)ccc1N(C)C ZINC000815075940 627623022 /nfs/dbraw/zinc/62/30/22/627623022.db2.gz OSOKOACADGSSGF-GOSISDBHSA-N 1 0 302.462 3.310 20 10 DGCDRO CCN(C)c1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000815117415 627628810 /nfs/dbraw/zinc/62/88/10/627628810.db2.gz MDEIFLGRGXIFKK-LPHOPBHVSA-N 1 0 301.478 3.201 20 10 DGCDRO CCN(C)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000815118168 627630308 /nfs/dbraw/zinc/63/03/08/627630308.db2.gz LALUBYPZQTYZKZ-VQIMIIECSA-N 1 0 301.478 3.201 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCC3(OC)CCC3)CC2)cc1 ZINC000815146605 627637177 /nfs/dbraw/zinc/63/71/77/627637177.db2.gz SVBVLCIXRJPZTH-UHFFFAOYSA-N 1 0 318.461 3.213 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1(Cl)CC1 ZINC000924759428 627677390 /nfs/dbraw/zinc/67/73/90/627677390.db2.gz IZKZTUVQIRDZDR-CQSZACIVSA-N 1 0 322.880 3.145 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c(O)c1 ZINC000815553439 627684261 /nfs/dbraw/zinc/68/42/61/627684261.db2.gz AGFMEICIYFTGCC-DLBZAZTESA-N 1 0 320.477 3.016 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c(O)c1 ZINC000815557748 627684829 /nfs/dbraw/zinc/68/48/29/627684829.db2.gz CQPSNYUEYSNGSM-XJKSGUPXSA-N 1 0 311.429 3.316 20 10 DGCDRO CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815560718 627685140 /nfs/dbraw/zinc/68/51/40/627685140.db2.gz NYFNUEYFTAZFIK-VXGBXAGGSA-N 1 0 316.367 3.403 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)Nc2ccccn2)c(O)c1 ZINC000815569505 627685494 /nfs/dbraw/zinc/68/54/94/627685494.db2.gz WTHDNOZCQLFYBT-AWEZNQCLSA-N 1 0 313.401 3.083 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCCCC2=O)c(O)c1 ZINC000815577131 627686256 /nfs/dbraw/zinc/68/62/56/627686256.db2.gz HFBCTPJBHPFCQF-HNNXBMFYSA-N 1 0 304.434 3.062 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)c(O)c1 ZINC000815571528 627686287 /nfs/dbraw/zinc/68/62/87/627686287.db2.gz GGYGGMULZPYWHX-CYBMUJFWSA-N 1 0 312.404 3.389 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1 ZINC000815580109 627686996 /nfs/dbraw/zinc/68/69/96/627686996.db2.gz CFOYSUDHZFXVRD-JYJNAYRXSA-N 1 0 318.461 3.307 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc2c1OCO2 ZINC000924863142 627688287 /nfs/dbraw/zinc/68/82/87/627688287.db2.gz VTNNAYNJTYWWCK-LBPRGKRZSA-N 1 0 316.376 3.471 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000815596951 627689001 /nfs/dbraw/zinc/68/90/01/627689001.db2.gz JCGYPUCXAOIINA-HOTGVXAUSA-N 1 0 319.445 3.388 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000815596952 627689070 /nfs/dbraw/zinc/68/90/70/627689070.db2.gz JCGYPUCXAOIINA-HZPDHXFCSA-N 1 0 319.445 3.388 20 10 DGCDRO CC[C@@H]([NH2+]CCc1nccnc1C)c1cc(Cl)ccc1O ZINC000815651136 627694658 /nfs/dbraw/zinc/69/46/58/627694658.db2.gz KYFNTOITJYNGAD-CQSZACIVSA-N 1 0 305.809 3.427 20 10 DGCDRO C[C@H]([NH3+])[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000925529697 627748418 /nfs/dbraw/zinc/74/84/18/627748418.db2.gz LLSSURDRPBCGAR-SCLBCKFNSA-N 1 0 301.409 3.070 20 10 DGCDRO CC(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816533567 627803445 /nfs/dbraw/zinc/80/34/45/627803445.db2.gz BDPAXJBKZSWFFC-UHFFFAOYSA-N 1 0 314.832 3.395 20 10 DGCDRO O=C(CC[NH2+]Cc1ccc2ccccc2c1O)N1CCCCC1 ZINC000816536044 627804345 /nfs/dbraw/zinc/80/43/45/627804345.db2.gz KGHNDPXDADOESF-UHFFFAOYSA-N 1 0 312.413 3.038 20 10 DGCDRO COCCOCCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816545591 627804857 /nfs/dbraw/zinc/80/48/57/627804857.db2.gz XEUVOKMYMZRERX-UHFFFAOYSA-N 1 0 303.402 3.078 20 10 DGCDRO CN(CC[NH2+]Cc1ccc2ccccc2c1O)CC(F)(F)F ZINC000816549677 627805575 /nfs/dbraw/zinc/80/55/75/627805575.db2.gz VMFZLMANKDAKIG-UHFFFAOYSA-N 1 0 312.335 3.129 20 10 DGCDRO Oc1cc(F)c(Cl)cc1CNc1c[nH+]ccc1-n1cccn1 ZINC000816560117 627808222 /nfs/dbraw/zinc/80/82/22/627808222.db2.gz FCKNOAIVHKFKCU-UHFFFAOYSA-N 1 0 318.739 3.378 20 10 DGCDRO Cc1cccc(NCC[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC000816563378 627808580 /nfs/dbraw/zinc/80/85/80/627808580.db2.gz WCSLVMTWOWIBJU-UHFFFAOYSA-N 1 0 307.397 3.451 20 10 DGCDRO COCCO[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816600413 627813759 /nfs/dbraw/zinc/81/37/59/627813759.db2.gz WEOWPGKJAXRDNU-KRWDZBQOSA-N 1 0 315.413 3.173 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H](C)[S@@]1=O ZINC000816608817 627814868 /nfs/dbraw/zinc/81/48/68/627814868.db2.gz KEOGOYBZQDJKHQ-IATAILRESA-N 1 0 317.454 3.277 20 10 DGCDRO CCOc1ccc(O)c(CN2CC[N@H+](C)Cc3ccccc32)c1 ZINC000816617839 627815777 /nfs/dbraw/zinc/81/57/77/627815777.db2.gz JWMCJRBYLSWOSJ-UHFFFAOYSA-N 1 0 312.413 3.243 20 10 DGCDRO COC[C@H]1CC[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000816636611 627817548 /nfs/dbraw/zinc/81/75/48/627817548.db2.gz CBQHKSVKPQGYNN-HXUWFJFHSA-N 1 0 322.452 3.470 20 10 DGCDRO CON1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000817419111 627898386 /nfs/dbraw/zinc/89/83/86/627898386.db2.gz PGGGAEHOVFGOIX-UHFFFAOYSA-N 1 0 312.413 3.175 20 10 DGCDRO Cc1nonc1[C@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000926597134 627919719 /nfs/dbraw/zinc/91/97/19/627919719.db2.gz USVWFJIKKTWJNR-OLZOCXBDSA-N 1 0 302.422 3.034 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1cn(C)cn1 ZINC000926596556 627920153 /nfs/dbraw/zinc/92/01/53/627920153.db2.gz PWLXUVLBTTXQBP-CABCVRRESA-N 1 0 300.450 3.076 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)C3(Cl)CC3)C2)cc1 ZINC000926610913 627921280 /nfs/dbraw/zinc/92/12/80/627921280.db2.gz GZCLWLVDHITRJH-KGLIPLIRSA-N 1 0 308.853 3.271 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000817587453 627926878 /nfs/dbraw/zinc/92/68/78/627926878.db2.gz XLISMMBIVIAMQV-JHJVBQTASA-N 1 0 324.852 3.296 20 10 DGCDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1=O ZINC000817590043 627927335 /nfs/dbraw/zinc/92/73/35/627927335.db2.gz SQRUIRPQUPUFMO-CHWSQXEVSA-N 1 0 324.852 3.263 20 10 DGCDRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2O)CCOCC1 ZINC000817588405 627927366 /nfs/dbraw/zinc/92/73/66/627927366.db2.gz ORLMWRUALIYNEV-VXGBXAGGSA-N 1 0 313.825 3.280 20 10 DGCDRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCOCC1 ZINC000817589062 627927395 /nfs/dbraw/zinc/92/73/95/627927395.db2.gz SZFTUFLLJYPQOB-GJZGRUSLSA-N 1 0 307.434 3.244 20 10 DGCDRO CCCN1C[C@H](C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)CC1=O ZINC000817588454 627927706 /nfs/dbraw/zinc/92/77/06/627927706.db2.gz FTCFHXWGJRISDB-CVEARBPZSA-N 1 0 317.477 3.052 20 10 DGCDRO CC[C@H](C[C@@](C)(O)CC)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000926680258 627931625 /nfs/dbraw/zinc/93/16/25/627931625.db2.gz LGGXNFSDSSFFTQ-MDZRGWNJSA-N 1 0 320.477 3.193 20 10 DGCDRO CC[C@H](C[C@](C)(O)CC)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000926680256 627932042 /nfs/dbraw/zinc/93/20/42/627932042.db2.gz LGGXNFSDSSFFTQ-JTDSTZFVSA-N 1 0 320.477 3.193 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc(C3CC3)c2)cc1 ZINC000817864417 627951045 /nfs/dbraw/zinc/95/10/45/627951045.db2.gz GTYPFISKDQYKKC-HXUWFJFHSA-N 1 0 309.457 3.420 20 10 DGCDRO COc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817938362 627966589 /nfs/dbraw/zinc/96/65/89/627966589.db2.gz JKJVGUQYRRGWMK-LIRRHRJNSA-N 1 0 313.445 3.112 20 10 DGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000817938170 627966743 /nfs/dbraw/zinc/96/67/43/627966743.db2.gz GABVGLMDLRQUFL-XIKOKIGWSA-N 1 0 319.399 3.381 20 10 DGCDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938557 627966879 /nfs/dbraw/zinc/96/68/79/627966879.db2.gz MZMAICANSUOCOG-UXHICEINSA-N 1 0 309.457 3.338 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000817938793 627967368 /nfs/dbraw/zinc/96/73/68/627967368.db2.gz SLMGXSZXBPVSCA-SCLBCKFNSA-N 1 0 301.409 3.242 20 10 DGCDRO Cc1ccsc1[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938953 627967589 /nfs/dbraw/zinc/96/75/89/627967589.db2.gz WFFPNQSMCIZVLV-CJNGLKHVSA-N 1 0 303.475 3.473 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000817941904 627968340 /nfs/dbraw/zinc/96/83/40/627968340.db2.gz LRISUMWKTLYADD-SFTDATJTSA-N 1 0 323.484 3.363 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000817941898 627968359 /nfs/dbraw/zinc/96/83/59/627968359.db2.gz LRISUMWKTLYADD-LEWJYISDSA-N 1 0 323.484 3.363 20 10 DGCDRO C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940432 627968480 /nfs/dbraw/zinc/96/84/80/627968480.db2.gz HENNAIXLVJTIOH-VIFPVBQESA-N 1 0 303.233 3.349 20 10 DGCDRO C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940431 627968648 /nfs/dbraw/zinc/96/86/48/627968648.db2.gz HENNAIXLVJTIOH-SECBINFHSA-N 1 0 303.233 3.349 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H](C2CC2)C2CCCC2)cc1 ZINC000817940877 627968794 /nfs/dbraw/zinc/96/87/94/627968794.db2.gz LTNCDPAEQNGLAX-RTBURBONSA-N 1 0 301.478 3.311 20 10 DGCDRO CC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817942771 627969881 /nfs/dbraw/zinc/96/98/81/627969881.db2.gz QVVXXSMQQGPEQI-DLBZAZTESA-N 1 0 316.424 3.027 20 10 DGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)nc1 ZINC000817944300 627969909 /nfs/dbraw/zinc/96/99/09/627969909.db2.gz ZASUBBGCJZSUED-LRDDRELGSA-N 1 0 318.852 3.152 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H](c2cccnc2)C2CCC2)cc1 ZINC000817943263 627970027 /nfs/dbraw/zinc/97/00/27/627970027.db2.gz SXJZCELRPOIATI-WOJBJXKFSA-N 1 0 324.472 3.278 20 10 DGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)NC[C@H]1CCC[NH2+]1 ZINC000817953268 627973152 /nfs/dbraw/zinc/97/31/52/627973152.db2.gz YFJIBWMYPBAFSJ-IEBWSBKVSA-N 1 0 310.441 3.408 20 10 DGCDRO C[C@H](NCC[NH2+]C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817953751 627973205 /nfs/dbraw/zinc/97/32/05/627973205.db2.gz QLCWXWULDYSBEV-AWEZNQCLSA-N 1 0 305.441 3.219 20 10 DGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCNC1CC1 ZINC000817953355 627973681 /nfs/dbraw/zinc/97/36/81/627973681.db2.gz LDRPMVIVCWTVBI-LJQANCHMSA-N 1 0 310.441 3.408 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)c2c1c(F)ccc2O ZINC000817958411 627974945 /nfs/dbraw/zinc/97/49/45/627974945.db2.gz VJMMGFQZLXUIHF-XHDPSFHLSA-N 1 0 300.377 3.494 20 10 DGCDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817957865 627974967 /nfs/dbraw/zinc/97/49/67/627974967.db2.gz PZYCOVLFKFHBMK-FUHWJXTLSA-N 1 0 318.461 3.303 20 10 DGCDRO CCCC[C@H](CN)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000817961682 627976936 /nfs/dbraw/zinc/97/69/36/627976936.db2.gz CGVNXSPYRLWYEF-ZYHUDNBSSA-N 1 0 315.255 3.323 20 10 DGCDRO CCC[NH2+]CCN[C@@H](CC)c1cc(Br)ccc1O ZINC000817961884 627977163 /nfs/dbraw/zinc/97/71/63/627977163.db2.gz FTJDKOIXXBDMOJ-ZDUSSCGKSA-N 1 0 315.255 3.195 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968519 627978794 /nfs/dbraw/zinc/97/87/94/627978794.db2.gz KUVAJGRSBWXERF-UWVGGRQHSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972045 627980365 /nfs/dbraw/zinc/98/03/65/627980365.db2.gz SREHQZPIAIMDDI-BBBLOLIVSA-N 1 0 303.233 3.490 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976149 627980915 /nfs/dbraw/zinc/98/09/15/627980915.db2.gz HMJLCKSCGRJRKW-BXKDBHETSA-N 1 0 315.244 3.492 20 10 DGCDRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1O ZINC000817980289 627982308 /nfs/dbraw/zinc/98/23/08/627982308.db2.gz KMAQIPITWWNOHJ-NHYWBVRUSA-N 1 0 306.356 3.193 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1 ZINC000926923594 627982834 /nfs/dbraw/zinc/98/28/34/627982834.db2.gz WRWQQGNPDBHZJH-QWHCGFSZSA-N 1 0 316.367 3.378 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000926961386 627990765 /nfs/dbraw/zinc/99/07/65/627990765.db2.gz ITAVJAUFTFYKAR-SWLSCSKDSA-N 1 0 317.399 3.286 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1 ZINC000927013728 627997271 /nfs/dbraw/zinc/99/72/71/627997271.db2.gz LZKHVVWBTUYTBN-HUUCEWRRSA-N 1 0 305.418 3.079 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c(O)c1 ZINC000927015652 627997959 /nfs/dbraw/zinc/99/79/59/627997959.db2.gz RMXOSOZWFBUWDW-GJZGRUSLSA-N 1 0 305.418 3.079 20 10 DGCDRO C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c2c1c(F)ccc2O ZINC000927059559 628004893 /nfs/dbraw/zinc/00/48/93/628004893.db2.gz DIBFOXNHKSHOQJ-YLHIVMMESA-N 1 0 321.392 3.352 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000818221779 628006405 /nfs/dbraw/zinc/00/64/05/628006405.db2.gz SZSOWYAIBQTKKT-IAGOWNOFSA-N 1 0 300.446 3.467 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC23CC3)ccc1N1CCCCC1 ZINC000818229050 628007180 /nfs/dbraw/zinc/00/71/80/628007180.db2.gz KDGBPIDNMQFOLU-INIZCTEOSA-N 1 0 301.390 3.227 20 10 DGCDRO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000927081670 628010354 /nfs/dbraw/zinc/01/03/54/628010354.db2.gz VFOHQYWAJZINKO-DZGCQCFKSA-N 1 0 301.386 3.002 20 10 DGCDRO COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818345244 628016493 /nfs/dbraw/zinc/01/64/93/628016493.db2.gz SKNWILWCOVQIEH-IRXDYDNUSA-N 1 0 320.477 3.172 20 10 DGCDRO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc3ccccc3c2O)n1 ZINC000818345402 628016695 /nfs/dbraw/zinc/01/66/95/628016695.db2.gz MXZVZFZYRYMHBF-GFCCVEGCSA-N 1 0 310.401 3.316 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC3)n(C)n2)c2c1c(F)ccc2O ZINC000927109888 628017254 /nfs/dbraw/zinc/01/72/54/628017254.db2.gz ZIYSBEZHDAKLLV-YGRLFVJLSA-N 1 0 315.392 3.480 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(N2CCOCC2)cc1Cl ZINC000818356003 628017587 /nfs/dbraw/zinc/01/75/87/628017587.db2.gz HRFABOQRSHFYGV-BLLLJJGKSA-N 1 0 306.837 3.380 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000818359368 628018345 /nfs/dbraw/zinc/01/83/45/628018345.db2.gz JMYFKTRYPQCXLZ-HNKHHVNMSA-N 1 0 304.409 3.111 20 10 DGCDRO CC(C)CC[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964147 628068612 /nfs/dbraw/zinc/06/86/12/628068612.db2.gz MHCXGTRVKSBPEH-SFHVURJKSA-N 1 0 322.518 3.127 20 10 DGCDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818984572 628072901 /nfs/dbraw/zinc/07/29/01/628072901.db2.gz CNBFWCIOIYTSOH-SFHVURJKSA-N 1 0 320.383 3.162 20 10 DGCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818985513 628072970 /nfs/dbraw/zinc/07/29/70/628072970.db2.gz VWTNLMVMJAWXTI-FQEVSTJZSA-N 1 0 310.441 3.201 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]CC3(O)CCCC3)cc2)CC1 ZINC000819038894 628082103 /nfs/dbraw/zinc/08/21/03/628082103.db2.gz KPVBSXBRGFMSHR-UHFFFAOYSA-N 1 0 302.462 3.318 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000819373083 628143648 /nfs/dbraw/zinc/14/36/48/628143648.db2.gz AZELOEUXZWBFLE-OXJNMPFZSA-N 1 0 312.457 3.315 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000823584174 628576441 /nfs/dbraw/zinc/57/64/41/628576441.db2.gz DOLAWCZLDGFPET-UHFFFAOYSA-N 1 0 317.502 3.426 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C3CC3)nn2C)cc1 ZINC000823671764 628585560 /nfs/dbraw/zinc/58/55/60/628585560.db2.gz VKGXPEHXYHHKDT-UHFFFAOYSA-N 1 0 312.461 3.434 20 10 DGCDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000823730360 628591119 /nfs/dbraw/zinc/59/11/19/628591119.db2.gz VHYUNNCTZFGDRD-KVSKMBFKSA-N 1 0 318.461 3.131 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CSc3ccccc31)OCO2 ZINC000824483563 628664534 /nfs/dbraw/zinc/66/45/34/628664534.db2.gz QJASYMCYQMYYDH-LBPRGKRZSA-N 1 0 315.394 3.100 20 10 DGCDRO CC[N@H+](Cc1ccnn1CC1CC1)Cc1ccc(N(C)C)cc1 ZINC000824484682 628665052 /nfs/dbraw/zinc/66/50/52/628665052.db2.gz QJTBAYINGCQMER-UHFFFAOYSA-N 1 0 312.461 3.381 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1O ZINC000824500937 628665461 /nfs/dbraw/zinc/66/54/61/628665461.db2.gz BMMZXSUDEWYGOR-INIZCTEOSA-N 1 0 323.795 3.186 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](CC(C)C)CN2CCCC2)c1 ZINC000824558954 628671281 /nfs/dbraw/zinc/67/12/81/628671281.db2.gz AIAYPVAAGIKHCV-INIZCTEOSA-N 1 0 306.450 3.001 20 10 DGCDRO CO[C@H](C[NH2+]Cc1cc(Cl)ccc1O)Cc1ccccc1 ZINC000824589448 628674703 /nfs/dbraw/zinc/67/47/03/628674703.db2.gz CWKUHYIMQOZGCJ-INIZCTEOSA-N 1 0 305.805 3.393 20 10 DGCDRO COC[C@H](C)Oc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000824593631 628675134 /nfs/dbraw/zinc/67/51/34/628675134.db2.gz RHXWJWWEIJDPAY-HNNXBMFYSA-N 1 0 315.413 3.438 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636471 628679515 /nfs/dbraw/zinc/67/95/15/628679515.db2.gz QRRXUISUBNFAKA-HKUYNNGSSA-N 1 0 315.388 3.001 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000824696326 628684675 /nfs/dbraw/zinc/68/46/75/628684675.db2.gz LJXXNAKDVQSPEJ-GUDVDZBRSA-N 1 0 302.462 3.268 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000824696313 628684869 /nfs/dbraw/zinc/68/48/69/628684869.db2.gz KXJURFRMTFENJT-ZACQAIPSSA-N 1 0 319.445 3.306 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F ZINC000824715096 628686072 /nfs/dbraw/zinc/68/60/72/628686072.db2.gz HQNLEOBRZORQCM-KYJSFNMBSA-N 1 0 306.425 3.017 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(OC)c1ccccc1 ZINC000824780648 628692873 /nfs/dbraw/zinc/69/28/73/628692873.db2.gz YFMSPNIZVNYFRL-GOSISDBHSA-N 1 0 301.386 3.052 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000824798570 628694414 /nfs/dbraw/zinc/69/44/14/628694414.db2.gz DZHLTFUTPXYSQC-RDTXWAMCSA-N 1 0 307.434 3.332 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](C)O ZINC000824921295 628707375 /nfs/dbraw/zinc/70/73/75/628707375.db2.gz IMBIGHRKHQFONS-QMTHXVAHSA-N 1 0 304.356 3.020 20 10 DGCDRO COc1cccc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c1O ZINC000824970119 628712010 /nfs/dbraw/zinc/71/20/10/628712010.db2.gz JHPFEQDGJAKXHZ-ZDUSSCGKSA-N 1 0 304.217 3.464 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c1 ZINC000824971498 628712041 /nfs/dbraw/zinc/71/20/41/628712041.db2.gz SAATZYXTMSCVBG-CYBMUJFWSA-N 1 0 304.217 3.464 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CC(c3ccc(Cl)cc3)C1)OCO2 ZINC000824987783 628713377 /nfs/dbraw/zinc/71/33/77/628713377.db2.gz ADXWAXCZBLPLAT-UHFFFAOYSA-N 1 0 317.772 3.374 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Cl ZINC000825049985 628721084 /nfs/dbraw/zinc/72/10/84/628721084.db2.gz OKVUZHHGIVNLQG-UHFFFAOYSA-N 1 0 305.761 3.373 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000825172484 628734738 /nfs/dbraw/zinc/73/47/38/628734738.db2.gz UWEMTHFSDGQVJP-UHFFFAOYSA-N 1 0 323.190 3.310 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)C2(O)CCCC2)c1 ZINC000825232484 628740210 /nfs/dbraw/zinc/74/02/10/628740210.db2.gz XOYRVXGTVJNGIH-UHFFFAOYSA-N 1 0 307.434 3.212 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825283783 628746003 /nfs/dbraw/zinc/74/60/03/628746003.db2.gz SXUCAQCJDWGEHJ-KRWDZBQOSA-N 1 0 321.804 3.186 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2cccs2)cc1Cl ZINC000825291760 628747308 /nfs/dbraw/zinc/74/73/08/628747308.db2.gz PLGVHWJDSWLVHZ-OAHLLOKOSA-N 1 0 311.834 3.413 20 10 DGCDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825331412 628750794 /nfs/dbraw/zinc/75/07/94/628750794.db2.gz NMDCFFIBBOXJAV-MRXNPFEDSA-N 1 0 305.805 3.486 20 10 DGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(Br)cc1O ZINC000825347400 628752698 /nfs/dbraw/zinc/75/26/98/628752698.db2.gz LECDKQBDACZHKB-MNOVXSKESA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCc2cnc(C3CC3)nc2)cc1Cl ZINC000825390364 628757305 /nfs/dbraw/zinc/75/73/05/628757305.db2.gz FGEUMQOJPRGRKX-UHFFFAOYSA-N 1 0 317.820 3.354 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1Cl ZINC000825396059 628757660 /nfs/dbraw/zinc/75/76/60/628757660.db2.gz OKOXOCICECRSGP-KRWDZBQOSA-N 1 0 323.795 3.490 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c(O)c(C(C)(C)C)c1 ZINC000825501261 628769171 /nfs/dbraw/zinc/76/91/71/628769171.db2.gz NTYFIZWMLYQPSO-MRXNPFEDSA-N 1 0 321.461 3.434 20 10 DGCDRO COc1cc(C[N@H+](C)CC2(O)CCC2)c(O)c(C(C)(C)C)c1 ZINC000825514979 628770811 /nfs/dbraw/zinc/77/08/11/628770811.db2.gz WCKGBTSNNADESU-UHFFFAOYSA-N 1 0 307.434 3.045 20 10 DGCDRO COc1cc(C[NH+]2CC([C@@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000825737653 628793264 /nfs/dbraw/zinc/79/32/64/628793264.db2.gz CKWGKGARSJXQOB-CYBMUJFWSA-N 1 0 319.445 3.167 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1Cl ZINC000825928211 628811052 /nfs/dbraw/zinc/81/10/52/628811052.db2.gz NUMXYOBARHXOBC-GFCCVEGCSA-N 1 0 305.809 3.077 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CS[C@@H](C(C)C)C3)C2)cc1 ZINC000826845871 628894378 /nfs/dbraw/zinc/89/43/78/628894378.db2.gz MNWHOEJFRVBRFD-RLFYNMQTSA-N 1 0 320.502 3.394 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCc2cnccc2C)c1O ZINC000826926479 628904639 /nfs/dbraw/zinc/90/46/39/628904639.db2.gz DFECMVZCPVLIDY-UHFFFAOYSA-N 1 0 306.793 3.090 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cccc(OC)c1 ZINC000827011019 628912744 /nfs/dbraw/zinc/91/27/44/628912744.db2.gz DRRQPKFEMLDGMB-MRXNPFEDSA-N 1 0 305.349 3.017 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)COc2c(F)cccc2F)c1 ZINC000827105758 628922299 /nfs/dbraw/zinc/92/22/99/628922299.db2.gz HLDAFKGZRFDMRT-NSHDSACASA-N 1 0 323.339 3.236 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000827237626 628940172 /nfs/dbraw/zinc/94/01/72/628940172.db2.gz VHQOAFZYQJFFPQ-WMZOPIPTSA-N 1 0 313.397 3.063 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1Cl ZINC000827252083 628942073 /nfs/dbraw/zinc/94/20/73/628942073.db2.gz WLVOZRPLYPHHBV-KGLIPLIRSA-N 1 0 317.763 3.258 20 10 DGCDRO FCC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000827270734 628943864 /nfs/dbraw/zinc/94/38/64/628943864.db2.gz DSTAUCCWBTWOEL-OAHLLOKOSA-N 1 0 324.415 3.234 20 10 DGCDRO COc1cccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)c1O ZINC000827377185 628954385 /nfs/dbraw/zinc/95/43/85/628954385.db2.gz RPAZLRNYXOIHLG-MRXNPFEDSA-N 1 0 305.418 3.182 20 10 DGCDRO CC(C)[C@H](O)[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000827525901 628967999 /nfs/dbraw/zinc/96/79/99/628967999.db2.gz CQMLVQOSPJVYHX-ROUUACIJSA-N 1 0 303.377 3.379 20 10 DGCDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1O ZINC000827686777 628982993 /nfs/dbraw/zinc/98/29/93/628982993.db2.gz GFLFGQCRZVYKGZ-ZDUSSCGKSA-N 1 0 324.852 3.091 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)c2nccn2C)c1O ZINC000827722825 628986091 /nfs/dbraw/zinc/98/60/91/628986091.db2.gz WRNDFHFDEJKCMG-SNVBAGLBSA-N 1 0 324.222 3.047 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000827750344 628988048 /nfs/dbraw/zinc/98/80/48/628988048.db2.gz DZVACLNHLBGYIV-ZBFHGGJFSA-N 1 0 311.809 3.257 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cccc(OCC)c1O ZINC000827750606 628988343 /nfs/dbraw/zinc/98/83/43/628988343.db2.gz KZPVVAOEGIROML-CRAIPNDOSA-N 1 0 321.417 3.002 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCC[C@@H]3CCOC3)CC2)cc1 ZINC000827802238 628992676 /nfs/dbraw/zinc/99/26/76/628992676.db2.gz CULRWJWGQZHOPC-QGZVFWFLSA-N 1 0 318.461 3.024 20 10 DGCDRO C[N@H+](CC1=CCSC1)Cc1cccc(Br)c1[O-] ZINC000827806868 628993326 /nfs/dbraw/zinc/99/33/26/628993326.db2.gz WZGUZKWQFGDQGV-UHFFFAOYSA-N 1 0 314.248 3.260 20 10 DGCDRO CCc1cccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1O ZINC000827849115 628996740 /nfs/dbraw/zinc/99/67/40/628996740.db2.gz AAYGBMDCSZGHNX-KDURUIRLSA-N 1 0 301.430 3.347 20 10 DGCDRO Cc1cc(C[NH2+]C2(CO)CCCC2)ccc1N1CCCCC1 ZINC000828392049 629050496 /nfs/dbraw/zinc/05/04/96/629050496.db2.gz JADIBLSQCWIMAE-UHFFFAOYSA-N 1 0 302.462 3.380 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c1 ZINC000828681881 629082096 /nfs/dbraw/zinc/08/20/96/629082096.db2.gz HKAHINNRLDDOKV-BIENJYKASA-N 1 0 315.413 3.216 20 10 DGCDRO Cc1cc(C[N@@H+](C)CC2(CO)CC2)ccc1N1CCCCC1 ZINC000829107320 629130646 /nfs/dbraw/zinc/13/06/46/629130646.db2.gz PJGIAFBGAVPGSO-UHFFFAOYSA-N 1 0 302.462 3.190 20 10 DGCDRO COCCOCC[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829932153 629209957 /nfs/dbraw/zinc/20/99/57/629209957.db2.gz ZTAIGMMPHKDQEW-UHFFFAOYSA-N 1 0 320.477 3.080 20 10 DGCDRO Cc1cc(C[NH2+][C@](C)(CO)C(C)C)ccc1N1CCCCC1 ZINC000829957327 629212502 /nfs/dbraw/zinc/21/25/02/629212502.db2.gz GJFLSAUWRWZXEY-LJQANCHMSA-N 1 0 304.478 3.482 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H](O)CC2)ccc1N1CCCCC1 ZINC000830052102 629220677 /nfs/dbraw/zinc/22/06/77/629220677.db2.gz IOBXCZAFLROCOU-SFHVURJKSA-N 1 0 302.462 3.332 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](CCO)c2ccccc2F)cc1 ZINC000830355046 629257125 /nfs/dbraw/zinc/25/71/25/629257125.db2.gz CLJNWQJQFNHASM-SFHVURJKSA-N 1 0 302.393 3.105 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1N(C)C ZINC000831166521 629345369 /nfs/dbraw/zinc/34/53/69/629345369.db2.gz UACDZQPAMOKVNI-BHIYHBOVSA-N 1 0 302.462 3.186 20 10 DGCDRO CCOC(=O)N[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)CC(C)C ZINC000834501997 629718459 /nfs/dbraw/zinc/71/84/59/629718459.db2.gz LRVDSDWYFJKDIA-GJZGRUSLSA-N 1 0 320.433 3.130 20 10 DGCDRO COc1ccc(OCCC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000834530304 629720833 /nfs/dbraw/zinc/72/08/33/629720833.db2.gz FBOQVZKTEATPKE-QGZVFWFLSA-N 1 0 313.397 3.447 20 10 DGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCc2ccccc2C1 ZINC000834538698 629723819 /nfs/dbraw/zinc/72/38/19/629723819.db2.gz WBKXQNZRNULWBF-DNVCBOLYSA-N 1 0 322.452 3.416 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000834589731 629736317 /nfs/dbraw/zinc/73/63/17/629736317.db2.gz OFYBXAPDGBOWFC-GOSISDBHSA-N 1 0 300.450 3.072 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)CC2 ZINC000834668807 629752586 /nfs/dbraw/zinc/75/25/86/629752586.db2.gz OBXMJKXZIBPUNL-ZBFHGGJFSA-N 1 0 303.789 3.356 20 10 DGCDRO Cn1c2ccccc2cc(C[NH2+][C@H]2CCc3cccc(O)c32)c1=O ZINC000834806546 629782796 /nfs/dbraw/zinc/78/27/96/629782796.db2.gz DXRGVDICXFOXRW-INIZCTEOSA-N 1 0 320.392 3.021 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834845001 629788905 /nfs/dbraw/zinc/78/89/05/629788905.db2.gz XLBRABQVVSWGOR-RYUDHWBXSA-N 1 0 303.324 3.327 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(N(C)CC)cc1)C(C)C ZINC000834878514 629795075 /nfs/dbraw/zinc/79/50/75/629795075.db2.gz DVCFFXRINCWGED-YJBOKZPZSA-N 1 0 319.493 3.296 20 10 DGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000834886864 629798077 /nfs/dbraw/zinc/79/80/77/629798077.db2.gz PHSAPYMMIZZNMI-MRCXROJRSA-N 1 0 314.223 3.373 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(F)ccc1O ZINC000834890094 629798644 /nfs/dbraw/zinc/79/86/44/629798644.db2.gz CWXFBLWNFOGIMB-PNPHSEOMSA-N 1 0 316.376 3.497 20 10 DGCDRO C[C@@H]([NH2+]CCC1(CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000834895703 629799928 /nfs/dbraw/zinc/79/99/28/629799928.db2.gz CQTKVYDACORLCL-MRXNPFEDSA-N 1 0 302.462 3.490 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000834896760 629800732 /nfs/dbraw/zinc/80/07/32/629800732.db2.gz NOCJJTXWPZIOJB-NEPJUHHUSA-N 1 0 307.825 3.369 20 10 DGCDRO CN(C)c1ccc(/C=C\CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000835026452 629827985 /nfs/dbraw/zinc/82/79/85/629827985.db2.gz WSOWXFMZEVLPMY-YEODSOHDSA-N 1 0 301.478 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000835029570 629828776 /nfs/dbraw/zinc/82/87/76/629828776.db2.gz RKSWMYYAVUROTM-MGDPNLISSA-N 1 0 300.446 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000835029266 629828918 /nfs/dbraw/zinc/82/89/18/629828918.db2.gz RXHBFOBPOQSIPW-PYTPGESOSA-N 1 0 324.472 3.064 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@](C)(O)c2cccs2)cc1 ZINC000835039480 629831871 /nfs/dbraw/zinc/83/18/71/629831871.db2.gz FHYWNRKMQUNMKX-WLPBJKJWSA-N 1 0 316.470 3.325 20 10 DGCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1 ZINC000835040379 629832447 /nfs/dbraw/zinc/83/24/47/629832447.db2.gz OWCRUTFBDFXWAJ-PTZVLDCSSA-N 1 0 323.440 3.383 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccc(CO)cc2)cc1 ZINC000835041913 629832686 /nfs/dbraw/zinc/83/26/86/629832686.db2.gz BKRJAGFPYDXHIU-ONEGZZNKSA-N 1 0 310.441 3.090 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2cnc(C3CC3)nc2)cc1 ZINC000835041953 629833208 /nfs/dbraw/zinc/83/32/08/629833208.db2.gz PNSTXCUCKVVKNB-ARJAWSKDSA-N 1 0 322.456 3.266 20 10 DGCDRO COC(=O)[C@@H](C)C[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835043940 629834132 /nfs/dbraw/zinc/83/41/32/629834132.db2.gz CRCRDRPNWNFZCW-NFAHFFEMSA-N 1 0 316.445 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000835045862 629834653 /nfs/dbraw/zinc/83/46/53/629834653.db2.gz DXTJIUVDJCYQKE-IDOMTICXSA-N 1 0 302.443 3.151 20 10 DGCDRO CCN(C/C=C/c1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000835046600 629834983 /nfs/dbraw/zinc/83/49/83/629834983.db2.gz TYQBYRFNKUOOLT-LLYBFZRZSA-N 1 0 316.367 3.011 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1 ZINC000835048963 629835489 /nfs/dbraw/zinc/83/54/89/629835489.db2.gz NTOXUEZEQHRXTD-CHYADLBTSA-N 1 0 308.425 3.228 20 10 DGCDRO CCOC(=O)C1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCC1 ZINC000835048377 629835643 /nfs/dbraw/zinc/83/56/43/629835643.db2.gz QQIYGKBEHZWMLN-FNORWQNLSA-N 1 0 316.445 3.089 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000835049454 629836123 /nfs/dbraw/zinc/83/61/23/629836123.db2.gz DSKPVESOQAQKSV-BBIZLLLXSA-N 1 0 324.468 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000835049550 629836374 /nfs/dbraw/zinc/83/63/74/629836374.db2.gz KAEYMBVNYXFOJN-FSUAIEIUSA-N 1 0 300.446 3.409 20 10 DGCDRO CO[C@H](CC[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(F)(F)F ZINC000835049429 629836583 /nfs/dbraw/zinc/83/65/83/629836583.db2.gz DNGCKJOCCXAQRL-MBVDDHJVSA-N 1 0 316.367 3.323 20 10 DGCDRO CC(C)[N@@H+]1CC[C@H](N(C)C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835054616 629838317 /nfs/dbraw/zinc/83/83/17/629838317.db2.gz LOHBLQFXOABURE-RURPWVQCSA-N 1 0 301.478 3.180 20 10 DGCDRO C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[N@@H+](C2CC2)C1 ZINC000835055548 629838793 /nfs/dbraw/zinc/83/87/93/629838793.db2.gz WATDATCUXOHLKZ-CHYADLBTSA-N 1 0 313.489 3.182 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c1 ZINC000835064867 629842442 /nfs/dbraw/zinc/84/24/42/629842442.db2.gz BSNARIDWMSZYPQ-QGZVFWFLSA-N 1 0 307.434 3.068 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c1 ZINC000835065276 629842577 /nfs/dbraw/zinc/84/25/77/629842577.db2.gz GWUBBMHHKNCACK-GOSISDBHSA-N 1 0 321.461 3.458 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccccc1O ZINC000840881058 630371552 /nfs/dbraw/zinc/37/15/52/630371552.db2.gz NLUJEESTJQLWQZ-PBHICJAKSA-N 1 0 303.377 3.348 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000840892592 630373716 /nfs/dbraw/zinc/37/37/16/630373716.db2.gz BKOGXSSGPWBYGV-HDMKZQKVSA-N 1 0 312.461 3.484 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000840893390 630373867 /nfs/dbraw/zinc/37/38/67/630373867.db2.gz IYDKLYWBNNTDJG-LZLYRXPVSA-N 1 0 315.505 3.207 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000840893779 630373943 /nfs/dbraw/zinc/37/39/43/630373943.db2.gz LSIXVXPUXLNSJB-KSSFIOAISA-N 1 0 312.461 3.382 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccsc2)c(Cl)c1 ZINC000840898773 630374276 /nfs/dbraw/zinc/37/42/76/630374276.db2.gz GDESGTOZKFLBHW-OAHLLOKOSA-N 1 0 311.834 3.413 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000840899140 630374314 /nfs/dbraw/zinc/37/43/14/630374314.db2.gz ZHXCXVGOKGNZED-NVXWUHKLSA-N 1 0 312.388 3.387 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccccc2)c(Cl)c1 ZINC000840897111 630374447 /nfs/dbraw/zinc/37/44/47/630374447.db2.gz JNUANPLFPVKADQ-QGZVFWFLSA-N 1 0 305.805 3.351 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCn1cnc2ccccc21 ZINC000840930044 630379527 /nfs/dbraw/zinc/37/95/27/630379527.db2.gz HJQZUILIABPTAS-UHFFFAOYSA-N 1 0 308.429 3.201 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)COCC(F)(F)F ZINC000840931112 630379913 /nfs/dbraw/zinc/37/99/13/630379913.db2.gz SMIHSDUSLFMXQA-GFCCVEGCSA-N 1 0 304.356 3.118 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938096 630381217 /nfs/dbraw/zinc/38/12/17/630381217.db2.gz XKVPYKGALCNBBM-QGZVFWFLSA-N 1 0 316.445 3.391 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000840953194 630383326 /nfs/dbraw/zinc/38/33/26/630383326.db2.gz IMXRMRRITDQPTC-ARJAWSKDSA-N 1 0 322.456 3.435 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000840956128 630384775 /nfs/dbraw/zinc/38/47/75/630384775.db2.gz DDPXPRVMJYXPHP-SJLPKXTDSA-N 1 0 313.397 3.099 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000840977115 630390002 /nfs/dbraw/zinc/39/00/02/630390002.db2.gz RLTXBCBKHSCITD-HNNXBMFYSA-N 1 0 324.472 3.449 20 10 DGCDRO CC[C@](C[NH2+]Cc1ccccc1O)(C(=O)OC)c1ccccc1 ZINC000840977199 630390019 /nfs/dbraw/zinc/39/00/19/630390019.db2.gz GGUJHBZHUJIYKZ-LJQANCHMSA-N 1 0 313.397 3.003 20 10 DGCDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000840978137 630390333 /nfs/dbraw/zinc/39/03/33/630390333.db2.gz LKEMROZDUMYQNJ-WMZOPIPTSA-N 1 0 302.462 3.270 20 10 DGCDRO CN(C)c1ccc(CNC[C@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000841033166 630398907 /nfs/dbraw/zinc/39/89/07/630398907.db2.gz NZQAYIFWXNFMIX-CYBMUJFWSA-N 1 0 315.383 3.003 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000841035768 630400075 /nfs/dbraw/zinc/40/00/75/630400075.db2.gz INEGZHFBBWHDJY-UHFFFAOYSA-N 1 0 314.429 3.399 20 10 DGCDRO CCCOc1cc(C[NH2+]CCc2ccc(N)cc2)ccc1OC ZINC000841035890 630400086 /nfs/dbraw/zinc/40/00/86/630400086.db2.gz KHUCPPBPCBOCSN-UHFFFAOYSA-N 1 0 314.429 3.399 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000841041441 630400705 /nfs/dbraw/zinc/40/07/05/630400705.db2.gz CGDVKHRNEWEMKN-KRWDZBQOSA-N 1 0 303.837 3.196 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]CC(C)(C)c2ccccc2)cc1 ZINC000841044971 630401099 /nfs/dbraw/zinc/40/10/99/630401099.db2.gz HCAZYGAUFCDAIL-LJQANCHMSA-N 1 0 311.473 3.320 20 10 DGCDRO C[C@@H](Cc1ccsc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044742 630401174 /nfs/dbraw/zinc/40/11/74/630401174.db2.gz FKMSMFDWWMHEBS-GUYCJALGSA-N 1 0 303.475 3.035 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000841042834 630401186 /nfs/dbraw/zinc/40/11/86/630401186.db2.gz LOWIBFWZHJKERU-IBGZPJMESA-N 1 0 320.440 3.090 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C/C=C/c2ccc(F)cc2)cc1 ZINC000841046053 630401881 /nfs/dbraw/zinc/40/18/81/630401881.db2.gz VJYDAJFRUILBEW-GNAXCBTBSA-N 1 0 313.420 3.195 20 10 DGCDRO COc1cccc(CN2C[C@H](C)[NH2+]Cc3ccc(F)cc32)c1O ZINC000841046695 630401957 /nfs/dbraw/zinc/40/19/57/630401957.db2.gz DPCDSOWRLJFGGX-LBPRGKRZSA-N 1 0 316.376 3.038 20 10 DGCDRO CN(C)c1ccc(CN[C@@H]2CCCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000841089682 630406624 /nfs/dbraw/zinc/40/66/24/630406624.db2.gz JSEMDQDGOVVVKE-CYBMUJFWSA-N 1 0 315.383 3.003 20 10 DGCDRO [NH3+][C@H]1Cc2ccccc2N(Cc2cc(Cl)cc(F)c2O)C1 ZINC000841106767 630408586 /nfs/dbraw/zinc/40/85/86/630408586.db2.gz PJKOXLZJLNLQNF-ZDUSSCGKSA-N 1 0 306.768 3.075 20 10 DGCDRO Nc1ccc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000841299735 630425019 /nfs/dbraw/zinc/42/50/19/630425019.db2.gz JFQXRJCAIWDVPG-UHFFFAOYSA-N 1 0 316.449 3.187 20 10 DGCDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N)cc1)CC(C)C ZINC000841302205 630425356 /nfs/dbraw/zinc/42/53/56/630425356.db2.gz OXAWHXLCMHWCLI-MRXNPFEDSA-N 1 0 306.454 3.147 20 10 DGCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc(N)cc2)C1 ZINC000841302081 630425653 /nfs/dbraw/zinc/42/56/53/630425653.db2.gz LCUSNDOIHXRPQF-GASCZTMLSA-N 1 0 318.465 3.148 20 10 DGCDRO C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1ccc(N(C)C)cc1 ZINC000841322001 630428413 /nfs/dbraw/zinc/42/84/13/630428413.db2.gz FQFMOLSWYQWFMX-ZDUSSCGKSA-N 1 0 312.417 3.094 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(Cl)cc1O ZINC000841756225 630462197 /nfs/dbraw/zinc/46/21/97/630462197.db2.gz WCILOQGULPEAJA-ABAIWWIYSA-N 1 0 314.882 3.134 20 10 DGCDRO CCn1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1=O ZINC000841753104 630462235 /nfs/dbraw/zinc/46/22/35/630462235.db2.gz SGBPPNYBIYPSOQ-NSHDSACASA-N 1 0 306.793 3.078 20 10 DGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)CC(C)C ZINC000841756123 630462280 /nfs/dbraw/zinc/46/22/80/630462280.db2.gz RBEOLLGQIJOGTL-VQIMIIECSA-N 1 0 320.477 3.235 20 10 DGCDRO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(Cl)cc1O ZINC000841752825 630462437 /nfs/dbraw/zinc/46/24/37/630462437.db2.gz CKIVUSQEQAVYJQ-LLVKDONJSA-N 1 0 305.809 3.357 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841764910 630463400 /nfs/dbraw/zinc/46/34/00/630463400.db2.gz TUMPNTDOZSOLEH-APPDUMDISA-N 1 0 321.804 3.438 20 10 DGCDRO CC[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(C)cc1O ZINC000841761533 630463412 /nfs/dbraw/zinc/46/34/12/630463412.db2.gz GGHAYOTWDZXQMR-MRXNPFEDSA-N 1 0 321.461 3.309 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(N(C)C)cc1 ZINC000841771613 630463817 /nfs/dbraw/zinc/46/38/17/630463817.db2.gz ZWXOSPWMFZDJGI-HOCLYGCPSA-N 1 0 311.420 3.133 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O ZINC000841765677 630463840 /nfs/dbraw/zinc/46/38/40/630463840.db2.gz UXQSCQWHNJHJNM-YPMHNXCESA-N 1 0 318.795 3.426 20 10 DGCDRO CCn1nncc1C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC000841853402 630471398 /nfs/dbraw/zinc/47/13/98/630471398.db2.gz AHTXQFGYYZJRRU-UHFFFAOYSA-N 1 0 323.444 3.038 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](CC(C)C)OC)c1O ZINC000841887959 630472924 /nfs/dbraw/zinc/47/29/24/630472924.db2.gz AYVYQAVHGRORIU-ZDUSSCGKSA-N 1 0 301.814 3.205 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)CCC2 ZINC000842612832 630553594 /nfs/dbraw/zinc/55/35/94/630553594.db2.gz OVULVKMNZXYWKX-FUHWJXTLSA-N 1 0 301.430 3.272 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1O ZINC000842636324 630556909 /nfs/dbraw/zinc/55/69/09/630556909.db2.gz AQGYDVKCYMIMAZ-CQSZACIVSA-N 1 0 305.418 3.100 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842720267 630567889 /nfs/dbraw/zinc/56/78/89/630567889.db2.gz DWOATKJVLPAHOY-KRWDZBQOSA-N 1 0 317.477 3.022 20 10 DGCDRO c1ccc2c(c1)O[C@@H](C[NH2+]Cc1ccc3c(c1)CCO3)CS2 ZINC000842726587 630568095 /nfs/dbraw/zinc/56/80/95/630568095.db2.gz JYUZRTQWGZRLSQ-HNNXBMFYSA-N 1 0 313.422 3.264 20 10 DGCDRO COc1cccc(C[NH2+]C[C@H]2CSc3ccccc3O2)c1O ZINC000842726632 630568217 /nfs/dbraw/zinc/56/82/17/630568217.db2.gz KYEKYFNKODBZIM-ZDUSSCGKSA-N 1 0 317.410 3.044 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](CCO)c2ccccc2F)cc1F ZINC000842762039 630572675 /nfs/dbraw/zinc/57/26/75/630572675.db2.gz AGOZFIYTFYUZRN-KRWDZBQOSA-N 1 0 320.383 3.244 20 10 DGCDRO OCC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1F ZINC000842762598 630573535 /nfs/dbraw/zinc/57/35/35/630573535.db2.gz HWXBPQXAGNOBCE-OAHLLOKOSA-N 1 0 309.768 3.398 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000842780035 630575102 /nfs/dbraw/zinc/57/51/02/630575102.db2.gz WNWHLPKBIXDRAK-YQQAZPJKSA-N 1 0 300.446 3.442 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O ZINC000842885373 630589636 /nfs/dbraw/zinc/58/96/36/630589636.db2.gz ONBGYXGQQOQXRO-KBPBESRZSA-N 1 0 324.852 3.486 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842887586 630589651 /nfs/dbraw/zinc/58/96/51/630589651.db2.gz ZNZPSZVUQUXOHE-SMDDNHRTSA-N 1 0 324.852 3.404 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)c2ccccc2F)c1 ZINC000842922805 630593664 /nfs/dbraw/zinc/59/36/64/630593664.db2.gz DTEDZQMNRIIDEX-YVEFUNNKSA-N 1 0 319.376 3.314 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000842929688 630594947 /nfs/dbraw/zinc/59/49/47/630594947.db2.gz RATPUXZZPKSVER-RDBSUJKOSA-N 1 0 324.852 3.005 20 10 DGCDRO CCOc1ccc(CN2CCCc3cc(C[NH3+])ccc32)c(O)c1 ZINC000843057781 630609541 /nfs/dbraw/zinc/60/95/41/630609541.db2.gz UYBZNPHEVVDYOC-UHFFFAOYSA-N 1 0 312.413 3.202 20 10 DGCDRO COc1cc(CN2CCCc3cc(C[NH3+])ccc32)cc(OC)c1 ZINC000843057777 630609651 /nfs/dbraw/zinc/60/96/51/630609651.db2.gz UTPQYWCIBONYDZ-UHFFFAOYSA-N 1 0 312.413 3.115 20 10 DGCDRO Oc1c(F)cccc1CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000843119248 630615586 /nfs/dbraw/zinc/61/55/86/630615586.db2.gz SGWFVHPJWAOQHH-INIZCTEOSA-N 1 0 320.795 3.331 20 10 DGCDRO CN(C)c1ccc(CN(C)C2(C[NH3+])CCC2)c(C(F)(F)F)c1 ZINC000843124755 630616373 /nfs/dbraw/zinc/61/63/73/630616373.db2.gz GCHWJXJNRYIUSM-UHFFFAOYSA-N 1 0 315.383 3.085 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126300 630616440 /nfs/dbraw/zinc/61/64/40/630616440.db2.gz ICKNULNJBMIEQK-ZIAGYGMSSA-N 1 0 308.853 3.257 20 10 DGCDRO CCCC[C@H](CC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299835 630643602 /nfs/dbraw/zinc/64/36/02/630643602.db2.gz XGBHRFMGYAOBLP-YOEHRIQHSA-N 1 0 305.466 3.085 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)C[C@H]1C(=O)OC(C)(C)C ZINC000843414535 630653743 /nfs/dbraw/zinc/65/37/43/630653743.db2.gz HXFCHFJBMMHOAT-DZGCQCFKSA-N 1 0 305.418 3.192 20 10 DGCDRO C[N@H+](Cc1cc(Cl)ccc1O)C[C@]1(O)CCc2ccccc21 ZINC000843422499 630656231 /nfs/dbraw/zinc/65/62/31/630656231.db2.gz WPOXBHNLYFPELT-GOSISDBHSA-N 1 0 317.816 3.311 20 10 DGCDRO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000843428733 630657406 /nfs/dbraw/zinc/65/74/06/630657406.db2.gz MXJASGFWRMNDFT-UHFFFAOYSA-N 1 0 323.408 3.475 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CCO)c1ccccc1F ZINC000843430490 630657657 /nfs/dbraw/zinc/65/76/57/630657657.db2.gz XQSSTAWBYOUMJH-LJQANCHMSA-N 1 0 316.420 3.413 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCS[C@@H]2C)c1O ZINC000843435196 630659072 /nfs/dbraw/zinc/65/90/72/630659072.db2.gz RBFWGAAXZDVSPV-BXKDBHETSA-N 1 0 316.264 3.447 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc(C)s2)cc1 ZINC000844399061 630724633 /nfs/dbraw/zinc/72/46/33/630724633.db2.gz FIZCGEDMTMXFBZ-UHFFFAOYSA-N 1 0 305.447 3.028 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000844441334 630730188 /nfs/dbraw/zinc/73/01/88/630730188.db2.gz XHISYANSUHWNQF-HNNXBMFYSA-N 1 0 313.319 3.355 20 10 DGCDRO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000844723320 630807091 /nfs/dbraw/zinc/80/70/91/630807091.db2.gz SRRPAKCIIBFWKR-CQSZACIVSA-N 1 0 300.402 3.330 20 10 DGCDRO COc1cc(OC)c(C[N@H+](C)Cc2ccccc2O)cc1F ZINC000845907632 631201921 /nfs/dbraw/zinc/20/19/21/631201921.db2.gz ZAKRTILWXWYYCY-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2ccn(C(C)C)n2)c1 ZINC000845973094 631204446 /nfs/dbraw/zinc/20/44/46/631204446.db2.gz XAYNPNWYUCMRFI-UONOGXRCSA-N 1 0 317.433 3.460 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846019161 631206292 /nfs/dbraw/zinc/20/62/92/631206292.db2.gz XWZHYEMRYDFNSU-PXAZEXFGSA-N 1 0 319.376 3.142 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)cc1C ZINC000846017017 631206440 /nfs/dbraw/zinc/20/64/40/631206440.db2.gz LDJNKGBKRSUKEJ-SCLBCKFNSA-N 1 0 303.377 3.354 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c(O)c1 ZINC000846039245 631207530 /nfs/dbraw/zinc/20/75/30/631207530.db2.gz PZRPHYZVIJPBKZ-KUHUBIRLSA-N 1 0 315.413 3.177 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)c1 ZINC000846043290 631207877 /nfs/dbraw/zinc/20/78/77/631207877.db2.gz WRTWBSPVSGCKPS-XIKOKIGWSA-N 1 0 305.418 3.257 20 10 DGCDRO CC[C@H]1C[C@H](C[N@H+](C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000846051290 631208451 /nfs/dbraw/zinc/20/84/51/631208451.db2.gz FGAGJWARPXPFMS-AEFFLSMTSA-N 1 0 320.477 3.268 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccccc1O ZINC000846123675 631211005 /nfs/dbraw/zinc/21/10/05/631211005.db2.gz UDCFAJPLLQQNJE-HZPDHXFCSA-N 1 0 312.413 3.209 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)c1O ZINC000846135121 631211343 /nfs/dbraw/zinc/21/13/43/631211343.db2.gz BJKMDNGNDKUQPH-PBHICJAKSA-N 1 0 314.429 3.354 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c(OC)c1 ZINC000846142219 631211589 /nfs/dbraw/zinc/21/15/89/631211589.db2.gz XRUDYXHURDWPLY-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c1O ZINC000846142794 631211597 /nfs/dbraw/zinc/21/15/97/631211597.db2.gz CKMPCGJIFYHTHX-JKDFXYPNSA-N 1 0 319.376 3.313 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c(OC)c1 ZINC000846142120 631211693 /nfs/dbraw/zinc/21/16/93/631211693.db2.gz XRUDYXHURDWPLY-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3C2)c1O ZINC000846143492 631211790 /nfs/dbraw/zinc/21/17/90/631211790.db2.gz JBAVFOADPWQJKB-ZIAGYGMSSA-N 1 0 313.397 3.303 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1O ZINC000846144246 631211811 /nfs/dbraw/zinc/21/18/11/631211811.db2.gz GQICSAIUGPXRQG-GFCCVEGCSA-N 1 0 316.357 3.202 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1O ZINC000846143617 631211948 /nfs/dbraw/zinc/21/19/48/631211948.db2.gz JWOGBGDGYNTWBL-QXSJWSMHSA-N 1 0 320.477 3.418 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCN2[C@H](C)CCC[C@@H]2C)c1O ZINC000846147248 631211982 /nfs/dbraw/zinc/21/19/82/631211982.db2.gz UXVCLEOQQLZAPD-QLFBSQMISA-N 1 0 306.450 3.314 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)c1O ZINC000846145559 631211983 /nfs/dbraw/zinc/21/19/83/631211983.db2.gz OQEZESXCEJNZLG-CZUORRHYSA-N 1 0 301.386 3.175 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCOc2cccc(F)c2)c1O ZINC000846148072 631212096 /nfs/dbraw/zinc/21/20/96/631212096.db2.gz ZHKSVOWZYWCTLA-LBPRGKRZSA-N 1 0 305.349 3.270 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846169325 631213166 /nfs/dbraw/zinc/21/31/66/631213166.db2.gz GVBVYNFMRPNJKT-QWRGUYRKSA-N 1 0 321.339 3.409 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(F)cnc2Cl)c1O ZINC000846168707 631213267 /nfs/dbraw/zinc/21/32/67/631213267.db2.gz CTEHIQOZGTUTNW-VIFPVBQESA-N 1 0 310.756 3.439 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)CC2CCCCC2)c1O ZINC000846171159 631213647 /nfs/dbraw/zinc/21/36/47/631213647.db2.gz DUPIAPXUEUZNBC-UKRRQHHQSA-N 1 0 307.434 3.383 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)c(O)c1 ZINC000846181512 631213809 /nfs/dbraw/zinc/21/38/09/631213809.db2.gz ZQSDDEJNTJIBNP-QRWLVFNGSA-N 1 0 311.425 3.228 20 10 DGCDRO COc1ccc(N(C)Cc2ccc3c(c2)C[NH2+]CC3)cc1F ZINC000846219052 631215549 /nfs/dbraw/zinc/21/55/49/631215549.db2.gz DTLOOMDBPFULLB-UHFFFAOYSA-N 1 0 300.377 3.116 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1CC1CCCC1)[C@@H](O)CO2 ZINC000848505353 631671076 /nfs/dbraw/zinc/67/10/76/631671076.db2.gz IWISAMYOHHWDMJ-YJBOKZPZSA-N 1 0 317.429 3.363 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1cncnc1C ZINC000848552961 631689877 /nfs/dbraw/zinc/68/98/77/631689877.db2.gz GTBAUIXLNMPTOR-ZBFHGGJFSA-N 1 0 312.461 3.441 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1C ZINC000848557029 631691648 /nfs/dbraw/zinc/69/16/48/631691648.db2.gz DXGPFXIWGBCCQJ-PNBKFKSVSA-N 1 0 320.477 3.157 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1C ZINC000848556981 631691817 /nfs/dbraw/zinc/69/18/17/631691817.db2.gz DXGPFXIWGBCCQJ-AIANPOQGSA-N 1 0 320.477 3.157 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000848558903 631692193 /nfs/dbraw/zinc/69/21/93/631692193.db2.gz PPBRQOITBNMPOL-UYHISHBKSA-N 1 0 305.418 3.399 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc(C)c2OC)c1 ZINC000848565082 631694981 /nfs/dbraw/zinc/69/49/81/631694981.db2.gz SHPLTXOOTMKCGH-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848575881 631701673 /nfs/dbraw/zinc/70/16/73/631701673.db2.gz XMVZTKJLJUCHBS-VQTJNVASSA-N 1 0 313.489 3.393 20 10 DGCDRO CCc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000848880419 631767881 /nfs/dbraw/zinc/76/78/81/631767881.db2.gz DATUHUPIYWWRSU-UHFFFAOYSA-N 1 0 300.358 3.495 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1O ZINC000848882807 631768936 /nfs/dbraw/zinc/76/89/36/631768936.db2.gz BTQCEJDHUMAFDW-GOSISDBHSA-N 1 0 319.445 3.115 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2cnn(-c3ccccc3)c2)c1O ZINC000848892767 631775941 /nfs/dbraw/zinc/77/59/41/631775941.db2.gz GNEDLRXSUROGND-UHFFFAOYSA-N 1 0 321.424 3.473 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2COc3c(cccc3OC)C2)c1O ZINC000848895252 631776639 /nfs/dbraw/zinc/77/66/39/631776639.db2.gz KVOJNDRUKMEUAZ-MRXNPFEDSA-N 1 0 313.397 3.057 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000848895519 631776676 /nfs/dbraw/zinc/77/66/76/631776676.db2.gz VYUMBFWJESZKBI-HNNXBMFYSA-N 1 0 317.404 3.035 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](O)c2ccccc2Cl)c1O ZINC000848896493 631777917 /nfs/dbraw/zinc/77/79/17/631777917.db2.gz BONRGKDWZYWFFL-INIZCTEOSA-N 1 0 305.805 3.431 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1O ZINC000848898608 631778343 /nfs/dbraw/zinc/77/83/43/631778343.db2.gz FLDRIXRGRKSTJO-JQHSSLGASA-N 1 0 301.430 3.392 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)c1O ZINC000848898967 631778822 /nfs/dbraw/zinc/77/88/22/631778822.db2.gz BFYGLBVEYFASSA-HNNXBMFYSA-N 1 0 304.459 3.409 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000848901462 631780128 /nfs/dbraw/zinc/78/01/28/631780128.db2.gz SQBWVVFDTQBQFI-VGOFRKELSA-N 1 0 317.454 3.164 20 10 DGCDRO CCc1cccc(C[NH2+]C2(C(=O)Nc3ccccc3)CC2)c1O ZINC000848903799 631780744 /nfs/dbraw/zinc/78/07/44/631780744.db2.gz DQXMSVQZOUSUBC-UHFFFAOYSA-N 1 0 310.397 3.216 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1O ZINC000848910098 631783307 /nfs/dbraw/zinc/78/33/07/631783307.db2.gz FKYMPMWOOZKUHD-QFIPXVFZSA-N 1 0 317.454 3.123 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1O ZINC000848925072 631790150 /nfs/dbraw/zinc/79/01/50/631790150.db2.gz MHOAIKPGULKCAE-INIZCTEOSA-N 1 0 305.418 3.324 20 10 DGCDRO Cc1ccc(CNC(=[NH2+])NCc2ccc3c(c2)CCCN3C)cc1 ZINC000849066744 631825113 /nfs/dbraw/zinc/82/51/13/631825113.db2.gz PLJHAOZVINJFBH-UHFFFAOYSA-N 1 0 322.456 3.192 20 10 DGCDRO COc1cc(C[NH2+]CCc2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000850024244 632031211 /nfs/dbraw/zinc/03/12/11/632031211.db2.gz BNEPJWUPUJTPMQ-UHFFFAOYSA-N 1 0 314.429 3.426 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc3n2CCC3)cc1F ZINC000850128823 632061867 /nfs/dbraw/zinc/06/18/67/632061867.db2.gz KNHQEBGVPYYMGE-UHFFFAOYSA-N 1 0 316.424 3.104 20 10 DGCDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850134336 632062925 /nfs/dbraw/zinc/06/29/25/632062925.db2.gz WMOWMVIIHKZRFR-WBMJQRKESA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+]CC2(OC)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850240376 632090726 /nfs/dbraw/zinc/09/07/26/632090726.db2.gz PZTHHLXLJJKIEK-UHFFFAOYSA-N 1 0 307.434 3.357 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CCO)c(O)c(C(C)(C)C)c1 ZINC000850252821 632094780 /nfs/dbraw/zinc/09/47/80/632094780.db2.gz HLVUILHFRNVWKC-GUYCJALGSA-N 1 0 321.461 3.339 20 10 DGCDRO COc1cc(C[NH2+]CCOC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850271561 632099860 /nfs/dbraw/zinc/09/98/60/632099860.db2.gz CLUVLPCFMDGQBF-UHFFFAOYSA-N 1 0 321.339 3.324 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H](OC)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850311704 632111319 /nfs/dbraw/zinc/11/13/19/632111319.db2.gz ZBTQYUFTQJRVQP-MRXNPFEDSA-N 1 0 307.434 3.213 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCOC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000850314423 632111640 /nfs/dbraw/zinc/11/16/40/632111640.db2.gz TTZUBAQKJKEZKW-OAHLLOKOSA-N 1 0 307.434 3.355 20 10 DGCDRO COc1cc(C[NH2+]CCC2(CO)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850340397 632118124 /nfs/dbraw/zinc/11/81/24/632118124.db2.gz ZWPUFUMSZLNJLO-UHFFFAOYSA-N 1 0 321.461 3.341 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccnc3Cl)C2)cc1 ZINC000850345629 632119790 /nfs/dbraw/zinc/11/97/90/632119790.db2.gz GMDFMAMPJLSKLB-CQSZACIVSA-N 1 0 317.820 3.112 20 10 DGCDRO CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000850347328 632120793 /nfs/dbraw/zinc/12/07/93/632120793.db2.gz QILLTNOCTFANHT-LZLYRXPVSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H](C)SC3)C2)cc1 ZINC000850347665 632121094 /nfs/dbraw/zinc/12/10/94/632121094.db2.gz VOVMADMBHFQTHF-QLFBSQMISA-N 1 0 306.475 3.148 20 10 DGCDRO CN(C)c1ccc(/C=C/CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000850351008 632121682 /nfs/dbraw/zinc/12/16/82/632121682.db2.gz JTCQYCFTRKUNFB-DKRLNXSXSA-N 1 0 301.478 3.228 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2c(OC)cccc2OC)c(O)c1 ZINC000850355902 632123908 /nfs/dbraw/zinc/12/39/08/632123908.db2.gz MSJRBSUMNDBCAM-UHFFFAOYSA-N 1 0 317.385 3.098 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(OC)c1 ZINC000850361844 632125677 /nfs/dbraw/zinc/12/56/77/632125677.db2.gz FUIGKOYJTPDQTC-GOSISDBHSA-N 1 0 313.397 3.107 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1cccc(OC)c1 ZINC000850362397 632126131 /nfs/dbraw/zinc/12/61/31/632126131.db2.gz MYYOIWRVDICGKB-SFHVURJKSA-N 1 0 315.413 3.490 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1F ZINC000850368126 632128228 /nfs/dbraw/zinc/12/82/28/632128228.db2.gz UVCPRGGFMNBGSP-HNNXBMFYSA-N 1 0 306.425 3.473 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1F ZINC000850372651 632130180 /nfs/dbraw/zinc/13/01/80/632130180.db2.gz XBUJPBXSRKYKAE-WMZOPIPTSA-N 1 0 300.377 3.160 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C1CC1 ZINC000850382344 632133861 /nfs/dbraw/zinc/13/38/61/632133861.db2.gz SGIHSRZVCUKVDD-GFCCVEGCSA-N 1 0 314.223 3.442 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c1O ZINC000850382286 632134063 /nfs/dbraw/zinc/13/40/63/632134063.db2.gz QPNRLZJMWVXMPU-OAHLLOKOSA-N 1 0 317.360 3.023 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)c1O ZINC000850395780 632138869 /nfs/dbraw/zinc/13/88/69/632138869.db2.gz YSLMYPRHNKKIAC-ROUUACIJSA-N 1 0 315.413 3.249 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(O)CCC(F)(F)CC2)c(Cl)c1 ZINC000850405559 632141626 /nfs/dbraw/zinc/14/16/26/632141626.db2.gz UCRNHROJYKKYBE-UHFFFAOYSA-N 1 0 319.779 3.384 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC1(C)C ZINC000850406461 632142114 /nfs/dbraw/zinc/14/21/14/632142114.db2.gz HFYNLTPYFPCXFK-RDTXWAMCSA-N 1 0 302.462 3.172 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1F ZINC000850409301 632143135 /nfs/dbraw/zinc/14/31/35/632143135.db2.gz QDRLVIQQKQHTOR-KFKAGJAMSA-N 1 0 314.379 3.459 20 10 DGCDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000850419486 632146582 /nfs/dbraw/zinc/14/65/82/632146582.db2.gz FTIIERRDEIXJNE-ACJLOTCBSA-N 1 0 302.393 3.103 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2ccccc2)[C@H](C)O)c1 ZINC000850420600 632147569 /nfs/dbraw/zinc/14/75/69/632147569.db2.gz PUCRBIPBKPZWFE-UGSOOPFHSA-N 1 0 301.386 3.003 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCSCC1)c1ccc(N2CCOCC2)cc1 ZINC000850427891 632149294 /nfs/dbraw/zinc/14/92/94/632149294.db2.gz GKEBPEDMQWNFAO-WBVHZDCISA-N 1 0 320.502 3.460 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000850474257 632163356 /nfs/dbraw/zinc/16/33/56/632163356.db2.gz KXZWEUQQHAUWSA-MAUKXSAKSA-N 1 0 300.446 3.444 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000850473988 632163833 /nfs/dbraw/zinc/16/38/33/632163833.db2.gz HAVHUXLAJMRTBV-JKSUJKDBSA-N 1 0 320.502 3.397 20 10 DGCDRO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000850485045 632167133 /nfs/dbraw/zinc/16/71/33/632167133.db2.gz WNNPEGSTMHMERP-AWEZNQCLSA-N 1 0 312.413 3.188 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)c1ccncc1 ZINC000850488867 632168127 /nfs/dbraw/zinc/16/81/27/632168127.db2.gz VKROJCFGKRFYNT-QFBILLFUSA-N 1 0 311.429 3.410 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CC3(OC)CCC3)C2)cc1 ZINC000850489912 632169066 /nfs/dbraw/zinc/16/90/66/632169066.db2.gz XXIAQRVYUOXIKQ-HZPDHXFCSA-N 1 0 318.461 3.211 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)C1CCOCC1 ZINC000850494670 632170703 /nfs/dbraw/zinc/17/07/03/632170703.db2.gz VYEUIFUKOYJGRN-PBHICJAKSA-N 1 0 307.434 3.101 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](COC)C1CCOCC1)c1ccc(C)cc1O ZINC000850494749 632170770 /nfs/dbraw/zinc/17/07/70/632170770.db2.gz XXXJSMFCZAMDEU-SJORKVTESA-N 1 0 307.434 3.183 20 10 DGCDRO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc2c(cc1O)CCCC2 ZINC000850520881 632178287 /nfs/dbraw/zinc/17/82/87/632178287.db2.gz HXRQIGCBCCQEEW-ZBEGNZNMSA-N 1 0 311.372 3.346 20 10 DGCDRO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc2c(cc1O)CCCC2 ZINC000850520880 632178393 /nfs/dbraw/zinc/17/83/93/632178393.db2.gz HXRQIGCBCCQEEW-MEDUHNTESA-N 1 0 311.372 3.346 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c(O)c1 ZINC000850532133 632183483 /nfs/dbraw/zinc/18/34/83/632183483.db2.gz JZXDWGYJKFABIW-XPKDYRNWSA-N 1 0 311.372 3.474 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3cc(F)ccc3C2)c(O)c1 ZINC000850536772 632186288 /nfs/dbraw/zinc/18/62/88/632186288.db2.gz JSUZMWGKBJRRGH-WFASDCNBSA-N 1 0 301.361 3.494 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2)c1 ZINC000850537886 632186367 /nfs/dbraw/zinc/18/63/67/632186367.db2.gz AVRUUCKBDNQMQE-GJZGRUSLSA-N 1 0 318.461 3.458 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C ZINC000850558713 632192707 /nfs/dbraw/zinc/19/27/07/632192707.db2.gz TXXRUSXEMGZFMP-GJZGRUSLSA-N 1 0 318.461 3.307 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850558877 632193940 /nfs/dbraw/zinc/19/39/40/632193940.db2.gz VAKMKBJBWVOOJM-CABCVRRESA-N 1 0 317.477 3.050 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c(O)c1 ZINC000850561032 632194599 /nfs/dbraw/zinc/19/45/99/632194599.db2.gz HMUCOPNKYJXVOA-HNAYVOBHSA-N 1 0 321.461 3.227 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000850565664 632195660 /nfs/dbraw/zinc/19/56/60/632195660.db2.gz HEVXHHUPQBTFHM-HNNXBMFYSA-N 1 0 314.429 3.400 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccoc1 ZINC000850566398 632196455 /nfs/dbraw/zinc/19/64/55/632196455.db2.gz NEAOOJWCPKNDDC-CQSZACIVSA-N 1 0 300.402 3.092 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)CC1 ZINC000850568375 632196512 /nfs/dbraw/zinc/19/65/12/632196512.db2.gz WNDGRQKPUNUQMP-HXUWFJFHSA-N 1 0 314.473 3.316 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(Br)cc1O ZINC000850572461 632198058 /nfs/dbraw/zinc/19/80/58/632198058.db2.gz KFZZCHFKEOTSRI-ZJUUUORDSA-N 1 0 324.222 3.300 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)CC2 ZINC000850580066 632201186 /nfs/dbraw/zinc/20/11/86/632201186.db2.gz GJLUTNQETMGJNZ-UKRRQHHQSA-N 1 0 323.314 3.120 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c1 ZINC000850582291 632202279 /nfs/dbraw/zinc/20/22/79/632202279.db2.gz DBLRGQDUXNTFLX-VEVIJQCQSA-N 1 0 301.386 3.174 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1O ZINC000850585479 632203399 /nfs/dbraw/zinc/20/33/99/632203399.db2.gz YPJLPYVBZVWWOZ-AHIWAGSCSA-N 1 0 301.386 3.174 20 10 DGCDRO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1ccccc1O ZINC000109769924 632316767 /nfs/dbraw/zinc/31/67/67/632316767.db2.gz VPLOLSZHPKPFPL-LLVKDONJSA-N 1 0 320.339 3.129 20 10 DGCDRO CC1(C)OC[C@H](C[N@H+](Cc2ccccc2O)C2CCCC2)O1 ZINC000851771618 632489060 /nfs/dbraw/zinc/48/90/60/632489060.db2.gz KJGXLNLSNBPEHX-INIZCTEOSA-N 1 0 305.418 3.288 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000851897068 632516815 /nfs/dbraw/zinc/51/68/15/632516815.db2.gz OCRDBJLZQMCGFM-XYVMCAHJSA-N 1 0 300.446 3.220 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](OC)[C@@H]1CCOC1 ZINC000852017970 632540344 /nfs/dbraw/zinc/54/03/44/632540344.db2.gz IGAGRPNJRWPKLW-AEFFLSMTSA-N 1 0 307.434 3.046 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000852521947 632617287 /nfs/dbraw/zinc/61/72/87/632617287.db2.gz CRAIHORIFMUVRC-PZJWPPBQSA-N 1 0 324.468 3.351 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000184789103 660186339 /nfs/dbraw/zinc/18/63/39/660186339.db2.gz YLTAHMAMOOHOTE-IBGZPJMESA-N 1 0 311.425 3.474 20 10 DGCDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185530425 660227310 /nfs/dbraw/zinc/22/73/10/660227310.db2.gz HYHNYFONJJPOPT-GXTWGEPZSA-N 1 0 305.443 3.310 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1O ZINC000186397608 660381788 /nfs/dbraw/zinc/38/17/88/660381788.db2.gz DIYXDWXXJITXSD-IAGOWNOFSA-N 1 0 323.408 3.417 20 10 DGCDRO CCSCCC[NH2+]Cc1c(O)cccc1Br ZINC000706880632 660386336 /nfs/dbraw/zinc/38/63/36/660386336.db2.gz ATUFYWYXQMKELT-UHFFFAOYSA-N 1 0 304.253 3.388 20 10 DGCDRO C/C=C(\C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998880476 660400952 /nfs/dbraw/zinc/40/09/52/660400952.db2.gz IBLIMPBJNMTIHV-ANQFXYINSA-N 1 0 316.445 3.050 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)[C@H](C)C1 ZINC000701177179 660659363 /nfs/dbraw/zinc/65/93/63/660659363.db2.gz WVAPNVQTXUFZAE-MFKMUULPSA-N 1 0 314.223 3.154 20 10 DGCDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000706406940 660856814 /nfs/dbraw/zinc/85/68/14/660856814.db2.gz MAWLXPNVZJBCFV-STQMWFEESA-N 1 0 308.422 3.298 20 10 DGCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)[C@H]1CCCOC1 ZINC000706808396 660873371 /nfs/dbraw/zinc/87/33/71/660873371.db2.gz LVEZIJANXVGAMG-MNOVXSKESA-N 1 0 314.223 3.059 20 10 DGCDRO C[C@@H](Cc1ccco1)[NH2+]Cc1c(O)cccc1Br ZINC000706804616 660873379 /nfs/dbraw/zinc/87/33/79/660873379.db2.gz MFKJORUYVGSRCY-JTQLQIEISA-N 1 0 310.191 3.469 20 10 DGCDRO CC(C)OCCC[NH2+]Cc1c(O)cccc1Br ZINC000706871530 660875700 /nfs/dbraw/zinc/87/57/00/660875700.db2.gz CZBBYLMELOLKSQ-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Br)CCCO1 ZINC000707145853 660888150 /nfs/dbraw/zinc/88/81/50/660888150.db2.gz JDULKPIINYLFKL-UHFFFAOYSA-N 1 0 314.223 3.156 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](CF)C2)c1O ZINC000711501393 660955557 /nfs/dbraw/zinc/95/55/57/660955557.db2.gz DXMNGIIDMWRPKD-JTQLQIEISA-N 1 0 302.187 3.255 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCOC2)c(C(F)(F)F)c1 ZINC000792984956 660998447 /nfs/dbraw/zinc/99/84/47/660998447.db2.gz LTDKYRYUTNMVHT-OAHLLOKOSA-N 1 0 316.367 3.288 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c(C(F)(F)F)c1 ZINC000793095090 661004812 /nfs/dbraw/zinc/00/48/12/661004812.db2.gz YJHHJBVLCKBTGO-KBPBESRZSA-N 1 0 316.367 3.020 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1F ZINC000793320382 661023994 /nfs/dbraw/zinc/02/39/94/661023994.db2.gz CMLYAXHVXLRABU-MRXNPFEDSA-N 1 0 308.441 3.313 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C\c2ccc(F)cc2F)c(O)c1 ZINC000793387187 661029133 /nfs/dbraw/zinc/02/91/33/661029133.db2.gz AMLAFUMRDQVAHC-IHWYPQMZSA-N 1 0 305.324 3.482 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)c(O)c1 ZINC000793388588 661029357 /nfs/dbraw/zinc/02/93/57/661029357.db2.gz GGJZIEUMWUTGKV-UHFFFAOYSA-N 1 0 323.396 3.389 20 10 DGCDRO C[C@@]12CC[N@H+](Cc3c(O)ccc4ccncc43)C[C@@H]1C2(F)F ZINC000793535504 661042877 /nfs/dbraw/zinc/04/28/77/661042877.db2.gz XDUOLLOKUIPUQS-JKSUJKDBSA-N 1 0 304.340 3.418 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cnc3n2CCCC3)c2c1c(F)ccc2O ZINC000793566233 661046243 /nfs/dbraw/zinc/04/62/43/661046243.db2.gz SPQDRZPCXPHACJ-BXUZGUMPSA-N 1 0 315.392 3.402 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)cc1C ZINC000793598691 661048516 /nfs/dbraw/zinc/04/85/16/661048516.db2.gz ADALYMHPXLQDGH-CQSZACIVSA-N 1 0 322.449 3.402 20 10 DGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000794650145 661096150 /nfs/dbraw/zinc/09/61/50/661096150.db2.gz OUGYMXGHRWYINP-SFHVURJKSA-N 1 0 307.434 3.396 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)cc1C ZINC000794650780 661096178 /nfs/dbraw/zinc/09/61/78/661096178.db2.gz MSGCFZXDAVAFDS-ZYHUDNBSSA-N 1 0 303.324 3.482 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C2CC2)O1 ZINC000794652133 661096235 /nfs/dbraw/zinc/09/62/35/661096235.db2.gz IEPWUUZXDXWZRQ-PXAZEXFGSA-N 1 0 319.445 3.395 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1 ZINC000794793957 661105729 /nfs/dbraw/zinc/10/57/29/661105729.db2.gz CUMZSVCPGHEDTO-SFHVURJKSA-N 1 0 312.461 3.434 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1ccc(C)cc1O ZINC000794795401 661105784 /nfs/dbraw/zinc/10/57/84/661105784.db2.gz SYZUJUUJCJJKDM-QZTJIDSGSA-N 1 0 320.477 3.098 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000794793954 661105833 /nfs/dbraw/zinc/10/58/33/661105833.db2.gz CUMZSVCPGHEDTO-GOSISDBHSA-N 1 0 312.461 3.434 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(C)cc1O ZINC000794815724 661106968 /nfs/dbraw/zinc/10/69/68/661106968.db2.gz LDKMQLQDFWQSMV-RDJZCZTQSA-N 1 0 319.445 3.470 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cc(Cl)ccc1O ZINC000794834334 661108196 /nfs/dbraw/zinc/10/81/96/661108196.db2.gz MVACMOMYRXPQNQ-XJKSGUPXSA-N 1 0 324.852 3.345 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cc2c(cc1O)CCCC2 ZINC000794832873 661108261 /nfs/dbraw/zinc/10/82/61/661108261.db2.gz IDGOOOXNFXXDBU-CXAGYDPISA-N 1 0 303.446 3.473 20 10 DGCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)C(C)(C)OC)cc2)CC1 ZINC000932372743 655549769 /nfs/dbraw/zinc/54/97/69/655549769.db2.gz RZNDDUTWIYAEOZ-HNNXBMFYSA-N 1 0 320.477 3.205 20 10 DGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2O)C1(C)C ZINC000160284959 655586453 /nfs/dbraw/zinc/58/64/53/655586453.db2.gz MOEJHRSHFUTUID-IRXDYDNUSA-N 1 0 323.433 3.045 20 10 DGCDRO Nc1ccc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000071428885 655614245 /nfs/dbraw/zinc/61/42/45/655614245.db2.gz CQBZSHQYDKQEFX-UHFFFAOYSA-N 1 0 309.457 3.066 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000795671427 661166861 /nfs/dbraw/zinc/16/68/61/661166861.db2.gz VKKNRYLPNJUKSK-HNNXBMFYSA-N 1 0 301.390 3.160 20 10 DGCDRO COc1cc(C[N@H+](C)CCOCc2ccccc2)c(O)cc1C ZINC000160391516 655628905 /nfs/dbraw/zinc/62/89/05/655628905.db2.gz SDAZFPRQVYMWCO-UHFFFAOYSA-N 1 0 315.413 3.358 20 10 DGCDRO C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc2c(cc1O)CCC2 ZINC000795694246 661168441 /nfs/dbraw/zinc/16/84/41/661168441.db2.gz OSAAHCFVSUVOIY-ZUZCIYMTSA-N 1 0 315.335 3.033 20 10 DGCDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000160975779 655702483 /nfs/dbraw/zinc/70/24/83/655702483.db2.gz WWJBWSYFNLULIB-INIZCTEOSA-N 1 0 317.477 3.242 20 10 DGCDRO COc1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1O ZINC000317642638 655705623 /nfs/dbraw/zinc/70/56/23/655705623.db2.gz QNEUKZIOBCIGII-LSDHHAIUSA-N 1 0 324.852 3.161 20 10 DGCDRO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000795850649 661175890 /nfs/dbraw/zinc/17/58/90/661175890.db2.gz CBANYBKCKMZUKZ-BLLLJJGKSA-N 1 0 316.376 3.059 20 10 DGCDRO C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@H]1CCOC1 ZINC000176093842 655734002 /nfs/dbraw/zinc/73/40/02/655734002.db2.gz RDDNPKVCDYWHDA-CYBMUJFWSA-N 1 0 315.413 3.486 20 10 DGCDRO c1cc(CCC[NH2+]Cc2ccc3c(c2)CCO3)cc2c1OCC2 ZINC000795912256 661179061 /nfs/dbraw/zinc/17/90/61/661179061.db2.gz PZKNAPDBUPRKEA-UHFFFAOYSA-N 1 0 309.409 3.279 20 10 DGCDRO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccccc1O ZINC000714928396 661204951 /nfs/dbraw/zinc/20/49/51/661204951.db2.gz XYTPJWOQPWZULU-MRVPVSSYSA-N 1 0 313.220 3.462 20 10 DGCDRO CC[C@@H]([NH2+]CCCNc1ncccn1)c1ccc(N(C)C)cc1 ZINC000163936002 655971474 /nfs/dbraw/zinc/97/14/74/655971474.db2.gz GUKQDHOLJPYTEW-QGZVFWFLSA-N 1 0 313.449 3.086 20 10 DGCDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000328182206 656055727 /nfs/dbraw/zinc/05/57/27/656055727.db2.gz NPAOEOSPACUARE-APWZRJJASA-N 1 0 302.462 3.318 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccccc1O ZINC000183435519 656112618 /nfs/dbraw/zinc/11/26/18/656112618.db2.gz MIABNFOESBAMJB-OAHLLOKOSA-N 1 0 307.397 3.488 20 10 DGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)C(C)C)CC2)cc1C ZINC001026455386 656157661 /nfs/dbraw/zinc/15/76/61/656157661.db2.gz ZQWCBUURGPUQBB-UHFFFAOYSA-N 1 0 318.461 3.177 20 10 DGCDRO c1cc2c(cccc2C[NH2+]Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000236704481 656213990 /nfs/dbraw/zinc/21/39/90/656213990.db2.gz AQQMXFPMEXTMBL-UHFFFAOYSA-N 1 0 321.424 3.294 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C(C)C)cc1C ZINC001036950368 661265841 /nfs/dbraw/zinc/26/58/41/661265841.db2.gz UFVIHFCWWAGBRQ-IAGOWNOFSA-N 1 0 318.461 3.034 20 10 DGCDRO CCCC(=O)N1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC000980307258 656483867 /nfs/dbraw/zinc/48/38/67/656483867.db2.gz OGSMYVSAUWYJSE-WBVHZDCISA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000319751314 656653714 /nfs/dbraw/zinc/65/37/14/656653714.db2.gz UPTCBLVBCWTYEY-WMLDXEAASA-N 1 0 312.413 3.243 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092731433 656823694 /nfs/dbraw/zinc/82/36/94/656823694.db2.gz BEQKUQAFSSETGC-HOTGVXAUSA-N 1 0 318.461 3.217 20 10 DGCDRO CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001044422698 656921150 /nfs/dbraw/zinc/92/11/50/656921150.db2.gz TUSIWMKSYIDVGH-WBVHZDCISA-N 1 0 318.461 3.273 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2-n2cccn2)cc1 ZINC000237126954 657143428 /nfs/dbraw/zinc/14/34/28/657143428.db2.gz XSQNMRBAOHZCQJ-UHFFFAOYSA-N 1 0 306.413 3.228 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000319751312 657165140 /nfs/dbraw/zinc/16/51/40/657165140.db2.gz UPTCBLVBCWTYEY-RHSMWYFYSA-N 1 0 312.413 3.243 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1 ZINC000319981730 657304265 /nfs/dbraw/zinc/30/42/65/657304265.db2.gz JRGMCEMQTDUTHG-SUMWQHHRSA-N 1 0 317.433 3.363 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCCC[NH3+] ZINC000237217305 657385231 /nfs/dbraw/zinc/38/52/31/657385231.db2.gz OSZAYDSIIQPCGN-UHFFFAOYSA-N 1 0 317.477 3.154 20 10 DGCDRO C[C@H]([NH2+]CC1(CO)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000305117067 657682128 /nfs/dbraw/zinc/68/21/28/657682128.db2.gz FWFSAZHBFNZKSA-AWEZNQCLSA-N 1 0 306.425 3.239 20 10 DGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305138075 657685605 /nfs/dbraw/zinc/68/56/05/657685605.db2.gz PECSVNLIMCZPNM-KXBFYZLASA-N 1 0 320.477 3.051 20 10 DGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305138073 657685711 /nfs/dbraw/zinc/68/57/11/657685711.db2.gz PECSVNLIMCZPNM-DNVCBOLYSA-N 1 0 320.477 3.051 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)cc1C ZINC000237321578 657808522 /nfs/dbraw/zinc/80/85/22/657808522.db2.gz FFFPPXPESLJGLK-INIZCTEOSA-N 1 0 313.397 3.106 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(C)C)[C@H]2C)cc1C ZINC000985899166 657913660 /nfs/dbraw/zinc/91/36/60/657913660.db2.gz NONINSWWQGXWJZ-DOTOQJQBSA-N 1 0 318.461 3.129 20 10 DGCDRO C/C=C(/C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC000986131444 657993776 /nfs/dbraw/zinc/99/37/76/657993776.db2.gz DBTGGBXBCOKTKA-NWKGZZRFSA-N 1 0 316.445 3.049 20 10 DGCDRO CN(C)c1ccc(CN(C)C(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000322095543 658436392 /nfs/dbraw/zinc/43/63/92/658436392.db2.gz FZRQCKIMEIIZQV-UHFFFAOYSA-N 1 0 317.477 3.010 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3cccs3)CC2)cc1 ZINC000128301170 658732029 /nfs/dbraw/zinc/73/20/29/658732029.db2.gz MNSRWWPIZAZAAQ-UHFFFAOYSA-N 1 0 302.443 3.469 20 10 DGCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000042095076 658740990 /nfs/dbraw/zinc/74/09/90/658740990.db2.gz WCTHDDIFUIOTHS-UHFFFAOYSA-N 1 0 318.461 3.137 20 10 DGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164264806 658923244 /nfs/dbraw/zinc/92/32/44/658923244.db2.gz WMVWBKJDUWHRML-INIZCTEOSA-N 1 0 318.461 3.137 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000164601736 658938614 /nfs/dbraw/zinc/93/86/14/658938614.db2.gz RHIFCBHKJNVAFK-HIFRSBDPSA-N 1 0 321.461 3.434 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000166256778 659020657 /nfs/dbraw/zinc/02/06/57/659020657.db2.gz YCQVJQZHXWGCFM-YQQAZPJKSA-N 1 0 301.478 3.419 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000226647528 659133863 /nfs/dbraw/zinc/13/38/63/659133863.db2.gz PDPHHRNQTZSRSQ-UHFFFAOYSA-N 1 0 320.433 3.190 20 10 DGCDRO CC(C)CCOCC[NH2+]Cc1cc(Br)ccc1O ZINC000227441897 659154989 /nfs/dbraw/zinc/15/49/89/659154989.db2.gz JDHCOJFUCFYOFW-UHFFFAOYSA-N 1 0 316.239 3.307 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC000227687773 659161325 /nfs/dbraw/zinc/16/13/25/659161325.db2.gz LCCLELDPMWUDDA-CYBMUJFWSA-N 1 0 308.422 3.006 20 10 DGCDRO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)C(C)C ZINC000170929067 659248522 /nfs/dbraw/zinc/24/85/22/659248522.db2.gz JCCNVLSRSQCLGF-MRXNPFEDSA-N 1 0 319.493 3.077 20 10 DGCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173466609 659387231 /nfs/dbraw/zinc/38/72/31/659387231.db2.gz RILMSRNNTAAPBH-INIZCTEOSA-N 1 0 320.477 3.311 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)cc1C(C)C ZINC000174090841 659412699 /nfs/dbraw/zinc/41/26/99/659412699.db2.gz SQHUBUAGKPLPNL-SJORKVTESA-N 1 0 302.462 3.493 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1C ZINC000174400693 659431819 /nfs/dbraw/zinc/43/18/19/659431819.db2.gz CAIJOVWGCGGVIN-KRWDZBQOSA-N 1 0 324.424 3.184 20 10 DGCDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000179564136 659933734 /nfs/dbraw/zinc/93/37/34/659933734.db2.gz IIIZEJDNCIWXCU-OAHLLOKOSA-N 1 0 320.433 3.271 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2cc(F)ccc2O)cc1OC ZINC000179888660 659945631 /nfs/dbraw/zinc/94/56/31/659945631.db2.gz GZVWDSHUMBBJGI-UHFFFAOYSA-N 1 0 319.376 3.489 20 10 DGCDRO OCC[N@H+](Cc1cc(F)ccc1O)[C@H]1CCCc2ccccc21 ZINC000180153112 659953352 /nfs/dbraw/zinc/95/33/52/659953352.db2.gz MHLQTQGXNAQOIJ-SFHVURJKSA-N 1 0 315.388 3.403 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)c1 ZINC000181128411 659981782 /nfs/dbraw/zinc/98/17/82/659981782.db2.gz GVEMWFHTCJYXQF-UHFFFAOYSA-N 1 0 316.401 3.263 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000182220084 660038875 /nfs/dbraw/zinc/03/88/75/660038875.db2.gz FVFFDEYKDRJQIL-UHFFFAOYSA-N 1 0 304.415 3.416 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000182390155 660049452 /nfs/dbraw/zinc/04/94/52/660049452.db2.gz JTSLXMHBZAYVMD-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000182894878 660087459 /nfs/dbraw/zinc/08/74/59/660087459.db2.gz RLEIBRAQDQNPOS-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO CCOc1cccc(C[N@H+](C)C[C@@H](C)c2nccs2)c1O ZINC000183262492 660106844 /nfs/dbraw/zinc/10/68/44/660106844.db2.gz GPABVWIZPSCYHJ-GFCCVEGCSA-N 1 0 306.431 3.483 20 10 DGCDRO C[C@@H]([NH2+]CC1(CO)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000184526100 660171340 /nfs/dbraw/zinc/17/13/40/660171340.db2.gz QAZSEJGLQPDYDZ-MRXNPFEDSA-N 1 0 302.462 3.490 20 10 DGCDRO CCc1onc(C)c1C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000930851831 661434448 /nfs/dbraw/zinc/43/44/48/661434448.db2.gz BHZLGBYAJFKIAQ-UHFFFAOYSA-N 1 0 317.433 3.122 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]CCSc1ccccc1)OCO2 ZINC000042880258 661842200 /nfs/dbraw/zinc/84/22/00/661842200.db2.gz FTFWULQKBPBYTN-UHFFFAOYSA-N 1 0 303.383 3.003 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(O)cc1C ZINC000159503068 661889430 /nfs/dbraw/zinc/88/94/30/661889430.db2.gz RCKKHUXNDHDOLW-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](C[C@@H]1CCOC1)C1CC1)CCCC2 ZINC000159831171 661896333 /nfs/dbraw/zinc/89/63/33/661896333.db2.gz FIADSWTXOYEABR-AWEZNQCLSA-N 1 0 301.430 3.272 20 10 DGCDRO CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@H]1CCCO1 ZINC000048965245 661897638 /nfs/dbraw/zinc/89/76/38/661897638.db2.gz NMNAJLJBDWHLQU-CQSZACIVSA-N 1 0 311.809 3.249 20 10 DGCDRO CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@@H]1CCCO1 ZINC000048965243 661897874 /nfs/dbraw/zinc/89/78/74/661897874.db2.gz NMNAJLJBDWHLQU-AWEZNQCLSA-N 1 0 311.809 3.249 20 10 DGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000187685750 661902431 /nfs/dbraw/zinc/90/24/31/661902431.db2.gz LINNNGUVMCMTSS-ZIAGYGMSSA-N 1 0 320.433 3.300 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1 ZINC000188040427 661912422 /nfs/dbraw/zinc/91/24/22/661912422.db2.gz LJPINGGOLMPEKP-SFHVURJKSA-N 1 0 307.434 3.164 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000189345348 661975387 /nfs/dbraw/zinc/97/53/87/661975387.db2.gz GDVBABHRNALWOX-MRXNPFEDSA-N 1 0 321.424 3.450 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1O ZINC000190180747 662021778 /nfs/dbraw/zinc/02/17/78/662021778.db2.gz WQYYJDSAPBWZGU-INIZCTEOSA-N 1 0 305.418 3.100 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1O ZINC000190180762 662021840 /nfs/dbraw/zinc/02/18/40/662021840.db2.gz WQYYJDSAPBWZGU-MRXNPFEDSA-N 1 0 305.418 3.100 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1C(C)C ZINC000246309931 662253615 /nfs/dbraw/zinc/25/36/15/662253615.db2.gz WDOPFTUDKPAHKX-MOPGFXCFSA-N 1 0 319.445 3.204 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[C@H]1O ZINC000246803502 662282412 /nfs/dbraw/zinc/28/24/12/662282412.db2.gz QUKHJZAQZAGYRO-PKOBYXMFSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccccc2O)cc1 ZINC000091974685 662325838 /nfs/dbraw/zinc/32/58/38/662325838.db2.gz JGOWTRFAGCLJIJ-UHFFFAOYSA-N 1 0 323.396 3.423 20 10 DGCDRO CC1([NH2+]Cc2ccc(N3CCOCC3)cc2)Cc2ccccc2C1 ZINC000092853668 662336940 /nfs/dbraw/zinc/33/69/40/662336940.db2.gz BAIRUEZRGQHXBY-UHFFFAOYSA-N 1 0 322.452 3.170 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000093282001 662350625 /nfs/dbraw/zinc/35/06/25/662350625.db2.gz NKGAGSHFSXKZOX-HNNXBMFYSA-N 1 0 318.461 3.075 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000248529210 662351905 /nfs/dbraw/zinc/35/19/05/662351905.db2.gz WPFRTMZGJNHFHX-JYJNAYRXSA-N 1 0 320.477 3.239 20 10 DGCDRO CCOc1cccc(C[N@H+](C)C2(C(=O)OC)CCCCC2)c1O ZINC000093359746 662353606 /nfs/dbraw/zinc/35/36/06/662353606.db2.gz JVQKQFRTNJQQAT-UHFFFAOYSA-N 1 0 321.417 3.099 20 10 DGCDRO COC(=O)[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000093440924 662354802 /nfs/dbraw/zinc/35/48/02/662354802.db2.gz QMRGEGOQTJRQBL-GOSISDBHSA-N 1 0 316.445 3.204 20 10 DGCDRO CC(C)[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCS1 ZINC000093869196 662360848 /nfs/dbraw/zinc/36/08/48/662360848.db2.gz OKZDYJALWNHTNW-GOSISDBHSA-N 1 0 320.502 3.097 20 10 DGCDRO Nc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390750407 685205106 /nfs/dbraw/zinc/20/51/06/685205106.db2.gz SBSYBBMFSKNFQO-GOSISDBHSA-N 1 0 324.428 3.055 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCc1ccc2c(c1)CCO2 ZINC000390846320 685206141 /nfs/dbraw/zinc/20/61/41/685206141.db2.gz DQEIKYYTXWNEKS-UHFFFAOYSA-N 1 0 308.425 3.076 20 10 DGCDRO CC[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000397788715 685232401 /nfs/dbraw/zinc/23/24/01/685232401.db2.gz AABMZCCFBRUTSL-HNNXBMFYSA-N 1 0 320.433 3.300 20 10 DGCDRO CC[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)(C)C ZINC001577041431 1191881894 /nfs/dbraw/zinc/88/18/94/1191881894.db2.gz LPVIEINLBMBYLK-DOTOQJQBSA-N 1 0 319.493 3.331 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)cc1C ZINC001620790337 1191995721 /nfs/dbraw/zinc/99/57/21/1191995721.db2.gz BNQUCOCVJXWMES-SCLBCKFNSA-N 1 0 303.377 3.354 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001580888615 1192044098 /nfs/dbraw/zinc/04/40/98/1192044098.db2.gz RWAZWDSMNJWDOT-UHFFFAOYSA-N 1 0 312.816 3.150 20 10 DGCDRO Oc1c(C[NH2+]C[C@@]2(C(F)(F)F)CCCN2)ccc2ccccc21 ZINC001580885577 1192044171 /nfs/dbraw/zinc/04/41/71/1192044171.db2.gz FKEUOCNSXCAKGB-MRXNPFEDSA-N 1 0 324.346 3.320 20 10 DGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCC[C@H]1O ZINC001620829781 1192276699 /nfs/dbraw/zinc/27/66/99/1192276699.db2.gz PMYILGGFMVAVLF-RTBURBONSA-N 1 0 302.462 3.318 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(C)=O)cc1C ZINC001691983276 1176122419 /nfs/dbraw/zinc/12/24/19/1176122419.db2.gz XADUODWETDRLTP-RDTXWAMCSA-N 1 0 318.461 3.130 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)cc1F ZINC001621009120 1192780352 /nfs/dbraw/zinc/78/03/52/1192780352.db2.gz SFZJRSUWHCYXEE-SFHVURJKSA-N 1 0 308.441 3.313 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC001331961682 1178321382 /nfs/dbraw/zinc/32/13/82/1178321382.db2.gz ZFEUFWIYBXBCFQ-PKOBYXMFSA-N 1 0 300.446 3.288 20 10 DGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001331985268 1178327699 /nfs/dbraw/zinc/32/76/99/1178327699.db2.gz VMAXFNRSTOCVMV-RFQIPJPRSA-N 1 0 303.402 3.180 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c(O)cc1C ZINC001333828403 1178681657 /nfs/dbraw/zinc/68/16/57/1178681657.db2.gz LKAWIOCBFFYNPO-GFCCVEGCSA-N 1 0 304.415 3.155 20 10 DGCDRO COc1ccc(C[NH2+]CCCc2cccc(F)c2)c(O)c1OC ZINC001334167026 1178730058 /nfs/dbraw/zinc/73/00/58/1178730058.db2.gz AOCGNAFIBMEBMV-UHFFFAOYSA-N 1 0 319.376 3.271 20 10 DGCDRO Nc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cc1 ZINC001335289300 1178885729 /nfs/dbraw/zinc/88/57/29/1178885729.db2.gz MFUCBDFLVKVVOP-UHFFFAOYSA-N 1 0 309.413 3.297 20 10 DGCDRO C[C@H](NC(=O)[C@@H](C[NH3+])C1CCCCCC1)c1ccccc1O ZINC001342404362 1179138288 /nfs/dbraw/zinc/13/82/88/1179138288.db2.gz HBSWUTZOJOUCIY-BBRMVZONSA-N 1 0 304.434 3.115 20 10 DGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001343287884 1179252115 /nfs/dbraw/zinc/25/21/15/1179252115.db2.gz YOYVLWFSEHPQOT-KRFUXDQASA-N 1 0 312.457 3.142 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H](C2CC2)O1 ZINC001344378778 1179423102 /nfs/dbraw/zinc/42/31/02/1179423102.db2.gz VNAFIBIGFBOXDB-KXBFYZLASA-N 1 0 300.446 3.286 20 10 DGCDRO C[C@H](NC(=O)[C@H]1CCCCC12CC[NH2+]CC2)c1ccccc1O ZINC001344461435 1179436478 /nfs/dbraw/zinc/43/64/78/1179436478.db2.gz JFAKYAXYKGJFBR-GOEBONIOSA-N 1 0 316.445 3.129 20 10 DGCDRO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001345159265 1179535535 /nfs/dbraw/zinc/53/55/35/1179535535.db2.gz DNYNICKQAYVKBF-SFHVURJKSA-N 1 0 306.413 3.493 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ncccc3C)C2)cc1 ZINC001345659978 1179589729 /nfs/dbraw/zinc/58/97/29/1179589729.db2.gz HMBHEFGWPQNXCJ-MRXNPFEDSA-N 1 0 311.429 3.015 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C[NH2+]CC2 ZINC001345763588 1179603631 /nfs/dbraw/zinc/60/36/31/1179603631.db2.gz PDNFOVKZAKBNBN-UHFFFAOYSA-N 1 0 324.424 3.090 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC001200114062 1180386150 /nfs/dbraw/zinc/38/61/50/1180386150.db2.gz FWYRDWXQTKOYLB-UHFFFAOYSA-N 1 0 312.404 3.416 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2Cc3ccccc3O2)cc1 ZINC001200161900 1180418549 /nfs/dbraw/zinc/41/85/49/1180418549.db2.gz QXKGMEFZYAZOPK-SFFCAUCYSA-N 1 0 308.425 3.359 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)oc2C)c(O)c1OC ZINC001355242457 1181018783 /nfs/dbraw/zinc/01/87/83/1181018783.db2.gz BCPSTJFVDGXPKE-NSHDSACASA-N 1 0 305.374 3.470 20 10 DGCDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(C(C)C)ccc2O)C1 ZINC001474625723 1181594893 /nfs/dbraw/zinc/59/48/93/1181594893.db2.gz SAZROIVWYSEPMA-KBAYOESNSA-N 1 0 321.461 3.171 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c1 ZINC001652471926 1195602018 /nfs/dbraw/zinc/60/20/18/1195602018.db2.gz VKGSTHZLIYCPCW-OAQYLSRUSA-N 1 0 309.475 3.249 20 10 DGCDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC001459872896 1182625070 /nfs/dbraw/zinc/62/50/70/1182625070.db2.gz IJZZIMXNXGNTCS-RYUDHWBXSA-N 1 0 324.852 3.163 20 10 DGCDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC001460103637 1182651834 /nfs/dbraw/zinc/65/18/34/1182651834.db2.gz FRIPWGHJKNUEMS-QZTJIDSGSA-N 1 0 302.462 3.450 20 10 DGCDRO C[C@@H]([NH2+]Cc1ncccc1Br)c1ccccc1O ZINC001460637516 1182701833 /nfs/dbraw/zinc/70/18/33/1182701833.db2.gz NBYUCGXQTNWVBO-SNVBAGLBSA-N 1 0 307.191 3.401 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1F ZINC001460994169 1182753624 /nfs/dbraw/zinc/75/36/24/1182753624.db2.gz FWZQBNOMCWOUFP-IBGZPJMESA-N 1 0 315.436 3.284 20 10 DGCDRO CC(C)C[C@H](CNCc1cc(F)c(N(C)C)cc1F)[NH+](C)C ZINC001461032466 1182758247 /nfs/dbraw/zinc/75/82/47/1182758247.db2.gz RNDRRUFYDVOGHM-CQSZACIVSA-N 1 0 313.436 3.097 20 10 DGCDRO Clc1cc2c(c(C[NH2+]Cc3ccc4c(c3)CCO4)c1)OCC2 ZINC001461126561 1182771705 /nfs/dbraw/zinc/77/17/05/1182771705.db2.gz DBLVSSFYQYHZJM-UHFFFAOYSA-N 1 0 315.800 3.500 20 10 DGCDRO Cn1cc(CC[NH2+]Cc2c(O)cccc2Cl)c2cccnc21 ZINC001461699584 1182844538 /nfs/dbraw/zinc/84/45/38/1182844538.db2.gz XSLNDULIANMPNR-UHFFFAOYSA-N 1 0 315.804 3.265 20 10 DGCDRO COc1ccc(C[NH2+]CC(C)(C)C2CC2)cc1Cn1cccn1 ZINC001461782298 1182853800 /nfs/dbraw/zinc/85/38/00/1182853800.db2.gz IECQMINXNZTEFW-UHFFFAOYSA-N 1 0 313.445 3.466 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC001461904140 1182873427 /nfs/dbraw/zinc/87/34/27/1182873427.db2.gz QVQLBTHHSGYQSY-UHFFFAOYSA-N 1 0 316.445 3.102 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001461914812 1182877587 /nfs/dbraw/zinc/87/75/87/1182877587.db2.gz QZBRAJRNYQLJBG-MRXNPFEDSA-N 1 0 318.461 3.225 20 10 DGCDRO C[Si](C)(C)c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC001462265393 1182930251 /nfs/dbraw/zinc/93/02/51/1182930251.db2.gz DYJLHUVWPUDLQD-UHFFFAOYSA-N 1 0 303.453 3.366 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c(O)c1 ZINC001462303620 1182936886 /nfs/dbraw/zinc/93/68/86/1182936886.db2.gz HKZDPVNCOLMECU-SFHVURJKSA-N 1 0 308.425 3.338 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)cc1Cl ZINC001462571688 1182970220 /nfs/dbraw/zinc/97/02/20/1182970220.db2.gz BNZWXPZSBHCYLE-ZDUSSCGKSA-N 1 0 324.774 3.326 20 10 DGCDRO COC[C@H](CC(C)C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001462651040 1182980731 /nfs/dbraw/zinc/98/07/31/1182980731.db2.gz NNKGHGSZESNXRB-PKOBYXMFSA-N 1 0 321.509 3.006 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)CC23CCCCC3)cc1 ZINC001473198847 1183728829 /nfs/dbraw/zinc/72/88/29/1183728829.db2.gz VRPZPGCCHMPDGY-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCCOC(C)(C)C)cc1 ZINC001473610952 1183780533 /nfs/dbraw/zinc/78/05/33/1183780533.db2.gz WFHSRWMDMOOYGQ-UHFFFAOYSA-N 1 0 308.466 3.268 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(N(C)C)nc1 ZINC001473926744 1183830565 /nfs/dbraw/zinc/83/05/65/1183830565.db2.gz HFRKANZGRJGVCM-UHFFFAOYSA-N 1 0 308.429 3.238 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCC[C@@H](C)C2)cc1F ZINC001473931133 1183831773 /nfs/dbraw/zinc/83/17/73/1183831773.db2.gz FJKLXWHZTFWNNN-MRXNPFEDSA-N 1 0 321.484 3.493 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2cccc(CO)c2)ccc1OC ZINC001473992437 1183845566 /nfs/dbraw/zinc/84/55/66/1183845566.db2.gz ADWJUEVVLYDWMC-UHFFFAOYSA-N 1 0 315.413 3.014 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCC2 ZINC001474011310 1183850122 /nfs/dbraw/zinc/85/01/22/1183850122.db2.gz QUOQNFNJNQDKFH-QZTJIDSGSA-N 1 0 301.430 3.449 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC001474137482 1183872878 /nfs/dbraw/zinc/87/28/78/1183872878.db2.gz FRXQDLGPWIGAFP-RRFGBZISSA-N 1 0 313.489 3.372 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC001474378739 1183911489 /nfs/dbraw/zinc/91/14/89/1183911489.db2.gz GVEYRZGHMLCHQH-YWPBOTNQSA-N 1 0 322.456 3.435 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(O)c1 ZINC001474631084 1183952483 /nfs/dbraw/zinc/95/24/83/1183952483.db2.gz WTJPEHKDOUNBID-DNVCBOLYSA-N 1 0 319.445 3.490 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC001474646893 1183954631 /nfs/dbraw/zinc/95/46/31/1183954631.db2.gz YHONXMJCCDTKFI-GOSISDBHSA-N 1 0 320.477 3.058 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC(C)(C)CC[C@@H]2CO)cc1 ZINC001474682211 1183960700 /nfs/dbraw/zinc/96/07/00/1183960700.db2.gz ULQLJUYXECFBHZ-DUMMIQTOSA-N 1 0 302.462 3.249 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H](O)Cc2ccccc2F)c1 ZINC001474711003 1183966481 /nfs/dbraw/zinc/96/64/81/1183966481.db2.gz YRBASJVIQOFDOP-QGZVFWFLSA-N 1 0 317.404 3.348 20 10 DGCDRO COc1cc(CC[NH2+]Cc2ccc(C)cc2O)cc(OC)c1 ZINC001474756840 1183973989 /nfs/dbraw/zinc/97/39/89/1183973989.db2.gz MSENKRZUWGXXRG-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(C(=O)[O-])ccc1O ZINC001609774935 1193354828 /nfs/dbraw/zinc/35/48/28/1193354828.db2.gz DBDYUPWXEDCFJV-GFCCVEGCSA-N 1 0 320.433 3.004 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1F ZINC001621087442 1193483478 /nfs/dbraw/zinc/48/34/78/1193483478.db2.gz MBHSFOFALUBTDT-GUYCJALGSA-N 1 0 310.388 3.078 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccccc1O ZINC001560074960 1189274406 /nfs/dbraw/zinc/27/44/06/1189274406.db2.gz MWFAZNWPTPUPCW-LLVKDONJSA-N 1 0 311.337 3.055 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)c1ccccc1O ZINC001560074896 1189275245 /nfs/dbraw/zinc/27/52/45/1189275245.db2.gz KRNFBGZRBLYUHT-NEPJUHHUSA-N 1 0 302.349 3.209 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCn2cnc3ccccc32)cc1F ZINC001560294533 1189307071 /nfs/dbraw/zinc/30/70/71/1189307071.db2.gz FLXKOZNICDNIOS-UHFFFAOYSA-N 1 0 312.392 3.031 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cc1F ZINC001560555154 1189341654 /nfs/dbraw/zinc/34/16/54/1189341654.db2.gz COMKVUCMHBICQG-IINYFYTJSA-N 1 0 322.346 3.073 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(=O)OC(C)(C)C ZINC001560596866 1189345638 /nfs/dbraw/zinc/34/56/38/1189345638.db2.gz VBEINVSTIYHGDL-HNNXBMFYSA-N 1 0 307.434 3.461 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(CCO)cc1 ZINC001560613105 1189348000 /nfs/dbraw/zinc/34/80/00/1189348000.db2.gz KZPFHKQLYRLJOZ-UHFFFAOYSA-N 1 0 308.425 3.311 20 10 DGCDRO CCOC(OCC)[C@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC001560626513 1189351195 /nfs/dbraw/zinc/35/11/95/1189351195.db2.gz QJDAIKNBQMCGGA-NSHDSACASA-N 1 0 301.814 3.231 20 10 DGCDRO COCCCOC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001560655435 1189355447 /nfs/dbraw/zinc/35/54/47/1189355447.db2.gz AOGJXXMENZKFIN-UHFFFAOYSA-N 1 0 313.825 3.063 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC001560672106 1189357700 /nfs/dbraw/zinc/35/77/00/1189357700.db2.gz WPJBAXMSMLYFKG-OAHLLOKOSA-N 1 0 314.433 3.019 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC001560687726 1189360958 /nfs/dbraw/zinc/36/09/58/1189360958.db2.gz OGMAXGMZJLPJSG-TXEJJXNPSA-N 1 0 318.392 3.192 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c(O)c1 ZINC001560710533 1189364966 /nfs/dbraw/zinc/36/49/66/1189364966.db2.gz NURCVCVCUFVBKU-MRXNPFEDSA-N 1 0 305.418 3.256 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c(O)c1 ZINC001560766628 1189377344 /nfs/dbraw/zinc/37/73/44/1189377344.db2.gz VIXOCVPZUKKCKN-UHFFFAOYSA-N 1 0 315.413 3.226 20 10 DGCDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001560769220 1189378938 /nfs/dbraw/zinc/37/89/38/1189378938.db2.gz VAZYGTXWTJNJNL-IBGZPJMESA-N 1 0 321.461 3.435 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c(O)c1 ZINC001560794207 1189383690 /nfs/dbraw/zinc/38/36/90/1189383690.db2.gz MSEGMAWCFQOIOR-OAHLLOKOSA-N 1 0 313.397 3.062 20 10 DGCDRO Cc1cc(CC[NH2+][C@@H]2CCCN(C)C2)c(C)n1-c1ccccc1 ZINC001560956577 1189410929 /nfs/dbraw/zinc/41/09/29/1189410929.db2.gz BGAIRXATEAACFK-LJQANCHMSA-N 1 0 311.473 3.320 20 10 DGCDRO COc1cc(C)c(C[NH2+]C2CC(Nc3ccccc3)C2)c(O)c1 ZINC001560998215 1189418053 /nfs/dbraw/zinc/41/80/53/1189418053.db2.gz RHSJZOUMITTYQG-UHFFFAOYSA-N 1 0 312.413 3.442 20 10 DGCDRO CCC[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001568263244 1190466659 /nfs/dbraw/zinc/46/66/59/1190466659.db2.gz VNUFFXZUHIQQCI-GOEBONIOSA-N 1 0 320.477 3.376 20 10 DGCDRO Cn1cnc2cc(C[NH2+]Cc3ccc4c(c3)CCCN4C)ccc21 ZINC001620751825 1191430510 /nfs/dbraw/zinc/43/05/10/1191430510.db2.gz GUYIREGBUWIHKL-UHFFFAOYSA-N 1 0 320.440 3.246 20 10 DGCDRO Cc1cc(C[N@H+](C2CC2)C2COC2)ccc1N1CCCCC1 ZINC001618122878 1193725515 /nfs/dbraw/zinc/72/55/15/1193725515.db2.gz QTRQETHFZZECEB-UHFFFAOYSA-N 1 0 300.446 3.349 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1ccccc1O ZINC001620505374 1193773867 /nfs/dbraw/zinc/77/38/67/1193773867.db2.gz XWXMYLDONKWGBH-CYBMUJFWSA-N 1 0 321.380 3.406 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N1CCCC1 ZINC001620714984 1193794250 /nfs/dbraw/zinc/79/42/50/1193794250.db2.gz CPZQTZAQUSUCCC-SFHVURJKSA-N 1 0 301.478 3.251 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC001621103692 1193802197 /nfs/dbraw/zinc/80/21/97/1193802197.db2.gz HXVZDMNAKBLEFP-SHTZXODSSA-N 1 0 320.433 3.149 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC001621137869 1193807382 /nfs/dbraw/zinc/80/73/82/1193807382.db2.gz MYXWHOQPHCUOFH-UHFFFAOYSA-N 1 0 310.441 3.367 20 10 DGCDRO CC(C)c1ccc(O)c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC001621311592 1193829370 /nfs/dbraw/zinc/82/93/70/1193829370.db2.gz NXWRFFIIVDGIOC-SFHVURJKSA-N 1 0 320.477 3.058 20 10 DGCDRO COc1c([O-])c(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001621323384 1193830327 /nfs/dbraw/zinc/83/03/27/1193830327.db2.gz CCVQKDYAMRMRBF-WCQYABFASA-N 1 0 308.378 3.320 20 10 DGCDRO CCN1CCC[C@H]([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001621396665 1193837222 /nfs/dbraw/zinc/83/72/22/1193837222.db2.gz PNAVXYNQUDEUSE-AEFFLSMTSA-N 1 0 303.494 3.066 20 10 DGCDRO CCN1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001621396667 1193837979 /nfs/dbraw/zinc/83/79/79/1193837979.db2.gz PNAVXYNQUDEUSE-SJLPKXTDSA-N 1 0 303.494 3.066 20 10 DGCDRO CCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCN(C)C1 ZINC001621407242 1193838346 /nfs/dbraw/zinc/83/83/46/1193838346.db2.gz RYSLBWVCRWDLSL-RURPWVQCSA-N 1 0 301.478 3.182 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@@H]3C[C@]3(C(=O)OC)C2)cc1C ZINC001621483603 1193848735 /nfs/dbraw/zinc/84/87/35/1193848735.db2.gz IFDYUADGOYWEKQ-GJYPPUQNSA-N 1 0 317.429 3.215 20 10 DGCDRO CC(C)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001627464606 1194130641 /nfs/dbraw/zinc/13/06/41/1194130641.db2.gz OXRRMRDLUWHLRG-GOSISDBHSA-N 1 0 319.493 3.298 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001631159030 1194322875 /nfs/dbraw/zinc/32/28/75/1194322875.db2.gz HBFPOKSYFKIUQN-KRWDZBQOSA-N 1 0 318.461 3.253 20 10 DGCDRO O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)C1=CC(=O)CS1 ZINC001631879183 1194359928 /nfs/dbraw/zinc/35/99/28/1194359928.db2.gz MWZWJWPXXBZNKH-UHFFFAOYSA-N 1 0 311.366 3.267 20 10 DGCDRO CCOC(=O)/C=C/C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC001641730964 1194868731 /nfs/dbraw/zinc/86/87/31/1194868731.db2.gz BPPGTDUOBARNMP-KPKJPENVSA-N 1 0 303.402 3.256 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)cc1 ZINC001645534801 1195191786 /nfs/dbraw/zinc/19/17/86/1195191786.db2.gz RWNQKMYVVLXIKX-NRFANRHFSA-N 1 0 323.484 3.111 20 10 DGCDRO C[NH+](C)CC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)(C)C ZINC001649412075 1195334547 /nfs/dbraw/zinc/33/45/47/1195334547.db2.gz FAKUKDCAQOIBOC-SFHVURJKSA-N 1 0 304.478 3.468 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCOC[C@@H]2CCCO2)cc1C ZINC001649935309 1195359196 /nfs/dbraw/zinc/35/91/96/1195359196.db2.gz DZYAUFDVASFGEV-KRWDZBQOSA-N 1 0 307.434 3.069 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](CCO)C2CCCCC2)cc1F ZINC001650903277 1195393826 /nfs/dbraw/zinc/39/38/26/1195393826.db2.gz MNPSAFXAGLTQBG-QGZVFWFLSA-N 1 0 308.441 3.313 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC001650919129 1195395340 /nfs/dbraw/zinc/39/53/40/1195395340.db2.gz QZPDESGLUXIVPN-MJGOQNOKSA-N 1 0 300.446 3.334 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001651013861 1195404576 /nfs/dbraw/zinc/40/45/76/1195404576.db2.gz WHTCHAKCYRDUGL-LJQANCHMSA-N 1 0 312.388 3.449 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC001651156616 1195420772 /nfs/dbraw/zinc/42/07/72/1195420772.db2.gz GRIIASJYZQQPFM-OXJNMPFZSA-N 1 0 322.408 3.071 20 10 DGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001651194726 1195425109 /nfs/dbraw/zinc/42/51/09/1195425109.db2.gz WDVMMBNDQYUNGB-UKRRQHHQSA-N 1 0 324.415 3.470 20 10 DGCDRO COC(=O)[C@H](C)C[N@H+](Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001652170419 1195557101 /nfs/dbraw/zinc/55/71/01/1195557101.db2.gz ZGQQBLVBTBISQN-CYBMUJFWSA-N 1 0 305.418 3.289 20 10 DGCDRO CCCN(Cc1ccc(C(=O)OCC)[nH]1)c1ccc(C[NH3+])cc1 ZINC001652377193 1195589153 /nfs/dbraw/zinc/58/91/53/1195589153.db2.gz AAPGYUWMDJHFRL-UHFFFAOYSA-N 1 0 315.417 3.067 20 10 DGCDRO OCC[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1F ZINC001652719253 1195640327 /nfs/dbraw/zinc/64/03/27/1195640327.db2.gz NKWGYMYJSLNKJH-HNNXBMFYSA-N 1 0 309.768 3.398 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](C(C)(C)O)C2)cc1 ZINC001653072471 1195685449 /nfs/dbraw/zinc/68/54/49/1195685449.db2.gz HNXMXRAMCHKOFG-UABRLCRWSA-N 1 0 302.462 3.249 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)cc1F ZINC001653075789 1195686031 /nfs/dbraw/zinc/68/60/31/1195686031.db2.gz MWVJZOFEQYMQCG-ZDUSSCGKSA-N 1 0 312.404 3.014 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC001653097514 1195687388 /nfs/dbraw/zinc/68/73/88/1195687388.db2.gz LAVVLRSVJXFHBM-UHFFFAOYSA-N 1 0 302.462 3.236 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](CC2CCCC2)C(=O)OC)c1O ZINC001653221918 1195700778 /nfs/dbraw/zinc/70/07/78/1195700778.db2.gz FNAUAJFMUXECCP-QGZVFWFLSA-N 1 0 319.445 3.414 20 10 DGCDRO CCCN(CC[NH+](CC)CC)Cc1cc(F)cc(C(C)=O)c1O ZINC001653231542 1195701841 /nfs/dbraw/zinc/70/18/41/1195701841.db2.gz ZFZXTKMZMHEAEK-UHFFFAOYSA-N 1 0 324.440 3.288 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(NC(N)=O)cc2)c(Cl)c1 ZINC001655245984 1195895550 /nfs/dbraw/zinc/89/55/50/1195895550.db2.gz ATWMTXRONLZBTE-UHFFFAOYSA-N 1 0 319.792 3.134 20 10 DGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1O ZINC001655349289 1195906360 /nfs/dbraw/zinc/90/63/60/1195906360.db2.gz GHWJGQBQWSVYSQ-JTQLQIEISA-N 1 0 322.767 3.474 20 10 DGCDRO Cc1ccccc1OCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001656163493 1196012176 /nfs/dbraw/zinc/01/21/76/1196012176.db2.gz YDHYEUTYMQDNSP-UHFFFAOYSA-N 1 0 302.393 3.369 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCN2C2CC2)c(Cl)c1 ZINC001656203369 1196017341 /nfs/dbraw/zinc/01/73/41/1196017341.db2.gz IAEMNIOCLJVTEL-CQSZACIVSA-N 1 0 308.853 3.461 20 10 DGCDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001656268514 1196025728 /nfs/dbraw/zinc/02/57/28/1196025728.db2.gz KKHVDLNJZUCHGY-ZWKOTPCHSA-N 1 0 302.462 3.439 20 10 DGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001656750115 1196068451 /nfs/dbraw/zinc/06/84/51/1196068451.db2.gz QULPYMKFYAZALE-NVXWUHKLSA-N 1 0 319.468 3.246 20 10 DGCDRO COc1ccccc1C[N@H+](CCO)Cc1ccc(Cl)cc1O ZINC001657189065 1196117058 /nfs/dbraw/zinc/11/70/58/1196117058.db2.gz MWDMPFOQOLMODH-UHFFFAOYSA-N 1 0 321.804 3.049 20 10 DGCDRO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001657255887 1196124125 /nfs/dbraw/zinc/12/41/25/1196124125.db2.gz UKMKYIKHRHORDO-INIZCTEOSA-N 1 0 305.418 3.432 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCS1 ZINC001657448409 1196142251 /nfs/dbraw/zinc/14/22/51/1196142251.db2.gz FAUHZUSAZZXGAH-SNVBAGLBSA-N 1 0 316.264 3.482 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)cc1 ZINC001657788577 1196178154 /nfs/dbraw/zinc/17/81/54/1196178154.db2.gz LEJFRKBIRIQZQG-PJHKVULZSA-N 1 0 302.462 3.295 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CCc2ccccc2)c(Cl)c1 ZINC001658021379 1196202300 /nfs/dbraw/zinc/20/23/00/1196202300.db2.gz CBBXKTKWYVLHRD-OAHLLOKOSA-N 1 0 319.832 3.437 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC001658070078 1196208215 /nfs/dbraw/zinc/20/82/15/1196208215.db2.gz VQDYZYPTCZBQOW-FQEVSTJZSA-N 1 0 312.457 3.447 20 10 DGCDRO OC[C@]1(C[NH2+]Cc2ccc(Cl)cc2O)C[C@@H]1c1ccccc1 ZINC001658225627 1196226969 /nfs/dbraw/zinc/22/69/69/1196226969.db2.gz DDTYOACOXHGBMC-SJLPKXTDSA-N 1 0 317.816 3.301 20 10 DGCDRO C[C@@H](CCO)[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001658469393 1196262410 /nfs/dbraw/zinc/26/24/10/1196262410.db2.gz WDZMIKXOAMEMLM-KRWDZBQOSA-N 1 0 324.468 3.452 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CCC1 ZINC001658582448 1196276562 /nfs/dbraw/zinc/27/65/62/1196276562.db2.gz RTVACUIJQZTZCB-UHFFFAOYSA-N 1 0 311.809 3.177 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1F ZINC001658588550 1196278062 /nfs/dbraw/zinc/27/80/62/1196278062.db2.gz IGTBGUMOVSSGOE-AEFFLSMTSA-N 1 0 306.425 3.329 20 10 DGCDRO COC(=O)c1oc(C[NH2+]Cc2ccc(Cl)cc2O)cc1C ZINC001658693589 1196289633 /nfs/dbraw/zinc/28/96/33/1196289633.db2.gz WPKMFFJUMAALSV-UHFFFAOYSA-N 1 0 309.749 3.023 20 10 DGCDRO COC(=O)c1c(C[NH2+]C[C@@H]2C=CCC2)c2cc(F)ccc2n1C ZINC001658796633 1196302767 /nfs/dbraw/zinc/30/27/67/1196302767.db2.gz DPRMIFMQSJFBFM-GFCCVEGCSA-N 1 0 316.376 3.160 20 10 DGCDRO Cc1ccnc(C[NH2+]Cc2cc(Br)cc(C)c2O)c1 ZINC001658823195 1196304816 /nfs/dbraw/zinc/30/48/16/1196304816.db2.gz DCTTZHXDBIVFQC-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC001659071009 1196340519 /nfs/dbraw/zinc/34/05/19/1196340519.db2.gz HFTPIKVAQWORES-IBGZPJMESA-N 1 0 304.478 3.434 20 10 DGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2cccs2)c(O)c1 ZINC001659120524 1196348248 /nfs/dbraw/zinc/34/82/48/1196348248.db2.gz SBPKEZYTNAMKJI-UHFFFAOYSA-N 1 0 304.459 3.326 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC001659250725 1196363037 /nfs/dbraw/zinc/36/30/37/1196363037.db2.gz VXUMDTXTKIZHPZ-KDOFPFPSSA-N 1 0 307.434 3.250 20 10 DGCDRO Cc1ccc(C(C)(C)C[NH2+]Cc2cc(F)c(F)cc2[O-])nc1 ZINC001659660394 1196403493 /nfs/dbraw/zinc/40/34/93/1196403493.db2.gz LWOCWCBEEORZTG-UHFFFAOYSA-N 1 0 306.356 3.441 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCOc3ccc(OC)cc3C2)c1O ZINC001659818662 1196417263 /nfs/dbraw/zinc/41/72/63/1196417263.db2.gz YYHCLARMEMLMBB-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO CO[C@@H](C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)CC(C)C ZINC001660177638 1196454325 /nfs/dbraw/zinc/45/43/25/1196454325.db2.gz GHNIOKFNBNCBQC-MOPGFXCFSA-N 1 0 321.509 3.006 20 10 DGCDRO CO[C@@H](C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)CC(C)C ZINC001660177641 1196454328 /nfs/dbraw/zinc/45/43/28/1196454328.db2.gz GHNIOKFNBNCBQC-RTBURBONSA-N 1 0 321.509 3.006 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001660193892 1196455276 /nfs/dbraw/zinc/45/52/76/1196455276.db2.gz MUZZUFLRIDJXQR-STQMWFEESA-N 1 0 311.372 3.309 20 10 DGCDRO COc1cc(C)c(C[NH2+]CCc2c(F)cc(O)cc2F)c(O)c1 ZINC001660766907 1196521475 /nfs/dbraw/zinc/52/14/75/1196521475.db2.gz VJXBOXJXGITTDY-UHFFFAOYSA-N 1 0 323.339 3.025 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)C(=O)N[C@H](C)CC)cc1C ZINC001661224249 1196585510 /nfs/dbraw/zinc/58/55/10/1196585510.db2.gz KYAMQLXZVVXXLZ-HUUCEWRRSA-N 1 0 306.450 3.177 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001661351178 1196597035 /nfs/dbraw/zinc/59/70/35/1196597035.db2.gz MSRRZMNSRJXQLR-LBPRGKRZSA-N 1 0 314.832 3.395 20 10 DGCDRO C[NH+](C)CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)(C)C ZINC001661416114 1196603663 /nfs/dbraw/zinc/60/36/63/1196603663.db2.gz JPRFEHIPHRTDQC-AWEZNQCLSA-N 1 0 300.393 3.126 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](COC)[C@H]2CCCO2)cc1C ZINC001662332310 1196709163 /nfs/dbraw/zinc/70/91/63/1196709163.db2.gz HFTHLICQQXSBQH-FUHWJXTLSA-N 1 0 307.434 3.067 20 10 DGCDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)C ZINC001662502784 1196726454 /nfs/dbraw/zinc/72/64/54/1196726454.db2.gz MRVGOSXKIKBSNT-HKUYNNGSSA-N 1 0 305.462 3.390 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3C[C@@H]4CC[C@@H](C4)C3)C2)cc1 ZINC001662841132 1196760251 /nfs/dbraw/zinc/76/02/51/1196760251.db2.gz BKXSPHDZFLBKBQ-TWMKSMIVSA-N 1 0 300.446 3.442 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]C[C@]3(C)CC3(C)C)cc2F)CC1 ZINC001663164852 1196803393 /nfs/dbraw/zinc/80/33/93/1196803393.db2.gz HHINRZFQOVGADL-IBGZPJMESA-N 1 0 319.468 3.103 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001663554646 1196903097 /nfs/dbraw/zinc/90/30/97/1196903097.db2.gz JKUKLHBZAAHYOO-INIZCTEOSA-N 1 0 302.462 3.433 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001664057726 1196967563 /nfs/dbraw/zinc/96/75/63/1196967563.db2.gz OIVJWKHWKYXIKT-UHFFFAOYSA-N 1 0 309.457 3.383 20 10 DGCDRO CC[C@@H](C)[C@@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)OC ZINC001664200079 1196979211 /nfs/dbraw/zinc/97/92/11/1196979211.db2.gz VXDUOJGFIYFODO-CRAIPNDOSA-N 1 0 308.466 3.124 20 10 DGCDRO CC[C@@H](C)[C@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)OC ZINC001664200081 1196979549 /nfs/dbraw/zinc/97/95/49/1196979549.db2.gz VXDUOJGFIYFODO-QAPCUYQASA-N 1 0 308.466 3.124 20 10 DGCDRO Cc1ccnc(N)c1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001664626982 1197023780 /nfs/dbraw/zinc/02/37/80/1197023780.db2.gz ITOMLXBTCMVOPC-UHFFFAOYSA-N 1 0 310.445 3.204 20 10 DGCDRO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1O ZINC001664644436 1197025492 /nfs/dbraw/zinc/02/54/92/1197025492.db2.gz JKGCSQNKALXZPE-UHFFFAOYSA-N 1 0 324.852 3.270 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1O ZINC001665650927 1197164060 /nfs/dbraw/zinc/16/40/60/1197164060.db2.gz MSVHUHDLDXTCSR-FXAWDEMLSA-N 1 0 309.409 3.483 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC2CCC2)cc1C ZINC001674647008 1197819492 /nfs/dbraw/zinc/81/94/92/1197819492.db2.gz MMLJLOIMLYGMNF-LSDHHAIUSA-N 1 0 318.461 3.177 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C=C2CCC2)cc1C ZINC001676330661 1198291571 /nfs/dbraw/zinc/29/15/71/1198291571.db2.gz NTCRPOYPEOSJKN-HNNXBMFYSA-N 1 0 316.445 3.050 20 10 DGCDRO C[N@H+](CCC(F)(F)F)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092478903 1198578925 /nfs/dbraw/zinc/57/89/25/1198578925.db2.gz PLEUDMAXFQYOGA-UHFFFAOYSA-N 1 0 320.330 3.047 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCOCC(F)(F)F ZINC000111637278 1199629284 /nfs/dbraw/zinc/62/92/84/1199629284.db2.gz NTTVRAKXCADQSR-GHMZBOCLSA-N 1 0 303.324 3.417 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000315573668 1199807404 /nfs/dbraw/zinc/80/74/04/1199807404.db2.gz PVBWQJMHXDPRAG-WCVJEAGWSA-N 1 0 300.446 3.465 20 10 DGCDRO CC[C@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001690143640 1200421188 /nfs/dbraw/zinc/42/11/88/1200421188.db2.gz YFLLBGCUCVVZOZ-GUYCJALGSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C=C2CCC2)cc1C ZINC001690837890 1200743651 /nfs/dbraw/zinc/74/36/51/1200743651.db2.gz UWDSRYYWHPGFKF-OAHLLOKOSA-N 1 0 316.445 3.098 20 10 DGCDRO CC[C@H](CNC(=O)C1(C)CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698610401 1201280353 /nfs/dbraw/zinc/28/03/53/1201280353.db2.gz QIQHLJAQCUFVFH-MRXNPFEDSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001698960519 1201612652 /nfs/dbraw/zinc/61/26/52/1201612652.db2.gz KMRPNKVFQXFTDO-WMLDXEAASA-N 1 0 320.477 3.280 20 10 DGCDRO Cc1cccc(OC2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000154387809 1202597303 /nfs/dbraw/zinc/59/73/03/1202597303.db2.gz AJWITPPKPPRIFW-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1Cc1ccccc1 ZINC000237718512 1202691955 /nfs/dbraw/zinc/69/19/55/1202691955.db2.gz NDHZPSXQJVBARO-JXFKEZNVSA-N 1 0 322.452 3.374 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)C=C(C)C)C(C)C)cc1C ZINC001715489742 1203350784 /nfs/dbraw/zinc/35/07/84/1203350784.db2.gz YZFIMISXLFTLMZ-KRWDZBQOSA-N 1 0 318.461 3.200 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)C)cc1C ZINC001715698144 1203381626 /nfs/dbraw/zinc/38/16/26/1203381626.db2.gz JMBDAELFLNXCHD-AWEZNQCLSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2CCCCC2)cc1C ZINC001716387214 1203464280 /nfs/dbraw/zinc/46/42/80/1203464280.db2.gz LRFNLTVWVABBDA-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593267699 994591388 /nfs/dbraw/zinc/59/13/88/994591388.db2.gz RAPALNWJVLTPSJ-UONOGXRCSA-N 1 0 320.433 3.006 20 10 DGCDRO C[C@@]1(C[NH3+])CCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237082551 1099962402 /nfs/dbraw/zinc/96/24/02/1099962402.db2.gz RDXPPARZVWTLCU-AWEZNQCLSA-N 1 0 303.233 3.260 20 10 DGCDRO COC(C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O)OC ZINC001140058229 1081776294 /nfs/dbraw/zinc/77/62/94/1081776294.db2.gz VRPHWRNFRPGAGD-UHFFFAOYSA-N 1 0 319.376 3.152 20 10 DGCDRO C[N@@H+]1CCCC[C@@H]1c1ccc(NCc2ccc(O)c(O)c2)nc1 ZINC001169993276 1081804935 /nfs/dbraw/zinc/80/49/35/1081804935.db2.gz QVZSRFPHNYPYDR-OAHLLOKOSA-N 1 0 313.401 3.262 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)C1CCOCC1 ZINC000691475578 1081862312 /nfs/dbraw/zinc/86/23/12/1081862312.db2.gz BHEVXOUYSYQWIR-JTQLQIEISA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001140178532 1081936736 /nfs/dbraw/zinc/93/67/36/1081936736.db2.gz NQZCCWBXKNNRFC-DOMZBBRYSA-N 1 0 317.351 3.144 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000691522011 1081958640 /nfs/dbraw/zinc/95/86/40/1081958640.db2.gz JOVAIUAMLONVQO-STQMWFEESA-N 1 0 322.449 3.346 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C4CC4)nc3)cc2)CC1 ZINC001167437354 1082122680 /nfs/dbraw/zinc/12/26/80/1082122680.db2.gz RNKYOWPBYTVWGH-UHFFFAOYSA-N 1 0 322.456 3.323 20 10 DGCDRO CN1CCCc2cc(CN3CC[NH2+]C[C@H]3c3ccccc3)ccc21 ZINC000313408150 1082208025 /nfs/dbraw/zinc/20/80/25/1082208025.db2.gz ZCDIBXXDDJVUPY-NRFANRHFSA-N 1 0 321.468 3.216 20 10 DGCDRO COCCOc1ccc(N2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC001170157614 1082264089 /nfs/dbraw/zinc/26/40/89/1082264089.db2.gz LAVDHMGFGBHBDZ-FUHWJXTLSA-N 1 0 318.461 3.022 20 10 DGCDRO CC[C@H]1C[C@@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)CCO1 ZINC001170241879 1082325378 /nfs/dbraw/zinc/32/53/78/1082325378.db2.gz YTBBUPBOXTVKKC-IRXDYDNUSA-N 1 0 318.461 3.083 20 10 DGCDRO C[C@@H](Cc1ccccc1Cl)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001170255994 1082328658 /nfs/dbraw/zinc/32/86/58/1082328658.db2.gz HCOZQWFMYZMVTG-NSHDSACASA-N 1 0 319.788 3.155 20 10 DGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC001170297149 1082338489 /nfs/dbraw/zinc/33/84/89/1082338489.db2.gz KPVMTMFPGVMXLX-LBPRGKRZSA-N 1 0 316.357 3.030 20 10 DGCDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C1(C)C ZINC001170386295 1082358310 /nfs/dbraw/zinc/35/83/10/1082358310.db2.gz NDGBCNBLAOQZRF-PBHICJAKSA-N 1 0 309.381 3.027 20 10 DGCDRO [NH3+]CCN(c1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 ZINC001170626265 1082957844 /nfs/dbraw/zinc/95/78/44/1082957844.db2.gz DKCKMRIZQXVLGN-UHFFFAOYSA-N 1 0 314.429 3.149 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000694769617 1083135168 /nfs/dbraw/zinc/13/51/68/1083135168.db2.gz GUKAYSYVDHGHSO-DDFAGTSDSA-N 1 0 314.223 3.200 20 10 DGCDRO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001181112829 1083407866 /nfs/dbraw/zinc/40/78/66/1083407866.db2.gz NJGPASYLOGTPKI-CJNGLKHVSA-N 1 0 305.418 3.289 20 10 DGCDRO CC/C=C(/C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181378273 1083456982 /nfs/dbraw/zinc/45/69/82/1083456982.db2.gz SVKJITGLNOTZCJ-JJKQHFEOSA-N 1 0 316.445 3.050 20 10 DGCDRO CCc1cc(OC)ccc1C[NH2+]Cc1cccc(OC)c1O ZINC001181484965 1083483197 /nfs/dbraw/zinc/48/31/97/1083483197.db2.gz GONYHESCDDESAD-UHFFFAOYSA-N 1 0 301.386 3.262 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@@H]1O ZINC001183991399 1084084809 /nfs/dbraw/zinc/08/48/09/1084084809.db2.gz HJAUSXJRJOGGFB-IERDGZPVSA-N 1 0 322.452 3.062 20 10 DGCDRO COC(=O)C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)(C)C ZINC001184011643 1084089020 /nfs/dbraw/zinc/08/90/20/1084089020.db2.gz FVOUYAFNMFYNGI-OZSKJFCKSA-N 1 0 318.461 3.333 20 10 DGCDRO CC(C)C1CC([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001184217905 1084127039 /nfs/dbraw/zinc/12/70/39/1084127039.db2.gz JXTZXGRRMVUAOR-FAFZWHIHSA-N 1 0 303.494 3.380 20 10 DGCDRO Cc1cccc(OC2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC000154338093 1084513204 /nfs/dbraw/zinc/51/32/04/1084513204.db2.gz GSCRETDKPNHGCH-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3cccc(C)n3)CC2)c1 ZINC000154336798 1084513248 /nfs/dbraw/zinc/51/32/48/1084513248.db2.gz BYEHYDJIBCWXNX-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO N[C@H](c1ccccc1O)[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1O ZINC001167915125 1084655231 /nfs/dbraw/zinc/65/52/31/1084655231.db2.gz ZQWDATIECIIJAA-MMFWEMPGSA-N 1 0 324.424 3.227 20 10 DGCDRO CCC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482135044 1084857827 /nfs/dbraw/zinc/85/78/27/1084857827.db2.gz DHAJFGMUOUEEEQ-CQSZACIVSA-N 1 0 320.477 3.282 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC(C)=C(C)C)cc1C ZINC001268659329 1084922617 /nfs/dbraw/zinc/92/26/17/1084922617.db2.gz OQYHDYVWZFORLH-MRXNPFEDSA-N 1 0 318.461 3.344 20 10 DGCDRO CCC(C)(CC)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268673933 1084934113 /nfs/dbraw/zinc/93/41/13/1084934113.db2.gz HYAYWABQYHJLJO-OAHLLOKOSA-N 1 0 320.477 3.424 20 10 DGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)C2(C)CCC2)cc1C ZINC001268812148 1085059934 /nfs/dbraw/zinc/05/99/34/1085059934.db2.gz RSKVMCZHTPMKDQ-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC001474444697 1126204440 /nfs/dbraw/zinc/20/44/40/1126204440.db2.gz OEQVRKAUAKWAFV-INIZCTEOSA-N 1 0 319.832 3.356 20 10 DGCDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001474651974 1126204756 /nfs/dbraw/zinc/20/47/56/1126204756.db2.gz GCMKCTMFYBYKPE-KRWDZBQOSA-N 1 0 323.795 3.268 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC001658866697 1126263278 /nfs/dbraw/zinc/26/32/78/1126263278.db2.gz IXEHKPRQZCJCOM-INIZCTEOSA-N 1 0 319.832 3.356 20 10 DGCDRO CCC1(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001271093619 1086286201 /nfs/dbraw/zinc/28/62/01/1086286201.db2.gz QJERCEXQQOHYJC-OAHLLOKOSA-N 1 0 318.461 3.130 20 10 DGCDRO CO[C@@](C)(C[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000691490848 1088500749 /nfs/dbraw/zinc/50/07/49/1088500749.db2.gz YKDNWERHYZLHPJ-AWEZNQCLSA-N 1 0 314.223 3.059 20 10 DGCDRO Nc1ccc(N(c2ccc(Cl)cc2N)C2CC[NH2+]CC2)cc1 ZINC001160288523 1088742407 /nfs/dbraw/zinc/74/24/07/1088742407.db2.gz FYQCVLVESGAGFE-UHFFFAOYSA-N 1 0 316.836 3.395 20 10 DGCDRO OC1(c2ccc(Nc3ccc4c(c3)CCCN4)cc2)CC[NH2+]CC1 ZINC001160374979 1088767141 /nfs/dbraw/zinc/76/71/41/1088767141.db2.gz HHRBPPPRQCKOEE-UHFFFAOYSA-N 1 0 323.440 3.359 20 10 DGCDRO Cc1cc(C)c(CNc2cc(N3CCCC3)nc(C)[nH+]2)c(O)c1 ZINC001160808612 1088975728 /nfs/dbraw/zinc/97/57/28/1088975728.db2.gz UZNLUBOEZCUOMF-UHFFFAOYSA-N 1 0 312.417 3.320 20 10 DGCDRO CC/C=C(/C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485128757 1089980786 /nfs/dbraw/zinc/98/07/86/1089980786.db2.gz RONGOGVUQIEVKW-RDDKRXPLSA-N 1 0 318.461 3.343 20 10 DGCDRO Cn1cncc1-c1cccc(N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC001162853344 1089992361 /nfs/dbraw/zinc/99/23/61/1089992361.db2.gz HXSIDKJQSRHEID-MRXNPFEDSA-N 1 0 304.397 3.109 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ncc2c(n1)C[NH2+]C2 ZINC001163486448 1090196961 /nfs/dbraw/zinc/19/69/61/1090196961.db2.gz IARYTPGGAYYVET-KRWDZBQOSA-N 1 0 324.428 3.138 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@]1(C)O ZINC001237121375 1090286177 /nfs/dbraw/zinc/28/61/77/1090286177.db2.gz LPLWUWCADXRFFB-BONVTDFDSA-N 1 0 301.789 3.168 20 10 DGCDRO CCC[C@@H](C)CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124613393 1090312283 /nfs/dbraw/zinc/31/22/83/1090312283.db2.gz NBETUYSFNLXFAY-CQSZACIVSA-N 1 0 306.450 3.036 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)C(C)(C)C2CC2)cc1C ZINC001164373349 1090416837 /nfs/dbraw/zinc/41/68/37/1090416837.db2.gz MDZULRMGOXDYHS-UHFFFAOYSA-N 1 0 318.461 3.036 20 10 DGCDRO Cc1cc2c(cc1N1C[C@@H](CC[NH3+])c3ccccc31)CC(=O)N2 ZINC001168547808 1090530651 /nfs/dbraw/zinc/53/06/51/1090530651.db2.gz IKWQBQSSPRKIMP-CYBMUJFWSA-N 1 0 307.397 3.074 20 10 DGCDRO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC001203550073 1090585337 /nfs/dbraw/zinc/58/53/37/1090585337.db2.gz GTXHHJNFUTWYES-HNNXBMFYSA-N 1 0 320.433 3.271 20 10 DGCDRO CCC[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001166209386 1090587728 /nfs/dbraw/zinc/58/77/28/1090587728.db2.gz NXHGXRZLVGHCFA-IAGOWNOFSA-N 1 0 318.461 3.036 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC(Oc2cccc(Cl)n2)CC1 ZINC001203558735 1090618066 /nfs/dbraw/zinc/61/80/66/1090618066.db2.gz ZDZWOFCXCJHOPW-UHFFFAOYSA-N 1 0 318.804 3.484 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000715708608 1090705683 /nfs/dbraw/zinc/70/56/83/1090705683.db2.gz JMIBOMSVZIPNLJ-UHFFFAOYSA-N 1 0 316.445 3.062 20 10 DGCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3ccccc3O)C2)c1 ZINC001203556454 1090755691 /nfs/dbraw/zinc/75/56/91/1090755691.db2.gz QKMXIVHSUWDOMI-SFHVURJKSA-N 1 0 313.397 3.444 20 10 DGCDRO O=C(C1CCCCC1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC001203558470 1090755816 /nfs/dbraw/zinc/75/58/16/1090755816.db2.gz IMJVWTXBBMYNNX-UHFFFAOYSA-N 1 0 316.445 3.007 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001203560846 1090756500 /nfs/dbraw/zinc/75/65/00/1090756500.db2.gz HRBOXULPFUUQTP-HNNXBMFYSA-N 1 0 320.433 3.224 20 10 DGCDRO C[NH+]1CCC2(C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC001203581966 1090761201 /nfs/dbraw/zinc/76/12/01/1090761201.db2.gz IXXCZYIGSOZGDW-UHFFFAOYSA-N 1 0 315.244 3.227 20 10 DGCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC001203584747 1090761821 /nfs/dbraw/zinc/76/18/21/1090761821.db2.gz FCZIBAAXQAJMAT-IINYFYTJSA-N 1 0 315.244 3.225 20 10 DGCDRO COc1cccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)c1O ZINC001203601734 1090765264 /nfs/dbraw/zinc/76/52/64/1090765264.db2.gz IVIJHEGEUFAWJT-MRXNPFEDSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cccc(C[NH+]2CCC(c3cccc(O)c3)CC2)c1O ZINC001203600218 1090765381 /nfs/dbraw/zinc/76/53/81/1090765381.db2.gz XVAJOGXOZBBFAF-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1cccc([C@H]2CC[N@H+](Cc3ccc(OC)cc3O)C2)c1 ZINC001203634501 1090770119 /nfs/dbraw/zinc/77/01/19/1090770119.db2.gz JHJKZXKBLHDFTK-HNNXBMFYSA-N 1 0 313.397 3.399 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203650972 1090773591 /nfs/dbraw/zinc/77/35/91/1090773591.db2.gz HLEMILXUEFFHHG-GFCCVEGCSA-N 1 0 311.809 3.211 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)cc1 ZINC001203933948 1090842342 /nfs/dbraw/zinc/84/23/42/1090842342.db2.gz IFGKNKBOXWPOLU-IBGZPJMESA-N 1 0 311.429 3.191 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001203936249 1090844792 /nfs/dbraw/zinc/84/47/92/1090844792.db2.gz FQKREPHDPKJFRJ-INIZCTEOSA-N 1 0 318.461 3.306 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@H]([N@H+](C)C3CC3)C2)cc1 ZINC001203946573 1090848669 /nfs/dbraw/zinc/84/86/69/1090848669.db2.gz WCGVBWFRWUOYJY-IBGZPJMESA-N 1 0 301.478 3.201 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@]1(C)O ZINC001204233591 1090930111 /nfs/dbraw/zinc/93/01/11/1090930111.db2.gz RWJAFLJZHGTVHL-YWZLYKJASA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCc3cnn(C)c3C2)c2ccccc21 ZINC001204240427 1090932751 /nfs/dbraw/zinc/93/27/51/1090932751.db2.gz SNGNHTFYFHSWRB-UHFFFAOYSA-N 1 0 320.440 3.198 20 10 DGCDRO COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(OC)c1C ZINC001204268583 1090936952 /nfs/dbraw/zinc/93/69/52/1090936952.db2.gz XHHRBHOZRFORQW-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO CCN(CC[NH+](CC)CC)Cc1ccc(N2CCCC2)cc1 ZINC001204327314 1090949191 /nfs/dbraw/zinc/94/91/91/1090949191.db2.gz QGZKKZPUWQDDMF-UHFFFAOYSA-N 1 0 303.494 3.451 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001204322968 1090949755 /nfs/dbraw/zinc/94/97/55/1090949755.db2.gz XBDRZIOCLRZPJJ-HXUWFJFHSA-N 1 0 313.489 3.347 20 10 DGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204323006 1090949821 /nfs/dbraw/zinc/94/98/21/1090949821.db2.gz YUWAJDYKVFIPNC-LJQANCHMSA-N 1 0 316.445 3.062 20 10 DGCDRO F[C@@H]1COC2(C1)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204328806 1090950602 /nfs/dbraw/zinc/95/06/02/1090950602.db2.gz OCDWECQHHIHPIM-KRWDZBQOSA-N 1 0 318.436 3.380 20 10 DGCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCCC3)cc2)C(C)(C)C1 ZINC001204329223 1090950646 /nfs/dbraw/zinc/95/06/46/1090950646.db2.gz HRYQFIHHDPASCA-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc(O)c1O ZINC001204346436 1090952810 /nfs/dbraw/zinc/95/28/10/1090952810.db2.gz PMDRNJJLNVHAIN-AWEZNQCLSA-N 1 0 317.360 3.235 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)c2ccccc2F)c1 ZINC001168712458 1090973218 /nfs/dbraw/zinc/97/32/18/1090973218.db2.gz LJLQQVDSZQUSMV-LLVKDONJSA-N 1 0 303.333 3.073 20 10 DGCDRO CC1([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)OCCO1 ZINC001204938168 1091067141 /nfs/dbraw/zinc/06/71/41/1091067141.db2.gz PFXIPRWYKZJFOZ-CYBMUJFWSA-N 1 0 311.809 3.021 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@]1(C)O ZINC001138215681 1091118586 /nfs/dbraw/zinc/11/85/86/1091118586.db2.gz OPBNGSXCUPNOOU-APWZRJJASA-N 1 0 302.462 3.270 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1O ZINC001138215524 1091118863 /nfs/dbraw/zinc/11/88/63/1091118863.db2.gz ILNLMRNRQPWFPZ-VQIMIIECSA-N 1 0 302.462 3.270 20 10 DGCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220600 1091119799 /nfs/dbraw/zinc/11/97/99/1091119799.db2.gz HQVDRDFXVJQNEQ-GOSISDBHSA-N 1 0 300.446 3.478 20 10 DGCDRO C[N@H+](Cc1ccccc1O)Cc1cc2c(cc1Cl)OCO2 ZINC001138245406 1091124927 /nfs/dbraw/zinc/12/49/27/1091124927.db2.gz ZHVMBZTZAFHPIN-UHFFFAOYSA-N 1 0 305.761 3.406 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138252741 1091126691 /nfs/dbraw/zinc/12/66/91/1091126691.db2.gz SLLCTGICYARBBD-GOSISDBHSA-N 1 0 300.402 3.014 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138258287 1091126976 /nfs/dbraw/zinc/12/69/76/1091126976.db2.gz OMNRRYDBUFVRCD-HNNXBMFYSA-N 1 0 314.429 3.262 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c(O)c1 ZINC001205238836 1091144512 /nfs/dbraw/zinc/14/45/12/1091144512.db2.gz XNSHZXHWSSXUGD-ZWKOTPCHSA-N 1 0 305.418 3.004 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CCC4(C[C@H](F)CO4)CC3)ccc21 ZINC001138356373 1091150097 /nfs/dbraw/zinc/15/00/97/1091150097.db2.gz NBOGTULYMGTJOC-KRWDZBQOSA-N 1 0 318.436 3.162 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)ccc21 ZINC001138355115 1091150892 /nfs/dbraw/zinc/15/08/92/1091150892.db2.gz HMEQYTRFLUHFFV-LJQANCHMSA-N 1 0 300.446 3.072 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](c4ccncc4)C3)ccc21 ZINC001138357073 1091151786 /nfs/dbraw/zinc/15/17/86/1091151786.db2.gz BWQHLPZJGYWHAX-LJQANCHMSA-N 1 0 307.441 3.454 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CCC4(CCOCC4)CC3)ccc21 ZINC001138357001 1091152784 /nfs/dbraw/zinc/15/27/84/1091152784.db2.gz XTMXVRHRATVJRL-UHFFFAOYSA-N 1 0 314.473 3.462 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c(OC)c1 ZINC001138386009 1091161040 /nfs/dbraw/zinc/16/10/40/1091161040.db2.gz DQWNIJUQEZHXLL-MAUKXSAKSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c(OC)c1 ZINC001138386185 1091161377 /nfs/dbraw/zinc/16/13/77/1091161377.db2.gz IVKRWZAKMNFNBK-MAUKXSAKSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CCOC)C(C)C)c(OC)c1 ZINC001138390191 1091163106 /nfs/dbraw/zinc/16/31/06/1091163106.db2.gz YNYFTNONPPDRCP-UHFFFAOYSA-N 1 0 308.466 3.398 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2OC)cc1C ZINC001205298570 1091171286 /nfs/dbraw/zinc/17/12/86/1091171286.db2.gz GLTQKQOBTMZWFL-BPQIPLTHSA-N 1 0 307.434 3.066 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2Cl)c(O)c1 ZINC001205312833 1091180244 /nfs/dbraw/zinc/18/02/44/1091180244.db2.gz YGCMFZNCBYXMRR-OAHLLOKOSA-N 1 0 318.804 3.060 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C(C)C)ccc2O)[C@]12CCCO2 ZINC001205320246 1091183834 /nfs/dbraw/zinc/18/38/34/1091183834.db2.gz FYYWQHHWHVSHDW-GUDVDZBRSA-N 1 0 319.445 3.332 20 10 DGCDRO FC1(F)CC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC001138495271 1091205158 /nfs/dbraw/zinc/20/51/58/1091205158.db2.gz GPXQZDDAYPVTHH-WBVHZDCISA-N 1 0 322.399 3.000 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(C(F)(F)F)cn1)CC2 ZINC001139016080 1091420046 /nfs/dbraw/zinc/42/00/46/1091420046.db2.gz IPVRMKBMUXLCTM-UHFFFAOYSA-N 1 0 308.303 3.364 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC001205967265 1091430479 /nfs/dbraw/zinc/43/04/79/1091430479.db2.gz KBXYUOVSXMTFBL-INIZCTEOSA-N 1 0 307.821 3.437 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001139124537 1091457004 /nfs/dbraw/zinc/45/70/04/1091457004.db2.gz BTWFWOOMRVRSOP-ZIAGYGMSSA-N 1 0 313.397 3.429 20 10 DGCDRO Cc1cc(O)c(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c(Cl)c1 ZINC001206039894 1091465150 /nfs/dbraw/zinc/46/51/50/1091465150.db2.gz LSDSDXUBULDXGQ-ZDUSSCGKSA-N 1 0 308.853 3.270 20 10 DGCDRO Cc1cc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)ccc1N(C)C ZINC001139669853 1091637501 /nfs/dbraw/zinc/63/75/01/1091637501.db2.gz BFMCKHBJYBGZIZ-OALUTQOASA-N 1 0 320.436 3.473 20 10 DGCDRO CCOC(=O)C[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CCCC1 ZINC001139674177 1091639699 /nfs/dbraw/zinc/63/96/99/1091639699.db2.gz TWIDOAHAWZQEOO-UHFFFAOYSA-N 1 0 318.461 3.369 20 10 DGCDRO CC(C)[NH+]1CCC(C[N@H+](C)Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139683422 1091641992 /nfs/dbraw/zinc/64/19/92/1091641992.db2.gz IXLDZHHDPOLSHX-UHFFFAOYSA-N 1 0 312.404 3.223 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1C ZINC001206516806 1091657840 /nfs/dbraw/zinc/65/78/40/1091657840.db2.gz FKOVNUNGUNEBRC-UHFFFAOYSA-N 1 0 319.788 3.430 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2cccc3ccccc32)c1 ZINC001206619665 1091691558 /nfs/dbraw/zinc/69/15/58/1091691558.db2.gz FMJLKWUKAJYRDC-HXUWFJFHSA-N 1 0 323.392 3.377 20 10 DGCDRO COc1ccc(F)c(C[NH2+]Cc2c(C)cc(OC)cc2O)c1 ZINC001206743875 1091720655 /nfs/dbraw/zinc/72/06/55/1091720655.db2.gz VKYDPWAPDVBSQC-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO CC(C)(C)OC(=O)O[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140057072 1091751598 /nfs/dbraw/zinc/75/15/98/1091751598.db2.gz ANMLGCYHQVDVJY-ZDUSSCGKSA-N 1 0 311.353 3.057 20 10 DGCDRO CC[N@H+](Cc1[nH]nc2ccc(OC)cc21)Cc1ccccc1O ZINC001140069120 1091758497 /nfs/dbraw/zinc/75/84/97/1091758497.db2.gz KCROAMOJRLYVKS-UHFFFAOYSA-N 1 0 311.385 3.299 20 10 DGCDRO CCCn1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c(C)n1 ZINC001203000458 1091762694 /nfs/dbraw/zinc/76/26/94/1091762694.db2.gz OXCGMVAGNPGIEE-CYBMUJFWSA-N 1 0 303.406 3.167 20 10 DGCDRO C[C@@]1(CF)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC001140099197 1091766772 /nfs/dbraw/zinc/76/67/72/1091766772.db2.gz ZQBFYMFRIOLXLX-ZDUSSCGKSA-N 1 0 302.187 3.336 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1O ZINC001140178684 1091791864 /nfs/dbraw/zinc/79/18/64/1091791864.db2.gz UQQRCQPPCMBMKM-ZIAGYGMSSA-N 1 0 317.351 3.144 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCN(c3ccccc3F)CC2)c1O ZINC001140179741 1091792032 /nfs/dbraw/zinc/79/20/32/1091792032.db2.gz NWIYZXCOSLYQLQ-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCC(Oc3ccncc3)CC2)c1O ZINC001140178203 1091792202 /nfs/dbraw/zinc/79/22/02/1091792202.db2.gz CHORKAHDUSNAOU-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCC(Oc3ccccn3)CC2)c1O ZINC001140179812 1091792529 /nfs/dbraw/zinc/79/25/29/1091792529.db2.gz PONASPRLEGKPFJ-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CC3(CCN3Cc3ccccc3)C2)c1O ZINC001140182721 1091793319 /nfs/dbraw/zinc/79/33/19/1091793319.db2.gz YEJVAYYRFXKDFU-UHFFFAOYSA-N 1 0 322.452 3.469 20 10 DGCDRO Cc1nnc(C2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)o1 ZINC001140184476 1091795445 /nfs/dbraw/zinc/79/54/45/1091795445.db2.gz VWPCAMUGRYIKHH-UHFFFAOYSA-N 1 0 301.390 3.080 20 10 DGCDRO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(C)cc1O ZINC001140201885 1091799273 /nfs/dbraw/zinc/79/92/73/1091799273.db2.gz FEGVPOQPYFYUBS-UHFFFAOYSA-N 1 0 313.397 3.369 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CC(F)(F)C1 ZINC001140285055 1091816623 /nfs/dbraw/zinc/81/66/23/1091816623.db2.gz BYJQHFDWULAKJW-UHFFFAOYSA-N 1 0 324.415 3.125 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001297004868 1091819073 /nfs/dbraw/zinc/81/90/73/1091819073.db2.gz BFYLBVOJVWCSJG-DLBZAZTESA-N 1 0 318.461 3.251 20 10 DGCDRO CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1c(O)cccc1Cl ZINC001140341597 1091834494 /nfs/dbraw/zinc/83/44/94/1091834494.db2.gz YQNULJSKZFHDJG-BXUZGUMPSA-N 1 0 311.809 3.209 20 10 DGCDRO CCc1noc(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC001140341944 1091834905 /nfs/dbraw/zinc/83/49/05/1091834905.db2.gz LTGHLXQBYUBKKY-UHFFFAOYSA-N 1 0 321.808 3.371 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001140464405 1091875428 /nfs/dbraw/zinc/87/54/28/1091875428.db2.gz OOIYMMWNSRXKOW-UHFFFAOYSA-N 1 0 317.820 3.153 20 10 DGCDRO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@H]12 ZINC001140463288 1091877160 /nfs/dbraw/zinc/87/71/60/1091877160.db2.gz YRHYTSPCUNUQGG-HOTGVXAUSA-N 1 0 313.784 3.458 20 10 DGCDRO Cc1ccc2c(n1)N(C)CCN(Cc1ccc(Cl)cc1O)C2 ZINC001140467651 1091878228 /nfs/dbraw/zinc/87/82/28/1091878228.db2.gz UCPNIZGWHMCREB-UHFFFAOYSA-N 1 0 317.820 3.201 20 10 DGCDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc(F)ccc1O ZINC001207208170 1091889446 /nfs/dbraw/zinc/88/94/46/1091889446.db2.gz FHIWHDSWQCHMEK-KRWDZBQOSA-N 1 0 323.795 3.268 20 10 DGCDRO CC(=O)N1CCCCC12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140620518 1091934398 /nfs/dbraw/zinc/93/43/98/1091934398.db2.gz RAOSHNLJZRRLBR-UHFFFAOYSA-N 1 0 316.445 3.068 20 10 DGCDRO CC(=O)c1ccc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC001140622740 1091934678 /nfs/dbraw/zinc/93/46/78/1091934678.db2.gz FIXUTOCBIGOKBJ-UHFFFAOYSA-N 1 0 324.424 3.225 20 10 DGCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140621592 1091934691 /nfs/dbraw/zinc/93/46/91/1091934691.db2.gz LWZKCDMTBZASDV-VQIMIIECSA-N 1 0 319.445 3.108 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1 ZINC001140620889 1091935344 /nfs/dbraw/zinc/93/53/44/1091935344.db2.gz FGYPFUCSSLQOAI-OALUTQOASA-N 1 0 308.425 3.159 20 10 DGCDRO Cc1ccc(O)c(C[NH+](CCOC(C)C)CCOC(C)C)c1 ZINC001140620919 1091935381 /nfs/dbraw/zinc/93/53/81/1091935381.db2.gz HFOLCWSMNQUJHE-UHFFFAOYSA-N 1 0 309.450 3.353 20 10 DGCDRO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140620242 1091935454 /nfs/dbraw/zinc/93/54/54/1091935454.db2.gz HSFVBBLUZGRTHC-LJQANCHMSA-N 1 0 316.445 3.068 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC12CCCC2 ZINC001140660381 1091949874 /nfs/dbraw/zinc/94/98/74/1091949874.db2.gz QEKZDVWGPRSIQE-UHFFFAOYSA-N 1 0 304.409 3.181 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001140663430 1091950205 /nfs/dbraw/zinc/95/02/05/1091950205.db2.gz DSTPHKIXIZAJIX-DNVCBOLYSA-N 1 0 318.436 3.427 20 10 DGCDRO C[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1F ZINC001140662124 1091950709 /nfs/dbraw/zinc/95/07/09/1091950709.db2.gz GHAFRWDUUBXASZ-UHFFFAOYSA-N 1 0 314.404 3.294 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1O ZINC001140747586 1091984781 /nfs/dbraw/zinc/98/47/81/1091984781.db2.gz FYMUPGFDGSVGPD-UHFFFAOYSA-N 1 0 300.402 3.104 20 10 DGCDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(O)c(C)c1O)CCC2 ZINC001140749972 1091985148 /nfs/dbraw/zinc/98/51/48/1091985148.db2.gz QLLJEUAMOGBGKZ-UHFFFAOYSA-N 1 0 313.397 3.363 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c(O)c1 ZINC001140850242 1092029220 /nfs/dbraw/zinc/02/92/20/1092029220.db2.gz HSZCAGSDEFKRBF-LJQANCHMSA-N 1 0 320.477 3.223 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)c(O)c1 ZINC001140850088 1092029670 /nfs/dbraw/zinc/02/96/70/1092029670.db2.gz CZCRVYYMOOLNBY-CQSZACIVSA-N 1 0 304.434 3.039 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCCO2)c(O)c1 ZINC001140855336 1092030318 /nfs/dbraw/zinc/03/03/18/1092030318.db2.gz VVDQHLACCLNECO-KRWDZBQOSA-N 1 0 306.450 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3ncsc3C2)c(O)c1 ZINC001140856304 1092031136 /nfs/dbraw/zinc/03/11/36/1092031136.db2.gz WUSQJCOQLUBXTD-UHFFFAOYSA-N 1 0 317.458 3.253 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH+](CC)CC)C2)c(O)c1 ZINC001140856238 1092031424 /nfs/dbraw/zinc/03/14/24/1092031424.db2.gz UUYJCGSLPNSEHS-GOSISDBHSA-N 1 0 319.493 3.155 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC001140855401 1092031485 /nfs/dbraw/zinc/03/14/85/1092031485.db2.gz XYTQFFOONXEHBD-MRXNPFEDSA-N 1 0 310.388 3.470 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(C)=O)CC2)c(O)c1 ZINC001140855467 1092031912 /nfs/dbraw/zinc/03/19/12/1092031912.db2.gz AEVKQIFVBBSQMT-UHFFFAOYSA-N 1 0 304.434 3.039 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@H]([N@H+](C)C(C)C)C2)c(O)c1 ZINC001140857260 1092033724 /nfs/dbraw/zinc/03/37/24/1092033724.db2.gz NUSAHNYBGCWCRC-SFHVURJKSA-N 1 0 319.493 3.153 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207627465 1092048636 /nfs/dbraw/zinc/04/86/36/1092048636.db2.gz ZGPBQDWWXBKCPS-OTWHNJEPSA-N 1 0 312.457 3.167 20 10 DGCDRO CN(C)c1ccc(CN2CCc3cnccc3C2)c(Cl)c1 ZINC001140921768 1092062634 /nfs/dbraw/zinc/06/26/34/1092062634.db2.gz PBFGYAMDTJCDRJ-UHFFFAOYSA-N 1 0 301.821 3.359 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001140921763 1092062893 /nfs/dbraw/zinc/06/28/93/1092062893.db2.gz OXHDJEULWBTTTL-YOEHRIQHSA-N 1 0 308.853 3.407 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c(Cl)c1 ZINC001140924604 1092065346 /nfs/dbraw/zinc/06/53/46/1092065346.db2.gz RTGFIXVDNHSCKM-UHFFFAOYSA-N 1 0 308.853 3.409 20 10 DGCDRO CCN(CC[NH+]1CCCC1)Cc1ccc(N(C)C)cc1Cl ZINC001140923451 1092065546 /nfs/dbraw/zinc/06/55/46/1092065546.db2.gz AZEGCLKFWQQABI-UHFFFAOYSA-N 1 0 309.885 3.324 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCc2cccnc2)c(Cl)c1 ZINC001140924648 1092065738 /nfs/dbraw/zinc/06/57/38/1092065738.db2.gz KHIXWNAXERQNJD-UHFFFAOYSA-N 1 0 303.837 3.476 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@H]([N@H+](C)C3CC3)C2)c(Cl)c1 ZINC001140926758 1092067037 /nfs/dbraw/zinc/06/70/37/1092067037.db2.gz UGQKUHHFZUGMBT-INIZCTEOSA-N 1 0 307.869 3.075 20 10 DGCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926799 1092067733 /nfs/dbraw/zinc/06/77/33/1092067733.db2.gz VHBPKQANCBXOLF-MRXNPFEDSA-N 1 0 309.885 3.321 20 10 DGCDRO Cc1ccc(C[NH+](CCOC(C)C)CCOC(C)C)c(O)c1 ZINC001140949813 1092074298 /nfs/dbraw/zinc/07/42/98/1092074298.db2.gz MAAAEXAIEVBJIW-UHFFFAOYSA-N 1 0 309.450 3.353 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(Cc3ccccc3F)CC2)c(O)c1 ZINC001140949497 1092074830 /nfs/dbraw/zinc/07/48/30/1092074830.db2.gz CBISJEIDVSCKQJ-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c(O)c1 ZINC001140950058 1092077102 /nfs/dbraw/zinc/07/71/02/1092077102.db2.gz SUGFQYANZAEVIK-UHFFFAOYSA-N 1 0 310.441 3.409 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c(O)c1 ZINC001140957491 1092079625 /nfs/dbraw/zinc/07/96/25/1092079625.db2.gz BGELZNNPKXVNQE-HNNXBMFYSA-N 1 0 305.418 3.397 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c(O)c1 ZINC001140954244 1092080177 /nfs/dbraw/zinc/08/01/77/1092080177.db2.gz NUPJVFQTANBSIH-KRWDZBQOSA-N 1 0 310.397 3.304 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)c(O)c1 ZINC001140958372 1092082689 /nfs/dbraw/zinc/08/26/89/1092082689.db2.gz ZOHOITORIGXDBZ-IBGZPJMESA-N 1 0 308.425 3.116 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2c(O)cc(OC)cc2OC)cc1 ZINC001141026523 1092111509 /nfs/dbraw/zinc/11/15/09/1092111509.db2.gz UGKVKMMUNNVFLK-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO C[N@H+](CCc1ccccn1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074918 1092129165 /nfs/dbraw/zinc/12/91/65/1092129165.db2.gz WWXUHWCCQGYHHB-UHFFFAOYSA-N 1 0 321.468 3.455 20 10 DGCDRO c1c(C[N@@H+]2CC[C@]3(CCCO3)C2)cc2c3c1CCCN3CCC2 ZINC001141075602 1092129550 /nfs/dbraw/zinc/12/95/50/1092129550.db2.gz UJMMIWCGRMQJHA-HXUWFJFHSA-N 1 0 312.457 3.140 20 10 DGCDRO C[N@H+](CCc1ccncc1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076595 1092129681 /nfs/dbraw/zinc/12/96/81/1092129681.db2.gz WPCPEXJBHOIMAA-UHFFFAOYSA-N 1 0 321.468 3.455 20 10 DGCDRO c1c(C[N@@H+]2CC[C@@]3(CCCO3)C2)cc2c3c1CCCN3CCC2 ZINC001141075601 1092130136 /nfs/dbraw/zinc/13/01/36/1092130136.db2.gz UJMMIWCGRMQJHA-FQEVSTJZSA-N 1 0 312.457 3.140 20 10 DGCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078364 1092131029 /nfs/dbraw/zinc/13/10/29/1092131029.db2.gz UJVMLLPWBFGMSP-LJQANCHMSA-N 1 0 312.457 3.186 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCc4sccc4C3)ccc21 ZINC001141142456 1092149009 /nfs/dbraw/zinc/14/90/09/1092149009.db2.gz PXRSCXIQZOZYHC-UHFFFAOYSA-N 1 0 300.427 3.135 20 10 DGCDRO CN1CCOc2cc(C[N@H+](C)CCc3cccs3)ccc21 ZINC001141143428 1092150722 /nfs/dbraw/zinc/15/07/22/1092150722.db2.gz YLBUVAGHGMLLEA-UHFFFAOYSA-N 1 0 302.443 3.251 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC3(Cc4ccccc4O3)CC2)c1 ZINC001141159286 1092155710 /nfs/dbraw/zinc/15/57/10/1092155710.db2.gz CESBLHTVRXPTLB-UHFFFAOYSA-N 1 0 311.381 3.068 20 10 DGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H](Sc3ccncc3)C2)c1 ZINC001141159841 1092156377 /nfs/dbraw/zinc/15/63/77/1092156377.db2.gz MRDAYJBWIMREIN-MRXNPFEDSA-N 1 0 316.426 3.250 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CC3(C)CCOCC3)CC2)cc1 ZINC001208078252 1092190203 /nfs/dbraw/zinc/19/02/03/1092190203.db2.gz MAGOYVXUCJEIJF-UHFFFAOYSA-N 1 0 318.461 3.024 20 10 DGCDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001168967489 1092468484 /nfs/dbraw/zinc/46/84/84/1092468484.db2.gz QCWLRECBUFMSFF-DLBZAZTESA-N 1 0 317.433 3.212 20 10 DGCDRO Cc1cc(C)c(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)n1 ZINC001142469261 1092484807 /nfs/dbraw/zinc/48/48/07/1092484807.db2.gz FGCWKDNQSPIKJR-UHFFFAOYSA-N 1 0 323.440 3.319 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001142521019 1092494948 /nfs/dbraw/zinc/49/49/48/1092494948.db2.gz UPUIEHFLNVVRDT-AWEZNQCLSA-N 1 0 310.388 3.121 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@H](C)C(F)(F)F)CC2)cc1 ZINC001208902022 1092575812 /nfs/dbraw/zinc/57/58/12/1092575812.db2.gz PYAJHLXJCPBMQS-ZDUSSCGKSA-N 1 0 316.367 3.406 20 10 DGCDRO CC(C)(C)c1cccc(CN2CC[C@H]([NH+]3CCCC3)C2)c1O ZINC001143110591 1092616585 /nfs/dbraw/zinc/61/65/85/1092616585.db2.gz KOPNBNPUKFSEJJ-INIZCTEOSA-N 1 0 302.462 3.360 20 10 DGCDRO CC(C)(C)c1cccc(C[NH+]2CCC3(CCC(=O)O3)CC2)c1O ZINC001143111030 1092617052 /nfs/dbraw/zinc/61/70/52/1092617052.db2.gz URXNCUFUDNQVMM-UHFFFAOYSA-N 1 0 317.429 3.361 20 10 DGCDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143116495 1092618786 /nfs/dbraw/zinc/61/87/86/1092618786.db2.gz FAVFONNXKXEDKJ-IVMMDQJWSA-N 1 0 317.429 3.216 20 10 DGCDRO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c(N)n1 ZINC001143203672 1092633737 /nfs/dbraw/zinc/63/37/37/1092633737.db2.gz LREPMTOTDBLZCI-UHFFFAOYSA-N 1 0 310.445 3.204 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCOC(=O)c2ccccc2)cc1 ZINC001209049137 1092634858 /nfs/dbraw/zinc/63/48/58/1092634858.db2.gz WGXPEIRVIIQGML-UHFFFAOYSA-N 1 0 312.413 3.041 20 10 DGCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001169449913 1092688254 /nfs/dbraw/zinc/68/82/54/1092688254.db2.gz XLWAZEIOPWFMRH-CABCVRRESA-N 1 0 305.466 3.050 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210227303 1093085403 /nfs/dbraw/zinc/08/54/03/1093085403.db2.gz MTOIJCPLGOOBLW-HNNXBMFYSA-N 1 0 320.795 3.331 20 10 DGCDRO Oc1ccc(OC(F)(F)F)cc1Nc1cc[nH+]c2c1CCC2 ZINC001214375695 1093763837 /nfs/dbraw/zinc/76/38/37/1093763837.db2.gz MSICVCFHHFSSCZ-UHFFFAOYSA-N 1 0 310.275 3.340 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000179531116 1093795130 /nfs/dbraw/zinc/79/51/30/1093795130.db2.gz BWHVQUXLHCLVKS-UHFFFAOYSA-N 1 0 321.424 3.499 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000179942984 1093823736 /nfs/dbraw/zinc/82/37/36/1093823736.db2.gz AZVPSDJAIOAMBE-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO COc1ccc(CNc2cccc(C[NH+](C)C)c2)c(O)c1OC ZINC001120020879 1094350273 /nfs/dbraw/zinc/35/02/73/1094350273.db2.gz VOPRNTCARZXZKD-UHFFFAOYSA-N 1 0 316.401 3.083 20 10 DGCDRO Cc1csc(C[C@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)n1 ZINC001120269242 1094398546 /nfs/dbraw/zinc/39/85/46/1094398546.db2.gz PBCJOTUVJTZANY-OAHLLOKOSA-N 1 0 301.459 3.488 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC001120371343 1094416121 /nfs/dbraw/zinc/41/61/21/1094416121.db2.gz WCWFYEBORWEZHP-CQSZACIVSA-N 1 0 309.413 3.246 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCF)cc1C ZINC001135212377 1094452548 /nfs/dbraw/zinc/45/25/48/1094452548.db2.gz WIFCQPZLULORNF-LSDHHAIUSA-N 1 0 324.440 3.126 20 10 DGCDRO C[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1cccc(F)c1 ZINC001218191825 1094651491 /nfs/dbraw/zinc/65/14/91/1094651491.db2.gz ILJGWHGXMAMXCO-AWEZNQCLSA-N 1 0 300.377 3.375 20 10 DGCDRO C[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1ccc(F)cc1 ZINC001218194979 1094653189 /nfs/dbraw/zinc/65/31/89/1094653189.db2.gz CXPQLDXCUVMVQK-AWEZNQCLSA-N 1 0 300.377 3.375 20 10 DGCDRO COc1ccc([C@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001218294850 1094701230 /nfs/dbraw/zinc/70/12/30/1094701230.db2.gz PERCKJCMUIQLQP-HNNXBMFYSA-N 1 0 312.413 3.245 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cccc(F)c2F)c(O)c1OC ZINC001336715941 1094706964 /nfs/dbraw/zinc/70/69/64/1094706964.db2.gz AWRFWRNHGOSQHX-UHFFFAOYSA-N 1 0 323.339 3.020 20 10 DGCDRO CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001337042817 1094827691 /nfs/dbraw/zinc/82/76/91/1094827691.db2.gz SMUULXJABLAQNB-OAHLLOKOSA-N 1 0 304.434 3.059 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)c(O)c1 ZINC001170903256 1094900612 /nfs/dbraw/zinc/90/06/12/1094900612.db2.gz VOTZRFGMMHUMGK-ZDUSSCGKSA-N 1 0 303.789 3.398 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(Br)cc2O)CCCO1 ZINC000691678553 1094947834 /nfs/dbraw/zinc/94/78/34/1094947834.db2.gz PDCQVLZLBIBZPP-UHFFFAOYSA-N 1 0 314.223 3.156 20 10 DGCDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@H]1CCCCO1 ZINC000691674547 1094948762 /nfs/dbraw/zinc/94/87/62/1094948762.db2.gz GBURVNJAGJUAFK-CYBMUJFWSA-N 1 0 314.223 3.156 20 10 DGCDRO C[C@@H]([NH3+])C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001219204258 1094952210 /nfs/dbraw/zinc/95/22/10/1094952210.db2.gz WUXMGDLZUBRNQB-ISZGNANSSA-N 1 0 309.413 3.209 20 10 DGCDRO CCc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(O)c1 ZINC001276804435 1094970132 /nfs/dbraw/zinc/97/01/32/1094970132.db2.gz DYTFNZSCVORDOO-UHFFFAOYSA-N 1 0 302.462 3.262 20 10 DGCDRO [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000311939117 1094970452 /nfs/dbraw/zinc/97/04/52/1094970452.db2.gz HMOMPIBISHEPLJ-JTQLQIEISA-N 1 0 303.233 3.260 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313354082 1095005837 /nfs/dbraw/zinc/00/58/37/1095005837.db2.gz PXHZVYXYXPIMEU-MRXNPFEDSA-N 1 0 302.805 3.192 20 10 DGCDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2ccc(N)cc2)C1 ZINC001337837601 1095112332 /nfs/dbraw/zinc/11/23/32/1095112332.db2.gz CWAAGJTYOMEPFN-HXUWFJFHSA-N 1 0 309.457 3.018 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3c(Cl)cccc3C2)cc1O ZINC001171025573 1095151052 /nfs/dbraw/zinc/15/10/52/1095151052.db2.gz NLDPXFSLQOYJLF-ZDUSSCGKSA-N 1 0 303.789 3.398 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2OCCc3ccccc32)c1O ZINC001338249566 1095238319 /nfs/dbraw/zinc/23/83/19/1095238319.db2.gz AMJZPKHAEFFMCW-SFHVURJKSA-N 1 0 313.397 3.113 20 10 DGCDRO [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161077 1095466167 /nfs/dbraw/zinc/46/61/67/1095466167.db2.gz KOVZVFPTGKMDDM-SFHVURJKSA-N 1 0 306.425 3.277 20 10 DGCDRO [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222162103 1095469143 /nfs/dbraw/zinc/46/91/43/1095469143.db2.gz YEYHNVKFMJBSHL-SFHVURJKSA-N 1 0 324.415 3.416 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@@]12CCC[NH2+]C2 ZINC001222197896 1095487843 /nfs/dbraw/zinc/48/78/43/1095487843.db2.gz PIBAVWHSKXDLOW-CQSZACIVSA-N 1 0 301.217 3.027 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222252874 1095512427 /nfs/dbraw/zinc/51/24/27/1095512427.db2.gz LIJPAKBIYWFVEX-IBGZPJMESA-N 1 0 302.462 3.408 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@@]3(CCC[NH2+]C3)C2)cc1Cl ZINC001222270839 1095523416 /nfs/dbraw/zinc/52/34/16/1095523416.db2.gz AGYBMEBTVRTZKJ-QGZVFWFLSA-N 1 0 308.853 3.320 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@]3(CCC[NH2+]C3)C2)cc1Cl ZINC001222270838 1095524015 /nfs/dbraw/zinc/52/40/15/1095524015.db2.gz AGYBMEBTVRTZKJ-KRWDZBQOSA-N 1 0 308.853 3.320 20 10 DGCDRO Cc1cc(O)c(CN2CCC3(CCCC[NH2+]3)CC2)cc1Cl ZINC001222298548 1095537601 /nfs/dbraw/zinc/53/76/01/1095537601.db2.gz ZOQSBFZOWNTNBE-UHFFFAOYSA-N 1 0 308.853 3.462 20 10 DGCDRO CN1CCN(c2ccc(C[N@H+](C)C3CCCCC3)cc2F)CC1 ZINC001116439199 1095550405 /nfs/dbraw/zinc/55/04/05/1095550405.db2.gz MJZAJCLWNTXLOH-UHFFFAOYSA-N 1 0 319.468 3.342 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346832 1095566407 /nfs/dbraw/zinc/56/64/07/1095566407.db2.gz UGPPHSKBHMHMDK-FQEVSTJZSA-N 1 0 313.489 3.395 20 10 DGCDRO CN1CCCc2cc(CN3CCC[C@]4(CCCC[NH2+]4)C3)ccc21 ZINC001222389656 1095586981 /nfs/dbraw/zinc/58/69/81/1095586981.db2.gz DYFKMVAGRNUTGL-HXUWFJFHSA-N 1 0 313.489 3.177 20 10 DGCDRO Oc1c(CN2CC[C@]3(C2)CCCC[NH2+]3)cccc1C(F)(F)F ZINC001222436160 1095614817 /nfs/dbraw/zinc/61/48/17/1095614817.db2.gz WELKDJAOCAEWJB-HNNXBMFYSA-N 1 0 314.351 3.129 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139670179 1095619406 /nfs/dbraw/zinc/61/94/06/1095619406.db2.gz YWJDKJFFHVPBAD-MRXNPFEDSA-N 1 0 318.461 3.226 20 10 DGCDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116719508 1095642449 /nfs/dbraw/zinc/64/24/49/1095642449.db2.gz HWYDGLSPXFCNAJ-GPMSIDNRSA-N 1 0 302.462 3.268 20 10 DGCDRO CC(C)C[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144500621 1095689658 /nfs/dbraw/zinc/68/96/58/1095689658.db2.gz WVQLVKCZFOXFTA-UHFFFAOYSA-N 1 0 301.386 3.462 20 10 DGCDRO C[N@H+](Cc1cccc(-c2cncnc2)c1)Cc1ccccc1O ZINC001137771912 1095739126 /nfs/dbraw/zinc/73/91/26/1095739126.db2.gz ZUPLTYVLBYRDJR-UHFFFAOYSA-N 1 0 305.381 3.481 20 10 DGCDRO Oc1cccc(F)c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC001137831567 1095755598 /nfs/dbraw/zinc/75/55/98/1095755598.db2.gz FMDSIAGWJPQXSS-UHFFFAOYSA-N 1 0 306.425 3.229 20 10 DGCDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1F ZINC001137839699 1095760956 /nfs/dbraw/zinc/76/09/56/1095760956.db2.gz GYZFRYWNRVHQED-GFCCVEGCSA-N 1 0 309.381 3.228 20 10 DGCDRO CO[C@H]1CN(Cc2cc(C)n(-c3ccccc3)c2C)C[C@@H]1F ZINC001137853980 1095767237 /nfs/dbraw/zinc/76/72/37/1095767237.db2.gz CUGVBHDELZJMJR-ROUUACIJSA-N 1 0 302.393 3.263 20 10 DGCDRO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001117720974 1095813981 /nfs/dbraw/zinc/81/39/81/1095813981.db2.gz IIFPPHMNXYCZBK-KGLIPLIRSA-N 1 0 300.805 3.147 20 10 DGCDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001117720973 1095814544 /nfs/dbraw/zinc/81/45/44/1095814544.db2.gz IIFPPHMNXYCZBK-KBPBESRZSA-N 1 0 300.805 3.147 20 10 DGCDRO COc1ccc(N2CC3(C2)C[NH+](CCCC(F)(F)F)C3)cc1 ZINC001276924894 1096077699 /nfs/dbraw/zinc/07/76/99/1096077699.db2.gz RAMOWZGOWUTWAJ-UHFFFAOYSA-N 1 0 314.351 3.160 20 10 DGCDRO CC[C@H](CC(C)C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001147037824 1096151110 /nfs/dbraw/zinc/15/11/10/1096151110.db2.gz GDZRKJCXQMCDBG-QGZVFWFLSA-N 1 0 320.477 3.282 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC001119606942 1096231673 /nfs/dbraw/zinc/23/16/73/1096231673.db2.gz UXOKISUAXULVOH-VCBZYWHSSA-N 1 0 319.445 3.423 20 10 DGCDRO COc1ccc(N2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)cc1F ZINC001277009533 1096324159 /nfs/dbraw/zinc/32/41/59/1096324159.db2.gz JIOGQYOLJFYNCQ-SUMWQHHRSA-N 1 0 304.409 3.287 20 10 DGCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)cc1F ZINC001277009843 1096325366 /nfs/dbraw/zinc/32/53/66/1096325366.db2.gz NFTPMZVISVLEID-IRXDYDNUSA-N 1 0 304.409 3.430 20 10 DGCDRO Oc1cccc(C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)c1O ZINC001171349507 1096519417 /nfs/dbraw/zinc/51/94/17/1096519417.db2.gz KAJGRNBPRWGNSQ-CYBMUJFWSA-N 1 0 305.324 3.023 20 10 DGCDRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001171913831 1097000215 /nfs/dbraw/zinc/00/02/15/1097000215.db2.gz DZFJARWREVQZQM-UHFFFAOYSA-N 1 0 321.417 3.088 20 10 DGCDRO CC(C)COCC[C@@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172484854 1097152584 /nfs/dbraw/zinc/15/25/84/1097152584.db2.gz RXXGILFHHOCDPM-CQSZACIVSA-N 1 0 307.434 3.297 20 10 DGCDRO CC(C)OCC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001172439455 1097153995 /nfs/dbraw/zinc/15/39/95/1097153995.db2.gz DTPNZDDZZKINCI-MRXNPFEDSA-N 1 0 320.477 3.150 20 10 DGCDRO CC(C)OC(=O)CC[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001172762724 1097234110 /nfs/dbraw/zinc/23/41/10/1097234110.db2.gz NYFOSMLJNOWJMB-HNNXBMFYSA-N 1 0 306.450 3.305 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001172775558 1097238636 /nfs/dbraw/zinc/23/86/36/1097238636.db2.gz ARVHPDSXEXTYKG-HZPDHXFCSA-N 1 0 305.418 3.215 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC001172954162 1097301801 /nfs/dbraw/zinc/30/18/01/1097301801.db2.gz SJHQFBKXOHJFFM-IEBWSBKVSA-N 1 0 318.461 3.165 20 10 DGCDRO CCc1ccc(C[C@H](C)[NH2+]CC(=O)c2ccc(O)c(O)c2)cc1 ZINC001173245276 1097383096 /nfs/dbraw/zinc/38/30/96/1097383096.db2.gz SGDFUEZTRFKXQB-ZDUSSCGKSA-N 1 0 313.397 3.064 20 10 DGCDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001173647828 1097491185 /nfs/dbraw/zinc/49/11/85/1097491185.db2.gz CCTDMENUCJMIAF-GJZGRUSLSA-N 1 0 305.418 3.221 20 10 DGCDRO Cc1c[nH+]ccc1Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001174537832 1097747876 /nfs/dbraw/zinc/74/78/76/1097747876.db2.gz RPVJUVNFZNNTAE-UHFFFAOYSA-N 1 0 314.344 3.331 20 10 DGCDRO COc1ccc(Br)c(C[N@@H+]2CC[C@H](C)C2)c1O ZINC001231550225 1097777991 /nfs/dbraw/zinc/77/79/91/1097777991.db2.gz KRWJZKBWTKULTA-VIFPVBQESA-N 1 0 300.196 3.005 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001231590644 1097785491 /nfs/dbraw/zinc/78/54/91/1097785491.db2.gz CSNJECPIXMXEJO-IUODEOHRSA-N 1 0 317.351 3.226 20 10 DGCDRO Cc1cccc(N2CCC[N@H+](Cc3cccc(C)c3O)CC2)n1 ZINC001231593535 1097787470 /nfs/dbraw/zinc/78/74/70/1097787470.db2.gz JODHSVVQLPZJPD-UHFFFAOYSA-N 1 0 311.429 3.116 20 10 DGCDRO CCCc1noc(C2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC001231593708 1097787484 /nfs/dbraw/zinc/78/74/84/1097787484.db2.gz LIURLNOGDQKPLX-UHFFFAOYSA-N 1 0 315.417 3.416 20 10 DGCDRO Cc1cccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1O ZINC001231595395 1097788620 /nfs/dbraw/zinc/78/86/20/1097788620.db2.gz SCEVRBXXDNTGMM-ROUUACIJSA-N 1 0 308.425 3.269 20 10 DGCDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231842879 1097861031 /nfs/dbraw/zinc/86/10/31/1097861031.db2.gz XSCGTMTVFNCEHJ-INIZCTEOSA-N 1 0 318.461 3.089 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001231853747 1097865386 /nfs/dbraw/zinc/86/53/86/1097865386.db2.gz PUPQMRIDLXYSBX-GOSISDBHSA-N 1 0 311.429 3.493 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001231853748 1097865570 /nfs/dbraw/zinc/86/55/70/1097865570.db2.gz PUPQMRIDLXYSBX-SFHVURJKSA-N 1 0 311.429 3.493 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCCN(c3cccnc3)CC2)c(O)c1 ZINC001231850647 1097865884 /nfs/dbraw/zinc/86/58/84/1097865884.db2.gz SHHKYOWQWHZENT-UHFFFAOYSA-N 1 0 311.429 3.116 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CC3(C2)C[C@H](F)CS3)cc1Cl ZINC001231870147 1097869576 /nfs/dbraw/zinc/86/95/76/1097869576.db2.gz LOMIWVZRSFQUNL-NSHDSACASA-N 1 0 301.814 3.383 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@](O)(CF)CC2)cc1Cl ZINC001231868651 1097870724 /nfs/dbraw/zinc/87/07/24/1097870724.db2.gz VUEORGLBAWATQU-HNNXBMFYSA-N 1 0 301.789 3.041 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1Cl ZINC001231870686 1097872508 /nfs/dbraw/zinc/87/25/08/1097872508.db2.gz OGUXDDGTFUWETO-OAHLLOKOSA-N 1 0 318.804 3.402 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)[C@@H]1C ZINC001231880288 1097877570 /nfs/dbraw/zinc/87/75/70/1097877570.db2.gz BGAYKVZEGMRMSW-CJNGLKHVSA-N 1 0 313.397 3.319 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1Cl ZINC001232264073 1097985854 /nfs/dbraw/zinc/98/58/54/1097985854.db2.gz DUERTRKFVMRDDB-LBPRGKRZSA-N 1 0 318.804 3.439 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1Cl ZINC001232267059 1097987086 /nfs/dbraw/zinc/98/70/86/1097987086.db2.gz IPMKCHWRLAXUNB-LBPRGKRZSA-N 1 0 304.777 3.136 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc1Cl ZINC001232266382 1097987097 /nfs/dbraw/zinc/98/70/97/1097987097.db2.gz MXLOUPWVSZERSZ-ZBEGNZNMSA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1Cl ZINC001232270070 1097987835 /nfs/dbraw/zinc/98/78/35/1097987835.db2.gz RWRKAYNBRUTCOT-CQSZACIVSA-N 1 0 324.852 3.114 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1Cl ZINC001232268344 1097988408 /nfs/dbraw/zinc/98/84/08/1097988408.db2.gz OMZGNYOMFYAPCD-AWEZNQCLSA-N 1 0 304.777 3.483 20 10 DGCDRO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2O)cn1 ZINC001232841069 1098150332 /nfs/dbraw/zinc/15/03/32/1098150332.db2.gz RKVBICJAYAYPLJ-SFHVURJKSA-N 1 0 311.429 3.499 20 10 DGCDRO C[NH+]1CCC(C2CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)CC1 ZINC001233077308 1098219682 /nfs/dbraw/zinc/21/96/82/1098219682.db2.gz IEPISXSMVBCNHL-UHFFFAOYSA-N 1 0 324.415 3.224 20 10 DGCDRO CC[C@@H](C)[N@H+](C)Cc1cc(Br)c(OC)cc1O ZINC001233137274 1098235515 /nfs/dbraw/zinc/23/55/15/1098235515.db2.gz INNFHFMEVHQPDT-SECBINFHSA-N 1 0 302.212 3.394 20 10 DGCDRO CCC[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001277770881 1098239394 /nfs/dbraw/zinc/23/93/94/1098239394.db2.gz JJSDCDXYFOMJIW-HOCLYGCPSA-N 1 0 320.477 3.376 20 10 DGCDRO CC(=O)C[N@@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC001233193854 1098249347 /nfs/dbraw/zinc/24/93/47/1098249347.db2.gz GXVGDJGTNLFYDL-UHFFFAOYSA-N 1 0 322.202 3.329 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CCC([NH+]3CCC3)CC2)c1 ZINC001233287372 1098276653 /nfs/dbraw/zinc/27/66/53/1098276653.db2.gz MVPUEJKOILHTJT-UHFFFAOYSA-N 1 0 302.462 3.360 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC3(CCOC3=O)CC2)c1 ZINC001233286613 1098276809 /nfs/dbraw/zinc/27/68/09/1098276809.db2.gz BBDWAATZHXPCLS-UHFFFAOYSA-N 1 0 317.429 3.219 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c1O ZINC001233287675 1098277572 /nfs/dbraw/zinc/27/75/72/1098277572.db2.gz CASBEPOUECGWID-BZNIZROVSA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1O ZINC001233288224 1098277679 /nfs/dbraw/zinc/27/76/79/1098277679.db2.gz CRCVIELVQRZICL-COPLHBTASA-N 1 0 311.809 3.054 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1O ZINC001233289761 1098278306 /nfs/dbraw/zinc/27/83/06/1098278306.db2.gz MXOXZQQDNYPZFU-CYBMUJFWSA-N 1 0 318.804 3.439 20 10 DGCDRO C[NH+](C)CCN(Cc1ccccc1)Cc1c(O)ccc(F)c1F ZINC001233331838 1098290186 /nfs/dbraw/zinc/29/01/86/1098290186.db2.gz MVMRPNVALSGRTP-UHFFFAOYSA-N 1 0 320.383 3.234 20 10 DGCDRO CC[NH+](CC)CCN(C)Cc1cccc(C(F)(F)F)c1O ZINC001233415998 1098322507 /nfs/dbraw/zinc/32/25/07/1098322507.db2.gz RXWQGNBCDDJSEP-UHFFFAOYSA-N 1 0 304.356 3.185 20 10 DGCDRO CC(C)[N@@H+]1CCN(Cc2cccc(C(F)(F)F)c2O)C[C@@H]1C ZINC001233419842 1098324890 /nfs/dbraw/zinc/32/48/90/1098324890.db2.gz OLMAACLGZCSVBX-LBPRGKRZSA-N 1 0 316.367 3.326 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001233454822 1098340107 /nfs/dbraw/zinc/34/01/07/1098340107.db2.gz LFFLMUGPHUGXBB-OAHLLOKOSA-N 1 0 315.335 3.414 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CCC([NH+]2CCC2)CC1 ZINC001233455516 1098342350 /nfs/dbraw/zinc/34/23/50/1098342350.db2.gz ODXUZGJZVFTAGU-UHFFFAOYSA-N 1 0 314.351 3.081 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)[C@@H](C)C1 ZINC001233456377 1098342436 /nfs/dbraw/zinc/34/24/36/1098342436.db2.gz URMPNWJSRXQRKI-GWCFXTLKSA-N 1 0 303.324 3.410 20 10 DGCDRO C[N@H+](Cc1cc(O)c(O)cc1O)C12CC3CC(CC(C3)C1)C2 ZINC001233485160 1098345533 /nfs/dbraw/zinc/34/55/33/1098345533.db2.gz LCFOQBYUDWIQQB-UHFFFAOYSA-N 1 0 303.402 3.204 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1O ZINC001233485703 1098347805 /nfs/dbraw/zinc/34/78/05/1098347805.db2.gz HRUDBCVVLCOJBI-CQSZACIVSA-N 1 0 317.410 3.094 20 10 DGCDRO CCN1CCc2cc(O[C@H]3[C@@H]4CCC[C@H]3C[N@@H+](C)C4)ccc21 ZINC001233601121 1098386859 /nfs/dbraw/zinc/38/68/59/1098386859.db2.gz HILOXQLGLAAGHD-MNZLEMJZSA-N 1 0 300.446 3.178 20 10 DGCDRO CO[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233760866 1098425159 /nfs/dbraw/zinc/42/51/59/1098425159.db2.gz MLCRCOVXDXBCJP-GFCCVEGCSA-N 1 0 319.323 3.292 20 10 DGCDRO Oc1c(C[NH+]2CCC3(CCO3)CC2)cccc1OC(F)(F)F ZINC001233761549 1098425358 /nfs/dbraw/zinc/42/53/58/1098425358.db2.gz VIKFKUVGHLVAOR-UHFFFAOYSA-N 1 0 317.307 3.046 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H](C)C2CC2)cc1C ZINC001177053525 1098468656 /nfs/dbraw/zinc/46/86/56/1098468656.db2.gz JRAVTMUCUZSQMI-AWEZNQCLSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC[C@@H]3C3CC3)c2c1 ZINC001234569873 1098603410 /nfs/dbraw/zinc/60/34/10/1098603410.db2.gz TTYXSZNZBOHMSK-GOSISDBHSA-N 1 0 313.397 3.165 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCCc2ccc(O)cc2)cc1F ZINC001177804521 1098619642 /nfs/dbraw/zinc/61/96/42/1098619642.db2.gz PTORVZDGPLPTDO-UHFFFAOYSA-N 1 0 320.383 3.459 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC001178108451 1098704808 /nfs/dbraw/zinc/70/48/08/1098704808.db2.gz ALIAXCBOODBVTE-BEFAXECRSA-N 1 0 301.478 3.105 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)C[C@@H]2CCOC2)ccc1OC ZINC001178152264 1098725226 /nfs/dbraw/zinc/72/52/26/1098725226.db2.gz ITCASMWLYLZBLS-HOCLYGCPSA-N 1 0 307.434 3.136 20 10 DGCDRO COCC[NH+](CCOC)Cc1cccc(-c2ccccc2)c1O ZINC001234989302 1098736041 /nfs/dbraw/zinc/73/60/41/1098736041.db2.gz CSGLFFKDSBADSI-UHFFFAOYSA-N 1 0 315.413 3.154 20 10 DGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001206319919 1098740835 /nfs/dbraw/zinc/74/08/35/1098740835.db2.gz FZLQIVARFGVTOT-MRXNPFEDSA-N 1 0 311.809 3.129 20 10 DGCDRO Cc1nnc(-c2ccc(C[N@@H+]3CCc4cccc(O)c4C3)cc2)o1 ZINC001235066836 1098781315 /nfs/dbraw/zinc/78/13/15/1098781315.db2.gz UOUPBKMYSMQFOA-UHFFFAOYSA-N 1 0 321.380 3.309 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235116151 1098816547 /nfs/dbraw/zinc/81/65/47/1098816547.db2.gz DSWPSRQNHLBIEL-IBGZPJMESA-N 1 0 302.462 3.408 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235127923 1098826530 /nfs/dbraw/zinc/82/65/30/1098826530.db2.gz BCTDUMJOUIFEFA-HNNXBMFYSA-N 1 0 315.244 3.417 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235160725 1098847063 /nfs/dbraw/zinc/84/70/63/1098847063.db2.gz QKVGLJBVHSILAW-MRXNPFEDSA-N 1 0 308.853 3.400 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](CO)Cc2ccccc2)cc1C ZINC001178509413 1098853543 /nfs/dbraw/zinc/85/35/43/1098853543.db2.gz IWAZYWVRVFLEDK-IBGZPJMESA-N 1 0 313.441 3.477 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235243724 1098915371 /nfs/dbraw/zinc/91/53/71/1098915371.db2.gz XSPOMJSXUWUEGU-INIZCTEOSA-N 1 0 308.853 3.400 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC001235258997 1098930993 /nfs/dbraw/zinc/93/09/93/1098930993.db2.gz UKLMBFSOCHLDOZ-WFASDCNBSA-N 1 0 308.853 3.137 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206371694 1099031350 /nfs/dbraw/zinc/03/13/50/1099031350.db2.gz UUKIUVOVNCUSOI-HNNXBMFYSA-N 1 0 300.805 3.007 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1F ZINC001179347836 1099064605 /nfs/dbraw/zinc/06/46/05/1099064605.db2.gz FWJRSTPAVSNGMR-QERJWTBHSA-N 1 0 318.436 3.185 20 10 DGCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235679439 1099122321 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COc1cc(O)c(C[N@@H+]2CCc3cc(N)ccc3C2)c(Cl)c1 ZINC001236105785 1099394048 /nfs/dbraw/zinc/39/40/48/1099394048.db2.gz NVBVZTXYDNSQDN-UHFFFAOYSA-N 1 0 318.804 3.195 20 10 DGCDRO CCCC[C@H]1CN(Cc2ccc(N(CC)CC)cc2O)CC[NH2+]1 ZINC001236136080 1099423027 /nfs/dbraw/zinc/42/30/27/1099423027.db2.gz DNOKMTFFSZLTBV-KRWDZBQOSA-N 1 0 319.493 3.202 20 10 DGCDRO CCCC[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)CC[NH2+]1 ZINC001236138853 1099424573 /nfs/dbraw/zinc/42/45/73/1099424573.db2.gz IMCCKDJNHFEKRF-GOSISDBHSA-N 1 0 301.478 3.033 20 10 DGCDRO CCCC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)CC[NH2+]1 ZINC001236141519 1099425973 /nfs/dbraw/zinc/42/59/73/1099425973.db2.gz JZNDEYKVLPUAHD-CQSZACIVSA-N 1 0 312.841 3.018 20 10 DGCDRO C[C@@H](C(=O)N(Cc1ccccc1)c1ccc(N)cc1)[NH+]1CCCC1 ZINC001180582071 1099459637 /nfs/dbraw/zinc/45/96/37/1099459637.db2.gz BRXZVSQQSJCNET-INIZCTEOSA-N 1 0 323.440 3.286 20 10 DGCDRO CN(Cc1ccc(C(F)(F)F)cc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216744 1099474311 /nfs/dbraw/zinc/47/43/11/1099474311.db2.gz MGPVWOLVLADABC-CHWSQXEVSA-N 1 0 302.340 3.113 20 10 DGCDRO CN(Cc1c(O)ccc(Cl)c1Cl)C1(C)CC[NH2+]CC1 ZINC001236227026 1099484342 /nfs/dbraw/zinc/48/43/42/1099484342.db2.gz XUOAYXHADZIBDT-UHFFFAOYSA-N 1 0 303.233 3.273 20 10 DGCDRO Oc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c(O)c1 ZINC001204278718 1099495990 /nfs/dbraw/zinc/49/59/90/1099495990.db2.gz JAGVYAUNCLWNCY-UHFFFAOYSA-N 1 0 318.804 3.073 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236242860 1099497461 /nfs/dbraw/zinc/49/74/61/1099497461.db2.gz ZPVMEBORYCLERF-LBPRGKRZSA-N 1 0 315.244 3.415 20 10 DGCDRO Oc1cccc(F)c1CN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236299701 1099521792 /nfs/dbraw/zinc/52/17/92/1099521792.db2.gz JUYGWHIMPAZRAE-UHFFFAOYSA-N 1 0 314.404 3.286 20 10 DGCDRO CCN(Cc1c(O)ccc(Cl)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236412112 1099585452 /nfs/dbraw/zinc/58/54/52/1099585452.db2.gz RBKLWURDLDUABU-SNVBAGLBSA-N 1 0 303.233 3.130 20 10 DGCDRO C[NH2+]C[C@H]1CCCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236421777 1099596421 /nfs/dbraw/zinc/59/64/21/1099596421.db2.gz MWGIIYZYGZFQQA-GOSISDBHSA-N 1 0 314.404 3.382 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC001236528766 1099663074 /nfs/dbraw/zinc/66/30/74/1099663074.db2.gz IXIVHEUEPXAQIK-QGZVFWFLSA-N 1 0 311.473 3.478 20 10 DGCDRO Oc1cc(C[NH+]2CCC3(CC3)CC2)c(O)cc1Br ZINC001236769614 1099776023 /nfs/dbraw/zinc/77/60/23/1099776023.db2.gz XGQBNPGERBAEOB-UHFFFAOYSA-N 1 0 312.207 3.236 20 10 DGCDRO CC1CC[NH+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236771450 1099776178 /nfs/dbraw/zinc/77/61/78/1099776178.db2.gz AQIQZDVMAZMHAH-UHFFFAOYSA-N 1 0 300.196 3.092 20 10 DGCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794257 1099788323 /nfs/dbraw/zinc/78/83/23/1099788323.db2.gz QZBLKAITBVGVGR-VHSXEESVSA-N 1 0 304.217 3.292 20 10 DGCDRO COCC1C[NH+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236792469 1099788920 /nfs/dbraw/zinc/78/89/20/1099788920.db2.gz MSJVMOGBGGTYOK-UHFFFAOYSA-N 1 0 313.397 3.049 20 10 DGCDRO CCc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001236794982 1099791660 /nfs/dbraw/zinc/79/16/60/1099791660.db2.gz YSNCPMZTMZZYTR-ZWKOTPCHSA-N 1 0 320.452 3.353 20 10 DGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(OC)cc1Cl ZINC001236797831 1099794607 /nfs/dbraw/zinc/79/46/07/1099794607.db2.gz BDFLLNCCHVUFQJ-LBPRGKRZSA-N 1 0 313.825 3.445 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC3(CCOCC3)CC2)c(O)c1 ZINC001236810362 1099801072 /nfs/dbraw/zinc/80/10/72/1099801072.db2.gz DTDHTZYDXOMQHV-UHFFFAOYSA-N 1 0 305.418 3.102 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2c(C)cc(OC)cc2O)c1 ZINC001236814162 1099803454 /nfs/dbraw/zinc/80/34/54/1099803454.db2.gz PUDNPCCJBOGBKO-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833173 1099819476 /nfs/dbraw/zinc/81/94/76/1099819476.db2.gz PEZZLIZKIPFKIZ-AWEZNQCLSA-N 1 0 313.397 3.321 20 10 DGCDRO COC(=O)C[N@H+](Cc1cc2ccccc2cc1O)C1CCCC1 ZINC001236833901 1099821717 /nfs/dbraw/zinc/82/17/17/1099821717.db2.gz QVLSKZBWHWOGLR-UHFFFAOYSA-N 1 0 313.397 3.463 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236838308 1099824118 /nfs/dbraw/zinc/82/41/18/1099824118.db2.gz XQNMVGRDXOCHKJ-CQSZACIVSA-N 1 0 313.397 3.321 20 10 DGCDRO CC[C@H]([NH3+])CN(C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236884317 1099849178 /nfs/dbraw/zinc/84/91/78/1099849178.db2.gz OHSXBLFEKFCCTC-KRWDZBQOSA-N 1 0 314.429 3.140 20 10 DGCDRO CC(C)(C)c1cccc(CN2CC[NH2+]C[C@@H]2C(F)(F)F)c1O ZINC001236975769 1099898389 /nfs/dbraw/zinc/89/83/89/1099898389.db2.gz KDGDXSJOTLXCSL-CYBMUJFWSA-N 1 0 316.367 3.026 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCc3nc(C)sc3C2)c(O)c1 ZINC001237041461 1099938465 /nfs/dbraw/zinc/93/84/65/1099938465.db2.gz KRCBWAYXILEJOV-UHFFFAOYSA-N 1 0 304.415 3.114 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c(O)c1 ZINC001237040265 1099939517 /nfs/dbraw/zinc/93/95/17/1099939517.db2.gz BIVXAOSNRBEGQV-JKSUJKDBSA-N 1 0 303.402 3.125 20 10 DGCDRO CCOc1ccc(CN2CCCC[C@@H]2C[NH+]2CCCC2)c(O)c1 ZINC001237041480 1099940541 /nfs/dbraw/zinc/94/05/41/1099940541.db2.gz LNXPNRXOHXZVMU-QGZVFWFLSA-N 1 0 318.461 3.241 20 10 DGCDRO CC[N@@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCCO1 ZINC000691678147 1099941014 /nfs/dbraw/zinc/94/10/14/1099941014.db2.gz OJQWADPQZNQTRX-ZDUSSCGKSA-N 1 0 314.223 3.156 20 10 DGCDRO CCOc1ccc(CN2CCCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001237050052 1099943666 /nfs/dbraw/zinc/94/36/66/1099943666.db2.gz NSSUTWXOWYRDSZ-CQSZACIVSA-N 1 0 303.324 3.360 20 10 DGCDRO CCN(C(C)=O)C1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237055363 1099946684 /nfs/dbraw/zinc/94/66/84/1099946684.db2.gz MZODHJMDQJAPSQ-UHFFFAOYSA-N 1 0 318.461 3.348 20 10 DGCDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(C(C)C)cc2O)C(C)C)C1 ZINC001237054696 1099948714 /nfs/dbraw/zinc/94/87/14/1099948714.db2.gz DPONAHYVMYJSOZ-GOSISDBHSA-N 1 0 318.461 3.347 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC([NH+]2CCCCC2)C1 ZINC001237084847 1099960591 /nfs/dbraw/zinc/96/05/91/1099960591.db2.gz OPSZSUXGTXFQQM-UHFFFAOYSA-N 1 0 315.244 3.369 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1CN1CCc2cccnc2C1 ZINC001237113771 1099976497 /nfs/dbraw/zinc/97/64/97/1099976497.db2.gz DEAAWDLOIJXJPQ-UHFFFAOYSA-N 1 0 324.302 3.244 20 10 DGCDRO CC[NH+](CC)CCN(C)Cc1c(O)cccc1OC(F)(F)F ZINC001237121003 1099981897 /nfs/dbraw/zinc/98/18/97/1099981897.db2.gz SXRUKLKJWZKIEF-UHFFFAOYSA-N 1 0 320.355 3.064 20 10 DGCDRO [NH3+]C[C@H]1CCC(F)(F)CN1Cc1ccc2ccccc2c1O ZINC001237131872 1099986935 /nfs/dbraw/zinc/98/69/35/1099986935.db2.gz SYXBWADMNWDTBT-CQSZACIVSA-N 1 0 306.356 3.104 20 10 DGCDRO CC[N@@H+]1CCN(Cc2cc(C(F)(F)F)ccc2O)C(C)(C)C1 ZINC001237145194 1099996314 /nfs/dbraw/zinc/99/63/14/1099996314.db2.gz XACHYTGQQOEBMN-UHFFFAOYSA-N 1 0 316.367 3.327 20 10 DGCDRO CN1CCCc2cc(CN(C3CCC3)[C@@H]3CCC[NH2+]C3)ccc21 ZINC001237153363 1100001092 /nfs/dbraw/zinc/00/10/92/1100001092.db2.gz CHVPLMXBIFBPHA-LJQANCHMSA-N 1 0 313.489 3.176 20 10 DGCDRO Cc1cc(Cl)cc(CN(C2CCC2)[C@H]2CCC[NH2+]C2)c1O ZINC001237161360 1100009571 /nfs/dbraw/zinc/00/95/71/1100009571.db2.gz OMNJRCWIEWMVNU-INIZCTEOSA-N 1 0 308.853 3.461 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2sc(=O)[nH]c2Cl)cc1 ZINC001237168223 1100012831 /nfs/dbraw/zinc/01/28/31/1100012831.db2.gz GVFCPRVKXVXSBC-UHFFFAOYSA-N 1 0 311.838 3.200 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000691680586 1100031527 /nfs/dbraw/zinc/03/15/27/1100031527.db2.gz MMITXDZFWDSDAV-MNOVXSKESA-N 1 0 314.223 3.154 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(N(C)C)nc1 ZINC000156849900 1100073548 /nfs/dbraw/zinc/07/35/48/1100073548.db2.gz FHIHFLZWOYWYMH-UHFFFAOYSA-N 1 0 312.461 3.236 20 10 DGCDRO Oc1ccc(C[NH+]2CCC3(CCNc4ccccc43)CC2)c(O)c1 ZINC001237318793 1100073978 /nfs/dbraw/zinc/07/39/78/1100073978.db2.gz JXPZTKZXSCZEGV-UHFFFAOYSA-N 1 0 324.424 3.447 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC3(Cc4ccccc4N3)CC2)c1 ZINC001237343416 1100086172 /nfs/dbraw/zinc/08/61/72/1100086172.db2.gz SURWGPSYPKFNFD-UHFFFAOYSA-N 1 0 310.397 3.101 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001237484567 1100139120 /nfs/dbraw/zinc/13/91/20/1100139120.db2.gz FYUXUBDOFISDSM-DOMZBBRYSA-N 1 0 317.351 3.226 20 10 DGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c(C)cccc1O)CC2 ZINC001237486830 1100139179 /nfs/dbraw/zinc/13/91/79/1100139179.db2.gz CSJSPCCGUMRDRK-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001237488018 1100141838 /nfs/dbraw/zinc/14/18/38/1100141838.db2.gz PERGRQJHRGTAJJ-UHFFFAOYSA-N 1 0 319.408 3.445 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001237640682 1100199790 /nfs/dbraw/zinc/19/97/90/1100199790.db2.gz DRYVOYAJXOYQOL-SJLPKXTDSA-N 1 0 319.351 3.103 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@@H]1O ZINC001237641239 1100199862 /nfs/dbraw/zinc/19/98/62/1100199862.db2.gz OXASWFNWEHSVAV-UGSOOPFHSA-N 1 0 315.388 3.401 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2ccccc2F)c(O)c(OC)c1 ZINC001237681185 1100212002 /nfs/dbraw/zinc/21/20/02/1100212002.db2.gz PXOJBUOJULRFKW-UHFFFAOYSA-N 1 0 319.376 3.223 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(O)c(OC)c1 ZINC001237677102 1100212145 /nfs/dbraw/zinc/21/21/45/1100212145.db2.gz XCZXHEAQBUOENU-INIZCTEOSA-N 1 0 314.385 3.142 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CCN(c3cccnc3)CC2)c1O ZINC001237681803 1100212814 /nfs/dbraw/zinc/21/28/14/1100212814.db2.gz SQABAELNFFPTKA-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO CCCC[NH+]1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237936559 1100297451 /nfs/dbraw/zinc/29/74/51/1100297451.db2.gz KOSCICGARZFWJU-UHFFFAOYSA-N 1 0 300.805 3.102 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1F ZINC001237957667 1100303890 /nfs/dbraw/zinc/30/38/90/1100303890.db2.gz CUGJTMLCCSSKIQ-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238065663 1100348246 /nfs/dbraw/zinc/34/82/46/1100348246.db2.gz XRESQDCXPICRDW-CYBMUJFWSA-N 1 0 309.381 3.005 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)no1 ZINC001238068962 1100348408 /nfs/dbraw/zinc/34/84/08/1100348408.db2.gz HHGAJWQXGCGTPE-UHFFFAOYSA-N 1 0 319.380 3.165 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238069951 1100351319 /nfs/dbraw/zinc/35/13/19/1100351319.db2.gz LNAFSHJNPKMJDR-QGZVFWFLSA-N 1 0 309.381 3.005 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@@H]1C[NH3+] ZINC001205637990 1100762715 /nfs/dbraw/zinc/76/27/15/1100762715.db2.gz KFOVRCMEOUTZGG-VXGBXAGGSA-N 1 0 316.367 3.218 20 10 DGCDRO CCC1(CC)[C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1OC ZINC001194090024 1100871673 /nfs/dbraw/zinc/87/16/73/1100871673.db2.gz CRZGKKDMVZPFOB-HOTGVXAUSA-N 1 0 323.408 3.417 20 10 DGCDRO CC(C)(C)COC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001194413327 1100936804 /nfs/dbraw/zinc/93/68/04/1100936804.db2.gz KISOKVXLSVPUGP-UHFFFAOYSA-N 1 0 320.433 3.129 20 10 DGCDRO C[N@@H+]1CCC=C(c2ncnc3c2ccn3Cc2cccc(F)c2)C1 ZINC001241565925 1101549409 /nfs/dbraw/zinc/54/94/09/1101549409.db2.gz POGMQSZIFNYHOM-UHFFFAOYSA-N 1 0 322.387 3.338 20 10 DGCDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1ccc2c(c1)CCCO2 ZINC001199678457 1102181745 /nfs/dbraw/zinc/18/17/45/1102181745.db2.gz OEQPOBURIVBTOB-BRWVUGGUSA-N 1 0 316.489 3.468 20 10 DGCDRO O=c1[nH]c2cc(F)ccc2cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001199934345 1102254524 /nfs/dbraw/zinc/25/45/24/1102254524.db2.gz UJAKFGGJEXXKKQ-UHFFFAOYSA-N 1 0 324.355 3.304 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccccc2)cc1C ZINC001273814646 1102318892 /nfs/dbraw/zinc/31/88/92/1102318892.db2.gz JJWXIGDSSCKVFS-SREVYHEPSA-N 1 0 324.424 3.079 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3CCCCC3)CC2)c(OC)c1 ZINC001201401713 1102569130 /nfs/dbraw/zinc/56/91/30/1102569130.db2.gz QXJIDOCKNJTOCD-UHFFFAOYSA-N 1 0 318.461 3.406 20 10 DGCDRO CCC[N@@H+]1CCC[C@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001201638007 1102667132 /nfs/dbraw/zinc/66/71/32/1102667132.db2.gz GJVSUEOZHZNSPE-LJQANCHMSA-N 1 0 318.461 3.024 20 10 DGCDRO CCC[N@@H+]1CCC[C@@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001201638005 1102667726 /nfs/dbraw/zinc/66/77/26/1102667726.db2.gz GJVSUEOZHZNSPE-IBGZPJMESA-N 1 0 318.461 3.024 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](CC)[C@H]2CCCO2)ccc1OC ZINC001201832945 1102740715 /nfs/dbraw/zinc/74/07/15/1102740715.db2.gz INTCWGPNOSTYDR-FUHWJXTLSA-N 1 0 307.434 3.279 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C3CC(OC(C)C)C3)CC2)cc1 ZINC001325501398 1103053528 /nfs/dbraw/zinc/05/35/28/1103053528.db2.gz FJXHQJXUAOSETK-UHFFFAOYSA-N 1 0 318.461 3.163 20 10 DGCDRO O[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C12CCCC2 ZINC001326327288 1103273497 /nfs/dbraw/zinc/27/34/97/1103273497.db2.gz OSNIKMWJTLVMSO-SFHVURJKSA-N 1 0 300.446 3.166 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@](C)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC001327872614 1103750453 /nfs/dbraw/zinc/75/04/53/1103750453.db2.gz UEARGANVFABYLJ-LJQANCHMSA-N 1 0 321.461 3.293 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC2(CCC2)O1 ZINC001328505353 1103971551 /nfs/dbraw/zinc/97/15/51/1103971551.db2.gz ZNVLIUQNLXTXNK-INIZCTEOSA-N 1 0 300.446 3.430 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCC3CCOCC3)CC2)cc1 ZINC001202683238 1104117620 /nfs/dbraw/zinc/11/76/20/1104117620.db2.gz BPXLIFBGUZAEEX-UHFFFAOYSA-N 1 0 318.461 3.024 20 10 DGCDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000691392708 1104327191 /nfs/dbraw/zinc/32/71/91/1104327191.db2.gz QSZJXFGRSYFCSZ-JTQLQIEISA-N 1 0 316.239 3.041 20 10 DGCDRO CCCCC[C@H](O)CNc1ccccc1OCC1CC[NH2+]CC1 ZINC001245971918 1104343952 /nfs/dbraw/zinc/34/39/52/1104343952.db2.gz MGOGELKZINDDQF-KRWDZBQOSA-N 1 0 320.477 3.418 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1O ZINC001329674533 1104363467 /nfs/dbraw/zinc/36/34/67/1104363467.db2.gz FQFOLONSAJZGCX-NWDGAFQWSA-N 1 0 309.406 3.172 20 10 DGCDRO Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]Cc2ccc(N)cc2)CCN1 ZINC001246169726 1104417076 /nfs/dbraw/zinc/41/70/76/1104417076.db2.gz JFXJXALBIGKRDS-PKOBYXMFSA-N 1 0 313.420 3.299 20 10 DGCDRO CC/C(C)=C/C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001275395757 1104746365 /nfs/dbraw/zinc/74/63/65/1104746365.db2.gz WVRMTNZZHQKILF-LSALWYQZSA-N 1 0 318.461 3.343 20 10 DGCDRO Clc1cccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)nc21 ZINC001247008068 1104774311 /nfs/dbraw/zinc/77/43/11/1104774311.db2.gz JSGBIUJBRUOEFT-UHFFFAOYSA-N 1 0 312.804 3.293 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CC[NH+](C)C)n2)cc1 ZINC001247446860 1104904862 /nfs/dbraw/zinc/90/48/62/1104904862.db2.gz UVDXZRKFFYALIO-UHFFFAOYSA-N 1 0 310.401 3.248 20 10 DGCDRO CN(C)c1ccc(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)cc1 ZINC001275834131 1104927026 /nfs/dbraw/zinc/92/70/26/1104927026.db2.gz XDLXUVKRJBCNDF-UHFFFAOYSA-N 1 0 313.489 3.203 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[N@@H+]3CC[C@H]3C2)cc1Cl ZINC001248885514 1105187220 /nfs/dbraw/zinc/18/72/20/1105187220.db2.gz ZOULWGNAGQOEHK-ZDUSSCGKSA-N 1 0 308.853 3.233 20 10 DGCDRO COC(=O)Cc1ccc(C[NH+]2CCC3(CCCC3)CC2)c(O)c1 ZINC001249178027 1105241178 /nfs/dbraw/zinc/24/11/78/1105241178.db2.gz NTRFVYGXKRLHGL-UHFFFAOYSA-N 1 0 317.429 3.264 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@@]4(CCCO4)C3)ccc2O1 ZINC001249230627 1105251345 /nfs/dbraw/zinc/25/13/45/1105251345.db2.gz NSZLGWKNGXNNBC-IBGZPJMESA-N 1 0 315.413 3.331 20 10 DGCDRO CCCC[N@H+](C)Cc1ccc(OCCCC(=O)OCC)cc1O ZINC001249727357 1105367586 /nfs/dbraw/zinc/36/75/86/1105367586.db2.gz ZVVAPSJPMXTRQL-UHFFFAOYSA-N 1 0 323.433 3.346 20 10 DGCDRO CCC[C@H](CC)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001649176283 1105481879 /nfs/dbraw/zinc/48/18/79/1105481879.db2.gz ZTYPMKVBEXMVHY-INIZCTEOSA-N 1 0 307.457 3.246 20 10 DGCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001251723975 1105686790 /nfs/dbraw/zinc/68/67/90/1105686790.db2.gz GIXHGRKZFAGYEQ-GOSISDBHSA-N 1 0 322.456 3.032 20 10 DGCDRO CCCC[C@@H](O)CNc1ccccc1OCC1CC[NH+](C)CC1 ZINC001252104112 1105739833 /nfs/dbraw/zinc/73/98/33/1105739833.db2.gz DKYAKNUCVPCRNK-QGZVFWFLSA-N 1 0 320.477 3.370 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@@H](O)COC(C)C ZINC001252702109 1105818697 /nfs/dbraw/zinc/81/86/97/1105818697.db2.gz KIQMJAZQROMMJL-RDTXWAMCSA-N 1 0 321.461 3.008 20 10 DGCDRO C[C@@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCO[C@H]1C1CC1 ZINC001254572781 1106106970 /nfs/dbraw/zinc/10/69/70/1106106970.db2.gz CNZWJWOWAJKIFO-RBUKOAKNSA-N 1 0 300.446 3.334 20 10 DGCDRO CCOC(=O)C1CCC([N@H+](CC)Cc2ccccc2O)CC1 ZINC001255263942 1106212046 /nfs/dbraw/zinc/21/20/46/1106212046.db2.gz UOQFZBMBXDSUIW-UHFFFAOYSA-N 1 0 305.418 3.336 20 10 DGCDRO C[N@@H+]1CCC[C@H](Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256960902 1106516282 /nfs/dbraw/zinc/51/62/82/1106516282.db2.gz GPVQGQDCUFCEPE-OAHLLOKOSA-N 1 0 322.412 3.412 20 10 DGCDRO CCOC(=O)[C@H]1CC[C@H]([N@H+](CC)Cc2ccc(N(C)C)cc2)C1 ZINC001257070204 1106533233 /nfs/dbraw/zinc/53/32/33/1106533233.db2.gz MRMRFAVNBHWQHL-WMZOPIPTSA-N 1 0 318.461 3.306 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCCSC2)C1 ZINC001257677018 1106619649 /nfs/dbraw/zinc/61/96/49/1106619649.db2.gz PMQSSKHGCMKIJI-ZDUSSCGKSA-N 1 0 316.470 3.441 20 10 DGCDRO COC(=O)CC[C@H](C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001258368739 1106723531 /nfs/dbraw/zinc/72/35/31/1106723531.db2.gz AMCLORBVROROED-HNNXBMFYSA-N 1 0 304.434 3.060 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@]1(N(C)C)CCSC1 ZINC001320118880 1106884454 /nfs/dbraw/zinc/88/44/54/1106884454.db2.gz SXJRVIJUUBIIFR-HBUWYVDXSA-N 1 0 320.502 3.276 20 10 DGCDRO C[C@H](Cc1cccc(Cl)c1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258741764 1106944771 /nfs/dbraw/zinc/94/47/71/1106944771.db2.gz MFBLWPRUQPLLFO-LLVKDONJSA-N 1 0 319.788 3.155 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC001320411749 1106999349 /nfs/dbraw/zinc/99/93/49/1106999349.db2.gz SZMYEUKPIFDJQU-LUYZLQTOSA-N 1 0 300.446 3.321 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)cc1 ZINC001320577784 1107059641 /nfs/dbraw/zinc/05/96/41/1107059641.db2.gz QGIDPNFJCMCJNW-AWEZNQCLSA-N 1 0 314.433 3.106 20 10 DGCDRO CCC(C)(C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321075039 1107240582 /nfs/dbraw/zinc/24/05/82/1107240582.db2.gz MUQBPQOELFVXLF-UHFFFAOYSA-N 1 0 307.457 3.198 20 10 DGCDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001261256840 1107378782 /nfs/dbraw/zinc/37/87/82/1107378782.db2.gz WCVNDJIECUJMKN-IBGZPJMESA-N 1 0 301.478 3.201 20 10 DGCDRO COC1([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)CCOCC1 ZINC001261677106 1107504069 /nfs/dbraw/zinc/50/40/69/1107504069.db2.gz GBVLXSVLJMVUBJ-LBPRGKRZSA-N 1 0 313.825 3.028 20 10 DGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001261787869 1107529838 /nfs/dbraw/zinc/52/98/38/1107529838.db2.gz DMPUJWJGDMFDGD-BDJLRTHQSA-N 1 0 324.371 3.226 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC001262053089 1107595872 /nfs/dbraw/zinc/59/58/72/1107595872.db2.gz PLNAKBWNFYICDE-HNNXBMFYSA-N 1 0 315.335 3.034 20 10 DGCDRO COc1ccc(C)cc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC001262109772 1107622086 /nfs/dbraw/zinc/62/20/86/1107622086.db2.gz GGJDMWHMMYINLO-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO COC(=O)N1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC001318183294 1107881192 /nfs/dbraw/zinc/88/11/92/1107881192.db2.gz VCOWNBGEKZEFSG-UHFFFAOYSA-N 1 0 320.433 3.098 20 10 DGCDRO CN1CCN(c2ccc(C[N@@H+]3CC(C)(C)C3(C)C)cc2F)CC1 ZINC001323320570 1107933912 /nfs/dbraw/zinc/93/39/12/1107933912.db2.gz BVLQVSJVSDJPFO-UHFFFAOYSA-N 1 0 319.468 3.198 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[NH+]1CC=CC1 ZINC001318764476 1108188686 /nfs/dbraw/zinc/18/86/86/1108188686.db2.gz BHPSJUAFWYOBHK-UHFFFAOYSA-N 1 0 323.440 3.004 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC001324655198 1108404697 /nfs/dbraw/zinc/40/46/97/1108404697.db2.gz ZGFPOUCEKIYWHZ-FQEVSTJZSA-N 1 0 313.489 3.393 20 10 DGCDRO CCCCC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319425136 1108459300 /nfs/dbraw/zinc/45/93/00/1108459300.db2.gz SJGXJMZTDOYPIJ-OAHLLOKOSA-N 1 0 306.450 3.130 20 10 DGCDRO C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[N@@H+](C2CC2)C1 ZINC001325129281 1108580960 /nfs/dbraw/zinc/58/09/60/1108580960.db2.gz XJQRLMWMRFOTOA-KRWDZBQOSA-N 1 0 313.489 3.203 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC001319780150 1108633147 /nfs/dbraw/zinc/63/31/47/1108633147.db2.gz YKACIHFCCJHNQE-GOSISDBHSA-N 1 0 316.445 3.062 20 10 DGCDRO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC001319858659 1108665890 /nfs/dbraw/zinc/66/58/90/1108665890.db2.gz IPLFZJFEDLQVPT-INIZCTEOSA-N 1 0 317.477 3.100 20 10 DGCDRO C[N@H+](CCc1nccs1)Cc1ccc(N2CCCC2)cc1 ZINC001319964183 1108718377 /nfs/dbraw/zinc/71/83/77/1108718377.db2.gz QVADRQHXXSQSKU-UHFFFAOYSA-N 1 0 301.459 3.418 20 10 DGCDRO CCC1(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001282184379 1109464888 /nfs/dbraw/zinc/46/48/88/1109464888.db2.gz JDWOUNFKIHNGMM-LSDHHAIUSA-N 1 0 318.461 3.177 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](CO)CC(F)(F)F)cc1C ZINC001333321837 1110120604 /nfs/dbraw/zinc/12/06/04/1110120604.db2.gz ONKUKZQHEQIHDP-ZDUSSCGKSA-N 1 0 305.340 3.187 20 10 DGCDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1O ZINC001308010404 1111365539 /nfs/dbraw/zinc/36/55/39/1111365539.db2.gz MMDYCYWPVPOIHP-SNVBAGLBSA-N 1 0 312.329 3.028 20 10 DGCDRO C[C@H]1CCCN(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308200138 1111396561 /nfs/dbraw/zinc/39/65/61/1111396561.db2.gz UZPRZFVOCYFIKE-PFWMLDTASA-N 1 0 301.478 3.087 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cn2ccsc2n1 ZINC001308229304 1111401367 /nfs/dbraw/zinc/40/13/67/1111401367.db2.gz ZTWDESIEORMQDF-UHFFFAOYSA-N 1 0 310.426 3.486 20 10 DGCDRO c1cc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)cc2c1OCC2 ZINC001308479880 1111433645 /nfs/dbraw/zinc/43/36/45/1111433645.db2.gz PSCOTCYMZJPASS-GOSISDBHSA-N 1 0 301.430 3.451 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC001308489080 1111434192 /nfs/dbraw/zinc/43/41/92/1111434192.db2.gz VFYALNMVZLLKFF-QGZVFWFLSA-N 1 0 319.408 3.140 20 10 DGCDRO CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001308556237 1111443679 /nfs/dbraw/zinc/44/36/79/1111443679.db2.gz XVPQTLGBNPDSTN-LLVKDONJSA-N 1 0 302.821 3.395 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c(O)c1 ZINC001308638760 1111454203 /nfs/dbraw/zinc/45/42/03/1111454203.db2.gz IWPDTQFPVDNCKA-HOCLYGCPSA-N 1 0 307.434 3.393 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c(O)c1 ZINC001308667840 1111458408 /nfs/dbraw/zinc/45/84/08/1111458408.db2.gz GGWIADCZUXLCLO-QFBILLFUSA-N 1 0 310.441 3.311 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c(Cl)cncc2Cl)c1O ZINC001308743380 1111469114 /nfs/dbraw/zinc/46/91/14/1111469114.db2.gz VTUGBGATKOETJP-UHFFFAOYSA-N 1 0 313.184 3.392 20 10 DGCDRO Cc1ccc(C[N@H+]2CCN(C)C[C@H]2Cc2ccccc2)c(O)c1 ZINC001308850023 1111483686 /nfs/dbraw/zinc/48/36/86/1111483686.db2.gz LCABTEXREUYVTK-LJQANCHMSA-N 1 0 310.441 3.059 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)c1O ZINC001308867338 1111486252 /nfs/dbraw/zinc/48/62/52/1111486252.db2.gz BCKMHVIYATWTSV-GOSISDBHSA-N 1 0 307.434 3.130 20 10 DGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(Cl)cc1O ZINC001308878531 1111487657 /nfs/dbraw/zinc/48/76/57/1111487657.db2.gz QBOZAKJGXMNGNP-YVEFUNNKSA-N 1 0 305.805 3.300 20 10 DGCDRO Cn1cc(-c2ccc(C[N@@H+]3Cc4cccc(O)c4C3)cc2)cn1 ZINC001308911388 1111492116 /nfs/dbraw/zinc/49/21/16/1111492116.db2.gz SSXNYKRQHLIGTE-UHFFFAOYSA-N 1 0 305.381 3.309 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c(O)c1 ZINC001308952824 1111499163 /nfs/dbraw/zinc/49/91/63/1111499163.db2.gz TWJWKOIGBIWJDG-INIZCTEOSA-N 1 0 319.445 3.348 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)cc1 ZINC000090533389 185301427 /nfs/dbraw/zinc/30/14/27/185301427.db2.gz NRVPRXVQTSWTIU-DZGCQCFKSA-N 1 0 300.450 3.456 20 10 DGCDRO CCOCc1ccccc1C[NH2+]Cc1cc(OC)ccc1O ZINC000236989665 202110094 /nfs/dbraw/zinc/11/00/94/202110094.db2.gz LAGCMQLPTAJWRZ-UHFFFAOYSA-N 1 0 301.386 3.227 20 10 DGCDRO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236994255 202113166 /nfs/dbraw/zinc/11/31/66/202113166.db2.gz RAFXTGJTBSUHOB-YJBOKZPZSA-N 1 0 317.477 3.009 20 10 DGCDRO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179558222 432063401 /nfs/dbraw/zinc/06/34/01/432063401.db2.gz IBOJJLRIFFYKJB-UHFFFAOYSA-N 1 0 310.397 3.243 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741362 432069569 /nfs/dbraw/zinc/06/95/69/432069569.db2.gz ZXEORONOVQKAMQ-CQSZACIVSA-N 1 0 320.433 3.047 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCC2)cc1 ZINC000134647705 432082624 /nfs/dbraw/zinc/08/26/24/432082624.db2.gz HHABNARSKCUGAF-SOLBZPMBSA-N 1 0 300.446 3.265 20 10 DGCDRO C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000156368611 299291294 /nfs/dbraw/zinc/29/12/94/299291294.db2.gz NGQQOCSNFJMGNP-ZDUSSCGKSA-N 1 0 317.399 3.287 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000246123130 432097490 /nfs/dbraw/zinc/09/74/90/432097490.db2.gz KLOPYCHTQYNVQC-QZTJIDSGSA-N 1 0 320.502 3.239 20 10 DGCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C)c1cccc(O)c1 ZINC000091975286 193135345 /nfs/dbraw/zinc/13/53/45/193135345.db2.gz ZFQWKBBCZSNZLO-LBPRGKRZSA-N 1 0 315.369 3.410 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000021023340 182261423 /nfs/dbraw/zinc/26/14/23/182261423.db2.gz PLQQWLSOXZWCAK-UHFFFAOYSA-N 1 0 303.233 3.275 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c(O)c1 ZINC000268867154 432146005 /nfs/dbraw/zinc/14/60/05/432146005.db2.gz UHERJHNHZCACBK-OAHLLOKOSA-N 1 0 301.390 3.071 20 10 DGCDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000272919869 130074836 /nfs/dbraw/zinc/07/48/36/130074836.db2.gz FBDYACHADFCBEQ-UHFFFAOYSA-N 1 0 314.385 3.029 20 10 DGCDRO COCC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccco1 ZINC000273327220 130107963 /nfs/dbraw/zinc/10/79/63/130107963.db2.gz YIBXQRDAHFLWDX-OAHLLOKOSA-N 1 0 321.348 3.194 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000273362088 130111419 /nfs/dbraw/zinc/11/14/19/130111419.db2.gz ARPSNHRIPNTBGI-VWYCJHECSA-N 1 0 314.223 3.230 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000273386987 130116223 /nfs/dbraw/zinc/11/62/23/130116223.db2.gz JSVCRSXJYIQCBU-GOEBONIOSA-N 1 0 317.404 3.342 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273437593 130121854 /nfs/dbraw/zinc/12/18/54/130121854.db2.gz XNPCJOZMIJQNEX-GDBMZVCRSA-N 1 0 317.404 3.342 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000273490332 130128189 /nfs/dbraw/zinc/12/81/89/130128189.db2.gz OBSNIAGUIQUWLM-OAVHHTNSSA-N 1 0 319.376 3.313 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000273513180 130130379 /nfs/dbraw/zinc/13/03/79/130130379.db2.gz SEFOJZSQEYRDAD-BBRMVZONSA-N 1 0 303.377 3.094 20 10 DGCDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273545443 130134915 /nfs/dbraw/zinc/13/49/15/130134915.db2.gz ZGSZOZNNZUTZMU-QWRGUYRKSA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cc(Cl)ccc1O ZINC000273563823 130136699 /nfs/dbraw/zinc/13/66/99/130136699.db2.gz IVNMBXULYSTONU-ABAIWWIYSA-N 1 0 314.882 3.134 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000273621465 130144851 /nfs/dbraw/zinc/14/48/51/130144851.db2.gz ZDWWRKJKRFTZKZ-NHYWBVRUSA-N 1 0 314.385 3.230 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c(O)c1C ZINC000273621551 130144935 /nfs/dbraw/zinc/14/49/35/130144935.db2.gz ZFKHCPDBBUVTBI-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)CCO)c1O ZINC000275346226 130309003 /nfs/dbraw/zinc/30/90/03/130309003.db2.gz PSMOSFVAZFJOGW-ONGXEEELSA-N 1 0 316.239 3.132 20 10 DGCDRO COc1cccc(CNc2ccccc2CC[NH+](C)C)c1O ZINC000275662645 130356638 /nfs/dbraw/zinc/35/66/38/130356638.db2.gz WAAYTUGPYYKEOM-UHFFFAOYSA-N 1 0 300.402 3.117 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCOC2CCOCC2)c(O)c1 ZINC000284946516 131125447 /nfs/dbraw/zinc/12/54/47/131125447.db2.gz DZBACFUZWBLCJN-OAHLLOKOSA-N 1 0 307.434 3.245 20 10 DGCDRO COCCCOc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000285368472 131161312 /nfs/dbraw/zinc/16/13/12/131161312.db2.gz AVIQYYBMRWKSDV-UHFFFAOYSA-N 1 0 315.413 3.406 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000366659325 131313572 /nfs/dbraw/zinc/31/35/72/131313572.db2.gz XGJIJNXLDZUUSW-CHWSQXEVSA-N 1 0 323.820 3.107 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000366659339 131313753 /nfs/dbraw/zinc/31/37/53/131313753.db2.gz XGJIJNXLDZUUSW-STQMWFEESA-N 1 0 323.820 3.107 20 10 DGCDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000289236914 131367963 /nfs/dbraw/zinc/36/79/63/131367963.db2.gz DLWJZXKUAABADK-GXSJLCMTSA-N 1 0 323.742 3.038 20 10 DGCDRO CCC(=O)CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000289244855 131369014 /nfs/dbraw/zinc/36/90/14/131369014.db2.gz AXSVJKSTERDWSP-QGZVFWFLSA-N 1 0 305.418 3.133 20 10 DGCDRO COC(=O)Nc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000297376873 132013052 /nfs/dbraw/zinc/01/30/52/132013052.db2.gz QTTZNOJTXQVWLR-OAHLLOKOSA-N 1 0 312.369 3.348 20 10 DGCDRO COc1ccccc1O[C@@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297794795 132034985 /nfs/dbraw/zinc/03/49/85/132034985.db2.gz QBWDNFVCKAGABT-ZFWWWQNUSA-N 1 0 313.397 3.445 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000298575532 132068709 /nfs/dbraw/zinc/06/87/09/132068709.db2.gz RVNMDLOTNURJKD-AWEZNQCLSA-N 1 0 323.440 3.488 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000299135740 132090867 /nfs/dbraw/zinc/09/08/67/132090867.db2.gz FYKRZMRZIYDNCW-GOSISDBHSA-N 1 0 324.424 3.015 20 10 DGCDRO Oc1ccccc1C[N@H+](CCC(F)(F)F)C[C@H]1CCCO1 ZINC000072952799 400419082 /nfs/dbraw/zinc/41/90/82/400419082.db2.gz OETDRDFRELJCQN-CYBMUJFWSA-N 1 0 303.324 3.326 20 10 DGCDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N(C)C)cc1 ZINC000134786059 287072987 /nfs/dbraw/zinc/07/29/87/287072987.db2.gz IXLYGSTUUNFSQQ-QCSYZSNVSA-N 1 0 300.446 3.361 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000269078463 432152287 /nfs/dbraw/zinc/15/22/87/432152287.db2.gz YWKVLLFEAZSKHO-SJORKVTESA-N 1 0 302.418 3.428 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000269086280 432152386 /nfs/dbraw/zinc/15/23/86/432152386.db2.gz PMZQNXPOMUJZMW-KPOBHBOGSA-N 1 0 310.441 3.452 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1cc(Br)ccc1O ZINC000297401202 227117279 /nfs/dbraw/zinc/11/72/79/227117279.db2.gz SMNNYAPLLKLNTC-WDEREUQCSA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(F)ccc1O ZINC000176985542 228322678 /nfs/dbraw/zinc/32/26/78/228322678.db2.gz UKYKRGHVAJBDEW-WDEREUQCSA-N 1 0 320.330 3.066 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000131092134 275061356 /nfs/dbraw/zinc/06/13/56/275061356.db2.gz CXAGUQVBVCYKAE-WMZOPIPTSA-N 1 0 315.438 3.252 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCOCC2)c(C(F)(F)F)c1 ZINC000280207931 276884049 /nfs/dbraw/zinc/88/40/49/276884049.db2.gz IAZVZKRWQFPXAN-ZDUSSCGKSA-N 1 0 316.367 3.430 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1O ZINC000186442259 278011399 /nfs/dbraw/zinc/01/13/99/278011399.db2.gz XFAGKODFHNOKOV-IBGZPJMESA-N 1 0 311.381 3.032 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(NC(N)=O)cc1 ZINC000297581038 278284199 /nfs/dbraw/zinc/28/41/99/278284199.db2.gz HCXLWMASWJBAHC-NHYWBVRUSA-N 1 0 311.385 3.221 20 10 DGCDRO CN(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1cccs1 ZINC000037362880 431846205 /nfs/dbraw/zinc/84/62/05/431846205.db2.gz DTKQBYSSKJDKLL-HNNXBMFYSA-N 1 0 302.443 3.076 20 10 DGCDRO Cc1nc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000092787725 431912416 /nfs/dbraw/zinc/91/24/16/431912416.db2.gz YVUIYJGDDVSDKY-UHFFFAOYSA-N 1 0 307.781 3.117 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000093842425 431917238 /nfs/dbraw/zinc/91/72/38/431917238.db2.gz KKEBCKBJELMLPU-GOSISDBHSA-N 1 0 319.445 3.251 20 10 DGCDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093845536 431918313 /nfs/dbraw/zinc/91/83/13/431918313.db2.gz MRGMPDORPBHZSV-HNNXBMFYSA-N 1 0 314.385 3.187 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)cc1 ZINC000090852482 431896224 /nfs/dbraw/zinc/89/62/24/431896224.db2.gz MNLCQKVTQOQWHB-OAHLLOKOSA-N 1 0 312.461 3.455 20 10 DGCDRO Cc1noc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000091832652 431904870 /nfs/dbraw/zinc/90/48/70/431904870.db2.gz NOJCAJMHGVPTBP-NSHDSACASA-N 1 0 307.781 3.117 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000152308377 432322651 /nfs/dbraw/zinc/32/26/51/432322651.db2.gz WIOMOSBVIUSWJW-HOTGVXAUSA-N 1 0 311.429 3.330 20 10 DGCDRO Cc1nn(C)cc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000271050814 432323207 /nfs/dbraw/zinc/32/32/07/432323207.db2.gz AHPGNLWAKAXERO-UHFFFAOYSA-N 1 0 300.450 3.205 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192049431 432328172 /nfs/dbraw/zinc/32/81/72/432328172.db2.gz LJXBPTJSVGCWLH-OAHLLOKOSA-N 1 0 303.402 3.090 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000271178328 432346782 /nfs/dbraw/zinc/34/67/82/432346782.db2.gz KITOWADHMVPBKC-UHFFFAOYSA-N 1 0 305.418 3.184 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCC(=O)OC(C)(C)C)c(O)c1 ZINC000174434792 432347105 /nfs/dbraw/zinc/34/71/05/432347105.db2.gz UZYJHGGWRRFIDM-UHFFFAOYSA-N 1 0 309.406 3.002 20 10 DGCDRO CC[N@H+](CCCCOC)Cc1cc(Br)ccc1O ZINC000174424319 432347651 /nfs/dbraw/zinc/34/76/51/432347651.db2.gz BLPLLUMKBAJSQH-UHFFFAOYSA-N 1 0 316.239 3.403 20 10 DGCDRO CCc1ccc([C@@H](COC)[NH2+]Cc2cccc(OC)c2O)o1 ZINC000174481169 432350339 /nfs/dbraw/zinc/35/03/39/432350339.db2.gz URBZDILPWLLPCF-CQSZACIVSA-N 1 0 305.374 3.034 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O ZINC000183631373 432311935 /nfs/dbraw/zinc/31/19/35/432311935.db2.gz LKKIGOQOWIENGB-RDJZCZTQSA-N 1 0 324.424 3.092 20 10 DGCDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000184292383 432376231 /nfs/dbraw/zinc/37/62/31/432376231.db2.gz WSQMBPDCSKALRN-LRAJWGHMSA-N 1 0 308.491 3.095 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000271952786 432431610 /nfs/dbraw/zinc/43/16/10/432431610.db2.gz FATGXXDIXAAZMG-NVXWUHKLSA-N 1 0 307.434 3.474 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c1 ZINC000192952716 432434596 /nfs/dbraw/zinc/43/45/96/432434596.db2.gz LBPHKOZSQDCEKT-RHSMWYFYSA-N 1 0 306.450 3.172 20 10 DGCDRO COCc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000184941942 432446916 /nfs/dbraw/zinc/44/69/16/432446916.db2.gz JXNRIGZWBLJVDI-CYBMUJFWSA-N 1 0 301.386 3.398 20 10 DGCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000271501188 432408197 /nfs/dbraw/zinc/40/81/97/432408197.db2.gz NYPLYXRERBWNHV-MRXNPFEDSA-N 1 0 311.429 3.077 20 10 DGCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000271501185 432408722 /nfs/dbraw/zinc/40/87/22/432408722.db2.gz NYPLYXRERBWNHV-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000271539111 432418475 /nfs/dbraw/zinc/41/84/75/432418475.db2.gz PFHBEBZOBYJCCA-UGSOOPFHSA-N 1 0 301.386 3.267 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1O ZINC000184684159 432421120 /nfs/dbraw/zinc/42/11/20/432421120.db2.gz CCSZNJYNQSWCPV-OAHLLOKOSA-N 1 0 324.852 3.114 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)c1cccc(F)c1 ZINC000271858912 432426700 /nfs/dbraw/zinc/42/67/00/432426700.db2.gz VLGQGKGTAPWURF-MEBBXXQBSA-N 1 0 309.768 3.396 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)c1cccc(F)c1 ZINC000271858909 432426973 /nfs/dbraw/zinc/42/69/73/432426973.db2.gz VLGQGKGTAPWURF-BONVTDFDSA-N 1 0 309.768 3.396 20 10 DGCDRO CCC(O)(CC)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185231198 432480660 /nfs/dbraw/zinc/48/06/60/432480660.db2.gz FNTNOSQVPWRJFZ-SNVBAGLBSA-N 1 0 316.239 3.356 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c1 ZINC000185351687 432493775 /nfs/dbraw/zinc/49/37/75/432493775.db2.gz KWUXTIZIGNFHSQ-STQMWFEESA-N 1 0 301.386 3.388 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000185442789 432500008 /nfs/dbraw/zinc/50/00/08/432500008.db2.gz SYNYKVOKXCHIJW-YPMHNXCESA-N 1 0 324.396 3.191 20 10 DGCDRO CSC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000193826554 432502146 /nfs/dbraw/zinc/50/21/46/432502146.db2.gz NIMVMZVHRJDKNQ-ZDUSSCGKSA-N 1 0 324.465 3.209 20 10 DGCDRO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000185475506 432503480 /nfs/dbraw/zinc/50/34/80/432503480.db2.gz HJKDITBZTMCCCR-XMHCIUCPSA-N 1 0 323.502 3.469 20 10 DGCDRO C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185521873 432506621 /nfs/dbraw/zinc/50/66/21/432506621.db2.gz FUYKSCBYQHIVRO-AXFHLTTASA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185521908 432506697 /nfs/dbraw/zinc/50/66/97/432506697.db2.gz FUYKSCBYQHIVRO-DCAQKATOSA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185520713 432507861 /nfs/dbraw/zinc/50/78/61/432507861.db2.gz CEUCTEXSVRSCHD-MXWKQRLJSA-N 1 0 316.239 3.212 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OC)c2OC)c1 ZINC000185076900 432463604 /nfs/dbraw/zinc/46/36/04/432463604.db2.gz DALCXVLAWCHSQB-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185113968 432469299 /nfs/dbraw/zinc/46/92/99/432469299.db2.gz GGWDKUDIBCJICU-ZYHUDNBSSA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@H]([NH2+]CCCOC1CCOCC1)c1cc(Cl)ccc1O ZINC000186074110 432555750 /nfs/dbraw/zinc/55/57/50/432555750.db2.gz KIEZICFFSIKTPY-LBPRGKRZSA-N 1 0 313.825 3.282 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccccc1O ZINC000186097536 432559174 /nfs/dbraw/zinc/55/91/74/432559174.db2.gz JIZSCQXDBJOFEL-GOSISDBHSA-N 1 0 322.412 3.273 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCOc2ncccc2Cl)c(O)c1 ZINC000186107211 432559422 /nfs/dbraw/zinc/55/94/22/432559422.db2.gz RKEYMSVOAXRHQY-LBPRGKRZSA-N 1 0 306.793 3.479 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1O ZINC000186171184 432565331 /nfs/dbraw/zinc/56/53/31/432565331.db2.gz YDJCNRHQRAGTTN-OCCSQVGLSA-N 1 0 317.820 3.370 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136202 432562380 /nfs/dbraw/zinc/56/23/80/432562380.db2.gz IXMSDKDPYGHRFX-JJRVBVJISA-N 1 0 307.459 3.406 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(F)ccc1O ZINC000186136997 432562444 /nfs/dbraw/zinc/56/24/44/432562444.db2.gz ROJDQMRYXHRTCR-AXAPSJFSSA-N 1 0 311.422 3.237 20 10 DGCDRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000185658153 432521066 /nfs/dbraw/zinc/52/10/66/432521066.db2.gz IWIUOZRMGAAOGR-BBLNCHDKSA-N 1 0 313.438 3.262 20 10 DGCDRO COc1ccc(COCC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185861557 432539390 /nfs/dbraw/zinc/53/93/90/432539390.db2.gz KLQZCXPUDYCLJS-ZDUSSCGKSA-N 1 0 319.376 3.407 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000186189631 432566587 /nfs/dbraw/zinc/56/65/87/432566587.db2.gz VCUVUZQKDDLAOO-UGSOOPFHSA-N 1 0 303.377 3.398 20 10 DGCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000186354116 432586550 /nfs/dbraw/zinc/58/65/50/432586550.db2.gz GQZNHSFGPPCDMZ-ZDUSSCGKSA-N 1 0 314.429 3.358 20 10 DGCDRO CCCN(Cc1c(C)nn(C)c1Cl)c1ccc(C[NH3+])cc1 ZINC000194977466 432590583 /nfs/dbraw/zinc/59/05/83/432590583.db2.gz CTTFASNEVVBSEU-UHFFFAOYSA-N 1 0 306.841 3.257 20 10 DGCDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273467131 432601981 /nfs/dbraw/zinc/60/19/81/432601981.db2.gz DZMSIINDUJZIHX-IINYFYTJSA-N 1 0 316.239 3.356 20 10 DGCDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000186520067 432603516 /nfs/dbraw/zinc/60/35/16/432603516.db2.gz ZUMHXGQEXISFSZ-ISBNUJHVSA-N 1 0 314.223 3.132 20 10 DGCDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000186520046 432604645 /nfs/dbraw/zinc/60/46/45/432604645.db2.gz ZUMHXGQEXISFSZ-YGEYTSGZSA-N 1 0 314.223 3.132 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1O ZINC000186919307 432636647 /nfs/dbraw/zinc/63/66/47/432636647.db2.gz NPAOWVWPSMTAEQ-JQWIXIFHSA-N 1 0 314.223 3.293 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)cc1OC ZINC000274325332 432652954 /nfs/dbraw/zinc/65/29/54/432652954.db2.gz DQZOZBWFXOQXLW-SJORKVTESA-N 1 0 323.433 3.091 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)cc1 ZINC000178181695 432703945 /nfs/dbraw/zinc/70/39/45/432703945.db2.gz DGOGNJPQDXVXOS-CQSZACIVSA-N 1 0 311.429 3.092 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000227690844 432713539 /nfs/dbraw/zinc/71/35/39/432713539.db2.gz HVUCFUWKVILIKU-GHMZBOCLSA-N 1 0 312.385 3.095 20 10 DGCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000227690827 432714318 /nfs/dbraw/zinc/71/43/18/432714318.db2.gz HVUCFUWKVILIKU-QWRGUYRKSA-N 1 0 312.385 3.095 20 10 DGCDRO COCC1=CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000187617364 432672535 /nfs/dbraw/zinc/67/25/35/432672535.db2.gz BGKDHKQOKSAWJB-UHFFFAOYSA-N 1 0 300.446 3.455 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000187656379 432675233 /nfs/dbraw/zinc/67/52/33/432675233.db2.gz XREOMLJEASHMEO-UHFFFAOYSA-N 1 0 301.308 3.044 20 10 DGCDRO Cc1cccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1O ZINC000224893536 432684900 /nfs/dbraw/zinc/68/49/00/432684900.db2.gz OLWKFSXROIFNKF-UHFFFAOYSA-N 1 0 308.422 3.094 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276164495 432777771 /nfs/dbraw/zinc/77/77/71/432777771.db2.gz HMWUTNSIXXCFGA-QGZVFWFLSA-N 1 0 316.445 3.114 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)CCC1 ZINC000277088119 432828535 /nfs/dbraw/zinc/82/85/35/432828535.db2.gz GEKGKGDKYJJDJX-HNNXBMFYSA-N 1 0 317.477 3.100 20 10 DGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CS1 ZINC000277110383 432830460 /nfs/dbraw/zinc/83/04/60/432830460.db2.gz HYXLSVFRKWYMLC-FUHWJXTLSA-N 1 0 320.502 3.143 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]C2CC(F)(F)C2)c1O ZINC000277304477 432836500 /nfs/dbraw/zinc/83/65/00/432836500.db2.gz BHLOSZLFLQQFOX-UHFFFAOYSA-N 1 0 306.150 3.350 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1cc(Br)ccc1O ZINC000296236014 432886840 /nfs/dbraw/zinc/88/68/40/432886840.db2.gz CGSSYTUOFFSJGO-WDEREUQCSA-N 1 0 316.239 3.356 20 10 DGCDRO COc1c([O-])c(C[N@H+](C)CCc2cccs2)ccc1[N+](=O)[O-] ZINC000278253117 432890406 /nfs/dbraw/zinc/89/04/06/432890406.db2.gz PHSDTLFLIXIYPW-UHFFFAOYSA-N 1 0 322.386 3.045 20 10 DGCDRO C[C@@H]([NH2+]CCC(C)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000296639316 432924209 /nfs/dbraw/zinc/92/42/09/432924209.db2.gz BYYLNYVYLYZGND-GFCCVEGCSA-N 1 0 316.367 3.358 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C1CCN(c3nccs3)CC1)CC2 ZINC000296372250 432900937 /nfs/dbraw/zinc/90/09/37/432900937.db2.gz IUGLDVXTDMDXDP-AWEZNQCLSA-N 1 0 315.442 3.095 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCOC4(CCC4)C3)ccc21 ZINC000296403798 432904290 /nfs/dbraw/zinc/90/42/90/432904290.db2.gz LPYPTJSGLTYQHI-KRWDZBQOSA-N 1 0 300.446 3.260 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289641117 432970472 /nfs/dbraw/zinc/97/04/72/432970472.db2.gz SMSMROOPPZMUEQ-QZTJIDSGSA-N 1 0 300.446 3.286 20 10 DGCDRO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccccc1O ZINC000289821554 432973990 /nfs/dbraw/zinc/97/39/90/432973990.db2.gz TZAVMKRCWVVQFS-UHFFFAOYSA-N 1 0 304.434 3.005 20 10 DGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1O ZINC000289866183 432977324 /nfs/dbraw/zinc/97/73/24/432977324.db2.gz RXQPPLPRJSMJBY-ZDUSSCGKSA-N 1 0 300.402 3.318 20 10 DGCDRO OC[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)C[C@H]1c1ccccc1 ZINC000289957982 432980784 /nfs/dbraw/zinc/98/07/84/432980784.db2.gz VFSJBWPNBOHPRS-YJBOKZPZSA-N 1 0 317.816 3.301 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)c(=O)n1C ZINC000279597556 432986781 /nfs/dbraw/zinc/98/67/81/432986781.db2.gz VWZDLRHHOCSFQI-AWEZNQCLSA-N 1 0 322.408 3.403 20 10 DGCDRO CCC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](O)c1ccccc1 ZINC000279635313 432989021 /nfs/dbraw/zinc/98/90/21/432989021.db2.gz IPONGNXJFLOLFD-IEBWSBKVSA-N 1 0 315.413 3.393 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000279772516 432992959 /nfs/dbraw/zinc/99/29/59/432992959.db2.gz AKKOPAVPISRSKU-DGCLKSJQSA-N 1 0 316.367 3.429 20 10 DGCDRO CC[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(C)cc1O ZINC000279921120 432997155 /nfs/dbraw/zinc/99/71/55/432997155.db2.gz AEBAJKICNVKYFP-HNNXBMFYSA-N 1 0 314.433 3.259 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000290144793 432999579 /nfs/dbraw/zinc/99/95/79/432999579.db2.gz OGPHHDLXSMVGKA-KRWDZBQOSA-N 1 0 302.393 3.232 20 10 DGCDRO CC[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(C)cc1O ZINC000280161121 433008439 /nfs/dbraw/zinc/00/84/39/433008439.db2.gz QQRZMHFJIUYUFT-MRXNPFEDSA-N 1 0 305.418 3.427 20 10 DGCDRO C[C@H](CO)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280164072 433008543 /nfs/dbraw/zinc/00/85/43/433008543.db2.gz FUFMHRFNUSBHHL-LBPRGKRZSA-N 1 0 318.383 3.270 20 10 DGCDRO CC[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)OC ZINC000290184484 433008578 /nfs/dbraw/zinc/00/85/78/433008578.db2.gz NTZHRQCVXZWCEX-MWLCHTKSSA-N 1 0 302.212 3.230 20 10 DGCDRO COc1ncccc1CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000290201861 433011882 /nfs/dbraw/zinc/01/18/82/433011882.db2.gz PFHDQWWTKAXKJH-AWEZNQCLSA-N 1 0 300.402 3.306 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(C)cc1O ZINC000280207922 433014847 /nfs/dbraw/zinc/01/48/47/433014847.db2.gz TXKWLLOXJFGKOI-MRXNPFEDSA-N 1 0 304.434 3.144 20 10 DGCDRO CC[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(C)cc1O ZINC000280236993 433020505 /nfs/dbraw/zinc/02/05/05/433020505.db2.gz VQDOEZRKKUTYTL-CYBMUJFWSA-N 1 0 304.356 3.235 20 10 DGCDRO Cc1cnn([C@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)c1 ZINC000290928687 433209645 /nfs/dbraw/zinc/20/96/45/433209645.db2.gz ORRZCCRNTRDVSL-INIZCTEOSA-N 1 0 307.397 3.497 20 10 DGCDRO CCOc1cc(C[NH2+]Cc2ccccc2O)cc(Cl)c1O ZINC000298564432 433181828 /nfs/dbraw/zinc/18/18/28/433181828.db2.gz WIFFLEJZZKQWNJ-UHFFFAOYSA-N 1 0 307.777 3.440 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1 ZINC000280848866 433200149 /nfs/dbraw/zinc/20/01/49/433200149.db2.gz BJCVACQJTATMAF-RDJZCZTQSA-N 1 0 317.477 3.052 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000291054121 433217257 /nfs/dbraw/zinc/21/72/57/433217257.db2.gz NUSHYXGROIDLBV-CYBMUJFWSA-N 1 0 318.367 3.287 20 10 DGCDRO c1[nH]nc2c1CC[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000374541119 433217595 /nfs/dbraw/zinc/21/75/95/433217595.db2.gz JFFKQTLUOKTOGH-QGZVFWFLSA-N 1 0 310.445 3.047 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000290997447 433217486 /nfs/dbraw/zinc/21/74/86/433217486.db2.gz APVCVKMNYHFJHF-WBVHZDCISA-N 1 0 305.418 3.180 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000291542631 433264644 /nfs/dbraw/zinc/26/46/44/433264644.db2.gz LKLVJNYKPSCJCE-SJORKVTESA-N 1 0 305.418 3.180 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000374924769 433313621 /nfs/dbraw/zinc/31/36/21/433313621.db2.gz HGHCOXRWBAHNGL-HNNXBMFYSA-N 1 0 305.418 3.039 20 10 DGCDRO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)Cc1ccccc1O ZINC000282789472 433631982 /nfs/dbraw/zinc/63/19/82/433631982.db2.gz LTKKXVNGYTZHBS-UHFFFAOYSA-N 1 0 322.412 3.222 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)C[C@@H](C)O)CC2)cc1 ZINC000362304796 433633322 /nfs/dbraw/zinc/63/33/22/433633322.db2.gz QTQSXDMAKVKZCG-OAHLLOKOSA-N 1 0 320.477 3.051 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)c(O)c1 ZINC000283121385 433667820 /nfs/dbraw/zinc/66/78/20/433667820.db2.gz YZVSGELKUDHBFY-INIZCTEOSA-N 1 0 315.417 3.082 20 10 DGCDRO CCC(CC)(CCO)[NH2+]Cc1cc(Br)ccc1O ZINC000283047753 433650844 /nfs/dbraw/zinc/65/08/44/433650844.db2.gz RWUNBZKMZVTNPN-UHFFFAOYSA-N 1 0 316.239 3.186 20 10 DGCDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000293619599 433803073 /nfs/dbraw/zinc/80/30/73/433803073.db2.gz JPPNGIXMMQZRSS-CYBMUJFWSA-N 1 0 310.388 3.219 20 10 DGCDRO CO[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000377243663 433850170 /nfs/dbraw/zinc/85/01/70/433850170.db2.gz VJRXOGOGTWUAMF-ZDUSSCGKSA-N 1 0 314.223 3.156 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c(O)c1 ZINC000294786301 434146420 /nfs/dbraw/zinc/14/64/20/434146420.db2.gz OBHXNXZNSAMBCB-RHSMWYFYSA-N 1 0 308.491 3.097 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000295032127 434162745 /nfs/dbraw/zinc/16/27/45/434162745.db2.gz NCWPCPSZDUBZHQ-IYBDPMFKSA-N 1 0 302.462 3.390 20 10 DGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCCOCC1 ZINC000363847215 434163363 /nfs/dbraw/zinc/16/33/63/434163363.db2.gz MMCPGTDNVWJRIK-UHFFFAOYSA-N 1 0 313.397 3.194 20 10 DGCDRO CCc1nc([C@H]2CCCCN2Cc2cccc(C)c2O)no1 ZINC000378442586 434180747 /nfs/dbraw/zinc/18/07/47/434180747.db2.gz KEVBSHQDRRDFLN-CQSZACIVSA-N 1 0 301.390 3.373 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1O ZINC000295123950 434212703 /nfs/dbraw/zinc/21/27/03/434212703.db2.gz NRAYTYKDHIZYJH-AWEZNQCLSA-N 1 0 322.449 3.484 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1C[C@H](C)Cc2ccccc21 ZINC000322137469 434260894 /nfs/dbraw/zinc/26/08/94/434260894.db2.gz PPESCWAYJZNRCK-OAHLLOKOSA-N 1 0 308.425 3.288 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2O)[C@@]12CCCO2 ZINC000364338595 434266040 /nfs/dbraw/zinc/26/60/40/434266040.db2.gz BDAVBMJSUJENQV-OWLYRPNTSA-N 1 0 305.418 3.160 20 10 DGCDRO C[C@H](O)C[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295940445 434443157 /nfs/dbraw/zinc/44/31/57/434443157.db2.gz GGNXFMNIPOCHKT-AWEZNQCLSA-N 1 0 304.459 3.197 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C1CCN(Cc3ccncc3)CC1)CC2 ZINC000296123256 434516563 /nfs/dbraw/zinc/51/65/63/434516563.db2.gz VLIQDSRVMCTMRK-GOSISDBHSA-N 1 0 323.440 3.029 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)c(O)c1 ZINC000366827809 434518239 /nfs/dbraw/zinc/51/82/39/434518239.db2.gz NNVNBARJVAUIJH-UHFFFAOYSA-N 1 0 315.398 3.142 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCCc1nc3ccccc3[nH]1)CC2 ZINC000296161357 434527681 /nfs/dbraw/zinc/52/76/81/434527681.db2.gz XHYOWXBUHPZOQT-MRXNPFEDSA-N 1 0 307.397 3.478 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1O ZINC000367687364 434555062 /nfs/dbraw/zinc/55/50/62/434555062.db2.gz QJOVPEISUHOHCS-LSDHHAIUSA-N 1 0 305.418 3.039 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000367973532 434563312 /nfs/dbraw/zinc/56/33/12/434563312.db2.gz PBZPJZLXYXOUDB-LJQANCHMSA-N 1 0 312.457 3.288 20 10 DGCDRO Cn1cc(-c2ccccc2C[NH2+]Cc2cc(F)ccc2O)cn1 ZINC000368592451 434577423 /nfs/dbraw/zinc/57/74/23/434577423.db2.gz QFNSWEULCUKFFC-UHFFFAOYSA-N 1 0 311.360 3.222 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1F ZINC000368765182 434583213 /nfs/dbraw/zinc/58/32/13/434583213.db2.gz MPOJKAWRUFNOAH-ZWKOTPCHSA-N 1 0 306.425 3.187 20 10 DGCDRO COc1cccc([C@@H](C[NH2+]Cc2cc(C)ccc2O)OC)c1 ZINC000527736328 435014374 /nfs/dbraw/zinc/01/43/74/435014374.db2.gz KSVAEIHOLINAOM-GOSISDBHSA-N 1 0 301.386 3.187 20 10 DGCDRO CO[C@H](Cc1ccc(F)cc1)C[N@H+](C)Cc1ccccc1O ZINC000528420341 435022776 /nfs/dbraw/zinc/02/27/76/435022776.db2.gz UQMNDRLJPVNTLF-QGZVFWFLSA-N 1 0 303.377 3.221 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)cc1C ZINC000293576009 335109308 /nfs/dbraw/zinc/10/93/08/335109308.db2.gz HIUGYUOCFHJCNS-SFHVURJKSA-N 1 0 314.429 3.248 20 10 DGCDRO CCc1nocc1CN(C)Cc1cc(Cl)cc(OC)c1O ZINC000293715757 335112331 /nfs/dbraw/zinc/11/23/31/335112331.db2.gz STWMSDWGNPRFAL-UHFFFAOYSA-N 1 0 310.781 3.237 20 10 DGCDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185177242 333204949 /nfs/dbraw/zinc/20/49/49/333204949.db2.gz NNPMCMSCINWFKU-AWEZNQCLSA-N 1 0 312.413 3.301 20 10 DGCDRO COc1cc(Cl)cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000368043824 336836533 /nfs/dbraw/zinc/83/65/33/336836533.db2.gz QDXOWTXZNOJXMU-IUODEOHRSA-N 1 0 324.852 3.113 20 10 DGCDRO CCSCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000360013210 337083852 /nfs/dbraw/zinc/08/38/52/337083852.db2.gz FMPRXRAMGZFBRT-UHFFFAOYSA-N 1 0 308.491 3.397 20 10 DGCDRO CC[N@H+](CCCCCO)Cc1cc(Br)ccc1O ZINC000266576950 521001613 /nfs/dbraw/zinc/00/16/13/521001613.db2.gz QOJMPPRDZLPEOY-UHFFFAOYSA-N 1 0 316.239 3.139 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(Cl)nc2)c1 ZINC000185750818 534205355 /nfs/dbraw/zinc/20/53/55/534205355.db2.gz GSKDCHHJHCTYBV-NSHDSACASA-N 1 0 306.793 3.343 20 10 DGCDRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2ccccc2O)CC1 ZINC000189483323 518799844 /nfs/dbraw/zinc/79/98/44/518799844.db2.gz GQHFNASOWFFEBH-UHFFFAOYSA-N 1 0 318.417 3.049 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2cccs2)c(O)c1 ZINC000265819188 520366608 /nfs/dbraw/zinc/36/66/08/520366608.db2.gz XOQMYDWGKQEIRV-QGZVFWFLSA-N 1 0 321.442 3.240 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2(CCO)CCCC2)c(O)c1 ZINC000266646770 520366730 /nfs/dbraw/zinc/36/67/30/520366730.db2.gz WLGDBDYOAVSIBX-UHFFFAOYSA-N 1 0 307.434 3.213 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000159082634 520615095 /nfs/dbraw/zinc/61/50/95/520615095.db2.gz KMGZODRNUNCIOU-UHFFFAOYSA-N 1 0 311.809 3.211 20 10 DGCDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000131381804 520742112 /nfs/dbraw/zinc/74/21/12/520742112.db2.gz WBZSXHMGMLNZJV-MRXNPFEDSA-N 1 0 307.457 3.055 20 10 DGCDRO CCN(CC)[C@@H](C[NH2+]Cc1cc(OC)ccc1O)c1ccco1 ZINC000181256114 520838382 /nfs/dbraw/zinc/83/83/82/520838382.db2.gz AFELSSTZAVJPBQ-INIZCTEOSA-N 1 0 318.417 3.167 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(O)c(OC)c2)c1 ZINC000179944988 521143784 /nfs/dbraw/zinc/14/37/84/521143784.db2.gz MWRPUPQMYKZBSD-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000179889643 521358805 /nfs/dbraw/zinc/35/88/05/521358805.db2.gz ZKYRHNUZTVDPSF-OAHLLOKOSA-N 1 0 312.413 3.092 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC1CCCC1 ZINC000266536844 521690839 /nfs/dbraw/zinc/69/08/39/521690839.db2.gz HKUZWHPGDAGXKI-CQSZACIVSA-N 1 0 304.434 3.052 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1O ZINC000156781036 522760682 /nfs/dbraw/zinc/76/06/82/522760682.db2.gz NNRFVIFKOUESMJ-JLJPHGGASA-N 1 0 307.459 3.488 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)C[C@@H](C)c2nccs2)cc1OC ZINC000182849218 522769937 /nfs/dbraw/zinc/76/99/37/522769937.db2.gz AZYLFABWXKRSIU-LLVKDONJSA-N 1 0 322.430 3.101 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(OC(C)(C)C)CC2)cc1OC ZINC000160402875 522771563 /nfs/dbraw/zinc/77/15/63/522771563.db2.gz YLJBFWIXEHAYCZ-UHFFFAOYSA-N 1 0 323.433 3.189 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2CCCc3occc32)cc1OC ZINC000182801814 522781677 /nfs/dbraw/zinc/78/16/77/522781677.db2.gz XUFFWXKXQHGEGS-ZDUSSCGKSA-N 1 0 303.358 3.170 20 10 DGCDRO CC[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccccc1O ZINC000155819792 522818977 /nfs/dbraw/zinc/81/89/77/522818977.db2.gz CBMBCFAMFYKTFQ-OAHLLOKOSA-N 1 0 304.434 3.082 20 10 DGCDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000191695395 523443479 /nfs/dbraw/zinc/44/34/79/523443479.db2.gz IHMFFYXGLYTTHS-GJZGRUSLSA-N 1 0 315.413 3.484 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCC34CCOCC4)ccc21 ZINC000368514284 523863490 /nfs/dbraw/zinc/86/34/90/523863490.db2.gz MLRFZUNDVMEPQJ-SFHVURJKSA-N 1 0 300.446 3.118 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000159479327 524007449 /nfs/dbraw/zinc/00/74/49/524007449.db2.gz XUXANCBFLNNJLH-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(n3ccnc3)CC2)c1O ZINC000179903058 524862146 /nfs/dbraw/zinc/86/21/46/524862146.db2.gz QHNSDMUVGLRQCB-UHFFFAOYSA-N 1 0 305.809 3.388 20 10 DGCDRO C[C@H]([NH2+]C1CCSCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180513286 525298729 /nfs/dbraw/zinc/29/87/29/525298729.db2.gz ZHXITANKOJKDLQ-ZDUSSCGKSA-N 1 0 324.465 3.209 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000160548596 525525515 /nfs/dbraw/zinc/52/55/15/525525515.db2.gz XGINOKLIHLBKJL-JLCFBVMHSA-N 1 0 316.470 3.341 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]C2(C)CCOCC2)c1O ZINC000182654102 526157904 /nfs/dbraw/zinc/15/79/04/526157904.db2.gz OTPASSRXZZSGIL-UHFFFAOYSA-N 1 0 314.223 3.122 20 10 DGCDRO Cc1cncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000189951855 526190972 /nfs/dbraw/zinc/19/09/72/526190972.db2.gz QXWPKUIQNNNPKA-GOSISDBHSA-N 1 0 312.413 3.277 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180766081 526325869 /nfs/dbraw/zinc/32/58/69/526325869.db2.gz FFESWHLGOBAHRX-CXAGYDPISA-N 1 0 320.864 3.494 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000180470895 526327565 /nfs/dbraw/zinc/32/75/65/526327565.db2.gz SYASCRZHDNQBHB-AWEZNQCLSA-N 1 0 308.853 3.353 20 10 DGCDRO Oc1ccccc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000238101654 526374171 /nfs/dbraw/zinc/37/41/71/526374171.db2.gz GOTRTPFWQMBYIP-MRXNPFEDSA-N 1 0 300.402 3.302 20 10 DGCDRO Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000160422735 527492302 /nfs/dbraw/zinc/49/23/02/527492302.db2.gz PLMMDAPVPXAJNL-SFHVURJKSA-N 1 0 309.413 3.262 20 10 DGCDRO CCOCc1cc(C[NH2+]CCCCCC(=O)OC)ccc1OC ZINC000289749580 529034647 /nfs/dbraw/zinc/03/46/47/529034647.db2.gz JAIGFTDMSXPVTO-UHFFFAOYSA-N 1 0 323.433 3.055 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccccc1O ZINC000183312599 529207289 /nfs/dbraw/zinc/20/72/89/529207289.db2.gz PTHJQGAVALXIJF-SJORKVTESA-N 1 0 310.397 3.238 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1 ZINC000280848862 535765140 /nfs/dbraw/zinc/76/51/40/535765140.db2.gz BJCVACQJTATMAF-DOTOQJQBSA-N 1 0 317.477 3.052 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2nnc(C)s2)cc1 ZINC000289933377 535765762 /nfs/dbraw/zinc/76/57/62/535765762.db2.gz VONMLSGGKMIOQK-LBPRGKRZSA-N 1 0 304.463 3.196 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)NCCCCCCC[NH+](C)C ZINC000299251531 535826718 /nfs/dbraw/zinc/82/67/18/535826718.db2.gz CEANNGJIGZUQKT-UHFFFAOYSA-N 1 0 321.465 3.046 20 10 DGCDRO COCCOc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000273361255 536733234 /nfs/dbraw/zinc/73/32/34/536733234.db2.gz DAPHEMKUTZTQFA-CYBMUJFWSA-N 1 0 319.376 3.407 20 10 DGCDRO COCC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000273412446 536808471 /nfs/dbraw/zinc/80/84/71/536808471.db2.gz IAMJDBMOPVHNPS-SWLSCSKDSA-N 1 0 305.374 3.422 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(C)(O)CC2)c(C(F)(F)F)c1 ZINC000280094906 546379809 /nfs/dbraw/zinc/37/98/09/546379809.db2.gz BAGQLAKWVWLRFA-UHFFFAOYSA-N 1 0 316.367 3.118 20 10 DGCDRO C[C@H]1Cc2ccccc2N(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000391411130 546758083 /nfs/dbraw/zinc/75/80/83/546758083.db2.gz OXSGIJWEAYNWBC-AWEZNQCLSA-N 1 0 306.409 3.171 20 10 DGCDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000731865464 574560654 /nfs/dbraw/zinc/56/06/54/574560654.db2.gz KLIIFDCNXFQTBO-UHFFFAOYSA-N 1 0 318.442 3.226 20 10 DGCDRO CCCCCC[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000731864458 574560656 /nfs/dbraw/zinc/56/06/56/574560656.db2.gz VQHPWFUROBQBHG-UHFFFAOYSA-N 1 0 319.493 3.223 20 10 DGCDRO CN(C[C@H]1CC1(Cl)Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410671 574573938 /nfs/dbraw/zinc/57/39/38/574573938.db2.gz GGTLVTJWWPTBJD-GFCCVEGCSA-N 1 0 317.260 3.257 20 10 DGCDRO Cc1cc(O)c(CN2CC[NH+](C3CCC3)CC2)cc1C(C)C ZINC000733297618 574613836 /nfs/dbraw/zinc/61/38/36/574613836.db2.gz MBGKUXNVANISRJ-UHFFFAOYSA-N 1 0 302.462 3.494 20 10 DGCDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1ccc(N(C)C)c(F)c1 ZINC000733325269 574615840 /nfs/dbraw/zinc/61/58/40/574615840.db2.gz HKVPUOXERXMMLD-OAGGEKHMSA-N 1 0 321.484 3.348 20 10 DGCDRO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613227 574632359 /nfs/dbraw/zinc/63/23/59/574632359.db2.gz FYWATBOIXGISTK-SFHVURJKSA-N 1 0 321.461 3.170 20 10 DGCDRO O=C(/C=C\c1cccnc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000739650585 574909671 /nfs/dbraw/zinc/90/96/71/574909671.db2.gz WLDUPAGGPCWICS-KHPPLWFESA-N 1 0 321.424 3.224 20 10 DGCDRO CCCOC(=O)[C@H](C)[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000741785044 574971073 /nfs/dbraw/zinc/97/10/73/574971073.db2.gz NSDGUEGMOMHXHH-AWEZNQCLSA-N 1 0 305.418 3.479 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCC[C@H]2C)cc1F ZINC000742386610 574995254 /nfs/dbraw/zinc/99/52/54/574995254.db2.gz JJLFAAJSYNTVBZ-OAHLLOKOSA-N 1 0 307.457 3.246 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)Cn2cncn2)c(C)n1-c1cccc(C)c1 ZINC000742724805 575015439 /nfs/dbraw/zinc/01/54/39/575015439.db2.gz BGCKAAXQNGISGQ-HNNXBMFYSA-N 1 0 323.444 3.172 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000743870491 575066717 /nfs/dbraw/zinc/06/67/17/575066717.db2.gz UFXLLKHRDBAZSO-GOSISDBHSA-N 1 0 324.424 3.410 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000729286284 575232496 /nfs/dbraw/zinc/23/24/96/575232496.db2.gz JHZNRUXFZREQLN-GFCCVEGCSA-N 1 0 319.474 3.226 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](COC)c2ccc(C)o2)c(O)c1 ZINC000747100320 575496347 /nfs/dbraw/zinc/49/63/47/575496347.db2.gz WRIIIAKNDUWHPK-HNNXBMFYSA-N 1 0 305.374 3.170 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCOC3)C1)CCC2 ZINC000747830241 575544860 /nfs/dbraw/zinc/54/48/60/575544860.db2.gz LQOYOAPASUBCRM-DLBZAZTESA-N 1 0 301.430 3.129 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCOc2ccccc2)c1O ZINC000748046921 575558257 /nfs/dbraw/zinc/55/82/57/575558257.db2.gz XEPBWPNDUYDWHB-UHFFFAOYSA-N 1 0 317.360 3.245 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000748245622 575574933 /nfs/dbraw/zinc/57/49/33/575574933.db2.gz BZAPNEICTDJEJS-QGZVFWFLSA-N 1 0 317.433 3.401 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c(O)c1 ZINC000749114604 575627674 /nfs/dbraw/zinc/62/76/74/575627674.db2.gz FTKZPNAQOYUZHN-SGTLLEGYSA-N 1 0 319.376 3.142 20 10 DGCDRO COC(=O)/C(C)=C\C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000749115916 575628341 /nfs/dbraw/zinc/62/83/41/575628341.db2.gz MAOOXNDIEXIBSU-PTNGSMBKSA-N 1 0 304.434 3.082 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](O)c1cccc(F)c1 ZINC000749116828 575628419 /nfs/dbraw/zinc/62/84/19/575628419.db2.gz MAEMWPQHFVDUOT-HWPZZCPQSA-N 1 0 309.768 3.396 20 10 DGCDRO CC[C@@H](C)C[N@H+](CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749116379 575628471 /nfs/dbraw/zinc/62/84/71/575628471.db2.gz OMNRLJRXYJPVPI-MRXNPFEDSA-N 1 0 319.493 3.079 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000749125808 575628940 /nfs/dbraw/zinc/62/89/40/575628940.db2.gz HQBQVGBRTMAJFM-HZSPNIEDSA-N 1 0 306.425 3.327 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)Cc2ccncc2)ccc1OC ZINC000749296072 575643513 /nfs/dbraw/zinc/64/35/13/575643513.db2.gz NPEMGLYQQLQTQT-HNNXBMFYSA-N 1 0 314.429 3.348 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000749571549 575665701 /nfs/dbraw/zinc/66/57/01/575665701.db2.gz YKHFQBIYTKNDRT-INIZCTEOSA-N 1 0 313.445 3.082 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000749799944 575679401 /nfs/dbraw/zinc/67/94/01/575679401.db2.gz PZUYCYIFTWIBMD-ZIAGYGMSSA-N 1 0 319.445 3.254 20 10 DGCDRO CCC[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccccc1O ZINC000750875756 575757145 /nfs/dbraw/zinc/75/71/45/575757145.db2.gz WOVCVRKWHALITP-WBVHZDCISA-N 1 0 318.461 3.299 20 10 DGCDRO CCC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccccc1O ZINC000750875754 575757148 /nfs/dbraw/zinc/75/71/48/575757148.db2.gz WOVCVRKWHALITP-NVXWUHKLSA-N 1 0 318.461 3.299 20 10 DGCDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000751605004 575793234 /nfs/dbraw/zinc/79/32/34/575793234.db2.gz NTJJEGMGRFCIRP-CZUORRHYSA-N 1 0 311.381 3.499 20 10 DGCDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000725780404 575912427 /nfs/dbraw/zinc/91/24/27/575912427.db2.gz UMADJSAQFSPHND-CQSZACIVSA-N 1 0 311.381 3.419 20 10 DGCDRO O=C(CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O)NC1CC1 ZINC000725846205 575928704 /nfs/dbraw/zinc/92/87/04/575928704.db2.gz XFOJIKJMHKQUOD-UHFFFAOYSA-N 1 0 324.424 3.208 20 10 DGCDRO CCOC(=O)CCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000726691952 576037072 /nfs/dbraw/zinc/03/70/72/576037072.db2.gz QEXQYSBKCMZVMF-UHFFFAOYSA-N 1 0 306.450 3.306 20 10 DGCDRO CCN(CC)c1ccc(CNCCC[N@H+](C)C(C)C)cc1F ZINC000740002471 576076167 /nfs/dbraw/zinc/07/61/67/576076167.db2.gz OFIAXRDVVPZELK-UHFFFAOYSA-N 1 0 309.473 3.492 20 10 DGCDRO CC[C@H](COC)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000738438960 576129664 /nfs/dbraw/zinc/12/96/64/576129664.db2.gz HANMYUXBFLVNEY-OAHLLOKOSA-N 1 0 321.421 3.100 20 10 DGCDRO CC[NH+](CC)[C@H](CNCc1ccc2c(c1)CCO2)CC(C)C ZINC000917395022 620666868 /nfs/dbraw/zinc/66/68/68/620666868.db2.gz ZEQYVWUULHKGGQ-SFHVURJKSA-N 1 0 304.478 3.468 20 10 DGCDRO FC(F)(F)c1ccncc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000853095709 620668638 /nfs/dbraw/zinc/66/86/38/620668638.db2.gz UQYYVWZQJXIHCY-UHFFFAOYSA-N 1 0 308.303 3.325 20 10 DGCDRO CN(CCC[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1F ZINC000917520106 620672825 /nfs/dbraw/zinc/67/28/25/620672825.db2.gz DRFKIAHOFONVGX-UHFFFAOYSA-N 1 0 314.404 3.377 20 10 DGCDRO CCn1nccc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000853241755 620681450 /nfs/dbraw/zinc/68/14/50/620681450.db2.gz XNPVJURAYKGFHA-SNVBAGLBSA-N 1 0 324.222 3.222 20 10 DGCDRO CC[C@@H](C)[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000154555512 620686853 /nfs/dbraw/zinc/68/68/53/620686853.db2.gz RLCSJBAFRYONOW-SECBINFHSA-N 1 0 302.212 3.394 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1C ZINC000918197926 620700548 /nfs/dbraw/zinc/70/05/48/620700548.db2.gz PKYKDBYITUBGEP-INIZCTEOSA-N 1 0 305.805 3.480 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000918196691 620700565 /nfs/dbraw/zinc/70/05/65/620700565.db2.gz BYMQFJUMIHSYQO-KRWDZBQOSA-N 1 0 304.821 3.229 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)c1O ZINC000853577862 620711866 /nfs/dbraw/zinc/71/18/66/620711866.db2.gz LUKJDRJJEZHAQR-CQSZACIVSA-N 1 0 305.418 3.243 20 10 DGCDRO C[NH+](C)Cc1ccsc1C(=O)NCc1cccc(Cl)c1O ZINC000890760539 617657201 /nfs/dbraw/zinc/65/72/01/617657201.db2.gz SLJNVHAZNNSHLJ-UHFFFAOYSA-N 1 0 324.833 3.099 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2F)CC1 ZINC000806133287 617671022 /nfs/dbraw/zinc/67/10/22/617671022.db2.gz KUABYQHDDRENSP-SJLPKXTDSA-N 1 0 318.436 3.065 20 10 DGCDRO COc1ccc(C[N@H+](C)CCc2ccc(F)cc2)c(O)c1OC ZINC000891742904 617887192 /nfs/dbraw/zinc/88/71/92/617887192.db2.gz GOJILPSVNBBEII-UHFFFAOYSA-N 1 0 319.376 3.223 20 10 DGCDRO COc1ccc(C[NH+]2CCC(OCC(C)C)CC2)c(O)c1OC ZINC000891754637 617889756 /nfs/dbraw/zinc/88/97/56/617889756.db2.gz IXTCDPIWYRBZTR-UHFFFAOYSA-N 1 0 323.433 3.046 20 10 DGCDRO COc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c(O)c1OC ZINC000892120341 617966273 /nfs/dbraw/zinc/96/62/73/617966273.db2.gz GXUKCTGDDIZXBL-HIFRSBDPSA-N 1 0 323.458 3.269 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c(O)c1OC ZINC000892130320 617970067 /nfs/dbraw/zinc/97/00/67/617970067.db2.gz KBTRHAGCJKWNIM-MRXNPFEDSA-N 1 0 313.397 3.226 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CS[C@@H](C)C3)CC2)cc1 ZINC000840856979 618022949 /nfs/dbraw/zinc/02/29/49/618022949.db2.gz SXGJEFSRLVQKLW-DZGCQCFKSA-N 1 0 306.475 3.148 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC000840875261 618051143 /nfs/dbraw/zinc/05/11/43/618051143.db2.gz LCZMOKDJCFNMTL-MRXNPFEDSA-N 1 0 309.768 3.316 20 10 DGCDRO COc1ccc(C)cc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892505023 618086421 /nfs/dbraw/zinc/08/64/21/618086421.db2.gz IRQIFHCGGVDDPV-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1ccc(C[NH2+]CC2(c3ccccc3)CC2)c(O)c1OC ZINC000892516540 618095735 /nfs/dbraw/zinc/09/57/35/618095735.db2.gz DRXMQPCFXUVSIU-UHFFFAOYSA-N 1 0 313.397 3.231 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cn(CC)nc2C)cc1 ZINC000892614112 618119300 /nfs/dbraw/zinc/11/93/00/618119300.db2.gz FDSDUCIMGVMUEG-UHFFFAOYSA-N 1 0 300.450 3.347 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2c1c(F)ccc2O ZINC000840886656 618129328 /nfs/dbraw/zinc/12/93/28/618129328.db2.gz KQHXSBSUPMVGRN-APKCBFJXSA-N 1 0 315.335 3.218 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000840894446 618337567 /nfs/dbraw/zinc/33/75/67/618337567.db2.gz RNZAYKYOJDFWHE-CABCVRRESA-N 1 0 300.450 3.076 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cn(C)nc2C2CCCC2)c1O ZINC000894458928 618340462 /nfs/dbraw/zinc/34/04/62/618340462.db2.gz ZEOOVTSQCRJYKV-UHFFFAOYSA-N 1 0 315.417 3.082 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@]2(C)Br)c1 ZINC000894503266 618359540 /nfs/dbraw/zinc/35/95/40/618359540.db2.gz ZRYAGBWTOAGEAO-IMSIIYSGSA-N 1 0 314.223 3.225 20 10 DGCDRO CCCN(Cc1cnc2onc(C)c2c1)c1ccc(C[NH3+])cc1 ZINC000894570546 618389721 /nfs/dbraw/zinc/38/97/21/618389721.db2.gz ZKFBJRAKLMYFIX-UHFFFAOYSA-N 1 0 310.401 3.407 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccc(C)o2)c(O)c1OC ZINC000893076685 618415197 /nfs/dbraw/zinc/41/51/97/618415197.db2.gz DHSJBTPOTJDZSJ-LBPRGKRZSA-N 1 0 319.401 3.422 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1O ZINC000894678732 618420836 /nfs/dbraw/zinc/42/08/36/618420836.db2.gz FUCVBUAWLFZUDP-QGZVFWFLSA-N 1 0 315.413 3.149 20 10 DGCDRO COc1ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c(O)c1OC ZINC000894710760 618433328 /nfs/dbraw/zinc/43/33/28/618433328.db2.gz COAGVOAWHBZSLM-ZDUSSCGKSA-N 1 0 320.216 3.083 20 10 DGCDRO CCOCCC1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCC1 ZINC000893171949 618458157 /nfs/dbraw/zinc/45/81/57/618458157.db2.gz AESLZJPAXCWLPQ-UHFFFAOYSA-N 1 0 323.433 3.096 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)C2(O)CCCC2)c1O ZINC000894941512 618502766 /nfs/dbraw/zinc/50/27/66/618502766.db2.gz MKJWWHJBXGTZTR-UHFFFAOYSA-N 1 0 307.434 3.130 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000840911817 618525493 /nfs/dbraw/zinc/52/54/93/618525493.db2.gz SHZXQIBHHKHUTO-QGZVFWFLSA-N 1 0 312.461 3.174 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000840911816 618525714 /nfs/dbraw/zinc/52/57/14/618525714.db2.gz SHZXQIBHHKHUTO-KRWDZBQOSA-N 1 0 312.461 3.174 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)c(O)c1OC ZINC000893354976 618528036 /nfs/dbraw/zinc/52/80/36/618528036.db2.gz AEYQQOQOQKWQIL-HUUCEWRRSA-N 1 0 305.418 3.468 20 10 DGCDRO COc1ccc(C[NH2+]CCC2(CSC)CC2)c(O)c1OC ZINC000895339374 618596991 /nfs/dbraw/zinc/59/69/91/618596991.db2.gz MREFWLKDFGUXPB-UHFFFAOYSA-N 1 0 311.447 3.032 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000840928186 618600613 /nfs/dbraw/zinc/60/06/13/618600613.db2.gz LWYMIJZPIXALQK-GOSISDBHSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C(F)(F)F)CCCN2)c(O)c1 ZINC000925852753 618646365 /nfs/dbraw/zinc/64/63/65/618646365.db2.gz GHNPVBVFGCRJIM-BXUZGUMPSA-N 1 0 302.340 3.036 20 10 DGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000840975375 618651737 /nfs/dbraw/zinc/65/17/37/618651737.db2.gz GOHHAHOYLOJITN-LJQANCHMSA-N 1 0 313.397 3.321 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1O ZINC000894020551 618693954 /nfs/dbraw/zinc/69/39/54/618693954.db2.gz HJPYAYDNCQGDGE-CQSZACIVSA-N 1 0 315.413 3.478 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000894199499 618727105 /nfs/dbraw/zinc/72/71/05/618727105.db2.gz LCSFSSVZVJQAMV-MRXNPFEDSA-N 1 0 317.433 3.110 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](OC)c2ccccc2)c1O ZINC000894199827 618727594 /nfs/dbraw/zinc/72/75/94/618727594.db2.gz QWJPWXUFNNWYDU-QGZVFWFLSA-N 1 0 301.386 3.187 20 10 DGCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)cs1 ZINC000894255627 618741403 /nfs/dbraw/zinc/74/14/03/618741403.db2.gz HBAJNPDIOGDHDU-UHFFFAOYSA-N 1 0 318.442 3.199 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)c1O ZINC000894259861 618743869 /nfs/dbraw/zinc/74/38/69/618743869.db2.gz ZNQZEEIJLZWSDR-YVEFUNNKSA-N 1 0 319.376 3.060 20 10 DGCDRO COc1ccc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c(O)c1OC ZINC000894277234 618749870 /nfs/dbraw/zinc/74/98/70/618749870.db2.gz GOTDLWWPEBHMPG-CHWSQXEVSA-N 1 0 323.433 3.093 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)c2c(C)noc2C)c1O ZINC000894353829 618770908 /nfs/dbraw/zinc/77/09/08/618770908.db2.gz DPXGVDXSAOGLEO-NSHDSACASA-N 1 0 304.390 3.207 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)c1O ZINC000894370361 618773504 /nfs/dbraw/zinc/77/35/04/618773504.db2.gz JXOZDPJZQVWZQW-GXTWGEPZSA-N 1 0 321.442 3.373 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C2CCC(F)CC2)c(O)c1OC ZINC000895436972 618784218 /nfs/dbraw/zinc/78/42/18/618784218.db2.gz GYSXBTNVDZSVCC-LKSINWNRSA-N 1 0 311.397 3.416 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c(O)c1OC ZINC000895491122 618791087 /nfs/dbraw/zinc/79/10/87/618791087.db2.gz FXGHZNRTGVADFL-OAHLLOKOSA-N 1 0 323.433 3.046 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC(C)(C)CO2)c1O ZINC000895802579 618833688 /nfs/dbraw/zinc/83/36/88/618833688.db2.gz MWENONGQISVJBJ-CYBMUJFWSA-N 1 0 313.825 3.349 20 10 DGCDRO CCOc1ccc(CN2CCC(CC)([NH+]3CCC3)CC2)c(O)c1 ZINC000895827244 618833948 /nfs/dbraw/zinc/83/39/48/618833948.db2.gz IHTRZHUSTNTBTR-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(O)ccc2Cl)c(O)c1OC ZINC000896019484 618863000 /nfs/dbraw/zinc/86/30/00/618863000.db2.gz VMOXYZKWAOTXQS-UHFFFAOYSA-N 1 0 323.776 3.058 20 10 DGCDRO Cc1nc([C@@H]2CC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)no1 ZINC000896231748 618889663 /nfs/dbraw/zinc/88/96/63/618889663.db2.gz DGZWHTVPTKUGJH-LLVKDONJSA-N 1 0 307.781 3.035 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(c3ccn(C)n3)CC2)cc1 ZINC000896495563 618920651 /nfs/dbraw/zinc/92/06/51/618920651.db2.gz PDLGQSNXGDEKSU-SNAWJCMRSA-N 1 0 324.472 3.379 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2CCSC3(CCC3)C2)cc1OC ZINC000896950162 618992665 /nfs/dbraw/zinc/99/26/65/618992665.db2.gz CHLQENOTMSGPSO-ZDUSSCGKSA-N 1 0 323.458 3.317 20 10 DGCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(C)cc3O)C2)n1 ZINC000897040856 619007192 /nfs/dbraw/zinc/00/71/92/619007192.db2.gz AVWXQGFYPGXNTO-GXTWGEPZSA-N 1 0 301.390 3.072 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cccc(C)c3O)C2)n1 ZINC000897043002 619007476 /nfs/dbraw/zinc/00/74/76/619007476.db2.gz JCANXNSVYNZCAV-OCCSQVGLSA-N 1 0 301.390 3.072 20 10 DGCDRO COc1ccc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1C ZINC000897417068 619108545 /nfs/dbraw/zinc/10/85/45/619108545.db2.gz BMFMUYGPDMGVKC-GFCCVEGCSA-N 1 0 315.369 3.289 20 10 DGCDRO CC[C@H]([NH2+]CCCONC(=O)OC(C)(C)C)c1ccccc1O ZINC000897426283 619111205 /nfs/dbraw/zinc/11/12/05/619111205.db2.gz PBKZQBZHOGMPDR-AWEZNQCLSA-N 1 0 324.421 3.279 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)ccc1OC ZINC000897511519 619142046 /nfs/dbraw/zinc/14/20/46/619142046.db2.gz MUZNZINGCCAFJT-IEBWSBKVSA-N 1 0 319.445 3.279 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000897537444 619150691 /nfs/dbraw/zinc/15/06/91/619150691.db2.gz YLDBYBSGRZULJD-DDUKWOAZSA-N 1 0 302.462 3.297 20 10 DGCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000897579013 619162455 /nfs/dbraw/zinc/16/24/55/619162455.db2.gz MEAQDICTCWQZPZ-LBPRGKRZSA-N 1 0 321.808 3.192 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H]1O ZINC000897679199 619172796 /nfs/dbraw/zinc/17/27/96/619172796.db2.gz IOGSWLONCUSLQQ-KDOFPFPSSA-N 1 0 316.470 3.197 20 10 DGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)c1cncs1 ZINC000897929788 619195733 /nfs/dbraw/zinc/19/57/33/619195733.db2.gz AGBYZSHCZGPYSR-QMMMGPOBSA-N 1 0 313.220 3.462 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1F ZINC000897971546 619196493 /nfs/dbraw/zinc/19/64/93/619196493.db2.gz YIAJGDMNMBXTQO-UHFFFAOYSA-N 1 0 324.415 3.468 20 10 DGCDRO CCOc1ccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)c(O)c1 ZINC000897973746 619196957 /nfs/dbraw/zinc/19/69/57/619196957.db2.gz YQCLYEJVVWKZHN-UHFFFAOYSA-N 1 0 305.418 3.228 20 10 DGCDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(N(C)C)c(F)c1)CCO2 ZINC000897974494 619197054 /nfs/dbraw/zinc/19/70/54/619197054.db2.gz JTUUMLKRGMXGAZ-MSOLQXFVSA-N 1 0 322.424 3.057 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(CCO)cc2)cc1 ZINC000898172639 619220314 /nfs/dbraw/zinc/22/03/14/619220314.db2.gz SSVZOGYKWMIJBK-UHFFFAOYSA-N 1 0 312.457 3.357 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000841041451 619243015 /nfs/dbraw/zinc/24/30/15/619243015.db2.gz CJCMKASRNBTLOE-KRWDZBQOSA-N 1 0 303.837 3.196 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccccc1O ZINC000926923791 619249686 /nfs/dbraw/zinc/24/96/86/619249686.db2.gz YUQHUTXIHLUGKP-GXTWGEPZSA-N 1 0 316.367 3.460 20 10 DGCDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000924706296 619261478 /nfs/dbraw/zinc/26/14/78/619261478.db2.gz GIMCRTMDAVCKKD-HWWDLCQESA-N 1 0 320.502 3.000 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCOC2CCSCC2)c(Cl)c1 ZINC000898441212 619276095 /nfs/dbraw/zinc/27/60/95/619276095.db2.gz PCBLAOMDYIFGBB-UHFFFAOYSA-N 1 0 315.866 3.356 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]CCOC1CCSCC1 ZINC000898441687 619276606 /nfs/dbraw/zinc/27/66/06/619276606.db2.gz BYEZWQHWCIXAIW-UHFFFAOYSA-N 1 0 301.839 3.047 20 10 DGCDRO O[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000898555466 619284965 /nfs/dbraw/zinc/28/49/65/619284965.db2.gz MKKVFTHBJIQJKI-NZSAHSFTSA-N 1 0 300.446 3.022 20 10 DGCDRO CC[C@@H]([NH3+])c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379484 625357033 /nfs/dbraw/zinc/35/70/33/625357033.db2.gz SDFYVCGUSAWJCG-MRXNPFEDSA-N 1 0 313.449 3.035 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3CC[C@@H]3OC)c2c1 ZINC000902639210 619660362 /nfs/dbraw/zinc/66/03/62/619660362.db2.gz PAKCXDYGFWQKMD-WMZOPIPTSA-N 1 0 301.386 3.163 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2COc3ccccc3C2)c1 ZINC000902868239 619684536 /nfs/dbraw/zinc/68/45/36/619684536.db2.gz JZLHXXHKDKBGKN-XJKSGUPXSA-N 1 0 313.397 3.130 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](c2nncn2C)C(C)C)cc1 ZINC000903063058 619708752 /nfs/dbraw/zinc/70/87/52/619708752.db2.gz YKYWJMPGAZYUNA-PBHICJAKSA-N 1 0 315.465 3.319 20 10 DGCDRO CC[C@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1ccc(C)cc1O ZINC000903063416 619709051 /nfs/dbraw/zinc/70/90/51/619709051.db2.gz FCGWCXGCYAMJEH-GOEBONIOSA-N 1 0 302.422 3.267 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCONC(=O)OC(C)(C)C)c(O)c1 ZINC000903239152 619742574 /nfs/dbraw/zinc/74/25/74/619742574.db2.gz JGURTGBDCWBRHV-CYBMUJFWSA-N 1 0 324.421 3.198 20 10 DGCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903256123 619745778 /nfs/dbraw/zinc/74/57/78/619745778.db2.gz HKDSUBPMNTXTAK-SWLSCSKDSA-N 1 0 317.351 3.453 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1cc(F)ccc1O ZINC000903289715 619754835 /nfs/dbraw/zinc/75/48/35/619754835.db2.gz NAPDHLYOWOSLLT-CJNGLKHVSA-N 1 0 303.377 3.176 20 10 DGCDRO CO[C@]1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CCSC1 ZINC000903314738 619758370 /nfs/dbraw/zinc/75/83/70/619758370.db2.gz PFCQFSMYCOVKDN-SIVJFFJCSA-N 1 0 311.422 3.191 20 10 DGCDRO CC[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000903352245 619763304 /nfs/dbraw/zinc/76/33/04/619763304.db2.gz CCVJWUASWAGISG-OLZOCXBDSA-N 1 0 323.433 3.419 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1cc(Cl)ccc1O ZINC000903391605 619766462 /nfs/dbraw/zinc/76/64/62/619766462.db2.gz ZIKNESWSXSPVPY-XHDPSFHLSA-N 1 0 311.809 3.034 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC23CCOCC3)c2c1c(F)ccc2O ZINC000903389897 619771009 /nfs/dbraw/zinc/77/10/09/619771009.db2.gz PBFNDRJYBGBFJW-UXIGCNINSA-N 1 0 321.392 3.007 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccns1 ZINC000903447675 619778269 /nfs/dbraw/zinc/77/82/69/619778269.db2.gz AUVHPNSFYRKLGF-CJNGLKHVSA-N 1 0 318.490 3.163 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccoc1 ZINC000903447808 619778329 /nfs/dbraw/zinc/77/83/29/619778329.db2.gz CUSWTTZTYJQYQK-KSSFIOAISA-N 1 0 301.434 3.299 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCOc3ccc(N)cc3C2)cc1 ZINC000903943756 619842364 /nfs/dbraw/zinc/84/23/64/619842364.db2.gz BMLBRMITHDHVKP-ONEGZZNKSA-N 1 0 323.440 3.243 20 10 DGCDRO CN(C)c1ccc(CNCc2cc(N)cc[nH+]2)c(C(F)(F)F)c1 ZINC000903954344 619846511 /nfs/dbraw/zinc/84/65/11/619846511.db2.gz QXVVFELBUYPWRO-UHFFFAOYSA-N 1 0 324.350 3.038 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1C[NH3+] ZINC000904412067 619920610 /nfs/dbraw/zinc/92/06/10/619920610.db2.gz PDSOAQPCJOPXGZ-VHSXEESVSA-N 1 0 303.233 3.116 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)CCSC)CC2)cc1 ZINC000151087655 620422594 /nfs/dbraw/zinc/42/25/94/620422594.db2.gz DJPPFBAJZCYUTI-CQSZACIVSA-N 1 0 308.491 3.395 20 10 DGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151514845 620453738 /nfs/dbraw/zinc/45/37/38/620453738.db2.gz DVBBGNIFMFYAKM-KGLIPLIRSA-N 1 0 308.441 3.311 20 10 DGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151514718 620453748 /nfs/dbraw/zinc/45/37/48/620453748.db2.gz DVBBGNIFMFYAKM-ZIAGYGMSSA-N 1 0 308.441 3.311 20 10 DGCDRO FC(F)(F)COCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921525546 620897995 /nfs/dbraw/zinc/89/79/95/620897995.db2.gz TYPXRRMBAYTTES-UHFFFAOYSA-N 1 0 303.324 3.070 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1F ZINC000113317270 620900429 /nfs/dbraw/zinc/90/04/29/620900429.db2.gz SHKVOGQUEBATJJ-QGZVFWFLSA-N 1 0 322.811 3.368 20 10 DGCDRO COc1cccc2c1OC[C@H]([NH2+]Cc1c(O)cccc1Cl)C2 ZINC000113335055 620904490 /nfs/dbraw/zinc/90/44/90/620904490.db2.gz QIMVEOFXCUDSCM-GFCCVEGCSA-N 1 0 319.788 3.148 20 10 DGCDRO O=C(CC[NH2+]Cc1c(O)cccc1Cl)Nc1ccccc1 ZINC000113346696 620904817 /nfs/dbraw/zinc/90/48/17/620904817.db2.gz HUNDIIHUDRQYCH-UHFFFAOYSA-N 1 0 304.777 3.164 20 10 DGCDRO CC(C)[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccnn1C ZINC000788077568 620906810 /nfs/dbraw/zinc/90/68/10/620906810.db2.gz XOFZCJRRRYWNEX-OAHLLOKOSA-N 1 0 318.440 3.155 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cccc4[nH]c(=O)oc43)ccc21 ZINC000921624915 620917689 /nfs/dbraw/zinc/91/76/89/620917689.db2.gz GPURPDYCRXQDCJ-UHFFFAOYSA-N 1 0 323.396 3.206 20 10 DGCDRO O=C(CC[NH2+]Cc1ccc2c(c1)CCCO2)Nc1ccccc1 ZINC000921736141 620941737 /nfs/dbraw/zinc/94/17/37/620941737.db2.gz DDASRKWFHYLYQD-UHFFFAOYSA-N 1 0 310.397 3.130 20 10 DGCDRO OCC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccs1 ZINC000921771073 620947138 /nfs/dbraw/zinc/94/71/38/620947138.db2.gz PFUXAANGTLIPTJ-HNNXBMFYSA-N 1 0 303.427 3.286 20 10 DGCDRO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921794553 620950375 /nfs/dbraw/zinc/95/03/75/620950375.db2.gz VTQZUDRBMGIWSG-KRWDZBQOSA-N 1 0 311.429 3.395 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](O)c1cccc(F)c1 ZINC000921818127 620954874 /nfs/dbraw/zinc/95/48/74/620954874.db2.gz XQVGUZBRAIRZLR-YJYMSZOUSA-N 1 0 315.388 3.362 20 10 DGCDRO COCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccco1 ZINC000921981280 620976798 /nfs/dbraw/zinc/97/67/98/620976798.db2.gz SLLZJLYWWQQWFX-MRXNPFEDSA-N 1 0 301.386 3.472 20 10 DGCDRO c1cncc([C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)c1 ZINC000922162731 620999002 /nfs/dbraw/zinc/99/90/02/620999002.db2.gz JAKIRSHFEQNBST-ICSRJNTNSA-N 1 0 324.424 3.417 20 10 DGCDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(F)cc1 ZINC000922186986 621003036 /nfs/dbraw/zinc/00/30/36/621003036.db2.gz XOJPGKKXSNKEBR-KRWDZBQOSA-N 1 0 315.388 3.016 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCO[C@@H]2CCCCO2)c(Cl)c1 ZINC000922230636 621009669 /nfs/dbraw/zinc/00/96/69/621009669.db2.gz HFCQZETTYAZMNC-MRXNPFEDSA-N 1 0 313.825 3.377 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)CCCO2 ZINC000922315161 621022449 /nfs/dbraw/zinc/02/24/49/621022449.db2.gz WAJDETWWZRRMTQ-PKOBYXMFSA-N 1 0 301.430 3.306 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cc(OC)ccc2F)c1O ZINC000856801212 621023333 /nfs/dbraw/zinc/02/33/33/621023333.db2.gz LZSRDXKZDUBWHR-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO C[C@H]([NH2+]CC1CC(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000857084582 621056560 /nfs/dbraw/zinc/05/65/60/621056560.db2.gz WWHVWYRJEPOTHF-SLTAFYQDSA-N 1 0 306.425 3.359 20 10 DGCDRO CCOc1ccc(C[NH2+]CCc2nc3c(s2)CCC3)c(O)c1 ZINC000922715457 621088175 /nfs/dbraw/zinc/08/81/75/621088175.db2.gz SMLQHAYTKHPRDP-UHFFFAOYSA-N 1 0 318.442 3.068 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922729238 621091839 /nfs/dbraw/zinc/09/18/39/621091839.db2.gz OKTYTTROKFOOPI-IONNQARKSA-N 1 0 324.140 3.443 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCS1 ZINC000922838901 621107754 /nfs/dbraw/zinc/10/77/54/621107754.db2.gz OXWADVUMCINHRV-ZBFHGGJFSA-N 1 0 320.502 3.021 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CC1CCN(CC(F)F)CC1 ZINC000857784537 621118956 /nfs/dbraw/zinc/11/89/56/621118956.db2.gz LJOLWUKNUPCGIK-UHFFFAOYSA-N 1 0 318.795 3.112 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1F ZINC000922899002 621129302 /nfs/dbraw/zinc/12/93/02/621129302.db2.gz VLVJUQOEJDKLPN-QAPCUYQASA-N 1 0 306.425 3.187 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2([C@H]3CCCCO3)CC2)cc1 ZINC000923028392 621149577 /nfs/dbraw/zinc/14/95/77/621149577.db2.gz PUYCTRVRDNYFGR-OOFWQKGWSA-N 1 0 300.446 3.457 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858105139 621153191 /nfs/dbraw/zinc/15/31/91/621153191.db2.gz KAYDVRKEDDXEDN-GOSISDBHSA-N 1 0 320.383 3.162 20 10 DGCDRO C[C@@H](O)c1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858106970 621153620 /nfs/dbraw/zinc/15/36/20/621153620.db2.gz VPDWXYNBRQVWFP-GFCCVEGCSA-N 1 0 320.383 3.374 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cccc4n[nH]cc43)ccc21 ZINC000858115934 621154474 /nfs/dbraw/zinc/15/44/74/621154474.db2.gz GNLWFVFAJFTYIS-UHFFFAOYSA-N 1 0 306.413 3.235 20 10 DGCDRO COCCC(C)(C)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858157520 621159691 /nfs/dbraw/zinc/15/96/91/621159691.db2.gz YKKFONCYPFGCDM-UHFFFAOYSA-N 1 0 300.393 3.183 20 10 DGCDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Br)[C@@H](O)C(C)C ZINC000858177855 621161572 /nfs/dbraw/zinc/16/15/72/621161572.db2.gz HIVRWMSGMYKUOY-OCCSQVGLSA-N 1 0 316.239 3.040 20 10 DGCDRO COC1([C@H](C)[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000858179116 621162093 /nfs/dbraw/zinc/16/20/93/621162093.db2.gz YVOYUUDBXUDTIH-JTQLQIEISA-N 1 0 314.223 3.202 20 10 DGCDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858184612 621162578 /nfs/dbraw/zinc/16/25/78/621162578.db2.gz NJFDZCIVKOMGNK-GXFFZTMASA-N 1 0 316.239 3.041 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC[C@@H]3CCCOC3)CC2)cc1 ZINC000858207317 621164552 /nfs/dbraw/zinc/16/45/52/621164552.db2.gz OVYOKDMHPUMXNN-INIZCTEOSA-N 1 0 318.461 3.070 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c(O)c1 ZINC000858211030 621164993 /nfs/dbraw/zinc/16/49/93/621164993.db2.gz CVMKUTFGCLUCOA-SFHVURJKSA-N 1 0 313.397 3.022 20 10 DGCDRO COc1cc(C[NH2+][C@]23C[C@H]2COC3(C)C)c(O)c(C(C)(C)C)c1 ZINC000858229633 621166397 /nfs/dbraw/zinc/16/63/97/621166397.db2.gz FCCXFEWLBLJWLT-ORAYPTAESA-N 1 0 319.445 3.355 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCCN2CC(F)F)cc1 ZINC000858231743 621166801 /nfs/dbraw/zinc/16/68/01/621166801.db2.gz PJQXBXKGUXNOFT-MAVJXHJTSA-N 1 0 323.431 3.085 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCN2CC(F)F)cc1 ZINC000858231741 621166812 /nfs/dbraw/zinc/16/68/12/621166812.db2.gz PJQXBXKGUXNOFT-IVZVJUQRSA-N 1 0 323.431 3.085 20 10 DGCDRO COc1cccc(C[NH2+]CC(C)(C)c2ccc(C)cn2)c1O ZINC000858242674 621167946 /nfs/dbraw/zinc/16/79/46/621167946.db2.gz ZIDANGDQZHTEMT-UHFFFAOYSA-N 1 0 300.402 3.172 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCCCO1 ZINC000858355378 621180452 /nfs/dbraw/zinc/18/04/52/621180452.db2.gz SSSOCFYMLTWUQQ-QAPCUYQASA-N 1 0 320.502 3.287 20 10 DGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)C(C)C ZINC000756628585 621185626 /nfs/dbraw/zinc/18/56/26/621185626.db2.gz WISXNNGTXOWHFM-YGRLFVJLSA-N 1 0 316.239 3.476 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3nc(C)cs3)C2)cc1 ZINC000858431364 621189923 /nfs/dbraw/zinc/18/99/23/621189923.db2.gz VZIDKWHGWICQQH-KBPBESRZSA-N 1 0 317.458 3.390 20 10 DGCDRO CCn1nncc1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000858440468 621191311 /nfs/dbraw/zinc/19/13/11/621191311.db2.gz VTCRFPRJGRURNJ-HNNXBMFYSA-N 1 0 313.449 3.139 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c1 ZINC000858453400 621193091 /nfs/dbraw/zinc/19/30/91/621193091.db2.gz KVPDUOHGMVGVPB-DYVFJYSZSA-N 1 0 313.397 3.193 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(N(C)C)cc1 ZINC000858478899 621196227 /nfs/dbraw/zinc/19/62/27/621196227.db2.gz DQAFGZJNIUFDBY-CJNGLKHVSA-N 1 0 311.420 3.133 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cc(Cl)ccc1O ZINC000858479397 621196248 /nfs/dbraw/zinc/19/62/48/621196248.db2.gz QYYRKFVJLJCOMW-PWSUYJOCSA-N 1 0 318.795 3.426 20 10 DGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000858543957 621203302 /nfs/dbraw/zinc/20/33/02/621203302.db2.gz QQAGPSZETZRFDS-ZIFCJYIRSA-N 1 0 311.425 3.427 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc2ccccc2c1O ZINC000858602985 621208898 /nfs/dbraw/zinc/20/88/98/621208898.db2.gz ONUMZUWYTAJVIW-ACJLOTCBSA-N 1 0 324.424 3.349 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858602556 621209097 /nfs/dbraw/zinc/20/90/97/621209097.db2.gz BVOKXQAFTZPJOO-ABAIWWIYSA-N 1 0 322.836 3.158 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858602557 621209198 /nfs/dbraw/zinc/20/91/98/621209198.db2.gz BVOKXQAFTZPJOO-IAQYHMDHSA-N 1 0 322.836 3.158 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]CCc2cn(C)cn2)cc1 ZINC000839148416 621333514 /nfs/dbraw/zinc/33/35/14/621333514.db2.gz JFHUWDPPUASVRY-UHFFFAOYSA-N 1 0 314.477 3.379 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c1O ZINC000839182842 621343641 /nfs/dbraw/zinc/34/36/41/621343641.db2.gz QILNZRSRYKPBPO-ZIAGYGMSSA-N 1 0 311.809 3.101 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ccn(C)n2)c1O ZINC000839190122 621346131 /nfs/dbraw/zinc/34/61/31/621346131.db2.gz CTOBXFWZUZVSOD-JTQLQIEISA-N 1 0 324.222 3.047 20 10 DGCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000839478131 621379252 /nfs/dbraw/zinc/37/92/52/621379252.db2.gz CVJRWOVZWGGXJF-UHFFFAOYSA-N 1 0 319.493 3.173 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1cncs1)C[C@@H]1CCCO1 ZINC000839517336 621381138 /nfs/dbraw/zinc/38/11/38/621381138.db2.gz SIHWCBNWYLVYHF-HNNXBMFYSA-N 1 0 318.442 3.072 20 10 DGCDRO CC(C)(C)C(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000753747651 621463036 /nfs/dbraw/zinc/46/30/36/621463036.db2.gz LEKIAJQNHZSEFW-MRXNPFEDSA-N 1 0 319.445 3.379 20 10 DGCDRO COC[C@@H](O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000117946349 621470399 /nfs/dbraw/zinc/47/03/99/621470399.db2.gz BTLBPPJCLMHLAT-HNNXBMFYSA-N 1 0 323.477 3.084 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000754731497 621529038 /nfs/dbraw/zinc/52/90/38/621529038.db2.gz GUMSHGBUSFJDFV-GOSISDBHSA-N 1 0 302.462 3.459 20 10 DGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C1(C)C ZINC000754740987 621529887 /nfs/dbraw/zinc/52/98/87/621529887.db2.gz KDUIFSRJUWFRKM-JKSUJKDBSA-N 1 0 307.434 3.345 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC(c3ccccn3)CC2)c1O ZINC000754748275 621530559 /nfs/dbraw/zinc/53/05/59/621530559.db2.gz IOPUTDAMFSPUHU-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000118783725 621560667 /nfs/dbraw/zinc/56/06/67/621560667.db2.gz DFWOXNOCEJWDML-INIZCTEOSA-N 1 0 318.461 3.395 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1F ZINC000862353809 621576793 /nfs/dbraw/zinc/57/67/93/621576793.db2.gz AREALQKRLGIMKS-ZDUSSCGKSA-N 1 0 317.383 3.415 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@](C)(CO)c2cccc(O)c2)cc1Cl ZINC000862433069 621589258 /nfs/dbraw/zinc/58/92/58/621589258.db2.gz SXAUEUPDIDCURK-QGZVFWFLSA-N 1 0 321.804 3.057 20 10 DGCDRO COc1cc(O)c(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1OC ZINC000862445026 621591376 /nfs/dbraw/zinc/59/13/76/621591376.db2.gz ZZHDRXHDFFYINL-PHIMTYICSA-N 1 0 315.360 3.133 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862489558 621595730 /nfs/dbraw/zinc/59/57/30/621595730.db2.gz PDHKMQYUOPDXNS-RTRPANQVSA-N 1 0 314.429 3.007 20 10 DGCDRO CCN(CC[NH2+][C@H](C)c1ccccc1O)CCC(F)(F)F ZINC000756049875 621612041 /nfs/dbraw/zinc/61/20/41/621612041.db2.gz LBXRQEMYRHKNQB-GFCCVEGCSA-N 1 0 304.356 3.317 20 10 DGCDRO Cc1ccc(O)c(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000862756089 621613823 /nfs/dbraw/zinc/61/38/23/621613823.db2.gz PVBGYBZCRTUHNN-UHFFFAOYSA-N 1 0 324.424 3.226 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c(O)c1C ZINC000756353463 621630103 /nfs/dbraw/zinc/63/01/03/621630103.db2.gz ZQACBUGPNHCILA-GJZGRUSLSA-N 1 0 313.397 3.500 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c(O)c1C ZINC000756355679 621630610 /nfs/dbraw/zinc/63/06/10/621630610.db2.gz QSJMBVNHCZRHFQ-IRXDYDNUSA-N 1 0 320.477 3.016 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1C ZINC000756365510 621631389 /nfs/dbraw/zinc/63/13/89/621631389.db2.gz ASGZRZSYYAFZNM-HLLBOEOZSA-N 1 0 320.477 3.159 20 10 DGCDRO Cc1n[nH]cc1CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756398434 621635651 /nfs/dbraw/zinc/63/56/51/621635651.db2.gz GADXJZYNODZKHP-YGRLFVJLSA-N 1 0 303.381 3.334 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)c2c1c(F)ccc2O ZINC000756416489 621636810 /nfs/dbraw/zinc/63/68/10/621636810.db2.gz HRKAMLTZRSXBIQ-RISCZKNCSA-N 1 0 321.392 3.355 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCN2CCC(C)CC2)c2c1c(F)ccc2O ZINC000756412953 621636918 /nfs/dbraw/zinc/63/69/18/621636918.db2.gz WMNGUPHMIWKGCM-ZFWWWQNUSA-N 1 0 306.425 3.401 20 10 DGCDRO C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C[NH+]1CCCCC1 ZINC000756435030 621638180 /nfs/dbraw/zinc/63/81/80/621638180.db2.gz SXCLZDLLVZQCQL-CHWSQXEVSA-N 1 0 312.404 3.443 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)c(O)c1C ZINC000756440029 621638694 /nfs/dbraw/zinc/63/86/94/621638694.db2.gz CBYVZPAHVWNHMR-HNNXBMFYSA-N 1 0 318.461 3.499 20 10 DGCDRO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(F)ccc1O ZINC000756480570 621640783 /nfs/dbraw/zinc/64/07/83/621640783.db2.gz RYUCTRATTYIORA-ZDUSSCGKSA-N 1 0 300.377 3.198 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCc2ccccc21)c1cc(F)ccc1O ZINC000756484425 621641232 /nfs/dbraw/zinc/64/12/32/621641232.db2.gz XIWKKFGACXCRHJ-CYBMUJFWSA-N 1 0 300.377 3.245 20 10 DGCDRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756495865 621642021 /nfs/dbraw/zinc/64/20/21/621642021.db2.gz SQQSVZFFSGZCMC-MISXGVKJSA-N 1 0 301.365 3.090 20 10 DGCDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756496430 621642208 /nfs/dbraw/zinc/64/22/08/621642208.db2.gz HKXQPQACAUMWPP-JQWIXIFHSA-N 1 0 316.239 3.212 20 10 DGCDRO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756532809 621645593 /nfs/dbraw/zinc/64/55/93/621645593.db2.gz GJQVKXUEKSIRQT-LBPRGKRZSA-N 1 0 312.404 3.443 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000756545696 621646341 /nfs/dbraw/zinc/64/63/41/621646341.db2.gz ODKXZXFIAFFLHA-BBRMVZONSA-N 1 0 300.446 3.158 20 10 DGCDRO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc2ccccc2c1O ZINC000756582869 621651084 /nfs/dbraw/zinc/65/10/84/621651084.db2.gz JUYVIBISBRNYOS-HOCLYGCPSA-N 1 0 315.413 3.392 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)c2c1c(F)ccc2O ZINC000756584854 621651235 /nfs/dbraw/zinc/65/12/35/621651235.db2.gz HDTJTWQPBFDWFW-NILFDRSVSA-N 1 0 301.361 3.403 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)c1 ZINC000756585976 621651290 /nfs/dbraw/zinc/65/12/90/621651290.db2.gz OJQHYSQHIVQALT-MEDUHNTESA-N 1 0 313.401 3.227 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756586273 621651357 /nfs/dbraw/zinc/65/13/57/621651357.db2.gz QDPRQKHYKWTPDS-XNRPHZJLSA-N 1 0 315.388 3.273 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c2c1c(F)ccc2O ZINC000756640103 621655151 /nfs/dbraw/zinc/65/51/51/621655151.db2.gz IRUPUQUBAOJXII-YXMPFFBPSA-N 1 0 304.409 3.294 20 10 DGCDRO C[C@H]([NH2+]CCNc1cnccn1)c1ccc2ccccc2c1O ZINC000756647382 621655895 /nfs/dbraw/zinc/65/58/95/621655895.db2.gz TZHYBGOYPUKKFN-ZDUSSCGKSA-N 1 0 308.385 3.098 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c(O)c1C ZINC000756662224 621657296 /nfs/dbraw/zinc/65/72/96/621657296.db2.gz YVWDJCGUIXDKAO-YJBOKZPZSA-N 1 0 324.424 3.465 20 10 DGCDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756671258 621657847 /nfs/dbraw/zinc/65/78/47/621657847.db2.gz FXZAPFUSBOUYFN-MNOVXSKESA-N 1 0 324.222 3.091 20 10 DGCDRO COCCC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000863270513 621657950 /nfs/dbraw/zinc/65/79/50/621657950.db2.gz KHZAIHXYSMDJFJ-UHFFFAOYSA-N 1 0 300.402 3.189 20 10 DGCDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000756731519 621661270 /nfs/dbraw/zinc/66/12/70/621661270.db2.gz BZGKGOXSVXDJOA-ZIAGYGMSSA-N 1 0 303.402 3.248 20 10 DGCDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756734024 621661383 /nfs/dbraw/zinc/66/13/83/621661383.db2.gz UPPBHURMPKVLJX-CMPLNLGQSA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c(O)c1 ZINC000756742133 621661726 /nfs/dbraw/zinc/66/17/26/621661726.db2.gz ZJMHBJHTSLYUFN-MEDUHNTESA-N 1 0 307.340 3.363 20 10 DGCDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756738788 621661822 /nfs/dbraw/zinc/66/18/22/621661822.db2.gz LFZQOLLFSOBVSF-CMPLNLGQSA-N 1 0 316.239 3.356 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCN2C(C)C)c1 ZINC000756763122 621662741 /nfs/dbraw/zinc/66/27/41/621662741.db2.gz YZRYWCLGIPQEHA-GJZGRUSLSA-N 1 0 306.450 3.314 20 10 DGCDRO Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)[nH]n1 ZINC000756764332 621662998 /nfs/dbraw/zinc/66/29/98/621662998.db2.gz GGSHYFICUVYOAF-ISTVAULSSA-N 1 0 303.381 3.332 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000756765481 621663260 /nfs/dbraw/zinc/66/32/60/621663260.db2.gz OSTFVSLNOACGPW-LSDHHAIUSA-N 1 0 305.418 3.079 20 10 DGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)C2 ZINC000756776241 621664001 /nfs/dbraw/zinc/66/40/01/621664001.db2.gz XISLTPULYXWZOF-ZFWWWQNUSA-N 1 0 313.397 3.364 20 10 DGCDRO C[N@H+](CCCOC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000756784266 621664254 /nfs/dbraw/zinc/66/42/54/621664254.db2.gz SKKXTPRZTVDIQB-UHFFFAOYSA-N 1 0 320.477 3.160 20 10 DGCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC000757000997 621678226 /nfs/dbraw/zinc/67/82/26/621678226.db2.gz CXYSAXPYEMOGFM-IBGZPJMESA-N 1 0 323.440 3.340 20 10 DGCDRO CC[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000863548072 621682933 /nfs/dbraw/zinc/68/29/33/621682933.db2.gz UPDQRQGZTVMQSY-LBPRGKRZSA-N 1 0 321.248 3.105 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000839637107 621706281 /nfs/dbraw/zinc/70/62/81/621706281.db2.gz VFVNIJGLKBZPPH-WOJBJXKFSA-N 1 0 310.441 3.451 20 10 DGCDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000119763511 621725673 /nfs/dbraw/zinc/72/56/73/621725673.db2.gz VOXPUOWRTSLEGX-UHFFFAOYSA-N 1 0 324.852 3.124 20 10 DGCDRO C[N@H+](CCC1CCOCC1)Cc1c(O)ccc2ccncc21 ZINC000757607725 621727825 /nfs/dbraw/zinc/72/78/25/621727825.db2.gz SLDTVOIUEQOMBV-UHFFFAOYSA-N 1 0 300.402 3.189 20 10 DGCDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000757656526 621731497 /nfs/dbraw/zinc/73/14/97/621731497.db2.gz JHQSVQBRSBWFIJ-QWRGUYRKSA-N 1 0 314.223 3.232 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)cc1F ZINC000864053624 621732733 /nfs/dbraw/zinc/73/27/33/621732733.db2.gz XPDMBGJWYGBZGY-ROUUACIJSA-N 1 0 324.415 3.468 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000757798976 621740419 /nfs/dbraw/zinc/74/04/19/621740419.db2.gz GLTZAKFPLVTACX-CRAIPNDOSA-N 1 0 305.418 3.215 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c1 ZINC000758497696 621785265 /nfs/dbraw/zinc/78/52/65/621785265.db2.gz GTHAZQMXUXIAEG-QGZVFWFLSA-N 1 0 307.434 3.476 20 10 DGCDRO COc1cncc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1C ZINC000865437128 621921076 /nfs/dbraw/zinc/92/10/76/621921076.db2.gz AQGMVMYGJGDCBZ-UHFFFAOYSA-N 1 0 311.429 3.071 20 10 DGCDRO CCOc1cc(F)cc(C[NH2+]Cc2cc(OC)ccc2O)c1 ZINC000865463817 621926999 /nfs/dbraw/zinc/92/69/99/621926999.db2.gz OBTWIDMNVSMMBC-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO COc1cc(F)cc(OC)c1C[NH2+]Cc1cc(C)ccc1O ZINC000865640700 621968931 /nfs/dbraw/zinc/96/89/31/621968931.db2.gz NMVNADHJKRQIRG-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO OC[C@H]([NH2+]Cc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000865653961 621972150 /nfs/dbraw/zinc/97/21/50/621972150.db2.gz JSFSSTUXPPFMJR-AWEZNQCLSA-N 1 0 311.303 3.234 20 10 DGCDRO COc1cc(C[NH2+]Cc2conc2C)c(O)c(C(C)(C)C)c1 ZINC000865678485 621976567 /nfs/dbraw/zinc/97/65/67/621976567.db2.gz KWUZOHSDBGNZJB-UHFFFAOYSA-N 1 0 304.390 3.285 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCC23CCOCC3)c1O ZINC000865778231 621993684 /nfs/dbraw/zinc/99/36/84/621993684.db2.gz HNIHNZXNAQNYMM-OAHLLOKOSA-N 1 0 305.418 3.087 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2ccncc2)c1O ZINC000761207828 621994136 /nfs/dbraw/zinc/99/41/36/621994136.db2.gz TWDRDRXOTMLUBX-LLVKDONJSA-N 1 0 306.793 3.170 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1O ZINC000761213501 621994874 /nfs/dbraw/zinc/99/48/74/621994874.db2.gz AFHDHQLWCWLJOC-LLVKDONJSA-N 1 0 321.751 3.258 20 10 DGCDRO COc1ccsc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221547 621995337 /nfs/dbraw/zinc/99/53/37/621995337.db2.gz PMMHMLDBXCZIDO-UHFFFAOYSA-N 1 0 320.458 3.334 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccccc1O ZINC000866422214 622115207 /nfs/dbraw/zinc/11/52/07/622115207.db2.gz LKAMVYGYDGVVBX-CQSZACIVSA-N 1 0 313.397 3.463 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)c(O)c1 ZINC000866426806 622116217 /nfs/dbraw/zinc/11/62/17/622116217.db2.gz DWUCGZAOONZHGV-DZGCQCFKSA-N 1 0 307.434 3.449 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Br)cc1O ZINC000866442873 622119063 /nfs/dbraw/zinc/11/90/63/622119063.db2.gz DQTCZHNDINHJKY-DNJQJEMRSA-N 1 0 314.223 3.371 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866463919 622122304 /nfs/dbraw/zinc/12/23/04/622122304.db2.gz QGKVOQONCOGANG-VIRWGQHYSA-N 1 0 311.731 3.398 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000866477720 622124303 /nfs/dbraw/zinc/12/43/03/622124303.db2.gz BCOQLHZSNDGDJI-CYBMUJFWSA-N 1 0 313.397 3.324 20 10 DGCDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000866487169 622126160 /nfs/dbraw/zinc/12/61/60/622126160.db2.gz VJUDPRKYKDWUCX-BPLDGKMQSA-N 1 0 324.465 3.207 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000866539261 622134923 /nfs/dbraw/zinc/13/49/23/622134923.db2.gz AKMOUUPSYQQDEL-GFCCVEGCSA-N 1 0 316.357 3.468 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1ccnn1C ZINC000866612648 622147257 /nfs/dbraw/zinc/14/72/57/622147257.db2.gz AVLDQCVCPIHVNM-NXEZZACHSA-N 1 0 324.222 3.300 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1O ZINC000763480555 622147696 /nfs/dbraw/zinc/14/76/96/622147696.db2.gz NYEGESAOXIUJLU-CYBMUJFWSA-N 1 0 319.788 3.017 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)cc1 ZINC000765266040 622255679 /nfs/dbraw/zinc/25/56/79/622255679.db2.gz LVNDODDINLHUTC-KRWDZBQOSA-N 1 0 312.413 3.072 20 10 DGCDRO Cc1occc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765396848 622262969 /nfs/dbraw/zinc/26/29/69/622262969.db2.gz NIDIEZBXSQHCKH-AWEZNQCLSA-N 1 0 300.402 3.275 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000122250339 622272842 /nfs/dbraw/zinc/27/28/42/622272842.db2.gz WMVJECOQBFKJLI-GOSISDBHSA-N 1 0 311.429 3.092 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCN1CC(F)F ZINC000765718113 622283808 /nfs/dbraw/zinc/28/38/08/622283808.db2.gz WWNITSRGXWPHJG-INIZCTEOSA-N 1 0 324.415 3.042 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCN1CC(F)F ZINC000765721057 622283974 /nfs/dbraw/zinc/28/39/74/622283974.db2.gz OCXLOMRXMUCUOD-OAHLLOKOSA-N 1 0 312.404 3.170 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765769482 622285804 /nfs/dbraw/zinc/28/58/04/622285804.db2.gz KUJGFBGWBMYCOX-FUHWJXTLSA-N 1 0 301.478 3.422 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765769480 622285993 /nfs/dbraw/zinc/28/59/93/622285993.db2.gz KUJGFBGWBMYCOX-AEFFLSMTSA-N 1 0 301.478 3.422 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)cc1 ZINC000766093416 622305745 /nfs/dbraw/zinc/30/57/45/622305745.db2.gz GCWPXUVIVWQWBE-INIZCTEOSA-N 1 0 324.468 3.323 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(O)cc1C ZINC000766115383 622307121 /nfs/dbraw/zinc/30/71/21/622307121.db2.gz FMBLIXRWLFZPOM-NSHDSACASA-N 1 0 303.324 3.484 20 10 DGCDRO COC(=O)c1cc(C[N@H+](C)Cc2cc(Cl)ccc2O)oc1C ZINC000122424953 622318344 /nfs/dbraw/zinc/31/83/44/622318344.db2.gz PHDOEIHFDJGWNE-UHFFFAOYSA-N 1 0 323.776 3.366 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000766587212 622340833 /nfs/dbraw/zinc/34/08/33/622340833.db2.gz XMKDKEHRJQJBNA-CCKFTAQKSA-N 1 0 301.478 3.276 20 10 DGCDRO CCOc1ccc(C[NH2+]CCN2CCCC(C)(C)C2)c(O)c1 ZINC000767738792 622419351 /nfs/dbraw/zinc/41/93/51/622419351.db2.gz NQZMOVGDAYMFBM-UHFFFAOYSA-N 1 0 306.450 3.003 20 10 DGCDRO FC1(F)CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000767927805 622428871 /nfs/dbraw/zinc/42/88/71/622428871.db2.gz CTWIXOUKDIWECN-OAHLLOKOSA-N 1 0 310.388 3.191 20 10 DGCDRO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)nn1C ZINC000768158243 622442405 /nfs/dbraw/zinc/44/24/05/622442405.db2.gz QLCDHBLGHASYLM-UHFFFAOYSA-N 1 0 300.450 3.205 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000768184963 622443923 /nfs/dbraw/zinc/44/39/23/622443923.db2.gz KHGRCSSUANEPRF-GOSISDBHSA-N 1 0 317.477 3.153 20 10 DGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cccc1OC ZINC000768198520 622445122 /nfs/dbraw/zinc/44/51/22/622445122.db2.gz VCGIABQQMBCFJW-UHFFFAOYSA-N 1 0 315.369 3.152 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)CCOc1ccc(F)cc1 ZINC000768211654 622445628 /nfs/dbraw/zinc/44/56/28/622445628.db2.gz ATLIBSRGMNHVGX-UHFFFAOYSA-N 1 0 305.349 3.051 20 10 DGCDRO C[N@H+](CC(=O)N1CCCC1)Cc1cc(-c2ccccc2)ccc1O ZINC000768214458 622445896 /nfs/dbraw/zinc/44/58/96/622445896.db2.gz ABVZTVKCOAJNIR-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO CCOc1ccc(CN2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC000768239720 622447145 /nfs/dbraw/zinc/44/71/45/622447145.db2.gz KQQSYBVJCXFJMS-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCCCC1)[C@H](O)CO2 ZINC000768442516 622455908 /nfs/dbraw/zinc/45/59/08/622455908.db2.gz KWXKAVIJKKJURL-SJLPKXTDSA-N 1 0 317.429 3.363 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768441436 622456055 /nfs/dbraw/zinc/45/60/55/622456055.db2.gz LNUKAKRRNSFNSB-WMZOPIPTSA-N 1 0 311.381 3.155 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]3COCC[C@H]31)CCCC2 ZINC000768462616 622458013 /nfs/dbraw/zinc/45/80/13/622458013.db2.gz ANSFZJFHZJOIAK-SJLPKXTDSA-N 1 0 301.430 3.272 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCOC3(CCCC3)C1)CCCC2 ZINC000768463622 622458246 /nfs/dbraw/zinc/45/82/46/622458246.db2.gz VDBCWNLWFSDUPZ-UHFFFAOYSA-N 1 0 301.430 3.416 20 10 DGCDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768463623 622458342 /nfs/dbraw/zinc/45/83/42/622458342.db2.gz KNAQKBBHTFTBLD-WMLDXEAASA-N 1 0 305.418 3.219 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccco2)cc1 ZINC000768841650 622480172 /nfs/dbraw/zinc/48/01/72/622480172.db2.gz MHYXOCNXVITZTC-JKSUJKDBSA-N 1 0 316.445 3.238 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000769000343 622491315 /nfs/dbraw/zinc/49/13/15/622491315.db2.gz TWDLKHFMVHVNPN-UHFFFAOYSA-N 1 0 312.413 3.113 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769103790 622498505 /nfs/dbraw/zinc/49/85/05/622498505.db2.gz SYWKBABLUTZWBP-CQSZACIVSA-N 1 0 303.406 3.427 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(C)(C)C(=O)OC)cc1F ZINC000769305124 622515580 /nfs/dbraw/zinc/51/55/80/622515580.db2.gz IKUFIDHMMLYPOC-UHFFFAOYSA-N 1 0 310.413 3.055 20 10 DGCDRO CC[N@H+](Cc1cc(C)ccc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000769404230 622525114 /nfs/dbraw/zinc/52/51/14/622525114.db2.gz PUVMPZYIWNJMTQ-GOSISDBHSA-N 1 0 324.424 3.328 20 10 DGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769447607 622528406 /nfs/dbraw/zinc/52/84/06/622528406.db2.gz HYJWUQNHMLUSJU-GDBMZVCRSA-N 1 0 306.425 3.283 20 10 DGCDRO C[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1ccccc1O ZINC000870988769 622531398 /nfs/dbraw/zinc/53/13/98/622531398.db2.gz ZBHDDGBZSPKKQN-SUMWQHHRSA-N 1 0 312.413 3.296 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1O ZINC000769485198 622532970 /nfs/dbraw/zinc/53/29/70/622532970.db2.gz LUFRJDUVELMBIS-GOSISDBHSA-N 1 0 305.418 3.184 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1F ZINC000769485724 622533012 /nfs/dbraw/zinc/53/30/12/622533012.db2.gz OIMUSOMICOOTET-GOSISDBHSA-N 1 0 306.425 3.284 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769503845 622535145 /nfs/dbraw/zinc/53/51/45/622535145.db2.gz OTHNUVPGHVGNJZ-LLVKDONJSA-N 1 0 311.809 3.209 20 10 DGCDRO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000769514723 622536510 /nfs/dbraw/zinc/53/65/10/622536510.db2.gz LCRSLHOQURYWTD-GOSISDBHSA-N 1 0 324.424 3.160 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000770375003 622626612 /nfs/dbraw/zinc/62/66/12/622626612.db2.gz PPTGMSRIDAEECC-GOEBONIOSA-N 1 0 305.418 3.039 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000770374990 622626626 /nfs/dbraw/zinc/62/66/26/622626626.db2.gz PMYCBBQNBZIEDN-HOTGVXAUSA-N 1 0 306.425 3.140 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)ccc1OC ZINC000770738323 622665864 /nfs/dbraw/zinc/66/58/64/622665864.db2.gz HBJWYSYFFCXQCU-GOEBONIOSA-N 1 0 307.434 3.136 20 10 DGCDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000123837907 622720737 /nfs/dbraw/zinc/72/07/37/622720737.db2.gz NAWMRFNJJSVTBH-KBXCAEBGSA-N 1 0 308.441 3.484 20 10 DGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CCO1 ZINC000872024893 622757717 /nfs/dbraw/zinc/75/77/17/622757717.db2.gz FFZZEAJOIQUCON-INIZCTEOSA-N 1 0 320.502 3.287 20 10 DGCDRO Cn1c2ccc(F)cc2nc1-c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771514315 622770777 /nfs/dbraw/zinc/77/07/77/622770777.db2.gz RHVSZEIILJRKLH-UHFFFAOYSA-N 1 0 324.403 3.131 20 10 DGCDRO CC[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Cl)ccc1O ZINC000872112896 622814868 /nfs/dbraw/zinc/81/48/68/622814868.db2.gz LQJFAVNQJDQHGC-SMDDNHRTSA-N 1 0 311.809 3.430 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(C(F)(F)F)cc1O ZINC000872125953 622822042 /nfs/dbraw/zinc/82/20/42/622822042.db2.gz ICLWJCONBGQJSC-IRUJWGPZSA-N 1 0 303.324 3.223 20 10 DGCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000772160572 622859119 /nfs/dbraw/zinc/85/91/19/622859119.db2.gz OADMUDGNSUSUGP-HNNXBMFYSA-N 1 0 317.477 3.070 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)cc1 ZINC000772237954 622870962 /nfs/dbraw/zinc/87/09/62/622870962.db2.gz SDRYZYHBAGDAPL-HNNXBMFYSA-N 1 0 319.493 3.316 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCOC[C@H]3C)c2c1 ZINC000772819463 622945963 /nfs/dbraw/zinc/94/59/63/622945963.db2.gz CPBMVCICVVAMLZ-CYBMUJFWSA-N 1 0 301.386 3.165 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000872721928 622960373 /nfs/dbraw/zinc/96/03/73/622960373.db2.gz PMMLCVCSVLXDTH-ZIAGYGMSSA-N 1 0 300.427 3.125 20 10 DGCDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773024567 622969725 /nfs/dbraw/zinc/96/97/25/622969725.db2.gz IVAIAQLKDYIUIV-SJORKVTESA-N 1 0 320.477 3.379 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(O)cc1C ZINC000773256544 623005838 /nfs/dbraw/zinc/00/58/38/623005838.db2.gz CIZOXLAGUOJLKO-HOTGVXAUSA-N 1 0 319.445 3.348 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCSC)cc1Cn1cccn1 ZINC000873055290 623027282 /nfs/dbraw/zinc/02/72/82/623027282.db2.gz FSZJNSSJEDHQAP-CQSZACIVSA-N 1 0 319.474 3.171 20 10 DGCDRO COc1ccc(C[NH2+]CC(C)(C)SC)cc1Cn1cccn1 ZINC000873066432 623029752 /nfs/dbraw/zinc/02/97/52/623029752.db2.gz WHWBNSLWBRQFOL-UHFFFAOYSA-N 1 0 319.474 3.171 20 10 DGCDRO COc1ccc(C[NH2+]CCSC(C)C)cc1Cn1cccn1 ZINC000873127186 623042288 /nfs/dbraw/zinc/04/22/88/623042288.db2.gz ODOZKXSSYINYPU-UHFFFAOYSA-N 1 0 319.474 3.171 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1C ZINC000873131264 623044021 /nfs/dbraw/zinc/04/40/21/623044021.db2.gz QSIPGTGXSLEOBS-SJORKVTESA-N 1 0 316.445 3.027 20 10 DGCDRO COc1ccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1C ZINC000873157531 623056427 /nfs/dbraw/zinc/05/64/27/623056427.db2.gz AWFHGPHCUPGJKV-UHFFFAOYSA-N 1 0 313.323 3.009 20 10 DGCDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000873163918 623058448 /nfs/dbraw/zinc/05/84/48/623058448.db2.gz VUTQWRSMRALAEG-KRWDZBQOSA-N 1 0 316.445 3.110 20 10 DGCDRO CCN(C)c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000773731301 623064564 /nfs/dbraw/zinc/06/45/64/623064564.db2.gz TVMOXSPDFFTSEE-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](O)c1ccccc1 ZINC000873192398 623068380 /nfs/dbraw/zinc/06/83/80/623068380.db2.gz ATCQPWVAUFYZSH-RDJZCZTQSA-N 1 0 301.386 3.003 20 10 DGCDRO CCN(C)c1ccc(C[NH2+]CC(CC)(CC)C(=O)OC)cc1 ZINC000773785541 623073048 /nfs/dbraw/zinc/07/30/48/623073048.db2.gz FWOROJRKXHQCDF-UHFFFAOYSA-N 1 0 306.450 3.212 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000773805318 623073874 /nfs/dbraw/zinc/07/38/74/623073874.db2.gz SQSPCDAVOJCPNG-SFHVURJKSA-N 1 0 302.462 3.391 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc(F)cc(F)c1[O-] ZINC000873235891 623086925 /nfs/dbraw/zinc/08/69/25/623086925.db2.gz RVOABFKLECNQSU-NSHDSACASA-N 1 0 318.367 3.167 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1[O-] ZINC000873236615 623087075 /nfs/dbraw/zinc/08/70/75/623087075.db2.gz YLFCYTXKOXHZCD-LBPRGKRZSA-N 1 0 300.377 3.028 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000873271385 623100040 /nfs/dbraw/zinc/10/00/40/623100040.db2.gz HVPZSPLCWYOGNR-QWRGUYRKSA-N 1 0 316.367 3.450 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC000774471182 623149894 /nfs/dbraw/zinc/14/98/94/623149894.db2.gz KUPJGKCYAWMLMP-ROUUACIJSA-N 1 0 318.461 3.479 20 10 DGCDRO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774483319 623151076 /nfs/dbraw/zinc/15/10/76/623151076.db2.gz JQNTXZDHFDTHIE-LSDHHAIUSA-N 1 0 305.466 3.098 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000775011920 623215872 /nfs/dbraw/zinc/21/58/72/623215872.db2.gz MCPQVUXYIDKWPM-UHFFFAOYSA-N 1 0 321.465 3.065 20 10 DGCDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000775128388 623234122 /nfs/dbraw/zinc/23/41/22/623234122.db2.gz AQLKTRORXNZVNL-CVEARBPZSA-N 1 0 315.413 3.100 20 10 DGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000775178232 623238208 /nfs/dbraw/zinc/23/82/08/623238208.db2.gz SLCFGXQOODFFHU-MRXNPFEDSA-N 1 0 313.825 3.181 20 10 DGCDRO COc1cc2[nH]c(NCc3cc(C)ccc3O)[nH+]c2cc1OC ZINC000775190411 623240144 /nfs/dbraw/zinc/24/01/44/623240144.db2.gz ASAQKKQUUDRIHA-UHFFFAOYSA-N 1 0 313.357 3.206 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000775201332 623240902 /nfs/dbraw/zinc/24/09/02/623240902.db2.gz NUNKVJDCWFAKTJ-UHFFFAOYSA-N 1 0 312.816 3.149 20 10 DGCDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000775403426 623269812 /nfs/dbraw/zinc/26/98/12/623269812.db2.gz IPZSHAKUYVURNS-HZPDHXFCSA-N 1 0 317.477 3.194 20 10 DGCDRO CC[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+](CC)CC ZINC000775406613 623270339 /nfs/dbraw/zinc/27/03/39/623270339.db2.gz YUIHIYMDNOBKQU-RHSMWYFYSA-N 1 0 305.466 3.050 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccccc1O ZINC000775522170 623283957 /nfs/dbraw/zinc/28/39/57/623283957.db2.gz LDLBOTKTEMNQIL-GOEBONIOSA-N 1 0 305.418 3.161 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1OC)c1ccccc1O ZINC000775523093 623284185 /nfs/dbraw/zinc/28/41/85/623284185.db2.gz GFSWFPHYXZYEDK-CVEARBPZSA-N 1 0 301.386 3.175 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1cc(Cl)ccc1O ZINC000775527826 623284821 /nfs/dbraw/zinc/28/48/21/623284821.db2.gz UQUBYWKNHQHMOK-KRDDEPHXSA-N 1 0 303.855 3.243 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Cl)ccc1O ZINC000775531435 623286135 /nfs/dbraw/zinc/28/61/35/623286135.db2.gz CSZUUYAKDNMLII-AWEZNQCLSA-N 1 0 320.824 3.143 20 10 DGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775554670 623288832 /nfs/dbraw/zinc/28/88/32/623288832.db2.gz CZTXJNRISVEXHI-IIAWOOMASA-N 1 0 313.825 3.280 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775632882 623299756 /nfs/dbraw/zinc/29/97/56/623299756.db2.gz CTJZTOWBYYWIQB-GFCCVEGCSA-N 1 0 311.809 3.129 20 10 DGCDRO Cc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000775649367 623303964 /nfs/dbraw/zinc/30/39/64/623303964.db2.gz OUSWKSMBJGZZMH-HNNXBMFYSA-N 1 0 320.433 3.142 20 10 DGCDRO COc1ccc(O)c(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000775659602 623307653 /nfs/dbraw/zinc/30/76/53/623307653.db2.gz YVFUUVRNJGGDNQ-UXLLHSPISA-N 1 0 318.461 3.238 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCc3cc(OC)ccc3C2)c1 ZINC000775678180 623312430 /nfs/dbraw/zinc/31/24/30/623312430.db2.gz WOZMXXNZWAUGLI-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO COC(=O)C[N@H+](Cc1cc(Cl)cc(C)c1O)C1CCCC1 ZINC000775725776 623319170 /nfs/dbraw/zinc/31/91/70/623319170.db2.gz NSXPOEWVBXISSB-UHFFFAOYSA-N 1 0 311.809 3.272 20 10 DGCDRO Cc1cccc(C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)c1O ZINC000775724560 623319755 /nfs/dbraw/zinc/31/97/55/623319755.db2.gz LUUNEQLZYQCSNW-IBGZPJMESA-N 1 0 310.441 3.407 20 10 DGCDRO C[C@H]([NH2+]CC(=O)NC1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000775830120 623338308 /nfs/dbraw/zinc/33/83/08/623338308.db2.gz DAHRQWDANSLZJR-HNNXBMFYSA-N 1 0 317.477 3.242 20 10 DGCDRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834183 623339661 /nfs/dbraw/zinc/33/96/61/623339661.db2.gz LFXOAGOETXMLMT-DOTOQJQBSA-N 1 0 317.477 3.194 20 10 DGCDRO COC(=O)c1oc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775834639 623339711 /nfs/dbraw/zinc/33/97/11/623339711.db2.gz BMWRDGZAQYRPKI-ZDUSSCGKSA-N 1 0 316.401 3.291 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000775838395 623340491 /nfs/dbraw/zinc/34/04/91/623340491.db2.gz YEIXMIUVVOYVPY-KPZWWZAWSA-N 1 0 320.383 3.415 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000775969630 623358123 /nfs/dbraw/zinc/35/81/23/623358123.db2.gz YMONDFKVLIQLKS-KBPBESRZSA-N 1 0 320.433 3.222 20 10 DGCDRO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000775986216 623361061 /nfs/dbraw/zinc/36/10/61/623361061.db2.gz PYYNKKTYMBBSCS-DLBZAZTESA-N 1 0 301.478 3.201 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCOC(C)(C)C)CC2)cc1 ZINC000776891186 623474973 /nfs/dbraw/zinc/47/49/73/623474973.db2.gz WTGPDNXVRLRTGN-UHFFFAOYSA-N 1 0 306.450 3.069 20 10 DGCDRO COCC[N@H+](Cc1cc(OC)c(C)cc1O)[C@@H]1CC[C@H](C)C1 ZINC000790477712 625657987 /nfs/dbraw/zinc/65/79/87/625657987.db2.gz HOOLZWRWPUVPHM-XJKSGUPXSA-N 1 0 307.434 3.346 20 10 DGCDRO CC[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506903 623629999 /nfs/dbraw/zinc/62/99/99/623629999.db2.gz QHHOEUKIHYBZOQ-ZTFGCOKTSA-N 1 0 317.477 3.085 20 10 DGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](OC)C1CCOCC1 ZINC000876522090 623633057 /nfs/dbraw/zinc/63/30/57/623633057.db2.gz HGTGQPWZEPFRMJ-LJQANCHMSA-N 1 0 320.477 3.016 20 10 DGCDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876523975 623633209 /nfs/dbraw/zinc/63/32/09/623633209.db2.gz HQHQHFJIOQUPBR-KRWDZBQOSA-N 1 0 302.462 3.412 20 10 DGCDRO CO[C@@](C)(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000876531849 623635209 /nfs/dbraw/zinc/63/52/09/623635209.db2.gz RCAYMRIUNFIJIX-HKUYNNGSSA-N 1 0 319.445 3.188 20 10 DGCDRO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C)cc1O ZINC000876540333 623638020 /nfs/dbraw/zinc/63/80/20/623638020.db2.gz XQYNCBHRRODYIF-UHFFFAOYSA-N 1 0 312.413 3.334 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(O)c1 ZINC000876549302 623640578 /nfs/dbraw/zinc/64/05/78/623640578.db2.gz ALHNUOCCIDCUPP-UHFFFAOYSA-N 1 0 322.412 3.123 20 10 DGCDRO CNC(=O)c1ccc(C[N@H+](Cc2c(C)cccc2O)C2CC2)cc1 ZINC000876591192 623654244 /nfs/dbraw/zinc/65/42/44/623654244.db2.gz IZVUCTLWCCVPJN-UHFFFAOYSA-N 1 0 324.424 3.225 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876658286 623672501 /nfs/dbraw/zinc/67/25/01/623672501.db2.gz RRQAOKASFWLAEY-HOTGVXAUSA-N 1 0 318.461 3.217 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876745780 623695658 /nfs/dbraw/zinc/69/56/58/623695658.db2.gz LSORQTMHMVMLQT-HZPDHXFCSA-N 1 0 302.462 3.126 20 10 DGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000876773862 623702414 /nfs/dbraw/zinc/70/24/14/623702414.db2.gz XILKAYGBHVIZIU-NRFANRHFSA-N 1 0 303.427 3.070 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(O)c1 ZINC000876818802 623715905 /nfs/dbraw/zinc/71/59/05/623715905.db2.gz YEOPNWXYROTBNI-HNNXBMFYSA-N 1 0 312.417 3.076 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3cc(F)ccc3C)CC2)cc1 ZINC000778988974 623716684 /nfs/dbraw/zinc/71/66/84/623716684.db2.gz OSKNWDIHEQUUPI-UHFFFAOYSA-N 1 0 314.404 3.465 20 10 DGCDRO COC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779001425 623719588 /nfs/dbraw/zinc/71/95/88/623719588.db2.gz RQKQAEAJMKKXLA-ZJUUUORDSA-N 1 0 302.212 3.149 20 10 DGCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccccc2O)C(C)(C)C1 ZINC000779022676 623722177 /nfs/dbraw/zinc/72/21/77/623722177.db2.gz FRJBHYJDRZOHGG-UHFFFAOYSA-N 1 0 320.433 3.224 20 10 DGCDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000779105770 623730167 /nfs/dbraw/zinc/73/01/67/623730167.db2.gz FJWCSVNYZVPOAW-UONOGXRCSA-N 1 0 320.433 3.222 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000876903242 623739998 /nfs/dbraw/zinc/73/99/98/623739998.db2.gz UIQDQHFAAYLXAE-UHFFFAOYSA-N 1 0 319.788 3.415 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)sn1 ZINC000876942736 623750456 /nfs/dbraw/zinc/75/04/56/623750456.db2.gz CXKNQSLSLXRBIK-UHFFFAOYSA-N 1 0 319.499 3.295 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(Cl)nn2)cc1 ZINC000876944334 623751198 /nfs/dbraw/zinc/75/11/98/623751198.db2.gz LILVDGCPJFVWSK-UHFFFAOYSA-N 1 0 304.825 3.266 20 10 DGCDRO CC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCCC1 ZINC000876966240 623756270 /nfs/dbraw/zinc/75/62/70/623756270.db2.gz RZZGTNWPQSWZBK-UHFFFAOYSA-N 1 0 320.452 3.457 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(Cl)c2N)cc1F ZINC000876988926 623761512 /nfs/dbraw/zinc/76/15/12/623761512.db2.gz MSTQKDIGGXJTDB-UHFFFAOYSA-N 1 0 307.800 3.417 20 10 DGCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877068161 623782483 /nfs/dbraw/zinc/78/24/83/623782483.db2.gz MWZWDUSNWLPKJE-QAPCUYQASA-N 1 0 320.502 3.021 20 10 DGCDRO CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)c1ccc(N)cc1 ZINC000877076232 623785320 /nfs/dbraw/zinc/78/53/20/623785320.db2.gz OPZUOGBSHQAGPM-MRXNPFEDSA-N 1 0 303.450 3.310 20 10 DGCDRO CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(N)cc1 ZINC000877077465 623786071 /nfs/dbraw/zinc/78/60/71/623786071.db2.gz JGIASQDCJUFBFH-UHFFFAOYSA-N 1 0 309.413 3.141 20 10 DGCDRO CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N)cc1 ZINC000877077776 623786129 /nfs/dbraw/zinc/78/61/29/623786129.db2.gz UIZLUXRIYHDBNR-UHFFFAOYSA-N 1 0 323.440 3.144 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000877122418 623795851 /nfs/dbraw/zinc/79/58/51/623795851.db2.gz SUZVBWDGHSADEF-ZSEKCTLFSA-N 1 0 303.427 3.289 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000877122016 623796145 /nfs/dbraw/zinc/79/61/45/623796145.db2.gz FJKBABNMMXNUMW-ASSNKEHSSA-N 1 0 303.427 3.289 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(C)nc2N2CCCC2)c(O)c1 ZINC000877188795 623822685 /nfs/dbraw/zinc/82/26/85/623822685.db2.gz IYNAZZXEDASSPK-UHFFFAOYSA-N 1 0 311.429 3.294 20 10 DGCDRO CCCCC[N@H+](CCCOC)Cc1cc2c(cc1O)OCO2 ZINC000779884296 623825956 /nfs/dbraw/zinc/82/59/56/623825956.db2.gz KALOZBGCAHZTMO-UHFFFAOYSA-N 1 0 309.406 3.150 20 10 DGCDRO COc1c(C)cnc(C[N@H+](C)Cc2ccc(C)cc2O)c1C ZINC000877319609 623850818 /nfs/dbraw/zinc/85/08/18/623850818.db2.gz CSXFNFBSKCMSFD-UHFFFAOYSA-N 1 0 300.402 3.353 20 10 DGCDRO Cc1ccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c(O)c1 ZINC000877380714 623864268 /nfs/dbraw/zinc/86/42/68/623864268.db2.gz SAYNNURZZHRHPJ-AWEZNQCLSA-N 1 0 317.458 3.036 20 10 DGCDRO C[C@H]1CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877408686 623873098 /nfs/dbraw/zinc/87/30/98/623873098.db2.gz QGRKOLMQOMQOBG-INIZCTEOSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000877460263 623893313 /nfs/dbraw/zinc/89/33/13/623893313.db2.gz RZOICYULMLINGS-SWLSCSKDSA-N 1 0 317.351 3.274 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000877460261 623893414 /nfs/dbraw/zinc/89/34/14/623893414.db2.gz RZOICYULMLINGS-DOMZBBRYSA-N 1 0 317.351 3.274 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c(O)c1 ZINC000877494250 623911076 /nfs/dbraw/zinc/91/10/76/623911076.db2.gz VNUBFYZVMRBQOO-UHFFFAOYSA-N 1 0 316.357 3.216 20 10 DGCDRO COCCC[N@H+](Cc1ccncc1)Cc1ccc(C)cc1O ZINC000877525486 623924174 /nfs/dbraw/zinc/92/41/74/623924174.db2.gz FFKCMQYEXCJMRW-UHFFFAOYSA-N 1 0 300.402 3.134 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cnc(C)nc2C)c1 ZINC000877532041 623926960 /nfs/dbraw/zinc/92/69/60/623926960.db2.gz BYHHNRNRMUCTNS-GHMZBOCLSA-N 1 0 301.390 3.219 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3CC(C4CCCC4)C3)cc2)CC1 ZINC000877581398 623950121 /nfs/dbraw/zinc/95/01/21/623950121.db2.gz AWEPWIABTOGXLQ-UHFFFAOYSA-N 1 0 314.473 3.270 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c(O)c1 ZINC000877589769 623953460 /nfs/dbraw/zinc/95/34/60/623953460.db2.gz RDIIBTHFQUWWSO-FQEVSTJZSA-N 1 0 323.392 3.311 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)sn1 ZINC000877592265 623954295 /nfs/dbraw/zinc/95/42/95/623954295.db2.gz NCXAPHOQBDLEJT-CYBMUJFWSA-N 1 0 319.474 3.247 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000877592356 623954797 /nfs/dbraw/zinc/95/47/97/623954797.db2.gz GKJZIEUFARAXPB-OAHLLOKOSA-N 1 0 300.377 3.208 20 10 DGCDRO CC1(CC(F)F)C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877605930 623959770 /nfs/dbraw/zinc/95/97/70/623959770.db2.gz XTCGTKXRLJTLBY-UHFFFAOYSA-N 1 0 324.415 3.125 20 10 DGCDRO Oc1ccccc1C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000780781256 623982752 /nfs/dbraw/zinc/98/27/52/623982752.db2.gz IWVZTFDVQZWLBV-UHFFFAOYSA-N 1 0 323.392 3.453 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2c(C)nn(CC)c2C)c(O)c1 ZINC000877663513 623983010 /nfs/dbraw/zinc/98/30/10/623983010.db2.gz CRYSDZGZVASKHM-UHFFFAOYSA-N 1 0 317.433 3.256 20 10 DGCDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000780791970 623985709 /nfs/dbraw/zinc/98/57/09/623985709.db2.gz DMDWHDPCIYZJJD-KOLCDFICSA-N 1 0 317.307 3.284 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000877672489 623986799 /nfs/dbraw/zinc/98/67/99/623986799.db2.gz FYXOIHWSJXVBEO-WMZOPIPTSA-N 1 0 313.397 3.099 20 10 DGCDRO Oc1ccc(F)cc1C[N@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877672646 623987153 /nfs/dbraw/zinc/98/71/53/623987153.db2.gz JOWUOEWHJZDJLD-IRXDYDNUSA-N 1 0 301.361 3.229 20 10 DGCDRO FCCC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000877673261 623987440 /nfs/dbraw/zinc/98/74/40/623987440.db2.gz FBYORWLPGSJISK-UHFFFAOYSA-N 1 0 324.415 3.234 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877674909 623987752 /nfs/dbraw/zinc/98/77/52/623987752.db2.gz WSABHBQKQNHTOD-WOJBJXKFSA-N 1 0 310.441 3.451 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CC[N@H+](C)C(C)(C)CC2)cc1 ZINC000877701153 623996737 /nfs/dbraw/zinc/99/67/37/623996737.db2.gz MGGWCCYVSRYLDL-SREVYHEPSA-N 1 0 301.478 3.182 20 10 DGCDRO CC(C)COC(=O)N1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000877756244 624022872 /nfs/dbraw/zinc/02/28/72/624022872.db2.gz AMDOMSIHQGFCFO-CQSZACIVSA-N 1 0 320.433 3.300 20 10 DGCDRO COc1ccccc1[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877756436 624023353 /nfs/dbraw/zinc/02/33/53/624023353.db2.gz VVKANYVLWZFEHI-LJQANCHMSA-N 1 0 313.397 3.283 20 10 DGCDRO C[C@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)c1ccccc1O ZINC000877758390 624023753 /nfs/dbraw/zinc/02/37/53/624023753.db2.gz XNMUKNUXYOQBIZ-NSHDSACASA-N 1 0 314.414 3.100 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1O ZINC000877758027 624024080 /nfs/dbraw/zinc/02/40/80/624024080.db2.gz DPIPZUCPRRTANS-YOEHRIQHSA-N 1 0 313.397 3.411 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)c2ccnn2C)c1O ZINC000877762686 624025726 /nfs/dbraw/zinc/02/57/26/624025726.db2.gz IRQNRZVGVTUDCT-SNVBAGLBSA-N 1 0 324.222 3.047 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)c1O ZINC000877821160 624051117 /nfs/dbraw/zinc/05/11/17/624051117.db2.gz LFEQKDKXLYDYQF-CYBMUJFWSA-N 1 0 303.324 3.108 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c(O)c1 ZINC000877820322 624051139 /nfs/dbraw/zinc/05/11/39/624051139.db2.gz HDYSWXFOJDGFGE-RISCZKNCSA-N 1 0 303.324 3.242 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000877820070 624051301 /nfs/dbraw/zinc/05/13/01/624051301.db2.gz GDZWTSBHARCXTN-RISCZKNCSA-N 1 0 303.324 3.242 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000877825415 624058330 /nfs/dbraw/zinc/05/83/30/624058330.db2.gz ZYEVIMBVCSHARO-AAEUAGOBSA-N 1 0 303.324 3.242 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000877825392 624058369 /nfs/dbraw/zinc/05/83/69/624058369.db2.gz ZLCYKFPBEHERSJ-SMDDNHRTSA-N 1 0 303.324 3.242 20 10 DGCDRO COc1cc(O)c(CNc2ccc3c([nH+]2)CCCC3)cc1OC ZINC000877828692 624059221 /nfs/dbraw/zinc/05/92/21/624059221.db2.gz OOZMEJTVTUJJRE-UHFFFAOYSA-N 1 0 314.385 3.295 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[N@@H+](C)Cc2cccn2C)c1 ZINC000781913243 624170759 /nfs/dbraw/zinc/17/07/59/624170759.db2.gz RFORGQYLHOQHTL-UHFFFAOYSA-N 1 0 323.234 3.434 20 10 DGCDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000783220458 624325441 /nfs/dbraw/zinc/32/54/41/624325441.db2.gz DZRQDYINIIXOTA-ZOMKSWQUSA-N 1 0 306.425 3.327 20 10 DGCDRO C[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000783519760 624361119 /nfs/dbraw/zinc/36/11/19/624361119.db2.gz SVCFOHYAPRXAAY-CQSZACIVSA-N 1 0 313.397 3.447 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c(O)c1 ZINC000783597389 624373302 /nfs/dbraw/zinc/37/33/02/624373302.db2.gz MOXKDEHUHGHHKC-MRXNPFEDSA-N 1 0 312.413 3.251 20 10 DGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000783963965 624414362 /nfs/dbraw/zinc/41/43/62/624414362.db2.gz KEPRRISIELKQSC-LJQANCHMSA-N 1 0 312.413 3.331 20 10 DGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000783963964 624414471 /nfs/dbraw/zinc/41/44/71/624414471.db2.gz KEPRRISIELKQSC-IBGZPJMESA-N 1 0 312.413 3.331 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](CCOC)Cc2ccco2)c(O)c1 ZINC000784626295 624561938 /nfs/dbraw/zinc/56/19/38/624561938.db2.gz YNYSRIBOJVSOOP-OAHLLOKOSA-N 1 0 319.401 3.121 20 10 DGCDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879647706 624621491 /nfs/dbraw/zinc/62/14/91/624621491.db2.gz ITBYCNKAXDQJPK-RBSFLKMASA-N 1 0 304.434 3.222 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1O ZINC000879647893 624621547 /nfs/dbraw/zinc/62/15/47/624621547.db2.gz PITCEMCBUKOSQC-NYTXWWLZSA-N 1 0 304.434 3.126 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N1c2ccccc2C[C@H]1C ZINC000879648719 624621568 /nfs/dbraw/zinc/62/15/68/624621568.db2.gz ASEAHWLHCRWWMA-RBSFLKMASA-N 1 0 324.424 3.409 20 10 DGCDRO C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1ccccc1O ZINC000879648783 624623090 /nfs/dbraw/zinc/62/30/90/624623090.db2.gz DQLWMFPMGKQPOV-CYBMUJFWSA-N 1 0 315.369 3.241 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N1CCCc2ccccc21 ZINC000879649720 624623171 /nfs/dbraw/zinc/62/31/71/624623171.db2.gz SWXCBDMROIEUPZ-HUUCEWRRSA-N 1 0 324.424 3.411 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1O ZINC000879653756 624626819 /nfs/dbraw/zinc/62/68/19/624626819.db2.gz WFZCLIXRWVWLAS-KBPBESRZSA-N 1 0 310.397 3.021 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC1(C)C ZINC000785433121 624666078 /nfs/dbraw/zinc/66/60/78/624666078.db2.gz DFSLZJWHSJVWRZ-CZUORRHYSA-N 1 0 320.452 3.311 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)cc1F ZINC000786815206 624956244 /nfs/dbraw/zinc/95/62/44/624956244.db2.gz BKVPUMGOOTZGOK-MRXNPFEDSA-N 1 0 314.404 3.375 20 10 DGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)[C@@H]1C ZINC000787244147 624991567 /nfs/dbraw/zinc/99/15/67/624991567.db2.gz MNSXTHHSNBPRRV-UKRRQHHQSA-N 1 0 319.445 3.382 20 10 DGCDRO COCC[N@H+](Cc1scnc1C)Cc1cc(C)ccc1O ZINC000787308996 624999562 /nfs/dbraw/zinc/99/95/62/624999562.db2.gz HANBTOPCSHBTBQ-UHFFFAOYSA-N 1 0 306.431 3.114 20 10 DGCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C ZINC000787421492 625008490 /nfs/dbraw/zinc/00/84/90/625008490.db2.gz SGNGOPDWTUHEML-QAPCUYQASA-N 1 0 316.445 3.060 20 10 DGCDRO CCn1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1=O ZINC000788605649 625225518 /nfs/dbraw/zinc/22/55/18/625225518.db2.gz BBEUQAHKRWOLMV-SMDDNHRTSA-N 1 0 316.376 3.051 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c(O)c1 ZINC000788737019 625255259 /nfs/dbraw/zinc/25/52/59/625255259.db2.gz GYTGGXIJSYUSKM-CQSZACIVSA-N 1 0 324.424 3.146 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)C2CCCCC2)cc1F ZINC000790999491 625734690 /nfs/dbraw/zinc/73/46/90/625734690.db2.gz YHZVGFQNAZAMFP-SFHVURJKSA-N 1 0 308.441 3.313 20 10 DGCDRO C[NH+](C)CCc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000883060015 625913740 /nfs/dbraw/zinc/91/37/40/625913740.db2.gz TZHBGQFDFJDJHB-UHFFFAOYSA-N 1 0 306.356 3.387 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(OCC)cc2O)CCCC1 ZINC000792194358 625923894 /nfs/dbraw/zinc/92/38/94/625923894.db2.gz BRSOCPOOJHIQTQ-UHFFFAOYSA-N 1 0 321.417 3.004 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cc1C ZINC000796526643 626058730 /nfs/dbraw/zinc/05/87/30/626058730.db2.gz OYBPNWYAHTTXSK-JOCHJYFZSA-N 1 0 317.454 3.177 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000799148610 626275568 /nfs/dbraw/zinc/27/55/68/626275568.db2.gz DFUAEMFNIQIZJN-INIZCTEOSA-N 1 0 315.417 3.170 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000799716464 626324079 /nfs/dbraw/zinc/32/40/79/626324079.db2.gz RXVSXYVKOPYWOT-OAHLLOKOSA-N 1 0 305.425 3.491 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000800527857 626366420 /nfs/dbraw/zinc/36/64/20/626366420.db2.gz DNLPYFAJIGFERD-UHFFFAOYSA-N 1 0 308.425 3.419 20 10 DGCDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808699077 626372212 /nfs/dbraw/zinc/37/22/12/626372212.db2.gz RUPPEZVXRMFNNO-PWSUYJOCSA-N 1 0 303.855 3.119 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000800854746 626379644 /nfs/dbraw/zinc/37/96/44/626379644.db2.gz AQTANBNHVJIYLL-UHFFFAOYSA-N 1 0 324.355 3.474 20 10 DGCDRO CCCC[N@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccccc1O ZINC000801598378 626411819 /nfs/dbraw/zinc/41/18/19/626411819.db2.gz YMGAEVVRTFLLSC-INIZCTEOSA-N 1 0 318.461 3.395 20 10 DGCDRO COc1ccc2c(c1)OCCN(Cc1cc(Cl)ccc1O)C2 ZINC000802658959 626565970 /nfs/dbraw/zinc/56/59/70/626565970.db2.gz BBFHFDMRCVHTIH-UHFFFAOYSA-N 1 0 319.788 3.449 20 10 DGCDRO COc1cc(C[NH2+]CCc2ccns2)c(O)c(C(C)(C)C)c1 ZINC000883239320 626619847 /nfs/dbraw/zinc/61/98/47/626619847.db2.gz CSEZOOSFEGSDJG-UHFFFAOYSA-N 1 0 320.458 3.487 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000883263374 626628443 /nfs/dbraw/zinc/62/84/43/626628443.db2.gz QYUOVTOINKLNMH-CVEARBPZSA-N 1 0 319.445 3.327 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cc(F)ccc1O ZINC000883263076 626628755 /nfs/dbraw/zinc/62/87/55/626628755.db2.gz GEFWILZLKFFQBX-ZFWWWQNUSA-N 1 0 323.408 3.158 20 10 DGCDRO Oc1cccc(Cl)c1C[NH+]1CCN(c2cccs2)CC1 ZINC000131362045 626631047 /nfs/dbraw/zinc/63/10/47/626631047.db2.gz HUKGBUSMCMHADG-UHFFFAOYSA-N 1 0 308.834 3.429 20 10 DGCDRO CC[C@@H](CSC)[NH2+]Cc1cc(Br)ccc1O ZINC000132050353 626696168 /nfs/dbraw/zinc/69/61/68/626696168.db2.gz TWMALTVAKJCGRW-NSHDSACASA-N 1 0 304.253 3.386 20 10 DGCDRO CSCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132595713 626728534 /nfs/dbraw/zinc/72/85/34/626728534.db2.gz XGOVOPCCCAORNP-ZDUSSCGKSA-N 1 0 312.454 3.066 20 10 DGCDRO C[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000807274343 626752920 /nfs/dbraw/zinc/75/29/20/626752920.db2.gz OIUZLYVYKQEVPK-QAPCUYQASA-N 1 0 317.477 3.194 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c(O)c1 ZINC000808444553 626825675 /nfs/dbraw/zinc/82/56/75/626825675.db2.gz IJUDLJLZXOKHTA-UGSOOPFHSA-N 1 0 301.386 3.003 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCc2cnn(C)c2)c1O ZINC000808689790 626849456 /nfs/dbraw/zinc/84/94/56/626849456.db2.gz GGRBWTLAXMYLAZ-GFCCVEGCSA-N 1 0 307.825 3.371 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)[C@@H]1CCCO1 ZINC000808715493 626852972 /nfs/dbraw/zinc/85/29/72/626852972.db2.gz GWRHXEQGHZJMGA-CQDKDKBSSA-N 1 0 313.825 3.199 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c(O)c1 ZINC000808729423 626854895 /nfs/dbraw/zinc/85/48/95/626854895.db2.gz JOCFFKFSUHESMU-DOMZBBRYSA-N 1 0 301.361 3.494 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000808793068 626861517 /nfs/dbraw/zinc/86/15/17/626861517.db2.gz WWZFELBAAQDNNL-UHFFFAOYSA-N 1 0 310.397 3.126 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccncn3)CC1)CCCC2 ZINC000840170567 626904112 /nfs/dbraw/zinc/90/41/12/626904112.db2.gz QCZQXISRZQRCTQ-UHFFFAOYSA-N 1 0 323.440 3.441 20 10 DGCDRO Cc1cc(Cl)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000809704163 626939217 /nfs/dbraw/zinc/93/92/17/626939217.db2.gz WEXZOJCVBYYUMK-CJNGLKHVSA-N 1 0 308.853 3.413 20 10 DGCDRO CC(C)OC[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000809713667 626940216 /nfs/dbraw/zinc/94/02/16/626940216.db2.gz WZQLWUKBXDERQN-JTQLQIEISA-N 1 0 302.212 3.058 20 10 DGCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000809726202 626941965 /nfs/dbraw/zinc/94/19/65/626941965.db2.gz LERQYQPDGMBJJF-MRXNPFEDSA-N 1 0 320.433 3.191 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc3ccccc3nc2OC)c1O ZINC000809740395 626944589 /nfs/dbraw/zinc/94/45/89/626944589.db2.gz XPEQNTXGLVULCG-UHFFFAOYSA-N 1 0 324.380 3.247 20 10 DGCDRO CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809749147 626946291 /nfs/dbraw/zinc/94/62/91/626946291.db2.gz CBMUMHBUYQNEGY-UHFFFAOYSA-N 1 0 314.832 3.493 20 10 DGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(OC)ccc1O ZINC000809754768 626947312 /nfs/dbraw/zinc/94/73/12/626947312.db2.gz AOIWREMUUVUDJN-UHFFFAOYSA-N 1 0 317.433 3.072 20 10 DGCDRO CC[C@H]([NH2+]CC1(C)COC1)c1ccc(C(F)(F)F)cc1O ZINC000810217964 626988806 /nfs/dbraw/zinc/98/88/06/626988806.db2.gz NDOSDLDBVHDLQK-LBPRGKRZSA-N 1 0 303.324 3.488 20 10 DGCDRO CC[C@@H]([NH2+]Cc1nccn1C)c1ccc(C(F)(F)F)cc1O ZINC000810216353 626988973 /nfs/dbraw/zinc/98/89/73/626988973.db2.gz TXKVGNFURCDKKB-GFCCVEGCSA-N 1 0 313.323 3.385 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810215633 626989033 /nfs/dbraw/zinc/98/90/33/626989033.db2.gz ISIHBVNEWHNGDW-YPMHNXCESA-N 1 0 302.340 3.156 20 10 DGCDRO CC[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(C(F)(F)F)cc1O ZINC000810247282 626992292 /nfs/dbraw/zinc/99/22/92/626992292.db2.gz JDVLKWKYDILPAN-CYBMUJFWSA-N 1 0 313.323 3.418 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Cl)ccc1O ZINC000810254765 626992979 /nfs/dbraw/zinc/99/29/79/626992979.db2.gz RATAAMQJJXUWJW-DGCLKSJQSA-N 1 0 305.809 3.367 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cc2c(cc1O)CCCC2 ZINC000810259548 626994206 /nfs/dbraw/zinc/99/42/06/626994206.db2.gz LQMZWJJQCOVZFU-UGSOOPFHSA-N 1 0 303.446 3.473 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H](OC)CC3)C2)cc1 ZINC000886158009 627115067 /nfs/dbraw/zinc/11/50/67/627115067.db2.gz PMRKMWHYEVBRSH-SOLBZPMBSA-N 1 0 318.461 3.211 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CC3(CCC3)CO2)ccc1OC ZINC000886289240 627132293 /nfs/dbraw/zinc/13/22/93/627132293.db2.gz QUDQRLNTFHKIMM-QGZVFWFLSA-N 1 0 319.445 3.281 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1c([O-])cccc1F ZINC000886639839 627178613 /nfs/dbraw/zinc/17/86/13/627178613.db2.gz MRBKWGMSHOAFDY-DZGCQCFKSA-N 1 0 306.425 3.304 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1c([O-])cccc1F ZINC000886643282 627178944 /nfs/dbraw/zinc/17/89/44/627178944.db2.gz QBSVWYRPXGFAMX-ABAIWWIYSA-N 1 0 314.360 3.009 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000886669604 627185298 /nfs/dbraw/zinc/18/52/98/627185298.db2.gz BBOOXUVWNSAPSZ-NFAWXSAZSA-N 1 0 313.825 3.016 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1F)c1ccccc1O ZINC000886675225 627186941 /nfs/dbraw/zinc/18/69/41/627186941.db2.gz YQQSOXBYNWJBCO-WMLDXEAASA-N 1 0 303.377 3.176 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1F)c1ccccc1O ZINC000886675226 627186965 /nfs/dbraw/zinc/18/69/65/627186965.db2.gz YQQSOXBYNWJBCO-YOEHRIQHSA-N 1 0 303.377 3.176 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1F)c1ccccc1O ZINC000886675223 627187079 /nfs/dbraw/zinc/18/70/79/627187079.db2.gz YQQSOXBYNWJBCO-PBHICJAKSA-N 1 0 303.377 3.176 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c(O)c1 ZINC000886766789 627202201 /nfs/dbraw/zinc/20/22/01/627202201.db2.gz RLZFJKKTACCNTR-PASDCYSWSA-N 1 0 319.445 3.386 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000811510345 627285535 /nfs/dbraw/zinc/28/55/35/627285535.db2.gz CWLZGXJRXRSPDZ-DLBZAZTESA-N 1 0 305.418 3.180 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC000811518813 627287318 /nfs/dbraw/zinc/28/73/18/627287318.db2.gz PEXSFYIWAVMKQO-ROUUACIJSA-N 1 0 317.429 3.324 20 10 DGCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccncc32)[C@H]1[C@@H]1CCCO1 ZINC000811776216 627319697 /nfs/dbraw/zinc/31/96/97/627319697.db2.gz LHYWBKQGNGBFRA-ROUUACIJSA-N 1 0 312.413 3.330 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000811803030 627322613 /nfs/dbraw/zinc/32/26/13/627322613.db2.gz GRJQAYUEYBBFSC-HNNXBMFYSA-N 1 0 305.809 3.306 20 10 DGCDRO COc1ccc2c(NCCc3ccc(O)c(O)c3)cc[nH+]c2c1 ZINC000811811535 627324279 /nfs/dbraw/zinc/32/42/79/627324279.db2.gz XCUGFGBRTLXYSD-UHFFFAOYSA-N 1 0 310.353 3.309 20 10 DGCDRO CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@H](C)OC ZINC000812303312 627369243 /nfs/dbraw/zinc/36/92/43/627369243.db2.gz OKPCTQYYKOTSTF-ZDUSSCGKSA-N 1 0 303.402 3.411 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)c(C(F)(F)F)c1 ZINC000812778387 627419126 /nfs/dbraw/zinc/41/91/26/627419126.db2.gz KAKMSFLUQZGMNO-AWEZNQCLSA-N 1 0 316.367 3.117 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000813330717 627478728 /nfs/dbraw/zinc/47/87/28/627478728.db2.gz FAPLIPBXFCTKAG-NSHDSACASA-N 1 0 303.406 3.272 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1C ZINC000813856165 627516154 /nfs/dbraw/zinc/51/61/54/627516154.db2.gz XYCJGIJFIOIYPC-SPYBWZPUSA-N 1 0 302.462 3.029 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@H]1C ZINC000813856167 627516190 /nfs/dbraw/zinc/51/61/90/627516190.db2.gz XYCJGIJFIOIYPC-ZRGWGRIASA-N 1 0 302.462 3.029 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1 ZINC000814169056 627545675 /nfs/dbraw/zinc/54/56/75/627545675.db2.gz CPKGLQVLMBFVFR-QGZVFWFLSA-N 1 0 307.434 3.068 20 10 DGCDRO COCC(C)(C)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000814173842 627546691 /nfs/dbraw/zinc/54/66/91/627546691.db2.gz YPVFQFJJPZKYFK-UHFFFAOYSA-N 1 0 316.239 3.225 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1N(C)C ZINC000815074235 627623143 /nfs/dbraw/zinc/62/31/43/627623143.db2.gz MVFNTLLAMBDPJY-MSOLQXFVSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)ccc1N(C)C ZINC000815095080 627626271 /nfs/dbraw/zinc/62/62/71/627626271.db2.gz LXMUQWFQIYUKNH-GOSISDBHSA-N 1 0 302.462 3.452 20 10 DGCDRO Cc1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)ccc1N(C)C ZINC000815100028 627626655 /nfs/dbraw/zinc/62/66/55/627626655.db2.gz PFMDNDTUGBIVMZ-LJQANCHMSA-N 1 0 302.462 3.452 20 10 DGCDRO Cc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1N(C)C ZINC000815118520 627630116 /nfs/dbraw/zinc/63/01/16/627630116.db2.gz WLGSIQPCIATWAS-SJLPKXTDSA-N 1 0 301.478 3.120 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1cc[nH]c(=O)c1 ZINC000815148064 627637616 /nfs/dbraw/zinc/63/76/16/627637616.db2.gz KSZIBEMIWFJLEF-SECBINFHSA-N 1 0 323.190 3.106 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1 ZINC000815232210 627648323 /nfs/dbraw/zinc/64/83/23/627648323.db2.gz TXNQZNSPNCJMPZ-LJQANCHMSA-N 1 0 304.478 3.373 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c(O)c1 ZINC000815553440 627684189 /nfs/dbraw/zinc/68/41/89/627684189.db2.gz AGFMEICIYFTGCC-IAGOWNOFSA-N 1 0 320.477 3.016 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc2c1OCO2 ZINC000924863140 627688464 /nfs/dbraw/zinc/68/84/64/627688464.db2.gz VTNNAYNJTYWWCK-GFCCVEGCSA-N 1 0 316.376 3.471 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815632897 627692761 /nfs/dbraw/zinc/69/27/61/627692761.db2.gz AYVKFNURSSGYLG-SGMGOOAPSA-N 1 0 322.424 3.222 20 10 DGCDRO C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C[NH+](C)C ZINC000815627809 627692807 /nfs/dbraw/zinc/69/28/07/627692807.db2.gz KEFQACVOZNQIIL-GHMZBOCLSA-N 1 0 304.356 3.259 20 10 DGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)C1CC1 ZINC000815651478 627695027 /nfs/dbraw/zinc/69/50/27/627695027.db2.gz UUPQBWOZSCTOCF-OTYXRUKQSA-N 1 0 314.223 3.230 20 10 DGCDRO c1csc(SCCC[NH2+][C@H](C2CC2)[C@H]2CCCOC2)n1 ZINC000925104380 627708919 /nfs/dbraw/zinc/70/89/19/627708919.db2.gz YDTVHJGDGQTSQL-UONOGXRCSA-N 1 0 312.504 3.420 20 10 DGCDRO C[C@@H]([NH3+])[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000925544464 627751171 /nfs/dbraw/zinc/75/11/71/627751171.db2.gz RVYNBWFXMUQRQK-UZLBHIALSA-N 1 0 309.457 3.465 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1[O-] ZINC000925779623 627793807 /nfs/dbraw/zinc/79/38/07/627793807.db2.gz YPOKQIRQSBSAOZ-GXFFZTMASA-N 1 0 318.795 3.331 20 10 DGCDRO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816517468 627801185 /nfs/dbraw/zinc/80/11/85/627801185.db2.gz QQIYJLFFMMZLKC-MRXNPFEDSA-N 1 0 308.385 3.011 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000816521121 627801421 /nfs/dbraw/zinc/80/14/21/627801421.db2.gz HQRBEIMHAWYDPV-VXGBXAGGSA-N 1 0 313.800 3.433 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC000816534683 627803298 /nfs/dbraw/zinc/80/32/98/627803298.db2.gz QLICTYAODLUIRY-UHFFFAOYSA-N 1 0 307.397 3.296 20 10 DGCDRO Cc1nocc1CN(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000816566151 627809486 /nfs/dbraw/zinc/80/94/86/627809486.db2.gz MIWMUTLFENYANX-UHFFFAOYSA-N 1 0 315.417 3.094 20 10 DGCDRO CC(C)OC[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816571832 627810153 /nfs/dbraw/zinc/81/01/53/627810153.db2.gz RRLKLKMPBRGECP-QGZVFWFLSA-N 1 0 315.413 3.171 20 10 DGCDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816587770 627811502 /nfs/dbraw/zinc/81/15/02/627811502.db2.gz VXGKGHUKQBSKSJ-ISTVAULSSA-N 1 0 301.789 3.166 20 10 DGCDRO OC[C@H](Cc1ccccc1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816586131 627811637 /nfs/dbraw/zinc/81/16/37/627811637.db2.gz ATNOSMZIROJNPA-SFHVURJKSA-N 1 0 307.393 3.239 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)Cc1ccccc1 ZINC000816624587 627816173 /nfs/dbraw/zinc/81/61/73/627816173.db2.gz AFJRTBLENVQVHG-MRXNPFEDSA-N 1 0 305.805 3.081 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cc(Br)ccc2O)cc(C)n1 ZINC000817411942 627895304 /nfs/dbraw/zinc/89/53/04/627895304.db2.gz ZTFWSWHAZOOOAZ-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1O ZINC000817412426 627895803 /nfs/dbraw/zinc/89/58/03/627895803.db2.gz KYLFNLAHHLOWRH-DZGCQCFKSA-N 1 0 305.418 3.334 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[N@@H+]1C ZINC000817417371 627897247 /nfs/dbraw/zinc/89/72/47/627897247.db2.gz KVKBESRJLVMQBL-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000817419645 627897759 /nfs/dbraw/zinc/89/77/59/627897759.db2.gz VQKXQLINIAYUAE-YWPBOTNQSA-N 1 0 302.462 3.250 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCO)CC2)c1O ZINC000817418646 627897889 /nfs/dbraw/zinc/89/78/89/627897889.db2.gz AQGAEDGLVCKFIY-LBPRGKRZSA-N 1 0 313.825 3.039 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CC(SC)C3)C2)cc1 ZINC000926614674 627922056 /nfs/dbraw/zinc/92/20/56/627922056.db2.gz ZXQWJZKSKHEHGG-CBCUQQMYSA-N 1 0 306.475 3.005 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000817578220 627924182 /nfs/dbraw/zinc/92/41/82/627924182.db2.gz SPJXRAKIPJONCK-GOSISDBHSA-N 1 0 309.457 3.493 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2cnnn2C)c(C)n1-c1cccc(C)c1 ZINC000926764312 627948867 /nfs/dbraw/zinc/94/88/67/627948867.db2.gz JDPSIWLVFJNXSS-HNNXBMFYSA-N 1 0 323.444 3.382 20 10 DGCDRO CN1CCCc2cc(CN[C@H]3C[C@H]([NH3+])c4ccccc43)ccc21 ZINC000817900032 627956363 /nfs/dbraw/zinc/95/63/63/627956363.db2.gz JSTQKOPMTQWSJL-OALUTQOASA-N 1 0 307.441 3.303 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCNCc2cccnc2)c(O)c1C ZINC000817939911 627967705 /nfs/dbraw/zinc/96/77/05/627967705.db2.gz IBWPLTYVBIIJPS-INIZCTEOSA-N 1 0 313.445 3.235 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000817941902 627968441 /nfs/dbraw/zinc/96/84/41/627968441.db2.gz LRISUMWKTLYADD-RTWAWAEBSA-N 1 0 323.484 3.363 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H](C2CC2)C2CCCC2)cc1 ZINC000817940875 627968452 /nfs/dbraw/zinc/96/84/52/627968452.db2.gz LTNCDPAEQNGLAX-RBUKOAKNSA-N 1 0 301.478 3.311 20 10 DGCDRO CC[C@H]([NH2+]CCCNCc1cccnc1)c1ccc(C)cc1O ZINC000817942233 627968574 /nfs/dbraw/zinc/96/85/74/627968574.db2.gz ZJISBKDTUAAZSN-SFHVURJKSA-N 1 0 313.445 3.316 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCc3ccccc3CC2)cc1 ZINC000817940717 627968660 /nfs/dbraw/zinc/96/86/60/627968660.db2.gz HJTCROYALJSPAM-OAQYLSRUSA-N 1 0 323.484 3.290 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCCc3ccccc3C2)cc1 ZINC000817944200 627969752 /nfs/dbraw/zinc/96/97/52/627969752.db2.gz YCPSLDQOALGBIK-FPOVZHCZSA-N 1 0 323.484 3.290 20 10 DGCDRO COc1ccsc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943863 627969799 /nfs/dbraw/zinc/96/97/99/627969799.db2.gz WEHKLBRCWVTNDS-DOMZBBRYSA-N 1 0 319.474 3.173 20 10 DGCDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817952800 627972706 /nfs/dbraw/zinc/97/27/06/627972706.db2.gz SUHLOQFKPPKBLB-GDBMZVCRSA-N 1 0 305.441 3.219 20 10 DGCDRO CC[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817953811 627973239 /nfs/dbraw/zinc/97/32/39/627973239.db2.gz RSMBPXVOTJZVLA-AAEUAGOBSA-N 1 0 302.340 3.204 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000817956203 627974132 /nfs/dbraw/zinc/97/41/32/627974132.db2.gz SZDRDFKUSRGBQJ-OAHLLOKOSA-N 1 0 323.440 3.289 20 10 DGCDRO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956138 627974183 /nfs/dbraw/zinc/97/41/83/627974183.db2.gz RODPJDXVGGRNIK-UWJYYQICSA-N 1 0 323.484 3.312 20 10 DGCDRO COc1cc(F)c([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000817955459 627974197 /nfs/dbraw/zinc/97/41/97/627974197.db2.gz BJHHIWZPOLUAFG-LBPRGKRZSA-N 1 0 318.392 3.318 20 10 DGCDRO CC(C)C[C@@H](CN)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000817957557 627974634 /nfs/dbraw/zinc/97/46/34/627974634.db2.gz CVYPMLZFZYGNAD-PWSUYJOCSA-N 1 0 315.255 3.179 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)c2c1c(F)ccc2O ZINC000817958409 627974863 /nfs/dbraw/zinc/97/48/63/627974863.db2.gz VJMMGFQZLXUIHF-IAQYHMDHSA-N 1 0 300.377 3.494 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000817969926 627978398 /nfs/dbraw/zinc/97/83/98/627978398.db2.gz IIMHSOVRTIMHRF-GBIKHYSHSA-N 1 0 302.340 3.060 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000817969929 627978519 /nfs/dbraw/zinc/97/85/19/627978519.db2.gz IIMHSOVRTIMHRF-OUJBWJOFSA-N 1 0 302.340 3.060 20 10 DGCDRO C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968366 627978981 /nfs/dbraw/zinc/97/89/81/627978981.db2.gz QRWWJSMLMUOAQP-SECBINFHSA-N 1 0 301.217 3.269 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817980650 627982705 /nfs/dbraw/zinc/98/27/05/627982705.db2.gz CTVBCHSPQPVSIL-IVZWLZJFSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1O ZINC000817980286 627982812 /nfs/dbraw/zinc/98/28/12/627982812.db2.gz KMAQIPITWWNOHJ-IAQYHMDHSA-N 1 0 306.356 3.193 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817982234 627983429 /nfs/dbraw/zinc/98/34/29/627983429.db2.gz PRISUSHKAPYJHC-LPEHRKFASA-N 1 0 303.233 3.477 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2)n1 ZINC000927046739 628002235 /nfs/dbraw/zinc/00/22/35/628002235.db2.gz BJYKZSYCEGCEQA-WZRBSPASSA-N 1 0 319.380 3.464 20 10 DGCDRO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000818221419 628006701 /nfs/dbraw/zinc/00/67/01/628006701.db2.gz MEGJNXNJSZOEFG-JFIYKMOQSA-N 1 0 318.461 3.069 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)ccc1N1CCCCC1 ZINC000818237521 628008131 /nfs/dbraw/zinc/00/81/31/628008131.db2.gz MLASLHKKXLZNIY-MUJYYYPQSA-N 1 0 315.417 3.473 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nc3c(s2)COCC3)c1 ZINC000927121154 628020747 /nfs/dbraw/zinc/02/07/47/628020747.db2.gz LPGIZROVLNOMGU-NSHDSACASA-N 1 0 304.415 3.081 20 10 DGCDRO CN(C)c1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])c(C(F)(F)F)c1 ZINC000818431019 628022507 /nfs/dbraw/zinc/02/25/07/628022507.db2.gz DARYMOAIGAENPB-HUUCEWRRSA-N 1 0 315.383 3.131 20 10 DGCDRO Nc1ccc(CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000818545266 628033632 /nfs/dbraw/zinc/03/36/32/628033632.db2.gz TYVYMWKAVJDGKM-SFHVURJKSA-N 1 0 317.477 3.005 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000818608038 628041353 /nfs/dbraw/zinc/04/13/53/628041353.db2.gz JHGAXWWSMHZYDJ-IAGOWNOFSA-N 1 0 317.477 3.007 20 10 DGCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819291192 628128125 /nfs/dbraw/zinc/12/81/25/628128125.db2.gz RAYYDUOFQLCQDL-DZGCQCFKSA-N 1 0 310.869 3.437 20 10 DGCDRO C[N@H+](C[C@@H](O)CNc1ccc(Nc2ccccc2)cc1)C1CC1 ZINC000819396194 628147339 /nfs/dbraw/zinc/14/73/39/628147339.db2.gz ZLASPRKAKDYGJY-IBGZPJMESA-N 1 0 311.429 3.297 20 10 DGCDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000822452053 628452842 /nfs/dbraw/zinc/45/28/42/628452842.db2.gz VGRDGRAQWOCTCY-HZPDHXFCSA-N 1 0 308.516 3.223 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCN(C(C)(C)C)C1=O ZINC000822653833 628475596 /nfs/dbraw/zinc/47/55/96/628475596.db2.gz CUCKRKXIJVWIRF-HNNXBMFYSA-N 1 0 304.434 3.004 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1 ZINC000823476967 628566493 /nfs/dbraw/zinc/56/64/93/628566493.db2.gz FURDMUPEKGGILU-SFHVURJKSA-N 1 0 316.470 3.341 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC(C)(C)CO)cc1 ZINC000824031830 628620684 /nfs/dbraw/zinc/62/06/84/628620684.db2.gz BDEOIBGFCZMCDR-UHFFFAOYSA-N 1 0 318.486 3.493 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)N(C)C ZINC000824092429 628626174 /nfs/dbraw/zinc/62/61/74/628626174.db2.gz ZXVWGLOOHIHWDN-HNNXBMFYSA-N 1 0 317.502 3.424 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)N(C)C ZINC000824092430 628626636 /nfs/dbraw/zinc/62/66/36/628626636.db2.gz ZXVWGLOOHIHWDN-OAHLLOKOSA-N 1 0 317.502 3.424 20 10 DGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000824376769 628655960 /nfs/dbraw/zinc/65/59/60/628655960.db2.gz NUOQWSHYYPAAKX-QWHCGFSZSA-N 1 0 314.223 3.202 20 10 DGCDRO CCCn1nccc1C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000824484427 628664917 /nfs/dbraw/zinc/66/49/17/628664917.db2.gz GTDPJKZXZQRWFI-UHFFFAOYSA-N 1 0 300.450 3.381 20 10 DGCDRO CCC[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000824544338 628669330 /nfs/dbraw/zinc/66/93/30/628669330.db2.gz VJHPZNSCRDGADM-SFHVURJKSA-N 1 0 306.450 3.069 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2cnn3c2CCC3)C2CC2)cc1 ZINC000824555338 628670746 /nfs/dbraw/zinc/67/07/46/628670746.db2.gz FNQSGYJHEFFWJY-UHFFFAOYSA-N 1 0 310.445 3.060 20 10 DGCDRO CC[C@@H](C)[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000824596732 628674937 /nfs/dbraw/zinc/67/49/37/628674937.db2.gz KYEYGVKIEUPARH-DNVCBOLYSA-N 1 0 320.477 3.315 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000824691195 628683820 /nfs/dbraw/zinc/68/38/20/628683820.db2.gz XZLLBMDRWZUSDL-HNNXBMFYSA-N 1 0 321.804 3.220 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000824709871 628685987 /nfs/dbraw/zinc/68/59/87/628685987.db2.gz PQEAGIHUXDKTAW-OAHLLOKOSA-N 1 0 308.853 3.414 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F ZINC000824715102 628686577 /nfs/dbraw/zinc/68/65/77/628686577.db2.gz HQNLEOBRZORQCM-YXJHDRRASA-N 1 0 306.425 3.017 20 10 DGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000824783181 628693323 /nfs/dbraw/zinc/69/33/23/628693323.db2.gz GHXREJLREGHPQJ-ZJUUUORDSA-N 1 0 314.223 3.299 20 10 DGCDRO CCOc1cccc(C[NH2+]CCCc2ncccc2C)c1O ZINC000824783275 628693621 /nfs/dbraw/zinc/69/36/21/628693621.db2.gz IKVBQMZJQOSPIA-UHFFFAOYSA-N 1 0 300.402 3.217 20 10 DGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)[nH]1 ZINC000824933891 628708948 /nfs/dbraw/zinc/70/89/48/628708948.db2.gz KIGOKKOSJGADTM-GFCCVEGCSA-N 1 0 320.824 3.160 20 10 DGCDRO COc1cc(O)c(C[NH2+]CCc2cc(C)ccc2F)cc1OC ZINC000824977079 628712916 /nfs/dbraw/zinc/71/29/16/628712916.db2.gz JKKXJQSACUZCSA-UHFFFAOYSA-N 1 0 319.376 3.189 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N(C)C)nc2)cc1Cl ZINC000825103038 628728095 /nfs/dbraw/zinc/72/80/95/628728095.db2.gz VHZNNQQPHLOKTA-UHFFFAOYSA-N 1 0 305.809 3.105 20 10 DGCDRO CCOc1cccc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1O ZINC000825104258 628728294 /nfs/dbraw/zinc/72/82/94/628728294.db2.gz SCXGJLZVQBKGLU-JKSUJKDBSA-N 1 0 305.418 3.180 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000825112246 628729327 /nfs/dbraw/zinc/72/93/27/628729327.db2.gz SBWOMBOFXNDGJA-GJZGRUSLSA-N 1 0 324.424 3.157 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)cc1C ZINC000825123722 628730690 /nfs/dbraw/zinc/73/06/90/628730690.db2.gz BZTZQDVMCBJVDQ-QGZVFWFLSA-N 1 0 322.412 3.043 20 10 DGCDRO COc1ccccc1[C@@H](O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825130726 628731293 /nfs/dbraw/zinc/73/12/93/628731293.db2.gz DSMMVJNWTZVRMF-INIZCTEOSA-N 1 0 321.804 3.186 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2cccc(F)c2)cc1Cl ZINC000825166819 628734347 /nfs/dbraw/zinc/73/43/47/628734347.db2.gz FJQOQXFUEKDROT-MRXNPFEDSA-N 1 0 309.768 3.316 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000825188990 628736341 /nfs/dbraw/zinc/73/63/41/628736341.db2.gz VFACLGMOOWNBJL-IUODEOHRSA-N 1 0 316.367 3.022 20 10 DGCDRO COC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000825321784 628749053 /nfs/dbraw/zinc/74/90/53/628749053.db2.gz NUHWCXJLVMVHRF-GFCCVEGCSA-N 1 0 313.825 3.303 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1ccc(Br)cc1O)C(C)(C)C ZINC000825320860 628749506 /nfs/dbraw/zinc/74/95/06/628749506.db2.gz PDHPUTSZZWCBHV-ZDUSSCGKSA-N 1 0 316.239 3.305 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)Cc2cc(F)cc(OC)c2)c1 ZINC000825326263 628750043 /nfs/dbraw/zinc/75/00/43/628750043.db2.gz KXEQZOZHFWIYCV-LBPRGKRZSA-N 1 0 319.376 3.269 20 10 DGCDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000825338636 628751725 /nfs/dbraw/zinc/75/17/25/628751725.db2.gz RXNLVYDIQYSZJD-CYBMUJFWSA-N 1 0 300.805 3.099 20 10 DGCDRO CC(C)n1ccnc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000825509996 628770358 /nfs/dbraw/zinc/77/03/58/628770358.db2.gz UEJFUZMOFAPUBC-UHFFFAOYSA-N 1 0 316.449 3.041 20 10 DGCDRO COc1cc(C[NH2+]C2CCC(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825548513 628772729 /nfs/dbraw/zinc/77/27/29/628772729.db2.gz HJFSRQKYQBDWCT-UHFFFAOYSA-N 1 0 307.434 3.091 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@]2(C)CO)c(O)c(C(C)(C)C)c1 ZINC000825628978 628778778 /nfs/dbraw/zinc/77/87/78/628778778.db2.gz OMQYZRVJHLMOEI-SFHVURJKSA-N 1 0 307.434 3.045 20 10 DGCDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825685756 628785737 /nfs/dbraw/zinc/78/57/37/628785737.db2.gz LLYXTIONGYQVHP-JTQLQIEISA-N 1 0 316.264 3.482 20 10 DGCDRO COc1cc(CN(C)CCC[NH+](C)C)c(O)c(C(C)(C)C)c1 ZINC000825903825 628809321 /nfs/dbraw/zinc/80/93/21/628809321.db2.gz SWGRNGSUDXMXQI-UHFFFAOYSA-N 1 0 308.466 3.082 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)o1 ZINC000825916213 628810180 /nfs/dbraw/zinc/81/01/80/628810180.db2.gz KPGKKILZLNIVFE-UHFFFAOYSA-N 1 0 309.749 3.023 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000826130829 628830076 /nfs/dbraw/zinc/83/00/76/628830076.db2.gz MIHNJLWHRZOLOM-KGLIPLIRSA-N 1 0 321.461 3.149 20 10 DGCDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000826139414 628830854 /nfs/dbraw/zinc/83/08/54/628830854.db2.gz AZKFTHSXBAQZGY-UHFFFAOYSA-N 1 0 319.714 3.088 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)c1O ZINC000826839305 628893789 /nfs/dbraw/zinc/89/37/89/628893789.db2.gz PYPLGOPOKQEVON-UHFFFAOYSA-N 1 0 311.307 3.053 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(C)c3O)C2)cc1 ZINC000826846166 628894071 /nfs/dbraw/zinc/89/40/71/628894071.db2.gz QHZRQBVDYLYXDT-INIZCTEOSA-N 1 0 312.413 3.078 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000826899406 628900889 /nfs/dbraw/zinc/90/08/89/628900889.db2.gz MTRBVMOQYCVRJE-UHFFFAOYSA-N 1 0 324.472 3.346 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000827284284 628945840 /nfs/dbraw/zinc/94/58/40/628945840.db2.gz UGJYFKUZNSLBOU-PKOBYXMFSA-N 1 0 302.462 3.270 20 10 DGCDRO CC(C)[C@@H](O)[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000827525685 628968018 /nfs/dbraw/zinc/96/80/18/628968018.db2.gz CQMLVQOSPJVYHX-QZTJIDSGSA-N 1 0 303.377 3.379 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000827537430 628968708 /nfs/dbraw/zinc/96/87/08/628968708.db2.gz BIPSXBJABWQLFQ-UHFFFAOYSA-N 1 0 307.821 3.437 20 10 DGCDRO Cc1cccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000827663002 628981188 /nfs/dbraw/zinc/98/11/88/628981188.db2.gz YBNYZRAEXWCBQI-UHFFFAOYSA-N 1 0 324.468 3.288 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000827751927 628988561 /nfs/dbraw/zinc/98/85/61/628988561.db2.gz YYJWFRDNGAHHSQ-AEFFLSMTSA-N 1 0 305.418 3.221 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cccc(CC)c1O ZINC000827751517 628988593 /nfs/dbraw/zinc/98/85/93/628988593.db2.gz VVXSSGNSPDTBNW-QAPCUYQASA-N 1 0 305.418 3.166 20 10 DGCDRO C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1O ZINC000827941431 629006008 /nfs/dbraw/zinc/00/60/08/629006008.db2.gz RUWQUUDFMDCBRN-CQSZACIVSA-N 1 0 304.434 3.082 20 10 DGCDRO C[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000827947025 629006649 /nfs/dbraw/zinc/00/66/49/629006649.db2.gz YMFABPCRPNGCKI-PBHICJAKSA-N 1 0 312.413 3.262 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000828147644 629028097 /nfs/dbraw/zinc/02/80/97/629028097.db2.gz HOMHXMVFCNXWAF-GOSISDBHSA-N 1 0 324.424 3.018 20 10 DGCDRO CCc1cc(CCC[NH2+][C@H](C)c2cc(OC)ccc2O)on1 ZINC000828682743 629082089 /nfs/dbraw/zinc/08/20/89/629082089.db2.gz SBDYRWDXWKGXEE-GFCCVEGCSA-N 1 0 304.390 3.235 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)ccc1N(C)C ZINC000828910096 629108563 /nfs/dbraw/zinc/10/85/63/629108563.db2.gz CNIIEXLQEQSRCI-IEBWSBKVSA-N 1 0 302.462 3.452 20 10 DGCDRO CCN(C)c1ccc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000830087263 629223813 /nfs/dbraw/zinc/22/38/13/629223813.db2.gz CLCFENUCYIKCML-INIZCTEOSA-N 1 0 301.478 3.059 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)CC)cc2)[C@@H]1SC ZINC000830457069 629271889 /nfs/dbraw/zinc/27/18/89/629271889.db2.gz XRDIYWMNWISBND-ZACQAIPSSA-N 1 0 308.491 3.141 20 10 DGCDRO CCC1([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000830777913 629304488 /nfs/dbraw/zinc/30/44/88/629304488.db2.gz GFBKDPVCIRHXPE-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)ccc1N1CCCCC1 ZINC000831181793 629347212 /nfs/dbraw/zinc/34/72/12/629347212.db2.gz XMMNYNRXITVVKZ-SFHVURJKSA-N 1 0 324.415 3.187 20 10 DGCDRO C[C@@H]1CCC[C@@H](CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832278449 629458381 /nfs/dbraw/zinc/45/83/81/629458381.db2.gz CFSPTFWGOMJOQW-IIDMSEBBSA-N 1 0 317.477 3.085 20 10 DGCDRO COc1ccc(O[C@@H](C)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000834606214 629739037 /nfs/dbraw/zinc/73/90/37/629739037.db2.gz GGJZAUQNXZPYRR-SUMWQHHRSA-N 1 0 313.397 3.445 20 10 DGCDRO Cc1cccn2cc(CC[NH2+][C@H]3CCc4cccc(O)c43)nc12 ZINC000834612488 629739749 /nfs/dbraw/zinc/73/97/49/629739749.db2.gz UJHZBYXJKOAZQB-INIZCTEOSA-N 1 0 307.397 3.168 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)CC2 ZINC000834639784 629745325 /nfs/dbraw/zinc/74/53/25/629745325.db2.gz BJCQPNWTRHSUEQ-HNNXBMFYSA-N 1 0 305.324 3.326 20 10 DGCDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1CCc3cccc(O)c31)CC2 ZINC000834783936 629779457 /nfs/dbraw/zinc/77/94/57/629779457.db2.gz PKBCQNAIHZEFOI-HOTGVXAUSA-N 1 0 311.429 3.304 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC000834828802 629786349 /nfs/dbraw/zinc/78/63/49/629786349.db2.gz ZYDMKXFTEUBGKP-CJNGLKHVSA-N 1 0 303.377 3.094 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc(F)ccc1O ZINC000834890096 629798794 /nfs/dbraw/zinc/79/87/94/629798794.db2.gz CWXFBLWNFOGIMB-WBHUJUFNSA-N 1 0 316.376 3.497 20 10 DGCDRO COCC(COC)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000834893788 629800214 /nfs/dbraw/zinc/80/02/14/629800214.db2.gz XMLXTBHWYDZWTG-AWEZNQCLSA-N 1 0 324.440 3.128 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c1 ZINC000834898145 629801850 /nfs/dbraw/zinc/80/18/50/629801850.db2.gz JKOUUZXRRGCFBT-IYOUNJFTSA-N 1 0 315.417 3.005 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000834906422 629804800 /nfs/dbraw/zinc/80/48/00/629804800.db2.gz QPBHQLGDMGEDKQ-BEFAXECRSA-N 1 0 302.462 3.489 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1C ZINC000834912276 629807562 /nfs/dbraw/zinc/80/75/62/629807562.db2.gz CAFPKHXCJZJQMZ-YOEHRIQHSA-N 1 0 317.404 3.402 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc(Br)ccc1O ZINC000834915207 629807609 /nfs/dbraw/zinc/80/76/09/629807609.db2.gz PAUSEWDTMXMLIE-JFGNBEQYSA-N 1 0 314.223 3.373 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000835026119 629827695 /nfs/dbraw/zinc/82/76/95/629827695.db2.gz QALLTNPEDYRDFJ-IVZVJUQRSA-N 1 0 310.445 3.369 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000835026209 629827799 /nfs/dbraw/zinc/82/77/99/629827799.db2.gz SEFLBXDXDNVXAX-REMYHPOOSA-N 1 0 300.446 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000835028784 629828999 /nfs/dbraw/zinc/82/89/99/629828999.db2.gz SHFPVUGEKRYWMS-SIEMBAAWSA-N 1 0 310.445 3.299 20 10 DGCDRO CCC[N@H+](C)C[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027119 629829197 /nfs/dbraw/zinc/82/91/97/629829197.db2.gz BJQSDCNUTLPSRF-LIXSYLKWSA-N 1 0 315.505 3.430 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000835027274 629829387 /nfs/dbraw/zinc/82/93/87/629829387.db2.gz JSHNKVUUHKXCIM-HCZHMGAMSA-N 1 0 313.489 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCn2cnc3ccccc32)cc1 ZINC000835037597 629831144 /nfs/dbraw/zinc/83/11/44/629831144.db2.gz REDICKZEYQIOOJ-AATRIKPKSA-N 1 0 320.440 3.405 20 10 DGCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@@H](O)Cc1ccccc1 ZINC000835040764 629832176 /nfs/dbraw/zinc/83/21/76/629832176.db2.gz GWDVLUPFXYYQRS-QCYFGELBSA-N 1 0 324.468 3.348 20 10 DGCDRO Cc1ccsc1[C@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042885 629832720 /nfs/dbraw/zinc/83/27/20/629832720.db2.gz LCVCMXSKROOTOR-CHYADLBTSA-N 1 0 316.470 3.459 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000835042313 629832995 /nfs/dbraw/zinc/83/29/95/629832995.db2.gz SNXMADHFDIIQPX-LYSGITKLSA-N 1 0 322.452 3.189 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCC(=O)OC(C)(C)C)cc1 ZINC000835042091 629833110 /nfs/dbraw/zinc/83/31/10/629833110.db2.gz GPWNZEZLPITBPB-SOFGYWHQSA-N 1 0 318.461 3.477 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC000835047210 629835812 /nfs/dbraw/zinc/83/58/12/629835812.db2.gz CXLKZOAJTHDQOR-JLXBBBJOSA-N 1 0 324.468 3.349 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccc3c[nH]nc3c2)cc1 ZINC000835050529 629836348 /nfs/dbraw/zinc/83/63/48/629836348.db2.gz TWCGXZRQJUCBID-ARJAWSKDSA-N 1 0 320.440 3.474 20 10 DGCDRO Cc1ncsc1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835053462 629837425 /nfs/dbraw/zinc/83/74/25/629837425.db2.gz CQDFNXHMKDXCSJ-PLNGDYQASA-N 1 0 301.459 3.363 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000835052872 629837443 /nfs/dbraw/zinc/83/74/43/629837443.db2.gz QGNGWXHIZWDFGL-PLNGDYQASA-N 1 0 322.456 3.289 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1O ZINC000835066409 629842404 /nfs/dbraw/zinc/84/24/04/629842404.db2.gz PKRRGFZBWJPOMS-KRWDZBQOSA-N 1 0 307.434 3.068 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCC23CCC3)cc(F)c1N1CCOCC1 ZINC000840758632 630356114 /nfs/dbraw/zinc/35/61/14/630356114.db2.gz PWHLCZVIZHSMBC-MRXNPFEDSA-N 1 0 322.399 3.224 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000840760921 630356668 /nfs/dbraw/zinc/35/66/68/630356668.db2.gz KTFLDGNOMRMKQL-MRXNPFEDSA-N 1 0 310.388 3.080 20 10 DGCDRO CCn1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)n1 ZINC000840839885 630365401 /nfs/dbraw/zinc/36/54/01/630365401.db2.gz ANSMUQZZMWTWNP-SNVBAGLBSA-N 1 0 324.222 3.222 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000840854624 630367503 /nfs/dbraw/zinc/36/75/03/630367503.db2.gz FEZYYYNIMIGWMM-UMVBOHGHSA-N 1 0 324.465 3.207 20 10 DGCDRO Cc1cc(C)n(CCC[NH2+]Cc2c(O)cc(C)cc2Cl)n1 ZINC000840877026 630370099 /nfs/dbraw/zinc/37/00/99/630370099.db2.gz RXYYDMJNGHOZBT-UHFFFAOYSA-N 1 0 307.825 3.347 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H](O)C(C)C ZINC000840879825 630371125 /nfs/dbraw/zinc/37/11/25/630371125.db2.gz TXAMKNFNFIROGL-OALUTQOASA-N 1 0 320.477 3.049 20 10 DGCDRO CCN1CCC([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840892569 630373841 /nfs/dbraw/zinc/37/38/41/630373841.db2.gz BGNDIRYYGWAHQE-INIZCTEOSA-N 1 0 303.494 3.066 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000840893874 630373846 /nfs/dbraw/zinc/37/38/46/630373846.db2.gz NNWVPLKOMUJRQN-GUXCAODWSA-N 1 0 315.505 3.064 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)c2ccccc2)c(Cl)c1 ZINC000840903828 630375279 /nfs/dbraw/zinc/37/52/79/630375279.db2.gz QOFLBPIALBINBV-AWEZNQCLSA-N 1 0 305.805 3.220 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)c(Cl)c1 ZINC000840909653 630376213 /nfs/dbraw/zinc/37/62/13/630376213.db2.gz GFAYKTOEUGUCFN-UHFFFAOYSA-N 1 0 324.852 3.091 20 10 DGCDRO COc1cc(CC[NH2+]Cc2ccc(N(C)C)cc2C)ccc1O ZINC000840933902 630380004 /nfs/dbraw/zinc/38/00/04/630380004.db2.gz JTONQHWCWKINON-UHFFFAOYSA-N 1 0 314.429 3.108 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000840942429 630382017 /nfs/dbraw/zinc/38/20/17/630382017.db2.gz MTUXLUMEPCKQJK-OAQYLSRUSA-N 1 0 324.468 3.375 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000840946405 630382193 /nfs/dbraw/zinc/38/21/93/630382193.db2.gz IRAXTVRDAISQTA-UHFFFAOYSA-N 1 0 324.472 3.346 20 10 DGCDRO Cc1cc(O)c(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(Cl)c1 ZINC000840948008 630382472 /nfs/dbraw/zinc/38/24/72/630382472.db2.gz JIXYPYLQJQYIJB-KBPBESRZSA-N 1 0 308.853 3.413 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)c1O ZINC000840948749 630382669 /nfs/dbraw/zinc/38/26/69/630382669.db2.gz JWJUUGQMMPPOAV-UHFFFAOYSA-N 1 0 323.295 3.012 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC3(CC2)OCCCO3)c(Cl)c1 ZINC000840948210 630382846 /nfs/dbraw/zinc/38/28/46/630382846.db2.gz CAQASBQJONIOEH-UHFFFAOYSA-N 1 0 311.809 3.083 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN(CC[NH+](C)C)Cc1ccco1 ZINC000840949255 630383380 /nfs/dbraw/zinc/38/33/80/630383380.db2.gz SATHOVMUEJZPKK-UHFFFAOYSA-N 1 0 315.461 3.218 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000840951149 630383385 /nfs/dbraw/zinc/38/33/85/630383385.db2.gz TXLOTSJGEOLQKX-PBHICJAKSA-N 1 0 309.837 3.241 20 10 DGCDRO COCC[C@@H](C)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000840955524 630383873 /nfs/dbraw/zinc/38/38/73/630383873.db2.gz SFVDGRIVGPTCIS-SNVBAGLBSA-N 1 0 316.239 3.225 20 10 DGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(O)c1 ZINC000840956103 630385420 /nfs/dbraw/zinc/38/54/20/630385420.db2.gz AWWBLKDFEPLMET-WMZOPIPTSA-N 1 0 313.397 3.099 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000840974953 630389454 /nfs/dbraw/zinc/38/94/54/630389454.db2.gz AECCZTMUJFUNGN-MRXNPFEDSA-N 1 0 322.456 3.430 20 10 DGCDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841004523 630394366 /nfs/dbraw/zinc/39/43/66/630394366.db2.gz JOMMBWGRMLZMPP-FVQHAEBGSA-N 1 0 321.384 3.441 20 10 DGCDRO CCOc1cccc(CNCC[NH2+]C2CCCCCC2)c1O ZINC000841028080 630398302 /nfs/dbraw/zinc/39/83/02/630398302.db2.gz LGHVVIXMBGDUSD-UHFFFAOYSA-N 1 0 306.450 3.193 20 10 DGCDRO CCC([NH3+])(CC)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000841031430 630398410 /nfs/dbraw/zinc/39/84/10/630398410.db2.gz TXLAVEYHUXKKCT-UHFFFAOYSA-N 1 0 315.255 3.070 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2nccc3ccccc32)cc1 ZINC000841042323 630400717 /nfs/dbraw/zinc/40/07/17/630400717.db2.gz IANYFTLCCGKXIN-IBGZPJMESA-N 1 0 320.440 3.090 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000841040101 630400790 /nfs/dbraw/zinc/40/07/90/630400790.db2.gz IKKCVFXCIRDMSA-LJQANCHMSA-N 1 0 320.440 3.090 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(Cl)s2)cc1 ZINC000841044335 630401020 /nfs/dbraw/zinc/40/10/20/630401020.db2.gz WDUWMBLBHLOXLT-CQSZACIVSA-N 1 0 309.866 3.257 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000841045300 630401253 /nfs/dbraw/zinc/40/12/53/630401253.db2.gz JRVQKYCZJGECGW-GUDVDZBRSA-N 1 0 301.478 3.311 20 10 DGCDRO C[C@@H](C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000841042739 630401310 /nfs/dbraw/zinc/40/13/10/630401310.db2.gz NCJUYZMWKSZEES-IFXJQAMLSA-N 1 0 315.436 3.285 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2coc3ccccc23)cc1 ZINC000841045680 630402031 /nfs/dbraw/zinc/40/20/31/630402031.db2.gz ODXFQXLGTRRPHH-GOSISDBHSA-N 1 0 309.413 3.288 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2NCCc3ccccc32)c(Cl)c1 ZINC000841066744 630403772 /nfs/dbraw/zinc/40/37/72/630403772.db2.gz GIZSJNMBOUZVSH-KRWDZBQOSA-N 1 0 316.832 3.331 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000841073721 630404831 /nfs/dbraw/zinc/40/48/31/630404831.db2.gz WOTSCJHVYNRRIU-LBPRGKRZSA-N 1 0 303.233 3.321 20 10 DGCDRO [NH3+]CC[C@H](NCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000841090981 630406708 /nfs/dbraw/zinc/40/67/08/630406708.db2.gz SWHHYINGMWGRLU-HNNXBMFYSA-N 1 0 315.383 3.046 20 10 DGCDRO CCOc1cccc(CN2C[C@@H](C)[NH2+]Cc3ccccc32)c1O ZINC000841090145 630406893 /nfs/dbraw/zinc/40/68/93/630406893.db2.gz WLKVUQQSAYUIQZ-CQSZACIVSA-N 1 0 312.413 3.289 20 10 DGCDRO C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000841296488 630424058 /nfs/dbraw/zinc/42/40/58/630424058.db2.gz TYOCZXLGGGSNRC-UONOGXRCSA-N 1 0 316.449 3.043 20 10 DGCDRO C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000841296683 630424476 /nfs/dbraw/zinc/42/44/76/630424476.db2.gz XEKVRXUIDHCAAQ-CXAGYDPISA-N 1 0 312.417 3.082 20 10 DGCDRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000841298514 630424552 /nfs/dbraw/zinc/42/45/52/630424552.db2.gz AQTVSFMYDMLBEQ-UHFFFAOYSA-N 1 0 318.465 3.148 20 10 DGCDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000841301363 630425592 /nfs/dbraw/zinc/42/55/92/630425592.db2.gz MMUTXXIVLZBUAW-QGZVFWFLSA-N 1 0 312.417 3.002 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841746553 630461915 /nfs/dbraw/zinc/46/19/15/630461915.db2.gz HTTBRQAZQWDNMV-SWLSCSKDSA-N 1 0 305.805 3.300 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Cl)cc1O ZINC000841756140 630462282 /nfs/dbraw/zinc/46/22/82/630462282.db2.gz RQRBENSGYDYTOX-DYLAAIIWSA-N 1 0 305.752 3.245 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000841751994 630462313 /nfs/dbraw/zinc/46/23/13/630462313.db2.gz PWDWZITWMNUHAK-ABAIWWIYSA-N 1 0 323.795 3.439 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(Cl)cc1O ZINC000841756714 630462876 /nfs/dbraw/zinc/46/28/76/630462876.db2.gz ZQJRATKHCXBNKR-GFCCVEGCSA-N 1 0 324.852 3.487 20 10 DGCDRO COc1ccc([C@@H](C[NH3+])CN(C)c2ccc(OC)c(F)c2)cc1 ZINC000842473481 630539551 /nfs/dbraw/zinc/53/95/51/630539551.db2.gz VOVZBXBPVUFFQZ-AWEZNQCLSA-N 1 0 318.392 3.022 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000842616157 630554382 /nfs/dbraw/zinc/55/43/82/630554382.db2.gz SKRPJYGGEAIPAR-OAHLLOKOSA-N 1 0 320.396 3.022 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000842620159 630554473 /nfs/dbraw/zinc/55/44/73/630554473.db2.gz ZNRNMBXZFRIOEO-QAPCUYQASA-N 1 0 312.413 3.331 20 10 DGCDRO C[N@H+](Cc1cc2c(cc1O)CCC2)C[C@@](C)(O)c1ccccc1 ZINC000842628451 630555113 /nfs/dbraw/zinc/55/51/13/630555113.db2.gz VPAISBUEMQYYPL-HXUWFJFHSA-N 1 0 311.425 3.220 20 10 DGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1cc3c(cc1O)CCC3)CCOCC2 ZINC000842638193 630556695 /nfs/dbraw/zinc/55/66/95/630556695.db2.gz XAKAVJOYODEBDT-CQSZACIVSA-N 1 0 301.430 3.272 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842720269 630567905 /nfs/dbraw/zinc/56/79/05/630567905.db2.gz DWOATKJVLPAHOY-QGZVFWFLSA-N 1 0 317.477 3.022 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H]1SC ZINC000842767284 630574132 /nfs/dbraw/zinc/57/41/32/630574132.db2.gz NTWNHZIEDBZFKJ-BNOWGMLFSA-N 1 0 301.839 3.044 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000842783638 630576040 /nfs/dbraw/zinc/57/60/40/630576040.db2.gz IDXKWDJDZZMOTK-DZGCQCFKSA-N 1 0 305.418 3.301 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC000842891879 630591076 /nfs/dbraw/zinc/59/10/76/630591076.db2.gz XHLSJBCQZPOKNA-LBPRGKRZSA-N 1 0 319.307 3.491 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000843047979 630608481 /nfs/dbraw/zinc/60/84/81/630608481.db2.gz GDXYAKHFROVLAG-MOPGFXCFSA-N 1 0 301.478 3.168 20 10 DGCDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000843046676 630608533 /nfs/dbraw/zinc/60/85/33/630608533.db2.gz YWAADUWUUYTZKT-QFBILLFUSA-N 1 0 301.478 3.379 20 10 DGCDRO CC[C@H]1CN(Cc2ccc(N(CC)CC)c(F)c2)CC[C@H]1[NH3+] ZINC000843051980 630608937 /nfs/dbraw/zinc/60/89/37/630608937.db2.gz JMPDZTXWUCKZSP-DOTOQJQBSA-N 1 0 307.457 3.231 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1c(O)cccc1Cl ZINC000843057147 630609624 /nfs/dbraw/zinc/60/96/24/630609624.db2.gz DPHHEKWVGRMTJM-UHFFFAOYSA-N 1 0 302.805 3.457 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125279 630616736 /nfs/dbraw/zinc/61/67/36/630616736.db2.gz QRYGGMYOOSYJNT-NEPJUHHUSA-N 1 0 312.816 3.006 20 10 DGCDRO CC(=O)c1ccccc1OCCN1CCCc2cc(C[NH3+])ccc21 ZINC000843349502 630648207 /nfs/dbraw/zinc/64/82/07/630648207.db2.gz BLMVZDZJXHNYGV-UHFFFAOYSA-N 1 0 324.424 3.180 20 10 DGCDRO C[C@H](c1nc(C(C)(C)C)no1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350477 630648793 /nfs/dbraw/zinc/64/87/93/630648793.db2.gz RVLVGOYNKJYZRR-GFCCVEGCSA-N 1 0 314.433 3.340 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1O ZINC000843415909 630654315 /nfs/dbraw/zinc/65/43/15/630654315.db2.gz FAHHJNPLMLMLKX-HZPDHXFCSA-N 1 0 305.418 3.182 20 10 DGCDRO C[NH2+]CCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843488158 630662372 /nfs/dbraw/zinc/66/23/72/630662372.db2.gz RXYOSYUMPBOENO-HNNXBMFYSA-N 1 0 312.413 3.092 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@]2(CC)CCC[NH2+]2)cc1 ZINC000844167167 630711327 /nfs/dbraw/zinc/71/13/27/630711327.db2.gz SVPFFBFWWOWFOA-IBGZPJMESA-N 1 0 317.477 3.023 20 10 DGCDRO CO[C@@H](C)c1nc(CN2CCCc3cc(C[NH3+])ccc32)cs1 ZINC000844218913 630712819 /nfs/dbraw/zinc/71/28/19/630712819.db2.gz FCOGURGQFNIHGF-LBPRGKRZSA-N 1 0 317.458 3.262 20 10 DGCDRO CC[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccccc1O ZINC000844313390 630718424 /nfs/dbraw/zinc/71/84/24/630718424.db2.gz QWAASIIRJXIROV-LBPRGKRZSA-N 1 0 311.307 3.442 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000844441335 630730482 /nfs/dbraw/zinc/73/04/82/630730482.db2.gz XHISYANSUHWNQF-OAHLLOKOSA-N 1 0 313.319 3.355 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)c2c1 ZINC000844752230 630835773 /nfs/dbraw/zinc/83/57/73/630835773.db2.gz GQAMIKLTVAHSQA-GASCZTMLSA-N 1 0 305.324 3.251 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@@H]1C ZINC000845970876 631204150 /nfs/dbraw/zinc/20/41/50/631204150.db2.gz FAVAKLZURJCDSF-DVZHBHJUSA-N 1 0 321.417 3.029 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000845971214 631204187 /nfs/dbraw/zinc/20/41/87/631204187.db2.gz INPTUUXQTJZMJO-PKFCDNJMSA-N 1 0 319.323 3.161 20 10 DGCDRO CCC[C@H](C)[C@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000846018693 631206386 /nfs/dbraw/zinc/20/63/86/631206386.db2.gz VZYZGCMBQZFBGA-KXBFYZLASA-N 1 0 320.477 3.051 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c1O ZINC000846043406 631207913 /nfs/dbraw/zinc/20/79/13/631207913.db2.gz ZHFLLHMRRSMKQE-KRWDZBQOSA-N 1 0 305.418 3.086 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H]1SC ZINC000846055789 631208722 /nfs/dbraw/zinc/20/87/22/631208722.db2.gz NTWNHZIEDBZFKJ-YUTCNCBUSA-N 1 0 301.839 3.044 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1 ZINC000846108424 631209920 /nfs/dbraw/zinc/20/99/20/631209920.db2.gz DGRMNDNVUNZKDL-NSHDSACASA-N 1 0 304.217 3.464 20 10 DGCDRO COc1ccc(OCC[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846136072 631211485 /nfs/dbraw/zinc/21/14/85/631211485.db2.gz IAVINGDGYYFVAH-ZDUSSCGKSA-N 1 0 317.385 3.139 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846145068 631211936 /nfs/dbraw/zinc/21/19/36/631211936.db2.gz JXJMEHGQDQNRDK-ZBFHGGJFSA-N 1 0 315.413 3.309 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](OC)c2ccccc2)c1O ZINC000846147007 631211986 /nfs/dbraw/zinc/21/19/86/631211986.db2.gz UQOCEBSUVPPUFG-DYVFJYSZSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](OC)c2ccccc2)c1O ZINC000846147009 631212153 /nfs/dbraw/zinc/21/21/53/631212153.db2.gz UQOCEBSUVPPUFG-GUYCJALGSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2nc(C)c(C)s2)c1O ZINC000846150232 631212234 /nfs/dbraw/zinc/21/22/34/631212234.db2.gz OSHAUTXPIVJHHA-LLVKDONJSA-N 1 0 306.431 3.367 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc3c2OCCO3)c1O ZINC000846151718 631212240 /nfs/dbraw/zinc/21/22/40/631212240.db2.gz FOIPNGPOULOYPE-LBPRGKRZSA-N 1 0 315.369 3.023 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCSCC(F)(F)F)c1O ZINC000846159885 631212747 /nfs/dbraw/zinc/21/27/47/631212747.db2.gz RVMYLTQTSGZVOX-SECBINFHSA-N 1 0 309.353 3.347 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1O ZINC000846161986 631212971 /nfs/dbraw/zinc/21/29/71/631212971.db2.gz DOTKTIBTDPLGGI-GDBMZVCRSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c1O ZINC000846164149 631213113 /nfs/dbraw/zinc/21/31/13/631213113.db2.gz NLMWNVOQCSDBQQ-AUUYWEPGSA-N 1 0 315.413 3.349 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)c1O ZINC000846168248 631213321 /nfs/dbraw/zinc/21/33/21/631213321.db2.gz RNMBHDYGFCQUBJ-NFOMZHRRSA-N 1 0 304.434 3.068 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](Cc2ccccc2)OC)c1O ZINC000846170989 631213520 /nfs/dbraw/zinc/21/35/20/631213520.db2.gz QELUIJLZQXRHIE-GDBMZVCRSA-N 1 0 315.413 3.309 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2COc3c(C)cccc3C2)c1O ZINC000846174485 631213550 /nfs/dbraw/zinc/21/35/50/631213550.db2.gz WVFYWXPZEHDURD-UKRRQHHQSA-N 1 0 313.397 3.364 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1F ZINC000846185114 631214172 /nfs/dbraw/zinc/21/41/72/631214172.db2.gz ZTMNXRNBGYJHMJ-PSVSLLHZSA-N 1 0 307.340 3.443 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1O ZINC000846205957 631214746 /nfs/dbraw/zinc/21/47/46/631214746.db2.gz LUSXQWLAYNPKGT-KBPBESRZSA-N 1 0 324.424 3.207 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)CCF)c1ccc(N2CCCCC2)c(F)c1 ZINC000846209567 631214866 /nfs/dbraw/zinc/21/48/66/631214866.db2.gz SINZHQYXOHHPES-HIFRSBDPSA-N 1 0 312.404 3.187 20 10 DGCDRO C/C(=C\c1cccnc1)C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000846864811 631333127 /nfs/dbraw/zinc/33/31/27/631333127.db2.gz DXNFXYFQQPGZMQ-HAZIXKIPSA-N 1 0 321.424 3.004 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(O)cc1C ZINC000848497636 631669784 /nfs/dbraw/zinc/66/97/84/631669784.db2.gz NVLPFCAKFNUBIO-MRXNPFEDSA-N 1 0 305.418 3.243 20 10 DGCDRO CCOCC[N@H+](CC)Cc1c(O)ccc2ccc(OC)cc21 ZINC000107669027 631679274 /nfs/dbraw/zinc/67/92/74/631679274.db2.gz IIPBLPHYSVUAAF-UHFFFAOYSA-N 1 0 303.402 3.412 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(Cl)n2C)cc1 ZINC000848529269 631680221 /nfs/dbraw/zinc/68/02/21/631680221.db2.gz UPPHULDEHSWTFJ-UHFFFAOYSA-N 1 0 306.841 3.210 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1O ZINC000848558305 631691759 /nfs/dbraw/zinc/69/17/59/631691759.db2.gz LGICOAGQZZSTMI-BZNIZROVSA-N 1 0 314.360 3.135 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c1O ZINC000848559248 631692722 /nfs/dbraw/zinc/69/27/22/631692722.db2.gz QYGAIKDQVFJDFS-MJEQTWJJSA-N 1 0 305.418 3.399 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000848560851 631693026 /nfs/dbraw/zinc/69/30/26/631693026.db2.gz RMRSKXWFGCPHAX-ROUUACIJSA-N 1 0 305.418 3.228 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000848568358 631696387 /nfs/dbraw/zinc/69/63/87/631696387.db2.gz GORKFSLGNMHBTB-XKQJLSEDSA-N 1 0 304.434 3.068 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1O ZINC000848890429 631773267 /nfs/dbraw/zinc/77/32/67/631773267.db2.gz IOFYZGOFOKLKJU-KRWDZBQOSA-N 1 0 314.429 3.474 20 10 DGCDRO CCCOc1ncccc1C[NH2+]Cc1cccc(CC)c1O ZINC000848894913 631776915 /nfs/dbraw/zinc/77/69/15/631776915.db2.gz NUPYJCIAFQRFGM-UHFFFAOYSA-N 1 0 300.402 3.428 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](c2cccs2)N(C)C)c1O ZINC000848898968 631779032 /nfs/dbraw/zinc/77/90/32/631779032.db2.gz BFYGLBVEYFASSA-OAHLLOKOSA-N 1 0 304.459 3.409 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[S@](=O)C(CC)(CC)C2)c1O ZINC000848902237 631779755 /nfs/dbraw/zinc/77/97/55/631779755.db2.gz BFWGOGCMRSOFAO-NRFANRHFSA-N 1 0 309.475 3.078 20 10 DGCDRO CCc1cccc(C[N@H+](CCOC)Cc2scnc2C)c1O ZINC000848907346 631781548 /nfs/dbraw/zinc/78/15/48/631781548.db2.gz MCMDDOKAYSWMQZ-UHFFFAOYSA-N 1 0 320.458 3.368 20 10 DGCDRO CCc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000848907406 631781784 /nfs/dbraw/zinc/78/17/84/631781784.db2.gz CSWWCGBLTNZREC-VCBZYWHSSA-N 1 0 319.445 3.113 20 10 DGCDRO CCCN(Cc1cc(C(=O)OC)oc1C)c1ccc(C[NH3+])cc1 ZINC000848907103 631782082 /nfs/dbraw/zinc/78/20/82/631782082.db2.gz ILYKPDAFKJSWPO-UHFFFAOYSA-N 1 0 316.401 3.250 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1O ZINC000848913630 631785651 /nfs/dbraw/zinc/78/56/51/631785651.db2.gz CTSZUIJNZJHBEK-SFHVURJKSA-N 1 0 301.430 3.346 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O ZINC000848917540 631786448 /nfs/dbraw/zinc/78/64/48/631786448.db2.gz UUZAEGOBPPUOBT-ZWKOTPCHSA-N 1 0 303.446 3.328 20 10 DGCDRO CCc1cccc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c1O ZINC000848919232 631786721 /nfs/dbraw/zinc/78/67/21/631786721.db2.gz IEPOPKXSLXYEPE-FQEVSTJZSA-N 1 0 311.425 3.220 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCCCO1 ZINC000848928015 631791958 /nfs/dbraw/zinc/79/19/58/631791958.db2.gz UETBHCFYEKCMMF-KBPBESRZSA-N 1 0 313.825 3.492 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1O ZINC000848928011 631792466 /nfs/dbraw/zinc/79/24/66/631792466.db2.gz UCLPATMISMCRMO-HOTGVXAUSA-N 1 0 308.853 3.461 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CNCC[C@@H]1c1ccccc1 ZINC000849350366 631900229 /nfs/dbraw/zinc/90/02/29/631900229.db2.gz YBNBYEJZQYBRLN-IAGOWNOFSA-N 1 0 316.832 3.281 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1O ZINC000849349627 631900542 /nfs/dbraw/zinc/90/05/42/631900542.db2.gz DKPQJBSIHMMCTM-QZTJIDSGSA-N 1 0 314.404 3.075 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849349519 631900815 /nfs/dbraw/zinc/90/08/15/631900815.db2.gz BXWCWOJCZJTBBL-CQSZACIVSA-N 1 0 308.853 3.257 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)c1O ZINC000849350329 631901045 /nfs/dbraw/zinc/90/10/45/631901045.db2.gz XXSFSOCVBVSBQY-QZTJIDSGSA-N 1 0 314.404 3.075 20 10 DGCDRO Oc1cccc(Cl)c1CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000849353062 631901667 /nfs/dbraw/zinc/90/16/67/631901667.db2.gz XOWPLSITZGRILT-KRWDZBQOSA-N 1 0 318.804 3.319 20 10 DGCDRO COc1cc(C[NH2+]C[C@H](O)CC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850099641 632056099 /nfs/dbraw/zinc/05/60/99/632056099.db2.gz RJELGGVMEIHREX-CQSZACIVSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+]C[C@@](C)(O)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850133722 632063119 /nfs/dbraw/zinc/06/31/19/632063119.db2.gz KFFDYVVHPBVNMW-GOSISDBHSA-N 1 0 309.450 3.195 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2ccnn2CC2CC2)n1 ZINC000850143070 632065042 /nfs/dbraw/zinc/06/50/42/632065042.db2.gz BUHREHKSRGOICW-UHFFFAOYSA-N 1 0 308.476 3.022 20 10 DGCDRO COc1cc(C[NH2+][C@H](CCO)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850159626 632068304 /nfs/dbraw/zinc/06/83/04/632068304.db2.gz IUUAEPQVIIAWPQ-MRXNPFEDSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+]C[C@@]2(C)CCCO2)c(O)c(C(C)(C)C)c1 ZINC000850182520 632074708 /nfs/dbraw/zinc/07/47/08/632074708.db2.gz IFYPBYNYBDSDGV-GOSISDBHSA-N 1 0 307.434 3.357 20 10 DGCDRO CC[C@@](C)(CCO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850190831 632076216 /nfs/dbraw/zinc/07/62/16/632076216.db2.gz MHYRNYLEIIGFEH-SFHVURJKSA-N 1 0 309.450 3.339 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850224806 632085837 /nfs/dbraw/zinc/08/58/37/632085837.db2.gz HJFSRQKYQBDWCT-HDJSIYSDSA-N 1 0 307.434 3.091 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(C)(C)O ZINC000850311434 632111400 /nfs/dbraw/zinc/11/14/00/632111400.db2.gz VLOFXSFOYABXKO-HNNXBMFYSA-N 1 0 309.450 3.337 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCn3ccnc32)c(O)c(C(C)(C)C)c1 ZINC000850312479 632111661 /nfs/dbraw/zinc/11/16/61/632111661.db2.gz OPHJEGXYZHETDY-HNNXBMFYSA-N 1 0 315.417 3.129 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c(O)c(C(C)(C)C)c1 ZINC000850320493 632112064 /nfs/dbraw/zinc/11/20/64/632112064.db2.gz JXGVGKJBBPHLMJ-OCCSQVGLSA-N 1 0 307.434 3.355 20 10 DGCDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850325108 632113725 /nfs/dbraw/zinc/11/37/25/632113725.db2.gz UPMWQLXFBURWED-CVEARBPZSA-N 1 0 307.434 3.355 20 10 DGCDRO COCC[C@H](C)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850324325 632114181 /nfs/dbraw/zinc/11/41/81/632114181.db2.gz JRQHROBPFRUIBA-ZDUSSCGKSA-N 1 0 309.450 3.461 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccccc3OC)C2)cc1 ZINC000850345669 632120074 /nfs/dbraw/zinc/12/00/74/632120074.db2.gz HLCVKMHZFFFIIM-INIZCTEOSA-N 1 0 312.413 3.072 20 10 DGCDRO COC[C@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)OC ZINC000850345222 632120186 /nfs/dbraw/zinc/12/01/86/632120186.db2.gz OQBVWPMUFAZVLF-SFHVURJKSA-N 1 0 315.413 3.200 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3sccc3C)C2)cc1 ZINC000850345581 632120344 /nfs/dbraw/zinc/12/03/44/632120344.db2.gz FMYNRYJMRRASFE-AWEZNQCLSA-N 1 0 302.443 3.434 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(F)c3F)C2)cc1 ZINC000850347388 632120929 /nfs/dbraw/zinc/12/09/29/632120929.db2.gz RRYNXIDXZRBXIA-AWEZNQCLSA-N 1 0 318.367 3.342 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc4cnccc4o3)C2)cc1 ZINC000850347344 632121047 /nfs/dbraw/zinc/12/10/47/632121047.db2.gz QNVOBZICXXPXIG-OAHLLOKOSA-N 1 0 323.396 3.205 20 10 DGCDRO CCOc1cccc(C[NH2+]CC(C)(C)C(O)(CC)CC)c1O ZINC000850353592 632123033 /nfs/dbraw/zinc/12/30/33/632123033.db2.gz IDBOISSYVMMUOJ-UHFFFAOYSA-N 1 0 309.450 3.458 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1 ZINC000850356329 632123623 /nfs/dbraw/zinc/12/36/23/632123623.db2.gz OMJZXKNEODVQTF-RADWXHQJSA-N 1 0 322.518 3.312 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(OC)c1 ZINC000850361846 632125885 /nfs/dbraw/zinc/12/58/85/632125885.db2.gz FUIGKOYJTPDQTC-SFHVURJKSA-N 1 0 313.397 3.107 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cccc(OC3CC3)c2F)c1O ZINC000850365218 632127080 /nfs/dbraw/zinc/12/70/80/632127080.db2.gz JWICZOIISHSWDI-UHFFFAOYSA-N 1 0 317.360 3.371 20 10 DGCDRO C[C@@H](COc1c(F)cccc1F)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000850366956 632127275 /nfs/dbraw/zinc/12/72/75/632127275.db2.gz SETYXSAGLXETST-LBPRGKRZSA-N 1 0 319.351 3.457 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1C ZINC000850384221 632134799 /nfs/dbraw/zinc/13/47/99/632134799.db2.gz IRTGQBWIJROSIW-MSOLQXFVSA-N 1 0 313.445 3.238 20 10 DGCDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000850383987 632134874 /nfs/dbraw/zinc/13/48/74/632134874.db2.gz GSTCXTMJYPKIAJ-XJKSGUPXSA-N 1 0 319.836 3.280 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1C ZINC000850384866 632135127 /nfs/dbraw/zinc/13/51/27/632135127.db2.gz SFRWYEAGBAEOGG-AEFFLSMTSA-N 1 0 313.445 3.244 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1F ZINC000850386629 632135153 /nfs/dbraw/zinc/13/51/53/632135153.db2.gz KJJDUNBCHIJBGH-QGZVFWFLSA-N 1 0 300.377 3.374 20 10 DGCDRO CCOc1ccc(C[NH2+]CC2(O)CCC(C)(C)CC2)c(O)c1 ZINC000850393477 632137968 /nfs/dbraw/zinc/13/79/68/632137968.db2.gz CQKLRHYFQOZYNT-UHFFFAOYSA-N 1 0 307.434 3.212 20 10 DGCDRO CC([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)(C1CC1)C1CC1 ZINC000850398277 632138641 /nfs/dbraw/zinc/13/86/41/632138641.db2.gz MLVPFQCXFWVEQC-UHFFFAOYSA-N 1 0 318.436 3.331 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c(O)c1 ZINC000850411586 632144377 /nfs/dbraw/zinc/14/43/77/632144377.db2.gz GCBXEDXFDFINGF-AUUYWEPGSA-N 1 0 315.413 3.045 20 10 DGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000850411996 632144481 /nfs/dbraw/zinc/14/44/81/632144481.db2.gz QRBYNSFOMKIVLL-SJKOYZFVSA-N 1 0 305.805 3.300 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c(O)c1 ZINC000850419402 632146904 /nfs/dbraw/zinc/14/69/04/632146904.db2.gz DKNQJEZPTADELT-FZKQIMNGSA-N 1 0 301.386 3.003 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1 ZINC000850420597 632147512 /nfs/dbraw/zinc/14/75/12/632147512.db2.gz PUCRBIPBKPZWFE-ACJLOTCBSA-N 1 0 301.386 3.003 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1O ZINC000850421133 632147777 /nfs/dbraw/zinc/14/77/77/632147777.db2.gz VWLXHRJKXVCUQT-DYVFJYSZSA-N 1 0 301.386 3.003 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCCC23CC3)ccc1N1CCOCC1 ZINC000850425923 632149417 /nfs/dbraw/zinc/14/94/17/632149417.db2.gz XXWYERFGKAYUSL-KRWDZBQOSA-N 1 0 304.409 3.085 20 10 DGCDRO C[C@H]([NH2+]C1CC(CF)(CF)C1)c1ccc(N2CCOCC2)cc1 ZINC000850427946 632149434 /nfs/dbraw/zinc/14/94/34/632149434.db2.gz IBKOTJMAHVVKOO-AWEZNQCLSA-N 1 0 324.415 3.262 20 10 DGCDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000850429512 632149935 /nfs/dbraw/zinc/14/99/35/632149935.db2.gz FXKMEHHDPYNJSZ-CYBMUJFWSA-N 1 0 305.418 3.079 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1F ZINC000850433380 632151703 /nfs/dbraw/zinc/15/17/03/632151703.db2.gz LTPGNYVQFKKPKE-INIZCTEOSA-N 1 0 316.424 3.493 20 10 DGCDRO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000850484146 632166942 /nfs/dbraw/zinc/16/69/42/632166942.db2.gz DBYIRWCMZGZUSG-LBPRGKRZSA-N 1 0 316.376 3.018 20 10 DGCDRO COC[C@@H](CC(C)(C)C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850485646 632167187 /nfs/dbraw/zinc/16/71/87/632167187.db2.gz AIFVCLFJHVQLAZ-JKSUJKDBSA-N 1 0 320.477 3.315 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cnc(C)s3)C2)cc1 ZINC000850487627 632167525 /nfs/dbraw/zinc/16/75/25/632167525.db2.gz IQGMITYWVDROKZ-GXTWGEPZSA-N 1 0 317.458 3.390 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000850486316 632167683 /nfs/dbraw/zinc/16/76/83/632167683.db2.gz AREPDVXMEGKLHN-HNAYVOBHSA-N 1 0 302.462 3.489 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)cc1 ZINC000850486509 632167793 /nfs/dbraw/zinc/16/77/93/632167793.db2.gz IFHIQMORYNPHCY-QAPCUYQASA-N 1 0 324.424 3.257 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000850487112 632167817 /nfs/dbraw/zinc/16/78/17/632167817.db2.gz GBWVDTPEGWESHW-QGZVFWFLSA-N 1 0 308.425 3.031 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)C1CCOCC1 ZINC000850494671 632170842 /nfs/dbraw/zinc/17/08/42/632170842.db2.gz VYEUIFUKOYJGRN-RHSMWYFYSA-N 1 0 307.434 3.101 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cc(Cl)ccc1O ZINC000850498793 632172597 /nfs/dbraw/zinc/17/25/97/632172597.db2.gz DFVCRPKJNSUZPL-XDTLVQLUSA-N 1 0 306.797 3.384 20 10 DGCDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000850502882 632173349 /nfs/dbraw/zinc/17/33/49/632173349.db2.gz SMHMVDLRERVXST-KYHPRHEASA-N 1 0 321.461 3.226 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1O ZINC000850502422 632173571 /nfs/dbraw/zinc/17/35/71/632173571.db2.gz WCHIOVIJVMMJHY-JKSUJKDBSA-N 1 0 310.397 3.021 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(OC)cccc2OC)c1 ZINC000850505787 632174318 /nfs/dbraw/zinc/17/43/18/632174318.db2.gz YCROBANAEPPGHU-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO COc1cccc(OC)c1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000850505071 632174426 /nfs/dbraw/zinc/17/44/26/632174426.db2.gz MAGRGXSEOUYYGL-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000850515348 632176180 /nfs/dbraw/zinc/17/61/80/632176180.db2.gz WVCQRBCFIJDZJX-DLOVCJGASA-N 1 0 314.223 3.373 20 10 DGCDRO CC[C@H]([NH2+]Cc1nccc(OC)c1F)c1ccc(C)cc1O ZINC000850537767 632186073 /nfs/dbraw/zinc/18/60/73/632186073.db2.gz UFGVLYPRVYAKII-ZDUSSCGKSA-N 1 0 304.365 3.484 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O ZINC000850556385 632191876 /nfs/dbraw/zinc/19/18/76/632191876.db2.gz KVKOPSZELDPPGB-NWDGAFQWSA-N 1 0 324.852 3.343 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O ZINC000850557942 632192886 /nfs/dbraw/zinc/19/28/86/632192886.db2.gz ORZLOYSSXWENSJ-GDBMZVCRSA-N 1 0 318.461 3.388 20 10 DGCDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565099 632195645 /nfs/dbraw/zinc/19/56/45/632195645.db2.gz ACJHVXVBYBKRGH-DNVCBOLYSA-N 1 0 302.462 3.316 20 10 DGCDRO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109768917 632316195 /nfs/dbraw/zinc/31/61/95/632316195.db2.gz USULHTCTXKYCNV-UHFFFAOYSA-N 1 0 308.381 3.497 20 10 DGCDRO C[N@H+](CC(=O)NC1CCCCCCC1)Cc1ccccc1O ZINC000109771064 632316711 /nfs/dbraw/zinc/31/67/11/632316711.db2.gz LGVTVAYQISKMKJ-UHFFFAOYSA-N 1 0 304.434 3.053 20 10 DGCDRO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1ccccc1O ZINC000109769920 632316814 /nfs/dbraw/zinc/31/68/14/632316814.db2.gz VPLOLSZHPKPFPL-NSHDSACASA-N 1 0 320.339 3.129 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](OC)[C@@H]2CCOC2)cc1 ZINC000851717016 632474606 /nfs/dbraw/zinc/47/46/06/632474606.db2.gz UKHJWWQRUFHZGV-IEBWSBKVSA-N 1 0 320.477 3.016 20 10 DGCDRO CO[C@@H](C[N@H+](Cc1ccccc1O)C1CCCC1)[C@@H]1CCOC1 ZINC000851771896 632489116 /nfs/dbraw/zinc/48/91/16/632489116.db2.gz RDGHRRDRPPCDLB-APWZRJJASA-N 1 0 319.445 3.188 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](CO)C2CCC2)ccc1N1CCCCC1 ZINC000852321645 632586783 /nfs/dbraw/zinc/58/67/83/632586783.db2.gz YNTJUHFICPKWKJ-SFHVURJKSA-N 1 0 302.462 3.236 20 10 DGCDRO COc1ccc(OCC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000184903729 660194805 /nfs/dbraw/zinc/19/48/05/660194805.db2.gz QGWUVARLIFMOKZ-LBPRGKRZSA-N 1 0 305.349 3.270 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c(O)c1 ZINC000185164443 660205609 /nfs/dbraw/zinc/20/56/09/660205609.db2.gz YFHVFKAGILHVRG-GJZGRUSLSA-N 1 0 310.397 3.157 20 10 DGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cccc(OCC)c1O)C(C)C ZINC000185236477 660211215 /nfs/dbraw/zinc/21/12/15/660211215.db2.gz VCUGASIIIKMFFV-SFHVURJKSA-N 1 0 323.433 3.248 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccco2)c1 ZINC000185836154 660247430 /nfs/dbraw/zinc/24/74/30/660247430.db2.gz MIEZQPCLGDNONR-WQGACYEGSA-N 1 0 305.374 3.157 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccco2)c1 ZINC000185836191 660247498 /nfs/dbraw/zinc/24/74/98/660247498.db2.gz MIEZQPCLGDNONR-BFQNTYOBSA-N 1 0 305.374 3.157 20 10 DGCDRO COC1(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CCOCC1 ZINC000186147026 660270158 /nfs/dbraw/zinc/27/01/58/660270158.db2.gz ZIMNAAYRDNVHLJ-AWEZNQCLSA-N 1 0 319.445 3.117 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(Br)ccc1O ZINC000186280352 660358296 /nfs/dbraw/zinc/35/82/96/660358296.db2.gz WFPQHQSIFIYBKO-OBJOEFQTSA-N 1 0 314.223 3.109 20 10 DGCDRO CC[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998576526 660394416 /nfs/dbraw/zinc/39/44/16/660394416.db2.gz FXHKJDMDPFYGTL-WMLDXEAASA-N 1 0 318.461 3.130 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000705207665 660836924 /nfs/dbraw/zinc/83/69/24/660836924.db2.gz RWZVSFVYCLDQNK-LLVKDONJSA-N 1 0 317.260 3.473 20 10 DGCDRO CCC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)OCC ZINC000705394688 660837281 /nfs/dbraw/zinc/83/72/81/660837281.db2.gz SWFMFKULSAZDDT-ZDUSSCGKSA-N 1 0 316.239 3.450 20 10 DGCDRO CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001035876991 660858871 /nfs/dbraw/zinc/85/88/71/660858871.db2.gz ZAFRLJNEXNYAFP-WBVHZDCISA-N 1 0 318.461 3.130 20 10 DGCDRO CCC[C@H](C[NH2+]Cc1c(O)cccc1Br)OCC ZINC000706808066 660873389 /nfs/dbraw/zinc/87/33/89/660873389.db2.gz OZZXYIJNUIJMKK-LLVKDONJSA-N 1 0 316.239 3.450 20 10 DGCDRO COCCC(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC000706829988 660874233 /nfs/dbraw/zinc/87/42/33/660874233.db2.gz JKNRNIDACRYDFY-UHFFFAOYSA-N 1 0 316.239 3.307 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CC[C@H]1CCCCO1 ZINC000706868376 660875398 /nfs/dbraw/zinc/87/53/98/660875398.db2.gz LHWOWRXRZFIQBC-LLVKDONJSA-N 1 0 314.223 3.204 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1Br)CC1CCOCC1 ZINC000707149122 660893600 /nfs/dbraw/zinc/89/36/00/660893600.db2.gz FVDXIXXTIFFZGA-UHFFFAOYSA-N 1 0 314.223 3.013 20 10 DGCDRO CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001036321606 660895294 /nfs/dbraw/zinc/89/52/94/660895294.db2.gz CTRBYAHGYISEFU-WBVHZDCISA-N 1 0 318.461 3.130 20 10 DGCDRO CC[N@@H+](Cc1c(O)cccc1Br)C[C@@H](C)OC ZINC000707171885 660892541 /nfs/dbraw/zinc/89/25/41/660892541.db2.gz NTKNNTAVLOVIKI-SNVBAGLBSA-N 1 0 302.212 3.012 20 10 DGCDRO CC[C@H]([NH2+]C[C@](C)(O)CC)c1cc(Br)ccc1O ZINC000087011732 660964158 /nfs/dbraw/zinc/96/41/58/660964158.db2.gz KUFFPFOGWGXKSY-GXTWGEPZSA-N 1 0 316.239 3.356 20 10 DGCDRO CC[N@H+](CCOC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792778608 660984065 /nfs/dbraw/zinc/98/40/65/660984065.db2.gz VGKSSMPSTCGQMV-UHFFFAOYSA-N 1 0 304.356 3.240 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)cc1 ZINC000792894114 660992265 /nfs/dbraw/zinc/99/22/65/660992265.db2.gz QLIIRLFNNVDGKX-UHFFFAOYSA-N 1 0 324.403 3.367 20 10 DGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000792920760 660993774 /nfs/dbraw/zinc/99/37/74/660993774.db2.gz BEIPPEOGCYKGRM-FUHWJXTLSA-N 1 0 320.502 3.287 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@@H]1C ZINC000792977619 660998137 /nfs/dbraw/zinc/99/81/37/660998137.db2.gz MMRXBNAEWWNXAE-RVKKMQEKSA-N 1 0 318.461 3.128 20 10 DGCDRO CC[C@@]1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOC1 ZINC000793179053 661010805 /nfs/dbraw/zinc/01/08/05/661010805.db2.gz XSZDHJYTUNHVRD-OAHLLOKOSA-N 1 0 316.367 3.430 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2(CC(=O)OC)CCCC2)cc1 ZINC000793231395 661015340 /nfs/dbraw/zinc/01/53/40/661015340.db2.gz MSIGNGQOMYXZAK-UHFFFAOYSA-N 1 0 318.461 3.498 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC2(OC)CCC(C)CC2)c1 ZINC000793292067 661022060 /nfs/dbraw/zinc/02/20/60/661022060.db2.gz XRDMGSIRCZBTFW-UHFFFAOYSA-N 1 0 307.434 3.476 20 10 DGCDRO COC[C@H](CO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000793324858 661024738 /nfs/dbraw/zinc/02/47/38/661024738.db2.gz NDALEONZSHVRSE-HNNXBMFYSA-N 1 0 323.477 3.084 20 10 DGCDRO CC[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1O ZINC000794789926 661105245 /nfs/dbraw/zinc/10/52/45/661105245.db2.gz BAIYDMKMMUSVFF-SOLBZPMBSA-N 1 0 320.477 3.241 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(C)cc1O ZINC000794804517 661105990 /nfs/dbraw/zinc/10/59/90/661105990.db2.gz NNUGOFXQCSJBMN-HNNXBMFYSA-N 1 0 313.401 3.165 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(C)cc1O ZINC000794804518 661106040 /nfs/dbraw/zinc/10/60/40/661106040.db2.gz NNUGOFXQCSJBMN-OAHLLOKOSA-N 1 0 313.401 3.165 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(C)cc1O ZINC000794815718 661107121 /nfs/dbraw/zinc/10/71/21/661107121.db2.gz LDKMQLQDFWQSMV-DOTOQJQBSA-N 1 0 319.445 3.470 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(N2CCCCC2)cc1 ZINC000187677651 655527088 /nfs/dbraw/zinc/52/70/88/655527088.db2.gz FUBFMVSMGVPDDH-QGTPRVQTSA-N 1 0 302.462 3.487 20 10 DGCDRO CC(=O)c1cc(F)cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000175740487 655541197 /nfs/dbraw/zinc/54/11/97/655541197.db2.gz QWMUTEGPZQTKTF-INIZCTEOSA-N 1 0 322.424 3.040 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(C)ccc2O)c(OC)c1 ZINC000160837442 655684006 /nfs/dbraw/zinc/68/40/06/655684006.db2.gz LRVVHMJWBDZYOX-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000050901701 655685481 /nfs/dbraw/zinc/68/54/81/655685481.db2.gz GASNNCHKVCAWAH-INIZCTEOSA-N 1 0 318.461 3.137 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cncn2C)c1O ZINC000289978363 655691235 /nfs/dbraw/zinc/69/12/35/655691235.db2.gz XUQZXRFHESLYIL-JTQLQIEISA-N 1 0 324.222 3.047 20 10 DGCDRO CNC(=O)C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000795850650 661175962 /nfs/dbraw/zinc/17/59/62/661175962.db2.gz CBANYBKCKMZUKZ-LRDDRELGSA-N 1 0 316.376 3.059 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000798005703 661187267 /nfs/dbraw/zinc/18/72/67/661187267.db2.gz YRGNKTKLZZVZNC-JVPBZIDWSA-N 1 0 300.446 3.362 20 10 DGCDRO C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@@H]1CCOC1 ZINC000176093814 655733947 /nfs/dbraw/zinc/73/39/47/655733947.db2.gz RDDNPKVCDYWHDA-ZDUSSCGKSA-N 1 0 315.413 3.486 20 10 DGCDRO CCOC(=O)C1CC[NH+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC000158111106 655773612 /nfs/dbraw/zinc/77/36/12/655773612.db2.gz DIEZHJUXPYTXPC-UHFFFAOYSA-N 1 0 318.461 3.308 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000840892827 656035002 /nfs/dbraw/zinc/03/50/02/656035002.db2.gz DQVVFVGORCKDJA-HZPDHXFCSA-N 1 0 304.478 3.397 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000840892828 656035231 /nfs/dbraw/zinc/03/52/31/656035231.db2.gz DQVVFVGORCKDJA-JKSUJKDBSA-N 1 0 304.478 3.397 20 10 DGCDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000328182207 656055713 /nfs/dbraw/zinc/05/57/13/656055713.db2.gz NPAOEOSPACUARE-LPHOPBHVSA-N 1 0 302.462 3.318 20 10 DGCDRO CSCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000309837038 656075265 /nfs/dbraw/zinc/07/52/65/656075265.db2.gz BOMLBHMVBIZSCP-VIFPVBQESA-N 1 0 304.253 3.477 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000179617970 656086221 /nfs/dbraw/zinc/08/62/21/656086221.db2.gz SSPAUTVIHZDRAL-UHFFFAOYSA-N 1 0 323.396 3.219 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC)c1 ZINC000182405442 656105419 /nfs/dbraw/zinc/10/54/19/656105419.db2.gz XMAPEOUKQYIUHT-GFCCVEGCSA-N 1 0 312.369 3.132 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000191606161 656171133 /nfs/dbraw/zinc/17/11/33/656171133.db2.gz JDRJLHPNSRDGQT-APWZRJJASA-N 1 0 312.457 3.315 20 10 DGCDRO CC[NH+](CC)CCCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000191811603 656172702 /nfs/dbraw/zinc/17/27/02/656172702.db2.gz APKCXRKKZHXLIM-SFHVURJKSA-N 1 0 320.477 3.105 20 10 DGCDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000162736514 656201656 /nfs/dbraw/zinc/20/16/56/656201656.db2.gz CQNYHCPVFFHWDI-RHSMWYFYSA-N 1 0 308.441 3.484 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CCC(C)(C)C2)c1O ZINC000093339806 656309197 /nfs/dbraw/zinc/30/91/97/656309197.db2.gz JAHJDXIKLSHYPY-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2(N(C)C)CCCC2)cc1 ZINC000317328371 656607675 /nfs/dbraw/zinc/60/76/75/656607675.db2.gz VQOWWZDDHGOYIG-UHFFFAOYSA-N 1 0 303.494 3.497 20 10 DGCDRO C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(F)ccc1O ZINC000317536497 656628853 /nfs/dbraw/zinc/62/88/53/656628853.db2.gz KXOWZZOBFOXUKX-BLLLJJGKSA-N 1 0 305.397 3.493 20 10 DGCDRO CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001044422696 656921265 /nfs/dbraw/zinc/92/12/65/656921265.db2.gz TUSIWMKSYIDVGH-RDJZCZTQSA-N 1 0 318.461 3.273 20 10 DGCDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)C1(C)C ZINC000236866424 656958477 /nfs/dbraw/zinc/95/84/77/656958477.db2.gz WLNICQRQJIHVRJ-HOTGVXAUSA-N 1 0 307.434 3.474 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CC(C)C)cc1C ZINC001044903203 656979548 /nfs/dbraw/zinc/97/95/48/656979548.db2.gz BLBALWFIEFKLKE-KRWDZBQOSA-N 1 0 318.461 3.130 20 10 DGCDRO COC[C@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000249964618 657050218 /nfs/dbraw/zinc/05/02/18/657050218.db2.gz WSQFWLLCDDRWNI-GOEBONIOSA-N 1 0 321.461 3.234 20 10 DGCDRO CC[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000250384746 657468216 /nfs/dbraw/zinc/46/82/16/657468216.db2.gz XJXMFBHPXMXQQO-SNVBAGLBSA-N 1 0 303.233 3.225 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2c(F)cccc2F)cc1C ZINC000304309983 657622106 /nfs/dbraw/zinc/62/21/06/657622106.db2.gz NHUVNRHDROWFNB-INIZCTEOSA-N 1 0 307.340 3.110 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2ccco2)cc1F ZINC000304488595 657636133 /nfs/dbraw/zinc/63/61/33/657636133.db2.gz CJWQCOJRRCPAND-MRXNPFEDSA-N 1 0 306.381 3.088 20 10 DGCDRO COC[C@H]1C[N@H+](Cc2cc(C(C)C)c(C)cc2O)C[C@@H](C)O1 ZINC000253295040 657667420 /nfs/dbraw/zinc/66/74/20/657667420.db2.gz MQJZEDXUZGUWAE-GDBMZVCRSA-N 1 0 307.434 3.060 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC(C)C)C2)cc1C ZINC000987836346 658272987 /nfs/dbraw/zinc/27/29/87/658272987.db2.gz SLSRECVWMCMZSR-NVXWUHKLSA-N 1 0 318.461 3.129 20 10 DGCDRO C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C[NH3+] ZINC000163484188 658451012 /nfs/dbraw/zinc/45/10/12/658451012.db2.gz OMKRMGYFWZUHIF-ONGXEEELSA-N 1 0 303.233 3.116 20 10 DGCDRO Cc1ccc2ncc(C[N@@H+](C)Cc3ccc(N(C)C)cc3)n2c1 ZINC000156472137 658923985 /nfs/dbraw/zinc/92/39/85/658923985.db2.gz YZVAYIJOPXUIGK-UHFFFAOYSA-N 1 0 308.429 3.341 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164483875 658936965 /nfs/dbraw/zinc/93/69/65/658936965.db2.gz RNLYBIHLQPNMAF-LJQANCHMSA-N 1 0 319.445 3.311 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCO[C@@H](C)C3)c2c1 ZINC000172494739 659341285 /nfs/dbraw/zinc/34/12/85/659341285.db2.gz CWMQUCAKARQABY-ZDUSSCGKSA-N 1 0 301.386 3.165 20 10 DGCDRO C[NH2+]CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000063158834 659369612 /nfs/dbraw/zinc/36/96/12/659369612.db2.gz GXUFBBIOTSQVEK-UHFFFAOYSA-N 1 0 303.233 3.130 20 10 DGCDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000237537982 659904663 /nfs/dbraw/zinc/90/46/63/659904663.db2.gz GHTUMSXTVDSBBQ-FUHWJXTLSA-N 1 0 302.462 3.439 20 10 DGCDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000180158122 659953337 /nfs/dbraw/zinc/95/33/37/659953337.db2.gz PTWJIRRUDHMELZ-CYBMUJFWSA-N 1 0 316.474 3.122 20 10 DGCDRO N#Cc1ccccc1CSCC[NH2+]Cc1cc(F)ccc1O ZINC000180405608 659961243 /nfs/dbraw/zinc/96/12/43/659961243.db2.gz HAKBMOWMAZXZKP-UHFFFAOYSA-N 1 0 316.401 3.426 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000180395217 659961575 /nfs/dbraw/zinc/96/15/75/659961575.db2.gz WPVCICPIMYKJKT-INIZCTEOSA-N 1 0 318.392 3.441 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCc3c(cccc3OC)C2)c1O ZINC000180784625 659970588 /nfs/dbraw/zinc/97/05/88/659970588.db2.gz JZEISEYITLSJDA-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c1O ZINC000181014947 659976490 /nfs/dbraw/zinc/97/64/90/659976490.db2.gz GQNZVYGQJQMFFD-INIZCTEOSA-N 1 0 305.418 3.256 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000182417108 660052363 /nfs/dbraw/zinc/05/23/63/660052363.db2.gz FZTWYPWNHCIAJL-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c1O ZINC000183383371 660109615 /nfs/dbraw/zinc/10/96/15/660109615.db2.gz XBIKEKKLYWHTRY-UHFFFAOYSA-N 1 0 310.441 3.409 20 10 DGCDRO C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccccc1O ZINC000183393137 660109963 /nfs/dbraw/zinc/10/99/63/660109963.db2.gz WUQODLYZUXHESC-HNNXBMFYSA-N 1 0 307.397 3.488 20 10 DGCDRO C[C@@H]([NH2+]CCC1(C)OCCO1)c1ccc2ccccc2c1O ZINC000183887413 660145734 /nfs/dbraw/zinc/14/57/34/660145734.db2.gz PVGOVWORCAAMGL-CYBMUJFWSA-N 1 0 301.386 3.349 20 10 DGCDRO OCC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000184501833 660169986 /nfs/dbraw/zinc/16/99/86/660169986.db2.gz UKQGWAKELFSWQI-GOSISDBHSA-N 1 0 314.429 3.483 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)C1CCN(C(C)=O)CC1 ZINC000930350706 661391822 /nfs/dbraw/zinc/39/18/22/661391822.db2.gz JGZHNCBGFFSLOU-UHFFFAOYSA-N 1 0 304.434 3.005 20 10 DGCDRO CC(C)(C)[NH2+]CCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000930934649 661440031 /nfs/dbraw/zinc/44/00/31/661440031.db2.gz MQAAWKHWCMMITK-UHFFFAOYSA-N 1 0 317.477 3.071 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1cncs1 ZINC000155303961 661844995 /nfs/dbraw/zinc/84/49/95/661844995.db2.gz KMENGOQLUMQJMJ-ZIAGYGMSSA-N 1 0 317.458 3.392 20 10 DGCDRO CCO[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000155433491 661846731 /nfs/dbraw/zinc/84/67/31/661846731.db2.gz OKASFALFLDTFSV-CYBMUJFWSA-N 1 0 314.223 3.156 20 10 DGCDRO C[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(N(C)C)cc1 ZINC000155498634 661848082 /nfs/dbraw/zinc/84/80/82/661848082.db2.gz OQTBXFPVIRFGLN-INIZCTEOSA-N 1 0 317.477 3.196 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOCC(F)(F)F)cc1 ZINC000159345048 661885953 /nfs/dbraw/zinc/88/59/53/661885953.db2.gz SGSQKXQTJBNFNG-LBPRGKRZSA-N 1 0 304.356 3.372 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(OC)cc2)c1 ZINC000159868415 661896941 /nfs/dbraw/zinc/89/69/41/661896941.db2.gz CWAUFRHGEWHTNW-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)c1nnnn1C1CC1 ZINC000189146835 661965610 /nfs/dbraw/zinc/96/56/10/661965610.db2.gz OVLFKEPSQDVXGK-VXGBXAGGSA-N 1 0 323.400 3.279 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccccc3F)cc2)CC1 ZINC000076275588 661976597 /nfs/dbraw/zinc/97/65/97/661976597.db2.gz GBGZMMZTNMWRPW-UHFFFAOYSA-N 1 0 314.404 3.077 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccccc3F)C2)cc1 ZINC000076361104 661979371 /nfs/dbraw/zinc/97/93/71/661979371.db2.gz ZFUMIIAZQDZVTD-OAHLLOKOSA-N 1 0 314.404 3.450 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189619786 661984690 /nfs/dbraw/zinc/98/46/90/661984690.db2.gz KSPYNZDSWMAHOJ-UKRRQHHQSA-N 1 0 317.351 3.274 20 10 DGCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)oc1C ZINC000195351855 662186177 /nfs/dbraw/zinc/18/61/77/662186177.db2.gz IBDRIYCAVQKHDI-UHFFFAOYSA-N 1 0 316.401 3.073 20 10 DGCDRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090726638 662272842 /nfs/dbraw/zinc/27/28/42/662272842.db2.gz MXJJVQYMFMZDIS-QWHCGFSZSA-N 1 0 312.454 3.064 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[C@H]1O ZINC000246803483 662282390 /nfs/dbraw/zinc/28/23/90/662282390.db2.gz QUKHJZAQZAGYRO-IEBWSBKVSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1cc2c(c(C[N@H+](C)Cc3ccccc3O)c1)O[C@H](C)C2 ZINC000091956489 662325247 /nfs/dbraw/zinc/32/52/47/662325247.db2.gz BYWVNSAPUAFCMB-CYBMUJFWSA-N 1 0 313.397 3.356 20 10 DGCDRO COc1cccc(C[N@H+](C)CCCOc2ccc(F)cc2)c1O ZINC000091948946 662325305 /nfs/dbraw/zinc/32/53/05/662325305.db2.gz NBLCZJIEAFVBSH-UHFFFAOYSA-N 1 0 319.376 3.441 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000248485414 662349252 /nfs/dbraw/zinc/34/92/52/662349252.db2.gz DXVSQYMMCZUZKR-KKUMJFAQSA-N 1 0 306.450 3.172 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)C2(C(=O)OC)CCCCC2)c1 ZINC000093359800 662353691 /nfs/dbraw/zinc/35/36/91/662353691.db2.gz AKJJVHLWERVJQZ-UHFFFAOYSA-N 1 0 321.417 3.099 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CCCCO)C2CC2)cc1F ZINC000093383128 662353852 /nfs/dbraw/zinc/35/38/52/662353852.db2.gz LIWWRFSKUMZXDA-UHFFFAOYSA-N 1 0 308.441 3.409 20 10 DGCDRO Cc1cc(O)c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1C ZINC000093387706 662354183 /nfs/dbraw/zinc/35/41/83/662354183.db2.gz DUXFGENRJFZPHA-LJQANCHMSA-N 1 0 311.425 3.491 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000093480873 662356124 /nfs/dbraw/zinc/35/61/24/662356124.db2.gz SMPJEMMACPHEDV-CABCVRRESA-N 1 0 306.425 3.140 20 10 DGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000385509955 685173705 /nfs/dbraw/zinc/17/37/05/685173705.db2.gz RJFGOVQKKIIKNN-UHFFFAOYSA-N 1 0 302.462 3.439 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCCCCC2)cc1 ZINC000385924137 685175153 /nfs/dbraw/zinc/17/51/53/685175153.db2.gz YVWDTTKNMDGYDF-UHFFFAOYSA-N 1 0 303.494 3.498 20 10 DGCDRO FC1(F)CCCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000390885387 685207140 /nfs/dbraw/zinc/20/71/40/685207140.db2.gz VUGXSHDFHBSAKS-INIZCTEOSA-N 1 0 324.415 3.438 20 10 DGCDRO C[C@H]1[C@H](NC(=O)Nc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000393845025 685218980 /nfs/dbraw/zinc/21/89/80/685218980.db2.gz CLTXCVYNUUYLAO-KBXCAEBGSA-N 1 0 324.428 3.053 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](c2cnn[nH]2)C(C)(C)C)cc1Cl ZINC001577348052 1191894242 /nfs/dbraw/zinc/89/42/42/1191894242.db2.gz KNLJYUAEVOAQBB-CQSZACIVSA-N 1 0 308.813 3.349 20 10 DGCDRO CCCCN(C(=O)c1cccc2c1CC[NH2+]C2)c1cccnc1 ZINC001577441803 1191902090 /nfs/dbraw/zinc/90/20/90/1191902090.db2.gz GTAPRIZPSGQWFY-UHFFFAOYSA-N 1 0 309.413 3.174 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cc1 ZINC001578425639 1191942293 /nfs/dbraw/zinc/94/22/93/1191942293.db2.gz KHJIHDCAQUKSLO-SFHVURJKSA-N 1 0 301.478 3.236 20 10 DGCDRO C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(N)cc1 ZINC001578489902 1191946483 /nfs/dbraw/zinc/94/64/83/1191946483.db2.gz UMWAQQRHVYAMSS-UHFFFAOYSA-N 1 0 306.413 3.146 20 10 DGCDRO COc1cc(C[NH2+]Cc2ccc(N)cc2)ccc1OC(F)F ZINC001579154131 1191967686 /nfs/dbraw/zinc/96/76/86/1191967686.db2.gz UQSSVQAXSQFIHR-UHFFFAOYSA-N 1 0 308.328 3.169 20 10 DGCDRO CSc1ccc(N(C)C(=O)c2ccccc2CC[NH3+])cc1 ZINC001579388466 1191975296 /nfs/dbraw/zinc/97/52/96/1191975296.db2.gz VZUBBXFAOHZIAV-UHFFFAOYSA-N 1 0 300.427 3.186 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2Cc3ccccc3CN2)c(Cl)c1 ZINC001579638011 1191983811 /nfs/dbraw/zinc/98/38/11/1191983811.db2.gz NKPUWATYCDSLGA-OAHLLOKOSA-N 1 0 316.832 3.158 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC2(O)CCCCCC2)cc1F ZINC001620806179 1192085923 /nfs/dbraw/zinc/08/59/23/1192085923.db2.gz ZWGOQRQDKULBMA-UHFFFAOYSA-N 1 0 312.404 3.206 20 10 DGCDRO Clc1cccnc1OCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001620831931 1192313088 /nfs/dbraw/zinc/31/30/88/1192313088.db2.gz KPOUORXORLECFS-UHFFFAOYSA-N 1 0 318.804 3.229 20 10 DGCDRO Nc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000586047227 1177026999 /nfs/dbraw/zinc/02/69/99/1177026999.db2.gz KYQZCQDBVAZCGW-UHFFFAOYSA-N 1 0 324.428 3.055 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(NC(=O)C3CC3)cc2)c(O)c1 ZINC001331054294 1178123399 /nfs/dbraw/zinc/12/33/99/1178123399.db2.gz XECVKWUOFUSHEG-UHFFFAOYSA-N 1 0 310.397 3.339 20 10 DGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Br)c1ccncc1 ZINC001331272075 1178171161 /nfs/dbraw/zinc/17/11/61/1178171161.db2.gz NNOPJXSWYJOBGS-LLVKDONJSA-N 1 0 321.218 3.443 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC001331382485 1178199619 /nfs/dbraw/zinc/19/96/19/1178199619.db2.gz LAQRSANQEFQPKX-BUWBCJGYSA-N 1 0 311.372 3.387 20 10 DGCDRO CCC(CC)(CCO)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001331498145 1178227381 /nfs/dbraw/zinc/22/73/81/1178227381.db2.gz KVRZANIMNJKZGS-UHFFFAOYSA-N 1 0 314.420 3.309 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC23OCCO3)cc1F ZINC001621020740 1192869787 /nfs/dbraw/zinc/86/97/87/1192869787.db2.gz QOLZEAYJTADRPW-QGZVFWFLSA-N 1 0 322.424 3.057 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cc(N(C)C)ccn1 ZINC001331995156 1178332128 /nfs/dbraw/zinc/33/21/28/1178332128.db2.gz BNRCRKQYIVRKHD-BBRMVZONSA-N 1 0 311.429 3.500 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC001332329133 1178420709 /nfs/dbraw/zinc/42/07/09/1178420709.db2.gz FHRQSNPZNIROAM-SFHVURJKSA-N 1 0 300.446 3.478 20 10 DGCDRO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3c(C)cccc3O)C2)cc1 ZINC001332723569 1178483370 /nfs/dbraw/zinc/48/33/70/1178483370.db2.gz HCZNBSXSQPTIJE-INIZCTEOSA-N 1 0 310.397 3.292 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC001333306566 1178584890 /nfs/dbraw/zinc/58/48/90/1178584890.db2.gz DOVVWOGLXCLMIK-ZIAGYGMSSA-N 1 0 307.434 3.355 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC001333309839 1178586144 /nfs/dbraw/zinc/58/61/44/1178586144.db2.gz AJPFBUOHMYCPMZ-AWEZNQCLSA-N 1 0 303.324 3.162 20 10 DGCDRO OC1(C2(C[NH2+]Cc3ccc(N4CCCC4)cc3)CCC2)CCC1 ZINC001333683936 1178652166 /nfs/dbraw/zinc/65/21/66/1178652166.db2.gz XRCJCBSVYNZNCQ-UHFFFAOYSA-N 1 0 314.473 3.462 20 10 DGCDRO c1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc2nonc12 ZINC001334344005 1178751191 /nfs/dbraw/zinc/75/11/91/1178751191.db2.gz CQONTIWKBYLVQP-UHFFFAOYSA-N 1 0 308.385 3.113 20 10 DGCDRO Nc1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1 ZINC001334753339 1178791163 /nfs/dbraw/zinc/79/11/63/1178791163.db2.gz CWHVPVIXIAYWMA-QGZVFWFLSA-N 1 0 301.821 3.069 20 10 DGCDRO Nc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC001334773883 1178794750 /nfs/dbraw/zinc/79/47/50/1178794750.db2.gz ALDHNKZGFPMODU-UHFFFAOYSA-N 1 0 310.397 3.069 20 10 DGCDRO COC[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)C(C)C ZINC001335566008 1178931818 /nfs/dbraw/zinc/93/18/18/1178931818.db2.gz QDOQHNSBLSCHLL-LBPRGKRZSA-N 1 0 301.814 3.062 20 10 DGCDRO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352645 1179260152 /nfs/dbraw/zinc/26/01/52/1179260152.db2.gz BZTIGDVKMLVCCY-LPHOPBHVSA-N 1 0 301.478 3.059 20 10 DGCDRO CN(C)c1cccnc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001343503773 1179287938 /nfs/dbraw/zinc/28/79/38/1179287938.db2.gz OSHWCTFFKJXKAT-UHFFFAOYSA-N 1 0 310.445 3.038 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)N2CCC[C@@H](C)C2)c(O)c1 ZINC001343914570 1179348775 /nfs/dbraw/zinc/34/87/75/1179348775.db2.gz BLJGNHDPTAJGLS-CJNGLKHVSA-N 1 0 318.461 3.308 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCOC12CCOCC2 ZINC001345124526 1179529747 /nfs/dbraw/zinc/52/97/47/1179529747.db2.gz VKFQCIOVBFCRAP-IJEWVQPXSA-N 1 0 317.429 3.177 20 10 DGCDRO COC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C)C1CCOCC1 ZINC001346869376 1179757973 /nfs/dbraw/zinc/75/79/73/1179757973.db2.gz QYXJJYZIGCBSJN-KBMXLJTQSA-N 1 0 319.445 3.280 20 10 DGCDRO CC[N@H+](CCc1ccccn1)Cc1cc(C)cc(OC)c1O ZINC001350304371 1180048247 /nfs/dbraw/zinc/04/82/47/1180048247.db2.gz HKLIFOOGKRGYDP-UHFFFAOYSA-N 1 0 300.402 3.169 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c(O)c1OC ZINC001351999209 1180276749 /nfs/dbraw/zinc/27/67/49/1180276749.db2.gz WWXQYVHDPNVYJG-KCQAQPDRSA-N 1 0 305.418 3.468 20 10 DGCDRO Nc1ccc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC001352788636 1180399470 /nfs/dbraw/zinc/39/94/70/1180399470.db2.gz FTZFRPKKEGZGME-FQEVSTJZSA-N 1 0 310.441 3.493 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H](OC)C(F)(F)F)cc1C ZINC001200366164 1180577489 /nfs/dbraw/zinc/57/74/89/1180577489.db2.gz SHFCXZXRDLFPAR-CQSZACIVSA-N 1 0 305.340 3.451 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC001356083537 1181138560 /nfs/dbraw/zinc/13/85/60/1181138560.db2.gz RNMOPNQNOYLXJG-QGZVFWFLSA-N 1 0 310.397 3.377 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCN(C)C[C@H]2CC(C)C)cc1 ZINC001473825010 1181581975 /nfs/dbraw/zinc/58/19/75/1181581975.db2.gz YQJQGCKFNPLQBD-LJQANCHMSA-N 1 0 303.494 3.305 20 10 DGCDRO CC(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001439960255 1182023301 /nfs/dbraw/zinc/02/33/01/1182023301.db2.gz LFTAGNYPXGXCMA-CRAIPNDOSA-N 1 0 319.493 3.154 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2cccc(N(C)C)n2)C2CC2)cc1 ZINC001459350017 1182581946 /nfs/dbraw/zinc/58/19/46/1182581946.db2.gz LRQUNFNGWXJKLQ-UHFFFAOYSA-N 1 0 324.472 3.378 20 10 DGCDRO CCN(C)c1ccc(C[NH2+]C2(CC(=O)OC)CCCCC2)cc1 ZINC001459715834 1182608222 /nfs/dbraw/zinc/60/82/22/1182608222.db2.gz GARNFPRMJNRQSX-UHFFFAOYSA-N 1 0 318.461 3.498 20 10 DGCDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001461101582 1182768281 /nfs/dbraw/zinc/76/82/81/1182768281.db2.gz RUKSLCUWIQINKQ-CABCVRRESA-N 1 0 307.457 3.102 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1F ZINC001461232993 1182783571 /nfs/dbraw/zinc/78/35/71/1182783571.db2.gz SYEVTDHLHYONDL-GDBMZVCRSA-N 1 0 308.441 3.313 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[NH2+]CCc2ccncc2)c1 ZINC001461332754 1182796434 /nfs/dbraw/zinc/79/64/34/1182796434.db2.gz NZFRSXZWXVDPQS-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC001461530647 1182824004 /nfs/dbraw/zinc/82/40/04/1182824004.db2.gz SKWRVDMJVLXFKZ-KRWDZBQOSA-N 1 0 312.388 3.449 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1C ZINC001461598553 1182833028 /nfs/dbraw/zinc/83/30/28/1182833028.db2.gz AYSGIJJXBSYJKH-MRXNPFEDSA-N 1 0 318.461 3.273 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc3oc(=O)[nH]c3c2)cc1 ZINC001461735528 1182848144 /nfs/dbraw/zinc/84/81/44/1182848144.db2.gz LUERGXAIGJDNCW-ARJAWSKDSA-N 1 0 323.396 3.402 20 10 DGCDRO COc1cc(CC[NH2+]Cc2c(O)cccc2Cl)cc(OC)c1 ZINC001461832332 1182865825 /nfs/dbraw/zinc/86/58/25/1182865825.db2.gz VWNZLTZVCZZUKH-UHFFFAOYSA-N 1 0 321.804 3.395 20 10 DGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001462251951 1182928559 /nfs/dbraw/zinc/92/85/59/1182928559.db2.gz ANFIAJULEGGNKH-SJORKVTESA-N 1 0 324.415 3.420 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2cc(F)cnc2Cl)c(O)c1 ZINC001462267706 1182931102 /nfs/dbraw/zinc/93/11/02/1182931102.db2.gz CDMJBIYYDXCESS-UHFFFAOYSA-N 1 0 310.756 3.187 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001462457801 1182955072 /nfs/dbraw/zinc/95/50/72/1182955072.db2.gz ANQIBEGOQSTSRJ-MJGOQNOKSA-N 1 0 317.429 3.223 20 10 DGCDRO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001462483175 1182960166 /nfs/dbraw/zinc/96/01/66/1182960166.db2.gz RELXVTTXCCTBMO-KRWDZBQOSA-N 1 0 300.377 3.242 20 10 DGCDRO COC(=O)C(C)(C)C[N@@H+](Cc1cc(F)ccc1O)CC(C)C ZINC001462544407 1182966133 /nfs/dbraw/zinc/96/61/33/1182966133.db2.gz VXEROWOYDUSYFG-UHFFFAOYSA-N 1 0 311.397 3.189 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCO[C@@H](C(C)(C)C)CC2)c(O)c1 ZINC001462670078 1182982948 /nfs/dbraw/zinc/98/29/48/1182982948.db2.gz VGOQFCLRSPZJTI-QGZVFWFLSA-N 1 0 307.434 3.346 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(c3cncn3C)CC2)cc1 ZINC001462666430 1182983460 /nfs/dbraw/zinc/98/34/60/1182983460.db2.gz KMTNCSZBWUPIQR-SNAWJCMRSA-N 1 0 324.472 3.379 20 10 DGCDRO CCOC(=O)C1([N@H+](C)Cc2ccc(N(C)C)cc2)CCCCC1 ZINC001473237715 1183733227 /nfs/dbraw/zinc/73/32/27/1183733227.db2.gz LJVHWPGWPRMNBW-UHFFFAOYSA-N 1 0 318.461 3.450 20 10 DGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC001473557351 1183773423 /nfs/dbraw/zinc/77/34/23/1183773423.db2.gz SYTFGBVSVSSYOI-QUCCMNQESA-N 1 0 310.441 3.463 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CC2(O)CCCCCC2)cc1 ZINC001473610763 1183781259 /nfs/dbraw/zinc/78/12/59/1183781259.db2.gz SZNJSPBVKQSDNV-UHFFFAOYSA-N 1 0 320.477 3.149 20 10 DGCDRO Cc1cc(C[N@H+]2CCN(C)C[C@H]2CC(C)C)ccc1N(C)C ZINC001473824269 1183807400 /nfs/dbraw/zinc/80/74/00/1183807400.db2.gz DURWSGGKUXOTSS-GOSISDBHSA-N 1 0 303.494 3.223 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCOc2cccc(F)c2)cc1F ZINC001473948271 1183836425 /nfs/dbraw/zinc/83/64/25/1183836425.db2.gz DNYZQPGAXOOATE-UHFFFAOYSA-N 1 0 324.346 3.339 20 10 DGCDRO C[C@@H](O)c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC001473956858 1183837662 /nfs/dbraw/zinc/83/76/62/1183837662.db2.gz BGTHFPLPJYWZDW-CYBMUJFWSA-N 1 0 302.393 3.235 20 10 DGCDRO c1cn2cc(C[NH2+]Cc3ccc(N4CCCC4)cc3)nc2s1 ZINC001473962384 1183839178 /nfs/dbraw/zinc/83/91/78/1183839178.db2.gz FREZWIZTUHKOPZ-UHFFFAOYSA-N 1 0 312.442 3.286 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCN(C)CC(F)(F)F)cc1C ZINC001473993947 1183846020 /nfs/dbraw/zinc/84/60/20/1183846020.db2.gz FJUFJVVLSSSBOD-UHFFFAOYSA-N 1 0 318.383 3.368 20 10 DGCDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001474041778 1183856452 /nfs/dbraw/zinc/85/64/52/1183856452.db2.gz YPZSUBLGBBNEFT-HXUWFJFHSA-N 1 0 310.441 3.418 20 10 DGCDRO Cc1ccc(F)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001474100711 1183867464 /nfs/dbraw/zinc/86/74/64/1183867464.db2.gz UIOFSBTZKDNVDB-UHFFFAOYSA-N 1 0 313.420 3.498 20 10 DGCDRO COc1cc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)ccn1 ZINC001474230095 1183887139 /nfs/dbraw/zinc/88/71/39/1183887139.db2.gz JBFLTAIYXHDBQY-PLNGDYQASA-N 1 0 311.429 3.002 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC001474378740 1183911704 /nfs/dbraw/zinc/91/17/04/1183911704.db2.gz GVEYRZGHMLCHQH-YZTRRJNXSA-N 1 0 322.456 3.435 20 10 DGCDRO CC[N@@H+]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@H]1C ZINC001474380315 1183913538 /nfs/dbraw/zinc/91/35/38/1183913538.db2.gz OKQCUQVVPBSQPW-CQSZACIVSA-N 1 0 320.477 3.224 20 10 DGCDRO COC(=O)c1c(C[NH2+]CCC2(C)CC2)c2cc(F)ccc2n1C ZINC001474494238 1183930914 /nfs/dbraw/zinc/93/09/14/1183930914.db2.gz PACDZGQHJSYDJN-UHFFFAOYSA-N 1 0 318.392 3.384 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H]2COc3c(C)cccc3C2)c(O)c1 ZINC001474560083 1183941398 /nfs/dbraw/zinc/94/13/98/1183941398.db2.gz FZQXLPKUJHCXDD-OAHLLOKOSA-N 1 0 313.397 3.111 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1O ZINC001474569134 1183942358 /nfs/dbraw/zinc/94/23/58/1183942358.db2.gz PAFGHJBZQAEHDY-SFHVURJKSA-N 1 0 321.461 3.376 20 10 DGCDRO CCc1cccc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC001474571128 1183942622 /nfs/dbraw/zinc/94/26/22/1183942622.db2.gz LIJXKLIHJZYDGK-ZDUSSCGKSA-N 1 0 307.434 3.364 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(C)cc1O ZINC001609194789 1193329654 /nfs/dbraw/zinc/32/96/54/1193329654.db2.gz NXRWMIWIRKHVKF-INIZCTEOSA-N 1 0 323.400 3.122 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001545505092 1188432488 /nfs/dbraw/zinc/43/24/88/1188432488.db2.gz TZLPSBKNJDLCMT-WBVHZDCISA-N 1 0 318.461 3.251 20 10 DGCDRO CCCCCC[N@H+](C)CC(=O)NCc1cccc(Cl)c1O ZINC001558757237 1189146397 /nfs/dbraw/zinc/14/63/97/1189146397.db2.gz WFJRCCYZTWMLMP-UHFFFAOYSA-N 1 0 312.841 3.174 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1)c1ccccc1O ZINC001560075245 1189274899 /nfs/dbraw/zinc/27/48/99/1189274899.db2.gz YMLOSTBHMFZZKY-LBPRGKRZSA-N 1 0 302.349 3.211 20 10 DGCDRO CC[C@@H]1C[C@H](C[NH2+]CCCSc2nccs2)CCO1 ZINC001560348132 1189315180 /nfs/dbraw/zinc/31/51/80/1189315180.db2.gz MRVXYWZJCCXJGE-CHWSQXEVSA-N 1 0 300.493 3.420 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)cc1Cn1cccn1 ZINC001560459991 1189330497 /nfs/dbraw/zinc/33/04/97/1189330497.db2.gz DIHRLWBRCMAHJW-HZPDHXFCSA-N 1 0 313.445 3.466 20 10 DGCDRO Fc1cc(C[NH2+]CC2CCC=CCC2)ccc1N1CCOCC1 ZINC001560598623 1189346676 /nfs/dbraw/zinc/34/66/76/1189346676.db2.gz HKZOGFYFAHBWHG-UHFFFAOYSA-N 1 0 318.436 3.498 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)C2=CCOCC2)cc1F ZINC001560621136 1189350189 /nfs/dbraw/zinc/35/01/89/1189350189.db2.gz UVWLNSIFMDODMN-UHFFFAOYSA-N 1 0 324.415 3.493 20 10 DGCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560648135 1189355315 /nfs/dbraw/zinc/35/53/15/1189355315.db2.gz KFLIXQANSUSJCT-LBPRGKRZSA-N 1 0 305.809 3.159 20 10 DGCDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2O)C1 ZINC001560679236 1189359021 /nfs/dbraw/zinc/35/90/21/1189359021.db2.gz GYLQPKSCKBTJSQ-NVXWUHKLSA-N 1 0 318.461 3.217 20 10 DGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560685808 1189360973 /nfs/dbraw/zinc/36/09/73/1189360973.db2.gz ICVVGIKQQSPDSL-ZDUSSCGKSA-N 1 0 324.852 3.174 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC001560768750 1189378664 /nfs/dbraw/zinc/37/86/64/1189378664.db2.gz JLWMTLZDMTYIEK-UHFFFAOYSA-N 1 0 313.850 3.144 20 10 DGCDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC001560818297 1189387367 /nfs/dbraw/zinc/38/73/67/1189387367.db2.gz HPSWZYKNSIKCHB-INIZCTEOSA-N 1 0 320.433 3.143 20 10 DGCDRO C[N@H+](Cc1ccc(Cl)cc1O)C[C@]1(O)CCc2ccccc21 ZINC001560899190 1189402408 /nfs/dbraw/zinc/40/24/08/1189402408.db2.gz KZHPIFRJFGDNJB-GOSISDBHSA-N 1 0 317.816 3.311 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(C)nc(C)c2)cc1 ZINC001560917668 1189405901 /nfs/dbraw/zinc/40/59/01/1189405901.db2.gz VRYNEWOHUMACEG-UHFFFAOYSA-N 1 0 313.445 3.275 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001561004717 1189419297 /nfs/dbraw/zinc/41/92/97/1189419297.db2.gz TVGVLFHVZISORR-CMPLNLGQSA-N 1 0 309.715 3.245 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@@]2(C)CCCS2)N(C)C)cc1 ZINC001561040006 1189424664 /nfs/dbraw/zinc/42/46/64/1189424664.db2.gz IKHGTYRLHFZVNE-QZTJIDSGSA-N 1 0 321.534 3.231 20 10 DGCDRO CCC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567228103 1190081343 /nfs/dbraw/zinc/08/13/43/1190081343.db2.gz PASLLYRRUWLEJO-OAHLLOKOSA-N 1 0 320.477 3.424 20 10 DGCDRO CCC[C@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001568263245 1190466338 /nfs/dbraw/zinc/46/63/38/1190466338.db2.gz VNUFFXZUHIQQCI-HOCLYGCPSA-N 1 0 320.477 3.376 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2CCCC2)cc1C ZINC001571375528 1191006198 /nfs/dbraw/zinc/00/61/98/1191006198.db2.gz XSSOHLPYSQNEAY-OAHLLOKOSA-N 1 0 318.461 3.130 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](c3cn[nH]n3)C2)c1 ZINC001575455618 1191483142 /nfs/dbraw/zinc/48/31/42/1191483142.db2.gz ZOJGIJAQHDOXOD-CQSZACIVSA-N 1 0 300.406 3.013 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2COc3c(F)cc(F)cc3C2)cc1C ZINC001621101765 1193759567 /nfs/dbraw/zinc/75/95/67/1193759567.db2.gz LXTSRTJOOUPVRT-HNNXBMFYSA-N 1 0 319.351 3.375 20 10 DGCDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001620717793 1193794795 /nfs/dbraw/zinc/79/47/95/1193794795.db2.gz VVNXXAOIYGRFFV-AWEZNQCLSA-N 1 0 310.445 3.418 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H](O)Cc2ccccc2)cc1Cl ZINC001621363147 1193833422 /nfs/dbraw/zinc/83/34/22/1193833422.db2.gz BILNGPMFEWXXJB-MRXNPFEDSA-N 1 0 319.832 3.389 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc(F)c1N1CCOCC1 ZINC001621382017 1193835513 /nfs/dbraw/zinc/83/55/13/1193835513.db2.gz ARBVGDKXIAOAKZ-GRDNDAEWSA-N 1 0 322.399 3.080 20 10 DGCDRO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1O ZINC001621399756 1193837337 /nfs/dbraw/zinc/83/73/37/1193837337.db2.gz OWXUNHSKEKHGET-CHWSQXEVSA-N 1 0 323.408 3.474 20 10 DGCDRO COC(=O)/C=C/c1ccc(C[NH2+][C@@H](C)c2ccccc2O)o1 ZINC001621481981 1193848721 /nfs/dbraw/zinc/84/87/21/1193848721.db2.gz GRRJMBRWORUZJH-VMPCVLLUSA-N 1 0 301.342 3.022 20 10 DGCDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1ccc(Cl)cc1O ZINC001621531227 1193855421 /nfs/dbraw/zinc/85/54/21/1193855421.db2.gz ZIZZROIBRZDUEJ-UHFFFAOYSA-N 1 0 305.805 3.445 20 10 DGCDRO C[N@@H+]1C[C@@]23CN(Cc4ccc(Cl)cc4O)C[C@]2(C1)CCCC3 ZINC001621571470 1193860093 /nfs/dbraw/zinc/86/00/93/1193860093.db2.gz WIPCXNREOJPPCM-HDICACEKSA-N 1 0 320.864 3.353 20 10 DGCDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001633315528 1194431216 /nfs/dbraw/zinc/43/12/16/1194431216.db2.gz RYILQBXTYFQXGA-YJBOKZPZSA-N 1 0 317.477 3.050 20 10 DGCDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCOc2cc(N(C)C)ccc21 ZINC001645147948 1195161974 /nfs/dbraw/zinc/16/19/74/1195161974.db2.gz NWRFRBGBSXOIGY-KRWDZBQOSA-N 1 0 317.477 3.214 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CC(Cc2c(F)cccc2F)C1 ZINC001647050555 1195244210 /nfs/dbraw/zinc/24/42/10/1195244210.db2.gz NTLQPGCJQQCQHF-UHFFFAOYSA-N 1 0 307.315 3.484 20 10 DGCDRO Cc1cc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)ccc1N1CCCCC1 ZINC001647806504 1195254485 /nfs/dbraw/zinc/25/44/85/1195254485.db2.gz IFPJHZUGZKIGJK-YLJYHZDGSA-N 1 0 316.489 3.436 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCOCC(F)(F)F)cc1F ZINC001648747216 1195327745 /nfs/dbraw/zinc/32/77/45/1195327745.db2.gz FWDNXJLVVRLNNA-UHFFFAOYSA-N 1 0 322.346 3.340 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Oc1ccccc1F ZINC001650579509 1195364115 /nfs/dbraw/zinc/36/41/15/1195364115.db2.gz SFLWLBXHUHRTBA-ZDUSSCGKSA-N 1 0 301.361 3.318 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H](O)Cc1ccccc1 ZINC001650806863 1195383812 /nfs/dbraw/zinc/38/38/12/1195383812.db2.gz AQHIWOWUFSPNLE-UWJYYQICSA-N 1 0 324.468 3.369 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](CO)CC2CCCC2)ccc1OC ZINC001651003213 1195402275 /nfs/dbraw/zinc/40/22/75/1195402275.db2.gz AOTSLEKSNSBYNS-SFHVURJKSA-N 1 0 321.461 3.263 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H](C)O ZINC001651073324 1195410112 /nfs/dbraw/zinc/41/01/12/1195410112.db2.gz GMRCJKKDFHOEDD-JXFKEZNVSA-N 1 0 324.468 3.498 20 10 DGCDRO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001651325893 1195444282 /nfs/dbraw/zinc/44/42/82/1195444282.db2.gz WSHYLPKMWDQGHN-MRXNPFEDSA-N 1 0 302.462 3.222 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3cc(C)ccn3)CC2)cc1 ZINC001651494288 1195470714 /nfs/dbraw/zinc/47/07/14/1195470714.db2.gz HBEACABBBBKEAE-UHFFFAOYSA-N 1 0 311.429 3.157 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@@]3(C)CCCCO3)CC2)cc1 ZINC001651794439 1195510136 /nfs/dbraw/zinc/51/01/36/1195510136.db2.gz ORLSHEIENZHIJG-LJQANCHMSA-N 1 0 318.461 3.167 20 10 DGCDRO CCCc1nc(C)c(C[NH2+]Cc2c(C)cc(OC)cc2O)o1 ZINC001652591728 1195622979 /nfs/dbraw/zinc/62/29/79/1195622979.db2.gz WIANGKMRTJNQLU-UHFFFAOYSA-N 1 0 304.390 3.248 20 10 DGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001653222424 1195700469 /nfs/dbraw/zinc/70/04/69/1195700469.db2.gz TXWKUEWBNASIMN-IPMKNSEASA-N 1 0 303.494 3.380 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCC(C)(C)O2)cc1 ZINC001654113891 1195776269 /nfs/dbraw/zinc/77/62/69/1195776269.db2.gz BORYRPAMTUGOTH-QGZVFWFLSA-N 1 0 306.450 3.021 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C2CC(OC(C)C)C2)cc1 ZINC001654948218 1195857995 /nfs/dbraw/zinc/85/79/95/1195857995.db2.gz ZYFMOHXINCXZHN-UHFFFAOYSA-N 1 0 306.450 3.019 20 10 DGCDRO C[C@@H](CN1CCCCC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001655259508 1195896068 /nfs/dbraw/zinc/89/60/68/1195896068.db2.gz LNOMCKMSVFUHOJ-OZSKJFCKSA-N 1 0 301.478 3.230 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC(C)(C)C)cc1 ZINC001655658429 1195946402 /nfs/dbraw/zinc/94/64/02/1195946402.db2.gz CNAZMVMSDPQFTN-QGZVFWFLSA-N 1 0 317.477 3.022 20 10 DGCDRO C[NH+](C)CC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC1 ZINC001656063684 1195994028 /nfs/dbraw/zinc/99/40/28/1195994028.db2.gz KLNTXWSLBUJAEF-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCOc2cccc(F)c2)cc1F ZINC001656143845 1196010272 /nfs/dbraw/zinc/01/02/72/1196010272.db2.gz UUUNVYXAPYKUMA-UHFFFAOYSA-N 1 0 306.356 3.199 20 10 DGCDRO C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCCCC1 ZINC001656155873 1196011189 /nfs/dbraw/zinc/01/11/89/1196011189.db2.gz ZNOGZEOHGORRIZ-IWAYRVGRSA-N 1 0 301.478 3.230 20 10 DGCDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001656270195 1196025653 /nfs/dbraw/zinc/02/56/53/1196025653.db2.gz QZFDURHGTJACBD-AWEZNQCLSA-N 1 0 310.397 3.128 20 10 DGCDRO c1nc([C@@H]2CCCO2)sc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001656270067 1196025764 /nfs/dbraw/zinc/02/57/64/1196025764.db2.gz OLEXDLAQFYUSNU-INIZCTEOSA-N 1 0 316.426 3.219 20 10 DGCDRO CC(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC001656527366 1196047218 /nfs/dbraw/zinc/04/72/18/1196047218.db2.gz LOEKKEGEUMVRLF-MRXNPFEDSA-N 1 0 319.445 3.325 20 10 DGCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001656750114 1196068004 /nfs/dbraw/zinc/06/80/04/1196068004.db2.gz QULPYMKFYAZALE-DOTOQJQBSA-N 1 0 319.468 3.246 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3c(c2)nnn3C)cc1 ZINC001656820064 1196073488 /nfs/dbraw/zinc/07/34/88/1196073488.db2.gz LMIAINGDYWDCHO-UHFFFAOYSA-N 1 0 323.444 3.104 20 10 DGCDRO COc1ccc(COCC[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001657048903 1196096690 /nfs/dbraw/zinc/09/66/90/1196096690.db2.gz YKPGZGJNJODFKS-UHFFFAOYSA-N 1 0 315.413 3.319 20 10 DGCDRO COc1nc(C)cc(C)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001657076812 1196101788 /nfs/dbraw/zinc/10/17/88/1196101788.db2.gz MJMKABBMOCOZQS-UHFFFAOYSA-N 1 0 317.408 3.202 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]([S@](C)=O)C2)cc1C ZINC001657085241 1196103256 /nfs/dbraw/zinc/10/32/56/1196103256.db2.gz JMQWWYACHHWWSU-ZOCZFRKYSA-N 1 0 309.475 3.173 20 10 DGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657731785 1196172855 /nfs/dbraw/zinc/17/28/55/1196172855.db2.gz SDJIHBSQQYFXKG-KXBFYZLASA-N 1 0 311.425 3.266 20 10 DGCDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccc(Cl)cc1O ZINC001658010058 1196201495 /nfs/dbraw/zinc/20/14/95/1196201495.db2.gz FVWWYTSJJTYJOU-UHFFFAOYSA-N 1 0 308.809 3.202 20 10 DGCDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001658315442 1196240636 /nfs/dbraw/zinc/24/06/36/1196240636.db2.gz PMHJILPKWPOJNO-CABCVRRESA-N 1 0 316.367 3.429 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1O ZINC001658399397 1196251317 /nfs/dbraw/zinc/25/13/17/1196251317.db2.gz SUAVGMFPWRZCGP-AEFFLSMTSA-N 1 0 301.361 3.436 20 10 DGCDRO CCCC[N@H+](CC[S@](=O)C(F)(F)F)Cc1ccccc1O ZINC001658434186 1196256005 /nfs/dbraw/zinc/25/60/05/1196256005.db2.gz UCODXEAXRBBDGA-NRFANRHFSA-N 1 0 323.380 3.263 20 10 DGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC001658680837 1196287764 /nfs/dbraw/zinc/28/77/64/1196287764.db2.gz JDEYWBYFUAHJGJ-UHFFFAOYSA-N 1 0 306.425 3.188 20 10 DGCDRO CCCN(CC[NH+](CC)CC)Cc1cc(C)cc(OC)c1O ZINC001658770860 1196298734 /nfs/dbraw/zinc/29/87/34/1196298734.db2.gz XPINWLZCYQTSOK-UHFFFAOYSA-N 1 0 308.466 3.263 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)c1 ZINC001658788558 1196301842 /nfs/dbraw/zinc/30/18/42/1196301842.db2.gz RDYJHCZPBSQPHQ-GOSISDBHSA-N 1 0 323.396 3.128 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2cc(F)ccc2OC)c1O ZINC001658904859 1196318181 /nfs/dbraw/zinc/31/81/81/1196318181.db2.gz ZHZIFQLQRUUATI-UHFFFAOYSA-N 1 0 303.377 3.435 20 10 DGCDRO COc1ccc(C[N@@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c(O)c1OC ZINC001658994290 1196329097 /nfs/dbraw/zinc/32/90/97/1196329097.db2.gz QWOUNIFQVLWZOM-OUFKLWKOSA-N 1 0 315.413 3.053 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCOCC12CCCC2 ZINC001659110549 1196346011 /nfs/dbraw/zinc/34/60/11/1196346011.db2.gz ADIVXKYDCCQBPD-SFHVURJKSA-N 1 0 302.462 3.500 20 10 DGCDRO COC(=O)CC[N@@H+](Cc1c(O)cc(C)cc1Cl)CC(C)C ZINC001659160948 1196354094 /nfs/dbraw/zinc/35/40/94/1196354094.db2.gz WNJHFIMNGFPCRL-UHFFFAOYSA-N 1 0 313.825 3.375 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC001659498065 1196388772 /nfs/dbraw/zinc/38/87/72/1196388772.db2.gz RRDHYCVULICBBW-CYBMUJFWSA-N 1 0 306.450 3.251 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCc2ccc(F)cc2)cc1 ZINC001659590738 1196398340 /nfs/dbraw/zinc/39/83/40/1196398340.db2.gz MMHAQTQFDASHSU-UHFFFAOYSA-N 1 0 316.420 3.445 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1 ZINC001660017103 1196437747 /nfs/dbraw/zinc/43/77/47/1196437747.db2.gz AIXFOLRGRIQFME-SFHVURJKSA-N 1 0 317.404 3.348 20 10 DGCDRO CCc1cccc(NC(=O)C[NH2+]Cc2ccc(Cl)cc2O)c1 ZINC001660081463 1196443237 /nfs/dbraw/zinc/44/32/37/1196443237.db2.gz ZEQXQMIOCOEZRL-UHFFFAOYSA-N 1 0 318.804 3.336 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC001660509294 1196492854 /nfs/dbraw/zinc/49/28/54/1196492854.db2.gz NYLXNSBMILYKEF-GASCZTMLSA-N 1 0 305.418 3.165 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)cc1OC ZINC001660800297 1196526691 /nfs/dbraw/zinc/52/66/91/1196526691.db2.gz JXVMCQKWFCJPDI-OUFKLWKOSA-N 1 0 317.429 3.277 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H](C)Cn2cccn2)cc1C ZINC001661047232 1196558835 /nfs/dbraw/zinc/55/88/35/1196558835.db2.gz UBVANDJNXINQLC-OAHLLOKOSA-N 1 0 301.434 3.406 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)c1ccccc1F ZINC001661595620 1196623081 /nfs/dbraw/zinc/62/30/81/1196623081.db2.gz WDFQVSDAMJOEJO-MJGOQNOKSA-N 1 0 315.388 3.362 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC001661975567 1196667514 /nfs/dbraw/zinc/66/75/14/1196667514.db2.gz PZPMCYHSDPOSPL-NRFANRHFSA-N 1 0 320.436 3.410 20 10 DGCDRO CN(C)c1cc[nH+]c(NCc2c(O)cccc2Br)c1 ZINC001662040215 1196677299 /nfs/dbraw/zinc/67/72/99/1196677299.db2.gz ZYVNGFYEXKSDKE-UHFFFAOYSA-N 1 0 322.206 3.228 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOCC23CCCC3)cc1F ZINC001663478528 1196881921 /nfs/dbraw/zinc/88/19/21/1196881921.db2.gz DZIIXCNAWSFXBZ-QGZVFWFLSA-N 1 0 306.425 3.331 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)[C@H](C)C(=O)OCC)cc1C ZINC001664213705 1196980739 /nfs/dbraw/zinc/98/07/39/1196980739.db2.gz UBLBCNIOZZPYGS-GJZGRUSLSA-N 1 0 307.434 3.461 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC001664441108 1196999753 /nfs/dbraw/zinc/99/97/53/1196999753.db2.gz VVUAUSNFRJRKBE-QDMKHBRRSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H](C)C(C)C)cc1C ZINC001669069327 1197439482 /nfs/dbraw/zinc/43/94/82/1197439482.db2.gz GGMGTJQVRHCYRD-MWWKQMNYSA-N 1 0 318.461 3.058 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccc(C(N)=O)c1 ZINC000390293175 1197712838 /nfs/dbraw/zinc/71/28/38/1197712838.db2.gz IMFLVYZADIMMAV-DOMZBBRYSA-N 1 0 310.397 3.138 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H](CO)Cc1ccccc1 ZINC000391549290 1197715205 /nfs/dbraw/zinc/71/52/05/1197715205.db2.gz RZZMOPOJTCGOSW-UAGQMJEPSA-N 1 0 311.425 3.442 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C=C(C)C)cc1C ZINC001675847880 1198156877 /nfs/dbraw/zinc/15/68/77/1198156877.db2.gz PGVSCKRAFUUWLG-INIZCTEOSA-N 1 0 318.461 3.344 20 10 DGCDRO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(N(C)C)cc1 ZINC000316058889 1199812303 /nfs/dbraw/zinc/81/23/03/1199812303.db2.gz YFAGQXNMNVMZKP-NMACRGETSA-N 1 0 301.478 3.419 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)C(C)C)cc1C ZINC001754007463 1200070622 /nfs/dbraw/zinc/07/06/22/1200070622.db2.gz MYBUVYWZLVIRII-HZPDHXFCSA-N 1 0 320.477 3.280 20 10 DGCDRO CC/C=C(\C)C(=O)N(CC)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001754036632 1200080838 /nfs/dbraw/zinc/08/08/38/1200080838.db2.gz XTINLPQWXSRCJI-OVCLIPMQSA-N 1 0 318.461 3.298 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)C2CC2)cc1C ZINC001754296759 1200179588 /nfs/dbraw/zinc/17/95/88/1200179588.db2.gz YOUWEHOGOOOVEO-HIFRSBDPSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C(C)C)cc1C ZINC001755606524 1200984454 /nfs/dbraw/zinc/98/44/54/1200984454.db2.gz LGCDCHNQAJZFMU-JKSUJKDBSA-N 1 0 320.477 3.232 20 10 DGCDRO CC[C@@H](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001752627527 1201880399 /nfs/dbraw/zinc/88/03/99/1201880399.db2.gz JSTGPLVIRIPAHZ-KBRIMQKVSA-N 1 0 318.461 3.177 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCNC(=O)OC(C)(C)C ZINC000230660217 1202598600 /nfs/dbraw/zinc/59/86/00/1202598600.db2.gz LKXOVHJNZNNSKR-OLZOCXBDSA-N 1 0 320.433 3.363 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1Cc1ccccc1 ZINC000237697131 1202689980 /nfs/dbraw/zinc/68/99/80/1202689980.db2.gz NDHZPSXQJVBARO-OXJNMPFZSA-N 1 0 322.452 3.374 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001714247026 1202846993 /nfs/dbraw/zinc/84/69/93/1202846993.db2.gz OIMHKJMVDZXCLP-CABCVRRESA-N 1 0 318.461 3.034 20 10 DGCDRO CC/C(C)=C/C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715055377 1203257454 /nfs/dbraw/zinc/25/74/54/1203257454.db2.gz GNZZULAUCGTKBO-IDKBZEPQSA-N 1 0 318.461 3.344 20 10 DGCDRO CC/C(C)=C/C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715336299 1203318489 /nfs/dbraw/zinc/31/84/89/1203318489.db2.gz SAXWYZRIYYVAMO-HFQYIWAZSA-N 1 0 318.461 3.296 20 10 DGCDRO CC/C(C)=C\C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716291167 1203457500 /nfs/dbraw/zinc/45/75/00/1203457500.db2.gz LBIHXQIDHVPDQY-JMGLOCJTSA-N 1 0 316.445 3.122 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001725398445 1204145299 /nfs/dbraw/zinc/14/52/99/1204145299.db2.gz NMPWIFPNWZLOSF-UKPHBRMFSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(C)CCC2)cc1C ZINC001725506129 1204160946 /nfs/dbraw/zinc/16/09/46/1204160946.db2.gz PXWSMKXZNVFVBO-OAHLLOKOSA-N 1 0 318.461 3.130 20 10 DGCDRO CC/C=C(/C)C(=O)N(C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001733090754 1205022415 /nfs/dbraw/zinc/02/24/15/1205022415.db2.gz YQMKREQRIBJROM-NVNXTCNLSA-N 1 0 318.461 3.298 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC(C)(C)C)cc1C ZINC001733961585 1205272126 /nfs/dbraw/zinc/27/21/26/1205272126.db2.gz CWZKOHZVFRBKRM-GJZGRUSLSA-N 1 0 320.477 3.423 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593208879 994231546 /nfs/dbraw/zinc/23/15/46/994231546.db2.gz KIJWOKUZQQQXBR-WBMJQRKESA-N 1 0 322.449 3.107 20 10 DGCDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2c(c1)CC(=O)N2C ZINC001169699296 1081633333 /nfs/dbraw/zinc/63/33/33/1081633333.db2.gz WYDPBMVNSCQBTB-QGZVFWFLSA-N 1 0 321.424 3.446 20 10 DGCDRO COC[C@@H](C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)C(C)C ZINC001167107621 1081705328 /nfs/dbraw/zinc/70/53/28/1081705328.db2.gz FKIRRCALEZYLLT-QGZVFWFLSA-N 1 0 320.477 3.126 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccccn1 ZINC000691440195 1081714503 /nfs/dbraw/zinc/71/45/03/1081714503.db2.gz NRBAOXYKJRRWPW-LLVKDONJSA-N 1 0 321.218 3.443 20 10 DGCDRO CC[C@@H](CSC)[NH2+]Cc1ccc(Br)cc1O ZINC000691468517 1081857849 /nfs/dbraw/zinc/85/78/49/1081857849.db2.gz USAAEZXVKYXSCI-NSHDSACASA-N 1 0 304.253 3.386 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]CC1CC(F)(F)C1 ZINC000691475602 1081862410 /nfs/dbraw/zinc/86/24/10/1081862410.db2.gz BUOMXJIIDDZIRR-UHFFFAOYSA-N 1 0 306.150 3.290 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cccc4c3COC4)cc2)CC1 ZINC001167437396 1082122499 /nfs/dbraw/zinc/12/24/99/1082122499.db2.gz UNXYNRKFCQTQNA-UHFFFAOYSA-N 1 0 323.440 3.081 20 10 DGCDRO CC/C=C(/C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266669876 1082129848 /nfs/dbraw/zinc/12/98/48/1082129848.db2.gz MCPMWMRPCAZLRG-GPVDNBNFSA-N 1 0 316.445 3.097 20 10 DGCDRO COCCOc1ccc(N2CC[NH+]([C@H]3CC[C@H](C)C3)CC2)cc1 ZINC001170157618 1082264290 /nfs/dbraw/zinc/26/42/90/1082264290.db2.gz LAVDHMGFGBHBDZ-WMZOPIPTSA-N 1 0 318.461 3.022 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CCO[C@@H](CC)C3)CC2)cc1 ZINC001170241444 1082325813 /nfs/dbraw/zinc/32/58/13/1082325813.db2.gz WTMRYHSEFZUAQT-MSOLQXFVSA-N 1 0 318.461 3.165 20 10 DGCDRO C[C@H](Cc1ccccc1Cl)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001170248034 1082333799 /nfs/dbraw/zinc/33/37/99/1082333799.db2.gz LULJAJNNWMEWGD-DIFFPNOSSA-N 1 0 321.804 3.005 20 10 DGCDRO COC(=O)[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001170553143 1082660751 /nfs/dbraw/zinc/66/07/51/1082660751.db2.gz GTGKDWNMIVDJFZ-AEFFLSMTSA-N 1 0 316.445 3.060 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[C@@H]2C)cc1C ZINC001133058316 1083037443 /nfs/dbraw/zinc/03/74/43/1083037443.db2.gz WNCLVRSSLNKRFD-WMLDXEAASA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@@H](C)C2)cc1C ZINC001133077257 1083046206 /nfs/dbraw/zinc/04/62/06/1083046206.db2.gz SGKNSQUMFFUXBA-RHSMWYFYSA-N 1 0 318.461 3.036 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC(=O)C(C)(C)C2)c(O)c1 ZINC001140856201 1083133648 /nfs/dbraw/zinc/13/36/48/1083133648.db2.gz SZTKIGNDTZGQCN-UHFFFAOYSA-N 1 0 304.434 3.039 20 10 DGCDRO C[C@@H]1CC([NH2+]Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000694769620 1083135060 /nfs/dbraw/zinc/13/50/60/1083135060.db2.gz GUKAYSYVDHGHSO-NXEZZACHSA-N 1 0 314.223 3.200 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1O ZINC001181125074 1083413272 /nfs/dbraw/zinc/41/32/72/1083413272.db2.gz IPUZGUFVRFDTST-HZPDHXFCSA-N 1 0 307.434 3.393 20 10 DGCDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc(Cl)cc1O ZINC001181556521 1083491100 /nfs/dbraw/zinc/49/11/00/1083491100.db2.gz XRHZFFFUHUDCBV-ZDUSSCGKSA-N 1 0 304.777 3.313 20 10 DGCDRO CCC(=O)N1CCC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001267871395 1083494051 /nfs/dbraw/zinc/49/40/51/1083494051.db2.gz FQNCYCDFGDHDTJ-MRXNPFEDSA-N 1 0 318.461 3.132 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC2(C)CC2)cc1C ZINC001267995216 1083708758 /nfs/dbraw/zinc/70/87/58/1083708758.db2.gz FLWCBTYBXHQTFH-AWEZNQCLSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3occc3c2)c(O)c1OC ZINC001182806312 1083795082 /nfs/dbraw/zinc/79/50/82/1083795082.db2.gz SFGLYFZTZHRGPH-UHFFFAOYSA-N 1 0 313.353 3.445 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2sc(N(C)C)nc2Cl)c1 ZINC001182958880 1083842153 /nfs/dbraw/zinc/84/21/53/1083842153.db2.gz FSLNBVAJLBNNBM-UHFFFAOYSA-N 1 0 311.838 3.166 20 10 DGCDRO CCCC(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001268031357 1083895978 /nfs/dbraw/zinc/89/59/78/1083895978.db2.gz YNGAZOLTUCHHJL-UHFFFAOYSA-N 1 0 318.461 3.322 20 10 DGCDRO COc1c(F)cccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001143536972 1084610353 /nfs/dbraw/zinc/61/03/53/1084610353.db2.gz LXQJAFSLTXQOSL-UHFFFAOYSA-N 1 0 317.360 3.194 20 10 DGCDRO CCC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482135043 1084858049 /nfs/dbraw/zinc/85/80/49/1084858049.db2.gz DHAJFGMUOUEEEQ-AWEZNQCLSA-N 1 0 320.477 3.282 20 10 DGCDRO CCC[C@H](C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268638957 1084907318 /nfs/dbraw/zinc/90/73/18/1084907318.db2.gz AVYODEHRALWTSF-DZGCQCFKSA-N 1 0 306.450 3.034 20 10 DGCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001462095313 1126197347 /nfs/dbraw/zinc/19/73/47/1126197347.db2.gz NQYRVFMHZYRBAI-MRXNPFEDSA-N 1 0 305.805 3.047 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(Cl)cc2O)cc1C ZINC001560873102 1126214360 /nfs/dbraw/zinc/21/43/60/1126214360.db2.gz FKCGAASRBALASV-KRWDZBQOSA-N 1 0 319.832 3.356 20 10 DGCDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001168149146 1086988175 /nfs/dbraw/zinc/98/81/75/1086988175.db2.gz LHHCXYTXHYMUOM-APPDUMDISA-N 1 0 321.804 3.005 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC2(C)CC2)cc1C ZINC001482856973 1087173259 /nfs/dbraw/zinc/17/32/59/1087173259.db2.gz VBQIBRRACYODLQ-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000697909846 1087378409 /nfs/dbraw/zinc/37/84/09/1087378409.db2.gz YKQCMCXGYOCSKN-CYBMUJFWSA-N 1 0 322.449 3.205 20 10 DGCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(C)ccc2O)C1=O ZINC001272623266 1088330427 /nfs/dbraw/zinc/33/04/27/1088330427.db2.gz YOBZNSMGWOKPCG-DNVCBOLYSA-N 1 0 316.445 3.066 20 10 DGCDRO Nc1ccc(Nc2cc(F)ccc2OC2CC[NH2+]CC2)cc1 ZINC001160134505 1088661129 /nfs/dbraw/zinc/66/11/29/1088661129.db2.gz FELMENOFHFDMNY-UHFFFAOYSA-N 1 0 301.365 3.282 20 10 DGCDRO Cc1cncc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001155629303 1089193516 /nfs/dbraw/zinc/19/35/16/1089193516.db2.gz GYYHALOOUCOLNE-JRBPQWBISA-N 1 0 324.472 3.184 20 10 DGCDRO CC(C)N(Cc1c(O)ccc(Cl)c1Cl)[C@@H]1CC[NH2+]C1 ZINC001236525232 1089275465 /nfs/dbraw/zinc/27/54/65/1089275465.db2.gz ADMDTFPWWDHUCB-SNVBAGLBSA-N 1 0 303.233 3.271 20 10 DGCDRO C[NH+](C)C1CCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236792564 1089863122 /nfs/dbraw/zinc/86/31/22/1089863122.db2.gz FEIYTLRYWCSPSG-UHFFFAOYSA-N 1 0 303.233 3.225 20 10 DGCDRO CC/C=C(/C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485128756 1089981567 /nfs/dbraw/zinc/98/15/67/1089981567.db2.gz RONGOGVUQIEVKW-NWDJSDSRSA-N 1 0 318.461 3.343 20 10 DGCDRO C=C/C(C)=C/CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001164116744 1090347356 /nfs/dbraw/zinc/34/73/56/1090347356.db2.gz QKFOUZFOPLKGSL-VIZOYTHASA-N 1 0 316.445 3.122 20 10 DGCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C)cc2O)C1=O ZINC001272766396 1090561920 /nfs/dbraw/zinc/56/19/20/1090561920.db2.gz PXECUAKVHPLAMV-BEFAXECRSA-N 1 0 316.445 3.066 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC001203491513 1090743089 /nfs/dbraw/zinc/74/30/89/1090743089.db2.gz MKYUKVIUOKSHJD-INIZCTEOSA-N 1 0 312.413 3.021 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC001203551529 1090754251 /nfs/dbraw/zinc/75/42/51/1090754251.db2.gz GWPNWWKJHMAHOU-UHFFFAOYSA-N 1 0 313.397 3.348 20 10 DGCDRO C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1ccccc1O ZINC001203558603 1090755472 /nfs/dbraw/zinc/75/54/72/1090755472.db2.gz OPMMKRDREHBMKI-UHFFFAOYSA-N 1 0 308.422 3.129 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001203561663 1090756328 /nfs/dbraw/zinc/75/63/28/1090756328.db2.gz XRLRTYHJLLEOQB-PKOBYXMFSA-N 1 0 308.425 3.099 20 10 DGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(OC)c1O)C2 ZINC001203591525 1090763082 /nfs/dbraw/zinc/76/30/82/1090763082.db2.gz HXLNDRZBMFYQKL-QAPCUYQASA-N 1 0 305.418 3.039 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@H](Oc3ccccc3C)C2)c1O ZINC001203595835 1090764163 /nfs/dbraw/zinc/76/41/63/1090764163.db2.gz QPCIEBCFDAEWPQ-INIZCTEOSA-N 1 0 313.397 3.363 20 10 DGCDRO COc1ccc(CC[N@H+](C)Cc2ccc(OC)cc2O)cc1 ZINC001203627393 1090769351 /nfs/dbraw/zinc/76/93/51/1090769351.db2.gz BKZDWHVIPDPHBS-UHFFFAOYSA-N 1 0 301.386 3.084 20 10 DGCDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001203642635 1090771992 /nfs/dbraw/zinc/77/19/92/1090771992.db2.gz MDMCRXPDISUPMW-KPXOXKRLSA-N 1 0 300.171 3.087 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001203665238 1090776254 /nfs/dbraw/zinc/77/62/54/1090776254.db2.gz DKNIGCWXWYWATF-MRXNPFEDSA-N 1 0 318.804 3.484 20 10 DGCDRO COC1(c2ccccc2)CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203880439 1090826542 /nfs/dbraw/zinc/82/65/42/1090826542.db2.gz RUWOQAHDXRBYEW-UHFFFAOYSA-N 1 0 313.397 3.236 20 10 DGCDRO COc1cccc(C2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c1 ZINC001203881701 1090826685 /nfs/dbraw/zinc/82/66/85/1090826685.db2.gz SWWLUEZVJRXPKA-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO CCC[C@H](O)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001203889551 1090828030 /nfs/dbraw/zinc/82/80/30/1090828030.db2.gz KFPZYMGOILPDCF-AWEZNQCLSA-N 1 0 309.450 3.339 20 10 DGCDRO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001203937667 1090843734 /nfs/dbraw/zinc/84/37/34/1090843734.db2.gz KIFHIRFAUAVVJP-UHFFFAOYSA-N 1 0 312.413 3.171 20 10 DGCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203937579 1090844509 /nfs/dbraw/zinc/84/45/09/1090844509.db2.gz YGFKLYJDMMJOQM-UHFFFAOYSA-N 1 0 324.424 3.098 20 10 DGCDRO CCN(CC)c1ccc(CN2CC([NH+]3CCC(F)CC3)C2)cc1 ZINC001203942157 1090845259 /nfs/dbraw/zinc/84/52/59/1090845259.db2.gz LRMDJNSCXKRFTL-UHFFFAOYSA-N 1 0 319.468 3.151 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@H]([NH+](CC)CC)C2)cc1 ZINC001203942420 1090845619 /nfs/dbraw/zinc/84/56/19/1090845619.db2.gz PXKDSPPNXQXPBY-IBGZPJMESA-N 1 0 303.494 3.449 20 10 DGCDRO CCOc1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1OC ZINC001204189831 1090916839 /nfs/dbraw/zinc/91/68/39/1090916839.db2.gz FYYOVOFSOCBMGR-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c3ccccc23)[C@@H]1CO ZINC001204233112 1090930036 /nfs/dbraw/zinc/93/00/36/1090930036.db2.gz NOLWQCWDKPYPCK-FOIQADDNSA-N 1 0 312.457 3.499 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@H]1O ZINC001204233171 1090930523 /nfs/dbraw/zinc/93/05/23/1090930523.db2.gz OOUSKQAYXXGJEL-FOIQADDNSA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)c2ccccc21 ZINC001204239621 1090931337 /nfs/dbraw/zinc/93/13/37/1090931337.db2.gz ALFSYXIJQXZCFW-CALCHBBNSA-N 1 0 309.457 3.184 20 10 DGCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204320879 1090948035 /nfs/dbraw/zinc/94/80/35/1090948035.db2.gz CCHVUVWLKQCHRD-WBVHZDCISA-N 1 0 316.445 3.060 20 10 DGCDRO CCOCC[NH+](CCOCC)Cc1ccc(N2CCCC2)cc1 ZINC001204320808 1090948481 /nfs/dbraw/zinc/94/84/81/1090948481.db2.gz AWLJECZIBZACGF-UHFFFAOYSA-N 1 0 320.477 3.162 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@](C)(CO)C1 ZINC001204324949 1090949698 /nfs/dbraw/zinc/94/96/98/1090949698.db2.gz PNFIPRJFJCKFHC-LJQANCHMSA-N 1 0 302.462 3.270 20 10 DGCDRO c1cnn(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)c1 ZINC001204328135 1090950274 /nfs/dbraw/zinc/95/02/74/1090950274.db2.gz CMXSABCWTTUTDI-UHFFFAOYSA-N 1 0 310.445 3.320 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329579 1090950989 /nfs/dbraw/zinc/95/09/89/1090950989.db2.gz QTXFBHZSBRIJRF-KRWDZBQOSA-N 1 0 316.445 3.062 20 10 DGCDRO CC[C@@H](C)[C@@H](C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1)OC ZINC001204388418 1090959869 /nfs/dbraw/zinc/95/98/69/1090959869.db2.gz CAPFJGWFKOKWDK-RDTXWAMCSA-N 1 0 324.440 3.017 20 10 DGCDRO CCC(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001272986280 1090965420 /nfs/dbraw/zinc/96/54/20/1090965420.db2.gz QGPFIDKHYCEOPZ-HNNXBMFYSA-N 1 0 320.477 3.424 20 10 DGCDRO C[C@]1([NH3+])CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001204801905 1091039455 /nfs/dbraw/zinc/03/94/55/1091039455.db2.gz WGVRIHTVOWDHRH-SFHVURJKSA-N 1 0 300.377 3.121 20 10 DGCDRO C[C@@H]1CN(Cc2ccc(N)cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001204896137 1091057405 /nfs/dbraw/zinc/05/74/05/1091057405.db2.gz HXHHFHJYLUBSRL-SJORKVTESA-N 1 0 309.457 3.364 20 10 DGCDRO C[NH2+]C[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001205015353 1091084103 /nfs/dbraw/zinc/08/41/03/1091084103.db2.gz BVCOPJLJZXTTSH-SNVBAGLBSA-N 1 0 303.233 3.130 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCC[C@@H]1O ZINC001138215576 1091118130 /nfs/dbraw/zinc/11/81/30/1091118130.db2.gz JYDATQNHJLIVKB-LPHOPBHVSA-N 1 0 302.462 3.270 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O ZINC001138215522 1091118207 /nfs/dbraw/zinc/11/82/07/1091118207.db2.gz ILNLMRNRQPWFPZ-LPHOPBHVSA-N 1 0 302.462 3.270 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1CO ZINC001138215409 1091118644 /nfs/dbraw/zinc/11/86/44/1091118644.db2.gz DNKOZZIBWINRPD-QFBILLFUSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1c(C[NH+]2CCN(Cc3ccco3)CC2)c2ccccc2n1C ZINC001138256847 1091125895 /nfs/dbraw/zinc/12/58/95/1091125895.db2.gz MZLYOVHKPMJYBP-UHFFFAOYSA-N 1 0 323.440 3.398 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138256962 1091126342 /nfs/dbraw/zinc/12/63/42/1091126342.db2.gz QVJWDGUIRPIPML-OAHLLOKOSA-N 1 0 314.429 3.262 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc23)CC1 ZINC001138259109 1091128332 /nfs/dbraw/zinc/12/83/32/1091128332.db2.gz BKJGXLQCHLLYLI-HNNXBMFYSA-N 1 0 314.429 3.262 20 10 DGCDRO C[C@H]1CCCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336727 1091144736 /nfs/dbraw/zinc/14/47/36/1091144736.db2.gz XQDDTAUOSJNVHQ-AWEZNQCLSA-N 1 0 300.446 3.465 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@H](F)CC2)cc2c3c1CCCN3CCC2 ZINC001138337594 1091145309 /nfs/dbraw/zinc/14/53/09/1091145309.db2.gz BLXZIKBOLXLOBM-INIZCTEOSA-N 1 0 318.436 3.415 20 10 DGCDRO Oc1c(C[N@@H+]2CCC3(CCC3)C2)cc2c3c1CCCN3CCC2 ZINC001138339345 1091146488 /nfs/dbraw/zinc/14/64/88/1091146488.db2.gz CJUHVPVXNLEGCW-UHFFFAOYSA-N 1 0 312.457 3.467 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC(C)(C)C[C@@]3(C)CO)ccc21 ZINC001138354696 1091150373 /nfs/dbraw/zinc/15/03/73/1091150373.db2.gz QNPSGRQUXHLNTC-IBGZPJMESA-N 1 0 302.462 3.052 20 10 DGCDRO CN1CCCc2cc(CN3CCC[C@@H]3C[NH+]3CCCC3)ccc21 ZINC001138358763 1091152004 /nfs/dbraw/zinc/15/20/04/1091152004.db2.gz ZKEMMRVSLHDXFU-LJQANCHMSA-N 1 0 313.489 3.129 20 10 DGCDRO CCC[N@H+](CCOC)Cc1ccc(N(CC)CC)cc1OC ZINC001138388235 1091162931 /nfs/dbraw/zinc/16/29/31/1091162931.db2.gz UHAXPYTVBDZYNG-UHFFFAOYSA-N 1 0 308.466 3.400 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(OC)c1 ZINC001138390487 1091166103 /nfs/dbraw/zinc/16/61/03/1091166103.db2.gz YUDFLSMOCWOJGA-XIRDDKMYSA-N 1 0 306.425 3.474 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(O)c1 ZINC001205402966 1091212393 /nfs/dbraw/zinc/21/23/93/1091212393.db2.gz OFUVTDFGRVICNH-UHFFFAOYSA-N 1 0 316.357 3.216 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cncn1Cc1ccccc1)CC2 ZINC001138564546 1091229307 /nfs/dbraw/zinc/22/93/07/1091229307.db2.gz OUVYACDAQGHSML-UHFFFAOYSA-N 1 0 319.408 3.195 20 10 DGCDRO OC[C@@]1([NH2+]Cc2ccc(Cl)cc2O)CCCc2ccccc21 ZINC001205501781 1091237116 /nfs/dbraw/zinc/23/71/16/1091237116.db2.gz UAJMXLZOFNUMCR-SFHVURJKSA-N 1 0 317.816 3.359 20 10 DGCDRO CCOC1CC2(C1)CC[N@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001205729637 1091323547 /nfs/dbraw/zinc/32/35/47/1091323547.db2.gz SJYTXYPNHKZDOA-UHFFFAOYSA-N 1 0 305.418 3.100 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(-c3cnccn3)cc1)CC2 ZINC001139393058 1091543986 /nfs/dbraw/zinc/54/39/86/1091543986.db2.gz HKAUIDSXIFGPLW-UHFFFAOYSA-N 1 0 317.392 3.408 20 10 DGCDRO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001206239078 1091545094 /nfs/dbraw/zinc/54/50/94/1091545094.db2.gz YTSFTVTWJNJEFA-OAHLLOKOSA-N 1 0 310.319 3.011 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c1 ZINC001206245022 1091546903 /nfs/dbraw/zinc/54/69/03/1091546903.db2.gz PHACUGDKPMWXLG-HNNXBMFYSA-N 1 0 316.367 3.155 20 10 DGCDRO CC(C)(C)c1ccc(CN2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206371331 1091603868 /nfs/dbraw/zinc/60/38/68/1091603868.db2.gz SQDWNFMZFYNDDP-SFHVURJKSA-N 1 0 308.441 3.343 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CCCC1 ZINC001139672247 1091637349 /nfs/dbraw/zinc/63/73/49/1091637349.db2.gz UTFWMVBPHFEXKW-UHFFFAOYSA-N 1 0 318.461 3.369 20 10 DGCDRO Cc1cc(C[NH+]2CCC(c3ncccn3)CC2)ccc1N(C)C ZINC001139672829 1091638217 /nfs/dbraw/zinc/63/82/17/1091638217.db2.gz HXAALPIYVJYMJE-UHFFFAOYSA-N 1 0 310.445 3.231 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)ccc1N(C)C ZINC001139673205 1091639162 /nfs/dbraw/zinc/63/91/62/1091639162.db2.gz CLKPCRWFRMCCFL-MRXNPFEDSA-N 1 0 310.388 3.061 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)nc1 ZINC001139673729 1091640251 /nfs/dbraw/zinc/64/02/51/1091640251.db2.gz WMDWJJTYXFJBKL-UHFFFAOYSA-N 1 0 324.472 3.087 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1Cl ZINC001206715989 1091709975 /nfs/dbraw/zinc/70/99/75/1091709975.db2.gz ZOUJIBOEPJYXFY-UHFFFAOYSA-N 1 0 319.788 3.430 20 10 DGCDRO Oc1cccc(Br)c1C[NH+]1CC(c2cccnc2)C1 ZINC001140101071 1091769770 /nfs/dbraw/zinc/76/97/70/1091769770.db2.gz IZBMUVYPIGUQCD-UHFFFAOYSA-N 1 0 319.202 3.149 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1c(C)ccc(C)c1O ZINC001140178937 1091791905 /nfs/dbraw/zinc/79/19/05/1091791905.db2.gz DFEFELXMYSZKLA-UHFFFAOYSA-N 1 0 317.385 3.167 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178847 1091792064 /nfs/dbraw/zinc/79/20/64/1091792064.db2.gz ZSAXAVLMMFYRJU-HNNXBMFYSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c1O ZINC001140178184 1091792265 /nfs/dbraw/zinc/79/22/65/1091792265.db2.gz BWAMACAQOLNNKJ-OAHLLOKOSA-N 1 0 317.351 3.288 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CC(N(C)C(=O)OC(C)(C)C)C2)c1O ZINC001140178314 1091792428 /nfs/dbraw/zinc/79/24/28/1091792428.db2.gz HTQQBYKRZFCDEB-UHFFFAOYSA-N 1 0 320.433 3.060 20 10 DGCDRO CCC[N@H+](Cc1c(C)ccc(C)c1O)C1CCN(C(C)=O)CC1 ZINC001140183269 1091793583 /nfs/dbraw/zinc/79/35/83/1091793583.db2.gz ARVJYVCIBSHMOO-UHFFFAOYSA-N 1 0 318.461 3.232 20 10 DGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3c(C)ccc(C)c3O)C2)n1 ZINC001140183317 1091793947 /nfs/dbraw/zinc/79/39/47/1091793947.db2.gz BORZVNXGSHYLFC-CQSZACIVSA-N 1 0 315.417 3.334 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140181909 1091794139 /nfs/dbraw/zinc/79/41/39/1091794139.db2.gz XTSBCQDDCOGBAA-UHFFFAOYSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c1O ZINC001140184725 1091794673 /nfs/dbraw/zinc/79/46/73/1091794673.db2.gz GANSWKMHLTYHKP-MRXNPFEDSA-N 1 0 312.413 3.366 20 10 DGCDRO Cc1ccc(C)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c1O ZINC001140185984 1091795263 /nfs/dbraw/zinc/79/52/63/1091795263.db2.gz WEGGGOIDFKXBQG-IRXDYDNUSA-N 1 0 306.425 3.017 20 10 DGCDRO CCc1nnc(C2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)o1 ZINC001140184093 1091795298 /nfs/dbraw/zinc/79/52/98/1091795298.db2.gz MPMGDENSGYENNZ-UHFFFAOYSA-N 1 0 315.417 3.334 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3CCC4(CC4)CC3)cc2)CC1 ZINC001140283387 1091816666 /nfs/dbraw/zinc/81/66/66/1091816666.db2.gz RQUDFAVVOIAJMV-UHFFFAOYSA-N 1 0 300.446 3.024 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCO[C@@H](c2ccncc2)C1 ZINC001140341684 1091834527 /nfs/dbraw/zinc/83/45/27/1091834527.db2.gz BYXHNZLJLZIZQQ-MRXNPFEDSA-N 1 0 304.777 3.014 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1c(O)cccc1Cl ZINC001140341598 1091834851 /nfs/dbraw/zinc/83/48/51/1091834851.db2.gz YQVDGXZSKMKWOP-ZDUSSCGKSA-N 1 0 311.809 3.352 20 10 DGCDRO O=C([C@@H]1CCCC[N@H+]1Cc1c(O)cccc1Cl)N1CCCC1 ZINC001140345612 1091837466 /nfs/dbraw/zinc/83/74/66/1091837466.db2.gz WXEOPXAIWDLZOR-HNNXBMFYSA-N 1 0 322.836 3.023 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC001140461026 1091874624 /nfs/dbraw/zinc/87/46/24/1091874624.db2.gz BPZURQQNIDIRQY-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO Cn1ccc(C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)n1 ZINC001140464334 1091875716 /nfs/dbraw/zinc/87/57/16/1091875716.db2.gz LPGOLYYQHIQLFM-UHFFFAOYSA-N 1 0 305.809 3.159 20 10 DGCDRO Cc1c[nH+]ccc1N1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140464629 1091876217 /nfs/dbraw/zinc/87/62/17/1091876217.db2.gz XYUWZTHWHNCZLZ-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)no1 ZINC001140466148 1091879117 /nfs/dbraw/zinc/87/91/17/1091879117.db2.gz YVEAYQBFIXGAJI-UHFFFAOYSA-N 1 0 321.808 3.371 20 10 DGCDRO Cc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001140468362 1091879325 /nfs/dbraw/zinc/87/93/25/1091879325.db2.gz IHOLNWPKGKRNHH-OAHLLOKOSA-N 1 0 318.804 3.402 20 10 DGCDRO CC(C)NC(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC001140617225 1091932118 /nfs/dbraw/zinc/93/21/18/1091932118.db2.gz IEGULTYCJWGOAJ-UHFFFAOYSA-N 1 0 312.413 3.162 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1 ZINC001140621098 1091934164 /nfs/dbraw/zinc/93/41/64/1091934164.db2.gz OMFUXGWEZGUXHB-QUCCMNQESA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC001140624224 1091936515 /nfs/dbraw/zinc/93/65/15/1091936515.db2.gz LRBAFNVVIXSDIO-QUCCMNQESA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccc(F)cc3C)CC2)c1 ZINC001140623863 1091936557 /nfs/dbraw/zinc/93/65/57/1091936557.db2.gz VLCTWZVAAPROHM-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CCC2)CC1 ZINC001140660148 1091948266 /nfs/dbraw/zinc/94/82/66/1091948266.db2.gz HNJPLKQCZJOXNZ-UHFFFAOYSA-N 1 0 318.436 3.428 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)[C@H]1C ZINC001140661698 1091950332 /nfs/dbraw/zinc/95/03/32/1091950332.db2.gz OJDHSRLLQHBFNI-CABCVRRESA-N 1 0 306.425 3.283 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c1O ZINC001140745554 1091983555 /nfs/dbraw/zinc/98/35/55/1091983555.db2.gz KMBZTKCOFFPNJQ-QGZVFWFLSA-N 1 0 313.397 3.197 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(O)c(C)c1O ZINC001140749713 1091985795 /nfs/dbraw/zinc/98/57/95/1091985795.db2.gz KJWFWPQPRSMYKW-UHFFFAOYSA-N 1 0 314.429 3.494 20 10 DGCDRO CCOCC1CC[NH+](Cc2ccc(N(CC)CC)cc2O)CC1 ZINC001140855654 1092030481 /nfs/dbraw/zinc/03/04/81/1092030481.db2.gz HDOMVWLNUBMTRY-UHFFFAOYSA-N 1 0 320.477 3.487 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H]2C(C)C)c(O)c1 ZINC001140855465 1092031373 /nfs/dbraw/zinc/03/13/73/1092031373.db2.gz AESYQBCXHIXLCV-KRWDZBQOSA-N 1 0 306.450 3.095 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OC(C)C)C2)c(O)c1 ZINC001140855757 1092031467 /nfs/dbraw/zinc/03/14/67/1092031467.db2.gz JOMLLGAVEIFZKF-KRWDZBQOSA-N 1 0 306.450 3.238 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)CCC[C@@]1(C)O ZINC001140921308 1092062128 /nfs/dbraw/zinc/06/21/28/1092062128.db2.gz ATCGNXMNRJPLTG-CXAGYDPISA-N 1 0 310.869 3.389 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3noc4ccccc43)CC2)c(O)c1 ZINC001140948681 1092074570 /nfs/dbraw/zinc/07/45/70/1092074570.db2.gz VLBGDYNDTNNQLD-UHFFFAOYSA-N 1 0 323.396 3.164 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(O)c1 ZINC001140950974 1092078225 /nfs/dbraw/zinc/07/82/25/1092078225.db2.gz RHZLCYHSZPNJAL-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO FC1(F)C[C@@H]2C[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]21 ZINC001141074956 1092129909 /nfs/dbraw/zinc/12/99/09/1092129909.db2.gz FQXOYLPHKDMEEH-SJORKVTESA-N 1 0 318.411 3.472 20 10 DGCDRO C[N@H+](Cc1ccc(Br)cc1)Cc1cc(O)ccc1O ZINC001141158547 1092155723 /nfs/dbraw/zinc/15/57/23/1092155723.db2.gz DJVDMWHZUBIWNO-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC(n3ncc4ccccc43)CC2)c1 ZINC001141161750 1092157174 /nfs/dbraw/zinc/15/71/74/1092157174.db2.gz WUGRCSHZXACZML-UHFFFAOYSA-N 1 0 323.396 3.285 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1O ZINC001168831296 1092385726 /nfs/dbraw/zinc/38/57/26/1092385726.db2.gz UXGFYPNISQYHAB-ZFWWWQNUSA-N 1 0 320.433 3.188 20 10 DGCDRO CC1([NH+]2CCCC2)CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142530981 1092497823 /nfs/dbraw/zinc/49/78/23/1092497823.db2.gz NBUGBWXJLKDBOA-UHFFFAOYSA-N 1 0 310.388 3.121 20 10 DGCDRO CC[C@@H](CCC(=O)OC)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001208792691 1092510097 /nfs/dbraw/zinc/51/00/97/1092510097.db2.gz QDOFCZHRUMCHKB-HNNXBMFYSA-N 1 0 306.450 3.164 20 10 DGCDRO CC[N@H+](Cc1cnc2ccc(Cl)nn12)Cc1ccccc1O ZINC001142997096 1092600228 /nfs/dbraw/zinc/60/02/28/1092600228.db2.gz MQCZJQFNZIIJAE-UHFFFAOYSA-N 1 0 316.792 3.110 20 10 DGCDRO CC(C)C[NH+]1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143105375 1092615359 /nfs/dbraw/zinc/61/53/59/1092615359.db2.gz SMPDSZMTAWUHMR-UHFFFAOYSA-N 1 0 304.478 3.463 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCN3CCCC[C@@H]3C2)c1O ZINC001143110609 1092616673 /nfs/dbraw/zinc/61/66/73/1092616673.db2.gz LEXKFPQPCWNETC-MRXNPFEDSA-N 1 0 302.462 3.360 20 10 DGCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110776 1092617009 /nfs/dbraw/zinc/61/70/09/1092617009.db2.gz OOVSCBBMACACKO-UKRRQHHQSA-N 1 0 319.445 3.321 20 10 DGCDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143116494 1092617810 /nfs/dbraw/zinc/61/78/10/1092617810.db2.gz FAVFONNXKXEDKJ-INWMFGNUSA-N 1 0 317.429 3.216 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CC(C)(C)OCC)CC2)cc1 ZINC001209077114 1092642914 /nfs/dbraw/zinc/64/29/14/1092642914.db2.gz YTHXUUHBIVPQSH-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCc2ccc3c(c2)CCO3)cc1 ZINC001209148911 1092672721 /nfs/dbraw/zinc/67/27/21/1092672721.db2.gz NJQWPMMRZTVSEE-UHFFFAOYSA-N 1 0 310.441 3.362 20 10 DGCDRO CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001214164175 1093725360 /nfs/dbraw/zinc/72/53/60/1093725360.db2.gz NHGUMKJPVRBXLW-NVXWUHKLSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@@H]1CC[C@@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C[NH2+]1 ZINC001217701124 1094475305 /nfs/dbraw/zinc/47/53/05/1094475305.db2.gz BKMKLLLLMMRXHP-UKRRQHHQSA-N 1 0 308.385 3.383 20 10 DGCDRO Cc1cccc2c1CC[C@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218039027 1094573468 /nfs/dbraw/zinc/57/34/68/1094573468.db2.gz RTYXUMFEEZCSKP-HXUWFJFHSA-N 1 0 308.425 3.471 20 10 DGCDRO COc1ccc([C@@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001218294851 1094700378 /nfs/dbraw/zinc/70/03/78/1094700378.db2.gz PERCKJCMUIQLQP-OAHLLOKOSA-N 1 0 312.413 3.245 20 10 DGCDRO C[C@@H]1[NH2+]C[C@H]1Oc1cc(N(C)C)ccc1/N=N/c1ccccn1 ZINC001218394927 1094747255 /nfs/dbraw/zinc/74/72/55/1094747255.db2.gz ZMYLMCFVONOVIC-HVBDJUNDSA-N 1 0 311.389 3.302 20 10 DGCDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001336893591 1094776666 /nfs/dbraw/zinc/77/66/66/1094776666.db2.gz LQMUNZSZHICJQT-KRWDZBQOSA-N 1 0 319.468 3.342 20 10 DGCDRO C[NH+]1CC2(C1)CCCN(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001276804571 1094970588 /nfs/dbraw/zinc/97/05/88/1094970588.db2.gz HDQDNQJVOPKPGM-UHFFFAOYSA-N 1 0 315.244 3.227 20 10 DGCDRO Cc1cc(CN2CCC([N@H+](C)C3CC3)CC2)ccc1N(C)C ZINC001139674430 1095053809 /nfs/dbraw/zinc/05/38/09/1095053809.db2.gz ZLXLSWBXRICYHP-UHFFFAOYSA-N 1 0 301.478 3.120 20 10 DGCDRO C[NH+]1CC2(C1)CCCN(Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001276819131 1095207879 /nfs/dbraw/zinc/20/78/79/1095207879.db2.gz NZTGKGRQHWGFKX-UHFFFAOYSA-N 1 0 315.244 3.227 20 10 DGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001338185067 1095214410 /nfs/dbraw/zinc/21/44/10/1095214410.db2.gz CZHZFFRWCOIOFM-IHRRRGAJSA-N 1 0 318.417 3.069 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC001338444608 1095305275 /nfs/dbraw/zinc/30/52/75/1095305275.db2.gz AVVKPDQRRLFJIE-GOSISDBHSA-N 1 0 302.462 3.270 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC001338444609 1095305852 /nfs/dbraw/zinc/30/58/52/1095305852.db2.gz AVVKPDQRRLFJIE-SFHVURJKSA-N 1 0 302.462 3.270 20 10 DGCDRO Oc1cccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)c1O ZINC001171103855 1095374813 /nfs/dbraw/zinc/37/48/13/1095374813.db2.gz CVNBCNAUNPSAEA-OAHLLOKOSA-N 1 0 303.789 3.398 20 10 DGCDRO [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222162102 1095469125 /nfs/dbraw/zinc/46/91/25/1095469125.db2.gz YEYHNVKFMJBSHL-GOSISDBHSA-N 1 0 324.415 3.416 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222166639 1095470937 /nfs/dbraw/zinc/47/09/37/1095470937.db2.gz APMNPTADQVEGGE-SFHVURJKSA-N 1 0 324.415 3.416 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222277706 1095525088 /nfs/dbraw/zinc/52/50/88/1095525088.db2.gz QQGVRTJRMHWGDR-QGZVFWFLSA-N 1 0 324.852 3.020 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCC3(CCCC[NH2+]3)CC2)c1O ZINC001222297315 1095534831 /nfs/dbraw/zinc/53/48/31/1095534831.db2.gz DARKDAKGDXTXFN-UHFFFAOYSA-N 1 0 308.853 3.462 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)ccc1N(C)C ZINC001139669625 1095600079 /nfs/dbraw/zinc/60/00/79/1095600079.db2.gz DRMGAJMATHHVIR-WMZOPIPTSA-N 1 0 300.446 3.395 20 10 DGCDRO Oc1cc(O)c(C[NH+]2CCC(c3ccccc3F)CC2)c(O)c1 ZINC001144509260 1095698147 /nfs/dbraw/zinc/69/81/47/1095698147.db2.gz QYDHETCWEVKIPL-UHFFFAOYSA-N 1 0 317.360 3.322 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)c(O)c1 ZINC001144509458 1095698869 /nfs/dbraw/zinc/69/88/69/1095698869.db2.gz XBNHXVKVXXEVQO-OAHLLOKOSA-N 1 0 321.323 3.419 20 10 DGCDRO C[NH+]1CCC(C2CC[NH+](Cc3c([O-])cccc3F)CC2)CC1 ZINC001137837498 1095760124 /nfs/dbraw/zinc/76/01/24/1095760124.db2.gz JJBLSGCUQSVGEH-UHFFFAOYSA-N 1 0 306.425 3.085 20 10 DGCDRO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c([O-])cccc1F ZINC001137839196 1095760532 /nfs/dbraw/zinc/76/05/32/1095760532.db2.gz VUIYXTXPZOCACA-GJZGRUSLSA-N 1 0 306.425 3.370 20 10 DGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137855973 1095767607 /nfs/dbraw/zinc/76/76/07/1095767607.db2.gz MAZGBKHTBAHXBL-MRXNPFEDSA-N 1 0 312.413 3.089 20 10 DGCDRO CC[N@H+](CCC(=O)OC)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859441 1095769266 /nfs/dbraw/zinc/76/92/66/1095769266.db2.gz YPUMLNFMCAHESB-UHFFFAOYSA-N 1 0 314.429 3.479 20 10 DGCDRO COC(C[N@H+](C)Cc1cc(C)n(-c2ccccc2)c1C)OC ZINC001137859116 1095770802 /nfs/dbraw/zinc/77/08/02/1095770802.db2.gz JFMDIQHIXNTDBP-UHFFFAOYSA-N 1 0 302.418 3.145 20 10 DGCDRO CCC1(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001146256477 1096008559 /nfs/dbraw/zinc/00/85/59/1096008559.db2.gz XDAJCDKGIFTFOC-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO C[C@H](Cc1ccncc1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118801329 1096080060 /nfs/dbraw/zinc/08/00/60/1096080060.db2.gz OCSHNAKHKYIFCW-GFCCVEGCSA-N 1 0 305.372 3.147 20 10 DGCDRO Oc1cc2ccccc2cc1CNc1ccc2c(n1)C[NH2+]CC2 ZINC001171403048 1096671012 /nfs/dbraw/zinc/67/10/12/1096671012.db2.gz XVVJFXFNDBPIMV-UHFFFAOYSA-N 1 0 305.381 3.198 20 10 DGCDRO Oc1cccc(C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)c1O ZINC001171463223 1096892409 /nfs/dbraw/zinc/89/24/09/1096892409.db2.gz OSJBHZRPOCCBJP-CYBMUJFWSA-N 1 0 305.324 3.023 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172622368 1097207151 /nfs/dbraw/zinc/20/71/51/1097207151.db2.gz KIKBWWXSWNUDEL-WMZOPIPTSA-N 1 0 318.461 3.306 20 10 DGCDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001172752126 1097226101 /nfs/dbraw/zinc/22/61/01/1097226101.db2.gz DPQWCQXHSXXHEG-MRXNPFEDSA-N 1 0 318.461 3.497 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H]3CCC[C@@H](OC)C3)CC2)c(C)c1 ZINC001172945947 1097289751 /nfs/dbraw/zinc/28/97/51/1097289751.db2.gz DEPRPOPVVGFRJY-DLBZAZTESA-N 1 0 318.461 3.083 20 10 DGCDRO CC[NH+](CC)C1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001173112589 1097333229 /nfs/dbraw/zinc/33/32/29/1097333229.db2.gz CQAMUSYAOIPRGX-UHFFFAOYSA-N 1 0 302.462 3.403 20 10 DGCDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001277409645 1097363718 /nfs/dbraw/zinc/36/37/18/1097363718.db2.gz YZZKJCFDGXEQCE-BETUJISGSA-N 1 0 308.853 3.231 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001173648692 1097491047 /nfs/dbraw/zinc/49/10/47/1097491047.db2.gz FLVCPBWCTUHLKC-GDBMZVCRSA-N 1 0 305.418 3.215 20 10 DGCDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC001231590456 1097785083 /nfs/dbraw/zinc/78/50/83/1097785083.db2.gz BSXXOAXRUYAGHK-UHFFFAOYSA-N 1 0 320.392 3.247 20 10 DGCDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCC2(C1)OCCO2 ZINC001231589425 1097785212 /nfs/dbraw/zinc/78/52/12/1097785212.db2.gz ICQMYXYLRNYYFJ-OAHLLOKOSA-N 1 0 313.397 3.273 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CC(Oc2cccnc2)C1 ZINC001231590077 1097786069 /nfs/dbraw/zinc/78/60/69/1097786069.db2.gz IDNUTPRXZOEVCD-UHFFFAOYSA-N 1 0 306.365 3.204 20 10 DGCDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC001231591173 1097786918 /nfs/dbraw/zinc/78/69/18/1097786918.db2.gz WUWUXQGVYAAFAB-KRWDZBQOSA-N 1 0 301.386 3.175 20 10 DGCDRO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cccc(C)c1O)C2 ZINC001231593562 1097787511 /nfs/dbraw/zinc/78/75/11/1097787511.db2.gz RTLSICBZLWCCQU-IBGZPJMESA-N 1 0 316.445 3.068 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c1O ZINC001231595301 1097788273 /nfs/dbraw/zinc/78/82/73/1097788273.db2.gz VWEXZNAMCFBIHU-KRWDZBQOSA-N 1 0 310.397 3.304 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cccc3cccnc32)c(O)cc1O ZINC001231636079 1097796851 /nfs/dbraw/zinc/79/68/51/1097796851.db2.gz QEGBRNOATXDAKX-UHFFFAOYSA-N 1 0 324.380 3.287 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(O)cc1O ZINC001231637148 1097796891 /nfs/dbraw/zinc/79/68/91/1097796891.db2.gz GDOYAPOORAQNMZ-CYBMUJFWSA-N 1 0 317.360 3.235 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c(O)c1 ZINC001231841949 1097859943 /nfs/dbraw/zinc/85/99/43/1097859943.db2.gz HUKXTZRVCWKKKP-UHFFFAOYSA-N 1 0 311.381 3.296 20 10 DGCDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231883876 1097878933 /nfs/dbraw/zinc/87/89/33/1097878933.db2.gz RYSMKJPWHZVFGV-KMFMINBZSA-N 1 0 311.381 3.071 20 10 DGCDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC001232265340 1097986265 /nfs/dbraw/zinc/98/62/65/1097986265.db2.gz UNMJRGIYXBBLNE-CQSZACIVSA-N 1 0 324.852 3.114 20 10 DGCDRO O=C1CCC2(CC1)CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232264010 1097986334 /nfs/dbraw/zinc/98/63/34/1097986334.db2.gz XXYPEAJCLIUOGZ-UHFFFAOYSA-N 1 0 323.820 3.477 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(O)c3ncccc13)CC2 ZINC001232277187 1097990074 /nfs/dbraw/zinc/99/00/74/1097990074.db2.gz LXJATHRUDQABJM-UHFFFAOYSA-N 1 0 306.365 3.204 20 10 DGCDRO COC(=O)c1c(C[NH+]2CCC(C)CC2)c2ccccc2n1C ZINC001232401478 1098029191 /nfs/dbraw/zinc/02/91/91/1098029191.db2.gz LGSXPRSYHZTBMA-UHFFFAOYSA-N 1 0 300.402 3.197 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2C[C@@H](C)CC23CC3)c2ccccc2n1C ZINC001232403754 1098030150 /nfs/dbraw/zinc/03/01/50/1098030150.db2.gz COJBKAWQIDWMCA-ZDUSSCGKSA-N 1 0 312.413 3.339 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](CF)C2)c2ccccc2n1C ZINC001232407419 1098030403 /nfs/dbraw/zinc/03/04/03/1098030403.db2.gz OONMDABTEQWWNJ-CYBMUJFWSA-N 1 0 318.392 3.146 20 10 DGCDRO C[N@H+](Cc1c[nH]c2nccnc12)Cc1ccc(N2CCCC2)cc1 ZINC001232548230 1098073214 /nfs/dbraw/zinc/07/32/14/1098073214.db2.gz JDSMPACQROQZAY-UHFFFAOYSA-N 1 0 321.428 3.142 20 10 DGCDRO CC[N@H+](Cc1ccc(CCO)cc1)Cc1ccc(N(C)C)cc1 ZINC001232780580 1098132638 /nfs/dbraw/zinc/13/26/38/1098132638.db2.gz JRJDWLZWEWSNBI-UHFFFAOYSA-N 1 0 312.457 3.310 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCC(=O)c2cccs2)c(O)c1 ZINC001232840465 1098150603 /nfs/dbraw/zinc/15/06/03/1098150603.db2.gz AQZDOVGFULMMHW-UHFFFAOYSA-N 1 0 318.442 3.225 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CC([NH+]3CCC(F)CC3)C2)c1 ZINC001233285993 1098275267 /nfs/dbraw/zinc/27/52/67/1098275267.db2.gz ADMASHRNCKNHJV-UHFFFAOYSA-N 1 0 320.452 3.308 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233286445 1098275813 /nfs/dbraw/zinc/27/58/13/1098275813.db2.gz UOXVJBGXZKBBMX-HNNXBMFYSA-N 1 0 305.418 3.217 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c1O ZINC001233287829 1098277335 /nfs/dbraw/zinc/27/73/35/1098277335.db2.gz JCQDULHTRRYGST-BZNIZROVSA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(Cl)cc(CN2CC[C@@](C)(F)[C@@H](F)C2)c1O ZINC001233287785 1098277503 /nfs/dbraw/zinc/27/75/03/1098277503.db2.gz HLSZVBHVRYCVNM-GXTWGEPZSA-N 1 0 305.752 3.326 20 10 DGCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233287435 1098277871 /nfs/dbraw/zinc/27/78/71/1098277871.db2.gz PKWKDDBQEUNKNN-SFHVURJKSA-N 1 0 305.418 3.075 20 10 DGCDRO C[C@]1(CO)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452016 1098338566 /nfs/dbraw/zinc/33/85/66/1098338566.db2.gz HRKXQTLEEVDLRM-HNNXBMFYSA-N 1 0 317.351 3.396 20 10 DGCDRO OC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452073 1098339066 /nfs/dbraw/zinc/33/90/66/1098339066.db2.gz JNASBPAZGUQEOG-LLVKDONJSA-N 1 0 303.324 3.005 20 10 DGCDRO OCC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453987 1098340481 /nfs/dbraw/zinc/34/04/81/1098340481.db2.gz BONHFHDCSSAKCI-LLVKDONJSA-N 1 0 303.324 3.005 20 10 DGCDRO CC(C)[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233454964 1098340922 /nfs/dbraw/zinc/34/09/22/1098340922.db2.gz QLCZZBBHPCKIGQ-CQSZACIVSA-N 1 0 303.324 3.268 20 10 DGCDRO CN(CCC[NH+]1CCCC1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454355 1098341015 /nfs/dbraw/zinc/34/10/15/1098341015.db2.gz RLMVNPQEHVAVBV-UHFFFAOYSA-N 1 0 316.367 3.329 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)[C@@H](C)C1 ZINC001233456378 1098342694 /nfs/dbraw/zinc/34/26/94/1098342694.db2.gz URMPNWJSRXQRKI-GXFFZTMASA-N 1 0 303.324 3.410 20 10 DGCDRO CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001233499286 1098353006 /nfs/dbraw/zinc/35/30/06/1098353006.db2.gz XYGYUYQWSNTSEL-CLLJXQQHSA-N 1 0 319.401 3.085 20 10 DGCDRO C[C@]1(O)CCCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233726703 1098416914 /nfs/dbraw/zinc/41/69/14/1098416914.db2.gz GMIGFXTXSJNDDW-AWEZNQCLSA-N 1 0 319.323 3.028 20 10 DGCDRO Oc1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cccc1OC(F)(F)F ZINC001233768519 1098427062 /nfs/dbraw/zinc/42/70/62/1098427062.db2.gz SOVMWCMVNJSHMK-DCAQKATOSA-N 1 0 305.271 3.223 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]2(CO)c2ccccc2)cc1 ZINC001176960072 1098457040 /nfs/dbraw/zinc/45/70/40/1098457040.db2.gz SPSAKXBLDXAKSS-FQEVSTJZSA-N 1 0 310.441 3.236 20 10 DGCDRO CC(=O)c1cc(O)c(O)cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001234475626 1098564868 /nfs/dbraw/zinc/56/48/68/1098564868.db2.gz HAJRFXCUJADIOG-WDNDVIMCSA-N 1 0 319.401 3.083 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4OCC[C@@H]4C3)c2c1 ZINC001234561922 1098600565 /nfs/dbraw/zinc/60/05/65/1098600565.db2.gz GIGWESMNQXTRSY-AUUYWEPGSA-N 1 0 313.397 3.165 20 10 DGCDRO CCCCOC[C@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657540 1098634591 /nfs/dbraw/zinc/63/45/91/1098634591.db2.gz DSLRKUCRTLLICT-KRWDZBQOSA-N 1 0 320.477 3.413 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)c3ccccn3)cc2)CC1 ZINC001234657068 1098635237 /nfs/dbraw/zinc/63/52/37/1098635237.db2.gz AQINPUQOPGTLMM-INIZCTEOSA-N 1 0 311.429 3.364 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC001234660093 1098636818 /nfs/dbraw/zinc/63/68/18/1098636818.db2.gz DFHLERKAPXCEEW-MRXNPFEDSA-N 1 0 310.388 3.395 20 10 DGCDRO COC(C[N@H+](C)Cc1cccc(-c2ccccc2)c1O)OC ZINC001234997213 1098740430 /nfs/dbraw/zinc/74/04/30/1098740430.db2.gz VKNGCEFPWNCVAK-UHFFFAOYSA-N 1 0 301.386 3.110 20 10 DGCDRO Cn1ncc2c1CC[N@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234998357 1098741773 /nfs/dbraw/zinc/74/17/73/1098741773.db2.gz JIJDZJXTOPUXSA-UHFFFAOYSA-N 1 0 319.408 3.351 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@H]3[NH2+]C[C@H]3C2)cc1Cl ZINC001235030109 1098759232 /nfs/dbraw/zinc/75/92/32/1098759232.db2.gz GEAUKUQLOHYIPP-SWLSCSKDSA-N 1 0 308.853 3.137 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156559 1098842575 /nfs/dbraw/zinc/84/25/75/1098842575.db2.gz HHECKDBDDJXIKL-INIZCTEOSA-N 1 0 310.388 3.025 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209377 1098879414 /nfs/dbraw/zinc/87/94/14/1098879414.db2.gz NIZVFGLVBAEMML-QUCCMNQESA-N 1 0 309.457 3.278 20 10 DGCDRO CC(C)[C@@H]1CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[NH2+]1 ZINC001235475538 1099058559 /nfs/dbraw/zinc/05/85/59/1099058559.db2.gz ULJBMURBZODWLO-INIZCTEOSA-N 1 0 316.445 3.006 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1F ZINC001179347835 1099064276 /nfs/dbraw/zinc/06/42/76/1099064276.db2.gz FWJRSTPAVSNGMR-LTFPAQTLSA-N 1 0 318.436 3.185 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235681781 1099124058 /nfs/dbraw/zinc/12/40/58/1099124058.db2.gz KUWMRRZCTWRUEB-GOSISDBHSA-N 1 0 305.418 3.217 20 10 DGCDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1O ZINC001235680590 1099124797 /nfs/dbraw/zinc/12/47/97/1099124797.db2.gz WFGPDEZNDGZZLY-INIZCTEOSA-N 1 0 307.434 3.319 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC001235735585 1099154207 /nfs/dbraw/zinc/15/42/07/1099154207.db2.gz IGBKRPDAIBGTOC-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC001235741356 1099158333 /nfs/dbraw/zinc/15/83/33/1099158333.db2.gz FHMKTXTZWVOOLD-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO Cc1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)o1 ZINC001179755772 1099200517 /nfs/dbraw/zinc/20/05/17/1099200517.db2.gz SJIIJLXMAATIQA-LJQANCHMSA-N 1 0 315.461 3.355 20 10 DGCDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001179909945 1099256260 /nfs/dbraw/zinc/25/62/60/1099256260.db2.gz XTYPCRFWQCZEBD-INIZCTEOSA-N 1 0 320.433 3.226 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236060853 1099361714 /nfs/dbraw/zinc/36/17/14/1099361714.db2.gz SBOJXNUWLKEKFJ-OALUTQOASA-N 1 0 309.457 3.278 20 10 DGCDRO Nc1ccc(CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)cc1 ZINC001236093650 1099382034 /nfs/dbraw/zinc/38/20/34/1099382034.db2.gz VUWDRIVBESVLDL-OAQYLSRUSA-N 1 0 321.468 3.464 20 10 DGCDRO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236106983 1099395773 /nfs/dbraw/zinc/39/57/73/1099395773.db2.gz LZLHPJDEXJTKBC-ZIAGYGMSSA-N 1 0 314.404 3.381 20 10 DGCDRO CCC[C@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC001180429535 1099403057 /nfs/dbraw/zinc/40/30/57/1099403057.db2.gz CLLLVBQQDWXBQU-SJORKVTESA-N 1 0 307.434 3.188 20 10 DGCDRO CCc1ccc(CN2CC[NH2+]C[C@H]2c2cccs2)c(O)c1 ZINC001236117287 1099406228 /nfs/dbraw/zinc/40/62/28/1099406228.db2.gz SGTLHGNWIUJZNQ-HNNXBMFYSA-N 1 0 302.443 3.163 20 10 DGCDRO CCN(CC)c1ccc(CN(C)[C@H]2CCCC[C@@H]2[NH3+])c(OC)c1 ZINC001236219423 1099476171 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COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237050578 1099945616 /nfs/dbraw/zinc/94/56/16/1099945616.db2.gz CLFBULSEIHDSFX-CQSZACIVSA-N 1 0 305.418 3.291 20 10 DGCDRO CCC[NH+]1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237080941 1099958274 /nfs/dbraw/zinc/95/82/74/1099958274.db2.gz HZZLMKVKQCBPFZ-UHFFFAOYSA-N 1 0 303.233 3.227 20 10 DGCDRO C[C@@H]1CN(Cc2c(O)ccc(Cl)c2Cl)C[C@H](C)[N@H+]1C ZINC001237084067 1099962610 /nfs/dbraw/zinc/96/26/10/1099962610.db2.gz HASUXDZIBKLNQF-AOOOYVTPSA-N 1 0 303.233 3.223 20 10 DGCDRO C[N@H+](C1CC1)C1CCN(Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237127604 1099984213 /nfs/dbraw/zinc/98/42/13/1099984213.db2.gz DMMMNBWDIFEZIH-UHFFFAOYSA-N 1 0 312.816 3.243 20 10 DGCDRO OC[C@@]1(F)CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237138163 1099988309 /nfs/dbraw/zinc/98/83/09/1099988309.db2.gz USGBMGPTTBIBJM-CQSZACIVSA-N 1 0 321.314 3.098 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)CCC[C@@H]1O ZINC001237138690 1099990862 /nfs/dbraw/zinc/99/08/62/1099990862.db2.gz XXLLJDWBHNAHDK-GWCFXTLKSA-N 1 0 303.324 3.004 20 10 DGCDRO CO[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@H]1C ZINC000691679494 1100022795 /nfs/dbraw/zinc/02/27/95/1100022795.db2.gz SEFGXKSTJGWWJK-QMTHXVAHSA-N 1 0 314.223 3.012 20 10 DGCDRO CC[N@H+](Cc1[nH]nc2cc(OC)ccc21)Cc1ccccc1O ZINC001237387047 1100105272 /nfs/dbraw/zinc/10/52/72/1100105272.db2.gz BSNOHYOOZIATCQ-UHFFFAOYSA-N 1 0 311.385 3.299 20 10 DGCDRO COc1ccc(CC[N@H+](C)Cc2c(C)cccc2O)cc1OC ZINC001237483685 1100138819 /nfs/dbraw/zinc/13/88/19/1100138819.db2.gz QWNOIAJBTHIFBF-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO COc1ccccc1N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237481690 1100139297 /nfs/dbraw/zinc/13/92/97/1100139297.db2.gz HRNVIOHYGSDBQB-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001237486339 1100139961 /nfs/dbraw/zinc/13/99/61/1100139961.db2.gz QQLMVNHSQHTULY-UHFFFAOYSA-N 1 0 320.433 3.143 20 10 DGCDRO Cc1cccc(O[C@H]2CCC[N@H+](Cc3c(C)cccc3O)C2)n1 ZINC001237494188 1100144848 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ZINC001237676549 1100210757 /nfs/dbraw/zinc/21/07/57/1100210757.db2.gz KPDNVUTWFZYYFV-UHFFFAOYSA-N 1 0 314.223 3.074 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCOC2)cc1Br ZINC001237684183 1100214917 /nfs/dbraw/zinc/21/49/17/1100214917.db2.gz HPBCBLIVUAFZLJ-LBPRGKRZSA-N 1 0 314.223 3.074 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001237939700 1100298711 /nfs/dbraw/zinc/29/87/11/1100298711.db2.gz ZZPUVBYCXHXGSM-UHFFFAOYSA-N 1 0 324.827 3.102 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cc(F)cc(C)c2O)cc(OC)c1 ZINC001238063544 1100348760 /nfs/dbraw/zinc/34/87/60/1100348760.db2.gz YIFULVHOQRMWFO-UHFFFAOYSA-N 1 0 319.376 3.489 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001191289957 1100444169 /nfs/dbraw/zinc/44/41/69/1100444169.db2.gz WFQPOTYZJHHEMS-UHFFFAOYSA-N 1 0 320.433 3.224 20 10 DGCDRO CC1(C)CO[C@@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC001192012751 1100561347 /nfs/dbraw/zinc/56/13/47/1100561347.db2.gz JXWSEVNAYDYOAR-DLBZAZTESA-N 1 0 319.445 3.188 20 10 DGCDRO Cn1ccc2ccc(-c3cncc(OCC[NH+]4CCCC4)n3)cc21 ZINC001240571186 1101055112 /nfs/dbraw/zinc/05/51/12/1101055112.db2.gz HIBAXVVUNBQPHU-UHFFFAOYSA-N 1 0 322.412 3.110 20 10 DGCDRO Cn1ccc2ccc(-c3ccc(N4CC[C@H]([NH+](C)C)C4)nc3)cc21 ZINC001240574931 1101055486 /nfs/dbraw/zinc/05/54/86/1101055486.db2.gz KWEKXMLWFHZUKM-SFHVURJKSA-N 1 0 320.440 3.381 20 10 DGCDRO C[NH+](C)CCNC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195255918 1101106653 /nfs/dbraw/zinc/10/66/53/1101106653.db2.gz WUTLFGATKCODAF-FMQUCBEESA-N 1 0 312.373 3.099 20 10 DGCDRO COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)cc1C ZINC001198230041 1101790429 /nfs/dbraw/zinc/79/04/29/1101790429.db2.gz NOJQPELZODUGDU-LJQANCHMSA-N 1 0 317.404 3.226 20 10 DGCDRO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cccc(C)c2O)C1=O ZINC001273770436 1101955182 /nfs/dbraw/zinc/95/51/82/1101955182.db2.gz QWZGIBMOTWJSCB-KXBFYZLASA-N 1 0 316.445 3.066 20 10 DGCDRO CC[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001199821873 1102225491 /nfs/dbraw/zinc/22/54/91/1102225491.db2.gz BAKMXZTZHBJILG-WMZOPIPTSA-N 1 0 302.462 3.364 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CCCSC)C1 ZINC001201692380 1102708387 /nfs/dbraw/zinc/70/83/87/1102708387.db2.gz XHKMXWUGPOTOIG-UHFFFAOYSA-N 1 0 304.459 3.298 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)cc1 ZINC001325928099 1103166600 /nfs/dbraw/zinc/16/66/00/1103166600.db2.gz HIQKJTOINWSISJ-LJQANCHMSA-N 1 0 304.478 3.373 20 10 DGCDRO CC(C)[C@]1(CO)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001326636962 1103393523 /nfs/dbraw/zinc/39/35/23/1103393523.db2.gz LCCUILCKNQPZJW-ZMBJWTFHSA-N 1 0 302.462 3.106 20 10 DGCDRO Oc1cccc(F)c1CN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276358789 1103531313 /nfs/dbraw/zinc/53/13/13/1103531313.db2.gz AXNNDNYRNHFSCA-UHFFFAOYSA-N 1 0 318.436 3.372 20 10 DGCDRO Cc1cc(C)c(CN2CC3(C2)C[NH+](C2CCCC2)C3)c(O)c1 ZINC001276365095 1103561627 /nfs/dbraw/zinc/56/16/27/1103561627.db2.gz KYWABAIFVVALHM-UHFFFAOYSA-N 1 0 300.446 3.069 20 10 DGCDRO CN1CCN(c2ccc(C[N@@H+]3CCC34CCCC4)cc2F)CC1 ZINC001327304304 1103620069 /nfs/dbraw/zinc/62/00/69/1103620069.db2.gz DOLNMRCIPDCALI-UHFFFAOYSA-N 1 0 317.452 3.096 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCCc2nc(C)cs2)c1O ZINC001328728549 1104043221 /nfs/dbraw/zinc/04/32/21/1104043221.db2.gz UBPJSIIJRZQXAK-GFCCVEGCSA-N 1 0 306.431 3.449 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C2CC3(CC3(F)F)C2)cc1F ZINC001328782005 1104067856 /nfs/dbraw/zinc/06/78/56/1104067856.db2.gz ARHZJQMNFSGQKN-UHFFFAOYSA-N 1 0 302.315 3.308 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001329078614 1104145565 /nfs/dbraw/zinc/14/55/65/1104145565.db2.gz NZHQUPSIGSOZLX-QGZVFWFLSA-N 1 0 314.429 3.028 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001329078612 1104145576 /nfs/dbraw/zinc/14/55/76/1104145576.db2.gz NZHQUPSIGSOZLX-KRWDZBQOSA-N 1 0 314.429 3.028 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1O ZINC001329674532 1104364271 /nfs/dbraw/zinc/36/42/71/1104364271.db2.gz FQFOLONSAJZGCX-NEPJUHHUSA-N 1 0 309.406 3.172 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccccc2N2CCCC2)c1O ZINC001329770681 1104383945 /nfs/dbraw/zinc/38/39/45/1104383945.db2.gz ITANZOGXLSBQES-UHFFFAOYSA-N 1 0 312.413 3.291 20 10 DGCDRO Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(N)cc2)CCN1 ZINC001246169719 1104416945 /nfs/dbraw/zinc/41/69/45/1104416945.db2.gz JFXJXALBIGKRDS-HKUYNNGSSA-N 1 0 313.420 3.299 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246525852 1104577127 /nfs/dbraw/zinc/57/71/27/1104577127.db2.gz OJAFNCRIJAZNFW-GLJUWKHASA-N 1 0 302.462 3.363 20 10 DGCDRO CCOc1cccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)nc21 ZINC001247017913 1104779995 /nfs/dbraw/zinc/77/99/95/1104779995.db2.gz RTKFCBGLXHPTPK-UHFFFAOYSA-N 1 0 322.412 3.038 20 10 DGCDRO CCn1c2ccc(C)cc2nc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001247042903 1104783932 /nfs/dbraw/zinc/78/39/32/1104783932.db2.gz BDFMHIDGZDYMOJ-UHFFFAOYSA-N 1 0 320.440 3.441 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC001247789312 1104983079 /nfs/dbraw/zinc/98/30/79/1104983079.db2.gz VERAJCNSCFZXQH-OAHLLOKOSA-N 1 0 308.385 3.221 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C=CC[NH2+]3)n2)cc1 ZINC001248228957 1105075536 /nfs/dbraw/zinc/07/55/36/1105075536.db2.gz MVBKUYCJFVMALP-INIZCTEOSA-N 1 0 306.369 3.345 20 10 DGCDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883772 1105186806 /nfs/dbraw/zinc/18/68/06/1105186806.db2.gz PZQJYFQWAIBIDQ-STQMWFEESA-N 1 0 308.853 3.231 20 10 DGCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(C)cc2)c(O)c1 ZINC001249201321 1105246051 /nfs/dbraw/zinc/24/60/51/1105246051.db2.gz OMZQOWFLUOGJEP-UHFFFAOYSA-N 1 0 313.397 3.048 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCCC1=O ZINC001249223446 1105249527 /nfs/dbraw/zinc/24/95/27/1105249527.db2.gz GPZZKZJBLJDXNT-ZDUSSCGKSA-N 1 0 315.413 3.377 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@H+]3[C@@H]4CC[C@H]3CC(=O)C4)ccc2O1 ZINC001249230765 1105252482 /nfs/dbraw/zinc/25/24/82/1105252482.db2.gz SWQJHLYJAIWQLO-OKILXGFUSA-N 1 0 313.397 3.272 20 10 DGCDRO COC(=O)c1c(Cl)cccc1C[N@H+](C)Cc1ccccc1O ZINC001249645787 1105341367 /nfs/dbraw/zinc/34/13/67/1105341367.db2.gz NRFGQQDDJNHWMV-UHFFFAOYSA-N 1 0 319.788 3.464 20 10 DGCDRO CCN1CCc2ccc(C[N@@H+]3CCc4cccc(O)c4C3)cc21 ZINC001249670727 1105350287 /nfs/dbraw/zinc/35/02/87/1105350287.db2.gz AWQUCXCXBQNFNZ-UHFFFAOYSA-N 1 0 308.425 3.333 20 10 DGCDRO CC[N@H+](Cc1cnc(Cl)c(OC)c1)Cc1ccccc1O ZINC001249930954 1105408755 /nfs/dbraw/zinc/40/87/55/1105408755.db2.gz CBVMSBQVVXHXOJ-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO CC[NH+]1CCN(c2ccc(Cc3ccc(N(C)C)cc3)cc2)CC1 ZINC001250432120 1105514800 /nfs/dbraw/zinc/51/48/00/1105514800.db2.gz VQAHRKNPMNNXKU-UHFFFAOYSA-N 1 0 323.484 3.485 20 10 DGCDRO CCCC[C@@H](CC)COC[C@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001253033553 1105880586 /nfs/dbraw/zinc/88/05/86/1105880586.db2.gz ZZXGFWBESPRXAK-SJLPKXTDSA-N 1 0 323.477 3.384 20 10 DGCDRO CC[NH+](CC)C[C@@H](O)CNc1cccc2c1C(=O)c1ccccc1-2 ZINC001253199148 1105901969 /nfs/dbraw/zinc/90/19/69/1105901969.db2.gz RMXCYTSRDLRUDI-AWEZNQCLSA-N 1 0 324.424 3.013 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)CCOCc1ccccc1)c1ccccc1O ZINC001253295355 1105921374 /nfs/dbraw/zinc/92/13/74/1105921374.db2.gz YXPCELQOIFNYBM-NVXWUHKLSA-N 1 0 315.413 3.011 20 10 DGCDRO CCCCC[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC001253557905 1105958368 /nfs/dbraw/zinc/95/83/68/1105958368.db2.gz PRNKKLSBXTUQNI-ZDUSSCGKSA-N 1 0 316.239 3.186 20 10 DGCDRO C[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC001254017957 1106010389 /nfs/dbraw/zinc/01/03/89/1106010389.db2.gz APRKXNIEHRSJDR-CYBMUJFWSA-N 1 0 305.805 3.429 20 10 DGCDRO Cc1cc(C)c(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(O)c1 ZINC001254585228 1106109293 /nfs/dbraw/zinc/10/92/93/1106109293.db2.gz LWVDAJKUOYFMFU-HNNXBMFYSA-N 1 0 312.369 3.174 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254963016 1106160894 /nfs/dbraw/zinc/16/08/94/1106160894.db2.gz GIPHTCKAFXMDPT-HZPDHXFCSA-N 1 0 300.446 3.332 20 10 DGCDRO CCCC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001255334456 1106225257 /nfs/dbraw/zinc/22/52/57/1106225257.db2.gz RJCPDYCIHFAZRS-OAHLLOKOSA-N 1 0 306.450 3.405 20 10 DGCDRO Oc1ccc(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1O ZINC001255690088 1106295384 /nfs/dbraw/zinc/29/53/84/1106295384.db2.gz PVISJCOKDLZDFB-RYUDHWBXSA-N 1 0 303.324 3.351 20 10 DGCDRO Oc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1O ZINC001255690089 1106295722 /nfs/dbraw/zinc/29/57/22/1106295722.db2.gz PVISJCOKDLZDFB-VXGBXAGGSA-N 1 0 303.324 3.351 20 10 DGCDRO Oc1cccc2c1CN([C@H]1CCC[N@@H+](C3CCCC3)C1)CC2 ZINC001256923252 1106512922 /nfs/dbraw/zinc/51/29/22/1106512922.db2.gz QAQPCUBAUNPGDM-KRWDZBQOSA-N 1 0 300.446 3.157 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001257042371 1106528216 /nfs/dbraw/zinc/52/82/16/1106528216.db2.gz NYZYNPAUKCJUKA-WBVHZDCISA-N 1 0 313.397 3.367 20 10 DGCDRO CCCCOC(=O)CC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001257377752 1106576741 /nfs/dbraw/zinc/57/67/41/1106576741.db2.gz DXIQXZRTNVFZNY-AWEZNQCLSA-N 1 0 305.418 3.223 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CCCSC3)CC2)cc1 ZINC001257682916 1106621318 /nfs/dbraw/zinc/62/13/18/1106621318.db2.gz KRJRZECSMDLIAV-MRXNPFEDSA-N 1 0 306.475 3.103 20 10 DGCDRO COC(=O)C1CCC([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001257858991 1106635722 /nfs/dbraw/zinc/63/57/22/1106635722.db2.gz ZNYSDZMAKXJMSY-UHFFFAOYSA-N 1 0 313.397 3.367 20 10 DGCDRO CCOC(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001258475085 1106770602 /nfs/dbraw/zinc/77/06/02/1106770602.db2.gz AFLGMELHDMTEAF-HNNXBMFYSA-N 1 0 304.434 3.108 20 10 DGCDRO Oc1cccc2c1C[N@@H+](C1CCN(c3ccccc3)CC1)CC2 ZINC001258515015 1106792959 /nfs/dbraw/zinc/79/29/59/1106792959.db2.gz CIQJQHQOZRWZDY-UHFFFAOYSA-N 1 0 308.425 3.419 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC001320130705 1106890720 /nfs/dbraw/zinc/89/07/20/1106890720.db2.gz AXVXCIXOBXBGKV-CUYVQJCZSA-N 1 0 317.429 3.177 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCC[C@H](C)C2)c(O)c1C ZINC001320132233 1106891421 /nfs/dbraw/zinc/89/14/21/1106891421.db2.gz IYIXZYATUNYZMZ-BBRMVZONSA-N 1 0 318.461 3.308 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC001320244091 1106936499 /nfs/dbraw/zinc/93/64/99/1106936499.db2.gz AFIREOXIVSEHCE-NYTXWWLZSA-N 1 0 300.446 3.464 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001320253024 1106938750 /nfs/dbraw/zinc/93/87/50/1106938750.db2.gz OFDQYAKVDGEKEG-HUUCEWRRSA-N 1 0 318.461 3.487 20 10 DGCDRO CNC(=O)C1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001320249378 1106938866 /nfs/dbraw/zinc/93/88/66/1106938866.db2.gz YJCUZDKUWFVNMD-VXGQWTEUSA-N 1 0 316.445 3.143 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCO[C@@H]1CCOC1 ZINC001320247334 1106938937 /nfs/dbraw/zinc/93/89/37/1106938937.db2.gz QLKMGXGRZOPEJQ-KFWWJZLASA-N 1 0 305.418 3.034 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)CO[C@H]1CCOC1 ZINC001321024800 1107225915 /nfs/dbraw/zinc/22/59/15/1107225915.db2.gz VWGRKGKLUXNEJG-QPSCCSFWSA-N 1 0 305.418 3.033 20 10 DGCDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001321650994 1107404960 /nfs/dbraw/zinc/40/49/60/1107404960.db2.gz RUQWAAJLISPWDS-MRXNPFEDSA-N 1 0 312.461 3.218 20 10 DGCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001261787872 1107529190 /nfs/dbraw/zinc/52/91/90/1107529190.db2.gz DMPUJWJGDMFDGD-ZBEGNZNMSA-N 1 0 324.371 3.226 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2CCCC[C@H]2N(C)C)ccc1OC ZINC001322714455 1107743386 /nfs/dbraw/zinc/74/33/86/1107743386.db2.gz QSWHLIHMPVJDCM-ZWKOTPCHSA-N 1 0 320.477 3.194 20 10 DGCDRO OC[C@H]([C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1)C1CC1 ZINC001324376639 1108269486 /nfs/dbraw/zinc/26/94/86/1108269486.db2.gz CHJRCSAMOOVLPC-PMACEKPBSA-N 1 0 314.473 3.174 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC001325341360 1108626201 /nfs/dbraw/zinc/62/62/01/1108626201.db2.gz VHKKEMWUOWGOBU-NUTKFTJISA-N 1 0 323.440 3.494 20 10 DGCDRO CC(C)O[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000701730236 1108981373 /nfs/dbraw/zinc/98/13/73/1108981373.db2.gz VDKVQYOYXMMPTD-ZDUSSCGKSA-N 1 0 314.223 3.154 20 10 DGCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001304090077 1111165786 /nfs/dbraw/zinc/16/57/86/1111165786.db2.gz XILKWSJLWZRTEL-OKILXGFUSA-N 1 0 312.413 3.034 20 10 DGCDRO C[C@@H]1CCCN(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308200135 1111396077 /nfs/dbraw/zinc/39/60/77/1111396077.db2.gz UZPRZFVOCYFIKE-BBOMDTFKSA-N 1 0 301.478 3.087 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCCC[C@@H]1C ZINC001308201346 1111396495 /nfs/dbraw/zinc/39/64/95/1111396495.db2.gz CTBCWRJLQQEYJU-GJZGRUSLSA-N 1 0 307.457 3.244 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cccc4nsnc43)ccc21 ZINC001308229490 1111401381 /nfs/dbraw/zinc/40/13/81/1111401381.db2.gz DBXLINJXEGGOOL-UHFFFAOYSA-N 1 0 324.453 3.364 20 10 DGCDRO C[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001308249761 1111404648 /nfs/dbraw/zinc/40/46/48/1111404648.db2.gz LNOGHAMMCBLTFN-ZDUSSCGKSA-N 1 0 316.367 3.344 20 10 DGCDRO CCCC[C@@H](COC)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001308278063 1111410020 /nfs/dbraw/zinc/41/00/20/1111410020.db2.gz XKCVUSVFNDLHKW-ZDUSSCGKSA-N 1 0 300.393 3.326 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C(=O)N(C)CC)C(C)C)cc1C ZINC001308412297 1111426647 /nfs/dbraw/zinc/42/66/47/1111426647.db2.gz XEFNHWWQJRIIIK-SFHVURJKSA-N 1 0 320.477 3.376 20 10 DGCDRO COC(=O)c1csc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001308558532 1111444005 /nfs/dbraw/zinc/44/40/05/1111444005.db2.gz RMFALWUIIJWARP-UHFFFAOYSA-N 1 0 318.442 3.233 20 10 DGCDRO Cc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001308851422 1111484608 /nfs/dbraw/zinc/48/46/08/1111484608.db2.gz KXHWYDUTFOXHOA-UKRRQHHQSA-N 1 0 305.418 3.395 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c1O ZINC001308870218 1111487163 /nfs/dbraw/zinc/48/71/63/1111487163.db2.gz YBMXWWGCKAYNOD-MRXNPFEDSA-N 1 0 301.361 3.187 20 10 DGCDRO COC(=O)C[C@](C)([NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC001308908101 1111492217 /nfs/dbraw/zinc/49/22/17/1111492217.db2.gz WMBDLUUJGMPVQC-UEKDZROGSA-N 1 0 316.445 3.087 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+]C2CC3(CCC3)C2)N(C)C)cc1 ZINC001308973137 1111502470 /nfs/dbraw/zinc/50/24/70/1111502470.db2.gz VWWNWJCRFWHXSP-GOSISDBHSA-N 1 0 301.478 3.278 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H]2C[C@@H]2C2CCCC2)cc1OC ZINC001308983969 1111505346 /nfs/dbraw/zinc/50/53/46/1111505346.db2.gz KRKPMHUOCBEQKW-UKRRQHHQSA-N 1 0 305.418 3.325 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@H]2CC(C)(C)CO2)cc1F ZINC001621067654 1193798208 /nfs/dbraw/zinc/79/82/08/1193798208.db2.gz RVFIZRPIXBLUEV-CYBMUJFWSA-N 1 0 312.404 3.326 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000103855000 432013099 /nfs/dbraw/zinc/01/30/99/432013099.db2.gz KCRGDHPHKLFOER-INIZCTEOSA-N 1 0 300.402 3.220 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000164964485 432052426 /nfs/dbraw/zinc/05/24/26/432052426.db2.gz HJVNWVRJQHKTRN-OAHLLOKOSA-N 1 0 311.429 3.432 20 10 DGCDRO COCC[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000179560462 432063086 /nfs/dbraw/zinc/06/30/86/432063086.db2.gz XFXXNRSKRNHFEX-UHFFFAOYSA-N 1 0 301.386 3.049 20 10 DGCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000179755844 432070459 /nfs/dbraw/zinc/07/04/59/432070459.db2.gz HYEIOFBPYDPRKW-GFCCVEGCSA-N 1 0 307.781 3.117 20 10 DGCDRO C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000278420781 296120770 /nfs/dbraw/zinc/12/07/70/296120770.db2.gz INWNBUCAHVPLGD-LLVKDONJSA-N 1 0 310.388 3.195 20 10 DGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000190219209 432133794 /nfs/dbraw/zinc/13/37/94/432133794.db2.gz MMFCVIJXAZAPEY-MRXNPFEDSA-N 1 0 313.825 3.039 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C(C)C ZINC000268841724 432144605 /nfs/dbraw/zinc/14/46/05/432144605.db2.gz NLVWQTMJOXCERE-LJQANCHMSA-N 1 0 304.478 3.420 20 10 DGCDRO O=C1CCC(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000290069095 296315852 /nfs/dbraw/zinc/31/58/52/296315852.db2.gz PXGJSSHRRJRLPY-GOSISDBHSA-N 1 0 317.429 3.133 20 10 DGCDRO COC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)C1CCOCC1 ZINC000358998730 533092363 /nfs/dbraw/zinc/09/23/63/533092363.db2.gz YHKGSSXDLVMAMU-KRWDZBQOSA-N 1 0 316.445 3.018 20 10 DGCDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000272483882 130034669 /nfs/dbraw/zinc/03/46/69/130034669.db2.gz RZBIORLNMYCTQL-IBGZPJMESA-N 1 0 317.477 3.057 20 10 DGCDRO C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccccc1O ZINC000272846929 130068973 /nfs/dbraw/zinc/06/89/73/130068973.db2.gz KLKKSCDLNRYNFR-OAHLLOKOSA-N 1 0 310.441 3.142 20 10 DGCDRO CCOCc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)ccc1OC ZINC000273167535 130094601 /nfs/dbraw/zinc/09/46/01/130094601.db2.gz VFRKSPMSIJHTHJ-RTBURBONSA-N 1 0 319.445 3.279 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273449167 130123507 /nfs/dbraw/zinc/12/35/07/130123507.db2.gz FONMVEDPLFZMCT-XJKSGUPXSA-N 1 0 303.377 3.094 20 10 DGCDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273486763 130127449 /nfs/dbraw/zinc/12/74/49/130127449.db2.gz NHVYBQDZANUGEQ-SQHYZVFZSA-N 1 0 309.475 3.079 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c(O)c1C ZINC000273490569 130128155 /nfs/dbraw/zinc/12/81/55/130128155.db2.gz OEOKPXCUMVNUBG-JKSUJKDBSA-N 1 0 311.429 3.334 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(Br)cc1O ZINC000273522848 130132085 /nfs/dbraw/zinc/13/20/85/130132085.db2.gz UQJAPYAGIBGWEF-CKYFFXLPSA-N 1 0 314.223 3.373 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000273548803 130135261 /nfs/dbraw/zinc/13/52/61/130135261.db2.gz ZXICVYUDXANHBG-ZBEGNZNMSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1cc(Br)ccc1O ZINC000273545446 130135592 /nfs/dbraw/zinc/13/55/92/130135592.db2.gz ZGSZOZNNZUTZMU-WDEREUQCSA-N 1 0 316.239 3.214 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCN(C)CC(F)(F)F)c(O)c1C ZINC000273610844 130143426 /nfs/dbraw/zinc/14/34/26/130143426.db2.gz VTIJERXHOZLFRR-LBPRGKRZSA-N 1 0 304.356 3.154 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1O ZINC000273692956 130153959 /nfs/dbraw/zinc/15/39/59/130153959.db2.gz BOQYNNNJIMSVIN-CYBMUJFWSA-N 1 0 311.809 3.246 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)[C@]12CCCO2 ZINC000274120551 130208486 /nfs/dbraw/zinc/20/84/86/130208486.db2.gz AJZJCTXAVKGPIK-ITQYTPKQSA-N 1 0 319.445 3.386 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccccc1O ZINC000274736606 130257859 /nfs/dbraw/zinc/25/78/59/130257859.db2.gz DHTWYJNTNPULFB-DOTOQJQBSA-N 1 0 303.377 3.176 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2nccn2C)c1O ZINC000275376094 130310991 /nfs/dbraw/zinc/31/09/91/130310991.db2.gz WSFXMNMBTXFYGP-SNVBAGLBSA-N 1 0 324.222 3.047 20 10 DGCDRO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cc(F)ccc1O ZINC000284527183 131089473 /nfs/dbraw/zinc/08/94/73/131089473.db2.gz ZRMQKHPXRNCUEG-VIFPVBQESA-N 1 0 312.291 3.379 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1O ZINC000284632781 131098561 /nfs/dbraw/zinc/09/85/61/131098561.db2.gz NHUCQWUHBHOZCJ-YJBOKZPZSA-N 1 0 315.417 3.098 20 10 DGCDRO C[C@H]([NH2+]Cc1cnnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000287233675 131269982 /nfs/dbraw/zinc/26/99/82/131269982.db2.gz GWCUUHDGVVNWMG-HNNXBMFYSA-N 1 0 313.449 3.046 20 10 DGCDRO CC[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000287677331 131294551 /nfs/dbraw/zinc/29/45/51/131294551.db2.gz MLKVMVIBZGABNX-IUODEOHRSA-N 1 0 313.825 3.282 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COc3ccccc32)cc1F ZINC000288406858 131323763 /nfs/dbraw/zinc/32/37/63/131323763.db2.gz AFTCKKLPVQKTSE-AWEZNQCLSA-N 1 0 300.377 3.158 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c(O)c1 ZINC000288557535 131331223 /nfs/dbraw/zinc/33/12/23/131331223.db2.gz MAMYWGZFIRJZCJ-KUHUBIRLSA-N 1 0 315.413 3.393 20 10 DGCDRO CCC[N@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccccc1O ZINC000289368179 131380139 /nfs/dbraw/zinc/38/01/39/131380139.db2.gz OTVSZNRGYIQJPH-GFCCVEGCSA-N 1 0 306.431 3.314 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c1O ZINC000289456617 131387651 /nfs/dbraw/zinc/38/76/51/131387651.db2.gz NVBANUBFRDEBAI-UHFFFAOYSA-N 1 0 313.397 3.404 20 10 DGCDRO Cc1nnc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)s1 ZINC000289807425 131418124 /nfs/dbraw/zinc/41/81/24/131418124.db2.gz LKIZXWWZENFBCT-UHFFFAOYSA-N 1 0 316.474 3.169 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)CCC[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000295142460 131886274 /nfs/dbraw/zinc/88/62/74/131886274.db2.gz BULWIQWPTNSKAL-GFCCVEGCSA-N 1 0 317.408 3.090 20 10 DGCDRO CCC[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccccc1O ZINC000299572067 132111861 /nfs/dbraw/zinc/11/18/61/132111861.db2.gz BPTVYUBTJRXLOQ-UHFFFAOYSA-N 1 0 313.357 3.447 20 10 DGCDRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000090952809 400084052 /nfs/dbraw/zinc/08/40/52/400084052.db2.gz UYIANTVNUQJWTQ-VQIMIIECSA-N 1 0 320.477 3.115 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCOC(C)(C)C)CC2)cc1 ZINC000068322629 400252148 /nfs/dbraw/zinc/25/21/48/400252148.db2.gz WIXGANHQIFVVFA-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)cn1 ZINC000083113895 401111010 /nfs/dbraw/zinc/11/10/10/401111010.db2.gz KFFYJXOBQJWASQ-HNNXBMFYSA-N 1 0 321.424 3.344 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086254091 401177061 /nfs/dbraw/zinc/17/70/61/401177061.db2.gz XABHNMZNVWVTGY-INIZCTEOSA-N 1 0 319.836 3.128 20 10 DGCDRO FC(F)Oc1ccc(N2CCC([NH2+]Cc3cc[nH]c3)CC2)cc1 ZINC000086252566 401177289 /nfs/dbraw/zinc/17/72/89/401177289.db2.gz FCQKLKCVWUBWLF-UHFFFAOYSA-N 1 0 321.371 3.375 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000066046894 401291134 /nfs/dbraw/zinc/29/11/34/401291134.db2.gz UDLQDDPOONLEIZ-UHFFFAOYSA-N 1 0 324.424 3.260 20 10 DGCDRO CC[C@@H]([NH2+]C1CCC(C(=O)NC)CC1)c1ccc(N(C)C)cc1 ZINC000269061963 432153061 /nfs/dbraw/zinc/15/30/61/432153061.db2.gz XZDHEEWSMKBYAK-LEOMRAHMSA-N 1 0 317.477 3.098 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1n1ccnc1 ZINC000246773570 432164976 /nfs/dbraw/zinc/16/49/76/432164976.db2.gz PZHIOQPXSALXDU-SWLSCSKDSA-N 1 0 305.809 3.325 20 10 DGCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)o1 ZINC000137064488 432169268 /nfs/dbraw/zinc/16/92/68/432169268.db2.gz YOGBZYMNVUJMJD-OAHLLOKOSA-N 1 0 317.385 3.477 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000269896295 432219903 /nfs/dbraw/zinc/21/99/03/432219903.db2.gz DNGCHOZMEINEGH-QRVBRYPASA-N 1 0 312.457 3.334 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CCOCC1 ZINC000134496096 227041051 /nfs/dbraw/zinc/04/10/51/227041051.db2.gz UYTBPOATMMBDFX-SNVBAGLBSA-N 1 0 314.223 3.059 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1OC ZINC000179598497 228352994 /nfs/dbraw/zinc/35/29/94/228352994.db2.gz SBCMQCHAARZWGO-OAHLLOKOSA-N 1 0 316.401 3.085 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c(O)c1 ZINC000184988850 228387801 /nfs/dbraw/zinc/38/78/01/228387801.db2.gz VHGJXIJJHDAYKI-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185639415 228395096 /nfs/dbraw/zinc/39/50/96/228395096.db2.gz TWYFLIYVLBGTQU-AMIZOPFISA-N 1 0 322.257 3.218 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccc(C)o1 ZINC000185630383 228395314 /nfs/dbraw/zinc/39/53/14/228395314.db2.gz BDKYTQICKQTWOK-IUODEOHRSA-N 1 0 305.374 3.341 20 10 DGCDRO Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000341656214 229101103 /nfs/dbraw/zinc/10/11/03/229101103.db2.gz YXQFLCHMWGJQEW-UHFFFAOYSA-N 1 0 318.380 3.064 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1 ZINC000291653108 274114736 /nfs/dbraw/zinc/11/47/36/274114736.db2.gz URVDAUYQYGECAK-QGZVFWFLSA-N 1 0 319.426 3.040 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccccc1O ZINC000183613157 274523488 /nfs/dbraw/zinc/52/34/88/274523488.db2.gz YAPIDBDMKVXHEM-GRDNDAEWSA-N 1 0 310.397 3.237 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1O ZINC000368236712 276379647 /nfs/dbraw/zinc/37/96/47/276379647.db2.gz VRZQSTGWHLWBTI-MRXNPFEDSA-N 1 0 305.418 3.039 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000289914338 276883411 /nfs/dbraw/zinc/88/34/11/276883411.db2.gz RVBDFNOSNDGBPX-WOJBJXKFSA-N 1 0 310.441 3.008 20 10 DGCDRO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1O ZINC000245551536 278011292 /nfs/dbraw/zinc/01/12/92/278011292.db2.gz BMAMFFRUWVKJKP-KSSFIOAISA-N 1 0 313.397 3.363 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(=O)NC(C)(C)C ZINC000181234576 278364808 /nfs/dbraw/zinc/36/48/08/278364808.db2.gz NJWFXNYZLJONKR-QWHCGFSZSA-N 1 0 314.429 3.499 20 10 DGCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCOC(C)(C)C1 ZINC000291624622 279234312 /nfs/dbraw/zinc/23/43/12/279234312.db2.gz RWOGZJZBIJASHA-CQSZACIVSA-N 1 0 323.433 3.189 20 10 DGCDRO CC(C)n1ncc2cc(C[N@H+](C)Cc3ccccc3O)cnc21 ZINC000111236337 431197762 /nfs/dbraw/zinc/19/77/62/431197762.db2.gz HGJBHQPHOWSQOV-UHFFFAOYSA-N 1 0 310.401 3.350 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(F)c1 ZINC000071004829 431269280 /nfs/dbraw/zinc/26/92/80/431269280.db2.gz DUZNXDSBNPXLFM-UHFFFAOYSA-N 1 0 314.404 3.294 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCCCC1 ZINC000076074234 431525275 /nfs/dbraw/zinc/52/52/75/431525275.db2.gz LIMHURPOIQMMJB-HNNXBMFYSA-N 1 0 304.434 3.005 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCCCNc1ccccn1 ZINC000119027923 431637337 /nfs/dbraw/zinc/63/73/37/431637337.db2.gz AXFRARYNNIYDRZ-UHFFFAOYSA-N 1 0 305.809 3.423 20 10 DGCDRO Cn1cnnc1C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000029539925 431725507 /nfs/dbraw/zinc/72/55/07/431725507.db2.gz IQRKGBQMNZFRBU-UHFFFAOYSA-N 1 0 322.412 3.054 20 10 DGCDRO c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000120781689 431733354 /nfs/dbraw/zinc/73/33/54/431733354.db2.gz GNQRHMABUMRBPU-SFHVURJKSA-N 1 0 312.413 3.283 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000092780973 431912439 /nfs/dbraw/zinc/91/24/39/431912439.db2.gz GLTSBGHMGQDNPD-LJQANCHMSA-N 1 0 300.446 3.288 20 10 DGCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000183222100 432271285 /nfs/dbraw/zinc/27/12/85/432271285.db2.gz VQZHPNOKMDCGED-HNNXBMFYSA-N 1 0 317.477 3.100 20 10 DGCDRO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccccc1O ZINC000183330133 432283830 /nfs/dbraw/zinc/28/38/30/432283830.db2.gz COZBTXDJQYXLFH-KRWDZBQOSA-N 1 0 312.413 3.092 20 10 DGCDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1O ZINC000183455451 432295105 /nfs/dbraw/zinc/29/51/05/432295105.db2.gz GTCRHFJINJXJFT-HNNXBMFYSA-N 1 0 324.424 3.348 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000270606074 432263022 /nfs/dbraw/zinc/26/30/22/432263022.db2.gz BRSAUIUNORJHCH-YOEHRIQHSA-N 1 0 307.434 3.474 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O ZINC000183631407 432311418 /nfs/dbraw/zinc/31/14/18/432311418.db2.gz LKKIGOQOWIENGB-DOTOQJQBSA-N 1 0 324.424 3.092 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000271952788 432432028 /nfs/dbraw/zinc/43/20/28/432432028.db2.gz FATGXXDIXAAZMG-WBVHZDCISA-N 1 0 307.434 3.474 20 10 DGCDRO C[C@H]([NH2+]CCOc1ncccc1F)c1ccc(N(C)C)cc1 ZINC000271554741 432421315 /nfs/dbraw/zinc/42/13/15/432421315.db2.gz VMUHKGWXIOHKBN-ZDUSSCGKSA-N 1 0 303.381 3.016 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1O ZINC000271713670 432423043 /nfs/dbraw/zinc/42/30/43/432423043.db2.gz OTTVJHXODNGPFM-RHSMWYFYSA-N 1 0 319.376 3.012 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1O ZINC000184702839 432423516 /nfs/dbraw/zinc/42/35/16/432423516.db2.gz RGKADWCWVXHXCB-CQSZACIVSA-N 1 0 313.825 3.301 20 10 DGCDRO CCOc1cccc(C[NH2+]CC2([C@H](C)CCO)CCC2)c1O ZINC000271829564 432426023 /nfs/dbraw/zinc/42/60/23/432426023.db2.gz ONGMFZHGKWIJQW-CQSZACIVSA-N 1 0 307.434 3.069 20 10 DGCDRO COc1cc(O)c(C[NH2+]C2CC(c3ccccc3)C2)cc1OC ZINC000271879937 432427061 /nfs/dbraw/zinc/42/70/61/432427061.db2.gz PEWIKIGJALVVMV-UHFFFAOYSA-N 1 0 313.397 3.445 20 10 DGCDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185149095 432471596 /nfs/dbraw/zinc/47/15/96/432471596.db2.gz XDZRIMIDHXBUQF-VHSXEESVSA-N 1 0 302.212 3.088 20 10 DGCDRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185338444 432492743 /nfs/dbraw/zinc/49/27/43/432492743.db2.gz KEBWMMUTYWYGON-GFCCVEGCSA-N 1 0 316.376 3.383 20 10 DGCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1ccccc1O ZINC000193911807 432508354 /nfs/dbraw/zinc/50/83/54/432508354.db2.gz GJZYSXLPRHYIEC-QGZVFWFLSA-N 1 0 312.413 3.171 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1 ZINC000185525399 432509114 /nfs/dbraw/zinc/50/91/14/432509114.db2.gz XFOMPDLSWNJUES-GOEBONIOSA-N 1 0 315.413 3.218 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OC)c2OC)c1 ZINC000185076882 432463960 /nfs/dbraw/zinc/46/39/60/432463960.db2.gz DALCXVLAWCHSQB-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1cc(F)ccc1O ZINC000185105670 432467626 /nfs/dbraw/zinc/46/76/26/432467626.db2.gz PRHOVNCVRMMISX-LBPRGKRZSA-N 1 0 320.433 3.302 20 10 DGCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185129483 432469694 /nfs/dbraw/zinc/46/96/94/432469694.db2.gz YXORFANWWOHOKT-CVEARBPZSA-N 1 0 315.413 3.100 20 10 DGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185129776 432470141 /nfs/dbraw/zinc/47/01/41/432470141.db2.gz VXDPZPWAFMSLNX-JKSUJKDBSA-N 1 0 315.413 3.100 20 10 DGCDRO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1O ZINC000154066200 432470224 /nfs/dbraw/zinc/47/02/24/432470224.db2.gz IJOLHODKAIXZIT-CRAIPNDOSA-N 1 0 324.424 3.407 20 10 DGCDRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(Cl)ccc1O ZINC000186091503 432557628 /nfs/dbraw/zinc/55/76/28/432557628.db2.gz QKYKUFKIIDYWTH-NSHDSACASA-N 1 0 310.825 3.003 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@@H]1Oc1ccccc1 ZINC000186161925 432562882 /nfs/dbraw/zinc/56/28/82/432562882.db2.gz URCUZOJPNNQFTQ-WDSOQIARSA-N 1 0 313.397 3.107 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](OC)C(C)(C)C)CC2)cc1 ZINC000154941805 432530883 /nfs/dbraw/zinc/53/08/83/432530883.db2.gz GUANQMPPGQLZNA-GOSISDBHSA-N 1 0 320.477 3.315 20 10 DGCDRO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155223992 432545256 /nfs/dbraw/zinc/54/52/56/432545256.db2.gz DXRVBJBYAKBLGW-UHFFFAOYSA-N 1 0 311.429 3.343 20 10 DGCDRO CCO[C@H](C[NH2+]Cc1cc(OC)ccc1O)c1ccccc1 ZINC000195190238 432610987 /nfs/dbraw/zinc/61/09/87/432610987.db2.gz DEMSFAYXCPUBLT-GOSISDBHSA-N 1 0 301.386 3.268 20 10 DGCDRO Cc1c(C[NH2+][C@H](C)c2cc(Br)ccc2O)cnn1C ZINC000186187829 432566964 /nfs/dbraw/zinc/56/69/64/432566964.db2.gz WJTDVGUWPASUTG-SECBINFHSA-N 1 0 324.222 3.047 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c(OC)c1 ZINC000273302355 432580232 /nfs/dbraw/zinc/58/02/32/432580232.db2.gz BSPMFZVYDQLAKT-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273463295 432603078 /nfs/dbraw/zinc/60/30/78/432603078.db2.gz IMZFUKAJVSFDHZ-MAUKXSAKSA-N 1 0 324.424 3.152 20 10 DGCDRO CCC[NH+](CCC)CCCC(=O)N(C)Cc1ccccc1O ZINC000264456265 432647619 /nfs/dbraw/zinc/64/76/19/432647619.db2.gz QMXLSDYXYHGMDJ-UHFFFAOYSA-N 1 0 306.450 3.253 20 10 DGCDRO Oc1ccc(F)cc1CN1CCSC[C@@H]1c1nccs1 ZINC000186662884 432619601 /nfs/dbraw/zinc/61/96/01/432619601.db2.gz OIUKRYUSRVIOKE-GFCCVEGCSA-N 1 0 310.419 3.278 20 10 DGCDRO Cc1ccc(O)c(CN2CCSC[C@H]2c2nccs2)c1 ZINC000186662037 432619885 /nfs/dbraw/zinc/61/98/85/432619885.db2.gz QQZYXUZHHAITLS-ZDUSSCGKSA-N 1 0 306.456 3.447 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCn2ccnc2)c1O ZINC000186926768 432638753 /nfs/dbraw/zinc/63/87/53/432638753.db2.gz IBWBBUYQEMNUBH-LLVKDONJSA-N 1 0 324.222 3.010 20 10 DGCDRO COc1ccnc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000264413752 432644908 /nfs/dbraw/zinc/64/49/08/432644908.db2.gz JUQGLGODYHNVQW-UHFFFAOYSA-N 1 0 311.429 3.321 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCc2c[nH]nc2C)cc1 ZINC000177853009 432667822 /nfs/dbraw/zinc/66/78/22/432667822.db2.gz QWABENXYDFLUIC-AWEZNQCLSA-N 1 0 300.450 3.458 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187701382 432677951 /nfs/dbraw/zinc/67/79/51/432677951.db2.gz UPPBXTYMJZSPLP-STQMWFEESA-N 1 0 312.404 3.441 20 10 DGCDRO CC(C)(C)CC[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000187710040 432678596 /nfs/dbraw/zinc/67/85/96/432678596.db2.gz LQHCCHPSEARPSE-UHFFFAOYSA-N 1 0 304.478 3.421 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(OC)cc1 ZINC000236957547 432773508 /nfs/dbraw/zinc/77/35/08/432773508.db2.gz ONZCPBCJCCTCNF-HNNXBMFYSA-N 1 0 315.369 3.370 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cc(F)ccc2OC)c1 ZINC000237206145 432781856 /nfs/dbraw/zinc/78/18/56/432781856.db2.gz UWSQJDHTXDUDBQ-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2O)cc1O ZINC000277260170 432831689 /nfs/dbraw/zinc/83/16/89/432831689.db2.gz QKKBBYSWWJEZBE-ZDUSSCGKSA-N 1 0 301.386 3.217 20 10 DGCDRO CCNC(=O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000268303956 432862841 /nfs/dbraw/zinc/86/28/41/432862841.db2.gz OVNBSUMYBQCXIZ-OAHLLOKOSA-N 1 0 312.413 3.092 20 10 DGCDRO Cc1ccnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000268314218 432863406 /nfs/dbraw/zinc/86/34/06/432863406.db2.gz KYRMECRCIIGMHD-UHFFFAOYSA-N 1 0 315.392 3.102 20 10 DGCDRO COc1c(O)c(C[N@H+](C)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278270288 432890460 /nfs/dbraw/zinc/89/04/60/432890460.db2.gz RRQDXMBMKKICEV-UHFFFAOYSA-N 1 0 316.357 3.249 20 10 DGCDRO Cc1noc(C[C@H]([NH2+]Cc2cccc(C)c2O)c2ccccc2)n1 ZINC000277364520 432842499 /nfs/dbraw/zinc/84/24/99/432842499.db2.gz FJIOWXIWTGYQFB-KRWDZBQOSA-N 1 0 323.396 3.466 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCc3nccn3C2)cc1 ZINC000279008857 432926451 /nfs/dbraw/zinc/92/64/51/432926451.db2.gz SOVSGMZJQMXNPI-JKSUJKDBSA-N 1 0 312.461 3.252 20 10 DGCDRO CSC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000278570282 432896919 /nfs/dbraw/zinc/89/69/19/432896919.db2.gz DPMACXQIKGARJU-UHFFFAOYSA-N 1 0 324.465 3.038 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccnc(N)c1 ZINC000278580226 432897029 /nfs/dbraw/zinc/89/70/29/432897029.db2.gz XZZKBVBGIPKKJB-UHFFFAOYSA-N 1 0 310.445 3.286 20 10 DGCDRO CC(C)[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1 ZINC000278801921 432902716 /nfs/dbraw/zinc/90/27/16/432902716.db2.gz XSHYQJJRLPGMMT-QGZVFWFLSA-N 1 0 315.413 3.043 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)c1O ZINC000278806303 432903037 /nfs/dbraw/zinc/90/30/37/432903037.db2.gz YFQZQEVZRTWXID-OAHLLOKOSA-N 1 0 321.804 3.186 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCc2nnc(C)s2)cc1F ZINC000289778315 432974705 /nfs/dbraw/zinc/97/47/05/432974705.db2.gz JJSGYSPXEKJHCM-UHFFFAOYSA-N 1 0 322.453 3.164 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(C)cc1O ZINC000279968040 432998946 /nfs/dbraw/zinc/99/89/46/432998946.db2.gz CSDFFCAZALBKIV-MRXNPFEDSA-N 1 0 313.401 3.432 20 10 DGCDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000290192153 433008375 /nfs/dbraw/zinc/00/83/75/433008375.db2.gz FZOBUVLYGFIJMM-CYBMUJFWSA-N 1 0 321.442 3.019 20 10 DGCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)c1 ZINC000290928690 433208314 /nfs/dbraw/zinc/20/83/14/433208314.db2.gz ORRZCCRNTRDVSL-MRXNPFEDSA-N 1 0 307.397 3.497 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000374159696 433177072 /nfs/dbraw/zinc/17/70/72/433177072.db2.gz MFUINNOVCCRLKW-XYPHTWIQSA-N 1 0 305.418 3.084 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000290945792 433211606 /nfs/dbraw/zinc/21/16/06/433211606.db2.gz QGGQPZYWUPMDJR-AWEZNQCLSA-N 1 0 321.808 3.088 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000281575817 433315705 /nfs/dbraw/zinc/31/57/05/433315705.db2.gz CWESIHPTQDEOSA-QMTHXVAHSA-N 1 0 311.809 3.248 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(=O)N1CCCC1 ZINC000281546049 433308569 /nfs/dbraw/zinc/30/85/69/433308569.db2.gz ZPGLTCQNPBKDDU-HNNXBMFYSA-N 1 0 324.424 3.160 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1 ZINC000281828562 433397258 /nfs/dbraw/zinc/39/72/58/433397258.db2.gz XPFQHIHHARPQRM-FQEVSTJZSA-N 1 0 310.441 3.066 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000268949426 290011192 /nfs/dbraw/zinc/01/11/92/290011192.db2.gz VFIMCZSFNPLOGK-BHYGNILZSA-N 1 0 317.477 3.050 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1O ZINC000292796031 433595846 /nfs/dbraw/zinc/59/58/46/433595846.db2.gz MWHHQNLLOJRYOT-MRXNPFEDSA-N 1 0 305.418 3.039 20 10 DGCDRO Cc1noc(C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000293491393 433757735 /nfs/dbraw/zinc/75/77/35/433757735.db2.gz NAUVSDQSXQRKQE-UHFFFAOYSA-N 1 0 314.433 3.132 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000293663490 433820693 /nfs/dbraw/zinc/82/06/93/433820693.db2.gz IVSSBKLFKMQWJL-RYUDHWBXSA-N 1 0 312.841 3.249 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCC2(O)CCC2)c(C(F)(F)F)c1 ZINC000284180891 433856219 /nfs/dbraw/zinc/85/62/19/433856219.db2.gz XQNCBXCAWXMSEA-UHFFFAOYSA-N 1 0 316.367 3.166 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c(O)c1 ZINC000293771085 433861117 /nfs/dbraw/zinc/86/11/17/433861117.db2.gz PPJQLAFFSGLLFD-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO COC1(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CCC1 ZINC000293900805 433918001 /nfs/dbraw/zinc/91/80/01/433918001.db2.gz WANLYELFOSDMKW-INIZCTEOSA-N 1 0 318.461 3.133 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1[O-] ZINC000285791347 434066762 /nfs/dbraw/zinc/06/67/62/434066762.db2.gz USHYUERWQUBCDO-HUUCEWRRSA-N 1 0 303.381 3.383 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(OCC3CC3)CC2)cc1F ZINC000378344254 434145809 /nfs/dbraw/zinc/14/58/09/434145809.db2.gz YSJWJBMDVCFKFN-UHFFFAOYSA-N 1 0 306.425 3.283 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2ncccc2C)c1 ZINC000294937360 434152738 /nfs/dbraw/zinc/15/27/38/434152738.db2.gz GPSWSAGJWYUZEB-CQSZACIVSA-N 1 0 300.402 3.388 20 10 DGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C2 ZINC000363869341 434174224 /nfs/dbraw/zinc/17/42/24/434174224.db2.gz UCAAULTVSJYMAG-YGRLFVJLSA-N 1 0 317.820 3.352 20 10 DGCDRO CO[C@H](C)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000295068244 434175728 /nfs/dbraw/zinc/17/57/28/434175728.db2.gz QVBYUEBSIANOET-OAHLLOKOSA-N 1 0 315.413 3.486 20 10 DGCDRO C[C@H](CO)[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296115445 434516275 /nfs/dbraw/zinc/51/62/75/434516275.db2.gz SSMOOGJQKWYJMD-CQSZACIVSA-N 1 0 304.459 3.197 20 10 DGCDRO CN(C)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000296161084 434527645 /nfs/dbraw/zinc/52/76/45/434527645.db2.gz XEQDPWJKYRYJGP-DLBZAZTESA-N 1 0 314.404 3.411 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000367684782 434554553 /nfs/dbraw/zinc/55/45/53/434554553.db2.gz LLVGFASPQICZQO-HZPDHXFCSA-N 1 0 319.445 3.430 20 10 DGCDRO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000368270086 434570623 /nfs/dbraw/zinc/57/06/23/434570623.db2.gz RQCRBQXGBITCSH-GOSISDBHSA-N 1 0 317.816 3.182 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1 ZINC000273585113 295168379 /nfs/dbraw/zinc/16/83/79/295168379.db2.gz NNIAIAGTRDNOHR-ZJUUUORDSA-N 1 0 307.312 3.019 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1 ZINC000370671053 434615863 /nfs/dbraw/zinc/61/58/63/434615863.db2.gz LQROBLJEFYMQQX-KBXCAEBGSA-N 1 0 324.472 3.449 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1O ZINC000372291843 434821222 /nfs/dbraw/zinc/82/12/22/434821222.db2.gz RQDQZRQFGNQPCZ-UHFFFAOYSA-N 1 0 323.396 3.091 20 10 DGCDRO COc1cccc([C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)OC)c1 ZINC000527924353 435017709 /nfs/dbraw/zinc/01/77/09/435017709.db2.gz GUAROTVBRGQKJW-AEFFLSMTSA-N 1 0 313.397 3.365 20 10 DGCDRO COc1cccc([C@H](C[NH2+][C@H]2CCc3cccc(O)c32)OC)c1 ZINC000527924356 435017719 /nfs/dbraw/zinc/01/77/19/435017719.db2.gz GUAROTVBRGQKJW-WMZOPIPTSA-N 1 0 313.397 3.365 20 10 DGCDRO COc1ccc([C@H]([NH2+]Cc2cc(F)ccc2O)C2CC2)cn1 ZINC000529687487 435039607 /nfs/dbraw/zinc/03/96/07/435039607.db2.gz FBEBIVKJQLRWMF-QGZVFWFLSA-N 1 0 302.349 3.176 20 10 DGCDRO CSc1ccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000662586374 436365232 /nfs/dbraw/zinc/36/52/32/436365232.db2.gz TVAIHVCXJCKYKT-UHFFFAOYSA-N 1 0 312.438 3.331 20 10 DGCDRO C[C@H](C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)C1CCCCC1 ZINC000530109160 313321516 /nfs/dbraw/zinc/32/15/16/313321516.db2.gz WTVOKDWRFHKUPO-ACJLOTCBSA-N 1 0 319.445 3.466 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000569462191 332094128 /nfs/dbraw/zinc/09/41/28/332094128.db2.gz XSFXNHQCEJTQQL-QGZVFWFLSA-N 1 0 310.445 3.498 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccccc1O ZINC000363711669 332226899 /nfs/dbraw/zinc/22/68/99/332226899.db2.gz HWVKNYWUANJVGH-QGZVFWFLSA-N 1 0 308.385 3.214 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccccc1O ZINC000363711668 332226978 /nfs/dbraw/zinc/22/69/78/332226978.db2.gz HWVKNYWUANJVGH-KRWDZBQOSA-N 1 0 308.385 3.214 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1O ZINC000293806470 335117501 /nfs/dbraw/zinc/11/75/01/335117501.db2.gz DQNJRMNHVUMOFD-UHFFFAOYSA-N 1 0 311.425 3.227 20 10 DGCDRO CC[C@H](CO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000295170909 335130697 /nfs/dbraw/zinc/13/06/97/335130697.db2.gz UGCFUPDAWOCLHS-QGZVFWFLSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1ccc([C@H](CCO)[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296865827 335147092 /nfs/dbraw/zinc/14/70/92/335147092.db2.gz NTEGVVCYVKQPAQ-DLBZAZTESA-N 1 0 313.397 3.101 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2ccsc2)cc1 ZINC000219097438 340501691 /nfs/dbraw/zinc/50/16/91/340501691.db2.gz OMDPNIVYYQKMSQ-KRWDZBQOSA-N 1 0 304.459 3.418 20 10 DGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1O ZINC000289866179 500854748 /nfs/dbraw/zinc/85/47/48/500854748.db2.gz RXQPPLPRJSMJBY-CYBMUJFWSA-N 1 0 300.402 3.318 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOCc2ccccc2)c1 ZINC000185633140 534203410 /nfs/dbraw/zinc/20/34/10/534203410.db2.gz ODGKCSBTNPDGBC-CQSZACIVSA-N 1 0 301.386 3.268 20 10 DGCDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2cc(F)ccc2O)cn1 ZINC000181128525 518892231 /nfs/dbraw/zinc/89/22/31/518892231.db2.gz TVBIVASIIDAZML-UHFFFAOYSA-N 1 0 304.365 3.393 20 10 DGCDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000181270258 519704103 /nfs/dbraw/zinc/70/41/03/519704103.db2.gz JVRAPNDEZGDPPJ-CYBMUJFWSA-N 1 0 300.402 3.111 20 10 DGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000124236575 519873514 /nfs/dbraw/zinc/87/35/14/519873514.db2.gz BIMHMUWLPPQWJL-ZDUSSCGKSA-N 1 0 324.852 3.174 20 10 DGCDRO CCCO[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000180180256 520284549 /nfs/dbraw/zinc/28/45/49/520284549.db2.gz KGBZQDQAAUDYJB-HNNXBMFYSA-N 1 0 323.433 3.191 20 10 DGCDRO CCCOc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c(O)c1 ZINC000130014371 520345523 /nfs/dbraw/zinc/34/55/23/520345523.db2.gz WVZNTIPURUZBMJ-CQSZACIVSA-N 1 0 305.418 3.182 20 10 DGCDRO CC1(C)C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000160466349 520555315 /nfs/dbraw/zinc/55/53/15/520555315.db2.gz YRVZEKCUALRCGB-GFCCVEGCSA-N 1 0 314.223 3.202 20 10 DGCDRO CCOc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1O ZINC000264936451 520722351 /nfs/dbraw/zinc/72/23/51/520722351.db2.gz DHZCHCSQRHCVNT-UHFFFAOYSA-N 1 0 318.392 3.286 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(CCC(N)=O)CC2)cc1 ZINC000271213137 520892689 /nfs/dbraw/zinc/89/26/89/520892689.db2.gz VKJATRZMWQAPGZ-UHFFFAOYSA-N 1 0 317.477 3.010 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(OC)cc2)c1O ZINC000159858804 521332075 /nfs/dbraw/zinc/33/20/75/521332075.db2.gz OQNXBGRXAHPZGE-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO CC[NH+]1CCN(c2cccc(NCc3ccccc3O)c2)CC1 ZINC000190008945 521700228 /nfs/dbraw/zinc/70/02/28/521700228.db2.gz BRLSAHMXSGWMAU-UHFFFAOYSA-N 1 0 311.429 3.146 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000157845443 522209320 /nfs/dbraw/zinc/20/93/20/522209320.db2.gz AQABPCCAJHDEPX-UHFFFAOYSA-N 1 0 320.234 3.200 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(C)cc1O ZINC000368446515 522718866 /nfs/dbraw/zinc/71/88/66/522718866.db2.gz KYZSEFLXRUWGDU-HFTRVMKXSA-N 1 0 305.418 3.079 20 10 DGCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2nc(C)cs2)cc1OC ZINC000182213866 522779603 /nfs/dbraw/zinc/77/96/03/522779603.db2.gz NJLCXXWFBCNDCZ-UHFFFAOYSA-N 1 0 322.430 3.199 20 10 DGCDRO CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(N(C)C)cc1 ZINC000151060760 522822209 /nfs/dbraw/zinc/82/22/09/522822209.db2.gz MXUHWWCMANMCBB-LJQANCHMSA-N 1 0 317.477 3.052 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@@H](O)c1c(F)cccc1F ZINC000266341613 522882845 /nfs/dbraw/zinc/88/28/45/522882845.db2.gz YLKVZFIGERBHIO-RHSMWYFYSA-N 1 0 307.340 3.272 20 10 DGCDRO CC[C@@H](O)CC[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000119247152 522989855 /nfs/dbraw/zinc/98/98/55/522989855.db2.gz AMYGWNCQHJWMFY-DGCLKSJQSA-N 1 0 316.239 3.356 20 10 DGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000191641044 523444428 /nfs/dbraw/zinc/44/44/28/523444428.db2.gz OTKRFVYHYHAMON-AEJSXWLSSA-N 1 0 302.212 3.229 20 10 DGCDRO COCCOCCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000163446005 523997027 /nfs/dbraw/zinc/99/70/27/523997027.db2.gz LVYYFFIQFQUNTF-QGZVFWFLSA-N 1 0 320.477 3.381 20 10 DGCDRO C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268973918 524208085 /nfs/dbraw/zinc/20/80/85/524208085.db2.gz ZVVXALMBPPRVOV-CABCVRRESA-N 1 0 308.441 3.485 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c1 ZINC000182466278 524763712 /nfs/dbraw/zinc/76/37/12/524763712.db2.gz VEPQYZREZHKTIR-FZKQIMNGSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccccc2F)c1 ZINC000182458706 524769101 /nfs/dbraw/zinc/76/91/01/524769101.db2.gz XBRNLMFEFUUOIG-LBPRGKRZSA-N 1 0 305.349 3.270 20 10 DGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000156919213 525401272 /nfs/dbraw/zinc/40/12/72/525401272.db2.gz WGALZBIZFYVCBS-SUMWQHHRSA-N 1 0 304.459 3.372 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1O ZINC000183371525 525476741 /nfs/dbraw/zinc/47/67/41/525476741.db2.gz PBGGBFNWVPBAJG-DYVFJYSZSA-N 1 0 302.393 3.485 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](O)c1cccc(F)c1 ZINC000267180339 525526402 /nfs/dbraw/zinc/52/64/02/525526402.db2.gz KANYPYIZICFYJA-KZULUSFZSA-N 1 0 320.383 3.243 20 10 DGCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cc(C)c(C)cc2O)c(C)o1 ZINC000266137663 525552687 /nfs/dbraw/zinc/55/26/87/525552687.db2.gz GEMKCHPUFVLXCZ-GOSISDBHSA-N 1 0 303.402 3.216 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc2c(cc1O)CCCC2 ZINC000188002176 525612540 /nfs/dbraw/zinc/61/25/40/525612540.db2.gz MAUXOPCQMKRLOT-IYOUNJFTSA-N 1 0 303.446 3.473 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)C(=O)NC(C)(C)C ZINC000181234592 525659672 /nfs/dbraw/zinc/65/96/72/525659672.db2.gz NJWFXNYZLJONKR-CHWSQXEVSA-N 1 0 314.429 3.499 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Cl)c1ccc(F)cc1 ZINC000157813765 525774933 /nfs/dbraw/zinc/77/49/33/525774933.db2.gz GBUYODSDLAIBOB-MRXNPFEDSA-N 1 0 309.768 3.182 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCCCC3)cc2)o1 ZINC000266000439 525977127 /nfs/dbraw/zinc/97/71/27/525977127.db2.gz OWUIOSKROXARIJ-GOSISDBHSA-N 1 0 314.429 3.402 20 10 DGCDRO Cc1cc(Br)cc(C[N@H+](C)Cc2cccnc2)c1O ZINC000182035193 526157867 /nfs/dbraw/zinc/15/78/67/526157867.db2.gz UJFDWRSTUCXWQN-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cccs1 ZINC000296060845 527217174 /nfs/dbraw/zinc/21/71/74/527217174.db2.gz QMHJTNUQEBDDBF-HNNXBMFYSA-N 1 0 309.406 3.442 20 10 DGCDRO CCOCC(C)(C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000368586696 528566878 /nfs/dbraw/zinc/56/68/78/528566878.db2.gz YRFZAYFSKNLDDD-UHFFFAOYSA-N 1 0 320.477 3.316 20 10 DGCDRO CC[C@@H]([NH2+]CCc1nnc(C)s1)c1ccc(N(C)C)cc1 ZINC000289714586 535804210 /nfs/dbraw/zinc/80/42/10/535804210.db2.gz JGDQKYJXUSDTJK-OAHLLOKOSA-N 1 0 304.463 3.196 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)CN2CCCCC2)ccc1OC ZINC000731449108 574549630 /nfs/dbraw/zinc/54/96/30/574549630.db2.gz PCYWJAQZOISCGX-INIZCTEOSA-N 1 0 320.477 3.196 20 10 DGCDRO CC(C)(C)OC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848138 574560392 /nfs/dbraw/zinc/56/03/92/574560392.db2.gz UEYHSIXWZZXHIM-UHFFFAOYSA-N 1 0 305.418 3.479 20 10 DGCDRO COc1ccc(COCC[N@H+](C)Cc2ccccc2O)cc1 ZINC000731842830 574560006 /nfs/dbraw/zinc/56/00/06/574560006.db2.gz ICZYTVKLUHZZMN-UHFFFAOYSA-N 1 0 301.386 3.049 20 10 DGCDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000731843840 574560079 /nfs/dbraw/zinc/56/00/79/574560079.db2.gz YVBWQPVYNJWWJL-GDBMZVCRSA-N 1 0 304.434 3.004 20 10 DGCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000732198624 574568500 /nfs/dbraw/zinc/56/85/00/574568500.db2.gz ZOKUVYYULUFHCX-INIZCTEOSA-N 1 0 311.429 3.364 20 10 DGCDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1=CC(=O)CS1 ZINC000732268481 574569536 /nfs/dbraw/zinc/56/95/36/574569536.db2.gz LUPVXMBEMNXUAU-HNNXBMFYSA-N 1 0 316.426 3.021 20 10 DGCDRO CCc1nc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000732411257 574574099 /nfs/dbraw/zinc/57/40/99/574574099.db2.gz ZBYBVALDGIFCAL-UHFFFAOYSA-N 1 0 319.474 3.282 20 10 DGCDRO CN(Cc1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410903 574574106 /nfs/dbraw/zinc/57/41/06/574574106.db2.gz MHVSEUKDLJCAQD-UHFFFAOYSA-N 1 0 302.393 3.403 20 10 DGCDRO C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000733325464 574615989 /nfs/dbraw/zinc/61/59/89/574615989.db2.gz NNISTBYTQZSRRW-HNNXBMFYSA-N 1 0 321.484 3.492 20 10 DGCDRO CCOC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000733787548 574638499 /nfs/dbraw/zinc/63/84/99/574638499.db2.gz LHFFCEFDIUEBCU-AWEZNQCLSA-N 1 0 300.402 3.189 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1C ZINC000733798643 574640046 /nfs/dbraw/zinc/64/00/46/574640046.db2.gz XMGRXUCLTMQYLG-UHFFFAOYSA-N 1 0 321.218 3.451 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2nc3cc(F)ccc3n2C)cc1 ZINC000736358019 574745775 /nfs/dbraw/zinc/74/57/75/574745775.db2.gz PGKAEJZAGVBHRK-UHFFFAOYSA-N 1 0 312.392 3.068 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)cc1C ZINC000738097934 574859131 /nfs/dbraw/zinc/85/91/31/574859131.db2.gz HCIKMOLDSJMLET-GOSISDBHSA-N 1 0 302.462 3.459 20 10 DGCDRO CCN(CC)c1ccc(CNCC[N@H+](CC)C(C)C)cc1F ZINC000740004222 574917912 /nfs/dbraw/zinc/91/79/12/574917912.db2.gz KAQRSZYIPQFSJQ-UHFFFAOYSA-N 1 0 309.473 3.492 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000742166674 574983361 /nfs/dbraw/zinc/98/33/61/574983361.db2.gz ZUWYZKPITWDHSI-UHFFFAOYSA-N 1 0 312.413 3.476 20 10 DGCDRO COc1cccc(C[NH2+]C2(c3ccccc3)CCOCC2)c1O ZINC000742373523 574993668 /nfs/dbraw/zinc/99/36/68/574993668.db2.gz YMWKBVFHBGESCU-UHFFFAOYSA-N 1 0 313.397 3.196 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000743870492 575066922 /nfs/dbraw/zinc/06/69/22/575066922.db2.gz UFXLLKHRDBAZSO-SFHVURJKSA-N 1 0 324.424 3.410 20 10 DGCDRO COC(=O)[C@]1(F)CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000751941591 575201182 /nfs/dbraw/zinc/20/11/82/575201182.db2.gz YCLHOVMBDYWRGR-SFHVURJKSA-N 1 0 323.408 3.085 20 10 DGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000746753662 575473613 /nfs/dbraw/zinc/47/36/13/575473613.db2.gz GNMLPFGBCRXGOH-CHWSQXEVSA-N 1 0 314.223 3.202 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)C(C)C)cc1 ZINC000747841118 575545757 /nfs/dbraw/zinc/54/57/57/575545757.db2.gz QBRSKXSNPFHTNK-INIZCTEOSA-N 1 0 319.493 3.220 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C/C=C(/C)C(=O)OC)cc1 ZINC000748809997 575608589 /nfs/dbraw/zinc/60/85/89/575608589.db2.gz OXWKKKGHBKXNSW-QINSGFPZSA-N 1 0 304.434 3.084 20 10 DGCDRO Cn1nc(C[NH2+]CCCSc2nccs2)c2ccccc21 ZINC000752265677 575829762 /nfs/dbraw/zinc/82/97/62/575829762.db2.gz NUEPMUIHVXJWHR-UHFFFAOYSA-N 1 0 318.471 3.302 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)ccc1N1CCCCC1 ZINC000852663949 620638658 /nfs/dbraw/zinc/63/86/58/620638658.db2.gz AIDAJEUNJDKQQZ-MOPGFXCFSA-N 1 0 314.473 3.454 20 10 DGCDRO CCC[C@@H]1CCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792693 620649045 /nfs/dbraw/zinc/64/90/45/620649045.db2.gz ZSTXDVYGZKCBHK-JLSDUUJJSA-N 1 0 317.477 3.085 20 10 DGCDRO CCn1nccc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000853241754 620681585 /nfs/dbraw/zinc/68/15/85/620681585.db2.gz XNPVJURAYKGFHA-JTQLQIEISA-N 1 0 324.222 3.222 20 10 DGCDRO C[C@@H]([NH2+]CCOCCF)c1ccc(N2CCCCC2)c(F)c1 ZINC000853238850 620680885 /nfs/dbraw/zinc/68/08/85/620680885.db2.gz SWIYOUFXBUXOSZ-CQSZACIVSA-N 1 0 312.404 3.453 20 10 DGCDRO CCCNC(=O)C1([NH2+]Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000154534495 620685100 /nfs/dbraw/zinc/68/51/00/620685100.db2.gz NIUABLYAPIEIKZ-UHFFFAOYSA-N 1 0 317.477 3.071 20 10 DGCDRO CC[C@H](C)[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000154555618 620686805 /nfs/dbraw/zinc/68/68/05/620686805.db2.gz RLCSJBAFRYONOW-VIFPVBQESA-N 1 0 302.212 3.394 20 10 DGCDRO CCCCNC(=O)C1([NH2+]Cc2cc(F)ccc2O)CCCCC1 ZINC000154638463 620696117 /nfs/dbraw/zinc/69/61/17/620696117.db2.gz AVFOAKWEUKKTFS-UHFFFAOYSA-N 1 0 322.424 3.240 20 10 DGCDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(cc1O)OCO2 ZINC000154673543 620702446 /nfs/dbraw/zinc/70/24/46/620702446.db2.gz UVQOPAUMAWFAHU-UHFFFAOYSA-N 1 0 315.369 3.152 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@](C)(C3CC3)C2)c1 ZINC000853528159 620706714 /nfs/dbraw/zinc/70/67/14/620706714.db2.gz LYBUOOBFNBIICX-IBGZPJMESA-N 1 0 319.445 3.396 20 10 DGCDRO c1ccc([C@H]2C[C@@H]2C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000111398440 620706736 /nfs/dbraw/zinc/70/67/36/620706736.db2.gz VBJIAPVZUQVFJZ-TZIWHRDSSA-N 1 0 322.452 3.417 20 10 DGCDRO c1ccc2c(c1)CC[C@@H]2C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000111390637 620706248 /nfs/dbraw/zinc/70/62/48/620706248.db2.gz XEUOBUKTAWUZTR-LJQANCHMSA-N 1 0 322.452 3.343 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)cc1C ZINC000853592962 620713248 /nfs/dbraw/zinc/71/32/48/620713248.db2.gz BKTWDNBGXPURSU-QGZVFWFLSA-N 1 0 313.397 3.363 20 10 DGCDRO COc1cc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c(O)cc1C ZINC000853572473 620711044 /nfs/dbraw/zinc/71/10/44/620711044.db2.gz SUJKCRLGBZQNPG-SFHVURJKSA-N 1 0 319.445 3.490 20 10 DGCDRO COc1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000891776229 617894607 /nfs/dbraw/zinc/89/46/07/617894607.db2.gz YCPUGZNEPRYEFX-UHFFFAOYSA-N 1 0 316.401 3.009 20 10 DGCDRO CN(Cc1nccn1C(F)F)Cc1cc(Cl)ccc1O ZINC000154992401 620752741 /nfs/dbraw/zinc/75/27/41/620752741.db2.gz NFYSIVGRFHYRDX-UHFFFAOYSA-N 1 0 301.724 3.269 20 10 DGCDRO CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1O ZINC000891450699 617804260 /nfs/dbraw/zinc/80/42/60/617804260.db2.gz JWWWUJPTKIBNHJ-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccnc(OC)c1F ZINC000891853547 617911967 /nfs/dbraw/zinc/91/19/67/617911967.db2.gz QBCIQQUCXWNXIO-UHFFFAOYSA-N 1 0 304.365 3.347 20 10 DGCDRO COc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(O)c1OC ZINC000892120338 617966277 /nfs/dbraw/zinc/96/62/77/617966277.db2.gz GXUKCTGDDIZXBL-DZGCQCFKSA-N 1 0 323.458 3.269 20 10 DGCDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000892204185 617983855 /nfs/dbraw/zinc/98/38/55/617983855.db2.gz WFXTZHGMTNGIPD-GFCCVEGCSA-N 1 0 313.463 3.373 20 10 DGCDRO COc1ccc(CNc2ccc(N(C)C)c(C)c2)c(O)c1OC ZINC000892339245 618034304 /nfs/dbraw/zinc/03/43/04/618034304.db2.gz FQDHIWUEJKLALV-UHFFFAOYSA-N 1 0 316.401 3.396 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2cccs2)c(O)c1OC ZINC000892521466 618097797 /nfs/dbraw/zinc/09/77/97/618097797.db2.gz VFXWSJUEEZJMKY-NSHDSACASA-N 1 0 307.415 3.192 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892673096 618132534 /nfs/dbraw/zinc/13/25/34/618132534.db2.gz GAJHWLLGPQSDCF-UHFFFAOYSA-N 1 0 317.385 3.098 20 10 DGCDRO CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Cl)cc(Cl)c1[O-] ZINC000854226970 620786471 /nfs/dbraw/zinc/78/64/71/620786471.db2.gz KDIBESWOIHDFPY-KWCGZIOASA-N 1 0 315.244 3.492 20 10 DGCDRO Oc1ccccc1C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892790753 618311013 /nfs/dbraw/zinc/31/10/13/618311013.db2.gz IFFNPHOKSXFTLQ-UHFFFAOYSA-N 1 0 302.321 3.243 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)c2ccc(C)nc2)c1O ZINC000894464951 618340645 /nfs/dbraw/zinc/34/06/45/618340645.db2.gz WPIOEIIGJRMVLE-UHFFFAOYSA-N 1 0 300.402 3.438 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cn(CC)nc2C)cc1F ZINC000892948256 618362844 /nfs/dbraw/zinc/36/28/44/618362844.db2.gz PDOLKZVBXCANBU-UHFFFAOYSA-N 1 0 318.440 3.487 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2OC)c(O)c1OC ZINC000893139384 618443178 /nfs/dbraw/zinc/44/31/78/618443178.db2.gz LQJLMEGYKKVPKH-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894739203 618444550 /nfs/dbraw/zinc/44/45/50/618444550.db2.gz JXPZDFSYMWWOIQ-KRWDZBQOSA-N 1 0 315.413 3.095 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCCc2cccc(C)n2)c1O ZINC000894738921 618444641 /nfs/dbraw/zinc/44/46/41/618444641.db2.gz GGZXLKTWIMQOQS-UHFFFAOYSA-N 1 0 300.402 3.135 20 10 DGCDRO CCCc1nc(C)c(C[NH2+]Cc2cc(C)cc(OC)c2O)o1 ZINC000894848562 618475282 /nfs/dbraw/zinc/47/52/82/618475282.db2.gz IHUIZXLTPSGLFY-UHFFFAOYSA-N 1 0 304.390 3.248 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2c(F)cc(F)cc2F)c1O ZINC000894861544 618481667 /nfs/dbraw/zinc/48/16/67/618481667.db2.gz KMFXUSYSLUOLTH-UHFFFAOYSA-N 1 0 311.303 3.416 20 10 DGCDRO COCC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792957118 618492385 /nfs/dbraw/zinc/49/23/85/618492385.db2.gz PTTLQSXDSVDQOW-UHFFFAOYSA-N 1 0 304.356 3.286 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1O ZINC000894898764 618492682 /nfs/dbraw/zinc/49/26/82/618492682.db2.gz KWAKCLVQCWASEP-CYBMUJFWSA-N 1 0 304.217 3.383 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000894898708 618492706 /nfs/dbraw/zinc/49/27/06/618492706.db2.gz IJLLWLBLAZDWNE-HOCLYGCPSA-N 1 0 307.434 3.250 20 10 DGCDRO CCn1cc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)c(C)n1 ZINC000894940597 618502203 /nfs/dbraw/zinc/50/22/03/618502203.db2.gz UIAGAPDRJNICBW-OAHLLOKOSA-N 1 0 314.477 3.307 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC23CCSCC3)c(O)c1OC ZINC000894967594 618504407 /nfs/dbraw/zinc/50/44/07/618504407.db2.gz MTSVADBOTWSULG-ZDUSSCGKSA-N 1 0 323.458 3.032 20 10 DGCDRO Cc1nn(C)c(C[NH2+]Cc2cc(Cl)ccc2O)c1Cl ZINC000895155526 618557066 /nfs/dbraw/zinc/55/70/66/618557066.db2.gz KLNVGRPDQACZSO-UHFFFAOYSA-N 1 0 300.189 3.031 20 10 DGCDRO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000895155488 618557191 /nfs/dbraw/zinc/55/71/91/618557191.db2.gz IVJSNKFCTMBLSH-SKDRFNHKSA-N 1 0 304.615 3.309 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c(O)c1OC ZINC000893438329 618557363 /nfs/dbraw/zinc/55/73/63/618557363.db2.gz ZLFXYBUVCJSZGI-CYBMUJFWSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c(O)c1OC ZINC000893493572 618572495 /nfs/dbraw/zinc/57/24/95/618572495.db2.gz CZNIKXSKKSAOGS-ACJLOTCBSA-N 1 0 305.418 3.422 20 10 DGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840943643 618617460 /nfs/dbraw/zinc/61/74/60/618617460.db2.gz WXJJUVVLRHQEKN-UHFFFAOYSA-N 1 0 312.461 3.472 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(Cl)c1 ZINC000840949357 618621486 /nfs/dbraw/zinc/62/14/86/618621486.db2.gz STXHBRCPMWUZLO-QGZVFWFLSA-N 1 0 308.853 3.272 20 10 DGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000112380068 620821005 /nfs/dbraw/zinc/82/10/05/620821005.db2.gz CFBOIUJLEWFPPD-IINYFYTJSA-N 1 0 316.239 3.041 20 10 DGCDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000840974204 618649453 /nfs/dbraw/zinc/64/94/53/618649453.db2.gz ABRHZGHQIVRLGE-CYBMUJFWSA-N 1 0 322.836 3.023 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnn(C)c1Cl ZINC000840975219 618651308 /nfs/dbraw/zinc/65/13/08/618651308.db2.gz DWAYVNPHBSOQIW-ZDUSSCGKSA-N 1 0 320.868 3.169 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cc1F ZINC000840977885 618653787 /nfs/dbraw/zinc/65/37/87/618653787.db2.gz KWIFZQZREAYEGY-ZBFHGGJFSA-N 1 0 308.441 3.265 20 10 DGCDRO COc1cc(C)cc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1O ZINC000893986116 618690091 /nfs/dbraw/zinc/69/00/91/618690091.db2.gz JWNBDAAVSMMBEZ-KRWDZBQOSA-N 1 0 318.461 3.160 20 10 DGCDRO CCCN(Cc1ccc(OCCOC)o1)c1ccc(C[NH3+])cc1 ZINC000894046922 618699070 /nfs/dbraw/zinc/69/90/70/618699070.db2.gz PQFWXVQVQYGUHF-UHFFFAOYSA-N 1 0 318.417 3.180 20 10 DGCDRO COc1cc(C)cc(CNc2ccc(C[NH+](C)C)cc2)c1O ZINC000894102016 618710534 /nfs/dbraw/zinc/71/05/34/618710534.db2.gz XHZRHIIBPASOID-UHFFFAOYSA-N 1 0 300.402 3.383 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(O)c1OC ZINC000894140242 618718944 /nfs/dbraw/zinc/71/89/44/618718944.db2.gz BAHIXMHHTCAAGH-ONGXEEELSA-N 1 0 319.323 3.182 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1OC ZINC000894145447 618720139 /nfs/dbraw/zinc/72/01/39/618720139.db2.gz LDVPIPIGQIYILW-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(C)nn(C(C)C)c2C)c(O)c1 ZINC000894186388 618725875 /nfs/dbraw/zinc/72/58/75/618725875.db2.gz VSMFZLYGWONFED-UHFFFAOYSA-N 1 0 303.406 3.085 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc([C@@H](C)O)cc2)c1O ZINC000894202811 618727794 /nfs/dbraw/zinc/72/77/94/618727794.db2.gz MFDKLFZGCZYGFH-CYBMUJFWSA-N 1 0 301.386 3.052 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCOc3ccccc32)c1O ZINC000894251570 618739853 /nfs/dbraw/zinc/73/98/53/618739853.db2.gz VZBPRNRCTLOBRP-CQSZACIVSA-N 1 0 313.397 3.365 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1O ZINC000894251780 618740141 /nfs/dbraw/zinc/74/01/41/618740141.db2.gz ZDCIUUFLZIGXCM-ZDUSSCGKSA-N 1 0 303.406 3.337 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(Cl)n2)c(O)c1OC ZINC000894258100 618742088 /nfs/dbraw/zinc/74/20/88/618742088.db2.gz IVYZIVYDOQKJCK-UHFFFAOYSA-N 1 0 322.792 3.056 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894357531 618771300 /nfs/dbraw/zinc/77/13/00/618771300.db2.gz TZANNCWLGCSKMW-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCSCC(F)(F)F)c1O ZINC000894361617 618771857 /nfs/dbraw/zinc/77/18/57/618771857.db2.gz KWSMWWQSNDMOJA-UHFFFAOYSA-N 1 0 309.353 3.094 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000894366325 618772599 /nfs/dbraw/zinc/77/25/99/618772599.db2.gz LPTNLNJYJQMNLF-ZBFHGGJFSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)C[C@H](O)c2cccs2)c1O ZINC000894370363 618773388 /nfs/dbraw/zinc/77/33/88/618773388.db2.gz JXOZDPJZQVWZQW-OCCSQVGLSA-N 1 0 321.442 3.373 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CC(Cc3cccs3)C2)c1O ZINC000895412415 618781060 /nfs/dbraw/zinc/78/10/60/618781060.db2.gz WFQIXDHDMMEJIQ-UHFFFAOYSA-N 1 0 303.427 3.445 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c(O)c1 ZINC000895582143 618804038 /nfs/dbraw/zinc/80/40/38/618804038.db2.gz FLPWCDBZQIVJAO-CYBMUJFWSA-N 1 0 304.415 3.237 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c1O ZINC000895660973 618813637 /nfs/dbraw/zinc/81/36/37/618813637.db2.gz BFDMHMCYMSIIJY-SFHVURJKSA-N 1 0 315.413 3.311 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000895665028 618814240 /nfs/dbraw/zinc/81/42/40/618814240.db2.gz WZMFCAIATWSUJE-RISCZKNCSA-N 1 0 313.825 3.349 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895670270 618816083 /nfs/dbraw/zinc/81/60/83/618816083.db2.gz DMTFXYPSNAYFAK-XQRVVYSFSA-N 1 0 313.489 3.326 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@]23CCCO3)c1O ZINC000895680447 618818039 /nfs/dbraw/zinc/81/80/39/618818039.db2.gz LEAZWGPESAZIJS-ZBFHGGJFSA-N 1 0 311.809 3.246 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000895842610 618837840 /nfs/dbraw/zinc/83/78/40/618837840.db2.gz ICZHRNQUDZEYTO-HWTQTHBUSA-N 1 0 300.446 3.267 20 10 DGCDRO CC[NH2+]Cc1ccccc1NC(=O)N(C)Cc1ccccc1O ZINC000841315356 618861557 /nfs/dbraw/zinc/86/15/57/618861557.db2.gz FVIMCBCJMVZSRY-UHFFFAOYSA-N 1 0 313.401 3.166 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c1O ZINC000896279680 618896370 /nfs/dbraw/zinc/89/63/70/618896370.db2.gz FCEADIXFQRZFKO-CHWSQXEVSA-N 1 0 303.324 3.154 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@]23CCC[C@@]2(OC)OCC3)cc1 ZINC000896415007 618909506 /nfs/dbraw/zinc/90/95/06/618909506.db2.gz GJYOXCOKBANFQA-RBUKOAKNSA-N 1 0 318.461 3.308 20 10 DGCDRO COC(=O)C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000896469083 618915282 /nfs/dbraw/zinc/91/52/82/618915282.db2.gz UPJXUGTWERAXFB-CZUORRHYSA-N 1 0 313.397 3.176 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000896511537 618919531 /nfs/dbraw/zinc/91/95/31/618919531.db2.gz WSZYNFQPZJCRFF-GFCCVEGCSA-N 1 0 316.357 3.468 20 10 DGCDRO Cn1ccc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000896501075 618921391 /nfs/dbraw/zinc/92/13/91/618921391.db2.gz NEWSPTCUMLSYOU-UHFFFAOYSA-N 1 0 305.809 3.159 20 10 DGCDRO Cc1nc(CC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000896551363 618927856 /nfs/dbraw/zinc/92/78/56/618927856.db2.gz LOZMQEBTHFIDAB-UHFFFAOYSA-N 1 0 321.808 3.192 20 10 DGCDRO CO[C@@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCSC1 ZINC000896575466 618929561 /nfs/dbraw/zinc/92/95/61/618929561.db2.gz QNNZSAQDAXDEES-QGZVFWFLSA-N 1 0 303.427 3.157 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1O ZINC000896820195 618964815 /nfs/dbraw/zinc/96/48/15/618964815.db2.gz DOPBMLSIEVJVER-STQMWFEESA-N 1 0 303.324 3.290 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1O ZINC000896820193 618965097 /nfs/dbraw/zinc/96/50/97/618965097.db2.gz DOPBMLSIEVJVER-OLZOCXBDSA-N 1 0 303.324 3.290 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cccc(C)c3O)C2)n1 ZINC000897043004 619007465 /nfs/dbraw/zinc/00/74/65/619007465.db2.gz JCANXNSVYNZCAV-TZMCWYRMSA-N 1 0 301.390 3.072 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(F)cc(C)cc2F)c(O)c1OC ZINC000897213802 619030007 /nfs/dbraw/zinc/03/00/07/619030007.db2.gz UBUUHCKVXOMSSF-UHFFFAOYSA-N 1 0 323.339 3.286 20 10 DGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000840723017 619056644 /nfs/dbraw/zinc/05/66/44/619056644.db2.gz MVJUPBGPPCVRHO-OAHLLOKOSA-N 1 0 313.445 3.185 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1cccc(Cl)c1OC ZINC000897483637 619135599 /nfs/dbraw/zinc/13/55/99/619135599.db2.gz RWJZJNQKOMTVOD-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1O ZINC000841747460 619136819 /nfs/dbraw/zinc/13/68/19/619136819.db2.gz RATUTTALHGDXLG-ONGXEEELSA-N 1 0 322.758 3.333 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(Br)ccc1O ZINC000841760128 619165066 /nfs/dbraw/zinc/16/50/66/619165066.db2.gz TVIGKJJOPTWVKJ-QKCSRTOESA-N 1 0 314.223 3.109 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cc1Cn1cccn1 ZINC000897960018 619199036 /nfs/dbraw/zinc/19/90/36/619199036.db2.gz NRQDZEOFZIJMJZ-CGTJXYLNSA-N 1 0 311.429 3.218 20 10 DGCDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(Br)cc1O ZINC000897967253 619200154 /nfs/dbraw/zinc/20/01/54/619200154.db2.gz MAHTWOYGVHUKND-LLVKDONJSA-N 1 0 321.218 3.271 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(C(F)(F)F)cc1O ZINC000898043722 619208932 /nfs/dbraw/zinc/20/89/32/619208932.db2.gz YYZIACAIHJHULR-CYBMUJFWSA-N 1 0 313.323 3.385 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)c1O ZINC000898064695 619210501 /nfs/dbraw/zinc/21/05/01/619210501.db2.gz JQCANATVEQNRGN-BLLLJJGKSA-N 1 0 323.820 3.103 20 10 DGCDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000898226607 619229376 /nfs/dbraw/zinc/22/93/76/619229376.db2.gz OBPNKYBQIAJGPV-RHSMWYFYSA-N 1 0 304.409 3.107 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2nc3c(s2)CCC3)c1O ZINC000926929462 619250517 /nfs/dbraw/zinc/25/05/17/619250517.db2.gz OBGCYJACUUTBPX-NSHDSACASA-N 1 0 318.442 3.239 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CC3(C2)OCCO3)c1O ZINC000927001927 619255982 /nfs/dbraw/zinc/25/59/82/619255982.db2.gz QQYBRAMNQRSLMT-LLVKDONJSA-N 1 0 311.809 3.158 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000898384440 619269702 /nfs/dbraw/zinc/26/97/02/619269702.db2.gz BFFOVYPCKQHOGD-SBUVDCAVSA-N 1 0 308.425 3.014 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898385878 619269841 /nfs/dbraw/zinc/26/98/41/619269841.db2.gz GSUQDGHJUBDYIG-OALUTQOASA-N 1 0 300.446 3.192 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c(Cl)c1 ZINC000898388309 619270344 /nfs/dbraw/zinc/27/03/44/619270344.db2.gz ZERIEYNTAAYCDE-NVXWUHKLSA-N 1 0 303.789 3.102 20 10 DGCDRO Cc1occc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449357 619276033 /nfs/dbraw/zinc/27/60/33/619276033.db2.gz CJAQFTDNBDTWJL-SFHVURJKSA-N 1 0 301.434 3.047 20 10 DGCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3cc(C)cc(C)c3O)C2)n1 ZINC000902584575 619657471 /nfs/dbraw/zinc/65/74/71/619657471.db2.gz MXIVBNDBZQPPLB-OAHLLOKOSA-N 1 0 315.417 3.155 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000902869465 619684602 /nfs/dbraw/zinc/68/46/02/619684602.db2.gz XESSUAHHYGKSFO-RDJZCZTQSA-N 1 0 319.445 3.476 20 10 DGCDRO CC(C)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nncn1C ZINC000903067142 619709833 /nfs/dbraw/zinc/70/98/33/619709833.db2.gz ZAOMYFRKGIUWTM-RSAASHCRSA-N 1 0 318.396 3.195 20 10 DGCDRO CCN(C(=O)C[NH2+][C@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000903196948 619734657 /nfs/dbraw/zinc/73/46/57/619734657.db2.gz ISQXNRVZZHHWMY-OAHLLOKOSA-N 1 0 312.413 3.404 20 10 DGCDRO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1O ZINC000903214278 619739619 /nfs/dbraw/zinc/73/96/19/619739619.db2.gz UHJQQLLZGBKWMZ-KBPBESRZSA-N 1 0 312.413 3.064 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CC2(C3(O)CCC3)CC2)c2c1c(F)ccc2O ZINC000903257831 619746108 /nfs/dbraw/zinc/74/61/08/619746108.db2.gz LUZAGYBVGGJAHX-DGCLKSJQSA-N 1 0 305.393 3.364 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CC2(C3(O)CCC3)CC2)c2c1c(F)ccc2O ZINC000903257830 619746153 /nfs/dbraw/zinc/74/61/53/619746153.db2.gz LUZAGYBVGGJAHX-AAEUAGOBSA-N 1 0 305.393 3.364 20 10 DGCDRO CC[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000903258260 619746201 /nfs/dbraw/zinc/74/62/01/619746201.db2.gz UDDLKWBWJHSZOV-QGZVFWFLSA-N 1 0 302.462 3.489 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1ccc(C)cc1O ZINC000903269681 619749535 /nfs/dbraw/zinc/74/95/35/619749535.db2.gz AZEHAWCAFPAVOR-ULQDDVLXSA-N 1 0 320.502 3.321 20 10 DGCDRO CC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC2(CC1)OCCO2 ZINC000903269678 619749668 /nfs/dbraw/zinc/74/96/68/619749668.db2.gz YEWYDDYECUZMFA-HNNXBMFYSA-N 1 0 317.429 3.293 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000903303377 619754084 /nfs/dbraw/zinc/75/40/84/619754084.db2.gz QBCJQYWRZVCZQD-FCEWJHQRSA-N 1 0 301.478 3.420 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000903323379 619755780 /nfs/dbraw/zinc/75/57/80/619755780.db2.gz LPVLHZUPVKRZFV-ZBFHGGJFSA-N 1 0 305.441 3.171 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(OC)CCSC2)cc1 ZINC000903309487 619756997 /nfs/dbraw/zinc/75/69/97/619756997.db2.gz FCSLMQQQTUDWDJ-WMLDXEAASA-N 1 0 308.491 3.315 20 10 DGCDRO COc1nn(C)cc1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000903336732 619759680 /nfs/dbraw/zinc/75/96/80/619759680.db2.gz CJZOKKLAIWGEPF-GFCCVEGCSA-N 1 0 311.385 3.138 20 10 DGCDRO C[NH+](C)CC[C@@H](N[C@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000903381374 619768592 /nfs/dbraw/zinc/76/85/92/619768592.db2.gz WBCQKNTVVGNJGZ-SJORKVTESA-N 1 0 311.429 3.057 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCOC23CCOCC3)cc1 ZINC000903388726 619770581 /nfs/dbraw/zinc/77/05/81/619770581.db2.gz MTNXMRAAJVSMCD-YJBOKZPZSA-N 1 0 318.461 3.131 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1cc(Cl)ccc1O ZINC000903389743 619770621 /nfs/dbraw/zinc/77/06/21/619770621.db2.gz WMAUISKEPUMMON-UONOGXRCSA-N 1 0 310.825 3.097 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN[C@@H]2CC[NH2+]C23CCCC3)c1O ZINC000903487016 619781916 /nfs/dbraw/zinc/78/19/16/619781916.db2.gz ZUQBPRIFXFMYBG-OAHLLOKOSA-N 1 0 322.836 3.013 20 10 DGCDRO COc1cc(Cl)cc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000903959945 619839825 /nfs/dbraw/zinc/83/98/25/619839825.db2.gz SOAQFGHPRVQNBO-KRWDZBQOSA-N 1 0 324.852 3.020 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(Cl)c1 ZINC000903983063 619848134 /nfs/dbraw/zinc/84/81/34/619848134.db2.gz BFFQXZFXJBAXAU-CMPLNLGQSA-N 1 0 322.758 3.066 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Cl)c1 ZINC000903983069 619848137 /nfs/dbraw/zinc/84/81/37/619848137.db2.gz BFFQXZFXJBAXAU-ZYHUDNBSSA-N 1 0 322.758 3.066 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1(Cl)CC1 ZINC000924795907 619894681 /nfs/dbraw/zinc/89/46/81/619894681.db2.gz RDUILZQAIBIJGY-UONOGXRCSA-N 1 0 308.853 3.334 20 10 DGCDRO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000152081016 620490584 /nfs/dbraw/zinc/49/05/84/620490584.db2.gz DTVWEKWOXPOSFW-DLBZAZTESA-N 1 0 319.468 3.388 20 10 DGCDRO C[C@H]1C(=O)NCCC[N@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000788047868 620600299 /nfs/dbraw/zinc/60/02/99/620600299.db2.gz NWYYKPBUDDLNKT-LBPRGKRZSA-N 1 0 324.380 3.002 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1O ZINC000816648604 620891339 /nfs/dbraw/zinc/89/13/39/620891339.db2.gz MQFAVBZKJROALB-IUCAKERBSA-N 1 0 300.196 3.004 20 10 DGCDRO c1nc2ccccc2n1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921602590 620912916 /nfs/dbraw/zinc/91/29/16/620912916.db2.gz BBKIETZYDDDDBT-UHFFFAOYSA-N 1 0 307.397 3.151 20 10 DGCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921748448 620944063 /nfs/dbraw/zinc/94/40/63/620944063.db2.gz IBFZARYASVISAW-KRWDZBQOSA-N 1 0 309.413 3.277 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921931464 620969502 /nfs/dbraw/zinc/96/95/02/620969502.db2.gz HGBGWTOZFUXEPK-UHFFFAOYSA-N 1 0 313.445 3.160 20 10 DGCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921947560 620972243 /nfs/dbraw/zinc/97/22/43/620972243.db2.gz RLFLUIPGXOYHTP-BBRMVZONSA-N 1 0 301.386 3.206 20 10 DGCDRO CO[C@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000922042520 620983257 /nfs/dbraw/zinc/98/32/57/620983257.db2.gz UWBSDOOVSRCBCX-CQSZACIVSA-N 1 0 303.324 3.069 20 10 DGCDRO c1cc([C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)ccn1 ZINC000922164645 620999255 /nfs/dbraw/zinc/99/92/55/620999255.db2.gz WWMYTSWHEWBRSQ-AZUAARDMSA-N 1 0 324.424 3.417 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnn2C2CCC2)c1 ZINC000922217708 621007516 /nfs/dbraw/zinc/00/75/16/621007516.db2.gz VXRKBCMAXZDNGQ-LBPRGKRZSA-N 1 0 301.390 3.173 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C)o1 ZINC000114505263 621008376 /nfs/dbraw/zinc/00/83/76/621008376.db2.gz UPRCEZGSQZQREI-UHFFFAOYSA-N 1 0 318.392 3.162 20 10 DGCDRO c1cncc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922271879 621015505 /nfs/dbraw/zinc/01/55/05/621015505.db2.gz KNNYLRWQZWHEOP-MJGOQNOKSA-N 1 0 310.397 3.026 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@]34C[C@@H]3CCCC4)cc2)CC1 ZINC000922428600 621037067 /nfs/dbraw/zinc/03/70/67/621037067.db2.gz LCHTXFMJENLEBA-FXAWDEMLSA-N 1 0 314.473 3.318 20 10 DGCDRO FC(F)(F)[C@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)O1 ZINC000922454139 621038904 /nfs/dbraw/zinc/03/89/04/621038904.db2.gz BMSILUWDQYSCAC-UKRRQHHQSA-N 1 0 315.335 3.211 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1C ZINC000922463514 621041414 /nfs/dbraw/zinc/04/14/14/621041414.db2.gz SWSVMFAWXVMDJY-GXTWGEPZSA-N 1 0 303.324 3.203 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000922531282 621051377 /nfs/dbraw/zinc/05/13/77/621051377.db2.gz VEWWGXPRECYJAV-SAABIXHNSA-N 1 0 317.816 3.228 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)cc1F ZINC000857061899 621053094 /nfs/dbraw/zinc/05/30/94/621053094.db2.gz WIQPMBMSOPGPBK-ZBFHGGJFSA-N 1 0 308.441 3.122 20 10 DGCDRO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cc(C)ccc1O ZINC000857068975 621054373 /nfs/dbraw/zinc/05/43/73/621054373.db2.gz JZIVCNXJGZBJLB-UHFFFAOYSA-N 1 0 300.402 3.353 20 10 DGCDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922562950 621056471 /nfs/dbraw/zinc/05/64/71/621056471.db2.gz YBYBJDJRGOFRIT-UHFFFAOYSA-N 1 0 311.425 3.411 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000922693781 621080724 /nfs/dbraw/zinc/08/07/24/621080724.db2.gz HSEDRNXEHUPVFN-HUUCEWRRSA-N 1 0 316.367 3.342 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCN1CC(F)(F)F ZINC000922707140 621086722 /nfs/dbraw/zinc/08/67/22/621086722.db2.gz AMFGWKRSJCOEEW-JTQLQIEISA-N 1 0 322.758 3.162 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c(O)c1 ZINC000922814532 621102791 /nfs/dbraw/zinc/10/27/91/621102791.db2.gz XFKSXNXSLKIIIW-MRXNPFEDSA-N 1 0 305.418 3.372 20 10 DGCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)n1 ZINC000922865931 621109672 /nfs/dbraw/zinc/10/96/72/621109672.db2.gz LTQXRSZYLVUCKY-GWCFXTLKSA-N 1 0 321.808 3.417 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)n1 ZINC000922865935 621109675 /nfs/dbraw/zinc/10/96/75/621109675.db2.gz LTQXRSZYLVUCKY-MFKMUULPSA-N 1 0 321.808 3.417 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1cnn(C)c1 ZINC000922891738 621116147 /nfs/dbraw/zinc/11/61/47/621116147.db2.gz XZWOCFYDUFTZQA-QGZVFWFLSA-N 1 0 322.403 3.251 20 10 DGCDRO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757940 621117918 /nfs/dbraw/zinc/11/79/18/621117918.db2.gz XQBPYXZWVCXMOD-CVEARBPZSA-N 1 0 319.493 3.268 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)c(O)c1C ZINC000857875137 621126448 /nfs/dbraw/zinc/12/64/48/621126448.db2.gz HFURNZDIKRYGBT-KBXCAEBGSA-N 1 0 324.424 3.373 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000922987844 621144054 /nfs/dbraw/zinc/14/40/54/621144054.db2.gz KHZBFOJDVKRRQX-SJORKVTESA-N 1 0 303.789 3.184 20 10 DGCDRO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)nc1 ZINC000858010998 621144080 /nfs/dbraw/zinc/14/40/80/621144080.db2.gz ITMNRIVOMLXJAG-SFHVURJKSA-N 1 0 311.429 3.109 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000922991001 621145160 /nfs/dbraw/zinc/14/51/60/621145160.db2.gz UNVJACGENDHCNT-WBVHZDCISA-N 1 0 321.779 3.323 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@](C)(O)c2ccccc2)cc1F ZINC000858137519 621156636 /nfs/dbraw/zinc/15/66/36/621156636.db2.gz SMRPDLMKMFBUCG-SFHVURJKSA-N 1 0 320.383 3.028 20 10 DGCDRO Cc1ccccc1[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858147917 621158307 /nfs/dbraw/zinc/15/83/07/621158307.db2.gz DQCUQHBMZRLLQA-QGZVFWFLSA-N 1 0 320.383 3.162 20 10 DGCDRO C[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nccs1 ZINC000858156397 621159687 /nfs/dbraw/zinc/15/96/87/621159687.db2.gz HFBPZFDTEIXHMN-SNVBAGLBSA-N 1 0 311.401 3.381 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2COc3ccccc32)cc1F ZINC000858165240 621160660 /nfs/dbraw/zinc/16/06/60/621160660.db2.gz PQCCBBACIYRTNV-ZDUSSCGKSA-N 1 0 318.367 3.297 20 10 DGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000858174289 621161593 /nfs/dbraw/zinc/16/15/93/621161593.db2.gz QYGGAKRFSMXSMU-TZMCWYRMSA-N 1 0 314.223 3.202 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CC23CCCCC3)ccc1N1CCOCC1 ZINC000858190435 621163163 /nfs/dbraw/zinc/16/31/63/621163163.db2.gz CBKGMUGQFGJJRM-SFHVURJKSA-N 1 0 318.436 3.475 20 10 DGCDRO Cc1ccncc1CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858188898 621163311 /nfs/dbraw/zinc/16/33/11/621163311.db2.gz WZQFKBRYGUNGJK-UHFFFAOYSA-N 1 0 305.372 3.067 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCCOC(C)(C)C)cc1F ZINC000858189370 621163475 /nfs/dbraw/zinc/16/34/75/621163475.db2.gz LDVSXCRPDIUBID-UHFFFAOYSA-N 1 0 300.393 3.326 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1F ZINC000858211422 621164981 /nfs/dbraw/zinc/16/49/81/621164981.db2.gz HZRCDILIQXXKHQ-KRWDZBQOSA-N 1 0 314.404 3.123 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2c(Cl)nc(Cl)n2C)c1 ZINC000858237270 621167197 /nfs/dbraw/zinc/16/71/97/621167197.db2.gz IJRGMOPAIMYASD-UHFFFAOYSA-N 1 0 300.189 3.031 20 10 DGCDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000858249135 621168174 /nfs/dbraw/zinc/16/81/74/621168174.db2.gz OLWSPCWXIFUDGR-UHFFFAOYSA-N 1 0 311.429 3.025 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)c(O)c1 ZINC000858252240 621168605 /nfs/dbraw/zinc/16/86/05/621168605.db2.gz ZLCNBNKKOTWZFF-SFHVURJKSA-N 1 0 307.434 3.212 20 10 DGCDRO CCn1nncc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000858440469 621191360 /nfs/dbraw/zinc/19/13/60/621191360.db2.gz VTCRFPRJGRURNJ-OAHLLOKOSA-N 1 0 313.449 3.139 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2COc3cccc(C)c3C2)c1O ZINC000858459944 621194064 /nfs/dbraw/zinc/19/40/64/621194064.db2.gz OTRKZGGXOAOYJJ-ZIAGYGMSSA-N 1 0 313.397 3.364 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCCC2)c1O ZINC000858464169 621194253 /nfs/dbraw/zinc/19/42/53/621194253.db2.gz ILCFFLXMAUIIMK-GOEBONIOSA-N 1 0 318.461 3.458 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000858509896 621200731 /nfs/dbraw/zinc/20/07/31/621200731.db2.gz TYANLBHEJPPQJU-DZGCQCFKSA-N 1 0 303.402 3.312 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(C)cc1O ZINC000858541120 621203037 /nfs/dbraw/zinc/20/30/37/621203037.db2.gz SSLZATJSQCPCCU-INIZCTEOSA-N 1 0 318.461 3.390 20 10 DGCDRO CC[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(C)cc1O ZINC000858541121 621203062 /nfs/dbraw/zinc/20/30/62/621203062.db2.gz SSLZATJSQCPCCU-MRXNPFEDSA-N 1 0 318.461 3.390 20 10 DGCDRO CC[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccccc1O ZINC000858540628 621203149 /nfs/dbraw/zinc/20/31/49/621203149.db2.gz KFAZMBNMXLZTCE-OAHLLOKOSA-N 1 0 304.434 3.082 20 10 DGCDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)o1 ZINC000840794070 621266341 /nfs/dbraw/zinc/26/63/41/621266341.db2.gz CITPLIXQWCOARC-QMMMGPOBSA-N 1 0 311.179 3.302 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000839055901 621319861 /nfs/dbraw/zinc/31/98/61/621319861.db2.gz HMXIHUYZJHNQAX-ZACQAIPSSA-N 1 0 308.491 3.271 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CCC1 ZINC000839145161 621332222 /nfs/dbraw/zinc/33/22/22/621332222.db2.gz MPDOCEBIRHXKGU-GFCCVEGCSA-N 1 0 310.388 3.080 20 10 DGCDRO CC(C)C[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146264 621332909 /nfs/dbraw/zinc/33/29/09/621332909.db2.gz AYDARXJTKCDTHR-ZDUSSCGKSA-N 1 0 312.404 3.326 20 10 DGCDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146528 621333156 /nfs/dbraw/zinc/33/31/56/621333156.db2.gz KVDYOLXEDDGVLC-MLGOLLRUSA-N 1 0 310.388 3.080 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)ccc1OC ZINC000839183065 621344791 /nfs/dbraw/zinc/34/47/91/621344791.db2.gz STBSOPXVTOGEOV-MSOLQXFVSA-N 1 0 319.445 3.279 20 10 DGCDRO Cc1cccc(CNc2ccc(OCC[NH+](C)C)c(F)c2)c1O ZINC000839191484 621346809 /nfs/dbraw/zinc/34/68/09/621346809.db2.gz YVCVIRFQEFIAHV-UHFFFAOYSA-N 1 0 318.392 3.392 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)c1 ZINC000839192783 621347292 /nfs/dbraw/zinc/34/72/92/621347292.db2.gz TUJZQTCYVGOGHR-HOTGVXAUSA-N 1 0 307.434 3.473 20 10 DGCDRO Fc1cc(C[NH2+]C2CCC3(CC3)CC2)ccc1N1CCOCC1 ZINC000752893967 621415005 /nfs/dbraw/zinc/41/50/05/621415005.db2.gz VKVMUFYWUWYPQG-UHFFFAOYSA-N 1 0 318.436 3.475 20 10 DGCDRO COc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1F ZINC000753857678 621469348 /nfs/dbraw/zinc/46/93/48/621469348.db2.gz OMGWDPYYMXQVGR-UHFFFAOYSA-N 1 0 318.367 3.296 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2c(C)noc2C)c1O ZINC000754158026 621492612 /nfs/dbraw/zinc/49/26/12/621492612.db2.gz MXVSXFSMNQLFMX-MRVPVSSYSA-N 1 0 306.337 3.190 20 10 DGCDRO Oc1ccccc1C[N@H+](CCC1OCCCO1)C1CCCC1 ZINC000754656977 621523030 /nfs/dbraw/zinc/52/30/30/621523030.db2.gz QDVBDJWCDALNLV-UHFFFAOYSA-N 1 0 305.418 3.290 20 10 DGCDRO COc1cc(C)cc(CN2CC[NH+](CCC(C)(C)C)CC2)c1O ZINC000754727611 621528586 /nfs/dbraw/zinc/52/85/86/621528586.db2.gz KFFZERSFZASENC-UHFFFAOYSA-N 1 0 320.477 3.263 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1O ZINC000754736216 621529291 /nfs/dbraw/zinc/52/92/91/621529291.db2.gz INZUWIGAHCMAFV-SFHVURJKSA-N 1 0 305.418 3.102 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000754832616 621535864 /nfs/dbraw/zinc/53/58/64/621535864.db2.gz HLVKPPIYQQFPEO-RCCFBDPRSA-N 1 0 300.446 3.190 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1F ZINC000862228183 621563772 /nfs/dbraw/zinc/56/37/72/621563772.db2.gz MVBWNQBSJPEOIG-GFCCVEGCSA-N 1 0 320.387 3.134 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1F ZINC000862359288 621577842 /nfs/dbraw/zinc/57/78/42/621577842.db2.gz HZZGSBFIGKCZAF-KRWDZBQOSA-N 1 0 310.388 3.033 20 10 DGCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862366017 621579413 /nfs/dbraw/zinc/57/94/13/621579413.db2.gz AJFUAOWMAAQBQO-DYVFJYSZSA-N 1 0 323.431 3.089 20 10 DGCDRO COC(=O)CC1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000862369042 621580297 /nfs/dbraw/zinc/58/02/97/621580297.db2.gz SDIVFRNIZLKLQX-IYXRBSQSSA-N 1 0 321.417 3.173 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1F ZINC000862398290 621584602 /nfs/dbraw/zinc/58/46/02/621584602.db2.gz DMQLHRFMMJIRAZ-AWEZNQCLSA-N 1 0 317.383 3.415 20 10 DGCDRO COC(=O)CC1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000862403525 621585731 /nfs/dbraw/zinc/58/57/31/621585731.db2.gz RGOBWTPUMUPNCM-UHFFFAOYSA-N 1 0 311.809 3.257 20 10 DGCDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000862464745 621592454 /nfs/dbraw/zinc/59/24/54/621592454.db2.gz HMRHDBFQTHVMSY-QGZVFWFLSA-N 1 0 314.429 3.028 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C[C@@H]1C ZINC000862476441 621593203 /nfs/dbraw/zinc/59/32/03/621593203.db2.gz UJKRBFJVARDGRB-CWRNSKLLSA-N 1 0 305.418 3.158 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C[C@@H]1C ZINC000862476443 621593259 /nfs/dbraw/zinc/59/32/59/621593259.db2.gz UJKRBFJVARDGRB-NUEKZKHPSA-N 1 0 305.418 3.158 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000862540361 621598251 /nfs/dbraw/zinc/59/82/51/621598251.db2.gz CZTFMPLYNCUFDB-AWEZNQCLSA-N 1 0 322.449 3.354 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccc(F)cc3)C1)OCO2 ZINC000755928541 621604399 /nfs/dbraw/zinc/60/43/99/621604399.db2.gz YGXHUAAJYSITJD-CYBMUJFWSA-N 1 0 315.344 3.250 20 10 DGCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cc(C)ccc2O)o1 ZINC000862759169 621614234 /nfs/dbraw/zinc/61/42/34/621614234.db2.gz XQNNXUPEIPRFLR-UHFFFAOYSA-N 1 0 316.401 3.065 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnn2CC)cc1F ZINC000119153285 621625797 /nfs/dbraw/zinc/62/57/97/621625797.db2.gz ZUQGIPQABRSIOQ-UHFFFAOYSA-N 1 0 304.413 3.178 20 10 DGCDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756356368 621630632 /nfs/dbraw/zinc/63/06/32/621630632.db2.gz AKJRDKCWBPVHNR-YOEHRIQHSA-N 1 0 302.462 3.406 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)c2c1c(F)ccc2O ZINC000756355691 621630688 /nfs/dbraw/zinc/63/06/88/621630688.db2.gz VKYNRNFUCVPQQD-DIOULYMOSA-N 1 0 301.361 3.403 20 10 DGCDRO CCN1CCC[C@H]1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756356365 621630700 /nfs/dbraw/zinc/63/07/00/621630700.db2.gz AKJRDKCWBPVHNR-PBHICJAKSA-N 1 0 302.462 3.406 20 10 DGCDRO C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756362547 621631498 /nfs/dbraw/zinc/63/14/98/621631498.db2.gz JVCMWVUWMFLSKY-NSHDSACASA-N 1 0 321.421 3.260 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1cc(Cl)ccc1O ZINC000756396761 621635224 /nfs/dbraw/zinc/63/52/24/621635224.db2.gz JZTLUIIYICIXTO-OCCSQVGLSA-N 1 0 321.804 3.136 20 10 DGCDRO C[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCCCC1 ZINC000756434035 621638195 /nfs/dbraw/zinc/63/81/95/621638195.db2.gz HTJUVRBXVIIDHA-ZIAGYGMSSA-N 1 0 321.421 3.073 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCCCC2)c2c1c(F)ccc2O ZINC000756433736 621638282 /nfs/dbraw/zinc/63/82/82/621638282.db2.gz YGYRENBFOGVUJQ-JSGCOSHPSA-N 1 0 320.408 3.072 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCOCC(F)(F)F)c2c1c(F)ccc2O ZINC000756467944 621639948 /nfs/dbraw/zinc/63/99/48/621639948.db2.gz AXBNFMOACGVLGA-PSASIEDQSA-N 1 0 307.287 3.248 20 10 DGCDRO C[C@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2O ZINC000756461083 621640166 /nfs/dbraw/zinc/64/01/66/621640166.db2.gz VBKBWIPSKXSEFO-MQAVGNRSSA-N 1 0 313.372 3.328 20 10 DGCDRO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(F)ccc1O ZINC000756480569 621640834 /nfs/dbraw/zinc/64/08/34/621640834.db2.gz RYUCTRATTYIORA-CYBMUJFWSA-N 1 0 300.377 3.198 20 10 DGCDRO C[C@H]([NH2+]CCN1CCc2ccccc21)c1cc(F)ccc1O ZINC000756484426 621641129 /nfs/dbraw/zinc/64/11/29/621641129.db2.gz XIWKKFGACXCRHJ-ZDUSSCGKSA-N 1 0 300.377 3.245 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)cc(C)nc2OC)c1 ZINC000756536195 621645904 /nfs/dbraw/zinc/64/59/04/621645904.db2.gz RFUSVSXEOTXFOI-ZDUSSCGKSA-N 1 0 316.401 3.272 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCCN2CCCCC2=O)c2c1c(F)ccc2O ZINC000756553594 621647675 /nfs/dbraw/zinc/64/76/75/621647675.db2.gz GYFSNNDIUQZLOE-OCCSQVGLSA-N 1 0 320.408 3.072 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCCN2CCCCC2=O)c2c1c(F)ccc2O ZINC000756553589 621647863 /nfs/dbraw/zinc/64/78/63/621647863.db2.gz GYFSNNDIUQZLOE-JSGCOSHPSA-N 1 0 320.408 3.072 20 10 DGCDRO C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(Br)cc1O ZINC000756575336 621650517 /nfs/dbraw/zinc/65/05/17/621650517.db2.gz PGABZHGCBVNGHO-JTQLQIEISA-N 1 0 314.223 3.110 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Br)ccc1O ZINC000756576450 621650567 /nfs/dbraw/zinc/65/05/67/621650567.db2.gz UNZIDDPFJJFTJZ-HZMBPMFUSA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc2ccccc2c1O ZINC000756584770 621651259 /nfs/dbraw/zinc/65/12/59/621651259.db2.gz GKLJQBSRDYQCAR-CYBMUJFWSA-N 1 0 312.413 3.242 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(C)C ZINC000756598754 621652077 /nfs/dbraw/zinc/65/20/77/621652077.db2.gz WSVJRCYYNPFKJE-GXFFZTMASA-N 1 0 316.239 3.476 20 10 DGCDRO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756612046 621652673 /nfs/dbraw/zinc/65/26/73/621652673.db2.gz LSNHJBHJHBWESO-LBPRGKRZSA-N 1 0 312.404 3.443 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756611143 621652762 /nfs/dbraw/zinc/65/27/62/621652762.db2.gz KEPOWSMPXSUDHX-GRDNDAEWSA-N 1 0 302.462 3.404 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756611147 621652822 /nfs/dbraw/zinc/65/28/22/621652822.db2.gz KEPOWSMPXSUDHX-KEYYUXOJSA-N 1 0 302.462 3.404 20 10 DGCDRO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000756614934 621652843 /nfs/dbraw/zinc/65/28/43/621652843.db2.gz CIEVMOFBOAHOOQ-CABCVRRESA-N 1 0 302.462 3.406 20 10 DGCDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756734025 621661303 /nfs/dbraw/zinc/66/13/03/621661303.db2.gz UPPBHURMPKVLJX-JQWIXIFHSA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c(O)c1 ZINC000756741982 621661741 /nfs/dbraw/zinc/66/17/41/621661741.db2.gz ZJMHBJHTSLYUFN-BZNIZROVSA-N 1 0 307.340 3.363 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000756741860 621661924 /nfs/dbraw/zinc/66/19/24/621661924.db2.gz XQDLROJHZYSICU-VFZGTOFNSA-N 1 0 311.303 3.194 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000756757529 621662392 /nfs/dbraw/zinc/66/23/92/621662392.db2.gz OMACARDKHXFAIS-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000756765779 621663240 /nfs/dbraw/zinc/66/32/40/621663240.db2.gz RBPUWQBWIMVGIV-CABCVRRESA-N 1 0 305.418 3.079 20 10 DGCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000756775748 621663961 /nfs/dbraw/zinc/66/39/61/621663961.db2.gz SLNVGFYXALSTJA-JCURWCKSSA-N 1 0 312.413 3.111 20 10 DGCDRO CCc1nnc([C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)[nH]1 ZINC000756778231 621664306 /nfs/dbraw/zinc/66/43/06/621664306.db2.gz NLBBEFSGYKHZIC-QXEWZRGKSA-N 1 0 304.369 3.111 20 10 DGCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC000757000998 621678146 /nfs/dbraw/zinc/67/81/46/621678146.db2.gz CXYSAXPYEMOGFM-LJQANCHMSA-N 1 0 323.440 3.340 20 10 DGCDRO C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000863545921 621682435 /nfs/dbraw/zinc/68/24/35/621682435.db2.gz BHNYBUOUPSIONK-GRDNDAEWSA-N 1 0 305.441 3.217 20 10 DGCDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cccc(C(F)(F)F)c1O ZINC000863543343 621682635 /nfs/dbraw/zinc/68/26/35/621682635.db2.gz MTOSVRNWGKWRGT-JIMOISOXSA-N 1 0 302.340 3.202 20 10 DGCDRO Cc1cc(C[NH2+]C[C@H](O)c2ccccn2)c(C)n1-c1ccccc1 ZINC000863583543 621685434 /nfs/dbraw/zinc/68/54/34/621685434.db2.gz ZIKGCQWXJNCMEC-FQEVSTJZSA-N 1 0 321.424 3.312 20 10 DGCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000839538788 621693044 /nfs/dbraw/zinc/69/30/44/621693044.db2.gz GOAQIBGYDXTILS-JTQLQIEISA-N 1 0 321.398 3.100 20 10 DGCDRO C[C@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[NH+]1CCCCC1 ZINC000757659427 621731962 /nfs/dbraw/zinc/73/19/62/621731962.db2.gz XUINIBASHUJOIU-KGLIPLIRSA-N 1 0 321.421 3.216 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000758507673 621785684 /nfs/dbraw/zinc/78/56/84/621785684.db2.gz WSHUKBIDQOCDFD-GOSISDBHSA-N 1 0 319.408 3.429 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000789545423 625521407 /nfs/dbraw/zinc/52/14/07/625521407.db2.gz LJOIOJRWFVHBSU-IBGZPJMESA-N 1 0 319.445 3.398 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C1(Cc3ccccc3)CCC1)OCO2 ZINC000760719407 621961352 /nfs/dbraw/zinc/96/13/52/621961352.db2.gz WEKYFNQBMRQDSU-UHFFFAOYSA-N 1 0 311.381 3.376 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2nccc(C)c2Br)c1 ZINC000865640455 621968986 /nfs/dbraw/zinc/96/89/86/621968986.db2.gz IQLHZWHKRVZJTE-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000760885974 621971702 /nfs/dbraw/zinc/97/17/02/621971702.db2.gz NDBOGARNYHFYPH-OMWUSAIZSA-N 1 0 319.445 3.116 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H](O)C(F)(F)F ZINC000865712211 621981676 /nfs/dbraw/zinc/98/16/76/621981676.db2.gz YADMNMJLJUHEQE-DOMZBBRYSA-N 1 0 316.367 3.078 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Br)cc1O ZINC000866442875 622119137 /nfs/dbraw/zinc/11/91/37/622119137.db2.gz DQTCZHNDINHJKY-QYTUQVAYSA-N 1 0 314.223 3.371 20 10 DGCDRO CC[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc(N(C)C)cc1 ZINC000866444497 622119664 /nfs/dbraw/zinc/11/96/64/622119664.db2.gz INNONJYATOSIDZ-PVRJCICLSA-N 1 0 300.446 3.217 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c2c1c(F)ccc2O ZINC000866447135 622119957 /nfs/dbraw/zinc/11/99/57/622119957.db2.gz ZDBLWWZOVMRZPC-DPBXLHMCSA-N 1 0 303.377 3.093 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+][C@@H](CC)c2ccc(C)cc2O)on1 ZINC000866515522 622130779 /nfs/dbraw/zinc/13/07/79/622130779.db2.gz JKHBJNCXVCLKJR-AWEZNQCLSA-N 1 0 318.373 3.106 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)c(O)c1C ZINC000866533749 622133890 /nfs/dbraw/zinc/13/38/90/622133890.db2.gz VBCFZRSAMGITCI-JKSUJKDBSA-N 1 0 319.445 3.245 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)c(O)c1C ZINC000866533748 622133946 /nfs/dbraw/zinc/13/39/46/622133946.db2.gz VBCFZRSAMGITCI-HZPDHXFCSA-N 1 0 319.445 3.245 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000866536302 622134401 /nfs/dbraw/zinc/13/44/01/622134401.db2.gz CURWPYOCMDOKLW-FNHZYXHNSA-N 1 0 302.462 3.466 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1cc(F)ccc1O ZINC000866563053 622138673 /nfs/dbraw/zinc/13/86/73/622138673.db2.gz JGJCBJSPIVCLTA-SJKOYZFVSA-N 1 0 300.377 3.369 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2c3ccccc3CN2C)c1 ZINC000866564358 622139465 /nfs/dbraw/zinc/13/94/65/622139465.db2.gz SYDVHRXLTBABPE-ACJLOTCBSA-N 1 0 312.413 3.238 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2c3ccccc3CN2C)c1 ZINC000866564359 622139555 /nfs/dbraw/zinc/13/95/55/622139555.db2.gz SYDVHRXLTBABPE-FZKQIMNGSA-N 1 0 312.413 3.238 20 10 DGCDRO CC1(C)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000121135563 622144917 /nfs/dbraw/zinc/14/49/17/622144917.db2.gz SWHOQSXPEOANDI-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000121166992 622155531 /nfs/dbraw/zinc/15/55/31/622155531.db2.gz UUBLQFVAYXEABR-UHFFFAOYSA-N 1 0 318.804 3.037 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000121850631 622187049 /nfs/dbraw/zinc/18/70/49/622187049.db2.gz FTVFRFCLOCEVOY-KURKYZTESA-N 1 0 300.446 3.108 20 10 DGCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868249034 622228114 /nfs/dbraw/zinc/22/81/14/622228114.db2.gz IJHRRSHCKNNHLV-CABCVRRESA-N 1 0 319.449 3.017 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCC(=O)N(CC)CC)cc1 ZINC000764944393 622235245 /nfs/dbraw/zinc/23/52/45/622235245.db2.gz KAXORARBRNYERM-INIZCTEOSA-N 1 0 319.493 3.442 20 10 DGCDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000122188798 622251927 /nfs/dbraw/zinc/25/19/27/622251927.db2.gz CILOFOQQKJJCII-NSHDSACASA-N 1 0 303.333 3.453 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000765280500 622256441 /nfs/dbraw/zinc/25/64/41/622256441.db2.gz LYORYBVPPPJCMY-AEFFLSMTSA-N 1 0 301.478 3.422 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CCN1CC(F)F ZINC000765719753 622283825 /nfs/dbraw/zinc/28/38/25/622283825.db2.gz YXPPCSAGYJCIKR-OAHLLOKOSA-N 1 0 312.404 3.170 20 10 DGCDRO Cc1nccn1CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000766249025 622314839 /nfs/dbraw/zinc/31/48/39/622314839.db2.gz GTWTXJNMQXDAPA-UHFFFAOYSA-N 1 0 311.385 3.193 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000766583955 622340468 /nfs/dbraw/zinc/34/04/68/622340468.db2.gz LTTCTHFPCFIHFI-DOXZYTNZSA-N 1 0 301.478 3.276 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1 ZINC000767729937 622419121 /nfs/dbraw/zinc/41/91/21/622419121.db2.gz WZLIVKXXHZXOLY-INIZCTEOSA-N 1 0 313.397 3.144 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000768138766 622441518 /nfs/dbraw/zinc/44/15/18/622441518.db2.gz TZVAPSALMNZQBB-UHFFFAOYSA-N 1 0 303.494 3.449 20 10 DGCDRO COc1cccc(O)c1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000768215680 622445909 /nfs/dbraw/zinc/44/59/09/622445909.db2.gz KYEROVHWHXLWEW-UHFFFAOYSA-N 1 0 311.381 3.396 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1OC ZINC000768438634 622455540 /nfs/dbraw/zinc/45/55/40/622455540.db2.gz DAVAPBXOZOWYTN-ZDUSSCGKSA-N 1 0 318.373 3.043 20 10 DGCDRO C[C@H](C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)c1ccccc1 ZINC000768449039 622457049 /nfs/dbraw/zinc/45/70/49/622457049.db2.gz DARQYBBEQLIJHF-ACJLOTCBSA-N 1 0 313.397 3.054 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC3(C1)CCOCC3)CCCC2 ZINC000768465806 622458034 /nfs/dbraw/zinc/45/80/34/622458034.db2.gz LWXUAVFFQAWKDU-UHFFFAOYSA-N 1 0 301.430 3.274 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c(O)cc1C ZINC000768464171 622458290 /nfs/dbraw/zinc/45/82/90/622458290.db2.gz OAGUOJVDMFJPRA-GOSISDBHSA-N 1 0 305.418 3.102 20 10 DGCDRO C[C@@](O)(C1CC[NH+](Cc2cc(F)ccc2O)CC1)C(F)(F)F ZINC000768533988 622462923 /nfs/dbraw/zinc/46/29/23/622462923.db2.gz XGJGYOUSUDZSRR-CQSZACIVSA-N 1 0 321.314 3.057 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000123195005 622480390 /nfs/dbraw/zinc/48/03/90/622480390.db2.gz KHIWMKZHRHLWFY-QGZVFWFLSA-N 1 0 316.445 3.062 20 10 DGCDRO COc1cccc(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1O ZINC000768913686 622484930 /nfs/dbraw/zinc/48/49/30/622484930.db2.gz PGUJOTPLZKHFEI-UXLLHSPISA-N 1 0 318.461 3.238 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c(O)c1 ZINC000769191866 622506849 /nfs/dbraw/zinc/50/68/49/622506849.db2.gz QZLHVJBIFBTIOM-UHFFFAOYSA-N 1 0 313.397 3.097 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1C ZINC000769325783 622517718 /nfs/dbraw/zinc/51/77/18/622517718.db2.gz BCMTVDBBKRYIRI-HNNXBMFYSA-N 1 0 305.418 3.315 20 10 DGCDRO OCCC[N@H+](Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000769326355 622518328 /nfs/dbraw/zinc/51/83/28/622518328.db2.gz KFXUASROYMVXFE-UHFFFAOYSA-N 1 0 305.805 3.430 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccco2)c2c1c(F)ccc2O ZINC000769412772 622525687 /nfs/dbraw/zinc/52/56/87/622525687.db2.gz ISTBOFFZSXGPHL-WXHSDQCUSA-N 1 0 305.349 3.386 20 10 DGCDRO CCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(O)c1 ZINC000769477881 622531896 /nfs/dbraw/zinc/53/18/96/622531896.db2.gz BBPKFGVBCLZKMC-SJORKVTESA-N 1 0 318.461 3.238 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000769514291 622536669 /nfs/dbraw/zinc/53/66/69/622536669.db2.gz IUHPXLHSQTWUQL-ROUUACIJSA-N 1 0 302.462 3.391 20 10 DGCDRO CCOc1ccc(C[N@H+](C)CCOCc2ccccc2)c(O)c1 ZINC000770305893 622619237 /nfs/dbraw/zinc/61/92/37/622619237.db2.gz MTEVCHVIHAEEBV-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(O)cccc2OC)C12CCC2 ZINC000770351758 622624142 /nfs/dbraw/zinc/62/41/42/622624142.db2.gz KQPQYVYPOSCQHC-SJORKVTESA-N 1 0 305.418 3.180 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)ccc1OC ZINC000770738321 622666163 /nfs/dbraw/zinc/66/61/63/622666163.db2.gz HBJWYSYFFCXQCU-GDBMZVCRSA-N 1 0 307.434 3.136 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)cc1 ZINC000872117357 622817812 /nfs/dbraw/zinc/81/78/12/622817812.db2.gz OUDXMRKTYUWDKI-HOCLYGCPSA-N 1 0 304.434 3.137 20 10 DGCDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773024563 622970144 /nfs/dbraw/zinc/97/01/44/622970144.db2.gz IVAIAQLKDYIUIV-IAGOWNOFSA-N 1 0 320.477 3.379 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000773083159 622980063 /nfs/dbraw/zinc/98/00/63/622980063.db2.gz KOQDNMQLPKKTBG-LPHOPBHVSA-N 1 0 318.461 3.211 20 10 DGCDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000773084606 622981069 /nfs/dbraw/zinc/98/10/69/622981069.db2.gz URQGKWXZVDTBLM-KVSKMBFKSA-N 1 0 318.461 3.131 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1OC ZINC000872803609 622982512 /nfs/dbraw/zinc/98/25/12/622982512.db2.gz CGUZQBYPSRFQJV-CQSZACIVSA-N 1 0 319.323 3.184 20 10 DGCDRO C[C@H]([NH2+]CCN1CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773095509 622983112 /nfs/dbraw/zinc/98/31/12/622983112.db2.gz SVETUANNJMBGDN-HNNXBMFYSA-N 1 0 305.441 3.172 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000773103841 622984283 /nfs/dbraw/zinc/98/42/83/622984283.db2.gz LTIIGNWMGMEGLJ-YJBOKZPZSA-N 1 0 302.462 3.489 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccc4nccnc4c3)ccc21 ZINC000873030768 623021546 /nfs/dbraw/zinc/02/15/46/623021546.db2.gz KOGYUISFMLGKNX-UHFFFAOYSA-N 1 0 318.424 3.302 20 10 DGCDRO FC(F)Oc1ccc(N2CCC([NH2+]Cc3ccon3)CC2)cc1 ZINC000873035531 623021917 /nfs/dbraw/zinc/02/19/17/623021917.db2.gz MBAZJEXAZHMHGD-UHFFFAOYSA-N 1 0 323.343 3.035 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1 ZINC000773426796 623026049 /nfs/dbraw/zinc/02/60/49/623026049.db2.gz HEVRFEQRKGLJLL-SFHVURJKSA-N 1 0 318.461 3.308 20 10 DGCDRO CCCOc1ccc(C[NH2+]C2(CO)CCSCC2)cc1C ZINC000873130248 623042931 /nfs/dbraw/zinc/04/29/31/623042931.db2.gz BVKOCRAECUIKCC-UHFFFAOYSA-N 1 0 309.475 3.132 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1Cn1cccn1 ZINC000873134665 623044871 /nfs/dbraw/zinc/04/48/71/623044871.db2.gz SDFRFZKMKXYPIQ-XYJFISCASA-N 1 0 311.429 3.218 20 10 DGCDRO COCC(C)(C)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000873152731 623051631 /nfs/dbraw/zinc/05/16/31/623051631.db2.gz HSBMIWMPYQWBPQ-UHFFFAOYSA-N 1 0 300.393 3.183 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000773805316 623074039 /nfs/dbraw/zinc/07/40/39/623074039.db2.gz SQSPCDAVOJCPNG-GOSISDBHSA-N 1 0 302.462 3.391 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000773810634 623074358 /nfs/dbraw/zinc/07/43/58/623074358.db2.gz VMHZHQCAZUCQEZ-HXUWFJFHSA-N 1 0 310.441 3.066 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000773832304 623075858 /nfs/dbraw/zinc/07/58/58/623075858.db2.gz OSPWOZNYJMAJKO-QZTJIDSGSA-N 1 0 304.478 3.372 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000873258999 623094341 /nfs/dbraw/zinc/09/43/41/623094341.db2.gz XKNITHVNWTYBON-FWDPORAESA-N 1 0 303.233 3.477 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000774129128 623109953 /nfs/dbraw/zinc/10/99/53/623109953.db2.gz AJGHTVVXQPFCBF-KSZLIROESA-N 1 0 302.462 3.436 20 10 DGCDRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482085 623151096 /nfs/dbraw/zinc/15/10/96/623151096.db2.gz FOPLVHYOOLXXOX-UONOGXRCSA-N 1 0 305.466 3.097 20 10 DGCDRO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000775204414 623240934 /nfs/dbraw/zinc/24/09/34/623240934.db2.gz QGCJEBNNMWZIKG-AWEZNQCLSA-N 1 0 313.397 3.492 20 10 DGCDRO COC(=O)CCC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000124920969 623257335 /nfs/dbraw/zinc/25/73/35/623257335.db2.gz YHDMTIYGZDWKPJ-UHFFFAOYSA-N 1 0 322.424 3.057 20 10 DGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC000775374084 623261572 /nfs/dbraw/zinc/26/15/72/623261572.db2.gz GQNSUDRRXICTJH-GOSISDBHSA-N 1 0 306.450 3.210 20 10 DGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000775375816 623261813 /nfs/dbraw/zinc/26/18/13/623261813.db2.gz WXOIIRREWKKZCS-SFHVURJKSA-N 1 0 305.418 3.079 20 10 DGCDRO CC[C@@H]([NH2+]CCSCCCO)c1cc(Cl)ccc1O ZINC000775501287 623281629 /nfs/dbraw/zinc/28/16/29/623281629.db2.gz FUUZIJACTSMLAP-CYBMUJFWSA-N 1 0 303.855 3.202 20 10 DGCDRO CC[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775514162 623283238 /nfs/dbraw/zinc/28/32/38/623283238.db2.gz XJSQTZSFRXVIDX-UKRRQHHQSA-N 1 0 313.825 3.282 20 10 DGCDRO CC[C@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Cl)ccc1O ZINC000775521571 623283742 /nfs/dbraw/zinc/28/37/42/623283742.db2.gz YTYSSWLCSLWPPX-AWEZNQCLSA-N 1 0 310.825 3.145 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000775679247 623312207 /nfs/dbraw/zinc/31/22/07/623312207.db2.gz SAODZERKRJDTOB-IBGZPJMESA-N 1 0 313.397 3.364 20 10 DGCDRO Cc1cc(Br)cc(C[N@H+]2CCSC[C@@H]2C)c1O ZINC000775696400 623315881 /nfs/dbraw/zinc/31/58/81/623315881.db2.gz KIWAAILOASVBNT-JTQLQIEISA-N 1 0 316.264 3.400 20 10 DGCDRO Cc1cccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c1O ZINC000775714611 623317909 /nfs/dbraw/zinc/31/79/09/623317909.db2.gz QDGSVFCMCGOCMV-UHFFFAOYSA-N 1 0 308.422 3.047 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000775969633 623358017 /nfs/dbraw/zinc/35/80/17/623358017.db2.gz YMONDFKVLIQLKS-ZIAGYGMSSA-N 1 0 320.433 3.222 20 10 DGCDRO CCOc1ccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c(O)c1 ZINC000776257345 623402535 /nfs/dbraw/zinc/40/25/35/623402535.db2.gz LUPZKZMARDHAOL-AWEZNQCLSA-N 1 0 307.434 3.069 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCn2cccn2)cc1F ZINC000125272223 623411327 /nfs/dbraw/zinc/41/13/27/623411327.db2.gz BZURTCUIHPXFEC-UHFFFAOYSA-N 1 0 304.413 3.000 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c(O)c1 ZINC000776948545 623478591 /nfs/dbraw/zinc/47/85/91/623478591.db2.gz FKSXFNCWOLXYMZ-RDJZCZTQSA-N 1 0 307.434 3.474 20 10 DGCDRO COCC1([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000777237162 623507647 /nfs/dbraw/zinc/50/76/47/623507647.db2.gz HGFBERBNNJQTAJ-ZDUSSCGKSA-N 1 0 324.852 3.006 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3nc4ccccc4o3)cc2)CC1 ZINC000777505584 623533113 /nfs/dbraw/zinc/53/31/13/623533113.db2.gz RVULAKPQSLRAHC-UHFFFAOYSA-N 1 0 322.412 3.192 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000790482736 625659132 /nfs/dbraw/zinc/65/91/32/625659132.db2.gz CFLWSXHJUBNEDZ-SJORKVTESA-N 1 0 312.461 3.302 20 10 DGCDRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000790486108 625660130 /nfs/dbraw/zinc/66/01/30/625660130.db2.gz LFHZEFAGEIWCTL-RDJZCZTQSA-N 1 0 311.429 3.171 20 10 DGCDRO C[C@H](C1CC1)[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876597117 623655973 /nfs/dbraw/zinc/65/59/73/623655973.db2.gz GJBFSPBEGZJHDM-OAHLLOKOSA-N 1 0 314.473 3.411 20 10 DGCDRO CCOP(=O)(CCC[N@H+](C)Cc1ccccc1O)OCC ZINC000876616031 623660321 /nfs/dbraw/zinc/66/03/21/623660321.db2.gz PIABNMVGMXOKKT-UHFFFAOYSA-N 1 0 315.350 3.480 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)c(Cl)cc1O ZINC000876615674 623660470 /nfs/dbraw/zinc/66/04/70/623660470.db2.gz KQFGYGKIXNWBCN-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1c(C)cccc1O)C2 ZINC000876630372 623664901 /nfs/dbraw/zinc/66/49/01/623664901.db2.gz XSTOHPRLVMQQBR-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CCCC1 ZINC000876654029 623671469 /nfs/dbraw/zinc/67/14/69/623671469.db2.gz WZHQZCXTWOCPAV-UHFFFAOYSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(O)c1 ZINC000876659010 623673187 /nfs/dbraw/zinc/67/31/87/623673187.db2.gz LHQMFKDRNBSQKQ-HNNXBMFYSA-N 1 0 318.461 3.073 20 10 DGCDRO C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1C ZINC000876745779 623695405 /nfs/dbraw/zinc/69/54/05/623695405.db2.gz LSORQTMHMVMLQT-HOTGVXAUSA-N 1 0 302.462 3.126 20 10 DGCDRO C[C@H]([N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1)C1(C)CC1 ZINC000876806537 623711428 /nfs/dbraw/zinc/71/14/28/623711428.db2.gz PZICCFUKODSHSQ-HNNXBMFYSA-N 1 0 302.462 3.268 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000778998072 623718757 /nfs/dbraw/zinc/71/87/57/623718757.db2.gz GXXPZDWEYVEEKX-IAGOWNOFSA-N 1 0 318.461 3.022 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000778998074 623719329 /nfs/dbraw/zinc/71/93/29/623719329.db2.gz GXXPZDWEYVEEKX-SJORKVTESA-N 1 0 318.461 3.022 20 10 DGCDRO COc1ccc(C[NH+](C)C)cc1NCc1c(C)cccc1O ZINC000876845313 623725813 /nfs/dbraw/zinc/72/58/13/623725813.db2.gz QSVNTOSTFQZUMX-UHFFFAOYSA-N 1 0 300.402 3.383 20 10 DGCDRO COc1cc(C[NH2+]Cc2ccc(C)cc2O)cc(OC)c1OC ZINC000876897778 623739095 /nfs/dbraw/zinc/73/90/95/623739095.db2.gz WWIJHHLTNFFXRO-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(O)(C(F)F)CC2)cc1 ZINC000779208259 623741963 /nfs/dbraw/zinc/74/19/63/623741963.db2.gz GDZLIXWQFGLJOF-UHFFFAOYSA-N 1 0 312.404 3.125 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccccc2CN2CCCC2=O)c(O)c1 ZINC000876926138 623745593 /nfs/dbraw/zinc/74/55/93/623745593.db2.gz XQRSNKPNKLDZEU-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c(O)c1 ZINC000876940284 623750290 /nfs/dbraw/zinc/75/02/90/623750290.db2.gz TVVWDAUSRVGPCV-GOSISDBHSA-N 1 0 324.424 3.154 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CC1(F)F ZINC000876944058 623751269 /nfs/dbraw/zinc/75/12/69/623751269.db2.gz XFZXZGBIYLHQAB-DOMZBBRYSA-N 1 0 312.429 3.373 20 10 DGCDRO COc1ccc(OC)c(CC[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876979101 623758737 /nfs/dbraw/zinc/75/87/37/623758737.db2.gz TVWNWUMBCUKCNT-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO Oc1ccccc1C[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000876995799 623762569 /nfs/dbraw/zinc/76/25/69/623762569.db2.gz IPGADDKSYFBIFA-UHFFFAOYSA-N 1 0 320.396 3.140 20 10 DGCDRO COC(=O)CC[C@H]([NH2+]Cc1ccc(C)cc1O)c1ccccc1 ZINC000877007922 623765084 /nfs/dbraw/zinc/76/50/84/623765084.db2.gz HVEWXAIHILIVCI-KRWDZBQOSA-N 1 0 313.397 3.485 20 10 DGCDRO [O-]c1c(C[NH2+]CCCCC[NH+]2CCCCC2)ccc(F)c1F ZINC000877009476 623765105 /nfs/dbraw/zinc/76/51/05/623765105.db2.gz NTAGZGQFJVCFBQ-UHFFFAOYSA-N 1 0 312.404 3.416 20 10 DGCDRO C[NH+]1CCN(c2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000779431597 623769271 /nfs/dbraw/zinc/76/92/71/623769271.db2.gz MLWHQCNFMWFFGC-UHFFFAOYSA-N 1 0 307.441 3.001 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000779431908 623769388 /nfs/dbraw/zinc/76/93/88/623769388.db2.gz HSINHZKJUAZGPX-CZUORRHYSA-N 1 0 311.809 3.257 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000779475817 623774412 /nfs/dbraw/zinc/77/44/12/623774412.db2.gz HRBOXULPFUUQTP-OAHLLOKOSA-N 1 0 320.433 3.224 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCCC(F)(F)F)cc2)CC1 ZINC000877062691 623780109 /nfs/dbraw/zinc/78/01/09/623780109.db2.gz BPIOFWYAZOGIFA-UHFFFAOYSA-N 1 0 316.367 3.080 20 10 DGCDRO CC[NH+](CC)[C@@H](C(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877077830 623786157 /nfs/dbraw/zinc/78/61/57/623786157.db2.gz WABVVWRFKQWJAR-GOSISDBHSA-N 1 0 311.429 3.315 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000877128177 623798862 /nfs/dbraw/zinc/79/88/62/623798862.db2.gz DXGFTOVBCLNHPM-MRXNPFEDSA-N 1 0 309.768 3.316 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000877189322 623822329 /nfs/dbraw/zinc/82/23/29/623822329.db2.gz MKWRILKFOFTHNQ-OCCSQVGLSA-N 1 0 324.415 3.413 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCCS3)cc2)CC1 ZINC000877302757 623845491 /nfs/dbraw/zinc/84/54/91/623845491.db2.gz KELLPFPMLZZBKU-SFHVURJKSA-N 1 0 320.502 3.023 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000877398703 623868149 /nfs/dbraw/zinc/86/81/49/623868149.db2.gz GVHITRZUBDHVIQ-UHFFFAOYSA-N 1 0 312.413 3.016 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000877476483 623900714 /nfs/dbraw/zinc/90/07/14/623900714.db2.gz FZIXITUIGSEABM-IEBWSBKVSA-N 1 0 315.388 3.096 20 10 DGCDRO CCOc1cccc(F)c1C[NH2+]Cc1ccc(OC)cc1O ZINC000877493669 623910347 /nfs/dbraw/zinc/91/03/47/623910347.db2.gz OJKVGYZUFGIKPL-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](OC)C1CCOCC1 ZINC000877503161 623915234 /nfs/dbraw/zinc/91/52/34/623915234.db2.gz DBGBBLBVSPJUBF-IBGZPJMESA-N 1 0 321.461 3.436 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3CCC4(CCC4)CC3)cc2)CC1 ZINC000877520127 623922320 /nfs/dbraw/zinc/92/23/20/623922320.db2.gz OBCUODOFKQTHJC-UHFFFAOYSA-N 1 0 314.473 3.414 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCc2cccnc2)c1 ZINC000877532251 623927863 /nfs/dbraw/zinc/92/78/63/623927863.db2.gz CYVLBVADARPNPP-KBPBESRZSA-N 1 0 300.402 3.468 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c(O)c1 ZINC000877533764 623929100 /nfs/dbraw/zinc/92/91/00/623929100.db2.gz RXHSUZJJVUZSAL-KRWDZBQOSA-N 1 0 302.393 3.232 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000877546984 623936125 /nfs/dbraw/zinc/93/61/25/623936125.db2.gz ZUOBYRQGVBDOQL-HNNXBMFYSA-N 1 0 300.377 3.208 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)sn1 ZINC000877592266 623954403 /nfs/dbraw/zinc/95/44/03/623954403.db2.gz NCXAPHOQBDLEJT-ZDUSSCGKSA-N 1 0 319.474 3.247 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CCC1CCOCC1 ZINC000877592231 623954646 /nfs/dbraw/zinc/95/46/46/623954646.db2.gz MKVACXSXJXOZRC-INIZCTEOSA-N 1 0 304.478 3.398 20 10 DGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C1CSC1 ZINC000877634021 623971718 /nfs/dbraw/zinc/97/17/18/623971718.db2.gz COARKJSJHGXPDG-UHFFFAOYSA-N 1 0 301.411 3.176 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H]3CCCOC3)CC2)cc1 ZINC000780726148 623973498 /nfs/dbraw/zinc/97/34/98/623973498.db2.gz XDWHOAOAQYPEMZ-JKSUJKDBSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@]23C[C@H]2CCCC3)cc1OC ZINC000877686833 623992971 /nfs/dbraw/zinc/99/29/71/623992971.db2.gz ZQHPPXSFYHIONM-DFHBCGBQSA-N 1 0 305.418 3.468 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CC[N@H+](C)C(C)(C)CC2)cc1 ZINC000877701155 623996669 /nfs/dbraw/zinc/99/66/69/623996669.db2.gz MGGWCCYVSRYLDL-VOTSOKGWSA-N 1 0 301.478 3.182 20 10 DGCDRO CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703264 623998587 /nfs/dbraw/zinc/99/85/87/623998587.db2.gz YSOSTYJHGVOHGR-UHFFFAOYSA-N 1 0 306.406 3.011 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000877709913 624000930 /nfs/dbraw/zinc/00/09/30/624000930.db2.gz KTDSLDOAYWJNIT-IEBWSBKVSA-N 1 0 302.462 3.356 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000877709914 624001080 /nfs/dbraw/zinc/00/10/80/624001080.db2.gz KTDSLDOAYWJNIT-MJGOQNOKSA-N 1 0 302.462 3.356 20 10 DGCDRO C[C@@H]([NH2+]Cc1c(Cl)nc(Cl)n1C)c1ccccc1O ZINC000877756353 624023118 /nfs/dbraw/zinc/02/31/18/624023118.db2.gz IFDCVENHBXJOKA-MRVPVSSYSA-N 1 0 300.189 3.283 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCC[C@H]3C=CCC3)cc2)CC1 ZINC000877805494 624040272 /nfs/dbraw/zinc/04/02/72/624040272.db2.gz JZWPFOHQFVYFCS-KRWDZBQOSA-N 1 0 314.473 3.484 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)OC)C2)c1O ZINC000877818073 624048870 /nfs/dbraw/zinc/04/88/70/624048870.db2.gz DORHLUUHKFRRCK-AWEZNQCLSA-N 1 0 305.418 3.120 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000877825419 624057661 /nfs/dbraw/zinc/05/76/61/624057661.db2.gz ZYEVIMBVCSHARO-WCQYABFASA-N 1 0 303.324 3.242 20 10 DGCDRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000781895919 624166610 /nfs/dbraw/zinc/16/66/10/624166610.db2.gz YWWIQCGKXXFBGE-ZDUSSCGKSA-N 1 0 310.397 3.431 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCC2(CCOCC2)O1 ZINC000878150869 624190600 /nfs/dbraw/zinc/19/06/00/624190600.db2.gz JVGREQSORZXKRD-QGZVFWFLSA-N 1 0 319.445 3.332 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccncc3)C1)CCC2 ZINC000782291843 624234444 /nfs/dbraw/zinc/23/44/44/624234444.db2.gz QHEFZHAVPWXQRR-INIZCTEOSA-N 1 0 308.425 3.341 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000878362559 624256834 /nfs/dbraw/zinc/25/68/34/624256834.db2.gz CWIJEVHNKZCKKV-NVXWUHKLSA-N 1 0 319.445 3.409 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)c(O)c1 ZINC000782535219 624261212 /nfs/dbraw/zinc/26/12/12/624261212.db2.gz LTHUANNFUGRCIK-GOSISDBHSA-N 1 0 307.434 3.212 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000878455210 624282453 /nfs/dbraw/zinc/28/24/53/624282453.db2.gz SQFHONNSDZBDHR-MAUKXSAKSA-N 1 0 318.461 3.131 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000878455209 624282475 /nfs/dbraw/zinc/28/24/75/624282475.db2.gz SQFHONNSDZBDHR-CRAIPNDOSA-N 1 0 318.461 3.131 20 10 DGCDRO COCC[N@H+](Cc1cc(C)cc(C(C)(C)C)c1O)[C@H]1CCOC1 ZINC000782959408 624294725 /nfs/dbraw/zinc/29/47/25/624294725.db2.gz BWQXPXYMLLSGGA-INIZCTEOSA-N 1 0 321.461 3.235 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C2CCC2)C1=O ZINC000878565696 624309409 /nfs/dbraw/zinc/30/94/09/624309409.db2.gz RCACNUUSJINXHJ-QGZVFWFLSA-N 1 0 316.445 3.148 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cc(Br)ccc1O ZINC000783308453 624337363 /nfs/dbraw/zinc/33/73/63/624337363.db2.gz DXDABDVOBMRCAY-ZYHUDNBSSA-N 1 0 312.207 3.498 20 10 DGCDRO C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccccc1O ZINC000783519091 624360731 /nfs/dbraw/zinc/36/07/31/624360731.db2.gz SYDDUEMEQLPOGA-AWEZNQCLSA-N 1 0 316.445 3.224 20 10 DGCDRO CCC1([NH+](C)C)CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000879287222 624484241 /nfs/dbraw/zinc/48/42/41/624484241.db2.gz MUKIIKGQWCYGKZ-UHFFFAOYSA-N 1 0 322.424 3.040 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000784625732 624560373 /nfs/dbraw/zinc/56/03/73/624560373.db2.gz MXTYFIYQSHGTFX-MRXNPFEDSA-N 1 0 303.402 3.339 20 10 DGCDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000784626350 624561545 /nfs/dbraw/zinc/56/15/45/624561545.db2.gz QVZYKNJZBFBETM-GOSISDBHSA-N 1 0 309.409 3.277 20 10 DGCDRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879647887 624621036 /nfs/dbraw/zinc/62/10/36/624621036.db2.gz PGYPXXNFRHLPPJ-CHWSQXEVSA-N 1 0 314.385 3.079 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)c1ccccc1O ZINC000879647710 624621272 /nfs/dbraw/zinc/62/12/72/624621272.db2.gz IZLMRPUHDWXUJW-SHARSMKWSA-N 1 0 304.434 3.080 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCc2ccccc21)c1ccccc1O ZINC000879649717 624622667 /nfs/dbraw/zinc/62/26/67/624622667.db2.gz SWXCBDMROIEUPZ-CABCVRRESA-N 1 0 324.424 3.411 20 10 DGCDRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000879649063 624622732 /nfs/dbraw/zinc/62/27/32/624622732.db2.gz KXHQKTLMPGCZHC-KFWWJZLASA-N 1 0 312.413 3.309 20 10 DGCDRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000879650137 624622756 /nfs/dbraw/zinc/62/27/56/624622756.db2.gz KXHQKTLMPGCZHC-ILXRZTDVSA-N 1 0 312.413 3.309 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1ccccc1O ZINC000879649313 624622844 /nfs/dbraw/zinc/62/28/44/624622844.db2.gz NBWBUIBDRIARFK-OAHLLOKOSA-N 1 0 324.424 3.018 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCC(C)CC1)c1ccccc1O ZINC000879649733 624623209 /nfs/dbraw/zinc/62/32/09/624623209.db2.gz TXJZJNACSMVBOR-FUUBYGMNSA-N 1 0 304.434 3.126 20 10 DGCDRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879651887 624624181 /nfs/dbraw/zinc/62/41/81/624624181.db2.gz OHZWCBWDCADBMU-GJZGRUSLSA-N 1 0 312.413 3.056 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccccc1O ZINC000879652370 624626346 /nfs/dbraw/zinc/62/63/46/624626346.db2.gz ZIVFGSXTDRHIGW-GXTWGEPZSA-N 1 0 321.804 3.136 20 10 DGCDRO C[C@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000785438763 624666311 /nfs/dbraw/zinc/66/63/11/624666311.db2.gz IPRPJABADMFQHJ-CQSZACIVSA-N 1 0 321.465 3.098 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC000880568858 624979396 /nfs/dbraw/zinc/97/93/96/624979396.db2.gz FJEWIJNGPSBWIB-HXUWFJFHSA-N 1 0 320.440 3.480 20 10 DGCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)[C@H]1C ZINC000787245165 624991415 /nfs/dbraw/zinc/99/14/15/624991415.db2.gz ZWOMSXYIKWKIQS-ZFWWWQNUSA-N 1 0 305.418 3.207 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000787289176 624997159 /nfs/dbraw/zinc/99/71/59/624997159.db2.gz FNPYYWRZCRYSID-OAHLLOKOSA-N 1 0 316.376 3.278 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000787289175 624997182 /nfs/dbraw/zinc/99/71/82/624997182.db2.gz FNPYYWRZCRYSID-HNNXBMFYSA-N 1 0 316.376 3.278 20 10 DGCDRO CO[C@H](CC[NH2+]Cc1cc(Cl)cc(C)c1O)C(F)(F)F ZINC000787417748 625008462 /nfs/dbraw/zinc/00/84/62/625008462.db2.gz POPNQHMIHCDBOI-LLVKDONJSA-N 1 0 311.731 3.411 20 10 DGCDRO CO[C@@H](CC[NH2+]Cc1cc(Cl)cc(C)c1O)C(F)(F)F ZINC000787417750 625008486 /nfs/dbraw/zinc/00/84/86/625008486.db2.gz POPNQHMIHCDBOI-NSHDSACASA-N 1 0 311.731 3.411 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1 ZINC000788257668 625105238 /nfs/dbraw/zinc/10/52/38/625105238.db2.gz CHMYTBAECYOXCC-XJKSGUPXSA-N 1 0 317.433 3.225 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2COCc3ccccc32)cc1F ZINC000788585459 625221861 /nfs/dbraw/zinc/22/18/61/625221861.db2.gz VLGDNMJZNJUTPR-KRWDZBQOSA-N 1 0 300.377 3.253 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccn(CC)c2=O)cc1 ZINC000788606122 625227632 /nfs/dbraw/zinc/22/76/32/625227632.db2.gz WGUFHSBRWNTWHJ-HNNXBMFYSA-N 1 0 313.445 3.175 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000788627826 625231549 /nfs/dbraw/zinc/23/15/49/625231549.db2.gz MXRFHKSWSGANFG-ZDUSSCGKSA-N 1 0 320.433 3.279 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1C ZINC000790994623 625733201 /nfs/dbraw/zinc/73/32/01/625733201.db2.gz AARQVHNSKXVEOG-QGZVFWFLSA-N 1 0 313.445 3.428 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ccnc(Cl)c3)cc2)CC1 ZINC000882880427 625841939 /nfs/dbraw/zinc/84/19/39/625841939.db2.gz RJAQHTITNJVCTC-UHFFFAOYSA-N 1 0 316.836 3.099 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000883028688 625903320 /nfs/dbraw/zinc/90/33/20/625903320.db2.gz RQVOELBJNUZHBJ-UHFFFAOYSA-N 1 0 310.388 3.167 20 10 DGCDRO COC1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCCC1 ZINC000792156763 625916464 /nfs/dbraw/zinc/91/64/64/625916464.db2.gz MHFWFXAEOFMRBS-QGZVFWFLSA-N 1 0 319.445 3.332 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H](C)CO ZINC000796311233 626037671 /nfs/dbraw/zinc/03/76/71/626037671.db2.gz VYNCZXYAKJENPV-IAGOWNOFSA-N 1 0 324.468 3.356 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)c(O)c1 ZINC000796481518 626054942 /nfs/dbraw/zinc/05/49/42/626054942.db2.gz IAAFTRJZQYVTDW-AUUYWEPGSA-N 1 0 315.413 3.311 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCOC[C@H]2C)cc1F ZINC000796497491 626056176 /nfs/dbraw/zinc/05/61/76/626056176.db2.gz LOIWQBXJYDUQRM-GDBMZVCRSA-N 1 0 308.441 3.434 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1F ZINC000796497493 626056285 /nfs/dbraw/zinc/05/62/85/626056285.db2.gz LOIWQBXJYDUQRM-HOCLYGCPSA-N 1 0 308.441 3.434 20 10 DGCDRO COc1cc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c(O)cc1C ZINC000799149946 626275352 /nfs/dbraw/zinc/27/53/52/626275352.db2.gz UUBCSPSKDYDRLI-MRXNPFEDSA-N 1 0 315.417 3.170 20 10 DGCDRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000799350585 626294347 /nfs/dbraw/zinc/29/43/47/626294347.db2.gz AAVNYZYBBKRBRO-INIZCTEOSA-N 1 0 305.805 3.129 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000799719887 626324014 /nfs/dbraw/zinc/32/40/14/626324014.db2.gz CDGVURVHXIPNSJ-ZDUSSCGKSA-N 1 0 308.381 3.139 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cc(C)cc(Cl)n2)c(O)c1 ZINC000800285603 626348484 /nfs/dbraw/zinc/34/84/84/626348484.db2.gz MWJBDBAHGXICDX-UHFFFAOYSA-N 1 0 306.793 3.438 20 10 DGCDRO COc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)nn1 ZINC000801517882 626406751 /nfs/dbraw/zinc/40/67/51/626406751.db2.gz WJVULVOHUHLDKK-UHFFFAOYSA-N 1 0 313.401 3.136 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N[C@H](C)CC ZINC000801598169 626411948 /nfs/dbraw/zinc/41/19/48/626411948.db2.gz WOONZYLKLBJXSM-CABCVRRESA-N 1 0 306.450 3.298 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@H](C)[C@@H](C)C1=O ZINC000839969695 626563164 /nfs/dbraw/zinc/56/31/64/626563164.db2.gz LTGUHWGPDUAFAO-JKSUJKDBSA-N 1 0 317.477 3.035 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](OCCOC)C2)cc1 ZINC000802651839 626564927 /nfs/dbraw/zinc/56/49/27/626564927.db2.gz DCZVXUIRTBZHIH-LJQANCHMSA-N 1 0 320.477 3.160 20 10 DGCDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)ccc1O ZINC000802657845 626565110 /nfs/dbraw/zinc/56/51/10/626565110.db2.gz AOHRPDKWYPZLPQ-UHFFFAOYSA-N 1 0 304.321 3.114 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CSC2(C)C)c1O ZINC000802660950 626565870 /nfs/dbraw/zinc/56/58/70/626565870.db2.gz AJSWTJFXURCXER-LLVKDONJSA-N 1 0 316.264 3.447 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](OC(F)F)C3)c2c1 ZINC000802748043 626569279 /nfs/dbraw/zinc/56/92/79/626569279.db2.gz YEAUJPLNFOCIQC-ZDUSSCGKSA-N 1 0 323.339 3.368 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2C=CCC2)c1O ZINC000883238613 626619767 /nfs/dbraw/zinc/61/97/67/626619767.db2.gz IATWAPCZEFEGSW-JTQLQIEISA-N 1 0 312.207 3.219 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000883263428 626628434 /nfs/dbraw/zinc/62/84/34/626628434.db2.gz SKCYKFLMAYHCRJ-JKSUJKDBSA-N 1 0 319.445 3.327 20 10 DGCDRO C=C/C=C/CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000883267563 626630292 /nfs/dbraw/zinc/63/02/92/626630292.db2.gz KFIFTNFXPCBDHC-MBVDDHJVSA-N 1 0 304.409 3.445 20 10 DGCDRO C=C/C=C/CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000883267564 626630581 /nfs/dbraw/zinc/63/05/81/626630581.db2.gz KFIFTNFXPCBDHC-RGDDUWESSA-N 1 0 304.409 3.445 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)cc1 ZINC000883275848 626633197 /nfs/dbraw/zinc/63/31/97/626633197.db2.gz BOULJYXMHITCQI-RDJZCZTQSA-N 1 0 316.445 3.238 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000883288803 626637792 /nfs/dbraw/zinc/63/77/92/626637792.db2.gz RSYKCLUKUXURNA-QGZVFWFLSA-N 1 0 309.457 3.289 20 10 DGCDRO Oc1ccccc1CNc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883346143 626655267 /nfs/dbraw/zinc/65/52/67/626655267.db2.gz SOCGQKOOCWJBCL-IBGZPJMESA-N 1 0 323.440 3.289 20 10 DGCDRO CCOCc1cc(C[NH2+]C2CCC3(COC3)CC2)ccc1OC ZINC000883391527 626671173 /nfs/dbraw/zinc/67/11/73/626671173.db2.gz MWFPHLHKCCQAII-UHFFFAOYSA-N 1 0 319.445 3.281 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cc1 ZINC000132014416 626693763 /nfs/dbraw/zinc/69/37/63/626693763.db2.gz GPCXQAFOTYANPT-OXQOHEQNSA-N 1 0 312.457 3.397 20 10 DGCDRO CC[C@H](CSC)[NH2+]Cc1cc(Br)ccc1O ZINC000132050537 626696172 /nfs/dbraw/zinc/69/61/72/626696172.db2.gz TWMALTVAKJCGRW-LLVKDONJSA-N 1 0 304.253 3.386 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cc(Br)ccc1O ZINC000806170337 626704306 /nfs/dbraw/zinc/70/43/06/626704306.db2.gz YRZJAMCPQAEPLX-UASFKTIASA-N 1 0 306.150 3.459 20 10 DGCDRO Cc1ncc([C@H](C)[NH2+]CCCSc2nccs2)c(C)n1 ZINC000132208597 626707786 /nfs/dbraw/zinc/70/77/86/626707786.db2.gz UVIHDXVFQFBSJV-JTQLQIEISA-N 1 0 308.476 3.383 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+]CCCSc1nccs1 ZINC000132233739 626708183 /nfs/dbraw/zinc/70/81/83/626708183.db2.gz GBHVYEHBRCQOSM-HNNXBMFYSA-N 1 0 322.499 3.473 20 10 DGCDRO COCC(C)(C)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000808428720 626823279 /nfs/dbraw/zinc/82/32/79/626823279.db2.gz NAWRDXXHLDRIFA-UHFFFAOYSA-N 1 0 320.477 3.066 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)c1O ZINC000808684430 626849165 /nfs/dbraw/zinc/84/91/65/626849165.db2.gz NVOXLMUEQPEZSH-WDEREUQCSA-N 1 0 312.841 3.308 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c1O ZINC000808694055 626850111 /nfs/dbraw/zinc/85/01/11/626850111.db2.gz ZGSYAGLNRKKFDK-WFASDCNBSA-N 1 0 308.853 3.489 20 10 DGCDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808697808 626850450 /nfs/dbraw/zinc/85/04/50/626850450.db2.gz WATORWZNKLSGCU-OUJBWJOFSA-N 1 0 303.855 3.117 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)c1O ZINC000808695051 626850467 /nfs/dbraw/zinc/85/04/67/626850467.db2.gz DTJVQXRVVWZUDU-TZMCWYRMSA-N 1 0 313.825 3.200 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c1O ZINC000808701821 626851165 /nfs/dbraw/zinc/85/11/65/626851165.db2.gz JWKLOHAFBAEILM-BFQNTYOBSA-N 1 0 308.853 3.487 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCNc2ncccn2)c1O ZINC000808701025 626851208 /nfs/dbraw/zinc/85/12/08/626851208.db2.gz NYFCOQMENMDXIK-GFCCVEGCSA-N 1 0 320.824 3.297 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1O ZINC000808707859 626851568 /nfs/dbraw/zinc/85/15/68/626851568.db2.gz AXQQACXKCGBOIN-WPRPVWTQSA-N 1 0 311.731 3.318 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1O ZINC000808707527 626851958 /nfs/dbraw/zinc/85/19/58/626851958.db2.gz RHGMIQDQNVIJDE-WCQYABFASA-N 1 0 310.825 3.014 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000808715533 626853194 /nfs/dbraw/zinc/85/31/94/626853194.db2.gz VLILYIHOQWRABP-YPMHNXCESA-N 1 0 305.809 3.216 20 10 DGCDRO OCC[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000809546152 626918571 /nfs/dbraw/zinc/91/85/71/626918571.db2.gz XSFOQIVSIOWCQF-UHFFFAOYSA-N 1 0 322.452 3.206 20 10 DGCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809651840 626932465 /nfs/dbraw/zinc/93/24/65/626932465.db2.gz BFWLDROJCNYQGU-UZLBHIALSA-N 1 0 322.452 3.204 20 10 DGCDRO CCC[N@H+](CCN1CCCC1)Cc1cc(OCC)ccc1O ZINC000809700579 626938382 /nfs/dbraw/zinc/93/83/82/626938382.db2.gz JRLONRUNOJHGQJ-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809701400 626938852 /nfs/dbraw/zinc/93/88/52/626938852.db2.gz XMGSSYZFWYQRKE-GDBMZVCRSA-N 1 0 308.441 3.407 20 10 DGCDRO CCC[N@H+](CCN1CCCCC1)Cc1cccc(OC)c1O ZINC000809705433 626939543 /nfs/dbraw/zinc/93/95/43/626939543.db2.gz UUFBGFOWOJCPTA-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2COC(=O)NC(C)C)c1 ZINC000809720685 626941272 /nfs/dbraw/zinc/94/12/72/626941272.db2.gz KOWXZSYYHCQRRX-INIZCTEOSA-N 1 0 320.433 3.190 20 10 DGCDRO Cc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)NC(C)C)c1O ZINC000809720412 626941351 /nfs/dbraw/zinc/94/13/51/626941351.db2.gz BUFHKQGTDZFKGW-INIZCTEOSA-N 1 0 320.433 3.190 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1 ZINC000809720686 626941438 /nfs/dbraw/zinc/94/14/38/626941438.db2.gz KOWXZSYYHCQRRX-MRXNPFEDSA-N 1 0 320.433 3.190 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000809730174 626942350 /nfs/dbraw/zinc/94/23/50/626942350.db2.gz CVPNEDATBMUUKI-UHFFFAOYSA-N 1 0 305.761 3.122 20 10 DGCDRO CCOCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000809740152 626943972 /nfs/dbraw/zinc/94/39/72/626943972.db2.gz NCRJNGWLMXFEHS-UHFFFAOYSA-N 1 0 317.385 3.063 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)c1O ZINC000809739935 626944158 /nfs/dbraw/zinc/94/41/58/626944158.db2.gz GZFUEEGTXFITPA-UHFFFAOYSA-N 1 0 315.398 3.142 20 10 DGCDRO O[C@@H](CC[NH2+]Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000809743400 626944945 /nfs/dbraw/zinc/94/49/45/626944945.db2.gz QXACWVQPTFGJMK-HNNXBMFYSA-N 1 0 316.367 3.080 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000809748970 626946049 /nfs/dbraw/zinc/94/60/49/626946049.db2.gz AEQDAUIANCPQGT-CQSZACIVSA-N 1 0 305.418 3.254 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1F ZINC000809766503 626949309 /nfs/dbraw/zinc/94/93/09/626949309.db2.gz ZHYCBLLMVJZXTL-YJBOKZPZSA-N 1 0 321.484 3.444 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c(O)c1 ZINC000809768624 626950472 /nfs/dbraw/zinc/95/04/72/626950472.db2.gz QTPVDXRMUXWRNT-INIZCTEOSA-N 1 0 315.417 3.468 20 10 DGCDRO C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767722 626950482 /nfs/dbraw/zinc/95/04/82/626950482.db2.gz SBDLNVKUHMTCTE-ABAIWWIYSA-N 1 0 312.816 3.101 20 10 DGCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000809778728 626950844 /nfs/dbraw/zinc/95/08/44/626950844.db2.gz VIHJKLXAOVOYQS-AWEZNQCLSA-N 1 0 324.852 3.092 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2COc3c(C)cccc3C2)c1O ZINC000810178207 626985195 /nfs/dbraw/zinc/98/51/95/626985195.db2.gz LGYLAJUAQPGSKM-MRXNPFEDSA-N 1 0 313.397 3.193 20 10 DGCDRO CC[C@H]([NH2+]Cc1nccn1C)c1ccc(C(F)(F)F)cc1O ZINC000810216355 626988768 /nfs/dbraw/zinc/98/87/68/626988768.db2.gz TXKVGNFURCDKKB-LBPRGKRZSA-N 1 0 313.323 3.385 20 10 DGCDRO Cc1nnc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000810243370 626991946 /nfs/dbraw/zinc/99/19/46/626991946.db2.gz NQQPUMQTCQXDJR-LDYMZIIASA-N 1 0 307.394 3.072 20 10 DGCDRO COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000810257208 626993808 /nfs/dbraw/zinc/99/38/08/626993808.db2.gz NEUPWFWMMJWOKW-FUHWJXTLSA-N 1 0 320.477 3.379 20 10 DGCDRO CC[C@H]([NH2+][C@H](CCOC)COC)c1cc(Cl)ccc1O ZINC000810257702 626993925 /nfs/dbraw/zinc/99/39/25/626993925.db2.gz TZSPATLJGTYNGQ-OCCSQVGLSA-N 1 0 301.814 3.138 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CCOC)COC)c1cc(Cl)ccc1O ZINC000810257701 626994174 /nfs/dbraw/zinc/99/41/74/626994174.db2.gz TZSPATLJGTYNGQ-JSGCOSHPSA-N 1 0 301.814 3.138 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2C[C@]23CCOC3)cc1 ZINC000885940445 627065437 /nfs/dbraw/zinc/06/54/37/627065437.db2.gz JQTKFQZTZMLXTE-HKUYNNGSSA-N 1 0 302.462 3.391 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885960111 627070306 /nfs/dbraw/zinc/07/03/06/627070306.db2.gz GXZWXGQZCYOAIF-PKOBYXMFSA-N 1 0 302.462 3.390 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc3c(c2)CCO3)c1OC ZINC000885959906 627070370 /nfs/dbraw/zinc/07/03/70/627070370.db2.gz DQAZHFKGJYMEHD-UHFFFAOYSA-N 1 0 313.397 3.237 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@H]2C[C@@]23CCOC3)C2CC2)cc1 ZINC000885960775 627070766 /nfs/dbraw/zinc/07/07/66/627070766.db2.gz PHBWCFSUJZJTAL-VQIMIIECSA-N 1 0 300.446 3.144 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1C[C@@]12CCOC2 ZINC000886064744 627097318 /nfs/dbraw/zinc/09/73/18/627097318.db2.gz HPNJGSGKZZPCKE-VQIMIIECSA-N 1 0 313.397 3.414 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1C[C@]12CCOC2 ZINC000886064742 627097496 /nfs/dbraw/zinc/09/74/96/627097496.db2.gz HPNJGSGKZZPCKE-LPHOPBHVSA-N 1 0 313.397 3.414 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2F)c(O)c1 ZINC000886674667 627186915 /nfs/dbraw/zinc/18/69/15/627186915.db2.gz PCOWLWVUEZAESV-DZGCQCFKSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c(O)c1 ZINC000886676514 627187416 /nfs/dbraw/zinc/18/74/16/627187416.db2.gz IIHJHHFQNVBIJL-CJNGLKHVSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c(O)c1 ZINC000886677112 627187762 /nfs/dbraw/zinc/18/77/62/627187762.db2.gz RIJQBJRTSMLKFD-YOEHRIQHSA-N 1 0 317.404 3.402 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c(O)c1C ZINC000886764204 627201743 /nfs/dbraw/zinc/20/17/43/627201743.db2.gz NLNDPXAOIVLZQT-UEABVUSTSA-N 1 0 319.445 3.386 20 10 DGCDRO COc1cccc(CN2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1O ZINC000811508174 627283222 /nfs/dbraw/zinc/28/32/22/627283222.db2.gz DKHSBUOVDYKPMT-QGZVFWFLSA-N 1 0 324.424 3.385 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1F ZINC000811510699 627285569 /nfs/dbraw/zinc/28/55/69/627285569.db2.gz NDUZHVXQCAPQFU-IRXDYDNUSA-N 1 0 306.425 3.281 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000811781141 627322037 /nfs/dbraw/zinc/32/20/37/627322037.db2.gz YYTZGTAXFNGBIV-PBHICJAKSA-N 1 0 305.418 3.099 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000811792603 627322411 /nfs/dbraw/zinc/32/24/11/627322411.db2.gz PZOIYQDOJFRWNA-MAUKXSAKSA-N 1 0 317.429 3.243 20 10 DGCDRO CC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCOC1 ZINC000812297016 627368571 /nfs/dbraw/zinc/36/85/71/627368571.db2.gz VZTWMPNHDNJGKF-AWEZNQCLSA-N 1 0 307.434 3.309 20 10 DGCDRO Cc1cc(C[N@@H+]2CCc3ccc(O)cc3CC2)ccc1N(C)C ZINC000815068460 627622286 /nfs/dbraw/zinc/62/22/86/627622286.db2.gz QRCKIVMDZITADT-UHFFFAOYSA-N 1 0 310.441 3.367 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1 ZINC000815108471 627627828 /nfs/dbraw/zinc/62/78/28/627627828.db2.gz XGBYBSGBMDVEQU-NRFANRHFSA-N 1 0 324.468 3.456 20 10 DGCDRO Cc1cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)ccc1N(C)C ZINC000815121232 627630666 /nfs/dbraw/zinc/63/06/66/627630666.db2.gz SZCVGAYQQUMKFZ-GOSISDBHSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)ccc1N(C)C ZINC000815121337 627630945 /nfs/dbraw/zinc/63/09/45/627630945.db2.gz KYIZKHFHVICDHM-IBGZPJMESA-N 1 0 312.457 3.096 20 10 DGCDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000815122875 627631419 /nfs/dbraw/zinc/63/14/19/627631419.db2.gz QJTQQQWGJWMRSR-GOEBONIOSA-N 1 0 305.418 3.384 20 10 DGCDRO Cc1cc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)ccc1N(C)C ZINC000815232738 627648046 /nfs/dbraw/zinc/64/80/46/627648046.db2.gz OBQHSWNOABWORZ-IBGZPJMESA-N 1 0 304.478 3.292 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCCCCC2=O)c(O)c1 ZINC000815553790 627684154 /nfs/dbraw/zinc/68/41/54/627684154.db2.gz KBFHHMLKQJTMND-INIZCTEOSA-N 1 0 318.461 3.452 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c(O)c1 ZINC000815557685 627684685 /nfs/dbraw/zinc/68/46/85/627684685.db2.gz ARGWYTNIZOTOJC-AWEZNQCLSA-N 1 0 316.445 3.061 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815578309 627687215 /nfs/dbraw/zinc/68/72/15/627687215.db2.gz LWGFLJHDTZDPHS-NEPJUHHUSA-N 1 0 316.367 3.403 20 10 DGCDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000924871438 627689119 /nfs/dbraw/zinc/68/91/19/627689119.db2.gz NEUHAMPXZLVLQI-ROUUACIJSA-N 1 0 302.462 3.220 20 10 DGCDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815626086 627692327 /nfs/dbraw/zinc/69/23/27/627692327.db2.gz VIOJCGSAOQYNJF-AWEZNQCLSA-N 1 0 320.433 3.138 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000815633514 627693667 /nfs/dbraw/zinc/69/36/67/627693667.db2.gz PVHRBJUOLKXDHT-ZFWWWQNUSA-N 1 0 306.450 3.212 20 10 DGCDRO Cc1nccnc1CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815651063 627694954 /nfs/dbraw/zinc/69/49/54/627694954.db2.gz JCAPRSXHFWRGGE-IINYFYTJSA-N 1 0 301.365 3.010 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2O)[C@@H]1n1cccn1 ZINC000815659379 627695959 /nfs/dbraw/zinc/69/59/59/627695959.db2.gz AFYDAPWLTAHDGY-ATLSCFEFSA-N 1 0 315.417 3.048 20 10 DGCDRO COc1ccnc([C@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000925104416 627708924 /nfs/dbraw/zinc/70/89/24/627708924.db2.gz ZAPPGSCKHLBYBL-NSHDSACASA-N 1 0 309.460 3.380 20 10 DGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000816542974 627805214 /nfs/dbraw/zinc/80/52/14/627805214.db2.gz JIRRQBWNHLNKNA-HNNXBMFYSA-N 1 0 310.441 3.495 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816554856 627806778 /nfs/dbraw/zinc/80/67/78/627806778.db2.gz LAOWWFUBTFULTG-GOSISDBHSA-N 1 0 307.393 3.411 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000816596229 627812181 /nfs/dbraw/zinc/81/21/81/627812181.db2.gz UCLOQHGHERNGMJ-UHFFFAOYSA-N 1 0 312.816 3.291 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccccc2-c2ccnn2C)c1O ZINC000816610361 627814303 /nfs/dbraw/zinc/81/43/03/627814303.db2.gz IDQNAHKEVTZYNG-UHFFFAOYSA-N 1 0 323.396 3.091 20 10 DGCDRO COC(=O)CCCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816610451 627815012 /nfs/dbraw/zinc/81/50/12/627815012.db2.gz KXMDNUCGMVDVRW-UHFFFAOYSA-N 1 0 301.386 3.368 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)cc1F ZINC000816666799 627822685 /nfs/dbraw/zinc/82/26/85/627822685.db2.gz WNVANJRMGIUVKA-OAHLLOKOSA-N 1 0 308.441 3.266 20 10 DGCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000817366508 627890432 /nfs/dbraw/zinc/89/04/32/627890432.db2.gz UHKYTRMSUBBTLZ-CQSZACIVSA-N 1 0 324.380 3.002 20 10 DGCDRO COc1cc(CN(C)C[C@@H]2CCC[N@@H+]2C)c(O)c(C(C)(C)C)c1 ZINC000817372485 627890847 /nfs/dbraw/zinc/89/08/47/627890847.db2.gz IYBFCPVDWDHLGO-HNNXBMFYSA-N 1 0 320.477 3.224 20 10 DGCDRO COC1([C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)CCOCC1 ZINC000817419354 627898259 /nfs/dbraw/zinc/89/82/59/627898259.db2.gz GEWLRFNVTASYQE-GFCCVEGCSA-N 1 0 313.825 3.028 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1ccc(C)cc1O ZINC000817587287 627926803 /nfs/dbraw/zinc/92/68/03/627926803.db2.gz DKVOSHCBOAAZSB-GOEBONIOSA-N 1 0 307.434 3.325 20 10 DGCDRO CON1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000817587510 627926954 /nfs/dbraw/zinc/92/69/54/627926954.db2.gz GEDQHTOZMFFTPC-CYBMUJFWSA-N 1 0 300.402 3.222 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc(C3CC3)c2)cc1 ZINC000817864416 627951529 /nfs/dbraw/zinc/95/15/29/627951529.db2.gz GTYPFISKDQYKKC-FQEVSTJZSA-N 1 0 309.457 3.420 20 10 DGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000817938169 627966826 /nfs/dbraw/zinc/96/68/26/627966826.db2.gz GABVGLMDLRQUFL-SGTLLEGYSA-N 1 0 319.399 3.381 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCC[C@H]2CCCF)cc1 ZINC000817939542 627967697 /nfs/dbraw/zinc/96/76/97/627967697.db2.gz CKPXRDZNOFFDJY-JQHSSLGASA-N 1 0 307.457 3.260 20 10 DGCDRO CC[C@@H](Cc1cccs1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817941121 627968408 /nfs/dbraw/zinc/96/84/08/627968408.db2.gz JCZHDNYUFDHOLB-MAUKXSAKSA-N 1 0 317.502 3.425 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCNc3ccccc32)cc1 ZINC000817944338 627969515 /nfs/dbraw/zinc/96/95/15/627969515.db2.gz ZIAJYPZQWCDBEU-UYAOXDASSA-N 1 0 324.472 3.289 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000817942608 627969790 /nfs/dbraw/zinc/96/97/90/627969790.db2.gz PWBBQWVDUSEMOG-VQTJNVASSA-N 1 0 309.457 3.493 20 10 DGCDRO CC[C@H](NCC[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000817953560 627973314 /nfs/dbraw/zinc/97/33/14/627973314.db2.gz OFRPSKMLVVZLMT-ZDUSSCGKSA-N 1 0 302.340 3.204 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)OCCCO2 ZINC000817956045 627973993 /nfs/dbraw/zinc/97/39/93/627973993.db2.gz OLXJZYXNDAPZBS-CQSZACIVSA-N 1 0 312.413 3.323 20 10 DGCDRO COc1cc(C)c([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000817956343 627974022 /nfs/dbraw/zinc/97/40/22/627974022.db2.gz WSGUKQYMXLYPQH-CQSZACIVSA-N 1 0 314.429 3.488 20 10 DGCDRO COC(=O)c1csc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817957409 627974181 /nfs/dbraw/zinc/97/41/81/627974181.db2.gz MBRGWCFFENXPFY-LLVKDONJSA-N 1 0 304.415 3.010 20 10 DGCDRO COCc1cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)ccc1OC ZINC000817955912 627974206 /nfs/dbraw/zinc/97/42/06/627974206.db2.gz LAWGIEJDZIFZJY-CQSZACIVSA-N 1 0 314.429 3.317 20 10 DGCDRO COC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)c(F)c1 ZINC000817957742 627974892 /nfs/dbraw/zinc/97/48/92/627974892.db2.gz OZGDRSIHQGSUGP-QGZVFWFLSA-N 1 0 306.356 3.067 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000817973359 627979935 /nfs/dbraw/zinc/97/99/35/627979935.db2.gz DOBHJONLZKNNOC-YWZLYKJASA-N 1 0 309.457 3.290 20 10 DGCDRO CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817979319 627981321 /nfs/dbraw/zinc/98/13/21/627981321.db2.gz JMRUBEBPHQOYOJ-APPZFPTMSA-N 1 0 321.646 3.196 20 10 DGCDRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1O ZINC000817980284 627982302 /nfs/dbraw/zinc/98/23/02/627982302.db2.gz KMAQIPITWWNOHJ-ABAIWWIYSA-N 1 0 306.356 3.193 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)N[C@@H]2C[NH2+]CCC2(F)F)c1O ZINC000817981878 627982758 /nfs/dbraw/zinc/98/27/58/627982758.db2.gz WNAWLRVPZWIJMZ-BXKDBHETSA-N 1 0 304.768 3.002 20 10 DGCDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000927016139 627998291 /nfs/dbraw/zinc/99/82/91/627998291.db2.gz HRZNSJQUULFBKP-JQWIXIFHSA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c(O)c1 ZINC000927015651 627998323 /nfs/dbraw/zinc/99/83/23/627998323.db2.gz RMXOSOZWFBUWDW-CABCVRRESA-N 1 0 305.418 3.079 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)n1 ZINC000927055626 628003342 /nfs/dbraw/zinc/00/33/42/628003342.db2.gz GLRLNZBOUDHOII-HZSPNIEDSA-N 1 0 313.401 3.251 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cc(Cl)ccc1O ZINC000927059454 628004898 /nfs/dbraw/zinc/00/48/98/628004898.db2.gz COSMJDWCSPHAFN-VGKMCQHDSA-N 1 0 311.809 3.379 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccs3)C2)cc1 ZINC000818220409 628005555 /nfs/dbraw/zinc/00/55/55/628005555.db2.gz JWWRBEHVTWDQDL-AWEZNQCLSA-N 1 0 302.443 3.373 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1O ZINC000927066559 628006218 /nfs/dbraw/zinc/00/62/18/628006218.db2.gz MLDZBMNBLFCMST-DXCKQFNASA-N 1 0 305.418 3.257 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccncc3C)C2)cc1 ZINC000818222413 628006577 /nfs/dbraw/zinc/00/65/77/628006577.db2.gz SHAWGVWERGIILN-INIZCTEOSA-N 1 0 311.429 3.015 20 10 DGCDRO COc1cccc(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1O ZINC000818228149 628007249 /nfs/dbraw/zinc/00/72/49/628007249.db2.gz PGAAYLDFFQKAPM-UHFFFAOYSA-N 1 0 323.433 3.248 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000927071221 628007455 /nfs/dbraw/zinc/00/74/55/628007455.db2.gz XJPPBNIJJZDYHY-WRSAYESZSA-N 1 0 305.418 3.257 20 10 DGCDRO C[C@@H]([NH2+]CCOC1CCOCC1)c1ccc2ccccc2c1O ZINC000927080157 628009772 /nfs/dbraw/zinc/00/97/72/628009772.db2.gz QJQKCMGCRDMADO-CQSZACIVSA-N 1 0 315.413 3.392 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000818343188 628015615 /nfs/dbraw/zinc/01/56/15/628015615.db2.gz ZDBCVTHWSVGHJL-ILRDRHFLSA-N 1 0 300.446 3.300 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cscn3)C2)cc1 ZINC000818342524 628015925 /nfs/dbraw/zinc/01/59/25/628015925.db2.gz SCNKEFKIHPKGSP-UONOGXRCSA-N 1 0 317.458 3.329 20 10 DGCDRO CC[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccccc1O ZINC000927122299 628021676 /nfs/dbraw/zinc/02/16/76/628021676.db2.gz SUTJQMVAGNZTLU-GFCCVEGCSA-N 1 0 304.415 3.162 20 10 DGCDRO C[C@H]1CC2(C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-])CC[NH2+]CC2 ZINC000818430864 628022173 /nfs/dbraw/zinc/02/21/73/628022173.db2.gz AEXCBGJRQALTOY-NSHDSACASA-N 1 0 312.816 3.149 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc(F)ccc1O ZINC000927154868 628027395 /nfs/dbraw/zinc/02/73/95/628027395.db2.gz DZMJYFLIYBHYFN-NRXGSXMXSA-N 1 0 315.388 3.275 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000818941791 628063674 /nfs/dbraw/zinc/06/36/74/628063674.db2.gz RNAGDKQVYYJLGK-SFHVURJKSA-N 1 0 318.848 3.099 20 10 DGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818985243 628072961 /nfs/dbraw/zinc/07/29/61/628072961.db2.gz PJQOQDMGXRUWHZ-LIRRHRJNSA-N 1 0 316.420 3.146 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1C ZINC000818997906 628075487 /nfs/dbraw/zinc/07/54/87/628075487.db2.gz NQYFLNUDLOLJCA-QGZVFWFLSA-N 1 0 319.832 3.350 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000819373084 628143601 /nfs/dbraw/zinc/14/36/01/628143601.db2.gz AZELOEUXZWBFLE-OXQOHEQNSA-N 1 0 312.457 3.315 20 10 DGCDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1cc(F)ccc1O ZINC000822498492 628458087 /nfs/dbraw/zinc/45/80/87/628458087.db2.gz ZDWQYVBSTQCMOC-UHFFFAOYSA-N 1 0 311.397 3.379 20 10 DGCDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000823730359 628590955 /nfs/dbraw/zinc/59/09/55/628590955.db2.gz VHYUNNCTZFGDRD-HHXXYDBFSA-N 1 0 318.461 3.131 20 10 DGCDRO CC[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000823757190 628593484 /nfs/dbraw/zinc/59/34/84/628593484.db2.gz IPGZCAOENTUNEK-FUHWJXTLSA-N 1 0 318.461 3.211 20 10 DGCDRO CC[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000823757192 628593948 /nfs/dbraw/zinc/59/39/48/628593948.db2.gz IPGZCAOENTUNEK-WMZOPIPTSA-N 1 0 318.461 3.211 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H](CO)C2CC2)cc1 ZINC000823882898 628606944 /nfs/dbraw/zinc/60/69/44/628606944.db2.gz SSBYILPJJYNBQD-SFHVURJKSA-N 1 0 316.470 3.245 20 10 DGCDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824272024 628645875 /nfs/dbraw/zinc/64/58/75/628645875.db2.gz PPWGOUOQCLGXJN-WMLDXEAASA-N 1 0 316.470 3.340 20 10 DGCDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824272026 628646044 /nfs/dbraw/zinc/64/60/44/628646044.db2.gz PPWGOUOQCLGXJN-YOEHRIQHSA-N 1 0 316.470 3.340 20 10 DGCDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824382966 628656861 /nfs/dbraw/zinc/65/68/61/628656861.db2.gz IADSVCHSWUKELJ-HNNXBMFYSA-N 1 0 317.502 3.424 20 10 DGCDRO Cc1cc(Cl)cc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1O ZINC000824446001 628661556 /nfs/dbraw/zinc/66/15/56/628661556.db2.gz QBVXGYOASRWANM-LBPRGKRZSA-N 1 0 308.853 3.270 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1O ZINC000824500938 628665471 /nfs/dbraw/zinc/66/54/71/628665471.db2.gz BMMZXSUDEWYGOR-MRXNPFEDSA-N 1 0 323.795 3.186 20 10 DGCDRO CCC[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1O)OC ZINC000824543836 628669029 /nfs/dbraw/zinc/66/90/29/628669029.db2.gz QJKMTFIBDZJERU-ZDUSSCGKSA-N 1 0 316.239 3.368 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1Cl ZINC000824639083 628679337 /nfs/dbraw/zinc/67/93/37/628679337.db2.gz GBZSVKCEOKRMBA-UHFFFAOYSA-N 1 0 305.809 3.457 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000824660778 628680980 /nfs/dbraw/zinc/68/09/80/628680980.db2.gz ICGLCADCZUXVKZ-UHFFFAOYSA-N 1 0 312.291 3.104 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1Cl ZINC000824682567 628683478 /nfs/dbraw/zinc/68/34/78/628683478.db2.gz IBAYVYUGUZFVOL-AWEZNQCLSA-N 1 0 311.809 3.081 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000824695696 628684896 /nfs/dbraw/zinc/68/48/96/628684896.db2.gz BHFCFEKFGLCFBD-LMMKCTJWSA-N 1 0 319.445 3.306 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1(C)C ZINC000824820975 628697089 /nfs/dbraw/zinc/69/70/89/628697089.db2.gz RVKSDBBPQCIZAS-ZDUSSCGKSA-N 1 0 301.789 3.432 20 10 DGCDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824889509 628702942 /nfs/dbraw/zinc/70/29/42/628702942.db2.gz QMUNJTBQISVGPW-GFCCVEGCSA-N 1 0 316.264 3.482 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2nnc3ccccn32)cc1Cl ZINC000825070886 628724882 /nfs/dbraw/zinc/72/48/82/628724882.db2.gz OFQQBZIDLOUHEC-NSHDSACASA-N 1 0 316.792 3.248 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H](OC)C3CC3)CC2)cc1 ZINC000825099382 628727280 /nfs/dbraw/zinc/72/72/80/628727280.db2.gz YNOUWUOMGASPPX-IFXJQAMLSA-N 1 0 318.461 3.067 20 10 DGCDRO CCOc1ccc(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c(O)c1 ZINC000825104180 628728255 /nfs/dbraw/zinc/72/82/55/628728255.db2.gz QEQXVQFTPDDVNC-SJORKVTESA-N 1 0 305.418 3.180 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2cccc(O)c2)c1O ZINC000825124120 628730494 /nfs/dbraw/zinc/73/04/94/628730494.db2.gz IDAVGEQPVLJLOL-LLVKDONJSA-N 1 0 321.804 3.481 20 10 DGCDRO CCOCc1cc(C[NH2+]CCC[C@H]2CCOC2)ccc1OC ZINC000825133526 628731199 /nfs/dbraw/zinc/73/11/99/628731199.db2.gz IUXGDRGZPCNREP-HNNXBMFYSA-N 1 0 307.434 3.138 20 10 DGCDRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000825185902 628735452 /nfs/dbraw/zinc/73/54/52/628735452.db2.gz SVTDUOXUPJWYRV-OAHLLOKOSA-N 1 0 315.413 3.138 20 10 DGCDRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000825185901 628735679 /nfs/dbraw/zinc/73/56/79/628735679.db2.gz SVTDUOXUPJWYRV-HNNXBMFYSA-N 1 0 315.413 3.138 20 10 DGCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825255264 628742785 /nfs/dbraw/zinc/74/27/85/628742785.db2.gz ZGAJYVHOSUBPGH-KRWDZBQOSA-N 1 0 305.805 3.486 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1Cl ZINC000825391015 628757125 /nfs/dbraw/zinc/75/71/25/628757125.db2.gz OHBABEWNFVQTPC-APHBMKBZSA-N 1 0 307.821 3.401 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@H](O)C(F)(F)F ZINC000825390807 628757245 /nfs/dbraw/zinc/75/72/45/628757245.db2.gz LJFRPISMHQSWLY-PWSUYJOCSA-N 1 0 311.731 3.145 20 10 DGCDRO C[N@H+](CCc1ccccn1)Cc1ccc(Br)cc1O ZINC000825501449 628769214 /nfs/dbraw/zinc/76/92/14/628769214.db2.gz PKYYXQFVFBAZEH-UHFFFAOYSA-N 1 0 321.218 3.224 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1Cl ZINC000825556334 628773409 /nfs/dbraw/zinc/77/34/09/628773409.db2.gz QEFZWQVYICWSQZ-LLVKDONJSA-N 1 0 312.841 3.089 20 10 DGCDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825685757 628785797 /nfs/dbraw/zinc/78/57/97/628785797.db2.gz LLYXTIONGYQVHP-SNVBAGLBSA-N 1 0 316.264 3.482 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1Cl ZINC000825715915 628789852 /nfs/dbraw/zinc/78/98/52/628789852.db2.gz JREYYBQVBDNLIJ-CYBMUJFWSA-N 1 0 319.836 3.467 20 10 DGCDRO Cc1cc(O)c(C[N@H+](CCCO)Cc2ccccn2)cc1Cl ZINC000825922016 628810362 /nfs/dbraw/zinc/81/03/62/628810362.db2.gz FCZKAAWFYZHRRH-UHFFFAOYSA-N 1 0 320.820 3.134 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)C2(C[NH3+])CCCC2)cc1 ZINC000826019678 628821043 /nfs/dbraw/zinc/82/10/43/628821043.db2.gz JLHMJIPTRITMBE-UHFFFAOYSA-N 1 0 317.477 3.010 20 10 DGCDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000826043695 628822642 /nfs/dbraw/zinc/82/26/42/628822642.db2.gz OQWIBBJQYDQVLY-DYVFJYSZSA-N 1 0 321.461 3.291 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1Cl ZINC000826064463 628825019 /nfs/dbraw/zinc/82/50/19/628825019.db2.gz KMMAMCOUSUKZLR-RHSMWYFYSA-N 1 0 309.837 3.241 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H](O)C(C)C ZINC000826120787 628829565 /nfs/dbraw/zinc/82/95/65/628829565.db2.gz JBZRNFZTCFQHOT-JSGCOSHPSA-N 1 0 316.239 3.040 20 10 DGCDRO C[C@@H](COCC1CC1)[NH2+]Cc1ccc(Br)cc1O ZINC000826139832 628830662 /nfs/dbraw/zinc/83/06/62/628830662.db2.gz PSTXCZHDWBYTIJ-JTQLQIEISA-N 1 0 314.223 3.059 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000827017694 628913121 /nfs/dbraw/zinc/91/31/21/628913121.db2.gz IHNWLJJVTLMDRA-QCUQMOABSA-N 1 0 300.446 3.124 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)COc2c(F)cccc2F)c1 ZINC000827098409 628921717 /nfs/dbraw/zinc/92/17/17/628921717.db2.gz HLDAFKGZRFDMRT-LLVKDONJSA-N 1 0 323.339 3.236 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000827151698 628929143 /nfs/dbraw/zinc/92/91/43/628929143.db2.gz IGLJGNMTAUVSHJ-UABKOXTMSA-N 1 0 300.446 3.003 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000827237701 628940069 /nfs/dbraw/zinc/94/00/69/628940069.db2.gz WJRAAVIGOJZRCL-RDJZCZTQSA-N 1 0 301.361 3.194 20 10 DGCDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000827283665 628945121 /nfs/dbraw/zinc/94/51/21/628945121.db2.gz RCCOIDZHAKYQNJ-MJGOQNOKSA-N 1 0 300.446 3.145 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000827377067 628953824 /nfs/dbraw/zinc/95/38/24/628953824.db2.gz OOTWAYUAZDXYFA-YOEHRIQHSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1O ZINC000827377359 628954351 /nfs/dbraw/zinc/95/43/51/628954351.db2.gz WOOLTCXEBWLCGW-ZBFHGGJFSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CO)ccc1N1CCCCC1 ZINC000827411221 628956554 /nfs/dbraw/zinc/95/65/54/628956554.db2.gz MYGQADDFRYRTKA-GOSISDBHSA-N 1 0 302.462 3.332 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c(O)c1 ZINC000827537835 628969483 /nfs/dbraw/zinc/96/94/83/628969483.db2.gz IWAUSHQZYDUMMN-UHFFFAOYSA-N 1 0 317.429 3.182 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000827663156 628981391 /nfs/dbraw/zinc/98/13/91/628981391.db2.gz ZDHGPNGLHUOQAF-OAHLLOKOSA-N 1 0 304.478 3.420 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H](OC)C2CCCCC2)cc1OC ZINC000827673874 628982239 /nfs/dbraw/zinc/98/22/39/628982239.db2.gz HXXNELYPBUIOQB-SFHVURJKSA-N 1 0 323.433 3.094 20 10 DGCDRO OCC1([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccncc2)CCC1 ZINC000827934657 629005153 /nfs/dbraw/zinc/00/51/53/629005153.db2.gz MTCUZNTUAPJVTO-IBGZPJMESA-N 1 0 324.424 3.010 20 10 DGCDRO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1O ZINC000827946518 629006682 /nfs/dbraw/zinc/00/66/82/629006682.db2.gz KTBLIRCFKYKFRB-PBHICJAKSA-N 1 0 316.445 3.367 20 10 DGCDRO CCOc1cccc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000827962993 629008965 /nfs/dbraw/zinc/00/89/65/629008965.db2.gz XRAKHRXBNBADEU-BDJLRTHQSA-N 1 0 315.360 3.035 20 10 DGCDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000827978048 629010358 /nfs/dbraw/zinc/01/03/58/629010358.db2.gz HOIWEQGDROQGHU-MAUKXSAKSA-N 1 0 324.424 3.234 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC(C)(C)CC(F)(F)F)cc1OC ZINC000827981518 629010865 /nfs/dbraw/zinc/01/08/65/629010865.db2.gz WNHUCPRBFJHVSU-UHFFFAOYSA-N 1 0 321.339 3.478 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1O ZINC000828554960 629067604 /nfs/dbraw/zinc/06/76/04/629067604.db2.gz INVVUMKCAGJONS-PKOBYXMFSA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(C[N@@H+](C)C2(CO)CCC2)ccc1N1CCCCC1 ZINC000830008766 629216689 /nfs/dbraw/zinc/21/66/89/629216689.db2.gz HTXKQZVPHXQIED-UHFFFAOYSA-N 1 0 302.462 3.332 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2(C)CCCCC2)cc1 ZINC000832266894 629457649 /nfs/dbraw/zinc/45/76/49/629457649.db2.gz KWLDNLKAAXHONE-KRWDZBQOSA-N 1 0 317.477 3.229 20 10 DGCDRO C[C@@H](CC1CCCC1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274834 629458456 /nfs/dbraw/zinc/45/84/56/629458456.db2.gz ZOZGNRBBRNMRFH-KSSFIOAISA-N 1 0 317.477 3.085 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C)CCCCCC2)cc1 ZINC000832286176 629459178 /nfs/dbraw/zinc/45/91/78/629459178.db2.gz WVGQQWHEZHCKSO-KRWDZBQOSA-N 1 0 317.477 3.229 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCC2CCCCC2)cc1 ZINC000832292109 629461031 /nfs/dbraw/zinc/46/10/31/629461031.db2.gz AAJSYXGYGZDHOE-GOSISDBHSA-N 1 0 317.477 3.229 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1O ZINC000832505164 629490964 /nfs/dbraw/zinc/49/09/64/629490964.db2.gz AQGCEDYDEXCJRB-QGZVFWFLSA-N 1 0 323.433 3.453 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCCN1CCc3ccccc3C1)CC2 ZINC000834501730 629718652 /nfs/dbraw/zinc/71/86/52/629718652.db2.gz IBMQOAYYIYRGLT-LJQANCHMSA-N 1 0 322.452 3.418 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(Cn3ccnc3)c1)CC2 ZINC000834507710 629718941 /nfs/dbraw/zinc/71/89/41/629718941.db2.gz CNKCXWSMMFXVIL-SFHVURJKSA-N 1 0 319.408 3.414 20 10 DGCDRO C[C@@H]1CCCN(C(C)(C)C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834531455 629721191 /nfs/dbraw/zinc/72/11/91/629721191.db2.gz ZMIQSRMYNUBNFZ-ZBFHGGJFSA-N 1 0 302.462 3.480 20 10 DGCDRO C[C@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834531453 629721391 /nfs/dbraw/zinc/72/13/91/629721391.db2.gz ZMIQSRMYNUBNFZ-GOEBONIOSA-N 1 0 302.462 3.480 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cn(-c2ccccc2)nn1 ZINC000834680732 629755701 /nfs/dbraw/zinc/75/57/01/629755701.db2.gz HMVGJVAPWBYSMZ-CZUORRHYSA-N 1 0 320.396 3.311 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1COC3(CCCCCC3)O1)CC2 ZINC000834737881 629770235 /nfs/dbraw/zinc/77/02/35/629770235.db2.gz ZPYHLADURJOTOA-JKSUJKDBSA-N 1 0 317.429 3.435 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1COC3(CCCCCC3)O1)CC2 ZINC000834737878 629770489 /nfs/dbraw/zinc/77/04/89/629770489.db2.gz ZPYHLADURJOTOA-CVEARBPZSA-N 1 0 317.429 3.435 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c(N2CCCC2)n1 ZINC000834761740 629774672 /nfs/dbraw/zinc/77/46/72/629774672.db2.gz UNZNYQNRATXYJS-QGZVFWFLSA-N 1 0 323.440 3.473 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c1 ZINC000834828803 629786383 /nfs/dbraw/zinc/78/63/83/629786383.db2.gz ZYDMKXFTEUBGKP-CZUORRHYSA-N 1 0 303.377 3.094 20 10 DGCDRO CC[C@@](C)(C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000834881596 629796057 /nfs/dbraw/zinc/79/60/57/629796057.db2.gz AYYMLBSVWYOCRE-KDOFPFPSSA-N 1 0 324.440 3.128 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nc(-c3ccccn3)n[nH]2)c(O)c1 ZINC000834902472 629803828 /nfs/dbraw/zinc/80/38/28/629803828.db2.gz BAHHZKXYCNXOMY-ZDUSSCGKSA-N 1 0 323.400 3.040 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000834905638 629804744 /nfs/dbraw/zinc/80/47/44/629804744.db2.gz JDGNUEHZMJHDJD-HHXXYDBFSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@H]([NH2+][C@H]1COCC1(C)C)c1cc(Br)ccc1O ZINC000834906247 629804896 /nfs/dbraw/zinc/80/48/96/629804896.db2.gz YQBWXXXJQZJRDR-ZANVPECISA-N 1 0 314.223 3.230 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CCc3cccc(O)c32)cc1C ZINC000834910141 629806601 /nfs/dbraw/zinc/80/66/01/629806601.db2.gz FRFVTJLHHOOLIW-ZWKOTPCHSA-N 1 0 311.425 3.190 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@H]2CCc3cccc(O)c32)cc1C ZINC000834910131 629806875 /nfs/dbraw/zinc/80/68/75/629806875.db2.gz FRFVTJLHHOOLIW-MSOLQXFVSA-N 1 0 311.425 3.190 20 10 DGCDRO CN(C)c1ccc(/C=C\CN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000835026450 629827856 /nfs/dbraw/zinc/82/78/56/629827856.db2.gz WSOWXFMZEVLPMY-LZCIBIBXSA-N 1 0 301.478 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000835026121 629827904 /nfs/dbraw/zinc/82/79/04/629827904.db2.gz QALLTNPEDYRDFJ-NJELEJDNSA-N 1 0 310.445 3.369 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000835026206 629828281 /nfs/dbraw/zinc/82/82/81/629828281.db2.gz SEFLBXDXDNVXAX-CWIOURORSA-N 1 0 300.446 3.267 20 10 DGCDRO Cc1cc(C)n(CCC[NH2+]C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835033036 629829731 /nfs/dbraw/zinc/82/97/31/629829731.db2.gz NUWCRILCYWYMFF-ALCCZGGFSA-N 1 0 312.461 3.259 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035222 629830320 /nfs/dbraw/zinc/83/03/20/629830320.db2.gz IGRHSMMEYAWKDR-CLFYSBASSA-N 1 0 317.477 3.004 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)c2ccccc2F)cc1 ZINC000835036974 629830987 /nfs/dbraw/zinc/83/09/87/629830987.db2.gz SPHLMOHAKBJCHV-ZMBJWTFHSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2nccn2C(F)F)cc1 ZINC000835037495 629831198 /nfs/dbraw/zinc/83/11/98/629831198.db2.gz QCRKNPGYIZTVRD-ONEGZZNKSA-N 1 0 306.360 3.147 20 10 DGCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H](O)Cc1ccccc1 ZINC000835040765 629832003 /nfs/dbraw/zinc/83/20/03/629832003.db2.gz GWDVLUPFXYYQRS-SGPKIUGVSA-N 1 0 324.468 3.348 20 10 DGCDRO CSC1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCOCC1 ZINC000835041316 629832216 /nfs/dbraw/zinc/83/22/16/629832216.db2.gz BAJZMUXKDMAOIQ-PLNGDYQASA-N 1 0 320.502 3.268 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1 ZINC000835040120 629832258 /nfs/dbraw/zinc/83/22/58/629832258.db2.gz ACCMQVLBQGCFKW-LYSGITKLSA-N 1 0 322.452 3.189 20 10 DGCDRO Cc1nccn1CCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041511 629832453 /nfs/dbraw/zinc/83/24/53/629832453.db2.gz XUBDEOZZLGIDMY-SREVYHEPSA-N 1 0 312.461 3.341 20 10 DGCDRO Cc1ccsc1[C@@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042886 629832710 /nfs/dbraw/zinc/83/27/10/629832710.db2.gz LCVCMXSKROOTOR-LAQIPUCWSA-N 1 0 316.470 3.459 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000835042966 629833059 /nfs/dbraw/zinc/83/30/59/629833059.db2.gz ZCXGBPKWVQBQJA-RJXYVRQRSA-N 1 0 312.457 3.313 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000835043694 629833570 /nfs/dbraw/zinc/83/35/70/629833570.db2.gz BETYYTFYLZVMTM-XZJTZLQGSA-N 1 0 302.462 3.249 20 10 DGCDRO COC(=O)CCC(C)(C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835046271 629834887 /nfs/dbraw/zinc/83/48/87/629834887.db2.gz ICVGAOQYEHXMOK-SREVYHEPSA-N 1 0 304.434 3.087 20 10 DGCDRO CCOC(=O)C1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCC1 ZINC000835048374 629835836 /nfs/dbraw/zinc/83/58/36/629835836.db2.gz QQIYGKBEHZWMLN-ALCCZGGFSA-N 1 0 316.445 3.089 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000835049552 629836158 /nfs/dbraw/zinc/83/61/58/629836158.db2.gz KAEYMBVNYXFOJN-QXDJROSASA-N 1 0 300.446 3.409 20 10 DGCDRO Cc1cnn([C@@H]2CC[N@@H+](C/C=C\c3ccc(N(C)C)cc3)C2)c1 ZINC000835052669 629837779 /nfs/dbraw/zinc/83/77/79/629837779.db2.gz ILNPBORSSVVLGW-PHWHVTFISA-N 1 0 310.445 3.218 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ncccc2N(C)C)cc1 ZINC000835055729 629839954 /nfs/dbraw/zinc/83/99/54/629839954.db2.gz NURJZBLTCHRFEF-FNORWQNLSA-N 1 0 310.445 3.017 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2=Cc3ccccc3OC2)cc1F ZINC000102425612 630105490 /nfs/dbraw/zinc/10/54/90/630105490.db2.gz NMHWUGRLDZGKIQ-UHFFFAOYSA-N 1 0 312.388 3.457 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]1C ZINC000840716842 630351282 /nfs/dbraw/zinc/35/12/82/630351282.db2.gz BWTGMDLXGUQUBC-XPGWFJOJSA-N 1 0 316.489 3.420 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@@H](C)O[C@H]3C)CC2)cc1 ZINC000840872325 630370038 /nfs/dbraw/zinc/37/00/38/630370038.db2.gz KNKZXJBVEMUSHJ-PMPSAXMXSA-N 1 0 318.461 3.067 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C3(OC)CCC3)CC2)cc1 ZINC000840884227 630372317 /nfs/dbraw/zinc/37/23/17/630372317.db2.gz KQWBBNXBFWZOGC-HNNXBMFYSA-N 1 0 318.461 3.211 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1 ZINC000840892795 630373693 /nfs/dbraw/zinc/37/36/93/630373693.db2.gz DEYZJTAKCSDNMA-WDYCEAGBSA-N 1 0 304.478 3.397 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000840893518 630373735 /nfs/dbraw/zinc/37/37/35/630373735.db2.gz KHSBBZAMPSWITN-IKGGRYGDSA-N 1 0 304.478 3.397 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)Cc2ccccc2)c(Cl)c1 ZINC000840891642 630373900 /nfs/dbraw/zinc/37/39/00/630373900.db2.gz JMVZDWGFTZZBND-CQSZACIVSA-N 1 0 305.805 3.047 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000840899139 630374616 /nfs/dbraw/zinc/37/46/16/630374616.db2.gz ZHXCXVGOKGNZED-DOTOQJQBSA-N 1 0 312.388 3.387 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840896961 630374672 /nfs/dbraw/zinc/37/46/72/630374672.db2.gz PCXHCBJJURYHLI-KRWDZBQOSA-N 1 0 321.804 3.186 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CSCCS2)c(Cl)c1 ZINC000840904911 630375107 /nfs/dbraw/zinc/37/51/07/630375107.db2.gz LWBJEAGKNXBUKJ-SNVBAGLBSA-N 1 0 303.880 3.292 20 10 DGCDRO CSC1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CCOCC1 ZINC000840904049 630375300 /nfs/dbraw/zinc/37/53/00/630375300.db2.gz JFXGXTJUGJRRRQ-UHFFFAOYSA-N 1 0 315.866 3.356 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCNc2cccc(C)n2)c(Cl)c1 ZINC000840905806 630375883 /nfs/dbraw/zinc/37/58/83/630375883.db2.gz TUAXCEMFAOSQMJ-UHFFFAOYSA-N 1 0 305.809 3.259 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(c3cn[nH]c3)CC2)c(Cl)c1 ZINC000840911551 630376307 /nfs/dbraw/zinc/37/63/07/630376307.db2.gz HCQYVSWLSVDMRE-UHFFFAOYSA-N 1 0 305.809 3.457 20 10 DGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)[nH]1 ZINC000840920254 630378886 /nfs/dbraw/zinc/37/88/86/630378886.db2.gz UNHZHQLBHGUHFK-LBPRGKRZSA-N 1 0 320.824 3.160 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000840933408 630379902 /nfs/dbraw/zinc/37/99/02/630379902.db2.gz FDHUMYOWLPJBFT-HXUWFJFHSA-N 1 0 310.441 3.465 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000840935872 630380669 /nfs/dbraw/zinc/38/06/69/630380669.db2.gz DFFWLWZRIGHUIW-UHFFFAOYSA-N 1 0 310.445 3.061 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000840940468 630381480 /nfs/dbraw/zinc/38/14/80/630381480.db2.gz AHNVMSXCEWBUKT-GOSISDBHSA-N 1 0 310.441 3.414 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000840940469 630381529 /nfs/dbraw/zinc/38/15/29/630381529.db2.gz AHNVMSXCEWBUKT-SFHVURJKSA-N 1 0 310.441 3.414 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c(Cl)c1 ZINC000840941673 630382033 /nfs/dbraw/zinc/38/20/33/630382033.db2.gz HENQSSJZOLJXSX-AWEZNQCLSA-N 1 0 323.795 3.186 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000840951068 630383497 /nfs/dbraw/zinc/38/34/97/630383497.db2.gz XZSINFLFPXVLMJ-HXUWFJFHSA-N 1 0 312.457 3.096 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000840955114 630383882 /nfs/dbraw/zinc/38/38/82/630383882.db2.gz QTWMCNAEVSXSSK-QGZVFWFLSA-N 1 0 301.361 3.230 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000840954198 630383968 /nfs/dbraw/zinc/38/39/68/630383968.db2.gz ALNJCQMVGGCJSD-QUCCMNQESA-N 1 0 314.473 3.439 20 10 DGCDRO COc1cccc(CNc2ccc(C[NH+](C)C)cc2F)c1O ZINC000840958929 630385912 /nfs/dbraw/zinc/38/59/12/630385912.db2.gz WLMUOBZVWBVZJA-UHFFFAOYSA-N 1 0 304.365 3.214 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)ccc1OC ZINC000840962481 630387249 /nfs/dbraw/zinc/38/72/49/630387249.db2.gz DKKBTNRMXMUINI-DZKIICNBSA-N 1 0 307.434 3.135 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000840961717 630387562 /nfs/dbraw/zinc/38/75/62/630387562.db2.gz BUNKWCYAHWIYAD-KRWDZBQOSA-N 1 0 316.420 3.066 20 10 DGCDRO Fc1ccc(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000840976864 630390527 /nfs/dbraw/zinc/39/05/27/630390527.db2.gz GXHCDYHIRSEMMW-QGZVFWFLSA-N 1 0 312.388 3.129 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccc(N)cc2)c(Cl)c1OC ZINC000841033857 630399409 /nfs/dbraw/zinc/39/94/09/630399409.db2.gz CHLVBWCFFYIDSV-UHFFFAOYSA-N 1 0 320.820 3.272 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cc(Cl)cs2)cc1 ZINC000841044057 630401084 /nfs/dbraw/zinc/40/10/84/630401084.db2.gz UPLLPVDGAZQPIW-OAHLLOKOSA-N 1 0 309.866 3.257 20 10 DGCDRO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044574 630401360 /nfs/dbraw/zinc/40/13/60/630401360.db2.gz DIJWMNZSZNUVFA-OXQOHEQNSA-N 1 0 311.473 3.363 20 10 DGCDRO C[C@@H](CCc1ccsc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046136 630401781 /nfs/dbraw/zinc/40/17/81/630401781.db2.gz WWMNZHAFQCMIFE-KBXCAEBGSA-N 1 0 317.502 3.425 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841068081 630404350 /nfs/dbraw/zinc/40/43/50/630404350.db2.gz UNIIMBAXGBBPLF-HXUWFJFHSA-N 1 0 309.457 3.038 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3)c(O)c1 ZINC000841070894 630404388 /nfs/dbraw/zinc/40/43/88/630404388.db2.gz VUFKJXSDBDQTIH-UHFFFAOYSA-N 1 0 312.413 3.439 20 10 DGCDRO Nc1ccc(NC(=O)NCCCCCCC[NH+]2CCCC2)cc1 ZINC000841300852 630425054 /nfs/dbraw/zinc/42/50/54/630425054.db2.gz XEOPNYDDLWFQEX-UHFFFAOYSA-N 1 0 318.465 3.437 20 10 DGCDRO Nc1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000841302325 630425500 /nfs/dbraw/zinc/42/55/00/630425500.db2.gz SXSKOFRKZAERPM-GOSISDBHSA-N 1 0 324.428 3.227 20 10 DGCDRO CC[NH2+]Cc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000841310677 630426628 /nfs/dbraw/zinc/42/66/28/630426628.db2.gz SPTPVOWSCXZPDL-UHFFFAOYSA-N 1 0 313.401 3.166 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841744506 630461297 /nfs/dbraw/zinc/46/12/97/630461297.db2.gz OWYOKULIBXVCEK-GTNSWQLSSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841750437 630461936 /nfs/dbraw/zinc/46/19/36/630461936.db2.gz XGYZLVJOEJFRKT-ABAIWWIYSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(Cl)cc1O ZINC000841748037 630461945 /nfs/dbraw/zinc/46/19/45/630461945.db2.gz GPLPMKLLCAMGGS-TZMCWYRMSA-N 1 0 317.820 3.370 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)c(OC)n1 ZINC000841758055 630462764 /nfs/dbraw/zinc/46/27/64/630462764.db2.gz ROBDTSIYCLLAKR-SNVBAGLBSA-N 1 0 322.792 3.309 20 10 DGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841760170 630462826 /nfs/dbraw/zinc/46/28/26/630462826.db2.gz RKRIQQLOYGOELN-SNVBAGLBSA-N 1 0 323.824 3.201 20 10 DGCDRO CCOc1ccc(CN(C)C(C)(C)C[NH+]2CCCC2)c(O)c1 ZINC000841893512 630474115 /nfs/dbraw/zinc/47/41/15/630474115.db2.gz KYYMZPHDNJFGIP-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2COc2cccnc2C)c1 ZINC000841897011 630474534 /nfs/dbraw/zinc/47/45/34/630474534.db2.gz SISAHJQKWKGOEL-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO CCCC[C@H](C[NH3+])NC(=O)N(CCCC)Cc1ccccc1O ZINC000841958821 630477209 /nfs/dbraw/zinc/47/72/09/630477209.db2.gz TUDFDZNUFDCEFK-MRXNPFEDSA-N 1 0 321.465 3.221 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)c2c1 ZINC000842622002 630555025 /nfs/dbraw/zinc/55/50/25/630555025.db2.gz GIGWESMNQXTRSY-KUHUBIRLSA-N 1 0 313.397 3.165 20 10 DGCDRO OCC[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1F ZINC000842762597 630573362 /nfs/dbraw/zinc/57/33/62/630573362.db2.gz HWXBPQXAGNOBCE-HNNXBMFYSA-N 1 0 309.768 3.398 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000842842679 630584407 /nfs/dbraw/zinc/58/44/07/630584407.db2.gz ZTJLREAJUXDQSQ-OAHLLOKOSA-N 1 0 312.461 3.445 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000842926892 630594068 /nfs/dbraw/zinc/59/40/68/630594068.db2.gz AVYOJJGSRFBQHI-HEHGZKQESA-N 1 0 324.465 3.207 20 10 DGCDRO C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)[C@@H]1C[NH3+] ZINC000843052244 630608852 /nfs/dbraw/zinc/60/88/52/630608852.db2.gz QOWSZDOVTZQUCQ-QFBILLFUSA-N 1 0 301.478 3.236 20 10 DGCDRO Cc1cc(CN2CCCc3cc(C[NH3+])ccc32)cnc1Cl ZINC000843057394 630609255 /nfs/dbraw/zinc/60/92/55/630609255.db2.gz CXNNNMHBRQWSLW-UHFFFAOYSA-N 1 0 301.821 3.455 20 10 DGCDRO CC[NH2+]CC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000843055930 630609430 /nfs/dbraw/zinc/60/94/30/630609430.db2.gz SBXNHWXMTMWCDR-UHFFFAOYSA-N 1 0 300.805 3.006 20 10 DGCDRO COc1cc(C)c(CN2CCCc3cc(C[NH3+])ccc32)c(C)n1 ZINC000843057639 630609556 /nfs/dbraw/zinc/60/95/56/630609556.db2.gz GGQSXAAOEVRUMT-UHFFFAOYSA-N 1 0 311.429 3.119 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1 ZINC000843116976 630615761 /nfs/dbraw/zinc/61/57/61/630615761.db2.gz JCWDASQFJHIKDJ-LJQANCHMSA-N 1 0 313.420 3.038 20 10 DGCDRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1O ZINC000843129445 630617600 /nfs/dbraw/zinc/61/76/00/630617600.db2.gz OUCLSTSNGCRMPN-INIZCTEOSA-N 1 0 302.805 3.104 20 10 DGCDRO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1O ZINC000843129450 630617759 /nfs/dbraw/zinc/61/77/59/630617759.db2.gz OUCLSTSNGCRMPN-MRXNPFEDSA-N 1 0 302.805 3.104 20 10 DGCDRO Cc1ccccc1NC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350190 630648634 /nfs/dbraw/zinc/64/86/34/630648634.db2.gz OOZXFDIWAICQBI-OAHLLOKOSA-N 1 0 323.440 3.234 20 10 DGCDRO Cc1cccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c1C ZINC000843351554 630648775 /nfs/dbraw/zinc/64/87/75/630648775.db2.gz OOJMOXVSMJGNQO-UHFFFAOYSA-N 1 0 323.440 3.153 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000843417150 630654401 /nfs/dbraw/zinc/65/44/01/630654401.db2.gz PWXLXBHBKWIXPH-WMLDXEAASA-N 1 0 305.418 3.182 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843420903 630655749 /nfs/dbraw/zinc/65/57/49/630655749.db2.gz LPOZHZWPSSAWPP-MJGOQNOKSA-N 1 0 300.446 3.288 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1 ZINC000843432148 630658030 /nfs/dbraw/zinc/65/80/30/630658030.db2.gz RFMHRFYTHZTPNB-AWEZNQCLSA-N 1 0 305.418 3.182 20 10 DGCDRO C[C@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000843431706 630658192 /nfs/dbraw/zinc/65/81/92/630658192.db2.gz BUBJQFCCUMSJIB-NBUZRDOWSA-N 1 0 300.446 3.409 20 10 DGCDRO C[C@@H]([NH3+])CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843484229 630662167 /nfs/dbraw/zinc/66/21/67/630662167.db2.gz ITCGKVIVVLGYLR-CABCVRRESA-N 1 0 312.413 3.219 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843506577 630663559 /nfs/dbraw/zinc/66/35/59/630663559.db2.gz ZELXKPIMRQWLQZ-NWDGAFQWSA-N 1 0 317.408 3.089 20 10 DGCDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000105433442 630710125 /nfs/dbraw/zinc/71/01/25/630710125.db2.gz QNNXRVIVACEWSL-UHFFFAOYSA-N 1 0 314.813 3.050 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CCC(C)(C)CC2)cc1 ZINC000844163301 630711338 /nfs/dbraw/zinc/71/13/38/630711338.db2.gz YHRKZBUIFGHMAJ-KRWDZBQOSA-N 1 0 317.477 3.085 20 10 DGCDRO Oc1ccccc1C[NH2+]CCOc1ccc(Br)cc1 ZINC000105461899 630712802 /nfs/dbraw/zinc/71/28/02/630712802.db2.gz IUBMBBXIGYYRJD-UHFFFAOYSA-N 1 0 322.202 3.323 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccccc1O ZINC000844313389 630718308 /nfs/dbraw/zinc/71/83/08/630718308.db2.gz QWAASIIRJXIROV-GFCCVEGCSA-N 1 0 311.307 3.442 20 10 DGCDRO C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccc(N(C)C)cc1 ZINC000844321638 630718947 /nfs/dbraw/zinc/71/89/47/630718947.db2.gz FXVNMQQRHGWMNE-NSHDSACASA-N 1 0 324.350 3.412 20 10 DGCDRO C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000844921884 630983122 /nfs/dbraw/zinc/98/31/22/630983122.db2.gz WBQVABWABXDZGE-VIFPVBQESA-N 1 0 303.233 3.479 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000845971452 631204313 /nfs/dbraw/zinc/20/43/13/631204313.db2.gz KMKOEHIPYVTFCS-LBPRGKRZSA-N 1 0 316.357 3.468 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)c(C)n1C)c1ccccc1O ZINC000845992860 631205083 /nfs/dbraw/zinc/20/50/83/631205083.db2.gz RZKCAMIRHOUXAM-MRXNPFEDSA-N 1 0 316.401 3.067 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016164 631206366 /nfs/dbraw/zinc/20/63/66/631206366.db2.gz UCXSBEZWCJUHCM-UHFFFAOYSA-N 1 0 319.298 3.267 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c1 ZINC000846038534 631207510 /nfs/dbraw/zinc/20/75/10/631207510.db2.gz MTRWNNUERYDHBC-IFXJQAMLSA-N 1 0 315.413 3.177 20 10 DGCDRO CC[C@@H]1C[C@@H](C[N@H+](C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000846051291 631208404 /nfs/dbraw/zinc/20/84/04/631208404.db2.gz FGAGJWARPXPFMS-FUHWJXTLSA-N 1 0 320.477 3.268 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2cc(Cl)ccc2O)cc1OC ZINC000846058156 631208718 /nfs/dbraw/zinc/20/87/18/631208718.db2.gz MEQJLCLIPAENDP-UHFFFAOYSA-N 1 0 323.776 3.058 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1O ZINC000846135723 631211359 /nfs/dbraw/zinc/21/13/59/631211359.db2.gz FUEFSGAORLYPPR-GXTWGEPZSA-N 1 0 320.458 3.416 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccccc2F)c1O ZINC000846136491 631211363 /nfs/dbraw/zinc/21/13/63/631211363.db2.gz IXYLUIRHRMUDTO-LBPRGKRZSA-N 1 0 305.349 3.270 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1O ZINC000846136938 631211393 /nfs/dbraw/zinc/21/13/93/631211393.db2.gz MDVOBKWWLHWYLA-ZDUSSCGKSA-N 1 0 300.402 3.318 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](c2ccccc2)N(C)C)c1O ZINC000846135131 631211426 /nfs/dbraw/zinc/21/14/26/631211426.db2.gz BJKMDNGNDKUQPH-WMLDXEAASA-N 1 0 314.429 3.354 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1O ZINC000846135559 631211451 /nfs/dbraw/zinc/21/14/51/631211451.db2.gz DOUFKHRVIWGLGL-GFCCVEGCSA-N 1 0 315.369 3.023 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)c1O ZINC000846138991 631211458 /nfs/dbraw/zinc/21/14/58/631211458.db2.gz ZIHZASXRHFYYHC-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1O ZINC000846142647 631211710 /nfs/dbraw/zinc/21/17/10/631211710.db2.gz BKEIAZOJHZCRBJ-CYBMUJFWSA-N 1 0 314.385 3.080 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cn3ccc(C)cc3n2)c1O ZINC000846145694 631211987 /nfs/dbraw/zinc/21/19/87/631211987.db2.gz OFYRHGBYAAPNLT-ZDUSSCGKSA-N 1 0 311.385 3.208 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1O ZINC000846146241 631212003 /nfs/dbraw/zinc/21/20/03/631212003.db2.gz LTPXHLPMYDWEML-NSHDSACASA-N 1 0 302.330 3.160 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCN2[C@H](C)CCC[C@@H]2C)c1O ZINC000846147251 631212032 /nfs/dbraw/zinc/21/20/32/631212032.db2.gz UXVCLEOQQLZAPD-ZNMIVQPWSA-N 1 0 306.450 3.314 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c1O ZINC000846147228 631212171 /nfs/dbraw/zinc/21/21/71/631212171.db2.gz UWOSZLRVQXSGGL-OLZOCXBDSA-N 1 0 301.386 3.388 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c1O ZINC000846150979 631212229 /nfs/dbraw/zinc/21/22/29/631212229.db2.gz QYFQLMOCMZLUCR-ACJLOTCBSA-N 1 0 313.397 3.365 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c1O ZINC000846148682 631212247 /nfs/dbraw/zinc/21/22/47/631212247.db2.gz AEYXBONDQMLMFY-NSHDSACASA-N 1 0 323.339 3.409 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c1O ZINC000846157118 631212459 /nfs/dbraw/zinc/21/24/59/631212459.db2.gz AIQFOCRJWJLODR-KGLIPLIRSA-N 1 0 321.417 3.127 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c(F)c1 ZINC000846153198 631212470 /nfs/dbraw/zinc/21/24/70/631212470.db2.gz HOVKNLQHXLJUOY-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c1O ZINC000846157573 631212712 /nfs/dbraw/zinc/21/27/12/631212712.db2.gz FMTCTYLQIZJUTG-ZIAGYGMSSA-N 1 0 307.434 3.240 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c1O ZINC000846157569 631212766 /nfs/dbraw/zinc/21/27/66/631212766.db2.gz FMTCTYLQIZJUTG-KBPBESRZSA-N 1 0 307.434 3.240 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1O ZINC000846165684 631212945 /nfs/dbraw/zinc/21/29/45/631212945.db2.gz XQCVWQWLRHKRGG-IGNZVWTISA-N 1 0 305.418 3.257 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(F)ccc2OC)c1O ZINC000846165297 631212954 /nfs/dbraw/zinc/21/29/54/631212954.db2.gz VBWYWFWMRWTRKH-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c1O ZINC000846164151 631212959 /nfs/dbraw/zinc/21/29/59/631212959.db2.gz NLMWNVOQCSDBQQ-IFXJQAMLSA-N 1 0 315.413 3.349 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c1O ZINC000846165005 631213123 /nfs/dbraw/zinc/21/31/23/631213123.db2.gz KASKISLKKWKYAA-ZFWWWQNUSA-N 1 0 317.433 3.225 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1O ZINC000846168329 631213302 /nfs/dbraw/zinc/21/33/02/631213302.db2.gz SEPISCSRWPZLDZ-RHSMWYFYSA-N 1 0 315.413 3.402 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c1O ZINC000846167920 631213349 /nfs/dbraw/zinc/21/33/49/631213349.db2.gz ODRVQJLCEMUBKZ-JTQLQIEISA-N 1 0 324.327 3.248 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCOC3(CCC3)C2)c1O ZINC000846168191 631213352 /nfs/dbraw/zinc/21/33/52/631213352.db2.gz IBXUEVGJVDTRQA-KGLIPLIRSA-N 1 0 305.418 3.401 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c1O ZINC000846168719 631213368 /nfs/dbraw/zinc/21/33/68/631213368.db2.gz UNGZDLTVMRQDOV-CZUORRHYSA-N 1 0 305.418 3.401 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)c1O ZINC000846173239 631213553 /nfs/dbraw/zinc/21/35/53/631213553.db2.gz QAJRRMLJFGCBBL-UWVGGRQHSA-N 1 0 308.328 3.486 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2c(F)cncc2F)c1O ZINC000846173237 631213562 /nfs/dbraw/zinc/21/35/62/631213562.db2.gz QAJRRMLJFGCBBL-NXEZZACHSA-N 1 0 308.328 3.486 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c1O ZINC000846189000 631214365 /nfs/dbraw/zinc/21/43/65/631214365.db2.gz RVSSOBXHYNXTAO-IQUTYRLHSA-N 1 0 315.413 3.348 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1O ZINC000846205959 631214569 /nfs/dbraw/zinc/21/45/69/631214569.db2.gz LUSXQWLAYNPKGT-UONOGXRCSA-N 1 0 324.424 3.207 20 10 DGCDRO OC[C@H](CCF)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000846210025 631214854 /nfs/dbraw/zinc/21/48/54/631214854.db2.gz WFFPZWYUZGWFSF-FUHWJXTLSA-N 1 0 317.404 3.376 20 10 DGCDRO C[N@H+](CCC(=O)NCc1cc(Cl)ccc1O)C1CCCCC1 ZINC000846472668 631249465 /nfs/dbraw/zinc/24/94/65/631249465.db2.gz DSASLEXVUQKATR-UHFFFAOYSA-N 1 0 324.852 3.316 20 10 DGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CS1 ZINC000848520724 631675629 /nfs/dbraw/zinc/67/56/29/631675629.db2.gz JZFNYUCOIDWCKW-UKRRQHHQSA-N 1 0 324.465 3.036 20 10 DGCDRO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCOC1 ZINC000107670233 631678610 /nfs/dbraw/zinc/67/86/10/631678610.db2.gz BGNKERPSWCMTHL-ZDUSSCGKSA-N 1 0 307.434 3.254 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1O ZINC000848558307 631692317 /nfs/dbraw/zinc/69/23/17/631692317.db2.gz LGICOAGQZZSTMI-MEDUHNTESA-N 1 0 314.360 3.135 20 10 DGCDRO CO[C@@](C)(CO)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000848560154 631692809 /nfs/dbraw/zinc/69/28/09/631692809.db2.gz ZEJMOOOCXGBSQH-VQIMIIECSA-N 1 0 320.477 3.115 20 10 DGCDRO C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000848564741 631695035 /nfs/dbraw/zinc/69/50/35/631695035.db2.gz HSDHUHHGJJOLCI-ZPIQOJFGSA-N 1 0 318.461 3.333 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Cl)ccc1O ZINC000848570172 631698255 /nfs/dbraw/zinc/69/82/55/631698255.db2.gz KEMYMZLLECJMNL-TZMCWYRMSA-N 1 0 324.808 3.070 20 10 DGCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCC(F)(F)CC1 ZINC000848575263 631700480 /nfs/dbraw/zinc/70/04/80/631700480.db2.gz NJGWWLPCOGPOFL-JTQLQIEISA-N 1 0 313.344 3.425 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c1O ZINC000848891692 631774833 /nfs/dbraw/zinc/77/48/33/631774833.db2.gz YAWPZZUVKQWYTN-GOSISDBHSA-N 1 0 316.420 3.486 20 10 DGCDRO CCc1cccc(C[NH2+]CCOc2ccc(OC)cc2)c1O ZINC000848893174 631775839 /nfs/dbraw/zinc/77/58/39/631775839.db2.gz RHMAKBRWEBDCFC-UHFFFAOYSA-N 1 0 301.386 3.132 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000848894937 631776575 /nfs/dbraw/zinc/77/65/75/631776575.db2.gz IFRJFUWEACZSIL-LBPRGKRZSA-N 1 0 313.401 3.296 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@H]([S@@](=O)CC)C2)c1O ZINC000848897416 631777723 /nfs/dbraw/zinc/77/77/23/631777723.db2.gz ILYSMEPHQAYYRG-XFQAVAEZSA-N 1 0 309.475 3.124 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cccc3c2OCCCO3)c1O ZINC000848900169 631778426 /nfs/dbraw/zinc/77/84/26/631778426.db2.gz YDKDEZIJSNERCX-UHFFFAOYSA-N 1 0 313.397 3.406 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000848898845 631778454 /nfs/dbraw/zinc/77/84/54/631778454.db2.gz ZFXRVTBWAMGMJH-PXAZEXFGSA-N 1 0 303.377 3.305 20 10 DGCDRO CCc1cccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1O ZINC000848900159 631778653 /nfs/dbraw/zinc/77/86/53/631778653.db2.gz YCJAUOWGMRASBS-UHFFFAOYSA-N 1 0 318.461 3.129 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](CC)COCC(F)(F)F)c1O ZINC000848916248 631785038 /nfs/dbraw/zinc/78/50/38/631785038.db2.gz RHGUOTNAMWVLRB-ZDUSSCGKSA-N 1 0 305.340 3.402 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](CCO)c2ccccc2F)c1O ZINC000848919431 631786274 /nfs/dbraw/zinc/78/62/74/631786274.db2.gz KSWULKIXIAZDNJ-QGZVFWFLSA-N 1 0 303.377 3.307 20 10 DGCDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000848926878 631791391 /nfs/dbraw/zinc/79/13/91/631791391.db2.gz GMWJHFLUIPPBRW-MRXNPFEDSA-N 1 0 305.418 3.077 20 10 DGCDRO C[C@@H]1CCCN(c2ccc(CNC(=[NH2+])NC3CC3)cc2Cl)C1 ZINC000848986906 631797881 /nfs/dbraw/zinc/79/78/81/631797881.db2.gz KSKKVQGBXXUMLC-GFCCVEGCSA-N 1 0 320.868 3.353 20 10 DGCDRO CC(C)[NH+]1CCN(CCCSc2ncc(Cl)s2)CC1 ZINC000850000511 632025349 /nfs/dbraw/zinc/02/53/49/632025349.db2.gz XRCANBIUNLCWFW-UHFFFAOYSA-N 1 0 319.927 3.305 20 10 DGCDRO CCN1CCC([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850010219 632027621 /nfs/dbraw/zinc/02/76/21/632027621.db2.gz FRKNUOPDZPMMPG-UHFFFAOYSA-N 1 0 320.477 3.272 20 10 DGCDRO CCc1cc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[nH]n1 ZINC000850137119 632064085 /nfs/dbraw/zinc/06/40/85/632064085.db2.gz JDAPUJDAEMUPMU-UHFFFAOYSA-N 1 0 317.433 3.274 20 10 DGCDRO COCC(C)(C)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850306219 632108835 /nfs/dbraw/zinc/10/88/35/632108835.db2.gz DVMMQJUZUDIPKZ-UHFFFAOYSA-N 1 0 309.450 3.461 20 10 DGCDRO COc1cc(C[NH2+]C(C)(C)CN(C)C)c(O)c(C(C)(C)C)c1 ZINC000850322392 632113216 /nfs/dbraw/zinc/11/32/16/632113216.db2.gz ZXAPUHZBFDHUGH-UHFFFAOYSA-N 1 0 308.466 3.128 20 10 DGCDRO CCn1ccc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)n1 ZINC000850323808 632113800 /nfs/dbraw/zinc/11/38/00/632113800.db2.gz GHVSPMTWMJWEFO-UHFFFAOYSA-N 1 0 317.433 3.205 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2COC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850342762 632119327 /nfs/dbraw/zinc/11/93/27/632119327.db2.gz VOHGPDARTMMALD-ZDUSSCGKSA-N 1 0 307.434 3.355 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccsc3C)C2)cc1 ZINC000850347181 632120968 /nfs/dbraw/zinc/12/09/68/632120968.db2.gz PGNLOUVTUSPZOO-OAHLLOKOSA-N 1 0 302.443 3.434 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)C(O)(CC)CC)c1 ZINC000850353424 632123055 /nfs/dbraw/zinc/12/30/55/632123055.db2.gz CAKLRDNWDMKKOU-UHFFFAOYSA-N 1 0 309.450 3.458 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@@H](C)O3)CC2)cc1 ZINC000850379396 632133206 /nfs/dbraw/zinc/13/32/06/632133206.db2.gz NQFDNPZGCKCJHT-BEFAXECRSA-N 1 0 318.461 3.211 20 10 DGCDRO CN(C)c1ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000850381761 632134164 /nfs/dbraw/zinc/13/41/64/632134164.db2.gz JCOOQLDSTKIVFJ-QGZVFWFLSA-N 1 0 301.478 3.249 20 10 DGCDRO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000850386491 632135016 /nfs/dbraw/zinc/13/50/16/632135016.db2.gz JUJUZVVLIMYGRA-FQEVSTJZSA-N 1 0 324.424 3.006 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1O ZINC000850393747 632137952 /nfs/dbraw/zinc/13/79/52/632137952.db2.gz VVFLKCPQUPZDSH-PJXYFTJBSA-N 1 0 312.207 3.051 20 10 DGCDRO CCSC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000850394659 632138012 /nfs/dbraw/zinc/13/80/12/632138012.db2.gz YMTCHRNUYMJALF-UHFFFAOYSA-N 1 0 324.465 3.038 20 10 DGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CS1 ZINC000850406846 632142073 /nfs/dbraw/zinc/14/20/73/632142073.db2.gz WMBRMEYVPDACPB-GDBMZVCRSA-N 1 0 320.502 3.021 20 10 DGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CS1 ZINC000850406849 632142505 /nfs/dbraw/zinc/14/25/05/632142505.db2.gz WMBRMEYVPDACPB-ZBFHGGJFSA-N 1 0 320.502 3.021 20 10 DGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000850411995 632144152 /nfs/dbraw/zinc/14/41/52/632144152.db2.gz QRBYNSFOMKIVLL-SJCJKPOMSA-N 1 0 305.805 3.300 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc(OC)c2C)c1 ZINC000850416493 632146215 /nfs/dbraw/zinc/14/62/15/632146215.db2.gz JUSAATHFLSMPFJ-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850419853 632146555 /nfs/dbraw/zinc/14/65/55/632146555.db2.gz HZKXGZLGJDRDLA-KJOHCHSBSA-N 1 0 310.441 3.478 20 10 DGCDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000850422019 632147698 /nfs/dbraw/zinc/14/76/98/632147698.db2.gz CHBRKTLTPFWJCJ-CQSZACIVSA-N 1 0 306.450 3.210 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCCSCC2)ccc1N1CCOCC1 ZINC000850424456 632148699 /nfs/dbraw/zinc/14/86/99/632148699.db2.gz KJQUSXXITCYBPB-OAHLLOKOSA-N 1 0 324.465 3.038 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCSCC1)c1ccc(N2CCOCC2)cc1 ZINC000850427888 632149534 /nfs/dbraw/zinc/14/95/34/632149534.db2.gz GKEBPEDMQWNFAO-DOTOQJQBSA-N 1 0 320.502 3.460 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)CC1 ZINC000850427200 632149620 /nfs/dbraw/zinc/14/96/20/632149620.db2.gz OUJBCGVZJAZGIS-IBGZPJMESA-N 1 0 314.473 3.318 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850474847 632163853 /nfs/dbraw/zinc/16/38/53/632163853.db2.gz QXDVYIFUSAJQST-RDJZCZTQSA-N 1 0 302.462 3.293 20 10 DGCDRO CC[C@@H]([NH2+]CC[C@@H](COC)OC)c1cc(Cl)ccc1O ZINC000850486944 632167753 /nfs/dbraw/zinc/16/77/53/632167753.db2.gz WOXYOHPRDGSTRV-GXTWGEPZSA-N 1 0 301.814 3.138 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000850486317 632167924 /nfs/dbraw/zinc/16/79/24/632167924.db2.gz AREPDVXMEGKLHN-KXBFYZLASA-N 1 0 302.462 3.489 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000850489186 632168141 /nfs/dbraw/zinc/16/81/41/632168141.db2.gz WGENMJRGCYZOIY-LSDHHAIUSA-N 1 0 306.475 3.149 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cncs3)C2)cc1 ZINC000850488424 632168204 /nfs/dbraw/zinc/16/82/04/632168204.db2.gz MRHHIOCKKBTSBA-QWHCGFSZSA-N 1 0 303.431 3.081 20 10 DGCDRO CCCC[C@H](COC)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850488903 632168355 /nfs/dbraw/zinc/16/83/55/632168355.db2.gz PDNQXYRPVIPUGU-HZPDHXFCSA-N 1 0 306.450 3.069 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CCc3ccco3)C2)cc1 ZINC000850489248 632168383 /nfs/dbraw/zinc/16/83/83/632168383.db2.gz SFVGLCYAFVKOFK-HZPDHXFCSA-N 1 0 314.429 3.478 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCc4cccnc43)C2)cc1 ZINC000850488579 632168458 /nfs/dbraw/zinc/16/84/58/632168458.db2.gz NKDINWXTPUTPOY-LPHOPBHVSA-N 1 0 323.440 3.336 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC(C)(C)OC3(C)C)C2)cc1 ZINC000850489149 632168487 /nfs/dbraw/zinc/16/84/87/632168487.db2.gz RHUKUEQWUOZKKR-YOEHRIQHSA-N 1 0 318.461 3.210 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CC(C)(C)OC3(C)C)C2)cc1 ZINC000850489147 632168548 /nfs/dbraw/zinc/16/85/48/632168548.db2.gz RHUKUEQWUOZKKR-RHSMWYFYSA-N 1 0 318.461 3.210 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 ZINC000850489462 632168587 /nfs/dbraw/zinc/16/85/87/632168587.db2.gz USHXXSIDPCDGOY-APWZRJJASA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC(C)(C)OC3(C)C)C2)cc1 ZINC000850489148 632168592 /nfs/dbraw/zinc/16/85/92/632168592.db2.gz RHUKUEQWUOZKKR-WMLDXEAASA-N 1 0 318.461 3.210 20 10 DGCDRO CC[C@@H]([NH2+][C@H](COC)C1CCOCC1)c1ccc(C)cc1O ZINC000850494747 632170835 /nfs/dbraw/zinc/17/08/35/632170835.db2.gz XXXJSMFCZAMDEU-IAGOWNOFSA-N 1 0 307.434 3.183 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c(O)c1 ZINC000850501067 632172520 /nfs/dbraw/zinc/17/25/20/632172520.db2.gz JPOJFMUOBOFHGD-FQEHYLHMSA-N 1 0 309.475 3.349 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(Cl)ccc1O ZINC000850502941 632173563 /nfs/dbraw/zinc/17/35/63/632173563.db2.gz TVPLUIFYQZEBLE-IUNRRVLSSA-N 1 0 315.866 3.386 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCO[C@@H]2CC2(F)F)c2c1c(F)ccc2O ZINC000850521333 632178197 /nfs/dbraw/zinc/17/81/97/632178197.db2.gz RZPLKHXSAKPTGX-UBHAPETDSA-N 1 0 301.308 3.093 20 10 DGCDRO C[C@H]([NH2+]CCC(C)(C)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000850533105 632183459 /nfs/dbraw/zinc/18/34/59/632183459.db2.gz ZLLOBGGXLNTAMR-ZDUSSCGKSA-N 1 0 312.404 3.451 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCC(C)CC2)c1 ZINC000850543125 632188150 /nfs/dbraw/zinc/18/81/50/632188150.db2.gz FRMAMQOPZXEFLN-GJZGRUSLSA-N 1 0 306.450 3.172 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O ZINC000850555417 632191514 /nfs/dbraw/zinc/19/15/14/632191514.db2.gz IFDJQNHWLGJIII-UKRRQHHQSA-N 1 0 304.434 3.080 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850558880 632193609 /nfs/dbraw/zinc/19/36/09/632193609.db2.gz VAKMKBJBWVOOJM-LSDHHAIUSA-N 1 0 317.477 3.050 20 10 DGCDRO CC(C)C1CC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850568040 632196470 /nfs/dbraw/zinc/19/64/70/632196470.db2.gz OEZZVPHRSAIKCW-UHFFFAOYSA-N 1 0 302.462 3.172 20 10 DGCDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567938 632196544 /nfs/dbraw/zinc/19/65/44/632196544.db2.gz MKWUQNNCEINCLA-AHRSYUTCSA-N 1 0 314.473 3.316 20 10 DGCDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566646 632196608 /nfs/dbraw/zinc/19/66/08/632196608.db2.gz QIFXNOWDDCTXCE-HNNXBMFYSA-N 1 0 302.462 3.316 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1nccn1C ZINC000850573363 632198130 /nfs/dbraw/zinc/19/81/30/632198130.db2.gz YNMBIXGAZCLJCU-NXEZZACHSA-N 1 0 324.222 3.300 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c1O ZINC000850571767 632198179 /nfs/dbraw/zinc/19/81/79/632198179.db2.gz AFCMEQVGFSMWCF-ZQIUZPCESA-N 1 0 315.413 3.216 20 10 DGCDRO CC[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccccc1O ZINC000850573053 632198258 /nfs/dbraw/zinc/19/82/58/632198258.db2.gz ISGZBUODQSCMEC-HNNXBMFYSA-N 1 0 304.434 3.259 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000850583520 632202102 /nfs/dbraw/zinc/20/21/02/632202102.db2.gz OLSNBFBEGRYOCI-PSLIRLAXSA-N 1 0 311.303 3.194 20 10 DGCDRO CCOc1ccc(OCC[N@H+](C)Cc2ccccc2O)cc1 ZINC000109771343 632316665 /nfs/dbraw/zinc/31/66/65/632316665.db2.gz SBAQBAOMBKHHKE-UHFFFAOYSA-N 1 0 301.386 3.302 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)c2ccccn2)cc1 ZINC000851716372 632472548 /nfs/dbraw/zinc/47/25/48/632472548.db2.gz LPLSTBWRPOGRGM-LJQANCHMSA-N 1 0 313.445 3.093 20 10 DGCDRO COc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)on1 ZINC000851771769 632489368 /nfs/dbraw/zinc/48/93/68/632489368.db2.gz OCOVWSNZGXTIMP-UHFFFAOYSA-N 1 0 302.374 3.334 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000851792103 632494554 /nfs/dbraw/zinc/49/45/54/632494554.db2.gz KTMVVQTVYVHIRJ-USXIJHARSA-N 1 0 316.445 3.052 20 10 DGCDRO CC1(C)OC[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)O1 ZINC000851841380 632506685 /nfs/dbraw/zinc/50/66/85/632506685.db2.gz PZQRCBLGCLBNCI-INIZCTEOSA-N 1 0 317.385 3.139 20 10 DGCDRO C[C@@H](c1ccccc1)[N@H+](CCc1cn[nH]n1)Cc1ccccc1O ZINC000851880369 632513128 /nfs/dbraw/zinc/51/31/28/632513128.db2.gz XDZAWJJEOPYVTB-HNNXBMFYSA-N 1 0 322.412 3.316 20 10 DGCDRO C[C@H]([NH3+])C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000110644075 632614540 /nfs/dbraw/zinc/61/45/40/632614540.db2.gz ZSDLWFBIWQJLOS-VIFPVBQESA-N 1 0 303.233 3.258 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(F)ccc1O ZINC000184896995 660194306 /nfs/dbraw/zinc/19/43/06/660194306.db2.gz HHXLFUWSPNBTMZ-LLVKDONJSA-N 1 0 303.333 3.153 20 10 DGCDRO C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1cc(F)ccc1O ZINC000185111589 660202069 /nfs/dbraw/zinc/20/20/69/660202069.db2.gz JFPWDJARXYHLCA-AWEZNQCLSA-N 1 0 302.393 3.314 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000185195567 660206762 /nfs/dbraw/zinc/20/67/62/660206762.db2.gz OBKFSBMZKIHWLM-SJLPKXTDSA-N 1 0 307.434 3.474 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c1 ZINC000185313780 660215143 /nfs/dbraw/zinc/21/51/43/660215143.db2.gz GVDNTMNXTLQGCP-ZDUSSCGKSA-N 1 0 308.422 3.218 20 10 DGCDRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)C2 ZINC000185334388 660216738 /nfs/dbraw/zinc/21/67/38/660216738.db2.gz VJKVZGUUPHSAMH-DZGCQCFKSA-N 1 0 313.397 3.364 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)N(C)C1CC1 ZINC000185369039 660219623 /nfs/dbraw/zinc/21/96/23/660219623.db2.gz RLJCZZGMEDDYOI-KBPBESRZSA-N 1 0 302.462 3.404 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(C)c2)c1 ZINC000186124601 660269031 /nfs/dbraw/zinc/26/90/31/660269031.db2.gz HBSVMDZRPLKPAU-ACJLOTCBSA-N 1 0 301.386 3.093 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cc(F)ccc1O ZINC000186230738 660350595 /nfs/dbraw/zinc/35/05/95/660350595.db2.gz CAVVEUFUNNVVMQ-GXTWGEPZSA-N 1 0 309.381 3.258 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)c(O)c1 ZINC000186474114 660446615 /nfs/dbraw/zinc/44/66/15/660446615.db2.gz CTRCTRQNFBYCEM-AWEZNQCLSA-N 1 0 309.413 3.481 20 10 DGCDRO Cc1cc(C)c(C[NH2+]Cc2ccc(Br)cc2O)cn1 ZINC000701014573 660649995 /nfs/dbraw/zinc/64/99/95/660649995.db2.gz KEDZHROUKYKZHV-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000701914406 660691503 /nfs/dbraw/zinc/69/15/03/660691503.db2.gz FPVZLLLBCOQPSA-GXTWGEPZSA-N 1 0 320.433 3.225 20 10 DGCDRO CCC[C@H](C[NH2+]Cc1cc(Br)ccc1O)OCC ZINC000705288703 660836867 /nfs/dbraw/zinc/83/68/67/660836867.db2.gz AMNULFYHXKLKKH-CYBMUJFWSA-N 1 0 316.239 3.450 20 10 DGCDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706871996 660875808 /nfs/dbraw/zinc/87/58/08/660875808.db2.gz BAZPFESCJROXGZ-KWQFWETISA-N 1 0 302.237 3.138 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)C2CC2)c(C(F)(F)F)c1 ZINC000792976146 660998229 /nfs/dbraw/zinc/99/82/29/660998229.db2.gz PGLPLJOKDZJAAW-HNNXBMFYSA-N 1 0 316.367 3.022 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000793091133 661004318 /nfs/dbraw/zinc/00/43/18/661004318.db2.gz AUCBUACFKSMUQJ-GJZGRUSLSA-N 1 0 316.367 3.165 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@]2(C)CCCOC2)c(C(F)(F)F)c1 ZINC000793060305 661002682 /nfs/dbraw/zinc/00/26/82/661002682.db2.gz YGAWTWOERSFGEG-OAHLLOKOSA-N 1 0 316.367 3.430 20 10 DGCDRO COc1cc(Br)cc(C[NH+]2[C@@H](C)C[C@@H]2C)c1O ZINC000793220119 661014310 /nfs/dbraw/zinc/01/43/10/661014310.db2.gz JYPKDPQHAFWEKH-IUCAKERBSA-N 1 0 300.196 3.146 20 10 DGCDRO CC[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(C)cc1O ZINC000794811618 661106748 /nfs/dbraw/zinc/10/67/48/661106748.db2.gz SLUOFBOARFAUMS-HNNXBMFYSA-N 1 0 320.433 3.361 20 10 DGCDRO CCOc1cccc(C[NH2+]CCCN(C)c2ccccc2)c1O ZINC000074314514 655608052 /nfs/dbraw/zinc/60/80/52/655608052.db2.gz PIEDAUAUTGHXIL-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)cc1OC ZINC000160325824 655608177 /nfs/dbraw/zinc/60/81/77/655608177.db2.gz QKRDIAWZZUZURB-AEFFLSMTSA-N 1 0 323.433 3.045 20 10 DGCDRO CCC(C)(C)OCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000308760251 655744864 /nfs/dbraw/zinc/74/48/64/655744864.db2.gz XRPCXBWAECYDLE-UHFFFAOYSA-N 1 0 301.814 3.349 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC(C)(C)O1 ZINC000065224538 655747942 /nfs/dbraw/zinc/74/79/42/655747942.db2.gz FUHUSZVGFRPAFR-LBPRGKRZSA-N 1 0 307.434 3.395 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000161637119 655809705 /nfs/dbraw/zinc/80/97/05/655809705.db2.gz GNCKDEDSAVWNPW-UHFFFAOYSA-N 1 0 312.413 3.156 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000724910978 655827581 /nfs/dbraw/zinc/82/75/81/655827581.db2.gz BYQHSALYJMAOPV-KGLIPLIRSA-N 1 0 320.433 3.361 20 10 DGCDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000318038051 655840092 /nfs/dbraw/zinc/84/00/92/655840092.db2.gz RJOYPYMMTNBHRB-ZDUSSCGKSA-N 1 0 300.402 3.064 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(NC(N)=O)cc1 ZINC000176985429 655885881 /nfs/dbraw/zinc/88/58/81/655885881.db2.gz MPBLSABUNJLDLM-GHMZBOCLSA-N 1 0 317.364 3.434 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCCc3ccccc3C2)cc1OC ZINC000179444322 655893159 /nfs/dbraw/zinc/89/31/59/655893159.db2.gz OZWZBBJIXNRCBQ-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO CC1(O)CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000177189935 655916545 /nfs/dbraw/zinc/91/65/45/655916545.db2.gz BIEXFWWSSWWASL-UHFFFAOYSA-N 1 0 315.413 3.364 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC1(C)OCCO1 ZINC000715951567 661216263 /nfs/dbraw/zinc/21/62/63/661216263.db2.gz DYKRTXZCZBCPIQ-CABCVRRESA-N 1 0 306.450 3.192 20 10 DGCDRO C[C@H]([NH2+]CCN1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000178311146 656043470 /nfs/dbraw/zinc/04/34/70/656043470.db2.gz AVJKINBZLAQLLQ-KRWDZBQOSA-N 1 0 301.478 3.423 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c1O ZINC000181014932 656096651 /nfs/dbraw/zinc/09/66/51/656096651.db2.gz GQNZVYGQJQMFFD-MRXNPFEDSA-N 1 0 305.418 3.256 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(N(C)C)cc1 ZINC000182134342 656103076 /nfs/dbraw/zinc/10/30/76/656103076.db2.gz IJPODYSRBKVMHX-CRAIPNDOSA-N 1 0 318.461 3.479 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000182412020 656105735 /nfs/dbraw/zinc/10/57/35/656105735.db2.gz IHHLZPWEPCKXQW-GFCCVEGCSA-N 1 0 315.369 3.023 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C)(CO)CC2)cc1F ZINC000184074828 656116540 /nfs/dbraw/zinc/11/65/40/656116540.db2.gz WOZNYFIFFMLXRO-UHFFFAOYSA-N 1 0 308.441 3.266 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164196 656124426 /nfs/dbraw/zinc/12/44/26/656124426.db2.gz CYCVSHKKYHNJAN-CABCVRRESA-N 1 0 310.397 3.157 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000185531554 656127115 /nfs/dbraw/zinc/12/71/15/656127115.db2.gz QWBGWQBSOZDKOI-QBIMZIAESA-N 1 0 303.446 3.473 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(OC)ccc1O ZINC000187993117 656142913 /nfs/dbraw/zinc/14/29/13/656142913.db2.gz VUBOXXSUQRKYPN-QGZVFWFLSA-N 1 0 315.413 3.090 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188807580 656149180 /nfs/dbraw/zinc/14/91/80/656149180.db2.gz YNZCGZBFNFYOAI-FZMZJTMJSA-N 1 0 321.314 3.105 20 10 DGCDRO CC[C@]1(C)C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000190328956 656160266 /nfs/dbraw/zinc/16/02/66/656160266.db2.gz WMVJUJOUTKIRLH-GOSISDBHSA-N 1 0 307.434 3.396 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236732391 656305655 /nfs/dbraw/zinc/30/56/55/656305655.db2.gz UVBHPMRVJTXTIG-JKSUJKDBSA-N 1 0 318.461 3.157 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C ZINC000227713280 656845662 /nfs/dbraw/zinc/84/56/62/656845662.db2.gz XOFWIHNKINANSY-OAHLLOKOSA-N 1 0 320.433 3.014 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c(O)c1 ZINC000320153768 656848766 /nfs/dbraw/zinc/84/87/66/656848766.db2.gz JVIAYRHARFFHIF-AWEZNQCLSA-N 1 0 318.461 3.388 20 10 DGCDRO CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001044422693 656920956 /nfs/dbraw/zinc/92/09/56/656920956.db2.gz TUSIWMKSYIDVGH-DOTOQJQBSA-N 1 0 318.461 3.273 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)C)[C@H](C)C2)cc1C ZINC001044472366 656928452 /nfs/dbraw/zinc/92/84/52/656928452.db2.gz URKHBPDQWSAONC-NVXWUHKLSA-N 1 0 318.461 3.129 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)C1(CC)CC ZINC000236880145 656948299 /nfs/dbraw/zinc/94/82/99/656948299.db2.gz XKQAPYKVJUGZID-HZPDHXFCSA-N 1 0 307.434 3.474 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@](C)(CC)CC(=O)OC)cc1 ZINC000236908694 656981243 /nfs/dbraw/zinc/98/12/43/656981243.db2.gz ZDHMOFYTAOBROA-SFHVURJKSA-N 1 0 306.450 3.354 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@]2(N(C)C)CCC[C@H](C)C2)c1O ZINC000236939817 656993382 /nfs/dbraw/zinc/99/33/82/656993382.db2.gz LTAJYMVNPMWJKJ-HNAYVOBHSA-N 1 0 320.477 3.391 20 10 DGCDRO CC(C)N(C)C[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000319650221 657121073 /nfs/dbraw/zinc/12/10/73/657121073.db2.gz LCUOSBJYKRTWMF-KRWDZBQOSA-N 1 0 303.494 3.495 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000319788009 657186140 /nfs/dbraw/zinc/18/61/40/657186140.db2.gz MQYJQLLRGOQPQC-NWDGAFQWSA-N 1 0 311.385 3.282 20 10 DGCDRO COc1cc(C[N@H+](C)C[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000164460706 657339906 /nfs/dbraw/zinc/33/99/06/657339906.db2.gz HFNZUVZDDNPUDK-ZDUSSCGKSA-N 1 0 307.434 3.167 20 10 DGCDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000237179320 657370364 /nfs/dbraw/zinc/37/03/64/657370364.db2.gz IBGIAOMUSGMDFG-SNVBAGLBSA-N 1 0 319.332 3.119 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCCN(C)c2ccccc2)c1 ZINC000237204158 657378525 /nfs/dbraw/zinc/37/85/25/657378525.db2.gz AGRRONNCUXNTKZ-UHFFFAOYSA-N 1 0 300.402 3.017 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cc2ccccc2OC)c1 ZINC000237206107 657379100 /nfs/dbraw/zinc/37/91/00/657379100.db2.gz FLUOABFRTWFFFQ-CYBMUJFWSA-N 1 0 301.386 3.130 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1O ZINC000320188093 657430155 /nfs/dbraw/zinc/43/01/55/657430155.db2.gz OZGKWRAXXFYHRQ-BXUZGUMPSA-N 1 0 311.385 3.364 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCc3ccccc3)CC2)cc1 ZINC000097494624 657642282 /nfs/dbraw/zinc/64/22/82/657642282.db2.gz ZUOCCHSWWNQICP-UHFFFAOYSA-N 1 0 310.441 3.450 20 10 DGCDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000305102988 657680138 /nfs/dbraw/zinc/68/01/38/657680138.db2.gz AMUQJBJBBAJHIR-RDJZCZTQSA-N 1 0 322.518 3.442 20 10 DGCDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000305102985 657681000 /nfs/dbraw/zinc/68/10/00/657681000.db2.gz AMUQJBJBBAJHIR-NVXWUHKLSA-N 1 0 322.518 3.442 20 10 DGCDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000305102989 657681053 /nfs/dbraw/zinc/68/10/53/657681053.db2.gz AMUQJBJBBAJHIR-WBVHZDCISA-N 1 0 322.518 3.442 20 10 DGCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000305789653 657736000 /nfs/dbraw/zinc/73/60/00/657736000.db2.gz SZIKYBFHKSAQKE-QGZVFWFLSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000305755138 658006777 /nfs/dbraw/zinc/00/67/77/658006777.db2.gz AJHDLRMSHYTKFB-PIGZYNQJSA-N 1 0 321.804 3.438 20 10 DGCDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](CC)C1 ZINC001037758907 658341934 /nfs/dbraw/zinc/34/19/34/658341934.db2.gz KZOHLNFUYNBICD-IAGOWNOFSA-N 1 0 318.461 3.130 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1O ZINC000323171339 658646899 /nfs/dbraw/zinc/64/68/99/658646899.db2.gz MRQAMKXVQVBAJB-UHFFFAOYSA-N 1 0 316.357 3.297 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1O ZINC000163895181 658907202 /nfs/dbraw/zinc/90/72/02/658907202.db2.gz FZDSQPJPFSHRLA-GOSISDBHSA-N 1 0 313.397 3.283 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000164210978 658921551 /nfs/dbraw/zinc/92/15/51/658921551.db2.gz LRGBHEDNKIYZJU-SFHVURJKSA-N 1 0 324.424 3.072 20 10 DGCDRO COCCCOC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164403974 658933708 /nfs/dbraw/zinc/93/37/08/658933708.db2.gz IOXIELBUXUJNJA-UHFFFAOYSA-N 1 0 307.434 3.027 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000164469133 658935532 /nfs/dbraw/zinc/93/55/32/658935532.db2.gz FXDWDEGNEHZKLD-GOSISDBHSA-N 1 0 319.445 3.169 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)CCOCc2ccccc2)c1O ZINC000164484017 658936846 /nfs/dbraw/zinc/93/68/46/658936846.db2.gz XUEIPJFDNAEPRR-UHFFFAOYSA-N 1 0 315.413 3.358 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCOC[C@@H]2CCOC2)cc1 ZINC000158128964 659145144 /nfs/dbraw/zinc/14/51/44/659145144.db2.gz DRCSLCSGLHDJCZ-IRXDYDNUSA-N 1 0 320.477 3.237 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](CCN(C)C)CC(C)C)c1O ZINC000229120094 659238926 /nfs/dbraw/zinc/23/89/26/659238926.db2.gz TYTQJIQLJWMJRZ-UHFFFAOYSA-N 1 0 314.857 3.074 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000189999063 659269447 /nfs/dbraw/zinc/26/94/47/659269447.db2.gz SHTGTISOAGFANH-GXTWGEPZSA-N 1 0 308.422 3.346 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCCCCCCO)CC2)cc1 ZINC000173553566 659392271 /nfs/dbraw/zinc/39/22/71/659392271.db2.gz YACWAKZXWGJUJV-UHFFFAOYSA-N 1 0 320.477 3.150 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1O ZINC000246120488 659884808 /nfs/dbraw/zinc/88/48/08/659884808.db2.gz KHKWTVBPNFIPAH-UWVGGRQHSA-N 1 0 314.223 3.394 20 10 DGCDRO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1Cc1ccccc1O ZINC000179578933 659933710 /nfs/dbraw/zinc/93/37/10/659933710.db2.gz JLEZCIKBEFEHNU-KRWDZBQOSA-N 1 0 310.441 3.489 20 10 DGCDRO C[C@H]1CSCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000179661040 659937675 /nfs/dbraw/zinc/93/76/75/659937675.db2.gz OIPAQGVVWAGXHY-VIFPVBQESA-N 1 0 302.237 3.092 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC(C)(C)O1 ZINC000068462368 659953419 /nfs/dbraw/zinc/95/34/19/659953419.db2.gz FUHUSZVGFRPAFR-GFCCVEGCSA-N 1 0 307.434 3.395 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000181063635 659978115 /nfs/dbraw/zinc/97/81/15/659978115.db2.gz TWKLSUQHWPOYKN-SKDZVZGDSA-N 1 0 306.425 3.380 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(CC)CC ZINC000076074119 660086583 /nfs/dbraw/zinc/08/65/83/660086583.db2.gz CVJDXSTVTCSARS-CQSZACIVSA-N 1 0 306.450 3.298 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccccc1O ZINC000183396459 660109506 /nfs/dbraw/zinc/10/95/06/660109506.db2.gz RPNHUDORTLBRQN-OAHLLOKOSA-N 1 0 307.397 3.488 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccccc1O ZINC000183671796 660129678 /nfs/dbraw/zinc/12/96/78/660129678.db2.gz VNJJPCCTWGPJGR-DIODGJHASA-N 1 0 305.418 3.365 20 10 DGCDRO CCCCC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183703117 660131594 /nfs/dbraw/zinc/13/15/94/660131594.db2.gz TVIABJPXOBBKLK-UHFFFAOYSA-N 1 0 322.449 3.025 20 10 DGCDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000184566779 660173410 /nfs/dbraw/zinc/17/34/10/660173410.db2.gz YYQCHAUAVVSFFD-AWEZNQCLSA-N 1 0 306.425 3.331 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2cnn(CCF)c2)C2CC2)cc1 ZINC000929294407 661294845 /nfs/dbraw/zinc/29/48/45/661294845.db2.gz CUPGRXZVLRFTLW-UHFFFAOYSA-N 1 0 316.424 3.083 20 10 DGCDRO Cc1nnc(CC[N@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000929635989 661322913 /nfs/dbraw/zinc/32/29/13/661322913.db2.gz PHBSDTQYZXWJHG-UHFFFAOYSA-N 1 0 301.390 3.071 20 10 DGCDRO Cc1cc(C[NH+]2CCC(O)(C3CCC3)CC2)ccc1N(C)C ZINC000932814267 661598646 /nfs/dbraw/zinc/59/86/46/661598646.db2.gz DFPFBYSGANRCIJ-UHFFFAOYSA-N 1 0 302.462 3.188 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1O ZINC000934690978 661726003 /nfs/dbraw/zinc/72/60/03/661726003.db2.gz DZSMBQTUYZIIRK-QGZVFWFLSA-N 1 0 314.360 3.370 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccncc2)C2CC2)c1O ZINC000934690975 661726010 /nfs/dbraw/zinc/72/60/10/661726010.db2.gz DZSMBQTUYZIIRK-KRWDZBQOSA-N 1 0 314.360 3.370 20 10 DGCDRO CC[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000155576716 661849544 /nfs/dbraw/zinc/84/95/44/661849544.db2.gz JZOWFOSOSFQUED-AWEZNQCLSA-N 1 0 308.422 3.300 20 10 DGCDRO Oc1ccc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000157901526 661869382 /nfs/dbraw/zinc/86/93/82/661869382.db2.gz UQBPOXJJGIXUKQ-UHFFFAOYSA-N 1 0 318.804 3.073 20 10 DGCDRO CN(Cc1nccn1C(F)F)Cc1cc2c(cc1O)CCCC2 ZINC000159722758 661894386 /nfs/dbraw/zinc/89/43/86/661894386.db2.gz IUAHCJNZOXWTED-UHFFFAOYSA-N 1 0 321.371 3.495 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c1 ZINC000188040400 661912211 /nfs/dbraw/zinc/91/22/11/661912211.db2.gz LJPINGGOLMPEKP-GOSISDBHSA-N 1 0 307.434 3.164 20 10 DGCDRO CCOC[C@H]([NH2+]Cc1cc(Br)ccc1O)C(C)C ZINC000188864067 661949561 /nfs/dbraw/zinc/94/95/61/661949561.db2.gz ARZDEYPXFCCRDA-ZDUSSCGKSA-N 1 0 316.239 3.305 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000192910985 662115717 /nfs/dbraw/zinc/11/57/17/662115717.db2.gz IRQYZXVYAGLTFZ-LBPRGKRZSA-N 1 0 315.369 3.023 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000083475266 662195281 /nfs/dbraw/zinc/19/52/81/662195281.db2.gz XKABENFVDFHSGF-UHFFFAOYSA-N 1 0 308.422 3.094 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000245726362 662239040 /nfs/dbraw/zinc/23/90/40/662239040.db2.gz SCOHCOOEKUDALI-ZDUSSCGKSA-N 1 0 316.367 3.077 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000090221161 662257565 /nfs/dbraw/zinc/25/75/65/662257565.db2.gz GWJRRLXDDPKBFR-JLCFBVMHSA-N 1 0 316.470 3.341 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000246463125 662260327 /nfs/dbraw/zinc/26/03/27/662260327.db2.gz PZMFVWRQQKRFOC-FTRWYGJKSA-N 1 0 312.457 3.395 20 10 DGCDRO C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1O ZINC000091974710 662325583 /nfs/dbraw/zinc/32/55/83/662325583.db2.gz PMAOJHXXQUSZFA-UHFFFAOYSA-N 1 0 311.360 3.349 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cc1 ZINC000092660670 662333595 /nfs/dbraw/zinc/33/35/95/662333595.db2.gz RERXDPLOZYSJAS-INIZCTEOSA-N 1 0 317.477 3.010 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC000093360165 662353430 /nfs/dbraw/zinc/35/34/30/662353430.db2.gz POOBFNDAAOURME-AWEZNQCLSA-N 1 0 322.449 3.354 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000093387375 662354520 /nfs/dbraw/zinc/35/45/20/662354520.db2.gz HEQVVBZVNIEUPX-HXUWFJFHSA-N 1 0 310.441 3.234 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@H](C[N@H+](C)CC)C2)cc1F ZINC000093770230 662359921 /nfs/dbraw/zinc/35/99/21/662359921.db2.gz QRJBIIWFDQHJRT-QGZVFWFLSA-N 1 0 321.484 3.446 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](N(C)C)C3)c2c1 ZINC000152323274 685094987 /nfs/dbraw/zinc/09/49/87/685094987.db2.gz BBMDHZDXAQSQLR-OAHLLOKOSA-N 1 0 314.429 3.080 20 10 DGCDRO CC(C)OCCC[N@H+](C)Cc1cc(Br)ccc1O ZINC000382788992 685164344 /nfs/dbraw/zinc/16/43/44/685164344.db2.gz GPTKTXWOCCNWNL-UHFFFAOYSA-N 1 0 316.239 3.402 20 10 DGCDRO CC(C)(O)C(C)(C)C[NH2+]Cc1cc(Br)ccc1O ZINC000393671253 685219204 /nfs/dbraw/zinc/21/92/04/685219204.db2.gz JTGKPPPAVLCXOZ-UHFFFAOYSA-N 1 0 316.239 3.041 20 10 DGCDRO C[C@H]1CC2(C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-])CC[NH2+]CC2 ZINC001576636663 1191857023 /nfs/dbraw/zinc/85/70/23/1191857023.db2.gz FSIDUXUXFVQVGT-NSHDSACASA-N 1 0 312.816 3.149 20 10 DGCDRO Cc1cccc(CC2(O)CC[NH+](Cc3ccc(N)cc3)CC2)c1 ZINC001579759423 1191991369 /nfs/dbraw/zinc/99/13/69/1191991369.db2.gz HPEUBTPOTFDKMU-UHFFFAOYSA-N 1 0 310.441 3.147 20 10 DGCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCCSc3ccc(Cl)cc32)C1 ZINC001580171862 1192011858 /nfs/dbraw/zinc/01/18/58/1192011858.db2.gz ZRLXTNUMYMRMRW-GFCCVEGCSA-N 1 0 308.834 3.216 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2C)cc1Cn1cccn1 ZINC001620912740 1192592105 /nfs/dbraw/zinc/59/21/05/1192592105.db2.gz FGYPYVTVPREAKP-WBVHZDCISA-N 1 0 313.445 3.466 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]C(C)(C)C3CCC3)cc2F)CC1 ZINC001620943362 1192638925 /nfs/dbraw/zinc/63/89/25/1192638925.db2.gz UFIPQTOBGVCPKD-UHFFFAOYSA-N 1 0 319.468 3.246 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CC(N)=O)c1ccccc1 ZINC001620950495 1192644827 /nfs/dbraw/zinc/64/48/27/1192644827.db2.gz CTUWIDWZLILWRP-QGZVFWFLSA-N 1 0 321.424 3.193 20 10 DGCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000129687149 1176465688 /nfs/dbraw/zinc/46/56/88/1176465688.db2.gz OQBIOAYHXPNTBK-OAHLLOKOSA-N 1 0 312.413 3.036 20 10 DGCDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001621003377 1192779444 /nfs/dbraw/zinc/77/94/44/1192779444.db2.gz GUUGAMIHRNMAMQ-HNNXBMFYSA-N 1 0 321.484 3.492 20 10 DGCDRO CCCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001126578660 1177104621 /nfs/dbraw/zinc/10/46/21/1177104621.db2.gz FEFRXAYQURVDDP-CQSZACIVSA-N 1 0 306.450 3.036 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC001331538412 1178238989 /nfs/dbraw/zinc/23/89/89/1178238989.db2.gz YTXGUHVDZYWGLM-GOSISDBHSA-N 1 0 300.446 3.336 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)cc1Cn1cccn1 ZINC001332314616 1178416913 /nfs/dbraw/zinc/41/69/13/1178416913.db2.gz ZULPUVHKGGAPSY-IAGOWNOFSA-N 1 0 317.408 3.310 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCCOCc2ccccc2)c1O ZINC001333706293 1178656639 /nfs/dbraw/zinc/65/66/39/1178656639.db2.gz YGHYFONHNDQOIT-UHFFFAOYSA-N 1 0 315.413 3.406 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@]23CCOC3)c(O)c(C(C)(C)C)c1 ZINC001333909351 1178693515 /nfs/dbraw/zinc/69/35/15/1178693515.db2.gz YUYAWZBGBNLKQB-GOSISDBHSA-N 1 0 305.418 3.063 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCOC23CCCC3)cc1 ZINC001335134504 1178859357 /nfs/dbraw/zinc/85/93/57/1178859357.db2.gz SOPNMWWPNADNIU-DUMMIQTOSA-N 1 0 300.446 3.457 20 10 DGCDRO COc1ccc(N2CC[NH+](CCCC(F)(F)F)CC2)cc1F ZINC001335393418 1178904422 /nfs/dbraw/zinc/90/44/22/1178904422.db2.gz KOWWNEDNZHXTFI-UHFFFAOYSA-N 1 0 320.330 3.299 20 10 DGCDRO Nc1ccc(CN2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC001336116937 1178995600 /nfs/dbraw/zinc/99/56/00/1178995600.db2.gz IIUNTKFKWCMTDL-QGZVFWFLSA-N 1 0 304.340 3.121 20 10 DGCDRO Nc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC001336118828 1178995641 /nfs/dbraw/zinc/99/56/41/1178995641.db2.gz KYKLJAHHVCLTCN-MRXNPFEDSA-N 1 0 308.784 3.275 20 10 DGCDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001341568299 1179030001 /nfs/dbraw/zinc/03/00/01/1179030001.db2.gz UVMKSNCKOBCMMX-UHFFFAOYSA-N 1 0 318.461 3.450 20 10 DGCDRO COC(=O)[C@H](C)C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001342502429 1179147188 /nfs/dbraw/zinc/14/71/88/1179147188.db2.gz GJWLNDXBMNXFHI-OAHLLOKOSA-N 1 0 316.445 3.060 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)Cc2cccs2)c(O)c1OC ZINC001342960756 1179217278 /nfs/dbraw/zinc/21/72/78/1179217278.db2.gz NGPDYKPZTZWZSI-GFCCVEGCSA-N 1 0 321.442 3.439 20 10 DGCDRO C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC001343335259 1179257676 /nfs/dbraw/zinc/25/76/76/1179257676.db2.gz WLRVMTGTVHTLJN-MGPQQGTHSA-N 1 0 308.853 3.208 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccoc2)cc1C ZINC001621047778 1192959957 /nfs/dbraw/zinc/95/99/57/1192959957.db2.gz DQJVJMNJGJRUHX-GOSISDBHSA-N 1 0 317.429 3.318 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)c(OC)c2)c1 ZINC001346197770 1179668978 /nfs/dbraw/zinc/66/89/78/1179668978.db2.gz XWKPQARKKRNTHC-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCC(=O)N2CCC[C@H](C)C2)cc1Cl ZINC001347390929 1179802176 /nfs/dbraw/zinc/80/21/76/1179802176.db2.gz HQDGHETXAXKAQZ-LBPRGKRZSA-N 1 0 324.852 3.092 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001349625448 1179924037 /nfs/dbraw/zinc/92/40/37/1179924037.db2.gz NPWWMYZJIHOVSU-NEWSRXKRSA-N 1 0 300.446 3.334 20 10 DGCDRO CO[C@]1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CCSC1 ZINC001350636500 1180098813 /nfs/dbraw/zinc/09/88/13/1180098813.db2.gz PPBBRLGHFGBJLF-IGCXYCKISA-N 1 0 307.459 3.361 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c1OC ZINC001351948525 1180266716 /nfs/dbraw/zinc/26/67/16/1180266716.db2.gz MWYCGVVEMFCRQO-KGLIPLIRSA-N 1 0 305.418 3.422 20 10 DGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc(OCC2CC2)n1 ZINC001200105699 1180381901 /nfs/dbraw/zinc/38/19/01/1180381901.db2.gz MUNNXWIBBSFRGH-UHFFFAOYSA-N 1 0 324.424 3.485 20 10 DGCDRO CC(C)N(Cc1ccc(N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001352788519 1180399348 /nfs/dbraw/zinc/39/93/48/1180399348.db2.gz PKQJEQYQLDPMBN-UHFFFAOYSA-N 1 0 322.412 3.328 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC(C)=C(C)C)cc1C ZINC001480520194 1180591031 /nfs/dbraw/zinc/59/10/31/1180591031.db2.gz LJRPQRPQAIVOSX-MRXNPFEDSA-N 1 0 318.461 3.344 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001354540338 1180832093 /nfs/dbraw/zinc/83/20/93/1180832093.db2.gz CERRPDZUFKLFTR-SFHVURJKSA-N 1 0 317.477 3.022 20 10 DGCDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(C(C)C)ccc2O)C1 ZINC001474625725 1181595277 /nfs/dbraw/zinc/59/52/77/1181595277.db2.gz SAZROIVWYSEPMA-NXHRZFHOSA-N 1 0 321.461 3.171 20 10 DGCDRO CC[C@H]1C[C@@H](C[NH2+]CCCSc2nccs2)CCO1 ZINC001560348135 1181605732 /nfs/dbraw/zinc/60/57/32/1181605732.db2.gz MRVXYWZJCCXJGE-STQMWFEESA-N 1 0 300.493 3.420 20 10 DGCDRO CC(C)C[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001439960257 1182023028 /nfs/dbraw/zinc/02/30/28/1182023028.db2.gz LFTAGNYPXGXCMA-QAPCUYQASA-N 1 0 319.493 3.154 20 10 DGCDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC001460080761 1182648472 /nfs/dbraw/zinc/64/84/72/1182648472.db2.gz FZNUMBXOAQJKHJ-HUUCEWRRSA-N 1 0 311.422 3.498 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccnc(Br)c1)c1ccccc1O ZINC001460638947 1182701843 /nfs/dbraw/zinc/70/18/43/1182701843.db2.gz QHJKFSWOQAGQRA-SNVBAGLBSA-N 1 0 307.191 3.401 20 10 DGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C[NH+]1CCCCC1 ZINC001461084060 1182765500 /nfs/dbraw/zinc/76/55/00/1182765500.db2.gz FGGRNXLIILPIKC-LBPRGKRZSA-N 1 0 314.832 3.396 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1F ZINC001461233031 1182783554 /nfs/dbraw/zinc/78/35/54/1182783554.db2.gz SYEVTDHLHYONDL-ZBFHGGJFSA-N 1 0 308.441 3.313 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@H]1COC3(CCCCC3)O1)CCCO2 ZINC001461376575 1182802845 /nfs/dbraw/zinc/80/28/45/1182802845.db2.gz IZWZPYZWEQJBGL-KRWDZBQOSA-N 1 0 317.429 3.177 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H]2C(C)C)c2cc(F)ccc2n1C ZINC001461998562 1182893237 /nfs/dbraw/zinc/89/32/37/1182893237.db2.gz PLRGWMWDTKICKR-OAHLLOKOSA-N 1 0 318.392 3.334 20 10 DGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001462241440 1182928038 /nfs/dbraw/zinc/92/80/38/1182928038.db2.gz XJXYKALEHDHITR-UHFFFAOYSA-N 1 0 305.809 3.457 20 10 DGCDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(Cl)cc1O)C2 ZINC001462306015 1182936075 /nfs/dbraw/zinc/93/60/75/1182936075.db2.gz IUAOIHBECSKPPB-HNNXBMFYSA-N 1 0 303.789 3.447 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2COc3cccc(C)c3C2)c1O ZINC001462458791 1182955141 /nfs/dbraw/zinc/95/51/41/1182955141.db2.gz VJHXCJKMESAZQV-OAHLLOKOSA-N 1 0 313.397 3.111 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC001462454490 1182955309 /nfs/dbraw/zinc/95/53/09/1182955309.db2.gz GHLWBBCTWHKECK-KRWDZBQOSA-N 1 0 316.832 3.410 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001462457799 1182955405 /nfs/dbraw/zinc/95/54/05/1182955405.db2.gz ANQIBEGOQSTSRJ-IEBWSBKVSA-N 1 0 317.429 3.223 20 10 DGCDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001462542846 1182965783 /nfs/dbraw/zinc/96/57/83/1182965783.db2.gz PSPVIZMIXGFDEW-KRWDZBQOSA-N 1 0 303.494 3.210 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC001473130401 1183719880 /nfs/dbraw/zinc/71/98/80/1183719880.db2.gz YOFUFZACCASFFI-UHFFFAOYSA-N 1 0 315.505 3.451 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCC2 ZINC001474011311 1183849743 /nfs/dbraw/zinc/84/97/43/1183849743.db2.gz QUOQNFNJNQDKFH-ROUUACIJSA-N 1 0 301.430 3.449 20 10 DGCDRO CC[NH+]1CCC(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001474023407 1183852691 /nfs/dbraw/zinc/85/26/91/1183852691.db2.gz ACMWGZKWATUIOB-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(N(C)C)cc1 ZINC001474116799 1183870227 /nfs/dbraw/zinc/87/02/27/1183870227.db2.gz HAYJVTHDECRTLR-XKQJLSEDSA-N 1 0 322.424 3.037 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cnn3ccccc23)c(Cl)c1 ZINC001474142904 1183873227 /nfs/dbraw/zinc/87/32/27/1183873227.db2.gz IOVSGVDPWFTPPZ-UHFFFAOYSA-N 1 0 301.777 3.292 20 10 DGCDRO COC(=O)c1c(C[NH+]2CCCCC2)c2cc(F)ccc2n1C ZINC001474362688 1183910635 /nfs/dbraw/zinc/91/06/35/1183910635.db2.gz VMALDDUKBPDCLQ-UHFFFAOYSA-N 1 0 304.365 3.090 20 10 DGCDRO C[N@H+](Cc1ccc(Br)nc1)Cc1ccccc1O ZINC001474377011 1183911615 /nfs/dbraw/zinc/91/16/15/1183911615.db2.gz YOCBKUVGNMMAHV-UHFFFAOYSA-N 1 0 307.191 3.182 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001474438541 1183921695 /nfs/dbraw/zinc/92/16/95/1183921695.db2.gz INFYAHJIFOZTFE-INIZCTEOSA-N 1 0 305.805 3.129 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(C(C)C)ccc1O ZINC001474538822 1183936910 /nfs/dbraw/zinc/93/69/10/1183936910.db2.gz WLPHMWBLGAQOED-CQSZACIVSA-N 1 0 306.450 3.158 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](CC(C)C)CN2CCCC2)c1O ZINC001474538513 1183937383 /nfs/dbraw/zinc/93/73/83/1183937383.db2.gz USZGXBJTRFCUIG-KRWDZBQOSA-N 1 0 320.477 3.309 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC001474683690 1183961784 /nfs/dbraw/zinc/96/17/84/1183961784.db2.gz PWEWSPAMYWYJGR-HNNXBMFYSA-N 1 0 316.367 3.214 20 10 DGCDRO Cc1nc([C@H]2CC[N@@H+](Cc3cc(C(C)C)ccc3O)C2)no1 ZINC001474706897 1183965623 /nfs/dbraw/zinc/96/56/23/1183965623.db2.gz MIJVIRNKPVFWSW-AWEZNQCLSA-N 1 0 301.390 3.197 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)CC(C)C)C2CC2)cc1C ZINC001480001037 1184408400 /nfs/dbraw/zinc/40/84/00/1184408400.db2.gz ZCIUXSXMTQFQJS-KRWDZBQOSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@@H](CNC(=O)[C@@H](C)C1CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494960242 1184970160 /nfs/dbraw/zinc/97/01/60/1184970160.db2.gz IGYJCGCOTHZJEC-YOEHRIQHSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2CCC2)cc1C ZINC001506909802 1186310897 /nfs/dbraw/zinc/31/08/97/1186310897.db2.gz WOYUDERRKJVYND-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCCCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001537477920 1188077126 /nfs/dbraw/zinc/07/71/26/1188077126.db2.gz OLNNVMBIMACELQ-GOSISDBHSA-N 1 0 319.493 3.442 20 10 DGCDRO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)C ZINC001537484510 1188078154 /nfs/dbraw/zinc/07/81/54/1188078154.db2.gz WXPKUGSCNQOJDN-WMLDXEAASA-N 1 0 319.493 3.154 20 10 DGCDRO CCC[C@@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001539707381 1188200054 /nfs/dbraw/zinc/20/00/54/1188200054.db2.gz RCXHWQOUAIWBBG-QAPCUYQASA-N 1 0 319.493 3.298 20 10 DGCDRO CCC(=CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)CC ZINC001616858234 1193549543 /nfs/dbraw/zinc/54/95/43/1193549543.db2.gz JJSINMZCQAMYIG-GOSISDBHSA-N 1 0 317.477 3.218 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)cc1 ZINC001559666920 1189227926 /nfs/dbraw/zinc/22/79/26/1189227926.db2.gz DRQUYMKIKSBAMY-GOSISDBHSA-N 1 0 318.461 3.022 20 10 DGCDRO CCCCOCCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560248218 1189298989 /nfs/dbraw/zinc/29/89/89/1189298989.db2.gz GJVYKNINIYBKSN-UHFFFAOYSA-N 1 0 300.393 3.327 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC001560259015 1189301619 /nfs/dbraw/zinc/30/16/19/1189301619.db2.gz UHCFEVPCEKMGAC-UHFFFAOYSA-N 1 0 322.412 3.267 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCC[C@@H](C)C1 ZINC001560265710 1189302866 /nfs/dbraw/zinc/30/28/66/1189302866.db2.gz BDNWLVFDYKMIML-HUUCEWRRSA-N 1 0 307.457 3.102 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCC(=O)N[C@@H](C)CC)cc1C ZINC001560300547 1189308541 /nfs/dbraw/zinc/30/85/41/1189308541.db2.gz HIDUPJKARUDDBS-HNNXBMFYSA-N 1 0 306.450 3.178 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](O)C2CCCCC2)cc1F ZINC001560307859 1189308877 /nfs/dbraw/zinc/30/88/77/1189308877.db2.gz OKKYMFVYXZEERN-KRWDZBQOSA-N 1 0 312.404 3.062 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)Cc1ccccc1 ZINC001560479111 1189332383 /nfs/dbraw/zinc/33/23/83/1189332383.db2.gz XAINVKJCPWREPW-LJQANCHMSA-N 1 0 311.425 3.359 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC001560604539 1189347031 /nfs/dbraw/zinc/34/70/31/1189347031.db2.gz BRVPAILNZJWQMC-WVJCCSTMSA-N 1 0 314.429 3.259 20 10 DGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001560630103 1189353011 /nfs/dbraw/zinc/35/30/11/1189353011.db2.gz MWPPUHFPMONPPV-LBPRGKRZSA-N 1 0 300.418 3.358 20 10 DGCDRO CN(C)c1cc(F)c(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1F ZINC001560655780 1189355262 /nfs/dbraw/zinc/35/52/62/1189355262.db2.gz JZLHNLYMQXAKFO-OAHLLOKOSA-N 1 0 323.431 3.091 20 10 DGCDRO COC(=O)c1c(C[NH+]2C[C@@H](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC001560687727 1189360471 /nfs/dbraw/zinc/36/04/71/1189360471.db2.gz OGMAXGMZJLPJSG-VXGBXAGGSA-N 1 0 318.392 3.192 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC001560857896 1189395032 /nfs/dbraw/zinc/39/50/32/1189395032.db2.gz HIYYVNHANCJPBM-SFHVURJKSA-N 1 0 304.478 3.339 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)cc1 ZINC001560883116 1189399699 /nfs/dbraw/zinc/39/96/99/1189399699.db2.gz KCNXQAMVDBVMRD-FDICQLOXSA-N 1 0 300.446 3.123 20 10 DGCDRO COC(=O)[C@]1(C)CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001560891525 1189400771 /nfs/dbraw/zinc/40/07/71/1189400771.db2.gz MZKQHGRROMSLRT-WSSFADSRSA-N 1 0 316.445 3.041 20 10 DGCDRO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC001560890701 1189401094 /nfs/dbraw/zinc/40/10/94/1189401094.db2.gz ONENTSLGQRSSKN-JSGCOSHPSA-N 1 0 323.408 3.331 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@]3(C)CCCCO3)C2)cc1 ZINC001560899031 1189402519 /nfs/dbraw/zinc/40/25/19/1189402519.db2.gz WMVJZLFBQZSXLX-VQIMIIECSA-N 1 0 318.461 3.070 20 10 DGCDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(Cl)cc1O ZINC001561001760 1189418478 /nfs/dbraw/zinc/41/84/78/1189418478.db2.gz DYKUMTIGCDLGLC-UHFFFAOYSA-N 1 0 319.714 3.088 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(Br)CC2)c(Cl)c1 ZINC001561032640 1189423090 /nfs/dbraw/zinc/42/30/90/1189423090.db2.gz LKOWONZWLHOUCE-UHFFFAOYSA-N 1 0 304.615 3.371 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@]2(C)CCCS2)N(C)C)cc1 ZINC001561040007 1189424336 /nfs/dbraw/zinc/42/43/36/1189424336.db2.gz IKHGTYRLHFZVNE-ROUUACIJSA-N 1 0 321.534 3.231 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1O ZINC001657677144 1196168337 /nfs/dbraw/zinc/16/83/37/1196168337.db2.gz BLCFHBKWYCPZHB-CVEARBPZSA-N 1 0 307.434 3.391 20 10 DGCDRO O=C(Nc1ccccc1Nc1cc[nH+]cc1)C1=CC(=O)CS1 ZINC001568443182 1190523386 /nfs/dbraw/zinc/52/33/86/1190523386.db2.gz VNYIMFDXFZXPMR-UHFFFAOYSA-N 1 0 311.366 3.267 20 10 DGCDRO CCC1(C(=O)N(C)CCC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001569237986 1190656101 /nfs/dbraw/zinc/65/61/01/1190656101.db2.gz ZJDHEIBQFOXNCY-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c(O)c1 ZINC001621184151 1193813254 /nfs/dbraw/zinc/81/32/54/1193813254.db2.gz IAWCXVHOHOOUQP-OAHLLOKOSA-N 1 0 302.374 3.343 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(Cl)cc2O)ccc1O ZINC001621222327 1193818670 /nfs/dbraw/zinc/81/86/70/1193818670.db2.gz LZNBVNRVVNYMSJ-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO Cc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(O)c1 ZINC001621279546 1193826350 /nfs/dbraw/zinc/82/63/50/1193826350.db2.gz ZMLZSIXKEARLCT-UHFFFAOYSA-N 1 0 300.358 3.283 20 10 DGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001621382046 1193835621 /nfs/dbraw/zinc/83/56/21/1193835621.db2.gz BFFWLRDFPBFEMS-MNOVXSKESA-N 1 0 318.161 3.242 20 10 DGCDRO CCN1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001621396666 1193837512 /nfs/dbraw/zinc/83/75/12/1193837512.db2.gz PNAVXYNQUDEUSE-FUHWJXTLSA-N 1 0 303.494 3.066 20 10 DGCDRO CC(=O)OC[C@@H](C)[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC001621475569 1193846787 /nfs/dbraw/zinc/84/67/87/1193846787.db2.gz JRSRGHWAYIPJNV-CYBMUJFWSA-N 1 0 300.402 3.135 20 10 DGCDRO CCC(C)(CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001627463758 1194130407 /nfs/dbraw/zinc/13/04/07/1194130407.db2.gz FGFFZEPWTQRXNV-KRWDZBQOSA-N 1 0 319.493 3.298 20 10 DGCDRO O=C(NCc1c(O)ccc2ccccc21)C12CCC[NH+](CCC1)C2 ZINC001635969470 1194583077 /nfs/dbraw/zinc/58/30/77/1194583077.db2.gz QXEABXUJQISWQQ-UHFFFAOYSA-N 1 0 324.424 3.038 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001641902229 1194878347 /nfs/dbraw/zinc/87/83/47/1194878347.db2.gz KJIDDQHRPPSZIJ-PKOBYXMFSA-N 1 0 319.445 3.332 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCC3(C2)OCCO3)cc1C ZINC001650864528 1195390459 /nfs/dbraw/zinc/39/04/59/1195390459.db2.gz RUJWFJZGRZQRCI-INIZCTEOSA-N 1 0 305.418 3.169 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]CC2OCCCO2)cc1 ZINC001651365937 1195450289 /nfs/dbraw/zinc/45/02/89/1195450289.db2.gz ISNMQGZIURFPTJ-UHFFFAOYSA-N 1 0 306.450 3.166 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)c(Cl)c1 ZINC001651542499 1195477916 /nfs/dbraw/zinc/47/79/16/1195477916.db2.gz YLHKRKZTCGRQPA-ZDUSSCGKSA-N 1 0 324.774 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)CCc2ccccc2)cc1 ZINC001651582894 1195481928 /nfs/dbraw/zinc/48/19/28/1195481928.db2.gz YXBJWGNASCPQGV-ZGBFETHSSA-N 1 0 324.468 3.349 20 10 DGCDRO COc1ccc(C[NH2+]CC2(C)CCC3(CC2)OCCO3)cc1C ZINC001651639982 1195489460 /nfs/dbraw/zinc/48/94/60/1195489460.db2.gz ZHPYSMWZBNHDGT-UHFFFAOYSA-N 1 0 319.445 3.417 20 10 DGCDRO COC(=O)c1c(C[N@H+](C)CC(C)C)c2cc(F)ccc2n1C ZINC001651916768 1195523333 /nfs/dbraw/zinc/52/33/33/1195523333.db2.gz PCVHQZAGQIAAKC-UHFFFAOYSA-N 1 0 306.381 3.192 20 10 DGCDRO CC(C)C(=O)NC1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001651962284 1195529511 /nfs/dbraw/zinc/52/95/11/1195529511.db2.gz LOFASDFTGYGUAS-UHFFFAOYSA-N 1 0 318.461 3.252 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)CCOc2ccc(F)cc2)c(O)c1 ZINC001652066682 1195543360 /nfs/dbraw/zinc/54/33/60/1195543360.db2.gz CQDRWJCISISMGB-UHFFFAOYSA-N 1 0 319.376 3.359 20 10 DGCDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001652177063 1195557713 /nfs/dbraw/zinc/55/77/13/1195557713.db2.gz OISZTHIDOBRXBG-ZDUSSCGKSA-N 1 0 319.836 3.234 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3ccccc3n2)c1 ZINC001652404445 1195593676 /nfs/dbraw/zinc/59/36/76/1195593676.db2.gz PKOUZGBGNGUJQF-GFCCVEGCSA-N 1 0 309.369 3.195 20 10 DGCDRO COC(=O)c1c(C[NH2+]CC2CC=CC2)c2cc(F)ccc2n1C ZINC001652836699 1195659166 /nfs/dbraw/zinc/65/91/66/1195659166.db2.gz KPTFGSIAJKDLMF-UHFFFAOYSA-N 1 0 316.376 3.160 20 10 DGCDRO COC(=O)c1oc(C[NH2+]Cc2cc(C(C)C)ccc2O)cc1C ZINC001652934547 1195672324 /nfs/dbraw/zinc/67/23/24/1195672324.db2.gz RFFMTXXVFFZCJE-UHFFFAOYSA-N 1 0 317.385 3.493 20 10 DGCDRO Cc1nc(CC2CC[NH+](Cc3ccc(Cl)cc3O)CC2)no1 ZINC001653135313 1195691276 /nfs/dbraw/zinc/69/12/76/1195691276.db2.gz DPDJUOMIHSNZIS-UHFFFAOYSA-N 1 0 321.808 3.192 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)C2=CCOCC2)c1O ZINC001653256867 1195704299 /nfs/dbraw/zinc/70/42/99/1195704299.db2.gz PWURHRSCWAUCOM-UHFFFAOYSA-N 1 0 305.418 3.172 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@]23CCCOC3)c1O ZINC001655142316 1195882818 /nfs/dbraw/zinc/88/28/18/1195882818.db2.gz WEMSTGVSWCKUQA-SFHVURJKSA-N 1 0 321.392 3.269 20 10 DGCDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)c(F)c1 ZINC001655349470 1195907004 /nfs/dbraw/zinc/90/70/04/1195907004.db2.gz JKRSXYZGTYPMFZ-LLVKDONJSA-N 1 0 303.333 3.169 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2COc3ccccc3O2)c(Cl)c1 ZINC001655999019 1195986525 /nfs/dbraw/zinc/98/65/25/1195986525.db2.gz UHFCJQLRUCWTSO-LBPRGKRZSA-N 1 0 319.788 3.284 20 10 DGCDRO c1nc2ccccc2n1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001656217234 1196019180 /nfs/dbraw/zinc/01/91/80/1196019180.db2.gz DWCMAMSFNRADIO-UHFFFAOYSA-N 1 0 320.440 3.426 20 10 DGCDRO CCC[N@H+](CC)C[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC001656340748 1196031158 /nfs/dbraw/zinc/03/11/58/1196031158.db2.gz DXYCZOYXCBCSEH-XZVRFQMRSA-N 1 0 303.494 3.476 20 10 DGCDRO CO[C@H](Cc1ccccc1)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001657168875 1196113760 /nfs/dbraw/zinc/11/37/60/1196113760.db2.gz FPVKLDPNOAYVFD-HXUWFJFHSA-N 1 0 312.457 3.442 20 10 DGCDRO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001657196477 1196117518 /nfs/dbraw/zinc/11/75/18/1196117518.db2.gz BLEANDYFHRYNOM-LJQANCHMSA-N 1 0 301.478 3.251 20 10 DGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)CCO1 ZINC001657271973 1196125530 /nfs/dbraw/zinc/12/55/30/1196125530.db2.gz XDFLXFFDTTXDTJ-STQMWFEESA-N 1 0 300.493 3.419 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCCC1 ZINC001657363401 1196133598 /nfs/dbraw/zinc/13/35/98/1196133598.db2.gz IMUOLQKMAMOOMJ-OAHLLOKOSA-N 1 0 319.468 3.246 20 10 DGCDRO C[C@@H](CN1CCC(C)CC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001657669156 1196167676 /nfs/dbraw/zinc/16/76/76/1196167676.db2.gz MYNPXVXAWMNVJR-XFHJGTJQSA-N 1 0 315.505 3.476 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@H]1CCN1C1CCCC1)CCCO2 ZINC001657784748 1196177738 /nfs/dbraw/zinc/17/77/38/1196177738.db2.gz HYAXQCAHMJZJIN-GOSISDBHSA-N 1 0 300.446 3.118 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)cc1F ZINC001658000019 1196200496 /nfs/dbraw/zinc/20/04/96/1196200496.db2.gz SVQDGSCLNKDNDP-HNNXBMFYSA-N 1 0 306.425 3.331 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCCC3(CC3)C2)ccc1N1CCOCC1 ZINC001658063328 1196208687 /nfs/dbraw/zinc/20/86/87/1196208687.db2.gz YJMRHMUCCWTZQQ-MRXNPFEDSA-N 1 0 318.436 3.475 20 10 DGCDRO CC[C@@H](C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001658248332 1196231082 /nfs/dbraw/zinc/23/10/82/1196231082.db2.gz OOUPQGBYTLJPPN-OAHLLOKOSA-N 1 0 307.457 3.103 20 10 DGCDRO COc1ccccc1-n1nccc1C[NH2+][C@@H](C)c1ccccc1O ZINC001658523797 1196269754 /nfs/dbraw/zinc/26/97/54/1196269754.db2.gz KHKBARXDALDDIS-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1 ZINC001658876085 1196313168 /nfs/dbraw/zinc/31/31/68/1196313168.db2.gz WRKCWLBDJUXDSC-OAHLLOKOSA-N 1 0 318.383 3.488 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC001659476446 1196386795 /nfs/dbraw/zinc/38/67/95/1196386795.db2.gz ZJZSXVDXRDHLFF-CQSZACIVSA-N 1 0 319.788 3.365 20 10 DGCDRO CC[N@@H+]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)[C@@H](C)C1 ZINC001659766203 1196413259 /nfs/dbraw/zinc/41/32/59/1196413259.db2.gz PMISHDASNQHBDK-AWEZNQCLSA-N 1 0 320.477 3.224 20 10 DGCDRO CCC[C@H](CCO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC001659841591 1196420299 /nfs/dbraw/zinc/42/02/99/1196420299.db2.gz PMSFGGHJTBHLND-CYBMUJFWSA-N 1 0 316.239 3.104 20 10 DGCDRO [NH3+]CCN(Cc1cc(F)ccc1O)c1ccc2ccccc2n1 ZINC001660049045 1196440377 /nfs/dbraw/zinc/44/03/77/1196440377.db2.gz CDKPGTVDKZBASH-UHFFFAOYSA-N 1 0 311.360 3.045 20 10 DGCDRO COc1nscc1CN(C)Cc1ccc(N(C)C)cc1C ZINC001660074774 1196442330 /nfs/dbraw/zinc/44/23/30/1196442330.db2.gz PPCQJBYWEDBNAO-UHFFFAOYSA-N 1 0 305.447 3.158 20 10 DGCDRO COC(=O)c1csc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC001660169631 1196453749 /nfs/dbraw/zinc/45/37/49/1196453749.db2.gz CCZLQRYKKXOJPA-UHFFFAOYSA-N 1 0 311.790 3.184 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001660193890 1196455848 /nfs/dbraw/zinc/45/58/48/1196455848.db2.gz MUZZUFLRIDJXQR-OLZOCXBDSA-N 1 0 311.372 3.309 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+]Cc2c(C)c3ccccc3n2C)cc1 ZINC001660898650 1196539899 /nfs/dbraw/zinc/53/98/99/1196539899.db2.gz QTRNGRYFNCVCBJ-FQEVSTJZSA-N 1 0 324.424 3.319 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2ccncc2C)ccc1OC ZINC001661959363 1196666065 /nfs/dbraw/zinc/66/60/65/1196666065.db2.gz SGOWOSQDSRQWIV-UHFFFAOYSA-N 1 0 314.429 3.267 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)OC ZINC001662495344 1196725276 /nfs/dbraw/zinc/72/52/76/1196725276.db2.gz HGGUHYRGUYBEDK-MEDUHNTESA-N 1 0 300.393 3.182 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]C[C@@]3(C)CC3(C)C)cc2F)CC1 ZINC001663164853 1196802898 /nfs/dbraw/zinc/80/28/98/1196802898.db2.gz HHINRZFQOVGADL-LJQANCHMSA-N 1 0 319.468 3.103 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]CCC3CC=CC3)cc2F)CC1 ZINC001663246106 1196817477 /nfs/dbraw/zinc/81/74/77/1196817477.db2.gz DVSKHHUKWIFASE-UHFFFAOYSA-N 1 0 317.452 3.023 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC001664144090 1196974895 /nfs/dbraw/zinc/97/48/95/1196974895.db2.gz IJJONLPSBRZLQZ-UHFFFAOYSA-N 1 0 301.478 3.121 20 10 DGCDRO CC[C@H](C)[C@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)OC ZINC001664200082 1196979440 /nfs/dbraw/zinc/97/94/40/1196979440.db2.gz VXDUOJGFIYFODO-YJBOKZPZSA-N 1 0 308.466 3.124 20 10 DGCDRO CN(C)c1ccc(/C=C\CN(C)CC2([NH+](C)C)CCC2)cc1 ZINC001664375431 1196993389 /nfs/dbraw/zinc/99/33/89/1196993389.db2.gz XFAXURDRUMOCDD-VURMDHGXSA-N 1 0 301.478 3.182 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cnn(-c3ccccc3C)c2)c1O ZINC001664594886 1197018594 /nfs/dbraw/zinc/01/85/94/1197018594.db2.gz HNHVSIZSJBRKRO-UHFFFAOYSA-N 1 0 323.396 3.185 20 10 DGCDRO Cc1ccc(C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001664762021 1197054022 /nfs/dbraw/zinc/05/40/22/1197054022.db2.gz UJMKKUCJQBSFTQ-UHFFFAOYSA-N 1 0 320.433 3.188 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC001664873494 1197073807 /nfs/dbraw/zinc/07/38/07/1197073807.db2.gz SFOVIAOKPIRQGC-UKSYNSBOSA-N 1 0 324.468 3.301 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)c(O)c1OC ZINC001665931026 1197218279 /nfs/dbraw/zinc/21/82/79/1197218279.db2.gz DEQVJLLLQNPNQR-CABCVRRESA-N 1 0 305.418 3.325 20 10 DGCDRO CC(C)CCOC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001666608719 1197272779 /nfs/dbraw/zinc/27/27/79/1197272779.db2.gz HRVDROLRBZNMRS-QGZVFWFLSA-N 1 0 321.465 3.128 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)/C=C/C(C)(C)C)cc1C ZINC001669260331 1197445940 /nfs/dbraw/zinc/44/59/40/1197445940.db2.gz VBKMAIGBBLTDEL-BOLDSZDNSA-N 1 0 318.461 3.200 20 10 DGCDRO Cc1ncsc1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000391235432 1197714583 /nfs/dbraw/zinc/71/45/83/1197714583.db2.gz MVLQYRPHQBFWKH-UHFFFAOYSA-N 1 0 301.459 3.384 20 10 DGCDRO CCc1nnc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)s1 ZINC000391877721 1197717184 /nfs/dbraw/zinc/71/71/84/1197717184.db2.gz RUCJBTUSCRPERW-WDEREUQCSA-N 1 0 303.431 3.453 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC(C)(C)C)cc1C ZINC001690553551 1200623474 /nfs/dbraw/zinc/62/34/74/1200623474.db2.gz YOCQEDKZOVFDPL-CQSZACIVSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)CC2(C)CC2)cc1C ZINC001690854501 1200751612 /nfs/dbraw/zinc/75/16/12/1200751612.db2.gz HUDZTIMKSFXAIG-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)CC(C)C)C(C)C)cc1C ZINC001698957631 1201608596 /nfs/dbraw/zinc/60/85/96/1201608596.db2.gz XVNFRZSJQKZHNO-QGZVFWFLSA-N 1 0 320.477 3.280 20 10 DGCDRO C=C/C(C)=C/CC(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001752895251 1202000388 /nfs/dbraw/zinc/00/03/88/1202000388.db2.gz ZSEJMCAFWJFGSY-KAMPRCONSA-N 1 0 316.445 3.120 20 10 DGCDRO CCCC(=O)N(C)[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001700717233 1202341503 /nfs/dbraw/zinc/34/15/03/1202341503.db2.gz OVAVOWXFGNGHPO-QGZVFWFLSA-N 1 0 318.461 3.130 20 10 DGCDRO CCCC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001700717232 1202341678 /nfs/dbraw/zinc/34/16/78/1202341678.db2.gz OVAVOWXFGNGHPO-KRWDZBQOSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)C(C)C)cc1C ZINC001715260781 1203305119 /nfs/dbraw/zinc/30/51/19/1203305119.db2.gz YIBPNDGEZRPBCR-GOEBONIOSA-N 1 0 320.477 3.138 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)C=C(C)C)C(C)C)cc1C ZINC001715489743 1203350990 /nfs/dbraw/zinc/35/09/90/1203350990.db2.gz YZFIMISXLFTLMZ-QGZVFWFLSA-N 1 0 318.461 3.200 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC2(C)CC2)cc1C ZINC001725101603 1204094862 /nfs/dbraw/zinc/09/48/62/1204094862.db2.gz HQPGNWDAJZPOGM-CABCVRRESA-N 1 0 318.461 3.177 20 10 DGCDRO CCC(CC)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001733965589 1205272976 /nfs/dbraw/zinc/27/29/76/1205272976.db2.gz VZRXMOVREHOUDG-CABCVRRESA-N 1 0 320.477 3.423 20 10 DGCDRO CCN(CC)C(=O)C[C@H](C)[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001169487776 1081580418 /nfs/dbraw/zinc/58/04/18/1081580418.db2.gz VNCYXGPFRVRONY-INIZCTEOSA-N 1 0 319.493 3.222 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)c1O ZINC001169748036 1081641904 /nfs/dbraw/zinc/64/19/04/1081641904.db2.gz QBRSACYOLQYSNL-GOSISDBHSA-N 1 0 324.424 3.095 20 10 DGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(Br)cc1O)OC ZINC000691470248 1081859228 /nfs/dbraw/zinc/85/92/28/1081859228.db2.gz SSMDHSQSOQRZKY-QMTHXVAHSA-N 1 0 316.239 3.305 20 10 DGCDRO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000691488046 1081923263 /nfs/dbraw/zinc/92/32/63/1081923263.db2.gz KJBCAAHHWIRDAZ-QWRGUYRKSA-N 1 0 314.223 3.059 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H]1CCCOC1 ZINC000691487992 1081923292 /nfs/dbraw/zinc/92/32/92/1081923292.db2.gz JQYCZHBJKQUJPL-ZYHUDNBSSA-N 1 0 314.223 3.059 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H]1CCCOC1 ZINC000691487989 1081923511 /nfs/dbraw/zinc/92/35/11/1081923511.db2.gz JQYCZHBJKQUJPL-CMPLNLGQSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1O ZINC000398005259 1082052985 /nfs/dbraw/zinc/05/29/85/1082052985.db2.gz GRDZMXAUVPVJRG-VQIMIIECSA-N 1 0 310.441 3.453 20 10 DGCDRO Cc1cc2cc(NCC(=O)c3ccc(O)c(O)c3)ccc2c[nH+]1 ZINC001170321197 1082344751 /nfs/dbraw/zinc/34/47/51/1082344751.db2.gz WTYYUTJVQOYUQA-UHFFFAOYSA-N 1 0 308.337 3.249 20 10 DGCDRO CCC(C)(CC)C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266995141 1082416424 /nfs/dbraw/zinc/41/64/24/1082416424.db2.gz CGMNXCHTBZEZGA-HNNXBMFYSA-N 1 0 320.477 3.424 20 10 DGCDRO CCCC[C@](C)(F)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130472989 1082584532 /nfs/dbraw/zinc/58/45/32/1082584532.db2.gz FHCLSJNTHWEQGP-SFHVURJKSA-N 1 0 324.440 3.128 20 10 DGCDRO Oc1ccc(CC[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)cc1O ZINC001170665610 1083066216 /nfs/dbraw/zinc/06/62/16/1083066216.db2.gz NIBSKCVYEFLYCD-CQSZACIVSA-N 1 0 319.351 3.066 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)CCCC(C)C)cc1C ZINC001134199051 1083256083 /nfs/dbraw/zinc/25/60/83/1083256083.db2.gz QIWIMYJPGYIZQJ-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO Cc1ccc(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)c(O)c1 ZINC001181206748 1083426709 /nfs/dbraw/zinc/42/67/09/1083426709.db2.gz YOVYTLHMRXGAPN-LUAWRHEFSA-N 1 0 324.424 3.010 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1 ZINC001182872519 1083825319 /nfs/dbraw/zinc/82/53/19/1083825319.db2.gz CYKSZCQABNBXDR-KRWDZBQOSA-N 1 0 324.424 3.193 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)c1 ZINC001182958901 1083842845 /nfs/dbraw/zinc/84/28/45/1083842845.db2.gz GSXPUMXDJVLLJO-UHFFFAOYSA-N 1 0 311.360 3.315 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1 ZINC001183023356 1083863011 /nfs/dbraw/zinc/86/30/11/1083863011.db2.gz GHSHMOJABFXMSZ-IBGZPJMESA-N 1 0 321.461 3.173 20 10 DGCDRO COc1cc(C)c(C[NH+]2CC(Cc3ccsc3)C2)c(O)c1 ZINC001183053850 1083867894 /nfs/dbraw/zinc/86/78/94/1083867894.db2.gz SQUSIMULVJGBFE-UHFFFAOYSA-N 1 0 303.427 3.445 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2cc(C(C)C)ccc2O)cn1 ZINC001183217220 1083899459 /nfs/dbraw/zinc/89/94/59/1083899459.db2.gz KFQKKBVSIQCNSI-UHFFFAOYSA-N 1 0 300.402 3.252 20 10 DGCDRO COC(=O)C(C)(C)C[N@@H+](Cc1cccc(F)c1[O-])CC(C)C ZINC001183520604 1083957674 /nfs/dbraw/zinc/95/76/74/1083957674.db2.gz OGQXWBKREMPYFB-UHFFFAOYSA-N 1 0 311.397 3.189 20 10 DGCDRO COC(=O)C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)(C)C ZINC001184011645 1084089198 /nfs/dbraw/zinc/08/91/98/1084089198.db2.gz FVOUYAFNMFYNGI-ZPUOCTKUSA-N 1 0 318.461 3.333 20 10 DGCDRO Oc1c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)ccc2ccccc21 ZINC001184251472 1084136637 /nfs/dbraw/zinc/13/66/37/1084136637.db2.gz MGEZUPAATWQUDG-UYAOXDASSA-N 1 0 305.377 3.293 20 10 DGCDRO CCCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268266665 1084430274 /nfs/dbraw/zinc/43/02/74/1084430274.db2.gz BRYCYXOHJUDXBK-IAGOWNOFSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c(O)c1 ZINC001203634932 1084613952 /nfs/dbraw/zinc/61/39/52/1084613952.db2.gz BRARVSJUQFMDJX-ZDUSSCGKSA-N 1 0 303.402 3.125 20 10 DGCDRO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000092705816 1084663448 /nfs/dbraw/zinc/66/34/48/1084663448.db2.gz GHVTZNGQEHOWSC-QGZVFWFLSA-N 1 0 317.477 3.023 20 10 DGCDRO OCc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203651865 1084740920 /nfs/dbraw/zinc/74/09/20/1084740920.db2.gz YMSRKGWFKZZIOP-UHFFFAOYSA-N 1 0 303.789 3.096 20 10 DGCDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001474651975 1126204835 /nfs/dbraw/zinc/20/48/35/1126204835.db2.gz GCMKCTMFYBYKPE-QGZVFWFLSA-N 1 0 323.795 3.268 20 10 DGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711477847 1085463769 /nfs/dbraw/zinc/46/37/69/1085463769.db2.gz RNXLNNBGPJMGSK-JTQLQIEISA-N 1 0 302.187 3.336 20 10 DGCDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001168155904 1086998776 /nfs/dbraw/zinc/99/87/76/1086998776.db2.gz ILLOEERJGMTASN-LLVKDONJSA-N 1 0 319.788 3.155 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CN3CCC3)n2)cc1 ZINC001212095305 1087195896 /nfs/dbraw/zinc/19/58/96/1087195896.db2.gz ANZRDUAOZIPMFR-UHFFFAOYSA-N 1 0 308.385 3.350 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001649010525 1087574896 /nfs/dbraw/zinc/57/48/96/1087574896.db2.gz XSPLUSKRPBVDHE-ARJAWSKDSA-N 1 0 308.425 3.491 20 10 DGCDRO CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1O ZINC001272619354 1088324844 /nfs/dbraw/zinc/32/48/44/1088324844.db2.gz VBMAPABMYPHLPN-KXBFYZLASA-N 1 0 316.445 3.148 20 10 DGCDRO CC(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1O ZINC001272619784 1088328338 /nfs/dbraw/zinc/32/83/38/1088328338.db2.gz ZHJDZELRYAGRIR-IBGZPJMESA-N 1 0 316.445 3.005 20 10 DGCDRO CCN(Cc1ccccc1O)c1ncc(OC)c(NC(C)C)n1 ZINC001154882790 1088807967 /nfs/dbraw/zinc/80/79/67/1088807967.db2.gz XXHMFNUZRYHWDB-UHFFFAOYSA-N 1 0 316.405 3.038 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)/C=C\C(C)(C)C)cc1C ZINC001155827422 1089259998 /nfs/dbraw/zinc/25/99/98/1089259998.db2.gz ABMCRLWKRVROEY-KTKRTIGZSA-N 1 0 318.461 3.202 20 10 DGCDRO CC(C)Oc1cc[nH+]c(N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001155941720 1089305251 /nfs/dbraw/zinc/30/52/51/1089305251.db2.gz WTNWSLLPOQDKOO-UHFFFAOYSA-N 1 0 314.385 3.233 20 10 DGCDRO CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485185862 1090011671 /nfs/dbraw/zinc/01/16/71/1090011671.db2.gz AASRBNPYJUGJDM-CABCVRRESA-N 1 0 320.477 3.423 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)C(C)=C2CCC2)cc1C ZINC001157699044 1090079719 /nfs/dbraw/zinc/07/97/19/1090079719.db2.gz MZDHYABPOBVBFT-UHFFFAOYSA-N 1 0 316.445 3.100 20 10 DGCDRO COc1ccccc1[C@H](O)C[N@H+](Cc1ccccc1O)C(C)C ZINC001203558456 1090613605 /nfs/dbraw/zinc/61/36/05/1090613605.db2.gz HTANVMVZHVDPRJ-GOSISDBHSA-N 1 0 315.413 3.345 20 10 DGCDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2O)C1 ZINC001203558553 1090614098 /nfs/dbraw/zinc/61/40/98/1090614098.db2.gz MVNAEWFGALSTSK-DZGCQCFKSA-N 1 0 320.433 3.127 20 10 DGCDRO CCn1ncc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001203307168 1090717362 /nfs/dbraw/zinc/71/73/62/1090717362.db2.gz LVUQQHDMGLPJPJ-UHFFFAOYSA-N 1 0 323.444 3.038 20 10 DGCDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC001203550140 1090753319 /nfs/dbraw/zinc/75/33/19/1090753319.db2.gz JPOWJZZZMRGISB-AWEZNQCLSA-N 1 0 320.433 3.224 20 10 DGCDRO Oc1ccccc1C[N@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001203551703 1090754040 /nfs/dbraw/zinc/75/40/40/1090754040.db2.gz KYFPMYVGDGCKSD-IYBDPMFKSA-N 1 0 314.454 3.018 20 10 DGCDRO CC(C)C(=O)N(C)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203665272 1090775693 /nfs/dbraw/zinc/77/56/93/1090775693.db2.gz GAQGMKDXJRYDFT-UHFFFAOYSA-N 1 0 324.852 3.124 20 10 DGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203664264 1090776200 /nfs/dbraw/zinc/77/62/00/1090776200.db2.gz UTSHDYMPRLJKSX-LLVKDONJSA-N 1 0 321.808 3.371 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001203664528 1090776247 /nfs/dbraw/zinc/77/62/47/1090776247.db2.gz IXZHWJMBHPXMLV-UHFFFAOYSA-N 1 0 319.788 3.405 20 10 DGCDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203664756 1090776360 /nfs/dbraw/zinc/77/63/60/1090776360.db2.gz VHJGPOURVXOTPA-UHFFFAOYSA-N 1 0 324.852 3.267 20 10 DGCDRO COc1cccc([C@H]2CC[N@H+](Cc3cc(OC)ccc3O)C2)c1 ZINC001203681465 1090779915 /nfs/dbraw/zinc/77/99/15/1090779915.db2.gz YLZXUEJSQYNDHQ-HNNXBMFYSA-N 1 0 313.397 3.399 20 10 DGCDRO Oc1ccc(C[NH+]2CCC3(COc4ccccc43)CC2)cc1O ZINC001203881854 1090826298 /nfs/dbraw/zinc/82/62/98/1090826298.db2.gz VEJIHRVECSZLKH-UHFFFAOYSA-N 1 0 311.381 3.024 20 10 DGCDRO Oc1ccc(C[N@H+](Cc2ccccc2)C2CCOCC2)cc1O ZINC001203882771 1090826457 /nfs/dbraw/zinc/82/64/57/1090826457.db2.gz UZDHHJBPKFFGEU-UHFFFAOYSA-N 1 0 313.397 3.279 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCN(c3cccc(F)c3)CC2)cc1 ZINC001203935634 1090842630 /nfs/dbraw/zinc/84/26/30/1090842630.db2.gz AHNIXAKYXVRYGP-UHFFFAOYSA-N 1 0 313.420 3.214 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)cc1 ZINC001203937645 1090844112 /nfs/dbraw/zinc/84/41/12/1090844112.db2.gz IMIGFLORZAZHOV-OAQYLSRUSA-N 1 0 321.468 3.168 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)cc1 ZINC001203946506 1090848623 /nfs/dbraw/zinc/84/86/23/1090848623.db2.gz UNNQZCIAYVZGDX-SJLPKXTDSA-N 1 0 300.446 3.334 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCOCC23CCCC3)cc1F ZINC001204078616 1090895244 /nfs/dbraw/zinc/89/52/44/1090895244.db2.gz AOVVLFNSMZKXPO-KRWDZBQOSA-N 1 0 324.415 3.470 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@@H]1O ZINC001204233173 1090930776 /nfs/dbraw/zinc/93/07/76/1090930776.db2.gz OOUSKQAYXXGJEL-QRWLVFNGSA-N 1 0 312.457 3.499 20 10 DGCDRO CC(=O)N1CCC([N@H+](C)Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143110543 1090937512 /nfs/dbraw/zinc/93/75/12/1090937512.db2.gz IQSQJEBQWWCRCA-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(O)cc1O ZINC001204275615 1090938078 /nfs/dbraw/zinc/93/80/78/1090938078.db2.gz XGBMEAWGJYHWTD-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO O=C(c1ccccc1)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204273090 1090938146 /nfs/dbraw/zinc/93/81/46/1090938146.db2.gz XMOWNEJFZGMHCV-UHFFFAOYSA-N 1 0 311.381 3.193 20 10 DGCDRO OCC[C@H]1CC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204325075 1090949103 /nfs/dbraw/zinc/94/91/03/1090949103.db2.gz QMDZTDLKOGRWIO-SFHVURJKSA-N 1 0 314.473 3.271 20 10 DGCDRO COC(=O)C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC001204322647 1090949482 /nfs/dbraw/zinc/94/94/82/1090949482.db2.gz URGOBTATOPLCEM-UHFFFAOYSA-N 1 0 316.445 3.204 20 10 DGCDRO COC(=O)CC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327790 1090950677 /nfs/dbraw/zinc/95/06/77/1090950677.db2.gz IONWTCTZOBNZLD-UHFFFAOYSA-N 1 0 316.445 3.062 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](CCCO)CC(C)(C)C)cc1 ZINC001204459140 1090974156 /nfs/dbraw/zinc/97/41/56/1090974156.db2.gz AYOCYXPJOMEIPY-VURMDHGXSA-N 1 0 304.478 3.496 20 10 DGCDRO Oc1ccc(F)c(F)c1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001276471181 1090993104 /nfs/dbraw/zinc/99/31/04/1090993104.db2.gz BYXJCYZBABHLMC-UHFFFAOYSA-N 1 0 322.399 3.121 20 10 DGCDRO [NH3+][C@H]1CCCN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001204885247 1091054957 /nfs/dbraw/zinc/05/49/57/1091054957.db2.gz PORYTBJPQUWHMA-KRWDZBQOSA-N 1 0 300.377 3.121 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC001205101131 1091101745 /nfs/dbraw/zinc/10/17/45/1091101745.db2.gz OFRACHJROCJJPA-HMTUNPETSA-N 1 0 316.489 3.495 20 10 DGCDRO C[C@]1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCCCO1 ZINC001205101919 1091102635 /nfs/dbraw/zinc/10/26/35/1091102635.db2.gz YOHVOEMNGXQVSA-IEBWSBKVSA-N 1 0 319.445 3.332 20 10 DGCDRO OC[C@@]1(F)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138215601 1091118318 /nfs/dbraw/zinc/11/83/18/1091118318.db2.gz LAEQESIFVVKQMK-LJQANCHMSA-N 1 0 320.452 3.363 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001138215626 1091118459 /nfs/dbraw/zinc/11/84/59/1091118459.db2.gz MDJQGGCAFFJHFE-LJQANCHMSA-N 1 0 300.446 3.432 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001138215625 1091118851 /nfs/dbraw/zinc/11/88/51/1091118851.db2.gz MDJQGGCAFFJHFE-IBGZPJMESA-N 1 0 300.446 3.432 20 10 DGCDRO CN1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1(C)C ZINC001138221108 1091120445 /nfs/dbraw/zinc/12/04/45/1091120445.db2.gz ZYVUMGWCDNXWOL-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138257922 1091125938 /nfs/dbraw/zinc/12/59/38/1091125938.db2.gz DASLLRLVPKBUJL-HNNXBMFYSA-N 1 0 314.429 3.262 20 10 DGCDRO Cc1c(C[N@@H+]2CCC[C@@](C)(CO)CC2)c2ccccc2n1C ZINC001138252655 1091126598 /nfs/dbraw/zinc/12/65/98/1091126598.db2.gz OWGUUWNWMZSDCF-LJQANCHMSA-N 1 0 300.446 3.471 20 10 DGCDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)c2ccccc2n1C ZINC001138252749 1091127000 /nfs/dbraw/zinc/12/70/00/1091127000.db2.gz SRQBWPPAKVQGMC-AUUYWEPGSA-N 1 0 300.446 3.470 20 10 DGCDRO COC(=O)C[N@H+](Cc1c(C)n(C)c2ccccc12)C1CCCC1 ZINC001138258075 1091127025 /nfs/dbraw/zinc/12/70/25/1091127025.db2.gz KMIUBVQQWTYXSU-UHFFFAOYSA-N 1 0 314.429 3.404 20 10 DGCDRO COc1cc2c(cn1)CCN(Cc1c(C)n(C)c3ccccc31)C2 ZINC001138259684 1091128196 /nfs/dbraw/zinc/12/81/96/1091128196.db2.gz MBYJGDCNLDNJJH-UHFFFAOYSA-N 1 0 321.424 3.449 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@H](CF)C2)cc2c3c1CCCN3CCC2 ZINC001138336841 1091144958 /nfs/dbraw/zinc/14/49/58/1091144958.db2.gz FZSIKIVPWARKHU-CQSZACIVSA-N 1 0 318.436 3.273 20 10 DGCDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCN4C)C[C@@H]21 ZINC001138356221 1091150245 /nfs/dbraw/zinc/15/02/45/1091150245.db2.gz FXAXLWJXNWYADZ-WSTZPKSXSA-N 1 0 314.473 3.316 20 10 DGCDRO Cc1nc2c(s1)C[N@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001138356057 1091150646 /nfs/dbraw/zinc/15/06/46/1091150646.db2.gz AESCPHKRRPFTAK-UHFFFAOYSA-N 1 0 313.470 3.392 20 10 DGCDRO CC(C)[N@H+](Cc1ccc2c(c1)CCCN2C)C1CCN(C)CC1 ZINC001138359653 1091152069 /nfs/dbraw/zinc/15/20/69/1091152069.db2.gz XRCNEGDQIDDLOB-UHFFFAOYSA-N 1 0 315.505 3.374 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCc4cccc(O)c4C3)ccc21 ZINC001138356971 1091152336 /nfs/dbraw/zinc/15/23/36/1091152336.db2.gz WPXWIRSATGTSCE-UHFFFAOYSA-N 1 0 308.425 3.333 20 10 DGCDRO CN1CCCc2cc(CN3CC[NH+](C4CCCC4)CC3)ccc21 ZINC001138358676 1091152476 /nfs/dbraw/zinc/15/24/76/1091152476.db2.gz XGVAWHFSMLGPAA-UHFFFAOYSA-N 1 0 313.489 3.129 20 10 DGCDRO CN1CCCc2cc(CN3CC[C@H]([NH+]4CCCCC4)C3)ccc21 ZINC001138357143 1091152607 /nfs/dbraw/zinc/15/26/07/1091152607.db2.gz DLPAWUMEDXUSIU-IBGZPJMESA-N 1 0 313.489 3.129 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c(OC)c1 ZINC001138386171 1091161116 /nfs/dbraw/zinc/16/11/16/1091161116.db2.gz IIOYEQUSFGPJDM-MAUKXSAKSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](COC)C2)c(OC)c1 ZINC001138386220 1091161333 /nfs/dbraw/zinc/16/13/33/1091161333.db2.gz KCQPXXMXMUUVHA-OAHLLOKOSA-N 1 0 306.450 3.010 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c(OC)c1 ZINC001138386524 1091161591 /nfs/dbraw/zinc/16/15/91/1091161591.db2.gz POZXTMNOLDPZSV-BEFAXECRSA-N 1 0 318.461 3.152 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)c(OC)c1 ZINC001138386461 1091161682 /nfs/dbraw/zinc/16/16/82/1091161682.db2.gz NSHKBFUSDVETIM-IBGZPJMESA-N 1 0 320.477 3.278 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(OC)c1 ZINC001138390436 1091164929 /nfs/dbraw/zinc/16/49/29/1091164929.db2.gz WZQQUAWHVCQKMF-FUHWJXTLSA-N 1 0 318.461 3.152 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)s1 ZINC001138493664 1091205639 /nfs/dbraw/zinc/20/56/39/1091205639.db2.gz SFYKXRRYVFNUJV-UHFFFAOYSA-N 1 0 318.442 3.174 20 10 DGCDRO [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001137837778 1091208078 /nfs/dbraw/zinc/20/80/78/1091208078.db2.gz UPOXHXJLUNWGTH-OAHLLOKOSA-N 1 0 301.361 3.322 20 10 DGCDRO CCCn1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1C ZINC001138642427 1091273761 /nfs/dbraw/zinc/27/37/61/1091273761.db2.gz YCAWOHOWRYXIDH-UHFFFAOYSA-N 1 0 300.450 3.300 20 10 DGCDRO CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(N(C)C)cc1C ZINC001205692593 1091314793 /nfs/dbraw/zinc/31/47/93/1091314793.db2.gz GQEXKXZWQWNPFD-UHFFFAOYSA-N 1 0 303.494 3.369 20 10 DGCDRO C[C@H]1[C@H](C[NH3+])CCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001205916172 1091412281 /nfs/dbraw/zinc/41/22/81/1091412281.db2.gz SGYMDEUOKFJRHH-UWVGGRQHSA-N 1 0 303.233 3.258 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(N3CCCCC3)nc1)CC2 ZINC001139344593 1091524967 /nfs/dbraw/zinc/52/49/67/1091524967.db2.gz AVOJVKIODZVUDJ-UHFFFAOYSA-N 1 0 323.440 3.336 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1O ZINC001206236814 1091545381 /nfs/dbraw/zinc/54/53/81/1091545381.db2.gz DEUVTPIGBVJSSB-OAHLLOKOSA-N 1 0 316.367 3.155 20 10 DGCDRO [NH3+]C[C@]1(F)CCCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001206344456 1091587046 /nfs/dbraw/zinc/58/70/46/1091587046.db2.gz SHCFXPZLVHWSQE-LJQANCHMSA-N 1 0 319.468 3.330 20 10 DGCDRO CC[NH+](CC)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139671870 1091637418 /nfs/dbraw/zinc/63/74/18/1091637418.db2.gz PUXSERLNYBXVIC-UHFFFAOYSA-N 1 0 303.494 3.367 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)ccc1N(C)C ZINC001139673204 1091639729 /nfs/dbraw/zinc/63/97/29/1091639729.db2.gz CLKPCRWFRMCCFL-INIZCTEOSA-N 1 0 310.388 3.061 20 10 DGCDRO C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001206574160 1091674618 /nfs/dbraw/zinc/67/46/18/1091674618.db2.gz PVAPMUZKPQTZOF-HNNXBMFYSA-N 1 0 300.805 3.136 20 10 DGCDRO COCCC(C)(C)[NH2+]Cc1ccc(Br)cc1O ZINC000691405024 1091738797 /nfs/dbraw/zinc/73/87/97/1091738797.db2.gz CWTMNBBLEXCVCT-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO Oc1ccc(F)cc1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001140063759 1091755023 /nfs/dbraw/zinc/75/50/23/1091755023.db2.gz YWNUSQYYUNXXIL-UHFFFAOYSA-N 1 0 318.436 3.372 20 10 DGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](F)CC1 ZINC001140098670 1091767823 /nfs/dbraw/zinc/76/78/23/1091767823.db2.gz KNTGRIPYWYXXPD-JTQLQIEISA-N 1 0 302.187 3.479 20 10 DGCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(F)(F)F)c1O ZINC001276498310 1091772107 /nfs/dbraw/zinc/77/21/07/1091772107.db2.gz UQHVFCSIJNZYKQ-YHWZYXNKSA-N 1 0 314.351 3.126 20 10 DGCDRO Cc1ccc(C)c(CN2CC[NH+](CC3CCCC3)CC2)c1O ZINC001140180536 1091793670 /nfs/dbraw/zinc/79/36/70/1091793670.db2.gz YNLNCWPYMNTANK-UHFFFAOYSA-N 1 0 302.462 3.317 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1C ZINC001140184855 1091795054 /nfs/dbraw/zinc/79/50/54/1091795054.db2.gz IKTOUJSHEWQWBA-JKSUJKDBSA-N 1 0 319.445 3.420 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1O ZINC001140184067 1091795240 /nfs/dbraw/zinc/79/52/40/1091795240.db2.gz LRIZQNYVMFVQLW-UHFFFAOYSA-N 1 0 313.397 3.369 20 10 DGCDRO CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCCC34CC4)cc2)CC1 ZINC001140306436 1091819775 /nfs/dbraw/zinc/81/97/75/1091819775.db2.gz RXMXGULWSUCOFQ-UHFFFAOYSA-N 1 0 313.489 3.347 20 10 DGCDRO Cc1cccc(O[C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC001140342561 1091834612 /nfs/dbraw/zinc/83/46/12/1091834612.db2.gz PGRCTHNPRWULJN-CYBMUJFWSA-N 1 0 318.804 3.402 20 10 DGCDRO Cc1cccc(O[C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC001140342562 1091834834 /nfs/dbraw/zinc/83/48/34/1091834834.db2.gz PGRCTHNPRWULJN-ZDUSSCGKSA-N 1 0 318.804 3.402 20 10 DGCDRO C[N@H+](Cc1ccc(-c2cncnc2)cc1)Cc1ccccc1O ZINC001140356579 1091840645 /nfs/dbraw/zinc/84/06/45/1091840645.db2.gz LEUIUFJPMZXXIL-UHFFFAOYSA-N 1 0 305.381 3.481 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001140461644 1091874918 /nfs/dbraw/zinc/87/49/18/1091874918.db2.gz OQUJHKLMLJPENI-CYBMUJFWSA-N 1 0 323.742 3.325 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c1 ZINC001140617490 1091932307 /nfs/dbraw/zinc/93/23/07/1091932307.db2.gz RBOPXZRFLOSVFR-UHFFFAOYSA-N 1 0 311.425 3.270 20 10 DGCDRO Cc1ccc(O)c(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c1 ZINC001140624455 1091936182 /nfs/dbraw/zinc/93/61/82/1091936182.db2.gz XNLSFFSJOIRVLH-IRXDYDNUSA-N 1 0 306.425 3.099 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001140623673 1091936413 /nfs/dbraw/zinc/93/64/13/1091936413.db2.gz OVLSORMBSYIWOV-KRWDZBQOSA-N 1 0 310.441 3.407 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c1 ZINC001140624259 1091936458 /nfs/dbraw/zinc/93/64/58/1091936458.db2.gz NJVPYVOYAHTGAY-KRWDZBQOSA-N 1 0 310.397 3.304 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140660165 1091947602 /nfs/dbraw/zinc/94/76/02/1091947602.db2.gz HYKMXFCEROGSOZ-HZPDHXFCSA-N 1 0 318.436 3.284 20 10 DGCDRO COc1cccc(CC[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001207433143 1091966695 /nfs/dbraw/zinc/96/66/95/1091966695.db2.gz MOJKNAFPYXNBGO-UHFFFAOYSA-N 1 0 313.397 3.097 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)Cc2ccccc2F)cc1Cl ZINC001207563780 1092023126 /nfs/dbraw/zinc/02/31/26/1092023126.db2.gz FOISNTALSVUQIR-AWEZNQCLSA-N 1 0 323.795 3.186 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCOC3)CC2)c(O)c1 ZINC001140851022 1092028952 /nfs/dbraw/zinc/02/89/52/1092028952.db2.gz YQVAYQWRMLQDOQ-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@@H]([N@H+](C)C(C)C)C2)c(O)c1 ZINC001140857259 1092032399 /nfs/dbraw/zinc/03/23/99/1092032399.db2.gz NUSAHNYBGCWCRC-GOSISDBHSA-N 1 0 319.493 3.153 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c(Cl)c1 ZINC001140922521 1092063515 /nfs/dbraw/zinc/06/35/15/1092063515.db2.gz SNNSRFFVTYDQKV-QGZVFWFLSA-N 1 0 310.869 3.391 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c(Cl)c1 ZINC001140922450 1092063695 /nfs/dbraw/zinc/06/36/95/1092063695.db2.gz RBUATCAPHMUZOD-QGZVFWFLSA-N 1 0 310.869 3.389 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001140925856 1092065443 /nfs/dbraw/zinc/06/54/43/1092065443.db2.gz FXXMSMAMPVBVLK-ZBFHGGJFSA-N 1 0 307.869 3.075 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c(O)c1 ZINC001140951078 1092077326 /nfs/dbraw/zinc/07/73/26/1092077326.db2.gz XXVIRXNMFTZDPM-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140952391 1092078088 /nfs/dbraw/zinc/07/80/88/1092078088.db2.gz PXGJBJUISWOYLX-QFBILLFUSA-N 1 0 319.445 3.108 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC001140953866 1092078901 /nfs/dbraw/zinc/07/89/01/1092078901.db2.gz ICFYVMDOFGSPRP-GJZGRUSLSA-N 1 0 305.418 3.112 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c(O)c1 ZINC001140958373 1092080912 /nfs/dbraw/zinc/08/09/12/1092080912.db2.gz ZOHOITORIGXDBZ-LJQANCHMSA-N 1 0 308.425 3.116 20 10 DGCDRO CCc1noc(C2CC[NH+](Cc3ccc(C)cc3O)CC2)n1 ZINC001140958170 1092081540 /nfs/dbraw/zinc/08/15/40/1092081540.db2.gz TXRHBGUFVUTESR-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO COC(=O)c1cccc2c1C[N@H+](Cc1ccc(C)cc1O)CC2 ZINC001140958259 1092081629 /nfs/dbraw/zinc/08/16/29/1092081629.db2.gz WHRREWGXZMZBJL-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO COc1ccc(C[NH2+]CCCc2ccsc2)c(O)c1OC ZINC001207837350 1092113795 /nfs/dbraw/zinc/11/37/95/1092113795.db2.gz PGGIZPQNQSZEOR-UHFFFAOYSA-N 1 0 307.415 3.193 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]CCC2CSC2)c1O ZINC001207844500 1092118316 /nfs/dbraw/zinc/11/83/16/1092118316.db2.gz NVJRVHBTLDTCLO-UHFFFAOYSA-N 1 0 316.264 3.306 20 10 DGCDRO C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CC[C@H](O)CC1 ZINC001141075224 1092129142 /nfs/dbraw/zinc/12/91/42/1092129142.db2.gz JLOAXLNAQTVIAD-WGSAOQKQSA-N 1 0 314.473 3.121 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCCC1=O ZINC001141075074 1092130021 /nfs/dbraw/zinc/13/00/21/1092130021.db2.gz XTLICFXQIDKRQE-OAHLLOKOSA-N 1 0 312.457 3.186 20 10 DGCDRO c1cnc2c(c1)C[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141076065 1092130172 /nfs/dbraw/zinc/13/01/72/1092130172.db2.gz LLPGSUZRNRTREJ-UHFFFAOYSA-N 1 0 319.452 3.339 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](Oc4ccccc4)C3)ccc21 ZINC001141143151 1092148421 /nfs/dbraw/zinc/14/84/21/1092148421.db2.gz PBEUCEGWPKQVCX-SFHVURJKSA-N 1 0 324.424 3.169 20 10 DGCDRO CN1CCOc2cc(C[N@H+](C)Cc3ccc(F)cc3)ccc21 ZINC001141139158 1092148447 /nfs/dbraw/zinc/14/84/47/1092148447.db2.gz LCRVPZLQAXFXKI-UHFFFAOYSA-N 1 0 300.377 3.286 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](F)C(F)(F)CC3)ccc21 ZINC001141141110 1092149208 /nfs/dbraw/zinc/14/92/08/1092149208.db2.gz UDUZZDAJQOTABM-OAHLLOKOSA-N 1 0 314.351 3.084 20 10 DGCDRO Oc1ccc(O)c(C[N@H+](Cc2ccccc2)C2CCOCC2)c1 ZINC001141159165 1092156131 /nfs/dbraw/zinc/15/61/31/1092156131.db2.gz AXGOGKYAEUPJAQ-UHFFFAOYSA-N 1 0 313.397 3.279 20 10 DGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)c1 ZINC001141161830 1092157768 /nfs/dbraw/zinc/15/77/68/1092157768.db2.gz ZMDNKXNIECWSHI-GOSISDBHSA-N 1 0 313.397 3.279 20 10 DGCDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(O)ccc1O ZINC001141162439 1092157932 /nfs/dbraw/zinc/15/79/32/1092157932.db2.gz RLDATIFAKDRWTC-ZDUSSCGKSA-N 1 0 301.386 3.169 20 10 DGCDRO C[N@H+](Cc1ccc(-c2ncccn2)cc1)Cc1ccccc1O ZINC001141190712 1092167706 /nfs/dbraw/zinc/16/77/06/1092167706.db2.gz RTEFVMQZUWIFOR-UHFFFAOYSA-N 1 0 305.381 3.481 20 10 DGCDRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+](C)Cc1ccccc1O ZINC001208228442 1092285652 /nfs/dbraw/zinc/28/56/52/1092285652.db2.gz ZTZOQVQEFUFPNW-CQSZACIVSA-N 1 0 313.397 3.432 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001168819993 1092396188 /nfs/dbraw/zinc/39/61/88/1092396188.db2.gz XABWROMBTCSVEX-RDBSUJKOSA-N 1 0 320.433 3.441 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142530267 1092493593 /nfs/dbraw/zinc/49/35/93/1092493593.db2.gz BJDTUKBKNZRGJI-UHFFFAOYSA-N 1 0 306.356 3.368 20 10 DGCDRO CC(C)(C)c1cccc(CN2CC[NH+](CC3CC3)CC2)c1O ZINC001143111053 1092616630 /nfs/dbraw/zinc/61/66/30/1092616630.db2.gz VSDVDDUTIVWDRS-UHFFFAOYSA-N 1 0 302.462 3.217 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1O ZINC001143117234 1092617686 /nfs/dbraw/zinc/61/76/86/1092617686.db2.gz YWLFGSGPPWNEDU-OAHLLOKOSA-N 1 0 314.433 3.118 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CC([NH+]3CCCC3)C2)cc1 ZINC001209517200 1092805885 /nfs/dbraw/zinc/80/58/85/1092805885.db2.gz FAAXINOFWLPRED-UHFFFAOYSA-N 1 0 309.457 3.374 20 10 DGCDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001209886462 1092964057 /nfs/dbraw/zinc/96/40/57/1092964057.db2.gz LZLHPJDEXJTKBC-OKILXGFUSA-N 1 0 314.404 3.381 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210311785 1093121103 /nfs/dbraw/zinc/12/11/03/1093121103.db2.gz OJXSHRNPBBFDBS-QGZVFWFLSA-N 1 0 316.832 3.062 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210355008 1093134659 /nfs/dbraw/zinc/13/46/59/1093134659.db2.gz GZZBGKGSUJAHDG-QGZVFWFLSA-N 1 0 316.832 3.062 20 10 DGCDRO Cc1ccc2c(c1Nc1c[nH+]cn1C)C(=O)c1ccccc1C2=O ZINC001211249781 1093432890 /nfs/dbraw/zinc/43/28/90/1093432890.db2.gz BETXCVUJSIVGLL-UHFFFAOYSA-N 1 0 317.348 3.248 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(O)c1 ZINC000183212100 1093995537 /nfs/dbraw/zinc/99/55/37/1093995537.db2.gz DKDIGJVHTCPONS-KRWDZBQOSA-N 1 0 317.360 3.193 20 10 DGCDRO CC(C)C(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134883235 1094323402 /nfs/dbraw/zinc/32/34/02/1094323402.db2.gz ZLCYWWPYKTVTKS-KRWDZBQOSA-N 1 0 319.493 3.154 20 10 DGCDRO c1ccc(/N=N/c2ccc(O[C@@H]3CN4C[C@H]3[NH2+]CC4)cc2)cc1 ZINC001218109263 1094608735 /nfs/dbraw/zinc/60/87/35/1094608735.db2.gz KUAQHGQQDFYCBX-CQOSDQHZSA-N 1 0 308.385 3.137 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC001336284505 1094614875 /nfs/dbraw/zinc/61/48/75/1094614875.db2.gz AEOJCIKOPCDHKM-RTBURBONSA-N 1 0 314.404 3.496 20 10 DGCDRO C[C@@H](NC(=O)[C@H]1CCCCC12CC[NH2+]CC2)c1ccccc1O ZINC001122191097 1094921643 /nfs/dbraw/zinc/92/16/43/1094921643.db2.gz JFAKYAXYKGJFBR-GDBMZVCRSA-N 1 0 316.445 3.129 20 10 DGCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1O ZINC001276805081 1094976409 /nfs/dbraw/zinc/97/64/09/1094976409.db2.gz QQEJIGKUJPELQR-YOGCLGLASA-N 1 0 315.244 3.414 20 10 DGCDRO C[C@@H]([NH3+])C(=O)N(c1ccc(N)cc1)c1ccc2ccccc2c1N ZINC001219471836 1094980536 /nfs/dbraw/zinc/98/05/36/1094980536.db2.gz VEEYIRIWTHVUME-GFCCVEGCSA-N 1 0 320.396 3.016 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C)[C@H]1CCCOC1 ZINC001337602658 1095033241 /nfs/dbraw/zinc/03/32/41/1095033241.db2.gz STNQQIPYCLSLPK-QXSJWSMHSA-N 1 0 319.445 3.280 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C)[C@H]1CCCOC1 ZINC001337602657 1095033290 /nfs/dbraw/zinc/03/32/90/1095033290.db2.gz STNQQIPYCLSLPK-JONQDZQNSA-N 1 0 319.445 3.280 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@](C)(O)C(F)(F)F ZINC001337800182 1095100269 /nfs/dbraw/zinc/10/02/69/1095100269.db2.gz LHHBXINPABQDNS-BFVZDQMLSA-N 1 0 303.324 3.152 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001171099763 1095364395 /nfs/dbraw/zinc/36/43/95/1095364395.db2.gz KYZRNYWTJILHCM-HNNXBMFYSA-N 1 0 303.789 3.398 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCCOC(C)(C)C)CC2)cc1 ZINC001116415602 1095543891 /nfs/dbraw/zinc/54/38/91/1095543891.db2.gz CAZZFCHJNYZEDK-UHFFFAOYSA-N 1 0 320.477 3.413 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1C ZINC001116443246 1095554921 /nfs/dbraw/zinc/55/49/21/1095554921.db2.gz LLDGTPZXTDPDEI-HZPDHXFCSA-N 1 0 319.468 3.198 20 10 DGCDRO CC(C)(C)c1cccc(CN2CCC[C@@]3(CCC[NH2+]3)C2)c1O ZINC001222354215 1095570385 /nfs/dbraw/zinc/57/03/85/1095570385.db2.gz LCHPRYKESGPYFI-IBGZPJMESA-N 1 0 302.462 3.408 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC001116584288 1095608757 /nfs/dbraw/zinc/60/87/57/1095608757.db2.gz CZLVPKIUZYCLGH-KRLKJCFRSA-N 1 0 309.409 3.497 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222434618 1095612732 /nfs/dbraw/zinc/61/27/32/1095612732.db2.gz LAUFWKKKRZLVFG-HNNXBMFYSA-N 1 0 315.244 3.417 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222434404 1095612758 /nfs/dbraw/zinc/61/27/58/1095612758.db2.gz JADJWZYKYVNRCG-HNNXBMFYSA-N 1 0 314.351 3.129 20 10 DGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001116812143 1095668408 /nfs/dbraw/zinc/66/84/08/1095668408.db2.gz YTFGYKPHIBZRCN-FQEVSTJZSA-N 1 0 310.441 3.418 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C)[C@H]1CCCO1 ZINC001116853456 1095679697 /nfs/dbraw/zinc/67/96/97/1095679697.db2.gz HBOPHCGCIYFFIE-KNCOVGOOSA-N 1 0 305.418 3.033 20 10 DGCDRO C[N@H+](CCc1cccc(Cl)c1)Cc1c(O)cc(O)cc1O ZINC001144514411 1095698912 /nfs/dbraw/zinc/69/89/12/1095698912.db2.gz CAMMCXVSRXWRKQ-UHFFFAOYSA-N 1 0 307.777 3.131 20 10 DGCDRO CC[N@H+](Cc1ccc(C)c(C)c1)Cc1c(O)cc(O)cc1O ZINC001144515914 1095699615 /nfs/dbraw/zinc/69/96/15/1095699615.db2.gz IWYVFZUCBCYSFF-UHFFFAOYSA-N 1 0 301.386 3.442 20 10 DGCDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1F ZINC001137839701 1095759840 /nfs/dbraw/zinc/75/98/40/1095759840.db2.gz GYZFRYWNRVHQED-LBPRGKRZSA-N 1 0 309.381 3.228 20 10 DGCDRO Cc1cc(CN2CCc3nn(C)cc3C2)c(C)n1-c1ccccc1 ZINC001137857373 1095770359 /nfs/dbraw/zinc/77/03/59/1095770359.db2.gz FKSNOHABVMIWTN-UHFFFAOYSA-N 1 0 320.440 3.386 20 10 DGCDRO [NH3+]Cc1ccccc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC001340056744 1095840518 /nfs/dbraw/zinc/84/05/18/1095840518.db2.gz PRMAGZRFNWNCGD-UHFFFAOYSA-N 1 0 309.413 3.388 20 10 DGCDRO Cc1cccnc1OC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138130792 1095900915 /nfs/dbraw/zinc/90/09/15/1095900915.db2.gz HYTLIQVRRNEHMK-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)c(O)c1 ZINC001171513077 1096915444 /nfs/dbraw/zinc/91/54/44/1096915444.db2.gz TUTKQYDRWJZHTA-LLVKDONJSA-N 1 0 323.314 3.162 20 10 DGCDRO C[C@H]1C[C@H]([N@@H+]2CCc3cccc(O)c3C2)CN1Cc1ccccc1 ZINC001171760228 1096963855 /nfs/dbraw/zinc/96/38/55/1096963855.db2.gz SHMHSXMWYXAXTN-LPHOPBHVSA-N 1 0 322.452 3.413 20 10 DGCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1O ZINC001172549483 1097176874 /nfs/dbraw/zinc/17/68/74/1097176874.db2.gz RHLRGUWAHOTJJR-SIXWZSSISA-N 1 0 313.397 3.057 20 10 DGCDRO COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001172600637 1097191718 /nfs/dbraw/zinc/19/17/18/1097191718.db2.gz FPCJWHSPWLTUGF-CWRNSKLLSA-N 1 0 304.434 3.135 20 10 DGCDRO c1nc2c(s1)C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC001173119750 1097335039 /nfs/dbraw/zinc/33/50/39/1097335039.db2.gz AISNXQMBHGLJIZ-HNNXBMFYSA-N 1 0 313.470 3.390 20 10 DGCDRO COc1cccc2c1C[C@H]([NH2+]Cc1c(C)cc(C)cc1O)CO2 ZINC001173151730 1097350645 /nfs/dbraw/zinc/35/06/45/1097350645.db2.gz WSTKYXRGHUFUSC-AWEZNQCLSA-N 1 0 313.397 3.111 20 10 DGCDRO CCCC[N@H+](C)Cc1c(Br)ccc(OC)c1O ZINC001231547863 1097777286 /nfs/dbraw/zinc/77/72/86/1097777286.db2.gz KOOPOBAGOXFTLJ-UHFFFAOYSA-N 1 0 302.212 3.395 20 10 DGCDRO COc1ccc(Br)c(C[N@H+](C)CCC2CC2)c1O ZINC001231556681 1097778967 /nfs/dbraw/zinc/77/89/67/1097778967.db2.gz LUGVXEWAWWYEPV-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590381 1097785560 /nfs/dbraw/zinc/78/55/60/1097785560.db2.gz XCRQQSFMEONXHW-UKRRQHHQSA-N 1 0 313.397 3.176 20 10 DGCDRO Cc1cc(Nc2ccc(C(=O)OC(C)(C)C)cc2O)cc[nH+]1 ZINC001174657308 1097805813 /nfs/dbraw/zinc/80/58/13/1097805813.db2.gz FNPAHHCLDMJGHS-UHFFFAOYSA-N 1 0 300.358 3.216 20 10 DGCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231846140 1097861601 /nfs/dbraw/zinc/86/16/01/1097861601.db2.gz BXSOWSZKUGLNOS-MPGHIAIKSA-N 1 0 317.429 3.173 20 10 DGCDRO CCc1noc([C@H]2CCC[N@H+](Cc3c(C)cc(C)cc3O)C2)n1 ZINC001231848593 1097863201 /nfs/dbraw/zinc/86/32/01/1097863201.db2.gz IZJBUEDCOCOJSV-AWEZNQCLSA-N 1 0 315.417 3.334 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)c(O)c1 ZINC001231850446 1097864172 /nfs/dbraw/zinc/86/41/72/1097864172.db2.gz PUILUCKBQRCBFP-INIZCTEOSA-N 1 0 312.413 3.366 20 10 DGCDRO COc1cc(N(C)C)ccc1CN(C)Cc1ccc(Cl)nc1 ZINC001231855105 1097864591 /nfs/dbraw/zinc/86/45/91/1097864591.db2.gz QLKBVZFABSPCBX-UHFFFAOYSA-N 1 0 319.836 3.442 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1C(C)(C)OC ZINC001231853392 1097865250 /nfs/dbraw/zinc/86/52/50/1097865250.db2.gz JTEUESOVIJPXMG-KRWDZBQOSA-N 1 0 306.450 3.151 20 10 DGCDRO COC(=O)C[N@H+](Cc1cc(Cl)c(C)cc1O)C1CCCC1 ZINC001231870340 1097871632 /nfs/dbraw/zinc/87/16/32/1097871632.db2.gz VBVZFUJIUNPSEP-UHFFFAOYSA-N 1 0 311.809 3.272 20 10 DGCDRO CCC[N@H+]1C[C@H]2CN(Cc3cc(Cl)c(C)cc3O)C[C@H]2C1 ZINC001231871457 1097872144 /nfs/dbraw/zinc/87/21/44/1097872144.db2.gz KZRQACDBZZZWCE-GASCZTMLSA-N 1 0 308.853 3.128 20 10 DGCDRO CC[N@H+](CCCC(=O)OC)Cc1ccc2ccccc2c1O ZINC001231879613 1097876914 /nfs/dbraw/zinc/87/69/14/1097876914.db2.gz KOMYCEQJKRHFMX-UHFFFAOYSA-N 1 0 301.386 3.321 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231880501 1097877223 /nfs/dbraw/zinc/87/72/23/1097877223.db2.gz GYJTVBWAYVQQTK-AWEZNQCLSA-N 1 0 313.397 3.321 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)[C@H]1C ZINC001231880286 1097877278 /nfs/dbraw/zinc/87/72/78/1097877278.db2.gz BGAYKVZEGMRMSW-BBRMVZONSA-N 1 0 313.397 3.319 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231880504 1097877875 /nfs/dbraw/zinc/87/78/75/1097877875.db2.gz GYJTVBWAYVQQTK-CQSZACIVSA-N 1 0 313.397 3.321 20 10 DGCDRO COc1cccc2[nH]cc(C[N@@H+]3CCc4cccc(O)c4C3)c21 ZINC001232038849 1097923346 /nfs/dbraw/zinc/92/33/46/1097923346.db2.gz QNAZBASVSLCWSD-UHFFFAOYSA-N 1 0 308.381 3.440 20 10 DGCDRO Clc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232195835 1097962627 /nfs/dbraw/zinc/96/26/27/1097962627.db2.gz ZEGAYLUMWPGLTQ-IYBDPMFKSA-N 1 0 320.864 3.409 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(Cl)c(O)cc1O ZINC001232262746 1097984744 /nfs/dbraw/zinc/98/47/44/1097984744.db2.gz OKNQDUGIHTXRKF-UHFFFAOYSA-N 1 0 307.777 3.479 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2cc(Cl)c(O)cc2O)c1 ZINC001232261662 1097985127 /nfs/dbraw/zinc/98/51/27/1097985127.db2.gz LQUYQIOJULLXOL-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(OC(C)C)CC2)cc1Cl ZINC001232264090 1097986304 /nfs/dbraw/zinc/98/63/04/1097986304.db2.gz DWRVKKVRTNLMJJ-UHFFFAOYSA-N 1 0 313.825 3.444 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1Cl ZINC001232267127 1097986390 /nfs/dbraw/zinc/98/63/90/1097986390.db2.gz XJEBOQLFRMDNSO-MRXNPFEDSA-N 1 0 311.809 3.057 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(n3ccnc3)CC2)cc1Cl ZINC001232268033 1097988808 /nfs/dbraw/zinc/98/88/08/1097988808.db2.gz LITAZBOCLADCRZ-UHFFFAOYSA-N 1 0 321.808 3.088 20 10 DGCDRO Cc1nc(Br)ccc1C[N@@H+](C)Cc1ccccc1O ZINC001232325624 1098005106 /nfs/dbraw/zinc/00/51/06/1098005106.db2.gz XXOLSWIXTOZEDR-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](F)CC2)c2ccccc2n1C ZINC001232403133 1098029236 /nfs/dbraw/zinc/02/92/36/1098029236.db2.gz URXIORFVRUJZDF-ZDUSSCGKSA-N 1 0 318.392 3.289 20 10 DGCDRO COC(=O)c1c(C[NH+]2CC3(C2)CCCC3)c2ccccc2n1C ZINC001232403441 1098029693 /nfs/dbraw/zinc/02/96/93/1098029693.db2.gz YLFYPPMVEXTVRK-UHFFFAOYSA-N 1 0 312.413 3.341 20 10 DGCDRO COC(=O)c1cccc2c(C[N@H+](C)Cc3ccccc3O)c[nH]c21 ZINC001232709849 1098119167 /nfs/dbraw/zinc/11/91/67/1098119167.db2.gz GRUQKXHDWVIMBN-UHFFFAOYSA-N 1 0 324.380 3.292 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c(O)c1 ZINC001232839991 1098148805 /nfs/dbraw/zinc/14/88/05/1098148805.db2.gz ZKZPADLQERNUCX-GOSISDBHSA-N 1 0 311.429 3.060 20 10 DGCDRO CCCC[N@H+](C)Cc1ccc(I)cc1O ZINC001232973924 1098189581 /nfs/dbraw/zinc/18/95/81/1098189581.db2.gz FBTCRJCLQIMTMF-UHFFFAOYSA-N 1 0 319.186 3.229 20 10 DGCDRO CC[C@H](C)[N@H+](C)Cc1ccc(I)cc1O ZINC001232975821 1098191353 /nfs/dbraw/zinc/19/13/53/1098191353.db2.gz KJPHHPXXYLOXGR-VIFPVBQESA-N 1 0 319.186 3.227 20 10 DGCDRO C[N@H+](Cc1ccc(I)cc1O)C(C)(C)C ZINC001232978993 1098191512 /nfs/dbraw/zinc/19/15/12/1098191512.db2.gz PWGNVYFLDRMOMC-UHFFFAOYSA-N 1 0 319.186 3.227 20 10 DGCDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(O)c(O)c(O)c1 ZINC001233016774 1098203512 /nfs/dbraw/zinc/20/35/12/1098203512.db2.gz NZIPSCASWGOFML-UHFFFAOYSA-N 1 0 307.777 3.479 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCCCC2)cc1Br ZINC001233134675 1098234078 /nfs/dbraw/zinc/23/40/78/1098234078.db2.gz BESFHAQRXJORCV-UHFFFAOYSA-N 1 0 300.196 3.149 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1 ZINC001233284167 1098274161 /nfs/dbraw/zinc/27/41/61/1098274161.db2.gz KTKNGUKTZOQBRU-SFHVURJKSA-N 1 0 309.425 3.376 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC001233286123 1098274409 /nfs/dbraw/zinc/27/44/09/1098274409.db2.gz GOEAYACLMNECTD-INIZCTEOSA-N 1 0 314.433 3.118 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC001233286869 1098275921 /nfs/dbraw/zinc/27/59/21/1098275921.db2.gz MDFYVESMDLGQKG-UHFFFAOYSA-N 1 0 319.445 3.071 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC(N3CC(F)C3)CC2)c1 ZINC001233286558 1098276110 /nfs/dbraw/zinc/27/61/10/1098276110.db2.gz YVIRCCJZHNSRBM-UHFFFAOYSA-N 1 0 320.452 3.308 20 10 DGCDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(C(C)(C)C)ccc1O ZINC001233287183 1098276234 /nfs/dbraw/zinc/27/62/34/1098276234.db2.gz ZVLCTPMLTQGUEC-INIZCTEOSA-N 1 0 307.434 3.319 20 10 DGCDRO CC[N@H+](Cc1cccnc1)Cc1cc(Cl)cc(OC)c1O ZINC001233289630 1098278283 /nfs/dbraw/zinc/27/82/83/1098278283.db2.gz FDHFNIKKKUEXDC-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](CCCCCO)C(C)C)c1O ZINC001233290793 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CCC[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)OCC ZINC001179247740 1099045708 /nfs/dbraw/zinc/04/57/08/1099045708.db2.gz KHXOMISCKTYURU-CYBMUJFWSA-N 1 0 300.393 3.326 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1C ZINC001179352532 1099065995 /nfs/dbraw/zinc/06/59/95/1099065995.db2.gz FPMVMSNSMHCHFZ-FYAJOAKPSA-N 1 0 301.430 3.297 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001235673958 1099118411 /nfs/dbraw/zinc/11/84/11/1099118411.db2.gz BYPQSVDCVWBFNU-OAHLLOKOSA-N 1 0 317.351 3.189 20 10 DGCDRO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001235678412 1099121661 /nfs/dbraw/zinc/12/16/61/1099121661.db2.gz HQTZWSLYADYQPM-SJPCQFCGSA-N 1 0 319.445 3.068 20 10 DGCDRO C[N@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001235679211 1099122184 /nfs/dbraw/zinc/12/21/84/1099122184.db2.gz DNFVHVZTGFPWEW-MRXNPFEDSA-N 1 0 319.445 3.417 20 10 DGCDRO COC(=O)C1(C)CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235681656 1099123692 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COCCCN(Cc1ccc(C(C)C)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235807935 1099189752 /nfs/dbraw/zinc/18/97/52/1099189752.db2.gz ABAFXHQJMTWAMV-GOSISDBHSA-N 1 0 320.477 3.106 20 10 DGCDRO Oc1ccccc1CN1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC001235810138 1099191108 /nfs/dbraw/zinc/19/11/08/1099191108.db2.gz GADDQYPFCWUNJZ-INIZCTEOSA-N 1 0 302.805 3.192 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235860230 1099221209 /nfs/dbraw/zinc/22/12/09/1099221209.db2.gz RSZWJJSOSZZIND-INIZCTEOSA-N 1 0 302.805 3.192 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235863527 1099224782 /nfs/dbraw/zinc/22/47/82/1099224782.db2.gz DXJMPJISEADNGE-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO C[C@H]1C[C@H]([NH3+])CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001236049582 1099352382 /nfs/dbraw/zinc/35/23/82/1099352382.db2.gz FXCVZZZWRCIVTC-UGSOOPFHSA-N 1 0 314.404 3.367 20 10 DGCDRO Oc1cc2c(cc1O)CN(CCC[NH2+]C1CCCCC1)CCC2 ZINC001236101101 1099389823 /nfs/dbraw/zinc/38/98/23/1099389823.db2.gz UQBKUKLVEYZIPW-UHFFFAOYSA-N 1 0 318.461 3.158 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC001236127110 1099416145 /nfs/dbraw/zinc/41/61/45/1099416145.db2.gz YMIIISGLJUGWHX-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236132727 1099420304 /nfs/dbraw/zinc/42/03/04/1099420304.db2.gz MFTVYJTWPKTKNM-LLVKDONJSA-N 1 0 303.233 3.273 20 10 DGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1c(O)ccc(Cl)c1Cl ZINC001236136069 1099423367 /nfs/dbraw/zinc/42/33/67/1099423367.db2.gz VEEFBVVZXZUCRH-SNVBAGLBSA-N 1 0 303.233 3.273 20 10 DGCDRO CCCC[C@H]1CN(Cc2cc(F)c(Cl)cc2O)CC[NH2+]1 ZINC001236140293 1099426435 /nfs/dbraw/zinc/42/64/35/1099426435.db2.gz COUKOEGPUSXXEX-LBPRGKRZSA-N 1 0 300.805 3.149 20 10 DGCDRO CCCC[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)CC[NH2+]1 ZINC001236140291 1099426543 /nfs/dbraw/zinc/42/65/43/1099426543.db2.gz COUKOEGPUSXXEX-GFCCVEGCSA-N 1 0 300.805 3.149 20 10 DGCDRO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001236144797 1099431220 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C[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236763383 1099773839 /nfs/dbraw/zinc/77/38/39/1099773839.db2.gz YMQKUDDDHBNDNO-SECBINFHSA-N 1 0 300.196 3.235 20 10 DGCDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236763476 1099773931 /nfs/dbraw/zinc/77/39/31/1099773931.db2.gz ACMGXISXIIUZES-NXEZZACHSA-N 1 0 314.223 3.338 20 10 DGCDRO Oc1cc(C[NH+]2CCCCCC2)c(O)cc1Br ZINC001236772761 1099778879 /nfs/dbraw/zinc/77/88/79/1099778879.db2.gz JURMGEIHZQHRCR-UHFFFAOYSA-N 1 0 300.196 3.236 20 10 DGCDRO CCC[N@H+](Cc1ccc(CC)cc1O)C1CCN(C(C)=O)CC1 ZINC001236786395 1099783593 /nfs/dbraw/zinc/78/35/93/1099783593.db2.gz AYNAXQIGVUNVKP-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(CC)cc2O)C[C@H]1C ZINC001236786726 1099783936 /nfs/dbraw/zinc/78/39/36/1099783936.db2.gz FAWRIPOIGATPCJ-GDBMZVCRSA-N 1 0 319.445 3.366 20 10 DGCDRO CCc1ccc(CN2CCCC[C@H]2C[NH+]2CCCC2)c(O)c1 ZINC001236788536 1099784689 /nfs/dbraw/zinc/78/46/89/1099784689.db2.gz KYXBUUDSYRPZAJ-SFHVURJKSA-N 1 0 302.462 3.405 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)c(O)c1 ZINC001236793526 1099788833 /nfs/dbraw/zinc/78/88/33/1099788833.db2.gz XWIOEMDGUPHQAG-FQEVSTJZSA-N 1 0 322.452 3.370 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c(Cl)c1 ZINC001236796956 1099790984 /nfs/dbraw/zinc/79/09/84/1099790984.db2.gz AMDGVLAMVIUVKP-MEDUHNTESA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC3(CCOC3)CC2)c(Cl)c1 ZINC001236797562 1099791576 /nfs/dbraw/zinc/79/15/76/1099791576.db2.gz GPEOMPQZHOEOCM-UHFFFAOYSA-N 1 0 311.809 3.057 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC001236798901 1099794075 /nfs/dbraw/zinc/79/40/75/1099794075.db2.gz JKOSJVXMDXLRSR-CYBMUJFWSA-N 1 0 318.804 3.439 20 10 DGCDRO CCOCC1CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236800782 1099794918 /nfs/dbraw/zinc/79/49/18/1099794918.db2.gz BDGJJPDLAAIEBX-UHFFFAOYSA-N 1 0 313.825 3.303 20 10 DGCDRO COc1cc(O)c(CN2CCC([N@H+](C)C3CC3)CC2)c(Cl)c1 ZINC001236807754 1099798958 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Oc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001236832643 1099818186 /nfs/dbraw/zinc/81/81/86/1099818186.db2.gz JQIDUFHKJMSPAM-IYBDPMFKSA-N 1 0 319.351 3.259 20 10 DGCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3cc4ccccc4cc3O)C2)O1 ZINC001236834681 1099821750 /nfs/dbraw/zinc/82/17/50/1099821750.db2.gz BBQDBYOFAZOUPT-IBGZPJMESA-N 1 0 311.381 3.217 20 10 DGCDRO CCC[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236843272 1099829599 /nfs/dbraw/zinc/82/95/99/1099829599.db2.gz MPWHWPYYUQBRDD-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(N)cc2)c1 ZINC001236848118 1099831660 /nfs/dbraw/zinc/83/16/60/1099831660.db2.gz MVEKBSXXGGRUJV-GOSISDBHSA-N 1 0 310.397 3.393 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@](C)(C[NH3+])C2)c(OC)c1 ZINC001237056744 1099947737 /nfs/dbraw/zinc/94/77/37/1099947737.db2.gz JJAWMIKKKDZEKR-LJQANCHMSA-N 1 0 319.493 3.102 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(Br)c1 ZINC001237072840 1099955977 /nfs/dbraw/zinc/95/59/77/1099955977.db2.gz LGEVGLFKSRXJTJ-VHSXEESVSA-N 1 0 312.207 3.148 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001237080353 1099959633 /nfs/dbraw/zinc/95/96/33/1099959633.db2.gz AQKFMMVRYQGYMP-NSHDSACASA-N 1 0 315.244 3.369 20 10 DGCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237084183 1099960794 /nfs/dbraw/zinc/96/07/94/1099960794.db2.gz HVNOGCQUHWSNOG-MEBBXXQBSA-N 1 0 315.244 3.083 20 10 DGCDRO Oc1ccc2c(c1)CCN(Cc1c(O)ccc(F)c1Cl)C2 ZINC001237122922 1099981840 /nfs/dbraw/zinc/98/18/40/1099981840.db2.gz FPCSFLVTYIIKEF-UHFFFAOYSA-N 1 0 307.752 3.449 20 10 DGCDRO C[N@H+](Cc1cc(C(F)(F)F)ccc1O)[C@H]1CC[C@H](O)CC1 ZINC001237138158 1099988510 /nfs/dbraw/zinc/98/85/10/1099988510.db2.gz UNAFSFOGLLXIQT-JOCQHMNTSA-N 1 0 303.324 3.146 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1C[NH+]1CC2(C1)CCOCC2 ZINC001237139873 1099988681 /nfs/dbraw/zinc/98/86/81/1099988681.db2.gz QJCZVHUOKQQOOR-UHFFFAOYSA-N 1 0 301.308 3.023 20 10 DGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237138872 1099988914 /nfs/dbraw/zinc/98/89/14/1099988914.db2.gz ZPIVNYXHOCOQHB-ZDUSSCGKSA-N 1 0 303.324 3.412 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@H]1O ZINC001237138151 1099989375 /nfs/dbraw/zinc/98/93/75/1099989375.db2.gz UGJHXSUKRYAUTN-ZWNOBZJWSA-N 1 0 303.324 3.004 20 10 DGCDRO CCCO[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138443 1099989874 /nfs/dbraw/zinc/98/98/74/1099989874.db2.gz DAOKADJDKWICHB-ZDUSSCGKSA-N 1 0 303.324 3.412 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1C[NH+]1CCC2(CCO2)CC1 ZINC001237141683 1099991649 /nfs/dbraw/zinc/99/16/49/1099991649.db2.gz ZLMKZVSXLHRMEE-UHFFFAOYSA-N 1 0 301.308 3.166 20 10 DGCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(C)cccc1O)C2 ZINC001237485360 1100139742 /nfs/dbraw/zinc/13/97/42/1100139742.db2.gz HRYCTIWYYLSGOU-APWZRJJASA-N 1 0 319.445 3.108 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001237484544 1100139814 /nfs/dbraw/zinc/13/98/14/1100139814.db2.gz DWUVHVOEWAVZTR-AWEZNQCLSA-N 1 0 320.433 3.142 20 10 DGCDRO CC[C@@H]1[N@H+](Cc2c(C)cccc2O)CCC[C@]12CCC(=O)N2C ZINC001237487795 1100141505 /nfs/dbraw/zinc/14/15/05/1100141505.db2.gz DJMPRAGJKPQPOO-HKUYNNGSSA-N 1 0 316.445 3.066 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001237489909 1100141622 /nfs/dbraw/zinc/14/16/22/1100141622.db2.gz NUIFADJCECBBIA-UHFFFAOYSA-N 1 0 315.388 3.323 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001237490337 1100141630 /nfs/dbraw/zinc/14/16/30/1100141630.db2.gz SXOHNVJFFJXMPS-QGZVFWFLSA-N 1 0 310.441 3.407 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001237490334 1100141957 /nfs/dbraw/zinc/14/19/57/1100141957.db2.gz SXOHNVJFFJXMPS-KRWDZBQOSA-N 1 0 310.441 3.407 20 10 DGCDRO Cc1cccc(O)c1CN1CC[C@@H](N2CCCCC2)C(F)(F)C1 ZINC001237495730 1100145454 /nfs/dbraw/zinc/14/54/54/1100145454.db2.gz UWERWZTVTYHCAN-QGZVFWFLSA-N 1 0 324.415 3.396 20 10 DGCDRO CN(C)CC[N@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237641313 1100199091 /nfs/dbraw/zinc/19/90/91/1100199091.db2.gz RJXNZJJCABWIMH-UHFFFAOYSA-N 1 0 302.393 3.192 20 10 DGCDRO OC[C@H]1CCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237640949 1100199678 /nfs/dbraw/zinc/19/96/78/1100199678.db2.gz IKZLLXAZCQRZCJ-QGZVFWFLSA-N 1 0 301.361 3.155 20 10 DGCDRO C[NH+](C)C1(C)CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237647167 1100202296 /nfs/dbraw/zinc/20/22/96/1100202296.db2.gz RUDSPGIZDGXTGG-UHFFFAOYSA-N 1 0 314.404 3.334 20 10 DGCDRO COc1cc(C[N@@H+]2CCc3c(C)cccc3C2)c(O)c(OC)c1 ZINC001237675395 1100210169 /nfs/dbraw/zinc/21/01/69/1100210169.db2.gz XBDKMIXPJHLGDK-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cccc(C)c2)c(O)c(OC)c1 ZINC001237675332 1100211014 /nfs/dbraw/zinc/21/10/14/1100211014.db2.gz WCLRMESIEVUXJU-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(O)c(OC)c1 ZINC001237677104 1100212322 /nfs/dbraw/zinc/21/23/22/1100212322.db2.gz XCZXHEAQBUOENU-MRXNPFEDSA-N 1 0 314.385 3.142 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC001237678080 1100212337 /nfs/dbraw/zinc/21/23/37/1100212337.db2.gz RWBPOWLMBKLWKS-LLVKDONJSA-N 1 0 314.223 3.074 20 10 DGCDRO COc1cc(C[N@H+](C)CCCc2ccccc2)c(O)c(OC)c1 ZINC001237676845 1100212442 /nfs/dbraw/zinc/21/24/42/1100212442.db2.gz REASUVDRAUTWDS-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c1O ZINC001237685186 1100213980 /nfs/dbraw/zinc/21/39/80/1100213980.db2.gz FHOCJOCNMRFWFA-CQSZACIVSA-N 1 0 313.800 3.447 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237688088 1100215055 /nfs/dbraw/zinc/21/50/55/1100215055.db2.gz DVBAQWAGJSCWPQ-LBPRGKRZSA-N 1 0 311.809 3.129 20 10 DGCDRO CC(C)[N@@H+]1CCN(Cc2cc(F)c(Cl)cc2O)C[C@@H]1C ZINC001237944419 1100298756 /nfs/dbraw/zinc/29/87/56/1100298756.db2.gz TYMNDZFJXFKVTN-NSHDSACASA-N 1 0 300.805 3.099 20 10 DGCDRO CCN(CC[NH+]1CCCCC1)Cc1cc(F)c(Cl)cc1O ZINC001237949258 1100301262 /nfs/dbraw/zinc/30/12/62/1100301262.db2.gz JCEKPXOJAVVBFM-UHFFFAOYSA-N 1 0 314.832 3.493 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+](C)CCc2noc(C(C)C)n2)c1O ZINC001238060133 1100346856 /nfs/dbraw/zinc/34/68/56/1100346856.db2.gz FNRDZAJUADTBSB-UHFFFAOYSA-N 1 0 307.369 3.021 20 10 DGCDRO CCc1noc(C2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)n1 ZINC001238068927 1100347996 /nfs/dbraw/zinc/34/79/96/1100347996.db2.gz GZOAUFZJBCFQGL-UHFFFAOYSA-N 1 0 319.380 3.165 20 10 DGCDRO Cc1cc(F)cc(CN2CCC([NH+]3CCC(F)CC3)CC2)c1O ZINC001238071052 1100350190 /nfs/dbraw/zinc/35/01/90/1100350190.db2.gz RGWGGXYFBXMVOQ-UHFFFAOYSA-N 1 0 324.415 3.238 20 10 DGCDRO CCC(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CCCC1 ZINC001278216797 1100414364 /nfs/dbraw/zinc/41/43/64/1100414364.db2.gz QAZRMTKSXRDXPR-QGZVFWFLSA-N 1 0 318.461 3.178 20 10 DGCDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001195877360 1101216580 /nfs/dbraw/zinc/21/65/80/1101216580.db2.gz WFYPKRUEPVFYGH-RHSMWYFYSA-N 1 0 318.461 3.447 20 10 DGCDRO Cn1ccc2c1cccc2-c1cncc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC001241822402 1101727829 /nfs/dbraw/zinc/72/78/29/1101727829.db2.gz TUZFCPVTNAXZEP-QGZVFWFLSA-N 1 0 318.424 3.445 20 10 DGCDRO Cn1ccc2c1cccc2-c1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1 ZINC001241821900 1101728526 /nfs/dbraw/zinc/72/85/26/1101728526.db2.gz OPZKXEJRTGLYKP-INIZCTEOSA-N 1 0 317.396 3.313 20 10 DGCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cnc(N)cc2C)n1C ZINC001242072816 1101892921 /nfs/dbraw/zinc/89/29/21/1101892921.db2.gz QXGDQHZWYXKSBH-UHFFFAOYSA-N 1 0 324.384 3.011 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2Cc2ccnn2C)ccc1N(C)C ZINC001198820867 1101996341 /nfs/dbraw/zinc/99/63/41/1101996341.db2.gz MPAYFAMZHVLBQM-SFHVURJKSA-N 1 0 312.461 3.002 20 10 DGCDRO O=C(Nc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1)C1CC1 ZINC001199077627 1102059436 /nfs/dbraw/zinc/05/94/36/1102059436.db2.gz LAAGSYVYMLBFDW-UHFFFAOYSA-N 1 0 322.408 3.260 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@](O)(CF)C2)cc1 ZINC001203936092 1102153187 /nfs/dbraw/zinc/15/31/87/1102153187.db2.gz ITNWTOYLFNMUSZ-SFHVURJKSA-N 1 0 308.441 3.219 20 10 DGCDRO C[C@H](COc1ccccc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001199812002 1102219553 /nfs/dbraw/zinc/21/95/53/1102219553.db2.gz GFMDLTPGOQRHLR-CQSZACIVSA-N 1 0 302.393 3.449 20 10 DGCDRO Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)n1 ZINC001201573242 1102658095 /nfs/dbraw/zinc/65/80/95/1102658095.db2.gz PRFYFAUQIFVVFV-UHFFFAOYSA-N 1 0 310.445 3.062 20 10 DGCDRO CCCCC[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001201737505 1102709082 /nfs/dbraw/zinc/70/90/82/1102709082.db2.gz QWXMYBOHGWONNP-UHFFFAOYSA-N 1 0 306.450 3.024 20 10 DGCDRO CCOCc1cc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)ccc1OC ZINC001201832758 1102741249 /nfs/dbraw/zinc/74/12/49/1102741249.db2.gz FVELGMITZGXJQL-ZIAGYGMSSA-N 1 0 307.434 3.277 20 10 DGCDRO FC(F)(F)Oc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001201952013 1102770173 /nfs/dbraw/zinc/77/01/73/1102770173.db2.gz FAIQCSKIIBMIPL-UHFFFAOYSA-N 1 0 300.324 3.117 20 10 DGCDRO COCCOc1ccc(N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001202096237 1102828619 /nfs/dbraw/zinc/82/86/19/1102828619.db2.gz MDNKXEAIFIBXSI-UHFFFAOYSA-N 1 0 320.477 3.270 20 10 DGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2c(O)cccc2Br)[C@@H](C)O1 ZINC000686508363 1103048438 /nfs/dbraw/zinc/04/84/38/1103048438.db2.gz OPWAZFXGPXZZOC-GMTAPVOTSA-N 1 0 314.223 3.058 20 10 DGCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C12CCCC2 ZINC001326327287 1103273745 /nfs/dbraw/zinc/27/37/45/1103273745.db2.gz OSNIKMWJTLVMSO-GOSISDBHSA-N 1 0 300.446 3.166 20 10 DGCDRO COC(=O)C[N@@H+](Cc1ccc2ccccc2c1O)CC(C)C ZINC001326327785 1103275023 /nfs/dbraw/zinc/27/50/23/1103275023.db2.gz ZZIWOUPNFIQSJY-UHFFFAOYSA-N 1 0 301.386 3.176 20 10 DGCDRO Cc1cc(CN2CC3(C2)CC[N@@H+](C)C3)c(C)n1-c1ccccc1 ZINC001276363062 1103539697 /nfs/dbraw/zinc/53/96/97/1103539697.db2.gz SVWUFCZGHVIDJS-UHFFFAOYSA-N 1 0 309.457 3.232 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001327263997 1103607101 /nfs/dbraw/zinc/60/71/01/1103607101.db2.gz NRICZDYLHXESRX-OXJNMPFZSA-N 1 0 310.441 3.499 20 10 DGCDRO CC(C)c1noc(CC[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC001327868833 1103748010 /nfs/dbraw/zinc/74/80/10/1103748010.db2.gz NGZOMJMJEJEBIE-UHFFFAOYSA-N 1 0 311.385 3.384 20 10 DGCDRO O[C@@H]1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001327951722 1103776555 /nfs/dbraw/zinc/77/65/55/1103776555.db2.gz JXWRJUZHIPHUPB-SLFFLAALSA-N 1 0 314.473 3.412 20 10 DGCDRO Cc1cccn2cc(CN3CCCc4cc(C[NH3+])ccc43)nc12 ZINC001328605671 1103996969 /nfs/dbraw/zinc/99/69/69/1103996969.db2.gz BRVOKPRAIKWTHE-UHFFFAOYSA-N 1 0 306.413 3.054 20 10 DGCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1c(O)cccc1Br ZINC001329139436 1104167666 /nfs/dbraw/zinc/16/76/66/1104167666.db2.gz DYIKRMDAYWPEFZ-WDEREUQCSA-N 1 0 316.239 3.041 20 10 DGCDRO CC[C@](C)(C[NH2+]Cc1ccc(Br)cc1O)OC ZINC000691393076 1104327152 /nfs/dbraw/zinc/32/71/52/1104327152.db2.gz QWZXHCAVTCJXEY-CYBMUJFWSA-N 1 0 302.212 3.059 20 10 DGCDRO CC(C)(C)C[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000691395516 1104327349 /nfs/dbraw/zinc/32/73/49/1104327349.db2.gz MUIXGWRYACLCQK-GFCCVEGCSA-N 1 0 316.239 3.041 20 10 DGCDRO CC(C)(C)C[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000691395517 1104327512 /nfs/dbraw/zinc/32/75/12/1104327512.db2.gz MUIXGWRYACLCQK-LBPRGKRZSA-N 1 0 316.239 3.041 20 10 DGCDRO Nc1ccc(C[NH2+][C@@H]2Cc3ccc(Br)cc3C2)cc1 ZINC001246175095 1104420428 /nfs/dbraw/zinc/42/04/28/1104420428.db2.gz XXDCPUMZMRIPIG-MRXNPFEDSA-N 1 0 317.230 3.288 20 10 DGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(OC)c(C)cc1O)C2 ZINC001330045440 1104463070 /nfs/dbraw/zinc/46/30/70/1104463070.db2.gz JRIQOGUERGZVMD-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)ccc1N1CCCCC1 ZINC001330597945 1104588802 /nfs/dbraw/zinc/58/88/02/1104588802.db2.gz HAKPUWGMPIUKIR-HXUWFJFHSA-N 1 0 314.473 3.332 20 10 DGCDRO Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)sc1C ZINC001330830963 1104657741 /nfs/dbraw/zinc/65/77/41/1104657741.db2.gz MFFFRLHWHRJDTJ-UHFFFAOYSA-N 1 0 316.474 3.124 20 10 DGCDRO CN(C)c1ccc(CN2CC3(C2)CC[N@H+](C)C3)c2ccccc21 ZINC001275938885 1104962414 /nfs/dbraw/zinc/96/24/14/1104962414.db2.gz 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DGCDRO C[C@H]([NH2+]C[C@H](O)CCOCc1ccccc1)c1ccccc1O ZINC001253295354 1105921238 /nfs/dbraw/zinc/92/12/38/1105921238.db2.gz YXPCELQOIFNYBM-DOTOQJQBSA-N 1 0 315.413 3.011 20 10 DGCDRO C[C@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCO[C@@H]1C1CC1 ZINC001254572779 1106106769 /nfs/dbraw/zinc/10/67/69/1106106769.db2.gz CNZWJWOWAJKIFO-MOPGFXCFSA-N 1 0 300.446 3.334 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)o1 ZINC001254721237 1106135889 /nfs/dbraw/zinc/13/58/89/1106135889.db2.gz NSSATHVQQVKPNZ-CORIIIEPSA-N 1 0 301.386 3.474 20 10 DGCDRO CCc1nnc([C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)[nH]1 ZINC001254728942 1106136438 /nfs/dbraw/zinc/13/64/38/1106136438.db2.gz AIJDFSPXADFSHV-SDDRHHMPSA-N 1 0 300.406 3.280 20 10 DGCDRO O=C1C[C@H]2C[C@H]([NH2+]Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC001254929753 1106156410 /nfs/dbraw/zinc/15/64/10/1106156410.db2.gz XQBZBWZMVJRPAC-IWIIMEHWSA-N 1 0 324.218 3.002 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254955179 1106159713 /nfs/dbraw/zinc/15/97/13/1106159713.db2.gz XOQMSPVTFYHMBX-IAGOWNOFSA-N 1 0 312.457 3.476 20 10 DGCDRO CC(C)(C)[NH+]1CCC(N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001256575642 1106448477 /nfs/dbraw/zinc/44/84/77/1106448477.db2.gz SVMHBKQFPSUMPC-UHFFFAOYSA-N 1 0 318.461 3.109 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)C1CCC(CC(=O)OC)CC1 ZINC001256988824 1106521925 /nfs/dbraw/zinc/52/19/25/1106521925.db2.gz LDHAYBWBLFNNSX-UHFFFAOYSA-N 1 0 305.418 3.336 20 10 DGCDRO CCOC(=O)CC[C@H](C)[NH2+]Cc1cc2ccccc2cc1O ZINC001258483367 1106773982 /nfs/dbraw/zinc/77/39/82/1106773982.db2.gz GBQJSLIXYYTGJM-ZDUSSCGKSA-N 1 0 301.386 3.367 20 10 DGCDRO CCOC(=O)CC[C@H](C)[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001258502544 1106782207 /nfs/dbraw/zinc/78/22/07/1106782207.db2.gz JXJLVTLMESNHQS-HNNXBMFYSA-N 1 0 306.450 3.306 20 10 DGCDRO CCC[C@@H](Cc1ccccc1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258652530 1106882712 /nfs/dbraw/zinc/88/27/12/1106882712.db2.gz XTXWWOFUURWUPR-INIZCTEOSA-N 1 0 313.397 3.282 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC001320130702 1106891101 /nfs/dbraw/zinc/89/11/01/1106891101.db2.gz AXVXCIXOBXBGKV-BKEDOTJMSA-N 1 0 317.429 3.177 20 10 DGCDRO COC1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001320253304 1106938058 /nfs/dbraw/zinc/93/80/58/1106938058.db2.gz TWKODAHELHLFIB-KBPBESRZSA-N 1 0 305.418 3.034 20 10 DGCDRO COC1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001320253305 1106939310 /nfs/dbraw/zinc/93/93/10/1106939310.db2.gz TWKODAHELHLFIB-KGLIPLIRSA-N 1 0 305.418 3.034 20 10 DGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320422153 1107000433 /nfs/dbraw/zinc/00/04/33/1107000433.db2.gz BPIVKUYZBMAGMG-QAPCUYQASA-N 1 0 319.468 3.198 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCc1cccc(C(N)=O)c1 ZINC001320419355 1107000533 /nfs/dbraw/zinc/00/05/33/1107000533.db2.gz DUBXTSMVOXATJS-CZUORRHYSA-N 1 0 324.424 3.180 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H](C)c3ccccn3)CC2)cc1 ZINC001320578764 1107060099 /nfs/dbraw/zinc/06/00/99/1107060099.db2.gz PWHXAWSBBDXQEQ-MRXNPFEDSA-N 1 0 311.429 3.364 20 10 DGCDRO CO[C@@H](CC[NH2+]Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001320621384 1107076084 /nfs/dbraw/zinc/07/60/84/1107076084.db2.gz QFDMKFCUOIVVKF-HNNXBMFYSA-N 1 0 316.367 3.344 20 10 DGCDRO CC1=C(C)C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001321091546 1107246065 /nfs/dbraw/zinc/24/60/65/1107246065.db2.gz YOPPNYSOSFZWLZ-UHFFFAOYSA-N 1 0 317.452 3.120 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)C)cc1C ZINC001317412653 1107333895 /nfs/dbraw/zinc/33/38/95/1107333895.db2.gz NUKSRDCXAVBXMS-AWEZNQCLSA-N 1 0 306.450 3.034 20 10 DGCDRO C[NH2+][C@H](C)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001261461490 1107441448 /nfs/dbraw/zinc/44/14/48/1107441448.db2.gz NGAPKLWSOZHJPH-CQSZACIVSA-N 1 0 313.445 3.130 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001321865801 1107453241 /nfs/dbraw/zinc/45/32/41/1107453241.db2.gz ABQBGYKHNXUXOG-QZTJIDSGSA-N 1 0 316.445 3.108 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](CCCO)C2)c(O)c(C(C)(C)C)c1 ZINC001261677616 1107505244 /nfs/dbraw/zinc/50/52/44/1107505244.db2.gz WXEFOISMMUSLPO-AWEZNQCLSA-N 1 0 321.461 3.293 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001262012426 1107573894 /nfs/dbraw/zinc/57/38/94/1107573894.db2.gz VXEVLWLUMDOKHX-SJORKVTESA-N 1 0 302.487 3.472 20 10 DGCDRO COc1ccc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c(O)c1OC ZINC001262357186 1107687545 /nfs/dbraw/zinc/68/75/45/1107687545.db2.gz BSCHMLKRCRXYGM-OLZOCXBDSA-N 1 0 311.447 3.125 20 10 DGCDRO c1ccc2c(c1)CCN2CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001318339954 1107950531 /nfs/dbraw/zinc/95/05/31/1107950531.db2.gz CXBSGKFPUIURCS-UHFFFAOYSA-N 1 0 321.468 3.439 20 10 DGCDRO CC[C@H](CNC(=O)[C@@H](C)CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318503128 1108066719 /nfs/dbraw/zinc/06/67/19/1108066719.db2.gz OHJNFAIXIUSEJY-XJKSGUPXSA-N 1 0 306.450 3.034 20 10 DGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001323890481 1108115775 /nfs/dbraw/zinc/11/57/75/1108115775.db2.gz FHFIRGNMWOPTIO-QGZVFWFLSA-N 1 0 303.494 3.497 20 10 DGCDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC001324621893 1108378359 /nfs/dbraw/zinc/37/83/59/1108378359.db2.gz DKJPTOQLIKSPPJ-IBGZPJMESA-N 1 0 310.445 3.239 20 10 DGCDRO C[C@H]([N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C ZINC001324725237 1108443259 /nfs/dbraw/zinc/44/32/59/1108443259.db2.gz RNQDUQQRTOGRNL-HNNXBMFYSA-N 1 0 321.484 3.444 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)C2(C)CC2)C(C)C)cc1C ZINC001319917406 1108693993 /nfs/dbraw/zinc/69/39/93/1108693993.db2.gz RUGCDZNQPHFDEC-MRXNPFEDSA-N 1 0 318.461 3.034 20 10 DGCDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001319947492 1108708691 /nfs/dbraw/zinc/70/86/91/1108708691.db2.gz UEDXUDOUTXWNFG-CYBMUJFWSA-N 1 0 319.836 3.234 20 10 DGCDRO C[N@H+](Cc1ccc(-c2ccccn2)nc1)Cc1ccccc1O ZINC001307537737 1111312977 /nfs/dbraw/zinc/31/29/77/1111312977.db2.gz IYLHHEXAPJUXTH-UHFFFAOYSA-N 1 0 305.381 3.481 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cnn4ccccc34)ccc21 ZINC001308229660 1111401542 /nfs/dbraw/zinc/40/15/42/1111401542.db2.gz HFUWKLNACCKZJH-UHFFFAOYSA-N 1 0 306.413 3.007 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCCCS2)cc1F ZINC001308342522 1111419147 /nfs/dbraw/zinc/41/91/47/1111419147.db2.gz IKBYGNLPFHWGDP-GFCCVEGCSA-N 1 0 300.418 3.406 20 10 DGCDRO OCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001308359634 1111420783 /nfs/dbraw/zinc/42/07/83/1111420783.db2.gz HGVOJSIWYYAKOL-GOSISDBHSA-N 1 0 303.446 3.433 20 10 DGCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308373808 1111422913 /nfs/dbraw/zinc/42/29/13/1111422913.db2.gz KNJOEJBBHQDEIM-LJQANCHMSA-N 1 0 311.425 3.013 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001308372620 1111423230 /nfs/dbraw/zinc/42/32/30/1111423230.db2.gz NNDHEQXICLAJIJ-LJQANCHMSA-N 1 0 311.425 3.013 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(OC(C)C)CCOC2)cc1 ZINC001308531336 1111438877 /nfs/dbraw/zinc/43/88/77/1111438877.db2.gz TWMHYRFZPDWPMM-LJQANCHMSA-N 1 0 320.477 3.207 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2(C)CCC3(CC2)OCCO3)cc1F ZINC001308549548 1111441415 /nfs/dbraw/zinc/44/14/15/1111441415.db2.gz ZFVZMGXPLHPQGE-UHFFFAOYSA-N 1 0 322.424 3.057 20 10 DGCDRO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(Cl)cc1O ZINC001308576694 1111446407 /nfs/dbraw/zinc/44/64/07/1111446407.db2.gz QTTICMYFMGBNQO-INIZCTEOSA-N 1 0 303.789 3.137 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c(O)c1 ZINC001308578632 1111447483 /nfs/dbraw/zinc/44/74/83/1111447483.db2.gz QGDBRIHCQLLCHA-INIZCTEOSA-N 1 0 318.461 3.160 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c(O)c1 ZINC001308638761 1111454409 /nfs/dbraw/zinc/45/44/09/1111454409.db2.gz IWPDTQFPVDNCKA-ZBFHGGJFSA-N 1 0 307.434 3.393 20 10 DGCDRO COC(=O)c1c(C[NH2+][C@@H]2CCC2(C)C)c2cc(F)ccc2n1C ZINC001308749963 1111470012 /nfs/dbraw/zinc/47/00/12/1111470012.db2.gz XKOPPCRZNDWDLD-OAHLLOKOSA-N 1 0 318.392 3.382 20 10 DGCDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001308764679 1111472006 /nfs/dbraw/zinc/47/20/06/1111472006.db2.gz CRLSDWWHAQBFFA-GFCCVEGCSA-N 1 0 318.383 3.364 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC001308766504 1111472285 /nfs/dbraw/zinc/47/22/85/1111472285.db2.gz NOVVHDBKCFLBNJ-UHFFFAOYSA-N 1 0 313.731 3.492 20 10 DGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1cccnc1 ZINC001308785090 1111475113 /nfs/dbraw/zinc/47/51/13/1111475113.db2.gz PLSPTALOMDRTQB-INIZCTEOSA-N 1 0 320.820 3.290 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c(O)c1 ZINC001308938648 1111496363 /nfs/dbraw/zinc/49/63/63/1111496363.db2.gz OVNZYFIUFHDECJ-OXJNMPFZSA-N 1 0 309.409 3.483 20 10 DGCDRO CC(C)(C)OC(=O)C1CC([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC001621420284 1193841571 /nfs/dbraw/zinc/84/15/71/1193841571.db2.gz LGFHEBPVKNAUSA-UHFFFAOYSA-N 1 0 311.809 3.256 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 ZINC000376803165 529585507 /nfs/dbraw/zinc/58/55/07/529585507.db2.gz DXMYGNGLZKCAGS-OALUTQOASA-N 1 0 318.461 3.211 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(OC)c(O)c2)c1O ZINC000092404968 185316310 /nfs/dbraw/zinc/31/63/10/185316310.db2.gz LCWRBJCNRAZFBW-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO Cc1ncsc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160201675 282232914 /nfs/dbraw/zinc/23/29/14/282232914.db2.gz AKAIBKJJJYGGQY-OAHLLOKOSA-N 1 0 318.442 3.338 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnn(C)c2)c1O ZINC000187048941 301070634 /nfs/dbraw/zinc/07/06/34/301070634.db2.gz CRYYYLWBQBSHLG-SNVBAGLBSA-N 1 0 324.222 3.047 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Cn1ccnc1 ZINC000067500812 432032473 /nfs/dbraw/zinc/03/24/73/432032473.db2.gz ZTTXHFFFSPYWHI-KRWDZBQOSA-N 1 0 312.461 3.299 20 10 DGCDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccccc1O ZINC000179585175 432063846 /nfs/dbraw/zinc/06/38/46/432063846.db2.gz PISXLGGYPIOIFG-LRTDBIEQSA-N 1 0 303.427 3.323 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCC([NH+]3CCCC3)CC2)c1O ZINC000179670134 432066960 /nfs/dbraw/zinc/06/69/60/432066960.db2.gz PNPCLWKBGKMHLF-UHFFFAOYSA-N 1 0 308.853 3.414 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)CN(C)C)c1cc(Br)ccc1O ZINC000168598928 432070043 /nfs/dbraw/zinc/07/00/43/432070043.db2.gz XVRCAPRAPQONBH-GWCFXTLKSA-N 1 0 315.255 3.146 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCC2)cc1 ZINC000134647682 432082921 /nfs/dbraw/zinc/08/29/21/432082921.db2.gz HHABNARSKCUGAF-XYJFISCASA-N 1 0 300.446 3.265 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)cc(OC)c1OC ZINC000091974571 193134790 /nfs/dbraw/zinc/13/47/90/193134790.db2.gz TXNGZSBKQYJSQB-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCc3sccc31)OCO2 ZINC000061360343 184168940 /nfs/dbraw/zinc/16/89/40/184168940.db2.gz RBNJPBOPEWNCPT-LBPRGKRZSA-N 1 0 303.383 3.350 20 10 DGCDRO COCC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C)o1 ZINC000272210933 130007551 /nfs/dbraw/zinc/00/75/51/130007551.db2.gz CJRJVTDJHFDGOL-INIZCTEOSA-N 1 0 301.386 3.390 20 10 DGCDRO COc1cccc(N2CC[C@@H]([NH2+][C@H](C)c3ccccc3O)C2)c1 ZINC000272831030 130067354 /nfs/dbraw/zinc/06/73/54/130067354.db2.gz HXJTUFCFCCSTLC-HUUCEWRRSA-N 1 0 312.413 3.330 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cc(Br)ccc1O ZINC000273299358 130104945 /nfs/dbraw/zinc/10/49/45/130104945.db2.gz AYIBWQMUCMQIKO-PWSUYJOCSA-N 1 0 314.223 3.374 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cc(Br)ccc1O ZINC000273306023 130104962 /nfs/dbraw/zinc/10/49/62/130104962.db2.gz CTILWWTVYVPHIK-SNVBAGLBSA-N 1 0 315.255 3.146 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1O ZINC000273391145 130115409 /nfs/dbraw/zinc/11/54/09/130115409.db2.gz KSHUKPZTAWYEMM-GFCCVEGCSA-N 1 0 316.376 3.084 20 10 DGCDRO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000273568018 130138300 /nfs/dbraw/zinc/13/83/00/130138300.db2.gz KCELRNIEQZKVJA-VIFPVBQESA-N 1 0 310.747 3.190 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c(O)c1C ZINC000273570616 130138684 /nfs/dbraw/zinc/13/86/84/130138684.db2.gz KNELLEVKZBJYNB-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273617222 130145930 /nfs/dbraw/zinc/14/59/30/130145930.db2.gz XRINLYZMHAMTPS-KDOFPFPSSA-N 1 0 315.413 3.402 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1O ZINC000282660312 130934237 /nfs/dbraw/zinc/93/42/37/130934237.db2.gz LVMWIVFKCQBXTJ-MRXNPFEDSA-N 1 0 305.418 3.230 20 10 DGCDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000285533187 131178993 /nfs/dbraw/zinc/17/89/93/131178993.db2.gz PGGZAIBHSTUBAM-UHFFFAOYSA-N 1 0 312.369 3.090 20 10 DGCDRO Cc1cnn(C)c1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000286681020 131246656 /nfs/dbraw/zinc/24/66/56/131246656.db2.gz VOLRFASSOFCNQA-UHFFFAOYSA-N 1 0 312.461 3.255 20 10 DGCDRO C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1O ZINC000287136565 131265886 /nfs/dbraw/zinc/26/58/86/131265886.db2.gz RYJCBBNPAVCNFL-CXAGYDPISA-N 1 0 302.393 3.485 20 10 DGCDRO CC[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000287677340 131294490 /nfs/dbraw/zinc/29/44/90/131294490.db2.gz MLKVMVIBZGABNX-WFASDCNBSA-N 1 0 313.825 3.282 20 10 DGCDRO COc1cccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1O ZINC000288481054 131327426 /nfs/dbraw/zinc/32/74/26/131327426.db2.gz PVMYIDQXRKTEER-OAHLLOKOSA-N 1 0 321.804 3.268 20 10 DGCDRO OC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000289238478 131367579 /nfs/dbraw/zinc/36/75/79/131367579.db2.gz DLWJZXKUAABADK-MWLCHTKSSA-N 1 0 323.742 3.038 20 10 DGCDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)ccc1O ZINC000289563849 131396575 /nfs/dbraw/zinc/39/65/75/131396575.db2.gz RYMRLTGNKVUHFO-UHFFFAOYSA-N 1 0 304.321 3.114 20 10 DGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1O ZINC000289595996 131399545 /nfs/dbraw/zinc/39/95/45/131399545.db2.gz FRFTUHUZLQTAMK-GFCCVEGCSA-N 1 0 318.392 3.457 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000291027638 131537281 /nfs/dbraw/zinc/53/72/81/131537281.db2.gz IGTVAKHCFKHLHO-HNNXBMFYSA-N 1 0 314.404 3.456 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)c2ccccn2)c1 ZINC000294923851 131871138 /nfs/dbraw/zinc/87/11/38/131871138.db2.gz YYGPXVUEISZGMD-CYBMUJFWSA-N 1 0 300.402 3.424 20 10 DGCDRO COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297794789 132034791 /nfs/dbraw/zinc/03/47/91/132034791.db2.gz QBWDNFVCKAGABT-UKRRQHHQSA-N 1 0 313.397 3.445 20 10 DGCDRO CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000297839329 132036727 /nfs/dbraw/zinc/03/67/27/132036727.db2.gz SGLWEJCCPOGJLF-QGZVFWFLSA-N 1 0 310.397 3.170 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c(O)c1 ZINC000092073227 400153462 /nfs/dbraw/zinc/15/34/62/400153462.db2.gz RTRUQOYYWKWMAO-HNNXBMFYSA-N 1 0 315.417 3.284 20 10 DGCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000093360736 400242870 /nfs/dbraw/zinc/24/28/70/400242870.db2.gz QZNOKCZCGOQHLR-QGZVFWFLSA-N 1 0 324.424 3.017 20 10 DGCDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093482182 400247887 /nfs/dbraw/zinc/24/78/87/400247887.db2.gz HOWHNLDGQNAIKW-QFBILLFUSA-N 1 0 302.462 3.412 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000852634129 620636350 /nfs/dbraw/zinc/63/63/50/620636350.db2.gz KQBNJTHCRKNLIO-IAGOWNOFSA-N 1 0 300.446 3.144 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000270090841 432226804 /nfs/dbraw/zinc/22/68/04/432226804.db2.gz KRGGLWZNOGDDFQ-LRTDBIEQSA-N 1 0 303.427 3.289 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000179877822 228353306 /nfs/dbraw/zinc/35/33/06/228353306.db2.gz ZKLHYMDQEOGXBY-MAUKXSAKSA-N 1 0 324.424 3.234 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnccc1N(C)C ZINC000355120446 229303986 /nfs/dbraw/zinc/30/39/86/229303986.db2.gz JWGXWAVBHSZEMZ-UHFFFAOYSA-N 1 0 308.429 3.238 20 10 DGCDRO COc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)c1O ZINC000093478484 274146109 /nfs/dbraw/zinc/14/61/09/274146109.db2.gz OPGHFHXBRVQXMX-SFHVURJKSA-N 1 0 313.397 3.283 20 10 DGCDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280920539 274273939 /nfs/dbraw/zinc/27/39/39/274273939.db2.gz PPOLWYVQAKEGDH-NWDGAFQWSA-N 1 0 318.383 3.268 20 10 DGCDRO CC(=O)Nc1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000297839324 275491055 /nfs/dbraw/zinc/49/10/55/275491055.db2.gz SGLWEJCCPOGJLF-KRWDZBQOSA-N 1 0 310.397 3.170 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1O ZINC000289814583 276379473 /nfs/dbraw/zinc/37/94/73/276379473.db2.gz SZPQCVHWADAXMK-ZBFHGGJFSA-N 1 0 307.434 3.306 20 10 DGCDRO CCOc1cccc(CN2CCC[N@@H+](C3CCCC3)CC2)c1O ZINC000179770068 276379664 /nfs/dbraw/zinc/37/96/64/276379664.db2.gz PSTKXXZCOLFMMV-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1 ZINC000289914328 276883772 /nfs/dbraw/zinc/88/37/72/276883772.db2.gz RVBDFNOSNDGBPX-PMACEKPBSA-N 1 0 310.441 3.008 20 10 DGCDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000271534981 278175670 /nfs/dbraw/zinc/17/56/70/278175670.db2.gz SLKVFRGTBFXOKU-VVBPWWLESA-N 1 0 322.518 3.485 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnn(CC)c2)cc1F ZINC000112099243 431250179 /nfs/dbraw/zinc/25/01/79/431250179.db2.gz PGBVPLNRZNGDDG-UHFFFAOYSA-N 1 0 304.413 3.178 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)c1O ZINC000074336707 431414430 /nfs/dbraw/zinc/41/44/30/431414430.db2.gz JUPFBGZHBVOXRR-AWEZNQCLSA-N 1 0 320.458 3.245 20 10 DGCDRO COCCOC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000116868540 431536321 /nfs/dbraw/zinc/53/63/21/431536321.db2.gz KZODRSCZOOJWFG-UHFFFAOYSA-N 1 0 315.413 3.173 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000119660018 431713313 /nfs/dbraw/zinc/71/33/13/431713313.db2.gz GVDLYTHQAFXURI-OAHLLOKOSA-N 1 0 301.478 3.420 20 10 DGCDRO CCCCOCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000119632874 431713323 /nfs/dbraw/zinc/71/33/23/431713323.db2.gz HXOIDFPEBHDZHM-HNNXBMFYSA-N 1 0 324.440 3.130 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H](c2ccco2)N(C)C)c(O)c1 ZINC000101589050 431986292 /nfs/dbraw/zinc/98/62/92/431986292.db2.gz BRBKBMYOEZNMRX-MRXNPFEDSA-N 1 0 318.417 3.167 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccccc1O ZINC000183371544 432286284 /nfs/dbraw/zinc/28/62/84/432286284.db2.gz PBGGBFNWVPBAJG-SUMWQHHRSA-N 1 0 302.393 3.485 20 10 DGCDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccccc1O ZINC000183544318 432302112 /nfs/dbraw/zinc/30/21/12/432302112.db2.gz IVKJKFJGOTXFMM-AWEZNQCLSA-N 1 0 302.393 3.314 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000152308473 432321519 /nfs/dbraw/zinc/32/15/19/432321519.db2.gz WIOMOSBVIUSWJW-CVEARBPZSA-N 1 0 311.429 3.330 20 10 DGCDRO CCCOc1ccc(C[N@H+](C)CCc2ccncc2)c(O)c1 ZINC000183760152 432324452 /nfs/dbraw/zinc/32/44/52/432324452.db2.gz QQEYZLCCJWXWCC-UHFFFAOYSA-N 1 0 300.402 3.251 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC000248890277 432326774 /nfs/dbraw/zinc/32/67/74/432326774.db2.gz RYDHCBMZDNAAAC-FZMZJTMJSA-N 1 0 311.809 3.055 20 10 DGCDRO C[N@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1ccccc1O ZINC000271120243 432332501 /nfs/dbraw/zinc/33/25/01/432332501.db2.gz HGBHQNNTGGXGCZ-OAHLLOKOSA-N 1 0 304.415 3.332 20 10 DGCDRO CCC[C@H](CCO)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000152467254 432334645 /nfs/dbraw/zinc/33/46/45/432334645.db2.gz YFHDUFDYVMIOES-MRXNPFEDSA-N 1 0 320.477 3.052 20 10 DGCDRO CCC[N@H+](CC(=O)N1CCCC[C@@H]1C)Cc1ccccc1O ZINC000174371762 432341645 /nfs/dbraw/zinc/34/16/45/432341645.db2.gz FWGHMBSKRVDIAR-HNNXBMFYSA-N 1 0 304.434 3.005 20 10 DGCDRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccc1O ZINC000183600770 432306300 /nfs/dbraw/zinc/30/63/00/432306300.db2.gz WYAGCESEUGNMKP-INIZCTEOSA-N 1 0 318.461 3.078 20 10 DGCDRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccc1O ZINC000183600787 432306629 /nfs/dbraw/zinc/30/66/29/432306629.db2.gz WYAGCESEUGNMKP-MRXNPFEDSA-N 1 0 318.461 3.078 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)c1O ZINC000271331572 432375794 /nfs/dbraw/zinc/37/57/94/432375794.db2.gz FQGDJBSWUDWAKD-SGTLLEGYSA-N 1 0 319.376 3.406 20 10 DGCDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000174555663 432356825 /nfs/dbraw/zinc/35/68/25/432356825.db2.gz PUEFKOSQBWPIFG-SNVBAGLBSA-N 1 0 316.239 3.448 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1O ZINC000271952679 432431549 /nfs/dbraw/zinc/43/15/49/432431549.db2.gz DUPLMPYMSGRTRC-CVEARBPZSA-N 1 0 307.434 3.474 20 10 DGCDRO CCOCCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000184831080 432437709 /nfs/dbraw/zinc/43/77/09/432437709.db2.gz STIHBXCBPHPACI-SNVBAGLBSA-N 1 0 302.212 3.232 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc2c(cc1O)CCCC2 ZINC000184926937 432446059 /nfs/dbraw/zinc/44/60/59/432446059.db2.gz BJMXNCPDEXLUIF-ZDUSSCGKSA-N 1 0 324.424 3.221 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185030057 432459743 /nfs/dbraw/zinc/45/97/43/432459743.db2.gz VVXDRSYCOVVPHY-GFCCVEGCSA-N 1 0 312.841 3.345 20 10 DGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3cc[nH]c3)C2)cc1 ZINC000175714268 432458714 /nfs/dbraw/zinc/45/87/14/432458714.db2.gz XOVDQEJTOVZYIL-AWEZNQCLSA-N 1 0 321.371 3.375 20 10 DGCDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000271539106 432418757 /nfs/dbraw/zinc/41/87/57/432418757.db2.gz PFHBEBZOBYJCCA-FZKQIMNGSA-N 1 0 301.386 3.267 20 10 DGCDRO C[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(N(C)C)cc1 ZINC000271554740 432420855 /nfs/dbraw/zinc/42/08/55/432420855.db2.gz VMUHKGWXIOHKBN-CYBMUJFWSA-N 1 0 303.381 3.016 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC000271639931 432422977 /nfs/dbraw/zinc/42/29/77/432422977.db2.gz GTOFQBHOGQBTNR-LLVKDONJSA-N 1 0 302.330 3.160 20 10 DGCDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccccc2O)N(C)C)c1 ZINC000192865290 432423442 /nfs/dbraw/zinc/42/34/42/432423442.db2.gz WWAOJVLAYLKEOP-KSSFIOAISA-N 1 0 314.429 3.354 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000271762247 432425422 /nfs/dbraw/zinc/42/54/22/432425422.db2.gz FBGZHDQLBDKXAC-HZPDHXFCSA-N 1 0 301.386 3.382 20 10 DGCDRO C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000271832661 432426089 /nfs/dbraw/zinc/42/60/89/432426089.db2.gz OZNRPGNZJCNWPF-UHFFFAOYSA-N 1 0 301.217 3.051 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1O ZINC000193504275 432477438 /nfs/dbraw/zinc/47/74/38/432477438.db2.gz BQVGLWQCVIKKPR-OCCSQVGLSA-N 1 0 316.367 3.317 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193505549 432478135 /nfs/dbraw/zinc/47/81/35/432478135.db2.gz ABMCZOKPAXVSJV-STQMWFEESA-N 1 0 316.367 3.235 20 10 DGCDRO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000185474762 432503433 /nfs/dbraw/zinc/50/34/33/432503433.db2.gz HZMNNZPUTYDUSD-OVWNDWIMSA-N 1 0 303.855 3.243 20 10 DGCDRO COCCOCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153993970 432463491 /nfs/dbraw/zinc/46/34/91/432463491.db2.gz KNNCVRNZNMJFBI-OAHLLOKOSA-N 1 0 324.440 3.130 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)c(O)c1 ZINC000185091171 432465031 /nfs/dbraw/zinc/46/50/31/432465031.db2.gz UMPGZTZEARVSIM-CQSZACIVSA-N 1 0 304.434 3.190 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cc(Br)ccc1O ZINC000185089496 432465972 /nfs/dbraw/zinc/46/59/72/432465972.db2.gz XUBIHLFYQUGFLF-MNOVXSKESA-N 1 0 314.223 3.232 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1 ZINC000185111651 432466395 /nfs/dbraw/zinc/46/63/95/432466395.db2.gz WYXBPQCHMJNTDD-QGZVFWFLSA-N 1 0 305.805 3.351 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)c2ccccc2)c1 ZINC000185101891 432466623 /nfs/dbraw/zinc/46/66/23/432466623.db2.gz JBWVEXFXVSRCKB-SCLBCKFNSA-N 1 0 301.386 3.439 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CCO)c2ccco2)c1O ZINC000185125883 432469158 /nfs/dbraw/zinc/46/91/58/432469158.db2.gz FVVNGOGHSBKQEP-AWEZNQCLSA-N 1 0 323.776 3.055 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000186107661 432558635 /nfs/dbraw/zinc/55/86/35/432558635.db2.gz MQOVWCAXOIGXKO-NSHDSACASA-N 1 0 322.792 3.179 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1O ZINC000155543934 432560621 /nfs/dbraw/zinc/56/06/21/432560621.db2.gz DBEKLPZKDJECBU-AWEZNQCLSA-N 1 0 316.367 3.460 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)c1 ZINC000186157627 432562852 /nfs/dbraw/zinc/56/28/52/432562852.db2.gz NYSYMQMYMJXKDU-QWRGUYRKSA-N 1 0 304.390 3.460 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc(Cl)ccc1O ZINC000185652072 432520521 /nfs/dbraw/zinc/52/05/21/432520521.db2.gz PDDITKPBNFWYSS-GXTWGEPZSA-N 1 0 305.805 3.472 20 10 DGCDRO CCc1noc(CC)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185678532 432524617 /nfs/dbraw/zinc/52/46/17/432524617.db2.gz XIAVOULXFLWUTD-LLVKDONJSA-N 1 0 304.390 3.364 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccccc1O ZINC000272805510 432534487 /nfs/dbraw/zinc/53/44/87/432534487.db2.gz BZUTUJHKETZXOI-UKRRQHHQSA-N 1 0 303.377 3.033 20 10 DGCDRO CCNC(=O)c1ccc(C[NH2+][C@H](CC)c2ccccc2O)cc1 ZINC000155162037 432542232 /nfs/dbraw/zinc/54/22/32/432542232.db2.gz VNSGPCXUXSCGFJ-QGZVFWFLSA-N 1 0 312.413 3.383 20 10 DGCDRO CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273376985 432591750 /nfs/dbraw/zinc/59/17/50/432591750.db2.gz HJNCPAMRDOKUCU-CYBMUJFWSA-N 1 0 321.421 3.071 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1O ZINC000186798082 432632212 /nfs/dbraw/zinc/63/22/12/432632212.db2.gz YYJBEATWRPKHHR-GAJTVXKRSA-N 1 0 314.223 3.109 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCO2)c1O ZINC000186919342 432637196 /nfs/dbraw/zinc/63/71/96/432637196.db2.gz NPAOWVWPSMTAEQ-CMPLNLGQSA-N 1 0 314.223 3.293 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000178294599 432716144 /nfs/dbraw/zinc/71/61/44/432716144.db2.gz DAOGXFMBGLUEPH-MRXNPFEDSA-N 1 0 317.477 3.196 20 10 DGCDRO COCCC1(C[NH2+]Cc2cc(OC)ccc2O)CCCCC1 ZINC000187698275 432678632 /nfs/dbraw/zinc/67/86/32/432678632.db2.gz YWMIZGCBPORQFU-UHFFFAOYSA-N 1 0 307.434 3.477 20 10 DGCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)o1 ZINC000266166128 432751888 /nfs/dbraw/zinc/75/18/88/432751888.db2.gz PLQVDIMFIPMUHC-GOSISDBHSA-N 1 0 320.408 3.099 20 10 DGCDRO Cc1ccoc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000266209811 432756337 /nfs/dbraw/zinc/75/63/37/432756337.db2.gz NUIMVJDMAIPHJR-OAHLLOKOSA-N 1 0 300.402 3.275 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](COCC)C(C)C)ccc1OC ZINC000276680512 432824617 /nfs/dbraw/zinc/82/46/17/432824617.db2.gz LMEYRWHIRYIQHW-KRWDZBQOSA-N 1 0 309.450 3.382 20 10 DGCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000276755545 432824720 /nfs/dbraw/zinc/82/47/20/432824720.db2.gz UEFCTVGLNZLURL-AWEZNQCLSA-N 1 0 312.413 3.016 20 10 DGCDRO C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccccc1O ZINC000245824113 432863832 /nfs/dbraw/zinc/86/38/32/432863832.db2.gz XHNCOTVHSFCCDD-DOTOQJQBSA-N 1 0 316.445 3.005 20 10 DGCDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000268408189 432869404 /nfs/dbraw/zinc/86/94/04/432869404.db2.gz GMIGBLMRJGAGBC-RCDICMHDSA-N 1 0 317.454 3.306 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)CC2 ZINC000296199996 432882848 /nfs/dbraw/zinc/88/28/48/432882848.db2.gz YWDVIJUBWJBULJ-JKSUJKDBSA-N 1 0 312.413 3.399 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)cc1 ZINC000279008854 432926110 /nfs/dbraw/zinc/92/61/10/432926110.db2.gz SOVSGMZJQMXNPI-CVEARBPZSA-N 1 0 312.461 3.252 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000278827895 432905925 /nfs/dbraw/zinc/90/59/25/432905925.db2.gz URVDIGVQKCSCFP-ZDUSSCGKSA-N 1 0 323.400 3.040 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(Br)cc1O ZINC000296552930 432920948 /nfs/dbraw/zinc/92/09/48/432920948.db2.gz RQJVQXOIYLXGBO-VHSXEESVSA-N 1 0 316.239 3.355 20 10 DGCDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000296552928 432921284 /nfs/dbraw/zinc/92/12/84/432921284.db2.gz RQJVQXOIYLXGBO-UWVGGRQHSA-N 1 0 316.239 3.355 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(OC)CC2)c1O ZINC000280107041 433002220 /nfs/dbraw/zinc/00/22/20/433002220.db2.gz AUJUIZOHOZSMRD-INIZCTEOSA-N 1 0 313.825 3.445 20 10 DGCDRO OC[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)C[C@@H]1c1ccccc1 ZINC000289957965 432980840 /nfs/dbraw/zinc/98/08/40/432980840.db2.gz VFSJBWPNBOHPRS-QAPCUYQASA-N 1 0 317.816 3.301 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1ccc(N(C)C)cc1 ZINC000279571895 432984355 /nfs/dbraw/zinc/98/43/55/432984355.db2.gz SYIQECJNBUOYJW-GOSISDBHSA-N 1 0 313.445 3.001 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)c(=O)n1C ZINC000279597557 432986933 /nfs/dbraw/zinc/98/69/33/432986933.db2.gz VWZDLRHHOCSFQI-CQSZACIVSA-N 1 0 322.408 3.403 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(C)cc1O ZINC000280075816 433002528 /nfs/dbraw/zinc/00/25/28/433002528.db2.gz LKXARXHEJIOJJL-WBVHZDCISA-N 1 0 311.429 3.415 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(C)cc1O ZINC000280113108 433001738 /nfs/dbraw/zinc/00/17/38/433001738.db2.gz NSKRAFFMCPHDML-GDBMZVCRSA-N 1 0 305.418 3.427 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c(OC)n1 ZINC000290275066 433025159 /nfs/dbraw/zinc/02/51/59/433025159.db2.gz WOGQLSPHPMLFPJ-ZDUSSCGKSA-N 1 0 316.401 3.272 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)CCCn2ccnc2C)c1O ZINC000290461510 433057514 /nfs/dbraw/zinc/05/75/14/433057514.db2.gz NBJUTVNSQKXDLS-UHFFFAOYSA-N 1 0 323.824 3.081 20 10 DGCDRO C[C@H](O)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280533099 433073653 /nfs/dbraw/zinc/07/36/53/433073653.db2.gz IPWRAGYRHAPHJH-NSHDSACASA-N 1 0 304.356 3.022 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1 ZINC000280848867 433200559 /nfs/dbraw/zinc/20/05/59/433200559.db2.gz BJCVACQJTATMAF-WBVHZDCISA-N 1 0 317.477 3.052 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1O ZINC000291060817 433219603 /nfs/dbraw/zinc/21/96/03/433219603.db2.gz PJTFVKLAVYWNPX-HNNXBMFYSA-N 1 0 314.404 3.456 20 10 DGCDRO Cc1n[nH]cc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000281005128 433251104 /nfs/dbraw/zinc/25/11/04/433251104.db2.gz WGWHQTRTFJZJAJ-UHFFFAOYSA-N 1 0 312.339 3.093 20 10 DGCDRO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1O ZINC000281430264 433297035 /nfs/dbraw/zinc/29/70/35/433297035.db2.gz CCNYJEVXBZSCJH-LBPRGKRZSA-N 1 0 303.431 3.168 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC[C@@H]2c2ncc[nH]2)c1O ZINC000375358931 433436738 /nfs/dbraw/zinc/43/67/38/433436738.db2.gz ZDCQMYRNLVNSIV-GFCCVEGCSA-N 1 0 307.781 3.114 20 10 DGCDRO Oc1ccc(Br)cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000375355815 433436846 /nfs/dbraw/zinc/43/68/46/433436846.db2.gz XQKPAJSBXYMPIX-LBPRGKRZSA-N 1 0 322.206 3.215 20 10 DGCDRO CN(C)C[C@H]([NH2+]Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000282953201 433643431 /nfs/dbraw/zinc/64/34/31/433643431.db2.gz XXKYCRRVSWLQLA-INIZCTEOSA-N 1 0 304.821 3.438 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000292856274 433603030 /nfs/dbraw/zinc/60/30/30/433603030.db2.gz UTHNVAJBLXTUGX-DIFFPNOSSA-N 1 0 319.426 3.254 20 10 DGCDRO Cc1nc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000362385746 433675789 /nfs/dbraw/zinc/67/57/89/433675789.db2.gz HADMGNHQERVOFM-NSHDSACASA-N 1 0 307.781 3.117 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000293272384 433677778 /nfs/dbraw/zinc/67/77/78/433677778.db2.gz CLLOBTSVIWPFIG-KBPBESRZSA-N 1 0 300.377 3.461 20 10 DGCDRO CC(C)SCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000283336767 433709044 /nfs/dbraw/zinc/70/90/44/433709044.db2.gz ANCDPKNZMSNECR-UHFFFAOYSA-N 1 0 308.491 3.097 20 10 DGCDRO C[C@H]1C[C@H](CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293636721 433811803 /nfs/dbraw/zinc/81/18/03/433811803.db2.gz NPCYLUCRXTVUGS-WDEREUQCSA-N 1 0 301.789 3.480 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293794856 433873015 /nfs/dbraw/zinc/87/30/15/433873015.db2.gz UPACSVFMBKLPKF-ZFWWWQNUSA-N 1 0 306.450 3.212 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1O ZINC000294000024 433956242 /nfs/dbraw/zinc/95/62/42/433956242.db2.gz MFTFESBTZIPAJC-OAHLLOKOSA-N 1 0 313.825 3.301 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)c(O)c1 ZINC000294063813 433983682 /nfs/dbraw/zinc/98/36/82/433983682.db2.gz HJFSPUIZASGMRZ-CYBMUJFWSA-N 1 0 317.458 3.205 20 10 DGCDRO COC[C@@]1(C)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000294122715 434003332 /nfs/dbraw/zinc/00/33/32/434003332.db2.gz DURQLAYEUGVFEZ-AWEZNQCLSA-N 1 0 314.223 3.013 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000305749317 434077610 /nfs/dbraw/zinc/07/76/10/434077610.db2.gz XCFDZIABRWAVPN-LJQANCHMSA-N 1 0 315.388 3.477 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2COc3c2cccc3Cl)c1O ZINC000378088619 434079108 /nfs/dbraw/zinc/07/91/08/434079108.db2.gz HTSGAVQHYUPTSV-CYBMUJFWSA-N 1 0 305.761 3.278 20 10 DGCDRO CO[C@@](C)(C[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000291088233 294075423 /nfs/dbraw/zinc/07/54/23/294075423.db2.gz WQYVIFZOGPAUSR-AWEZNQCLSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1 ZINC000294604527 434123570 /nfs/dbraw/zinc/12/35/70/434123570.db2.gz DJCIYTIMCGPSBA-KBPBESRZSA-N 1 0 304.434 3.059 20 10 DGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000290241663 294319961 /nfs/dbraw/zinc/31/99/61/294319961.db2.gz SQDHVNMUEZVCEK-OPRDCNLKSA-N 1 0 302.212 3.229 20 10 DGCDRO FC(F)(F)c1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000294751416 434133272 /nfs/dbraw/zinc/13/32/72/434133272.db2.gz IHJRRMKBMROHNB-UHFFFAOYSA-N 1 0 308.303 3.325 20 10 DGCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1)C(N)=O ZINC000294866887 434150337 /nfs/dbraw/zinc/15/03/37/434150337.db2.gz UIOHMZILSOETSO-LBPRGKRZSA-N 1 0 324.852 3.159 20 10 DGCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000294887905 434151356 /nfs/dbraw/zinc/15/13/56/434151356.db2.gz WDUBDKOLWZFUHU-GDBMZVCRSA-N 1 0 318.461 3.457 20 10 DGCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000294887906 434151914 /nfs/dbraw/zinc/15/19/14/434151914.db2.gz WDUBDKOLWZFUHU-GOEBONIOSA-N 1 0 318.461 3.457 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1F ZINC000366251478 434369570 /nfs/dbraw/zinc/36/95/70/434369570.db2.gz OZSVKRSIWTWOFY-OAHLLOKOSA-N 1 0 306.425 3.140 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C1CCN(Cc3ccccn3)CC1)CC2 ZINC000295925921 434445572 /nfs/dbraw/zinc/44/55/72/434445572.db2.gz JXXPINPJXLTBRL-SFHVURJKSA-N 1 0 323.440 3.029 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)cc1 ZINC000359903721 434454494 /nfs/dbraw/zinc/45/44/94/434454494.db2.gz VJWILCOZRULWNK-IBGZPJMESA-N 1 0 318.461 3.213 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCSC3)CC2)cc1 ZINC000367898263 434561173 /nfs/dbraw/zinc/56/11/73/434561173.db2.gz FFEHFXKUSRVKSX-OAHLLOKOSA-N 1 0 320.502 3.397 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(C2CC2)CC1 ZINC000368638858 434579174 /nfs/dbraw/zinc/57/91/74/434579174.db2.gz PWDWGBSGLOMTHU-UHFFFAOYSA-N 1 0 300.446 3.145 20 10 DGCDRO O[C@@]1(C2CC2)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000369682063 434598526 /nfs/dbraw/zinc/59/85/26/434598526.db2.gz BVGNQGLGCOIALQ-IBGZPJMESA-N 1 0 300.446 3.024 20 10 DGCDRO O=C1Nc2ccccc2[C@H]1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000361067901 434785980 /nfs/dbraw/zinc/78/59/80/434785980.db2.gz OLJQGJJNVMGOPF-LJQANCHMSA-N 1 0 322.408 3.340 20 10 DGCDRO CO[C@@H](Cc1ccc(F)cc1)C[N@H+](C)Cc1ccccc1O ZINC000528420338 435023190 /nfs/dbraw/zinc/02/31/90/435023190.db2.gz UQMNDRLJPVNTLF-KRWDZBQOSA-N 1 0 303.377 3.221 20 10 DGCDRO CCOC[C@H]1C[N@H+](Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000530107563 435042969 /nfs/dbraw/zinc/04/29/69/435042969.db2.gz ROXLDFWGACFUTJ-MRXNPFEDSA-N 1 0 307.434 3.061 20 10 DGCDRO CC[C@@H](O)CN(Cc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000662253270 436313757 /nfs/dbraw/zinc/31/37/57/436313757.db2.gz HBFYDLVNUVACOG-LJQANCHMSA-N 1 0 310.441 3.110 20 10 DGCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCc2c1cccc2Cl ZINC000662606582 436367659 /nfs/dbraw/zinc/36/76/59/436367659.db2.gz SSTLVNRPSMECSX-UHFFFAOYSA-N 1 0 312.800 3.189 20 10 DGCDRO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000185705011 333212455 /nfs/dbraw/zinc/21/24/55/333212455.db2.gz JEKUMYOJWRXXTJ-PBHICJAKSA-N 1 0 319.445 3.117 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187731405 333236623 /nfs/dbraw/zinc/23/66/23/333236623.db2.gz JWSPEMQYXZNBMM-OCCSQVGLSA-N 1 0 321.367 3.487 20 10 DGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2O)c(C)c1OC ZINC000286244092 334152152 /nfs/dbraw/zinc/15/21/52/334152152.db2.gz UBPTZHZYRHTVHE-ZDUSSCGKSA-N 1 0 315.413 3.439 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(F)ccc1O ZINC000289846532 334168679 /nfs/dbraw/zinc/16/86/79/334168679.db2.gz QEWVNDGLWGECRD-BOFPYLFWSA-N 1 0 315.388 3.348 20 10 DGCDRO Cc1cc(NCc2ccc(N3CCSCC3)cc2)nc(C)n1 ZINC000301068769 336288298 /nfs/dbraw/zinc/28/82/98/336288298.db2.gz GGEIWZHUNFXGTM-UHFFFAOYSA-N 1 0 314.458 3.259 20 10 DGCDRO CC1CCN(c2ccc(CNc3cc[nH+]cc3C(N)=O)cc2)CC1 ZINC000302239128 336355808 /nfs/dbraw/zinc/35/58/08/336355808.db2.gz XBFLTSFDHQKQQK-UHFFFAOYSA-N 1 0 324.428 3.029 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2ccsc2)cc1 ZINC000219097365 340501729 /nfs/dbraw/zinc/50/17/29/340501729.db2.gz OMDPNIVYYQKMSQ-QGZVFWFLSA-N 1 0 304.459 3.418 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)CCCO)c1cc(Br)ccc1O ZINC000094942161 500723584 /nfs/dbraw/zinc/72/35/84/500723584.db2.gz NHSOQRQQGJKQRB-ZWNOBZJWSA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000297401199 533964472 /nfs/dbraw/zinc/96/44/72/533964472.db2.gz SMNNYAPLLKLNTC-QWRGUYRKSA-N 1 0 316.239 3.214 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCS3)CC2)cc1 ZINC000168684330 534000369 /nfs/dbraw/zinc/00/03/69/534000369.db2.gz FPOFWLJWPXUNKP-QGZVFWFLSA-N 1 0 306.475 3.149 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)cc1 ZINC000163500493 520284543 /nfs/dbraw/zinc/28/45/43/520284543.db2.gz LCQDSSXMJNJOGJ-MRXNPFEDSA-N 1 0 317.477 3.196 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CCC(n3ccnc3)CC2)c1O ZINC000184684672 522537119 /nfs/dbraw/zinc/53/71/19/522537119.db2.gz KNWIELKRPQLLDD-UHFFFAOYSA-N 1 0 321.808 3.088 20 10 DGCDRO CC[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000127400891 522599095 /nfs/dbraw/zinc/59/90/95/522599095.db2.gz WYXOKQBWMSBMQO-KKSFZXQISA-N 1 0 310.507 3.341 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3ccsc3C2)cc1OC ZINC000160509254 522776346 /nfs/dbraw/zinc/77/63/46/522776346.db2.gz TVYSUPJGYDBZKS-UHFFFAOYSA-N 1 0 305.399 3.029 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)cc1C ZINC000267168871 524088706 /nfs/dbraw/zinc/08/87/06/524088706.db2.gz HLMTUDGOTNCWJF-FZKQIMNGSA-N 1 0 303.377 3.354 20 10 DGCDRO Cc1cccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1O ZINC000180502633 524375195 /nfs/dbraw/zinc/37/51/95/524375195.db2.gz IEXDBTACKILLRR-OAQYLSRUSA-N 1 0 303.427 3.070 20 10 DGCDRO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccccc3O)C2=O)cc1 ZINC000189092527 524474143 /nfs/dbraw/zinc/47/41/43/524474143.db2.gz SLRHPKGNINZSNN-QAPCUYQASA-N 1 0 324.424 3.152 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c1 ZINC000367739531 524740032 /nfs/dbraw/zinc/74/00/32/524740032.db2.gz GOFSLCZHQJZZJM-LJQANCHMSA-N 1 0 313.397 3.283 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180717849 524741282 /nfs/dbraw/zinc/74/12/82/524741282.db2.gz RWRJCFTWODZKIQ-PBHICJAKSA-N 1 0 317.385 3.082 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136375 524766588 /nfs/dbraw/zinc/76/65/88/524766588.db2.gz OYHOBVWRQLINDC-IIYDPXPESA-N 1 0 323.458 3.106 20 10 DGCDRO Cc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccccc3O)C2=O)cc1 ZINC000179875702 524977228 /nfs/dbraw/zinc/97/72/28/524977228.db2.gz UMNDPUDODBTSCB-PBHICJAKSA-N 1 0 310.397 3.157 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)cc1C ZINC000267251116 525322793 /nfs/dbraw/zinc/32/27/93/525322793.db2.gz ZLEKLLVGRZDITA-ACJLOTCBSA-N 1 0 303.377 3.360 20 10 DGCDRO C[C@H]([NH2+]CCCn1cccn1)c1cc(Br)ccc1O ZINC000181008789 525347779 /nfs/dbraw/zinc/34/77/79/525347779.db2.gz GNZPKQIBSOIUOO-NSHDSACASA-N 1 0 324.222 3.092 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000184953887 525364441 /nfs/dbraw/zinc/36/44/41/525364441.db2.gz WBXWTICQGXFWJV-HNNXBMFYSA-N 1 0 322.412 3.191 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000157617941 525381544 /nfs/dbraw/zinc/38/15/44/525381544.db2.gz OCTJQJSZAAKNMS-SCLBCKFNSA-N 1 0 302.393 3.276 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000160548464 525445480 /nfs/dbraw/zinc/44/54/80/525445480.db2.gz XGINOKLIHLBKJL-RCDICMHDSA-N 1 0 316.470 3.341 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccccn1)c1cc(Br)ccc1O ZINC000181006903 525462425 /nfs/dbraw/zinc/46/24/25/525462425.db2.gz PJVLIFUORZSZPJ-LLVKDONJSA-N 1 0 321.218 3.443 20 10 DGCDRO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(N(C)C)cc1 ZINC000268818318 525474622 /nfs/dbraw/zinc/47/46/22/525474622.db2.gz QTHVSNQRNQVXHM-LBPRGKRZSA-N 1 0 300.431 3.313 20 10 DGCDRO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000179529226 527085961 /nfs/dbraw/zinc/08/59/61/527085961.db2.gz BPMIPDANUHWZHQ-UHFFFAOYSA-N 1 0 323.440 3.269 20 10 DGCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000178698601 527437793 /nfs/dbraw/zinc/43/77/93/527437793.db2.gz LPAXRYYTNDUZHG-LSDHHAIUSA-N 1 0 300.450 3.244 20 10 DGCDRO OCC[N@H+](Cc1cc(F)ccc1O)[C@H]1CCc2ccccc21 ZINC000180152903 527550401 /nfs/dbraw/zinc/55/04/01/527550401.db2.gz YHSPSLBFKJFNOI-KRWDZBQOSA-N 1 0 301.361 3.013 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1 ZINC000370671056 527870523 /nfs/dbraw/zinc/87/05/23/527870523.db2.gz LQROBLJEFYMQQX-RDTXWAMCSA-N 1 0 324.472 3.449 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)[C@]12CCCO2 ZINC000285394042 535513151 /nfs/dbraw/zinc/51/31/51/535513151.db2.gz WVUFQYIHZVLISX-ITQYTPKQSA-N 1 0 319.445 3.386 20 10 DGCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NC1CCCC1 ZINC000731848333 574560377 /nfs/dbraw/zinc/56/03/77/574560377.db2.gz WOPKGOIWRSPDAN-UHFFFAOYSA-N 1 0 316.445 3.196 20 10 DGCDRO CCc1noc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000731847107 574560386 /nfs/dbraw/zinc/56/03/86/574560386.db2.gz CWAUPOYRQUIPBH-UHFFFAOYSA-N 1 0 301.390 3.282 20 10 DGCDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)C1=CC(=O)CS1 ZINC000732268482 574569482 /nfs/dbraw/zinc/56/94/82/574569482.db2.gz LUPVXMBEMNXUAU-OAHLLOKOSA-N 1 0 316.426 3.021 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@](C)(O)[C@@H](C)CC)ccc1OC ZINC000732820988 574583532 /nfs/dbraw/zinc/58/35/32/574583532.db2.gz RLTNMCKCTWINHT-KSSFIOAISA-N 1 0 309.450 3.118 20 10 DGCDRO C[C@H]1CCC[C@@](C[NH2+]Cc2ccc(N(C)C)c(F)c2)(N(C)C)C1 ZINC000733325815 574615906 /nfs/dbraw/zinc/61/59/06/574615906.db2.gz YOMMPPHEWJDVPK-HNAYVOBHSA-N 1 0 321.484 3.492 20 10 DGCDRO COc1cccc(C[NH2+][C@H]2CCOc3c(OC)cccc32)c1O ZINC000733331616 574617066 /nfs/dbraw/zinc/61/70/66/574617066.db2.gz FDCNJYZKAWBNLI-AWEZNQCLSA-N 1 0 315.369 3.023 20 10 DGCDRO Cn1cc(C(C)(C)[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000742373763 574993684 /nfs/dbraw/zinc/99/36/84/574993684.db2.gz ITFQIVRBCDNDML-UHFFFAOYSA-N 1 0 312.461 3.435 20 10 DGCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)ccc1O ZINC000743499930 575054771 /nfs/dbraw/zinc/05/47/71/575054771.db2.gz QFKWBOMXMYDLIJ-GXFFZTMASA-N 1 0 316.239 3.041 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000743767949 575063281 /nfs/dbraw/zinc/06/32/81/575063281.db2.gz NLWOXIGOEKKXGL-ZDUSSCGKSA-N 1 0 303.406 3.473 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000729681964 575260336 /nfs/dbraw/zinc/26/03/36/575260336.db2.gz PJSAIXDMOVJPPK-SFHVURJKSA-N 1 0 308.425 3.386 20 10 DGCDRO CCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000729682311 575260640 /nfs/dbraw/zinc/26/06/40/575260640.db2.gz NEWSRRUSQOPRIL-UHFFFAOYSA-N 1 0 316.357 3.031 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 ZINC000749125812 575629188 /nfs/dbraw/zinc/62/91/88/575629188.db2.gz HQBQVGBRTMAJFM-MCIONIFRSA-N 1 0 306.425 3.327 20 10 DGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000750826906 575754114 /nfs/dbraw/zinc/75/41/14/575754114.db2.gz UBWXMYMEQWXKHN-HOTGVXAUSA-N 1 0 323.408 3.369 20 10 DGCDRO COC[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000751945628 575813609 /nfs/dbraw/zinc/81/36/09/575813609.db2.gz ALKJDXKTOOCDIX-CQSZACIVSA-N 1 0 301.386 3.165 20 10 DGCDRO CS[C@H](C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000752099414 575823472 /nfs/dbraw/zinc/82/34/72/575823472.db2.gz IBKPAHLKHSIKIA-CYBMUJFWSA-N 1 0 323.462 3.426 20 10 DGCDRO COc1c(Br)cccc1C[NH2+]Cc1ccccc1O ZINC000752266259 575829807 /nfs/dbraw/zinc/82/98/07/575829807.db2.gz OCSZXTRGNBHCAL-UHFFFAOYSA-N 1 0 322.202 3.453 20 10 DGCDRO CCOC(=O)CCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000726691756 576037327 /nfs/dbraw/zinc/03/73/27/576037327.db2.gz KUQNSQRJEVOXFI-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO CC[N@H+](Cc1cc(C(=O)OC)co1)Cc1ccc(N(C)C)cc1 ZINC000726691637 576037371 /nfs/dbraw/zinc/03/73/71/576037371.db2.gz HLQNBAHBDUOUBM-UHFFFAOYSA-N 1 0 316.401 3.154 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2ccc(C)o2)ccc1OC ZINC000747853711 576052723 /nfs/dbraw/zinc/05/27/23/576052723.db2.gz CGXSOZKCSGSWIX-UHFFFAOYSA-N 1 0 303.402 3.465 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)ccc1N1CCCCC1 ZINC000852663950 620638641 /nfs/dbraw/zinc/63/86/41/620638641.db2.gz AIDAJEUNJDKQQZ-OALUTQOASA-N 1 0 314.473 3.454 20 10 DGCDRO CCOc1ccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000852844953 620652100 /nfs/dbraw/zinc/65/21/00/620652100.db2.gz OYGPIUJCEKKFMV-UHFFFAOYSA-N 1 0 310.397 3.008 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2(O)CCC(C)CC2)ccc1OC ZINC000853092298 620667450 /nfs/dbraw/zinc/66/74/50/620667450.db2.gz JORPSBOPCDUFPC-UHFFFAOYSA-N 1 0 321.461 3.263 20 10 DGCDRO c1ccc([C@H]2C[C@H]2C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000111398444 620706901 /nfs/dbraw/zinc/70/69/01/620706901.db2.gz VBJIAPVZUQVFJZ-PZJWPPBQSA-N 1 0 322.452 3.417 20 10 DGCDRO CCc1cc(C[N@H+](C)CC2CN(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853555271 620709801 /nfs/dbraw/zinc/70/98/01/620709801.db2.gz IHUNHXFMSSAAEZ-UHFFFAOYSA-N 1 0 304.478 3.246 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1C ZINC000853624093 620717216 /nfs/dbraw/zinc/71/72/16/620717216.db2.gz MKNXKUGURHRWRU-KDURUIRLSA-N 1 0 301.430 3.402 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@@](C)(C(F)F)O1 ZINC000853631371 620717862 /nfs/dbraw/zinc/71/78/62/620717862.db2.gz VPOZQLRBGIWJED-GTNSWQLSSA-N 1 0 311.372 3.125 20 10 DGCDRO CC[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccccc1O ZINC000154994313 620752901 /nfs/dbraw/zinc/75/29/01/620752901.db2.gz XLIZSLNSCVYUTC-IBGZPJMESA-N 1 0 310.441 3.491 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c(O)c1OC ZINC000891404785 617793394 /nfs/dbraw/zinc/79/33/94/617793394.db2.gz OAKKMWHOTTZMHQ-CQSZACIVSA-N 1 0 302.374 3.075 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2)c(O)c1OC ZINC000891482074 617813484 /nfs/dbraw/zinc/81/34/84/617813484.db2.gz SDJWAUNEGABQKU-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO COC(=O)c1c[nH]c(C[N@H+](C)Cc2ccccc2O)c1C1CC1 ZINC000891714369 617877335 /nfs/dbraw/zinc/87/73/35/617877335.db2.gz XRMAXWQGSUFGKQ-UHFFFAOYSA-N 1 0 314.385 3.016 20 10 DGCDRO COc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c(O)c1OC ZINC000892112117 617964611 /nfs/dbraw/zinc/96/46/11/617964611.db2.gz PNNBPNIMHDIHMG-CYBMUJFWSA-N 1 0 313.397 3.356 20 10 DGCDRO CCc1cc(C[N@@H+]2CC[C@H](C(=O)OC)C2)c(O)c(C(C)(C)C)c1 ZINC000919941867 620773063 /nfs/dbraw/zinc/77/30/63/620773063.db2.gz XPHWRKBBTNFRAC-AWEZNQCLSA-N 1 0 319.445 3.247 20 10 DGCDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892410654 618059718 /nfs/dbraw/zinc/05/97/18/618059718.db2.gz SSCMDLQUICMCPO-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000892593765 618114998 /nfs/dbraw/zinc/11/49/98/618114998.db2.gz ZUWBZOBSNWEGSC-UHFFFAOYSA-N 1 0 317.385 3.098 20 10 DGCDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2)c(O)c1OC ZINC000892679915 618135716 /nfs/dbraw/zinc/13/57/16/618135716.db2.gz WCMPQWKQLUAXIA-UHFFFAOYSA-N 1 0 301.386 3.434 20 10 DGCDRO C[C@H](NCC12CC(C1)C[NH2+]2)c1ccc(N2CCCCCC2)cc1 ZINC000854227787 620786712 /nfs/dbraw/zinc/78/67/12/620786712.db2.gz QMQXLSOOKLVMOF-VXESANQCSA-N 1 0 313.489 3.470 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)c2ncc(C)s2)c1O ZINC000894460428 618342373 /nfs/dbraw/zinc/34/23/73/618342373.db2.gz OSEBEONHNHREGK-NSHDSACASA-N 1 0 306.431 3.367 20 10 DGCDRO CN(Cc1ccc(Cl)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000894462580 618342522 /nfs/dbraw/zinc/34/25/22/618342522.db2.gz YXPSUBDRPSIOQW-UHFFFAOYSA-N 1 0 319.836 3.312 20 10 DGCDRO COc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)c(O)c1OC ZINC000892988594 618379924 /nfs/dbraw/zinc/37/99/24/618379924.db2.gz IUSCCDSIVKGEHQ-UHFFFAOYSA-N 1 0 317.360 3.327 20 10 DGCDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)c(O)c1OC ZINC000894583772 618394066 /nfs/dbraw/zinc/39/40/66/618394066.db2.gz AWBTYZJXVMIREQ-KRWDZBQOSA-N 1 0 305.418 3.420 20 10 DGCDRO C[C@@]1(Br)C[C@H]1C[NH2+]CCCSc1nccs1 ZINC000893044588 618402325 /nfs/dbraw/zinc/40/23/25/618402325.db2.gz IEZQHUITSUDWBT-GXSJLCMTSA-N 1 0 321.309 3.388 20 10 DGCDRO CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C[NH+]1CCCC1 ZINC000792195113 618434224 /nfs/dbraw/zinc/43/42/24/618434224.db2.gz CNWRVMYBRLWICK-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000894755639 618447489 /nfs/dbraw/zinc/44/74/89/618447489.db2.gz VMXIFMHFEBEGBA-CYBMUJFWSA-N 1 0 319.202 3.327 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC2(c3ccccn3)CCC2)c1O ZINC000894756750 618447559 /nfs/dbraw/zinc/44/75/59/618447559.db2.gz NAWJYVMJWVPTLN-UHFFFAOYSA-N 1 0 312.413 3.316 20 10 DGCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C[C@H]1OC ZINC000893172118 618458035 /nfs/dbraw/zinc/45/80/35/618458035.db2.gz MCIOFWQFCOACOD-HUUCEWRRSA-N 1 0 323.433 3.093 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)CC(F)(F)F)c(O)c1OC ZINC000894909956 618497750 /nfs/dbraw/zinc/49/77/50/618497750.db2.gz LEQPBFJNTLQYBF-VIFPVBQESA-N 1 0 307.312 3.088 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000894993314 618507214 /nfs/dbraw/zinc/50/72/14/618507214.db2.gz JCBQXVKQFMAFCO-IRXDYDNUSA-N 1 0 313.397 3.017 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCc2ncc(C)cc2C)c1O ZINC000895187148 618570476 /nfs/dbraw/zinc/57/04/76/618570476.db2.gz LDZVMGVPIZPDKU-UHFFFAOYSA-N 1 0 300.402 3.053 20 10 DGCDRO COc1ccc(C[NH2+]C2(C)CCC(F)(F)CC2)c(O)c1OC ZINC000893514380 618579833 /nfs/dbraw/zinc/57/98/33/618579833.db2.gz CCDVTBMHZLVHKT-UHFFFAOYSA-N 1 0 315.360 3.467 20 10 DGCDRO C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000925738273 618591254 /nfs/dbraw/zinc/59/12/54/618591254.db2.gz PSFAWKYVZGQQLW-MRVPVSSYSA-N 1 0 319.218 3.072 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000840928187 618600643 /nfs/dbraw/zinc/60/06/43/618600643.db2.gz LWYMIJZPIXALQK-SFHVURJKSA-N 1 0 302.393 3.023 20 10 DGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000112380073 620821339 /nfs/dbraw/zinc/82/13/39/620821339.db2.gz CFBOIUJLEWFPPD-HZMBPMFUSA-N 1 0 316.239 3.041 20 10 DGCDRO CC(C)(C)c1ccncc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000840958031 618634456 /nfs/dbraw/zinc/63/44/56/618634456.db2.gz HRCMAYGPQGVTMR-UHFFFAOYSA-N 1 0 314.385 3.103 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CC(CO)(c3ccccc3)C2)c1O ZINC000840969840 618646181 /nfs/dbraw/zinc/64/61/81/618646181.db2.gz LDLGGPGQKKADDS-UHFFFAOYSA-N 1 0 317.816 3.100 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C(F)(F)F)CCCN2)c(O)c1 ZINC000925852754 618646565 /nfs/dbraw/zinc/64/65/65/618646565.db2.gz GHNPVBVFGCRJIM-FZMZJTMJSA-N 1 0 302.340 3.036 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccncc1F ZINC000840975754 618652076 /nfs/dbraw/zinc/65/20/76/618652076.db2.gz LNKHNXBAQMQDAD-CQSZACIVSA-N 1 0 301.409 3.316 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1O ZINC000894028577 618697227 /nfs/dbraw/zinc/69/72/27/618697227.db2.gz UCBBTWYZBXPQMK-KRWDZBQOSA-N 1 0 315.413 3.265 20 10 DGCDRO COc1ccc(OC)c(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894163424 618722211 /nfs/dbraw/zinc/72/22/11/618722211.db2.gz WBNSHYXHLCEHFU-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000894199496 618727111 /nfs/dbraw/zinc/72/71/11/618727111.db2.gz LCSFSSVZVJQAMV-INIZCTEOSA-N 1 0 317.433 3.110 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)COc2ccccc2)c1O ZINC000894207795 618729692 /nfs/dbraw/zinc/72/96/92/618729692.db2.gz ZBRHCZFTOVRNEW-AWEZNQCLSA-N 1 0 301.386 3.266 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C3CC(SC)C3)CC2)cc1 ZINC000924906386 618734979 /nfs/dbraw/zinc/73/49/79/618734979.db2.gz LCWYOGWLUKGUMK-UHFFFAOYSA-N 1 0 306.475 3.148 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000894325516 618764853 /nfs/dbraw/zinc/76/48/53/618764853.db2.gz JGPWIGUISQQZJC-YVEFUNNKSA-N 1 0 319.376 3.060 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1O ZINC000894337434 618766871 /nfs/dbraw/zinc/76/68/71/618766871.db2.gz SGHYEEMSEXVIAL-ZHALLVOQSA-N 1 0 309.409 3.385 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)c1O ZINC000894365865 618772600 /nfs/dbraw/zinc/77/26/00/618772600.db2.gz AXVCKTAGIPNCBU-WMLDXEAASA-N 1 0 315.413 3.311 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1O ZINC000894375397 618774388 /nfs/dbraw/zinc/77/43/88/618774388.db2.gz KGRLFYJZQDNBOH-JKSUJKDBSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1O ZINC000895453366 618785279 /nfs/dbraw/zinc/78/52/79/618785279.db2.gz BZPGGTRAJAKNLZ-PBHICJAKSA-N 1 0 305.418 3.004 20 10 DGCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2O)[nH]c1C(C)C ZINC000895459428 618786923 /nfs/dbraw/zinc/78/69/23/618786923.db2.gz BYNZNTZVOJFDRO-GFCCVEGCSA-N 1 0 316.401 3.481 20 10 DGCDRO COc1ccc(C[N@H+](CCC2CC2)CC2CC2)c(O)c1OC ZINC000895460270 618787008 /nfs/dbraw/zinc/78/70/08/618787008.db2.gz GMJABHQDRHAZQD-UHFFFAOYSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1ccc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c(O)c1OC ZINC000895551239 618797789 /nfs/dbraw/zinc/79/77/89/618797789.db2.gz UMEKAPNGBOYXBV-QWRGUYRKSA-N 1 0 315.360 3.133 20 10 DGCDRO CCOc1cccc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c1O ZINC000895657623 618812961 /nfs/dbraw/zinc/81/29/61/618812961.db2.gz BHQVLHDFGNAGKH-GOSISDBHSA-N 1 0 315.413 3.393 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCC3)O2)c1O ZINC000895677181 618814985 /nfs/dbraw/zinc/81/49/85/618814985.db2.gz KCDLFBFOFDTSCQ-CYBMUJFWSA-N 1 0 311.809 3.246 20 10 DGCDRO Cc1cc(O)c(CN2CCC(C)([NH+]3CCC3)CC2)cc1Cl ZINC000895670252 618815776 /nfs/dbraw/zinc/81/57/76/618815776.db2.gz DIXMZYIHZUCNEL-UHFFFAOYSA-N 1 0 308.853 3.414 20 10 DGCDRO Cc1cc(O)c(CN2CCC(C)([NH+]3CCC3)CC2)c(Cl)c1 ZINC000895670318 618815805 /nfs/dbraw/zinc/81/58/05/618815805.db2.gz DRIZCKRMVFULDJ-UHFFFAOYSA-N 1 0 308.853 3.414 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@]23C[C@H]2CCCC3)c(O)c1OC ZINC000895753830 618827353 /nfs/dbraw/zinc/82/73/53/618827353.db2.gz RESGYCFMHAOYIL-DFHBCGBQSA-N 1 0 305.418 3.468 20 10 DGCDRO COc1ccc(F)cc1CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895803915 618833645 /nfs/dbraw/zinc/83/36/45/618833645.db2.gz GQFHVXCZICVDFU-UHFFFAOYSA-N 1 0 319.376 3.189 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1Cl ZINC000895837594 618836535 /nfs/dbraw/zinc/83/65/35/618836535.db2.gz OAHPOYPWJYYXRD-ZDUSSCGKSA-N 1 0 323.742 3.101 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1O ZINC000895843814 618838549 /nfs/dbraw/zinc/83/85/49/618838549.db2.gz CRULTQHQPLETIY-FZMZJTMJSA-N 1 0 311.809 3.055 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1O ZINC000896226323 618888495 /nfs/dbraw/zinc/88/84/95/618888495.db2.gz DBVJXDZUWXIEAW-CYBMUJFWSA-N 1 0 319.298 3.267 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896279866 618896326 /nfs/dbraw/zinc/89/63/26/618896326.db2.gz JOPGALZRJPTAEC-GJZGRUSLSA-N 1 0 316.367 3.261 20 10 DGCDRO CCc1cccc(C[NH2+]CC(=O)N(CC)c2ccccc2)c1O ZINC000896293242 618898822 /nfs/dbraw/zinc/89/88/22/618898822.db2.gz KXBURXHNHHQWTE-UHFFFAOYSA-N 1 0 312.413 3.097 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(O)(C3CCC3)CC2)cc1F ZINC000897035784 619004634 /nfs/dbraw/zinc/00/46/34/619004634.db2.gz VLKYPYSTQHVDRY-UHFFFAOYSA-N 1 0 306.425 3.019 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(O)(C3CCC3)CC2)cc1 ZINC000897035221 619004784 /nfs/dbraw/zinc/00/47/84/619004784.db2.gz DGJCSXIRZRLKCE-SNAWJCMRSA-N 1 0 314.473 3.393 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c(O)c1OC ZINC000897224736 619032092 /nfs/dbraw/zinc/03/20/92/619032092.db2.gz FMSUWZYJTBMPKT-CYBMUJFWSA-N 1 0 323.433 3.093 20 10 DGCDRO Cc1csc(C[C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000897299162 619048411 /nfs/dbraw/zinc/04/84/11/619048411.db2.gz WCALSOAOHDQTDQ-GFCCVEGCSA-N 1 0 306.406 3.361 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)c1 ZINC000897320203 619056125 /nfs/dbraw/zinc/05/61/25/619056125.db2.gz OQNYINKZPWASDQ-UHFFFAOYSA-N 1 0 321.380 3.350 20 10 DGCDRO CN(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000021051816 619058308 /nfs/dbraw/zinc/05/83/08/619058308.db2.gz ROGGEYYKTUNMIJ-MRXNPFEDSA-N 1 0 304.821 3.438 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)cc1C ZINC000897423284 619110687 /nfs/dbraw/zinc/11/06/87/619110687.db2.gz XCICZPLLSFXJNR-UHFFFAOYSA-N 1 0 320.433 3.156 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)C2CCOCC2)c1O ZINC000897441765 619128577 /nfs/dbraw/zinc/12/85/77/619128577.db2.gz ILCXYNILDGSGDE-UHFFFAOYSA-N 1 0 307.434 3.252 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(Cl)cc1O ZINC000841751195 619149487 /nfs/dbraw/zinc/14/94/87/619149487.db2.gz MKIYJVLGUDTZEC-NSHDSACASA-N 1 0 305.809 3.357 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(Cl)cc1O ZINC000841751194 619149534 /nfs/dbraw/zinc/14/95/34/619149534.db2.gz MKIYJVLGUDTZEC-LLVKDONJSA-N 1 0 305.809 3.357 20 10 DGCDRO Nc1ccc(CC[NH2+]Cc2cccc(OC(F)(F)F)c2)cc1 ZINC000841034017 619169137 /nfs/dbraw/zinc/16/91/37/619169137.db2.gz FIYRGOAFPRPKDE-UHFFFAOYSA-N 1 0 310.319 3.500 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1cncs1 ZINC000897934404 619194511 /nfs/dbraw/zinc/19/45/11/619194511.db2.gz IXPAXEOIVXEIOT-MRVPVSSYSA-N 1 0 313.220 3.462 20 10 DGCDRO COc1cc(C[NH2+]CCc2ccc(N)cc2)ccc1OC(F)F ZINC000841036850 619200661 /nfs/dbraw/zinc/20/06/61/619200661.db2.gz PVNPOCGVXWGPMG-UHFFFAOYSA-N 1 0 322.355 3.211 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1Cl ZINC000898061720 619209718 /nfs/dbraw/zinc/20/97/18/619209718.db2.gz HSPYHNYTUTWMAC-XJKSGUPXSA-N 1 0 307.821 3.403 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1 ZINC000898063328 619210104 /nfs/dbraw/zinc/21/01/04/619210104.db2.gz YFSXPKFCEJBZKJ-VAIVQVOGSA-N 1 0 312.457 3.315 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCOC23CCCC3)ccc1OC ZINC000898111918 619214601 /nfs/dbraw/zinc/21/46/01/619214601.db2.gz IQBUVFSDXUHZOD-GOSISDBHSA-N 1 0 319.445 3.423 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000898218694 619222968 /nfs/dbraw/zinc/22/29/68/619222968.db2.gz NAKIAZZWLGBNSL-UHFFFAOYSA-N 1 0 317.820 3.199 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)cc1 ZINC000929152867 619226459 /nfs/dbraw/zinc/22/64/59/619226459.db2.gz HGGUPNBNIBKTRA-AYGBPOKTSA-N 1 0 322.399 3.109 20 10 DGCDRO Cc1ncccc1CC[NH2+]Cc1c(O)cccc1Br ZINC000898252099 619228352 /nfs/dbraw/zinc/22/83/52/619228352.db2.gz XZRWPAQPRNZQMN-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnn(CCF)c2)cc1 ZINC000929183604 619244200 /nfs/dbraw/zinc/24/42/00/619244200.db2.gz CCUPXVNOEAKBOG-UHFFFAOYSA-N 1 0 318.440 3.331 20 10 DGCDRO C[C@H](CCc1ccsc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046139 619247371 /nfs/dbraw/zinc/24/73/71/619247371.db2.gz WWMNZHAFQCMIFE-RDTXWAMCSA-N 1 0 317.502 3.425 20 10 DGCDRO CC[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccccc1O ZINC000926966215 619254133 /nfs/dbraw/zinc/25/41/33/619254133.db2.gz ZFLKBVJPDDOCPS-GXTWGEPZSA-N 1 0 304.356 3.316 20 10 DGCDRO CC[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Cl)ccc1O ZINC000927002697 619256046 /nfs/dbraw/zinc/25/60/46/619256046.db2.gz XUUROTKKUSLESP-CQSZACIVSA-N 1 0 311.809 3.239 20 10 DGCDRO CCOCCOCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000927087141 619264086 /nfs/dbraw/zinc/26/40/86/619264086.db2.gz KUJDYUDOYCWUEO-CQSZACIVSA-N 1 0 303.402 3.249 20 10 DGCDRO CCOCCOCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000927087139 619264311 /nfs/dbraw/zinc/26/43/11/619264311.db2.gz KUJDYUDOYCWUEO-AWEZNQCLSA-N 1 0 303.402 3.249 20 10 DGCDRO Cc1ccoc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449658 619276013 /nfs/dbraw/zinc/27/60/13/619276013.db2.gz IPVOFTOKXPFPLU-QGZVFWFLSA-N 1 0 301.434 3.047 20 10 DGCDRO COc1cccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000898516210 619283085 /nfs/dbraw/zinc/28/30/85/619283085.db2.gz NZAZILZDBKMSMR-HOCLYGCPSA-N 1 0 305.418 3.039 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000898516593 619283753 /nfs/dbraw/zinc/28/37/53/619283753.db2.gz VDRJHUHEZXTJEP-CABCVRRESA-N 1 0 305.418 3.039 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cc(C)cc(N)c2)c1O ZINC000841071917 619474564 /nfs/dbraw/zinc/47/45/64/619474564.db2.gz VKFXIRIXGJFOSA-UHFFFAOYSA-N 1 0 306.793 3.235 20 10 DGCDRO O=C(/C=C\c1cccnc1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000902699817 619663562 /nfs/dbraw/zinc/66/35/62/619663562.db2.gz SWMZVIZSZZCIDC-LPADLIQXSA-N 1 0 319.408 3.106 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902761378 619671784 /nfs/dbraw/zinc/67/17/84/619671784.db2.gz OXTDFCVXPPPGAQ-IRXDYDNUSA-N 1 0 300.446 3.192 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3C[C@H]4CCC[C@@H]4C3)cc2)CC1 ZINC000903056921 619707345 /nfs/dbraw/zinc/70/73/45/619707345.db2.gz VJUCKWLXOIFPPB-IAGOWNOFSA-N 1 0 314.473 3.316 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nc(CN(C)C)cs2)c(O)c1 ZINC000903219791 619741113 /nfs/dbraw/zinc/74/11/13/619741113.db2.gz KDXVSQVEUGQRLD-CYBMUJFWSA-N 1 0 319.474 3.378 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cccc(Cl)c1[O-] ZINC000903274453 619750693 /nfs/dbraw/zinc/75/06/93/619750693.db2.gz MTOILEBTNJCEHU-CQSZACIVSA-N 1 0 311.788 3.453 20 10 DGCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000903299077 619753565 /nfs/dbraw/zinc/75/35/65/619753565.db2.gz DDUCQBOVZWEGIX-KFKAGJAMSA-N 1 0 318.461 3.131 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2c(C)cc(CO)cc2C)c1O ZINC000903303978 619754118 /nfs/dbraw/zinc/75/41/18/619754118.db2.gz XJLZMGQUCDDWMC-CQSZACIVSA-N 1 0 315.413 3.361 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c(O)c1 ZINC000903341776 619760457 /nfs/dbraw/zinc/76/04/57/619760457.db2.gz RXPUHPZRJPORTP-JTQLQIEISA-N 1 0 313.323 3.304 20 10 DGCDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903331828 619762664 /nfs/dbraw/zinc/76/26/64/619762664.db2.gz NZQVYTYMWLVZJM-UONOGXRCSA-N 1 0 324.440 3.126 20 10 DGCDRO CC(C)O[C@]1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CCOC1 ZINC000903357236 619764760 /nfs/dbraw/zinc/76/47/60/619764760.db2.gz LJLUCJYYOZYPSL-WRSAYESZSA-N 1 0 323.408 3.253 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1cc(Cl)ccc1O ZINC000903391602 619766499 /nfs/dbraw/zinc/76/64/99/619766499.db2.gz ZIKNESWSXSPVPY-ABAIWWIYSA-N 1 0 311.809 3.034 20 10 DGCDRO Cc1ccc(O)c([C@H](C)N[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000903378468 619768289 /nfs/dbraw/zinc/76/82/89/619768289.db2.gz CJPAQOLGAMFNJI-MAUKXSAKSA-N 1 0 313.445 3.439 20 10 DGCDRO C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1cc(F)ccc1O ZINC000903381872 619769156 /nfs/dbraw/zinc/76/91/56/619769156.db2.gz ZJUPOCXANYVBII-DYVFJYSZSA-N 1 0 317.408 3.270 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(Cl)cc1O ZINC000903390168 619770988 /nfs/dbraw/zinc/77/09/88/619770988.db2.gz PYVJDBRCXQDBPO-NHYWBVRUSA-N 1 0 311.809 3.034 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cc(Cl)ccc1O ZINC000903440636 619775781 /nfs/dbraw/zinc/77/57/81/619775781.db2.gz RNLSVBIIMRVJFK-IGGJQXEISA-N 1 0 303.789 3.355 20 10 DGCDRO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1nccs1 ZINC000903447735 619778049 /nfs/dbraw/zinc/77/80/49/619778049.db2.gz BUDQXFCOXAWCEH-CJNGLKHVSA-N 1 0 318.490 3.163 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cncs1 ZINC000903448418 619778639 /nfs/dbraw/zinc/77/86/39/619778639.db2.gz PBCDBRIQPWCAFZ-BBRMVZONSA-N 1 0 318.490 3.163 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000903451039 619779050 /nfs/dbraw/zinc/77/90/50/619779050.db2.gz QNEYSFSKHJQLDX-OPDFLTKYSA-N 1 0 321.392 3.401 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]([NH3+])CC(F)F ZINC000903874008 619827482 /nfs/dbraw/zinc/82/74/82/619827482.db2.gz QKLCRAQNYQUVKV-OAHLLOKOSA-N 1 0 311.420 3.091 20 10 DGCDRO COc1cc(Cl)cc(CN2CCCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000903959946 619840127 /nfs/dbraw/zinc/84/01/27/619840127.db2.gz SOAQFGHPRVQNBO-QGZVFWFLSA-N 1 0 324.852 3.020 20 10 DGCDRO Cc1nc([C@@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)no1 ZINC000905684889 620018843 /nfs/dbraw/zinc/01/88/43/620018843.db2.gz GHBRASPUYNLVNY-CQSZACIVSA-N 1 0 309.369 3.226 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(O)c(C(C)(C)C)c1 ZINC000905695318 620020874 /nfs/dbraw/zinc/02/08/74/620020874.db2.gz NLVRCBNRLMUXHF-CQSZACIVSA-N 1 0 319.445 3.193 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2COC(C)(C)C)c1O ZINC000905725229 620022427 /nfs/dbraw/zinc/02/24/27/620022427.db2.gz SRWAYZHSYWTTOD-HNNXBMFYSA-N 1 0 307.434 3.489 20 10 DGCDRO CN(Cc1nccn1C(F)F)Cc1c(O)ccc2ccncc21 ZINC000913062051 620422077 /nfs/dbraw/zinc/42/20/77/620422077.db2.gz GGLFIDMDKQDCHF-UHFFFAOYSA-N 1 0 318.327 3.164 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C1(c3cccc(F)c3)CC1)OCO2 ZINC000152868772 620526544 /nfs/dbraw/zinc/52/65/44/620526544.db2.gz GBONHQPIKNBGQW-UHFFFAOYSA-N 1 0 301.317 3.039 20 10 DGCDRO C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1O ZINC000154037320 620633632 /nfs/dbraw/zinc/63/36/32/620633632.db2.gz UHEWHIVUINEKDD-HNNXBMFYSA-N 1 0 307.397 3.488 20 10 DGCDRO COCCOc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000113323833 620904269 /nfs/dbraw/zinc/90/42/69/620904269.db2.gz AUDGIAUPUDWNGQ-UHFFFAOYSA-N 1 0 301.386 3.016 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2nccc3c2CCCC3)cc1F ZINC000921621920 620916626 /nfs/dbraw/zinc/91/66/26/620916626.db2.gz BAWSWMFNXPNHDX-UHFFFAOYSA-N 1 0 313.420 3.455 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](O)c1cccc(F)c1 ZINC000921818125 620955091 /nfs/dbraw/zinc/95/50/91/620955091.db2.gz XQVGUZBRAIRZLR-ORAYPTAESA-N 1 0 315.388 3.362 20 10 DGCDRO c1cncc([C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)c1 ZINC000922162732 620999277 /nfs/dbraw/zinc/99/92/77/620999277.db2.gz JAKIRSHFEQNBST-QUCCMNQESA-N 1 0 324.424 3.417 20 10 DGCDRO FC(F)(F)c1ncc(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000922237230 621011079 /nfs/dbraw/zinc/01/10/79/621011079.db2.gz XQFWXLCZESYDIF-UHFFFAOYSA-N 1 0 323.318 3.110 20 10 DGCDRO OC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC(F)(F)CC1 ZINC000922263178 621014570 /nfs/dbraw/zinc/01/45/70/621014570.db2.gz RECSPYWVKYOSKB-UHFFFAOYSA-N 1 0 311.372 3.042 20 10 DGCDRO CCCC[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000856994430 621042908 /nfs/dbraw/zinc/04/29/08/621042908.db2.gz MUVIMUVWCFZJSF-MSOLQXFVSA-N 1 0 319.493 3.331 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cc1Cn1cccn1 ZINC000922509102 621048855 /nfs/dbraw/zinc/04/88/55/621048855.db2.gz JHHXPMDFIXCOIF-NKGKWGDASA-N 1 0 311.429 3.074 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1CO ZINC000857061028 621053308 /nfs/dbraw/zinc/05/33/08/621053308.db2.gz IDFUGAVWSRJIDI-WMZOPIPTSA-N 1 0 302.462 3.127 20 10 DGCDRO c1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)nc1 ZINC000922585704 621062125 /nfs/dbraw/zinc/06/21/25/621062125.db2.gz NTRDAIWANAYFKS-FQEVSTJZSA-N 1 0 323.440 3.159 20 10 DGCDRO C[NH+](C)CC[C@H](NCc1cc(Cl)ccc1O)c1cccnc1 ZINC000922629862 621070061 /nfs/dbraw/zinc/07/00/61/621070061.db2.gz AEGZPQGIJBNKKZ-INIZCTEOSA-N 1 0 319.836 3.223 20 10 DGCDRO CCOc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(O)c1 ZINC000922848827 621108445 /nfs/dbraw/zinc/10/84/45/621108445.db2.gz YWQUXEWAZIXXBY-UHFFFAOYSA-N 1 0 318.461 3.288 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c(O)c1 ZINC000922896304 621127619 /nfs/dbraw/zinc/12/76/19/621127619.db2.gz IKXBSZWHKWRAPY-YJBOKZPZSA-N 1 0 305.418 3.086 20 10 DGCDRO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000923006346 621145722 /nfs/dbraw/zinc/14/57/22/621145722.db2.gz FWYCWTNJGGVSMK-TYKWCNGQSA-N 1 0 323.436 3.194 20 10 DGCDRO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000923010636 621146050 /nfs/dbraw/zinc/14/60/50/621146050.db2.gz WZYDKFBEPVDESO-UJKQEGAGSA-N 1 0 317.816 3.228 20 10 DGCDRO CCOCc1cc(C[NH2+]C2([C@H]3CCCCO3)CC2)ccc1OC ZINC000923026910 621149423 /nfs/dbraw/zinc/14/94/23/621149423.db2.gz DQXDFFUQCMZUHR-GOSISDBHSA-N 1 0 319.445 3.423 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2([C@H]3CCCCO3)CC2)cc1 ZINC000923028391 621149834 /nfs/dbraw/zinc/14/98/34/621149834.db2.gz PUYCTRVRDNYFGR-DUMMIQTOSA-N 1 0 300.446 3.457 20 10 DGCDRO COCc1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858099147 621152815 /nfs/dbraw/zinc/15/28/15/621152815.db2.gz JPQATUZFSWEKPR-UHFFFAOYSA-N 1 0 320.383 3.467 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccncc3Cl)ccc21 ZINC000858116886 621154955 /nfs/dbraw/zinc/15/49/55/621154955.db2.gz RUJDNNZWAOYDCU-UHFFFAOYSA-N 1 0 301.821 3.407 20 10 DGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000858135611 621155565 /nfs/dbraw/zinc/15/55/65/621155565.db2.gz ZVJXWMLTVYGMCC-QMTHXVAHSA-N 1 0 316.239 3.041 20 10 DGCDRO CN(C)c1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858126141 621155876 /nfs/dbraw/zinc/15/58/76/621155876.db2.gz UREPDQJNWXLHLB-UHFFFAOYSA-N 1 0 319.399 3.387 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCSC2)cc1F ZINC000858163769 621160612 /nfs/dbraw/zinc/16/06/12/621160612.db2.gz JMWMIGBLTKHGME-NSHDSACASA-N 1 0 300.418 3.264 20 10 DGCDRO C[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccn1 ZINC000858188043 621162902 /nfs/dbraw/zinc/16/29/02/621162902.db2.gz PZDFRUYHWNWDPO-GFCCVEGCSA-N 1 0 305.372 3.319 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858194734 621163885 /nfs/dbraw/zinc/16/38/85/621163885.db2.gz IJALVFJIEHZRPS-UAOJZALGSA-N 1 0 314.473 3.172 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2cnnn2CC)cc1 ZINC000858202509 621164258 /nfs/dbraw/zinc/16/42/58/621164258.db2.gz AGFANTLEZVNXEF-UHFFFAOYSA-N 1 0 315.465 3.214 20 10 DGCDRO Fc1cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1N1CCOCC1 ZINC000858205136 621164705 /nfs/dbraw/zinc/16/47/05/621164705.db2.gz RTEGVCSSPXAVEJ-OIISXLGYSA-N 1 0 318.436 3.188 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cncnc2)c(C)n1-c1cccc(C)c1 ZINC000858292546 621172429 /nfs/dbraw/zinc/17/24/29/621172429.db2.gz AWVGNUKGOWFHMT-UHFFFAOYSA-N 1 0 306.413 3.482 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC000858294367 621172551 /nfs/dbraw/zinc/17/25/51/621172551.db2.gz GYNIKALPHCLQJJ-UHFFFAOYSA-N 1 0 308.429 3.426 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC2COC2)cc1 ZINC000858300657 621173408 /nfs/dbraw/zinc/17/34/08/621173408.db2.gz KRTZTYSUDGPFFW-UHFFFAOYSA-N 1 0 310.441 3.449 20 10 DGCDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000858331044 621176684 /nfs/dbraw/zinc/17/66/84/621176684.db2.gz NYFZKUCCOUDIMF-VDISTLRHSA-N 1 0 316.367 3.286 20 10 DGCDRO COc1ccc(N(C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000923374257 621179537 /nfs/dbraw/zinc/17/95/37/621179537.db2.gz XHFLSXPEZXTKDU-GOOCMWNKSA-N 1 0 304.434 3.061 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3nc(C)cs3)C2)cc1 ZINC000858431366 621189944 /nfs/dbraw/zinc/18/99/44/621189944.db2.gz VZIDKWHGWICQQH-UONOGXRCSA-N 1 0 317.458 3.390 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000858505597 621199266 /nfs/dbraw/zinc/19/92/66/621199266.db2.gz NCOGGOHJMBCLGV-SJLPKXTDSA-N 1 0 316.445 3.445 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](CC)c2ccc(C)cc2O)C1 ZINC000858508727 621200155 /nfs/dbraw/zinc/20/01/55/621200155.db2.gz OPDLDEJURATYJE-GOEBONIOSA-N 1 0 303.402 3.393 20 10 DGCDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000858583994 621207366 /nfs/dbraw/zinc/20/73/66/621207366.db2.gz KDWALLYVNWSBTA-YUSALJHKSA-N 1 0 314.223 3.291 20 10 DGCDRO C[C@H]([NH2+]CCN(C)CC(F)F)c1ccc2ccccc2c1O ZINC000858596748 621208688 /nfs/dbraw/zinc/20/86/88/621208688.db2.gz IFYDALXAIXCALP-LBPRGKRZSA-N 1 0 308.372 3.393 20 10 DGCDRO CCn1nncc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000838846685 621289803 /nfs/dbraw/zinc/28/98/03/621289803.db2.gz YRMFKINFDGOSKH-UHFFFAOYSA-N 1 0 314.433 3.339 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2ccc3c(n2)CCC3)n1 ZINC000838962090 621307098 /nfs/dbraw/zinc/30/70/98/621307098.db2.gz HDKIZSRUXCCNEC-UHFFFAOYSA-N 1 0 305.472 3.299 20 10 DGCDRO C[C@@H](CCC1CC1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146210 621333154 /nfs/dbraw/zinc/33/31/54/621333154.db2.gz ZFBJNCCVRBYZLY-ZDUSSCGKSA-N 1 0 324.415 3.470 20 10 DGCDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000839150783 621333576 /nfs/dbraw/zinc/33/35/76/621333576.db2.gz NIGIDTPBIXEXID-CYBMUJFWSA-N 1 0 314.385 3.017 20 10 DGCDRO c1ccc(CC2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000839127179 621337792 /nfs/dbraw/zinc/33/77/92/621337792.db2.gz ABCLZBVMLLGSJS-UHFFFAOYSA-N 1 0 322.452 3.198 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c1O ZINC000839182841 621343886 /nfs/dbraw/zinc/34/38/86/621343886.db2.gz QILNZRSRYKPBPO-UONOGXRCSA-N 1 0 311.809 3.101 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)c(O)c1 ZINC000839191820 621346716 /nfs/dbraw/zinc/34/67/16/621346716.db2.gz KCINWTXROVEREV-HOTGVXAUSA-N 1 0 307.434 3.473 20 10 DGCDRO C[C@@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC=CCC1 ZINC000839190832 621347095 /nfs/dbraw/zinc/34/70/95/621347095.db2.gz DRGNLANAQYULGS-GOSISDBHSA-N 1 0 304.409 3.251 20 10 DGCDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(F)ccc1O)C2 ZINC000753576344 621450539 /nfs/dbraw/zinc/45/05/39/621450539.db2.gz RAMRIYBAGWHFOD-MRXNPFEDSA-N 1 0 301.361 3.187 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000753728564 621462061 /nfs/dbraw/zinc/46/20/61/621462061.db2.gz AICXTCJNYFNMNH-LBPRGKRZSA-N 1 0 310.401 3.185 20 10 DGCDRO CCOC(=O)CC[N@@H+](Cc1cc(C)cc(C)c1O)CC1CC1 ZINC000754720794 621527682 /nfs/dbraw/zinc/52/76/82/621527682.db2.gz QHLTZKKINFSQLC-UHFFFAOYSA-N 1 0 305.418 3.174 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1O ZINC000754803137 621533832 /nfs/dbraw/zinc/53/38/32/621533832.db2.gz QGEIMHJAFSINKT-NSHDSACASA-N 1 0 319.380 3.362 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1C ZINC000754834069 621536132 /nfs/dbraw/zinc/53/61/32/621536132.db2.gz OBGCPVDONDFZHS-CGTJXYLNSA-N 1 0 301.430 3.441 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)c2cnn(C)c2)c1O ZINC000754869577 621538885 /nfs/dbraw/zinc/53/88/85/621538885.db2.gz BMOGGVBJYJFTQF-UHFFFAOYSA-N 1 0 321.808 3.007 20 10 DGCDRO CCN(CC[NH2+]Cc1c(O)cccc1Cl)CCC(F)(F)F ZINC000755221543 621559710 /nfs/dbraw/zinc/55/97/10/621559710.db2.gz ZUWNHUDSWHKTAX-UHFFFAOYSA-N 1 0 324.774 3.410 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@]1(C)CCCS1 ZINC000862214502 621562568 /nfs/dbraw/zinc/56/25/68/621562568.db2.gz SXDMURZJTVRUNE-SFHVURJKSA-N 1 0 320.502 3.241 20 10 DGCDRO CN(C)c1cc(F)c(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1F ZINC000862239184 621565576 /nfs/dbraw/zinc/56/55/76/621565576.db2.gz YFVDGMXKVSMQRM-HNNXBMFYSA-N 1 0 323.431 3.091 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1F ZINC000862252419 621568112 /nfs/dbraw/zinc/56/81/12/621568112.db2.gz TWJVLSKDOZJSIH-WBMJQRKESA-N 1 0 310.388 3.032 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(F)c(F)c2N(C)C)c1O ZINC000862366202 621579471 /nfs/dbraw/zinc/57/94/71/621579471.db2.gz DEMXYRNVEUXSPU-UHFFFAOYSA-N 1 0 322.355 3.035 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC1(C)C ZINC000862385680 621582324 /nfs/dbraw/zinc/58/23/24/621582324.db2.gz AWHJFVBUVYFRAM-INIZCTEOSA-N 1 0 312.404 3.278 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@]3(C)CCCS3)C2)cc1 ZINC000862397152 621584403 /nfs/dbraw/zinc/58/44/03/621584403.db2.gz CAEJWRZJCYHMLP-CRAIPNDOSA-N 1 0 320.502 3.397 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCS1 ZINC000862417943 621587513 /nfs/dbraw/zinc/58/75/13/621587513.db2.gz IZOGAUHSRWFXBQ-SFHVURJKSA-N 1 0 320.502 3.023 20 10 DGCDRO CN1C[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)CCC1=O ZINC000862428438 621588616 /nfs/dbraw/zinc/58/86/16/621588616.db2.gz QGHFIPAJGMOBKB-SFHVURJKSA-N 1 0 324.424 3.112 20 10 DGCDRO O=C1C[C@@]2(CCC[N@@H+](Cc3ccccc3O)C2)Oc2ccccc21 ZINC000862481501 621593394 /nfs/dbraw/zinc/59/33/94/621593394.db2.gz IDQQZNLTUOBIQQ-HXUWFJFHSA-N 1 0 323.392 3.392 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485138 621594929 /nfs/dbraw/zinc/59/49/29/621594929.db2.gz HSBDAWPSZCKOBZ-DOMZBBRYSA-N 1 0 323.408 3.331 20 10 DGCDRO CCOc1cccc(C[NH2+]C2(CC(=O)OC)CCCCC2)c1O ZINC000756132418 621617133 /nfs/dbraw/zinc/61/71/33/621617133.db2.gz NRXLVZGEMUSEDW-UHFFFAOYSA-N 1 0 321.417 3.147 20 10 DGCDRO C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756363660 621631403 /nfs/dbraw/zinc/63/14/03/621631403.db2.gz QCZQDTLRLTUVAM-KBPBESRZSA-N 1 0 321.421 3.216 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c(O)c1C ZINC000756366919 621631807 /nfs/dbraw/zinc/63/18/07/621631807.db2.gz JUANYQXQYQYYDI-FUHWJXTLSA-N 1 0 320.477 3.016 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cc(Cl)ccc1O ZINC000756396763 621635123 /nfs/dbraw/zinc/63/51/23/621635123.db2.gz JZTLUIIYICIXTO-TZMCWYRMSA-N 1 0 321.804 3.136 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c(O)c1C ZINC000756394835 621635173 /nfs/dbraw/zinc/63/51/73/621635173.db2.gz AHWUKSWOGAUOEI-JKSUJKDBSA-N 1 0 315.413 3.100 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(Br)cc1O ZINC000756398170 621635541 /nfs/dbraw/zinc/63/55/41/621635541.db2.gz CNYPIHWMNKCWNA-ZYHUDNBSSA-N 1 0 314.223 3.374 20 10 DGCDRO COc1cccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)c1OC ZINC000756420079 621637348 /nfs/dbraw/zinc/63/73/48/621637348.db2.gz BCSGGKRIQABORG-LBPRGKRZSA-N 1 0 319.376 3.442 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CO)c2c1c(F)ccc2O ZINC000756459502 621639971 /nfs/dbraw/zinc/63/99/71/621639971.db2.gz ORKDJHMXMWKENR-ABAIWWIYSA-N 1 0 301.361 3.362 20 10 DGCDRO CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756532808 621645617 /nfs/dbraw/zinc/64/56/17/621645617.db2.gz GJQVKXUEKSIRQT-GFCCVEGCSA-N 1 0 312.404 3.443 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756546346 621646390 /nfs/dbraw/zinc/64/63/90/621646390.db2.gz OWFDCATVSIKMCA-QWHCGFSZSA-N 1 0 312.404 3.441 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000756556918 621648308 /nfs/dbraw/zinc/64/83/08/621648308.db2.gz XROPAQCIIFPGCY-RDTXWAMCSA-N 1 0 314.473 3.406 20 10 DGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)C(C)C ZINC000756628569 621653540 /nfs/dbraw/zinc/65/35/40/621653540.db2.gz WISXNNGTXOWHFM-IINYFYTJSA-N 1 0 316.239 3.476 20 10 DGCDRO COC(C)(C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756648127 621655462 /nfs/dbraw/zinc/65/54/62/621655462.db2.gz YVQHEJHAIVLCNS-SECBINFHSA-N 1 0 302.212 3.230 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c2c1c(F)ccc2O ZINC000756644443 621655791 /nfs/dbraw/zinc/65/57/91/621655791.db2.gz AGGLJAWMJFRHEW-PKIAMQTDSA-N 1 0 304.409 3.152 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c(O)c1C ZINC000756662221 621657027 /nfs/dbraw/zinc/65/70/27/621657027.db2.gz YVWDJCGUIXDKAO-MAUKXSAKSA-N 1 0 324.424 3.465 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1 ZINC000756661232 621657054 /nfs/dbraw/zinc/65/70/54/621657054.db2.gz ZHISBLNFKOWEHD-ZBFHGGJFSA-N 1 0 316.445 3.142 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1 ZINC000756661226 621657252 /nfs/dbraw/zinc/65/72/52/621657252.db2.gz ZHISBLNFKOWEHD-HOCLYGCPSA-N 1 0 316.445 3.142 20 10 DGCDRO CCn1cnnc1CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000756732787 621661334 /nfs/dbraw/zinc/66/13/34/621661334.db2.gz LYGCBQHMCIYAKI-ZDUSSCGKSA-N 1 0 310.401 3.050 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2sccc2C)c1 ZINC000756736012 621661700 /nfs/dbraw/zinc/66/17/00/621661700.db2.gz KKTQOCIMUKFRPD-SMDDNHRTSA-N 1 0 307.415 3.155 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000756742835 621661899 /nfs/dbraw/zinc/66/18/99/621661899.db2.gz PSWHXHNTXPPNHK-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO C[C@H](CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[S@@](C)=O ZINC000756763193 621662761 /nfs/dbraw/zinc/66/27/61/621662761.db2.gz VHLFSKYDFBAORW-RRMDADRESA-N 1 0 309.475 3.079 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCCN2C(C)C)c1 ZINC000756763128 621662818 /nfs/dbraw/zinc/66/28/18/621662818.db2.gz YZRYWCLGIPQEHA-LSDHHAIUSA-N 1 0 306.450 3.314 20 10 DGCDRO Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)[nH]n1 ZINC000756764333 621662880 /nfs/dbraw/zinc/66/28/80/621662880.db2.gz GGSHYFICUVYOAF-PKFCDNJMSA-N 1 0 303.381 3.332 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)n2)c2c1c(F)ccc2O ZINC000756770275 621663254 /nfs/dbraw/zinc/66/32/54/621663254.db2.gz VTVSXOOMLYOEDW-RISCZKNCSA-N 1 0 315.392 3.330 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)c2c1c(F)ccc2O ZINC000756788876 621664806 /nfs/dbraw/zinc/66/48/06/621664806.db2.gz FVWAVODJYRPWPN-BLLLJJGKSA-N 1 0 315.388 3.404 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC12CCC(CC1)C2 ZINC000756988666 621677954 /nfs/dbraw/zinc/67/79/54/621677954.db2.gz BUNKLFRYSPBQDT-UHFFFAOYSA-N 1 0 300.446 3.193 20 10 DGCDRO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000863545397 621682465 /nfs/dbraw/zinc/68/24/65/621682465.db2.gz QRLUIVGEWXFPEZ-RYRKJORJSA-N 1 0 301.478 3.468 20 10 DGCDRO CC[C@@H]([NH2+]CCOCCC[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000863547988 621683224 /nfs/dbraw/zinc/68/32/24/621683224.db2.gz SWUSQPLGPIZQJJ-CYBMUJFWSA-N 1 0 321.248 3.105 20 10 DGCDRO [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646019 621693209 /nfs/dbraw/zinc/69/32/09/621693209.db2.gz FTUBLRIYCZKJLP-PWSUYJOCSA-N 1 0 322.758 3.005 20 10 DGCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000839641616 621706922 /nfs/dbraw/zinc/70/69/22/621706922.db2.gz WRYLGORCBXYRMB-GTNSWQLSSA-N 1 0 309.381 3.027 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)OC)c(O)c1 ZINC000757801866 621740763 /nfs/dbraw/zinc/74/07/63/621740763.db2.gz YBUKBGBATNJDPH-YJBOKZPZSA-N 1 0 321.417 3.002 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1O ZINC000758288844 621773159 /nfs/dbraw/zinc/77/31/59/621773159.db2.gz GDESETPCOCBVFN-GOSISDBHSA-N 1 0 319.445 3.490 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC3(C)CCOCC3)CC2)cc1 ZINC000758302714 621773998 /nfs/dbraw/zinc/77/39/98/621773998.db2.gz YIBRVWNXOALRBI-UHFFFAOYSA-N 1 0 318.461 3.070 20 10 DGCDRO CCOCc1cc(C[NH2+]CC[C@@H]2CCSC2)ccc1OC ZINC000865654724 621972177 /nfs/dbraw/zinc/97/21/77/621972177.db2.gz TVOBFBHCJAPTRB-CQSZACIVSA-N 1 0 309.475 3.465 20 10 DGCDRO CC(C)(C)OC1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000865697717 621979815 /nfs/dbraw/zinc/97/98/15/621979815.db2.gz CKPSOSWPPBUMNF-UHFFFAOYSA-N 1 0 321.417 3.337 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCC(C)(C)OC)CC2)cc1 ZINC000865754002 621988996 /nfs/dbraw/zinc/98/89/96/621988996.db2.gz BIBXIBXLQZGMFH-UHFFFAOYSA-N 1 0 306.450 3.069 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1O ZINC000865762563 621991011 /nfs/dbraw/zinc/99/10/11/621991011.db2.gz QRMSYPOBRSUMMX-WBVHZDCISA-N 1 0 305.418 3.086 20 10 DGCDRO CC[C@@H]1C[C@H](CN(C)c2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000761222685 621995819 /nfs/dbraw/zinc/99/58/19/621995819.db2.gz LHTFZXZEVSESIV-SJLPKXTDSA-N 1 0 320.477 3.268 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(Br)cn2)cc1C ZINC000865811866 622000034 /nfs/dbraw/zinc/00/00/34/622000034.db2.gz YTCFPRFBVFOXSZ-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)OCO2 ZINC000865832828 622003256 /nfs/dbraw/zinc/00/32/56/622003256.db2.gz YHRVHUFIUAWANP-GHMZBOCLSA-N 1 0 315.291 3.108 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)c2ccnn2C)c(O)c(C(C)(C)C)c1 ZINC000865837513 622004541 /nfs/dbraw/zinc/00/45/41/622004541.db2.gz HIFZWJQYZRVINS-LBPRGKRZSA-N 1 0 317.433 3.283 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000866227984 622070440 /nfs/dbraw/zinc/07/04/40/622070440.db2.gz DNGCHOZMEINEGH-FHWLQOOXSA-N 1 0 312.457 3.334 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCOCC(=O)OC(C)(C)C)c(O)c1C ZINC000866438590 622118573 /nfs/dbraw/zinc/11/85/73/622118573.db2.gz ZFNKVBRIYRCNIJ-AWEZNQCLSA-N 1 0 323.433 3.018 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1 ZINC000866444831 622119598 /nfs/dbraw/zinc/11/95/98/622119598.db2.gz KORJKWXVXNENAP-DGARUKMUSA-N 1 0 300.446 3.217 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000866463017 622122303 /nfs/dbraw/zinc/12/23/03/622122303.db2.gz GKOPXZNQQBBSNR-YHAQOWFVSA-N 1 0 317.351 3.233 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC000866478231 622124265 /nfs/dbraw/zinc/12/42/65/622124265.db2.gz IGKDWANITFSGSR-AWEZNQCLSA-N 1 0 318.392 3.415 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000866491741 622126886 /nfs/dbraw/zinc/12/68/86/622126886.db2.gz XHELUQQRFSUASV-RZAIGCCYSA-N 1 0 305.418 3.399 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000866512460 622130356 /nfs/dbraw/zinc/13/03/56/622130356.db2.gz KWNRVTUPUFCJBF-WRSAYESZSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2c3ccccc3CN2C)c1O ZINC000866561899 622138430 /nfs/dbraw/zinc/13/84/30/622138430.db2.gz AYTSOBBOVGTRFV-DYVFJYSZSA-N 1 0 312.413 3.238 20 10 DGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000866634208 622150716 /nfs/dbraw/zinc/15/07/16/622150716.db2.gz BYSATZOLZVAMKV-JBLDHEPKSA-N 1 0 316.239 3.355 20 10 DGCDRO C[NH2+]CCCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000121618738 622167098 /nfs/dbraw/zinc/16/70/98/622167098.db2.gz MOCAUGJTJFBXIT-UHFFFAOYSA-N 1 0 319.836 3.087 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000764610132 622207343 /nfs/dbraw/zinc/20/73/43/622207343.db2.gz MUUJNNAHMQMSIR-KRWDZBQOSA-N 1 0 318.461 3.395 20 10 DGCDRO C[C@@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1O ZINC000868176499 622222354 /nfs/dbraw/zinc/22/23/54/622222354.db2.gz PJIVUGURGOASIJ-XFBWCDHKSA-N 1 0 311.385 3.090 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000764980131 622237348 /nfs/dbraw/zinc/23/73/48/622237348.db2.gz QFYOCTBJUIJKAU-QGZVFWFLSA-N 1 0 321.804 3.052 20 10 DGCDRO CC[C@H]([NH2+]CCCCn1ccnc1)c1ccc(N(C)C)cc1 ZINC000765258383 622254890 /nfs/dbraw/zinc/25/48/90/622254890.db2.gz LAQUTEBGJCCTIF-SFHVURJKSA-N 1 0 300.450 3.470 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765289825 622256892 /nfs/dbraw/zinc/25/68/92/622256892.db2.gz ORTGAOUGGPPRKO-WMZOPIPTSA-N 1 0 312.457 3.254 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765289822 622256908 /nfs/dbraw/zinc/25/69/08/622256908.db2.gz ORTGAOUGGPPRKO-AEFFLSMTSA-N 1 0 312.457 3.254 20 10 DGCDRO COC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765331703 622259749 /nfs/dbraw/zinc/25/97/49/622259749.db2.gz TZGBPCWDUMFFFO-FUHWJXTLSA-N 1 0 320.477 3.235 20 10 DGCDRO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000765658677 622280424 /nfs/dbraw/zinc/28/04/24/622280424.db2.gz IXBPONCOMXBHGY-CYBMUJFWSA-N 1 0 300.450 3.437 20 10 DGCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000766360888 622324217 /nfs/dbraw/zinc/32/42/17/622324217.db2.gz OVVCGHOXEUUICE-CVEARBPZSA-N 1 0 320.477 3.051 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)c1O ZINC000767418143 622397332 /nfs/dbraw/zinc/39/73/32/622397332.db2.gz UQNPYRBVRYJGSX-UHFFFAOYSA-N 1 0 316.401 3.263 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cccc1Cl ZINC000768198513 622444724 /nfs/dbraw/zinc/44/47/24/622444724.db2.gz URWCMCRFEKLEEO-UHFFFAOYSA-N 1 0 305.761 3.406 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cn(C)nc2C)cc1 ZINC000768208947 622445490 /nfs/dbraw/zinc/44/54/90/622445490.db2.gz WGWTVYUWUJSXQH-UHFFFAOYSA-N 1 0 300.450 3.207 20 10 DGCDRO CC1CC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000768226000 622445877 /nfs/dbraw/zinc/44/58/77/622445877.db2.gz XPTBWPYWRIPDLK-DSSZZKGTSA-N 1 0 308.853 3.398 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@H+](CC)CC(=O)N(C)C)cc1 ZINC000768308969 622449690 /nfs/dbraw/zinc/44/96/90/622449690.db2.gz VKYDIGONBGTDPP-UHFFFAOYSA-N 1 0 319.493 3.223 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccc1)[C@H](O)CO2 ZINC000768441434 622456467 /nfs/dbraw/zinc/45/64/67/622456467.db2.gz LNUKAKRRNSFNSB-SJLPKXTDSA-N 1 0 311.381 3.155 20 10 DGCDRO COc1cc(CN2CCC[C@H]2C[NH+]2CCCCC2)c(O)cc1C ZINC000768446283 622456664 /nfs/dbraw/zinc/45/66/64/622456664.db2.gz JHMZLRFRUURMQG-KRWDZBQOSA-N 1 0 318.461 3.160 20 10 DGCDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768446239 622456842 /nfs/dbraw/zinc/45/68/42/622456842.db2.gz LROPACMFOGHOBO-WMLDXEAASA-N 1 0 319.445 3.466 20 10 DGCDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465572 622458149 /nfs/dbraw/zinc/45/81/49/622458149.db2.gz ISCJFYYHZFJIRK-VMGRFDJRSA-N 1 0 305.418 3.219 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC(C3CCCC3)CC1)[C@H](O)CO2 ZINC000768466692 622458757 /nfs/dbraw/zinc/45/87/57/622458757.db2.gz UUQYZIKDJNUJIV-GOSISDBHSA-N 1 0 317.429 3.220 20 10 DGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000768782262 622476937 /nfs/dbraw/zinc/47/69/37/622476937.db2.gz CIPFLUYUIAEQFC-UHFFFAOYSA-N 1 0 319.788 3.464 20 10 DGCDRO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000768929532 622486085 /nfs/dbraw/zinc/48/60/85/622486085.db2.gz IXRPWMNWGRBSST-GFCCVEGCSA-N 1 0 313.353 3.077 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000769159453 622503561 /nfs/dbraw/zinc/50/35/61/622503561.db2.gz CCRUILBRVBFFLU-HXUWFJFHSA-N 1 0 313.489 3.347 20 10 DGCDRO CN(C)c1ccc(CN2CCC[N@@H+](C(C)(C)C)CC2)cc1F ZINC000769189936 622506916 /nfs/dbraw/zinc/50/69/16/622506916.db2.gz YHTDTQMQCXCLFZ-UHFFFAOYSA-N 1 0 307.457 3.198 20 10 DGCDRO CC1(C)CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769310766 622516160 /nfs/dbraw/zinc/51/61/60/622516160.db2.gz YQXRXFAFFOXGOK-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000769403243 622525200 /nfs/dbraw/zinc/52/52/00/622525200.db2.gz BCNDAVHUXUKDSY-UHFFFAOYSA-N 1 0 318.461 3.450 20 10 DGCDRO C[C@H]1SCC[N@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC000769447012 622528455 /nfs/dbraw/zinc/52/84/55/622528455.db2.gz RLYCYXKKQUFTJO-NXEZZACHSA-N 1 0 316.264 3.481 20 10 DGCDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769484603 622533140 /nfs/dbraw/zinc/53/31/40/622533140.db2.gz XMWYCEYSRIVUCQ-KRWDZBQOSA-N 1 0 322.452 3.470 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(N(C)CC(F)F)CC2)cc1C ZINC000769507966 622535456 /nfs/dbraw/zinc/53/54/56/622535456.db2.gz AWGWKOXFDBUQCP-UHFFFAOYSA-N 1 0 312.404 3.170 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000769516960 622537152 /nfs/dbraw/zinc/53/71/52/622537152.db2.gz WOLMVMUJHLBELL-QGZVFWFLSA-N 1 0 319.468 3.055 20 10 DGCDRO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871204422 622568035 /nfs/dbraw/zinc/56/80/35/622568035.db2.gz IQAYDOFDMMIZPY-QGZVFWFLSA-N 1 0 314.429 3.032 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1F ZINC000770292664 622618868 /nfs/dbraw/zinc/61/88/68/622618868.db2.gz NWZRPDGJWHXJIU-YJBOKZPZSA-N 1 0 308.441 3.265 20 10 DGCDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1cccc(OC)c1O ZINC000770353766 622623806 /nfs/dbraw/zinc/62/38/06/622623806.db2.gz ULPQTLAUAJYDLQ-HOTGVXAUSA-N 1 0 307.434 3.426 20 10 DGCDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cccc(OC)c1O ZINC000770353767 622623888 /nfs/dbraw/zinc/62/38/88/622623888.db2.gz ULPQTLAUAJYDLQ-HZPDHXFCSA-N 1 0 307.434 3.426 20 10 DGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2c(O)cccc2OC)C12CCC2 ZINC000770351756 622624290 /nfs/dbraw/zinc/62/42/90/622624290.db2.gz KQPQYVYPOSCQHC-IRXDYDNUSA-N 1 0 305.418 3.180 20 10 DGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(O)cccc2OC)C12CCC2 ZINC000770351752 622624347 /nfs/dbraw/zinc/62/43/47/622624347.db2.gz KQPQYVYPOSCQHC-DLBZAZTESA-N 1 0 305.418 3.180 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)CCc3cnccn3)c2c1 ZINC000770662726 622657702 /nfs/dbraw/zinc/65/77/02/622657702.db2.gz XQFHOHFKWHDEAH-UHFFFAOYSA-N 1 0 323.396 3.019 20 10 DGCDRO C[NH+]1CCN(c2ccc(-c3nc4c(cccc4F)[nH]3)cc2)CC1 ZINC000771515230 622770981 /nfs/dbraw/zinc/77/09/81/622770981.db2.gz ZFEGVWAVKOHQFX-UHFFFAOYSA-N 1 0 310.376 3.121 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCOC(C)(C)C3)C2)cc1 ZINC000872079648 622794117 /nfs/dbraw/zinc/79/41/17/622794117.db2.gz JVOMEQFHABNARE-JKSUJKDBSA-N 1 0 318.461 3.069 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)CC2 ZINC000872110492 622812772 /nfs/dbraw/zinc/81/27/72/622812772.db2.gz JMEBOEOUFUXTEA-VIFPVBQESA-N 1 0 311.250 3.141 20 10 DGCDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc2c(cc1O)CCCC2 ZINC000872111643 622813463 /nfs/dbraw/zinc/81/34/63/622813463.db2.gz FLPQNRVPWWAUIA-KGLIPLIRSA-N 1 0 317.429 3.265 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000773069330 622977895 /nfs/dbraw/zinc/97/78/95/622977895.db2.gz AZQRGAYPJRXSKZ-AWEZNQCLSA-N 1 0 308.441 3.485 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1O ZINC000773262209 623005998 /nfs/dbraw/zinc/00/59/98/623005998.db2.gz OIZHEZOGFOTEFZ-HZPDHXFCSA-N 1 0 319.445 3.348 20 10 DGCDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000873036728 623023409 /nfs/dbraw/zinc/02/34/09/623023409.db2.gz YLDCHXZREUIYRZ-UHFFFAOYSA-N 1 0 312.369 3.436 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2CCN(C(C)=O)CC2)cc1C ZINC000873046896 623025046 /nfs/dbraw/zinc/02/50/46/623025046.db2.gz UFTWBNKLTSRSFQ-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)CO[C@@H]2CCOC2)cc1C ZINC000873074265 623031230 /nfs/dbraw/zinc/03/12/30/623031230.db2.gz KSICRADSPSCWDT-DOTOQJQBSA-N 1 0 307.434 3.067 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(C)n(C)c2=O)cc1C ZINC000873115985 623039816 /nfs/dbraw/zinc/03/98/16/623039816.db2.gz XZPRTQKGPQVQLT-UHFFFAOYSA-N 1 0 314.429 3.081 20 10 DGCDRO COc1ccc(C[NH2+]CCCC(C)(F)F)cc1Cn1cccn1 ZINC000873128703 623041837 /nfs/dbraw/zinc/04/18/37/623041837.db2.gz AJGYFSGEZIBXCE-UHFFFAOYSA-N 1 0 323.387 3.465 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2F)cc1Cn1cccn1 ZINC000873149314 623050035 /nfs/dbraw/zinc/05/00/35/623050035.db2.gz CATQGESRXOCBGP-DLBZAZTESA-N 1 0 317.408 3.310 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1 ZINC000873155689 623054864 /nfs/dbraw/zinc/05/48/64/623054864.db2.gz OVXBJGZPENKMRU-PMSLMXJFSA-N 1 0 300.446 3.313 20 10 DGCDRO CCC[NH+]1CCC([N@H+](C)Cc2ccc(N(C)CC)cc2)CC1 ZINC000773752485 623067724 /nfs/dbraw/zinc/06/77/24/623067724.db2.gz CHAYIQUPLFJXFQ-UHFFFAOYSA-N 1 0 303.494 3.449 20 10 DGCDRO CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753300 623067789 /nfs/dbraw/zinc/06/77/89/623067789.db2.gz FPKRKPBNANIQNY-SFHVURJKSA-N 1 0 303.494 3.306 20 10 DGCDRO CCN(C)c1ccc(CN2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000773754265 623068986 /nfs/dbraw/zinc/06/89/86/623068986.db2.gz LNRHVJZNFJPIJT-GOSISDBHSA-N 1 0 303.494 3.306 20 10 DGCDRO CCN(C)c1ccc(C[NH2+]C(CC)(CC)CC(=O)OC)cc1 ZINC000773775416 623072295 /nfs/dbraw/zinc/07/22/95/623072295.db2.gz IDMICQCTWHPUCQ-UHFFFAOYSA-N 1 0 306.450 3.354 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1cc(Cl)ccc1O ZINC000775484802 623278726 /nfs/dbraw/zinc/27/87/26/623278726.db2.gz JFBHAGIUZYQMAZ-HNNXBMFYSA-N 1 0 310.825 3.097 20 10 DGCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Cl)ccc1O ZINC000775485751 623278760 /nfs/dbraw/zinc/27/87/60/623278760.db2.gz ZPNJXHRFAADKJI-CYBMUJFWSA-N 1 0 322.792 3.109 20 10 DGCDRO CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cc(Cl)ccc1O ZINC000775502614 623281439 /nfs/dbraw/zinc/28/14/39/623281439.db2.gz UQXPGCDIQLYMAJ-MRXNPFEDSA-N 1 0 324.852 3.345 20 10 DGCDRO CC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Cl)ccc1O ZINC000775506479 623281463 /nfs/dbraw/zinc/28/14/63/623281463.db2.gz AEADNBVHSUYJQF-ZDUSSCGKSA-N 1 0 310.825 3.132 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccccc1O ZINC000775504319 623281804 /nfs/dbraw/zinc/28/18/04/623281804.db2.gz XKDWXNWWDHYGRK-SJLPKXTDSA-N 1 0 318.461 3.076 20 10 DGCDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000775579835 623292887 /nfs/dbraw/zinc/29/28/87/623292887.db2.gz PQSUIANVDXXLES-KKUMJFAQSA-N 1 0 320.433 3.218 20 10 DGCDRO Cc1cc(Cl)cc(CN2CC[NH+](C3CCCC3)CC2)c1O ZINC000775648512 623303105 /nfs/dbraw/zinc/30/31/05/623303105.db2.gz VTLLGIHJCXFLCY-UHFFFAOYSA-N 1 0 308.853 3.414 20 10 DGCDRO CCCNC(=O)C[N@H+](CCC)Cc1cc(Cl)cc(C)c1O ZINC000775659101 623307884 /nfs/dbraw/zinc/30/78/84/623307884.db2.gz WVCCSFXDBGSSHH-UHFFFAOYSA-N 1 0 312.841 3.092 20 10 DGCDRO C[NH+](C)CCC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775663087 623308643 /nfs/dbraw/zinc/30/86/43/623308643.db2.gz KBMHSYAXTJRFHE-UHFFFAOYSA-N 1 0 314.832 3.348 20 10 DGCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000775709590 623316934 /nfs/dbraw/zinc/31/69/34/623316934.db2.gz VBFRRGMQPQGXQD-SFHVURJKSA-N 1 0 324.424 3.328 20 10 DGCDRO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775837448 623339545 /nfs/dbraw/zinc/33/95/45/623339545.db2.gz SRCBKJJVHOJDGK-CVEARBPZSA-N 1 0 319.493 3.296 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CN1C ZINC000775987746 623361271 /nfs/dbraw/zinc/36/12/71/623361271.db2.gz WFESPXFEXNVRAX-IRXDYDNUSA-N 1 0 301.478 3.201 20 10 DGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775997422 623362616 /nfs/dbraw/zinc/36/26/16/623362616.db2.gz ASMWQYAPVBYOEU-RHSMWYFYSA-N 1 0 306.425 3.283 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC000776156605 623384541 /nfs/dbraw/zinc/38/45/41/623384541.db2.gz LUCQJVYAWGSTQX-ROUUACIJSA-N 1 0 302.462 3.498 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000776231984 623400136 /nfs/dbraw/zinc/40/01/36/623400136.db2.gz RZYFVVKACJSHQG-MRXNPFEDSA-N 1 0 303.406 3.011 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000776354005 623416057 /nfs/dbraw/zinc/41/60/57/623416057.db2.gz UMABWKRZACCGNU-UHFFFAOYSA-N 1 0 304.415 3.026 20 10 DGCDRO CCC1(CC)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000776771656 623461196 /nfs/dbraw/zinc/46/11/96/623461196.db2.gz LPHLURXJYXLNTM-MRXNPFEDSA-N 1 0 305.418 3.220 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000776769900 623461629 /nfs/dbraw/zinc/46/16/29/623461629.db2.gz ZAUJHYSSKSELBE-SFHVURJKSA-N 1 0 312.413 3.331 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)c(O)c(C(C)(C)C)c1 ZINC000776774376 623462694 /nfs/dbraw/zinc/46/26/94/623462694.db2.gz BSZMLUCPUYXUPA-HNNXBMFYSA-N 1 0 314.433 3.037 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000777012294 623485649 /nfs/dbraw/zinc/48/56/49/623485649.db2.gz PCYBNDGKFMKGFQ-KGLIPLIRSA-N 1 0 304.356 3.371 20 10 DGCDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000777149492 623500941 /nfs/dbraw/zinc/50/09/41/623500941.db2.gz OFAYZYYPTMGXNF-CYBMUJFWSA-N 1 0 304.409 3.256 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000777220970 623506624 /nfs/dbraw/zinc/50/66/24/623506624.db2.gz WZUULJQUZYEFQW-LLVKDONJSA-N 1 0 312.841 3.089 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000777551174 623540887 /nfs/dbraw/zinc/54/08/87/623540887.db2.gz LOWVKMAJTRPVJX-MRXNPFEDSA-N 1 0 312.413 3.331 20 10 DGCDRO COc1cc2c(cc1OC)C[N@H+](Cc1c(C)cccc1O)CC2 ZINC000876531981 623635402 /nfs/dbraw/zinc/63/54/02/623635402.db2.gz WHOZYZBPTHQXIA-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000876534671 623636515 /nfs/dbraw/zinc/63/65/15/623636515.db2.gz FPEUYPQDZXFMKO-UHFFFAOYSA-N 1 0 314.429 3.181 20 10 DGCDRO CSC(C)(C)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000876551087 623641839 /nfs/dbraw/zinc/64/18/39/623641839.db2.gz JUYBDWIUALSREG-UHFFFAOYSA-N 1 0 322.518 3.487 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(Cl)nn2)C2CC2)cc1 ZINC000876570542 623647802 /nfs/dbraw/zinc/64/78/02/623647802.db2.gz FVLUSQXABSEMIV-UHFFFAOYSA-N 1 0 316.836 3.361 20 10 DGCDRO CCCCCNC(=O)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876577907 623649492 /nfs/dbraw/zinc/64/94/92/623649492.db2.gz UJYBZJDWCDNYJY-UHFFFAOYSA-N 1 0 318.461 3.219 20 10 DGCDRO Cc1occc1C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876634747 623665763 /nfs/dbraw/zinc/66/57/63/623665763.db2.gz AVJPCNYYZMHZNR-UHFFFAOYSA-N 1 0 314.429 3.181 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000876657801 623672368 /nfs/dbraw/zinc/67/23/68/623672368.db2.gz RRKYMOUGSWJMOR-HOTGVXAUSA-N 1 0 302.462 3.268 20 10 DGCDRO CCCn1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)nn1 ZINC000876722416 623689658 /nfs/dbraw/zinc/68/96/58/623689658.db2.gz UJEXCUGCMOYDIG-UHFFFAOYSA-N 1 0 314.433 3.339 20 10 DGCDRO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(F)ccc1O ZINC000779035399 623723987 /nfs/dbraw/zinc/72/39/87/623723987.db2.gz ZJAZMWONOHSJQV-SGTLLEGYSA-N 1 0 301.361 3.355 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)CO)c1O ZINC000779039954 623724234 /nfs/dbraw/zinc/72/42/34/623724234.db2.gz TWMSXTGUFPAKMX-SNVBAGLBSA-N 1 0 316.239 3.132 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)c1O ZINC000779050363 623724499 /nfs/dbraw/zinc/72/44/99/623724499.db2.gz OUNVRXJUIJPOGJ-DCAQKATOSA-N 1 0 316.239 3.273 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c(O)c1 ZINC000876883814 623735444 /nfs/dbraw/zinc/73/54/44/623735444.db2.gz BZSCHRRDYAGAMD-KRWDZBQOSA-N 1 0 302.393 3.232 20 10 DGCDRO CCCNC(=O)C1([NH2+]Cc2ccc(OC)c(C)c2)CCCCC1 ZINC000779169725 623738574 /nfs/dbraw/zinc/73/85/74/623738574.db2.gz RZFJRDLBOQZSFV-UHFFFAOYSA-N 1 0 318.461 3.322 20 10 DGCDRO CC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000876897624 623738937 /nfs/dbraw/zinc/73/89/37/623738937.db2.gz FTIQAGBWNJSVOW-UHFFFAOYSA-N 1 0 302.462 3.460 20 10 DGCDRO COc1cc2c(cc1C[NH2+]Cc1ccc(C)cc1O)O[C@@H](C)C2 ZINC000876924354 623745183 /nfs/dbraw/zinc/74/51/83/623745183.db2.gz PWUXTEKJHCUHQQ-ZDUSSCGKSA-N 1 0 313.397 3.322 20 10 DGCDRO COCCOc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1 ZINC000876928376 623746511 /nfs/dbraw/zinc/74/65/11/623746511.db2.gz BNIGVIOBSQBIPW-UHFFFAOYSA-N 1 0 301.386 3.016 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000876935694 623748601 /nfs/dbraw/zinc/74/86/01/623748601.db2.gz FTNFLWQPWVQFLQ-UHFFFAOYSA-N 1 0 311.429 3.376 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)c(O)c1 ZINC000876936566 623749136 /nfs/dbraw/zinc/74/91/36/623749136.db2.gz LIWZVCUPBFMAPD-UHFFFAOYSA-N 1 0 311.429 3.376 20 10 DGCDRO COc1cccc(CC[NH2+]Cc2ccc(C)cc2O)c1OC ZINC000876945707 623750953 /nfs/dbraw/zinc/75/09/53/623750953.db2.gz AJVYKLJYJRPLOE-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000876970210 623757430 /nfs/dbraw/zinc/75/74/30/623757430.db2.gz LGSLIDHCEVIJBQ-OAHLLOKOSA-N 1 0 314.404 3.456 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2c(C)cccc2O)c(OC)c1 ZINC000876988476 623760585 /nfs/dbraw/zinc/76/05/85/623760585.db2.gz HQKBZYWIEMCEPF-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)sn1 ZINC000876987151 623760602 /nfs/dbraw/zinc/76/06/02/623760602.db2.gz QLZRQPVYKRGUMG-AWEZNQCLSA-N 1 0 317.458 3.139 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1nnc2n1CCCCC2 ZINC000876995085 623762978 /nfs/dbraw/zinc/76/29/78/623762978.db2.gz ABXBAHPMTMGOFH-OAHLLOKOSA-N 1 0 314.433 3.259 20 10 DGCDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3c(C)cccc3O)C2)c1 ZINC000877004914 623764482 /nfs/dbraw/zinc/76/44/82/623764482.db2.gz NPCHJDGHMOQZDD-OAHLLOKOSA-N 1 0 312.413 3.078 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000877058211 623778682 /nfs/dbraw/zinc/77/86/82/623778682.db2.gz VFNQSPDDABYIFP-OAHLLOKOSA-N 1 0 309.768 3.316 20 10 DGCDRO COc1cc(C[C@@H](C)[NH2+]CCCSc2nccs2)ccn1 ZINC000877061371 623779412 /nfs/dbraw/zinc/77/94/12/623779412.db2.gz FYDYRYCRNXPBFE-GFCCVEGCSA-N 1 0 323.487 3.250 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC(C3CC3)C3CC3)cc2)CC1 ZINC000877072202 623784069 /nfs/dbraw/zinc/78/40/69/623784069.db2.gz YCCWFZANHBBNCS-UHFFFAOYSA-N 1 0 314.473 3.174 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000877130946 623799469 /nfs/dbraw/zinc/79/94/69/623799469.db2.gz VJPIMHFCFJGBIU-MRXNPFEDSA-N 1 0 309.768 3.316 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC000877163942 623812340 /nfs/dbraw/zinc/81/23/40/623812340.db2.gz WXFCHJZDCLJQRK-OAHLLOKOSA-N 1 0 320.433 3.094 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000877189316 623822842 /nfs/dbraw/zinc/82/28/42/623822842.db2.gz MKWRILKFOFTHNQ-GXTWGEPZSA-N 1 0 324.415 3.413 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](CCOC)c2ccco2)c(O)c1 ZINC000779990517 623846352 /nfs/dbraw/zinc/84/63/52/623846352.db2.gz HIBNHZORYGBTEZ-OAHLLOKOSA-N 1 0 305.374 3.251 20 10 DGCDRO Cc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c(O)c1 ZINC000877377600 623862152 /nfs/dbraw/zinc/86/21/52/623862152.db2.gz RISAZNDKQWHDBY-HNNXBMFYSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1cscc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877483082 623904545 /nfs/dbraw/zinc/90/45/45/623904545.db2.gz JNLCKRUGZNKZMX-UHFFFAOYSA-N 1 0 316.470 3.307 20 10 DGCDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531910 623927418 /nfs/dbraw/zinc/92/74/18/623927418.db2.gz ROBPSGBQKDDEEQ-MRXNPFEDSA-N 1 0 322.518 3.221 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000877533513 623928958 /nfs/dbraw/zinc/92/89/58/623928958.db2.gz QVMJFALXEZQXFZ-OAHLLOKOSA-N 1 0 305.805 3.220 20 10 DGCDRO Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(O)c1 ZINC000877561094 623941695 /nfs/dbraw/zinc/94/16/95/623941695.db2.gz HQHNCZYQKWJLJO-HKUYNNGSSA-N 1 0 315.388 3.001 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000877560851 623941700 /nfs/dbraw/zinc/94/17/00/623941700.db2.gz BWDWXOWUWZOEDU-PKOBYXMFSA-N 1 0 315.388 3.001 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc(C)cc1O)NC(=O)OC(C)(C)C ZINC000877561895 623942463 /nfs/dbraw/zinc/94/24/63/623942463.db2.gz MYGLXOYRHGTHBF-AWEZNQCLSA-N 1 0 308.422 3.094 20 10 DGCDRO CCOc1cccc(C[N@H+](CCO)Cc2c(C)cccc2O)c1 ZINC000877577542 623950656 /nfs/dbraw/zinc/95/06/56/623950656.db2.gz XNWBFYCKHMAYES-UHFFFAOYSA-N 1 0 315.413 3.094 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000780574521 623954345 /nfs/dbraw/zinc/95/43/45/623954345.db2.gz NFKYPWIRSZVTDX-CQSZACIVSA-N 1 0 303.333 3.153 20 10 DGCDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877590732 623954315 /nfs/dbraw/zinc/95/43/15/623954315.db2.gz FTAZHJKZCZYZIN-OAHLLOKOSA-N 1 0 302.462 3.268 20 10 DGCDRO CC1(C)CC(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000780592504 623957065 /nfs/dbraw/zinc/95/70/65/623957065.db2.gz YWQOAIMWEVWOBQ-UHFFFAOYSA-N 1 0 306.425 3.188 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](CC(C)C)OC)C2)cc1 ZINC000877598004 623957129 /nfs/dbraw/zinc/95/71/29/623957129.db2.gz FZRBJYIDEDKQPC-LPHOPBHVSA-N 1 0 320.477 3.172 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3nc4ccccc4o3)C2)cc1 ZINC000877620341 623966340 /nfs/dbraw/zinc/96/63/40/623966340.db2.gz GZXXFAOPFSYVDX-CQSZACIVSA-N 1 0 323.396 3.205 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCF)C3)cc2)CC1 ZINC000877631934 623970837 /nfs/dbraw/zinc/97/08/37/623970837.db2.gz WSKXZAMPBDRXPX-INIZCTEOSA-N 1 0 320.452 3.219 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCCC(F)(F)CC3)cc2)CC1 ZINC000877652588 623978605 /nfs/dbraw/zinc/97/86/05/623978605.db2.gz LHEROTOBVVRANV-UHFFFAOYSA-N 1 0 324.415 3.269 20 10 DGCDRO [O-]c1c(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)ccc(F)c1F ZINC000877653428 623979026 /nfs/dbraw/zinc/97/90/26/623979026.db2.gz KDYSHOYFOMDTQQ-SFHVURJKSA-N 1 0 319.351 3.154 20 10 DGCDRO CC1(c2ccc(C[NH2+]Cc3cc(F)ccc3O)cc2)OCCO1 ZINC000877667444 623983997 /nfs/dbraw/zinc/98/39/97/623983997.db2.gz GYEJEDRSYMGMSM-UHFFFAOYSA-N 1 0 317.360 3.041 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)c1O ZINC000877684620 623991634 /nfs/dbraw/zinc/99/16/34/623991634.db2.gz YSTIMBHKYVMNFY-CHWSQXEVSA-N 1 0 313.825 3.083 20 10 DGCDRO CCOc1ccc(O)c(CN2CCC(CC)([NH+](C)C)CC2)c1 ZINC000877690976 623994003 /nfs/dbraw/zinc/99/40/03/623994003.db2.gz XNAWXXZKPJYBMV-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO COC(=O)c1oc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1C ZINC000877694063 623994809 /nfs/dbraw/zinc/99/48/09/623994809.db2.gz YRVOGRCIMQDURS-UHFFFAOYSA-N 1 0 323.776 3.332 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000877713332 624002332 /nfs/dbraw/zinc/00/23/32/624002332.db2.gz GPKOZRISHCHJGW-MRXNPFEDSA-N 1 0 309.413 3.080 20 10 DGCDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC000877741268 624013686 /nfs/dbraw/zinc/01/36/86/624013686.db2.gz AEMUXDSNVKWFNY-ICSRJNTNSA-N 1 0 313.489 3.203 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1O ZINC000877755545 624021675 /nfs/dbraw/zinc/02/16/75/624021675.db2.gz DPIPZUCPRRTANS-RHSMWYFYSA-N 1 0 313.397 3.411 20 10 DGCDRO C[C@H]([NH2+]Cc1c(Cl)nc(Cl)n1C)c1ccccc1O ZINC000877757128 624022752 /nfs/dbraw/zinc/02/27/52/624022752.db2.gz IFDCVENHBXJOKA-QMMMGPOBSA-N 1 0 300.189 3.283 20 10 DGCDRO COc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877756435 624023106 /nfs/dbraw/zinc/02/31/06/624023106.db2.gz VVKANYVLWZFEHI-IBGZPJMESA-N 1 0 313.397 3.283 20 10 DGCDRO C[C@H]([NH2+]CC1(CNC(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000877758060 624023779 /nfs/dbraw/zinc/02/37/79/624023779.db2.gz HORXHBBDHZAFGU-ZDUSSCGKSA-N 1 0 320.433 3.348 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)c1O ZINC000877796331 624037243 /nfs/dbraw/zinc/03/72/43/624037243.db2.gz DDKSTYVBAKSYNF-LBPRGKRZSA-N 1 0 313.825 3.037 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCC[C@@H]3C=CCC3)cc2)CC1 ZINC000877805495 624040550 /nfs/dbraw/zinc/04/05/50/624040550.db2.gz JZWPFOHQFVYFCS-QGZVFWFLSA-N 1 0 314.473 3.484 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC000877825389 624058269 /nfs/dbraw/zinc/05/82/69/624058269.db2.gz ZLCYKFPBEHERSJ-BXUZGUMPSA-N 1 0 303.324 3.242 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](O)c1ccccc1 ZINC000877832175 624061564 /nfs/dbraw/zinc/06/15/64/624061564.db2.gz HLBYRNAPMJARMY-FUHWJXTLSA-N 1 0 301.386 3.003 20 10 DGCDRO C[C@H]([NH2+]CCCF)c1ccc(N2CCOCC2)cc1Cl ZINC000126950345 624198968 /nfs/dbraw/zinc/19/89/68/624198968.db2.gz MYZIREHDLMAPKR-LBPRGKRZSA-N 1 0 300.805 3.187 20 10 DGCDRO COc1cccc2c1CC[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000782290611 624233553 /nfs/dbraw/zinc/23/35/53/624233553.db2.gz HVUURDPDOLQJAP-UHFFFAOYSA-N 1 0 309.409 3.448 20 10 DGCDRO COCC[N@H+](Cc1cc(C(C)C)c(C)cc1O)[C@@H]1CCOC1 ZINC000782964400 624296362 /nfs/dbraw/zinc/29/63/62/624296362.db2.gz VCIGTYSAHADTAJ-MRXNPFEDSA-N 1 0 307.434 3.061 20 10 DGCDRO COCCOc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000783505997 624359918 /nfs/dbraw/zinc/35/99/18/624359918.db2.gz YEPOTPMWMJKNLD-AWEZNQCLSA-N 1 0 301.386 3.268 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000783735862 624389793 /nfs/dbraw/zinc/38/97/93/624389793.db2.gz UBXXJIGRWLIDDQ-MJGOQNOKSA-N 1 0 302.462 3.127 20 10 DGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000784005282 624419556 /nfs/dbraw/zinc/41/95/56/624419556.db2.gz KHRJPOOXYKZUKK-MRXNPFEDSA-N 1 0 312.413 3.189 20 10 DGCDRO Cc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)cc1 ZINC000784025010 624424153 /nfs/dbraw/zinc/42/41/53/624424153.db2.gz JBGHRUOABLOCOI-HNNXBMFYSA-N 1 0 311.381 3.419 20 10 DGCDRO COc1cccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648472 624620913 /nfs/dbraw/zinc/62/09/13/624620913.db2.gz QMCIKJTZNCMNLF-CYBMUJFWSA-N 1 0 314.385 3.080 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccccc1O ZINC000879647767 624621092 /nfs/dbraw/zinc/62/10/92/624621092.db2.gz KRYJZIQRRJYUSX-LLVKDONJSA-N 1 0 303.333 3.249 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1ccccc1O ZINC000879647526 624621313 /nfs/dbraw/zinc/62/13/13/624621313.db2.gz COUGPMPODFGINX-LSDHHAIUSA-N 1 0 324.424 3.411 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccccc1O ZINC000879650082 624622859 /nfs/dbraw/zinc/62/28/59/624622859.db2.gz ZXCQMSJMXKTYFX-XQLPTFJDSA-N 1 0 304.434 3.221 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000879651345 624624251 /nfs/dbraw/zinc/62/42/51/624624251.db2.gz RRZVNLWXYBDNPS-IJEWVQPXSA-N 1 0 304.434 3.080 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1O ZINC000879650621 624624354 /nfs/dbraw/zinc/62/43/54/624624354.db2.gz KBBIKOKXJJCUHR-HOTGVXAUSA-N 1 0 324.424 3.205 20 10 DGCDRO CC(C)N(C(=O)C[NH2+][C@@H](C)c1ccccc1O)C1CCCC1 ZINC000879651086 624624635 /nfs/dbraw/zinc/62/46/35/624624635.db2.gz HDYLWIMHTNONAI-AWEZNQCLSA-N 1 0 304.434 3.222 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccccc1O ZINC000879652371 624626053 /nfs/dbraw/zinc/62/60/53/624626053.db2.gz ZIVFGSXTDRHIGW-JSGCOSHPSA-N 1 0 321.804 3.136 20 10 DGCDRO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879652829 624626721 /nfs/dbraw/zinc/62/67/21/624626721.db2.gz ITBYCNKAXDQJPK-KKUMJFAQSA-N 1 0 304.434 3.222 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1CCc2ccccc21 ZINC000879652806 624626745 /nfs/dbraw/zinc/62/67/45/624626745.db2.gz IPNWASAOSJRRLV-UONOGXRCSA-N 1 0 310.397 3.021 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000785984463 624774824 /nfs/dbraw/zinc/77/48/24/624774824.db2.gz FKKZECOSGSCHGR-QGZVFWFLSA-N 1 0 316.445 3.114 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3nccs3)C2)c1O ZINC000880316820 624914446 /nfs/dbraw/zinc/91/44/46/624914446.db2.gz HTDDWQIXSQQIIT-NSHDSACASA-N 1 0 320.389 3.180 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H](OC)c2ccccc2)c1 ZINC000786861286 624959563 /nfs/dbraw/zinc/95/95/63/624959563.db2.gz UIMNOVUOKUGHEF-ACJLOTCBSA-N 1 0 301.386 3.267 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCOCC(F)F)cc1 ZINC000787152760 624984068 /nfs/dbraw/zinc/98/40/68/624984068.db2.gz ZYEUEGOVCGNFNT-UHFFFAOYSA-N 1 0 300.393 3.246 20 10 DGCDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788521788 625205635 /nfs/dbraw/zinc/20/56/35/625205635.db2.gz YPPOQHHHJGPPNU-AWEZNQCLSA-N 1 0 312.413 3.219 20 10 DGCDRO CCn1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1=O ZINC000788795594 625268241 /nfs/dbraw/zinc/26/82/41/625268241.db2.gz MLFFDMGOTGFNME-AWEZNQCLSA-N 1 0 300.402 3.041 20 10 DGCDRO C[NH+](C)CC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCCC1 ZINC000790985764 625731050 /nfs/dbraw/zinc/73/10/50/625731050.db2.gz BRODYUNABNUSME-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000130602212 625878998 /nfs/dbraw/zinc/87/89/98/625878998.db2.gz BGOLDTSIJUFFEU-MLGOLLRUSA-N 1 0 306.381 3.087 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)c1 ZINC000792193716 625923903 /nfs/dbraw/zinc/92/39/03/625923903.db2.gz YXNQRLQVCUCZRG-HOCLYGCPSA-N 1 0 307.434 3.428 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(C)(C)O ZINC000796277832 626034772 /nfs/dbraw/zinc/03/47/72/626034772.db2.gz JHEUCNPDNAXVLJ-INIZCTEOSA-N 1 0 324.468 3.498 20 10 DGCDRO CCCN(CC[NH+]1CCCC1)Cc1cc(F)cc(C(C)=O)c1O ZINC000796378388 626044521 /nfs/dbraw/zinc/04/45/21/626044521.db2.gz IXYHUMAJPRDTAW-UHFFFAOYSA-N 1 0 322.424 3.042 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)c1O ZINC000796492904 626056205 /nfs/dbraw/zinc/05/62/05/626056205.db2.gz YYXRHVVNSNVMRA-KBXCAEBGSA-N 1 0 315.413 3.311 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)c(O)c1 ZINC000796527665 626059212 /nfs/dbraw/zinc/05/92/12/626059212.db2.gz WPYOKEWNVXCAAH-SNVBAGLBSA-N 1 0 308.328 3.315 20 10 DGCDRO FC1(F)CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000797467950 626145253 /nfs/dbraw/zinc/14/52/53/626145253.db2.gz DBGSKPDBZZWWGY-HNNXBMFYSA-N 1 0 310.388 3.048 20 10 DGCDRO Oc1ccc(F)cc1CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798088232 626193366 /nfs/dbraw/zinc/19/33/66/626193366.db2.gz KPBZYSHLOITUFK-KRWDZBQOSA-N 1 0 306.425 3.418 20 10 DGCDRO C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182349 626200373 /nfs/dbraw/zinc/20/03/73/626200373.db2.gz HCQQGVMWXDBLIJ-LLVKDONJSA-N 1 0 316.367 3.403 20 10 DGCDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000798501531 626221573 /nfs/dbraw/zinc/22/15/73/626221573.db2.gz LMBAYYLIHTYZRD-CTYIDZIISA-N 1 0 311.381 3.465 20 10 DGCDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000798503539 626222161 /nfs/dbraw/zinc/22/21/61/626222161.db2.gz MINONYPEJQAYMC-GDBMZVCRSA-N 1 0 306.425 3.188 20 10 DGCDRO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000799149776 626275501 /nfs/dbraw/zinc/27/55/01/626275501.db2.gz SEKSDMYIXIXKKN-GOSISDBHSA-N 1 0 322.412 3.401 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc(N(C)C)cc1 ZINC000799342418 626293364 /nfs/dbraw/zinc/29/33/64/626293364.db2.gz IMFIXUPYOYMOLD-JTQLQIEISA-N 1 0 312.339 3.345 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C12CCC2 ZINC000799733217 626325782 /nfs/dbraw/zinc/32/57/82/626325782.db2.gz CHVRINIGLCUYKA-IRXDYDNUSA-N 1 0 306.425 3.329 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000800478659 626363802 /nfs/dbraw/zinc/36/38/02/626363802.db2.gz NSPDXUSOPODRAC-SFHVURJKSA-N 1 0 302.462 3.500 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000800889177 626382888 /nfs/dbraw/zinc/38/28/88/626382888.db2.gz KKMRLKYQPIZLSM-MRXNPFEDSA-N 1 0 313.397 3.274 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2F)CC1 ZINC000800967837 626387014 /nfs/dbraw/zinc/38/70/14/626387014.db2.gz ASUWBRVGJKRXTE-LESCRADOSA-N 1 0 318.436 3.065 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000800987148 626388342 /nfs/dbraw/zinc/38/83/42/626388342.db2.gz QUTLMRDAVWQYHE-HIFRSBDPSA-N 1 0 313.397 3.445 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000800987147 626388485 /nfs/dbraw/zinc/38/84/85/626388485.db2.gz QUTLMRDAVWQYHE-DZGCQCFKSA-N 1 0 313.397 3.445 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(C)C(C)C ZINC000801596882 626411635 /nfs/dbraw/zinc/41/16/35/626411635.db2.gz SKMOREBBUXXMAM-HNNXBMFYSA-N 1 0 306.450 3.250 20 10 DGCDRO CCCC[N@H+](CCC(=O)NC1CCCC1)Cc1ccccc1O ZINC000801596849 626411891 /nfs/dbraw/zinc/41/18/91/626411891.db2.gz QZOZZMJSNWHAJG-UHFFFAOYSA-N 1 0 318.461 3.443 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCC4(CC4)C3)cc2)CC1 ZINC000883236584 626619219 /nfs/dbraw/zinc/61/92/19/626619219.db2.gz FTVDNXOWEBKDKD-QGZVFWFLSA-N 1 0 314.473 3.460 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1(CC2CC2)CC1 ZINC000883249595 626623836 /nfs/dbraw/zinc/62/38/36/626623836.db2.gz LTHJFEKGFLQBSG-UHFFFAOYSA-N 1 0 300.446 3.193 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000883263425 626628671 /nfs/dbraw/zinc/62/86/71/626628671.db2.gz SKCYKFLMAYHCRJ-CVEARBPZSA-N 1 0 319.445 3.327 20 10 DGCDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000883272037 626631091 /nfs/dbraw/zinc/63/10/91/626631091.db2.gz BWOFILFBBHQGRZ-NHCYSSNCSA-N 1 0 314.223 3.230 20 10 DGCDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000883272219 626631494 /nfs/dbraw/zinc/63/14/94/626631494.db2.gz HDHNMDNSCALXNG-CKYFFXLPSA-N 1 0 314.223 3.230 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)c1O ZINC000883277394 626634255 /nfs/dbraw/zinc/63/42/55/626634255.db2.gz ZCELEYLOQUSEHV-JSGCOSHPSA-N 1 0 323.820 3.449 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)ccc1OC ZINC000883364354 626662436 /nfs/dbraw/zinc/66/24/36/626662436.db2.gz DOTCTQOSDMELLX-KRWDZBQOSA-N 1 0 319.445 3.423 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000806133388 626700941 /nfs/dbraw/zinc/70/09/41/626700941.db2.gz MGBWKZBRZZEYJD-PMACEKPBSA-N 1 0 314.473 3.174 20 10 DGCDRO C[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000807274341 626752942 /nfs/dbraw/zinc/75/29/42/626752942.db2.gz OIUZLYVYKQEVPK-CRAIPNDOSA-N 1 0 317.477 3.194 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)CCCC2 ZINC000840119976 626771959 /nfs/dbraw/zinc/77/19/59/626771959.db2.gz JVMIQAZNJDEKMW-IPMKNSEASA-N 1 0 315.457 3.396 20 10 DGCDRO CC[C@@H]1CCC[C@@]1(C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010746 626788418 /nfs/dbraw/zinc/78/84/18/626788418.db2.gz KVPWUWRBAMTBAW-HHXXYDBFSA-N 1 0 317.477 3.085 20 10 DGCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc2c(cc1O)CCCC2 ZINC000808194787 626805419 /nfs/dbraw/zinc/80/54/19/626805419.db2.gz ZWXHNSVGTQFUBT-KXBFYZLASA-N 1 0 314.473 3.330 20 10 DGCDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C12CCC2 ZINC000840138067 626826312 /nfs/dbraw/zinc/82/63/12/626826312.db2.gz CKOSAQLZHKUSFY-ZWKOTPCHSA-N 1 0 312.413 3.330 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1O ZINC000808695530 626850385 /nfs/dbraw/zinc/85/03/85/626850385.db2.gz ITDJDTNLMFMTFW-LLVKDONJSA-N 1 0 310.825 3.050 20 10 DGCDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808697807 626850400 /nfs/dbraw/zinc/85/04/00/626850400.db2.gz WATORWZNKLSGCU-OPQQBVKSSA-N 1 0 303.855 3.117 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)c1O ZINC000808695531 626850497 /nfs/dbraw/zinc/85/04/97/626850497.db2.gz OANOFMCZKVWLBA-OLZOCXBDSA-N 1 0 313.825 3.058 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCNc2ncccn2)c1O ZINC000808701026 626851237 /nfs/dbraw/zinc/85/12/37/626851237.db2.gz NYFCOQMENMDXIK-LBPRGKRZSA-N 1 0 320.824 3.297 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1O ZINC000808707815 626851478 /nfs/dbraw/zinc/85/14/78/626851478.db2.gz ZSJOVVIUEVATQO-ZBOXLXRLSA-N 1 0 310.825 3.049 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000808708568 626852166 /nfs/dbraw/zinc/85/21/66/626852166.db2.gz NHHFOJZAXVZSFM-PELKAZGASA-N 1 0 311.731 3.318 20 10 DGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808714002 626853101 /nfs/dbraw/zinc/85/31/01/626853101.db2.gz LHXRQHLHHWJTNS-TUKIKUTGSA-N 1 0 313.825 3.199 20 10 DGCDRO Oc1ccccc1C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000134475428 626878360 /nfs/dbraw/zinc/87/83/60/626878360.db2.gz VOVYXVDSGXOLMS-UHFFFAOYSA-N 1 0 313.184 3.263 20 10 DGCDRO COCC[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809544419 626918256 /nfs/dbraw/zinc/91/82/56/626918256.db2.gz IWFCUIQDYGQTBK-UHFFFAOYSA-N 1 0 310.441 3.328 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnc([C@H](C)O)s1)c1ccc(N(C)C)cc1 ZINC000809642267 626931706 /nfs/dbraw/zinc/93/17/06/626931706.db2.gz FVCRLENKERCOFV-NEPJUHHUSA-N 1 0 305.447 3.113 20 10 DGCDRO C[C@H](O)c1ncc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000809642269 626932004 /nfs/dbraw/zinc/93/20/04/626932004.db2.gz FVCRLENKERCOFV-RYUDHWBXSA-N 1 0 305.447 3.113 20 10 DGCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000809697794 626937995 /nfs/dbraw/zinc/93/79/95/626937995.db2.gz OPFDDKQYESWXEW-QGZVFWFLSA-N 1 0 301.478 3.203 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCOc3ccc(C)cc3C2)c(O)c1 ZINC000809703042 626938476 /nfs/dbraw/zinc/93/84/76/626938476.db2.gz CLGOODBOLKYLEN-UHFFFAOYSA-N 1 0 313.397 3.494 20 10 DGCDRO CCCN(CC[NH+]1CCCCC1)Cc1c(O)cccc1OC ZINC000809704907 626939307 /nfs/dbraw/zinc/93/93/07/626939307.db2.gz ILZUMIFTOQCAOF-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO Cc1cc(Cl)cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000809704167 626939362 /nfs/dbraw/zinc/93/93/62/626939362.db2.gz WEXZOJCVBYYUMK-XJKSGUPXSA-N 1 0 308.853 3.413 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)c1O ZINC000809740132 626944351 /nfs/dbraw/zinc/94/43/51/626944351.db2.gz MMZAWJWILIBPEM-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO COc1cccc(C[NH2+]C/C=C/c2ccc(F)cc2F)c1O ZINC000809740714 626944937 /nfs/dbraw/zinc/94/49/37/626944937.db2.gz BIDNWTBEKJDDJT-HWKANZROSA-N 1 0 305.324 3.482 20 10 DGCDRO CN(C)c1ccc(CN(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000809745596 626945349 /nfs/dbraw/zinc/94/53/49/626945349.db2.gz DHACFKVNZLEZMN-UHFFFAOYSA-N 1 0 317.502 3.378 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(O)c1 ZINC000809758691 626948104 /nfs/dbraw/zinc/94/81/04/626948104.db2.gz TXVYTQMQRBFDGZ-HZPDHXFCSA-N 1 0 319.445 3.430 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1C ZINC000810165433 626983025 /nfs/dbraw/zinc/98/30/25/626983025.db2.gz RYGBXNXYHQYKGH-QUCCMNQESA-N 1 0 311.425 3.265 20 10 DGCDRO CCOCc1cc(CN[C@H](C)C[N@H+](C)C(C)C)ccc1OC ZINC000810172663 626984577 /nfs/dbraw/zinc/98/45/77/626984577.db2.gz NCVVBUUYWVQLTO-OAHLLOKOSA-N 1 0 308.466 3.050 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccnn1C)c1ccc(C(F)(F)F)cc1O ZINC000810208759 626988181 /nfs/dbraw/zinc/98/81/81/626988181.db2.gz FPBDIWIQIUYZHG-ZDUSSCGKSA-N 1 0 313.323 3.385 20 10 DGCDRO CC[C@@H]([NH2+]CC1(C)COC1)c1ccc(C(F)(F)F)cc1O ZINC000810217963 626988746 /nfs/dbraw/zinc/98/87/46/626988746.db2.gz NDOSDLDBVHDLQK-GFCCVEGCSA-N 1 0 303.324 3.488 20 10 DGCDRO Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)C2 ZINC000810259811 626993842 /nfs/dbraw/zinc/99/38/42/626993842.db2.gz TVXISLYSXACOHX-IUODEOHRSA-N 1 0 301.361 3.494 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1C[C@@]12CCOC2 ZINC000885960107 627070006 /nfs/dbraw/zinc/07/00/06/627070006.db2.gz GXZWXGQZCYOAIF-IEBWSBKVSA-N 1 0 302.462 3.390 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2[nH]nc(C)c2C)cc1F ZINC000885975001 627074340 /nfs/dbraw/zinc/07/43/40/627074340.db2.gz IEXUGISRYUZDLJ-UHFFFAOYSA-N 1 0 304.413 3.302 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(F)c1OC ZINC000886186289 627118793 /nfs/dbraw/zinc/11/87/93/627118793.db2.gz USDQAHDGGGMRIS-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO Fc1cc(C[NH2+]C2(C3CC3)CCC2)ccc1N1CCOCC1 ZINC000886392062 627145954 /nfs/dbraw/zinc/14/59/54/627145954.db2.gz RMQWZSLJBXPABT-UHFFFAOYSA-N 1 0 304.409 3.085 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1c([O-])cccc1F ZINC000886639841 627178661 /nfs/dbraw/zinc/17/86/61/627178661.db2.gz MRBKWGMSHOAFDY-UKRRQHHQSA-N 1 0 306.425 3.304 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1c([O-])cccc1F ZINC000886642056 627178735 /nfs/dbraw/zinc/17/87/35/627178735.db2.gz ZCGCVMSXEWYIKK-SKDRFNHKSA-N 1 0 317.286 3.182 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1c([O-])cccc1F ZINC000886643284 627179055 /nfs/dbraw/zinc/17/90/55/627179055.db2.gz QBSVWYRPXGFAMX-NHYWBVRUSA-N 1 0 314.360 3.009 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccc2ccccc2c1O ZINC000886669864 627185178 /nfs/dbraw/zinc/18/51/78/627185178.db2.gz FVKXRYBHWVHPAB-IMJJTQAJSA-N 1 0 315.413 3.126 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1 ZINC000886677245 627187773 /nfs/dbraw/zinc/18/77/73/627187773.db2.gz UKLHKIRTJPOJMF-BBRMVZONSA-N 1 0 303.377 3.094 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886685984 627190102 /nfs/dbraw/zinc/19/01/02/627190102.db2.gz HTBAUVXVRDTDDA-QGZVFWFLSA-N 1 0 310.445 3.312 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000886708666 627195358 /nfs/dbraw/zinc/19/53/58/627195358.db2.gz ADYDFCHCGVOOLE-CVEARBPZSA-N 1 0 319.445 3.409 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2cc(F)ccc2OC)c1O ZINC000886723526 627197644 /nfs/dbraw/zinc/19/76/44/627197644.db2.gz BUBSKEQGFCNJAL-LBPRGKRZSA-N 1 0 319.376 3.442 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c(O)c1 ZINC000886772526 627203284 /nfs/dbraw/zinc/20/32/84/627203284.db2.gz ZVEKBLYLEWEAPL-KSPMYQCISA-N 1 0 319.445 3.324 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CCC2(CCC2)CO1 ZINC000886827304 627209612 /nfs/dbraw/zinc/20/96/12/627209612.db2.gz JAEBCNLFNMOMHQ-QGZVFWFLSA-N 1 0 300.446 3.247 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CCC2(CCC2)CO1 ZINC000886827303 627209823 /nfs/dbraw/zinc/20/98/23/627209823.db2.gz JAEBCNLFNMOMHQ-KRWDZBQOSA-N 1 0 300.446 3.247 20 10 DGCDRO CC(C)(C)OC(=O)N(CCC[NH2+]Cc1ccccc1O)C1CC1 ZINC000222042496 627233483 /nfs/dbraw/zinc/23/34/83/627233483.db2.gz DETRLXIMNUJZQO-UHFFFAOYSA-N 1 0 320.433 3.271 20 10 DGCDRO COc1cccc(C2(C[NH2+]Cc3cc(F)ccc3O)CC2)c1 ZINC000811509967 627284470 /nfs/dbraw/zinc/28/44/70/627284470.db2.gz NSCJPEIJYWDSOL-UHFFFAOYSA-N 1 0 301.361 3.361 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811790536 627322429 /nfs/dbraw/zinc/32/24/29/627322429.db2.gz NCQJNAGBMYWQPW-RBUKOAKNSA-N 1 0 324.424 3.474 20 10 DGCDRO Cc1cc(CC[NH2+]Cc2cc3c(cc2O)OCO3)ccc1Cl ZINC000812772923 627418181 /nfs/dbraw/zinc/41/81/81/627418181.db2.gz NDFHOLCCJDJIGT-UHFFFAOYSA-N 1 0 319.788 3.415 20 10 DGCDRO COCC1(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000812823606 627425602 /nfs/dbraw/zinc/42/56/02/627425602.db2.gz GRGIMDCLLVTRNF-UHFFFAOYSA-N 1 0 318.461 3.024 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@H]1C ZINC000813856166 627516001 /nfs/dbraw/zinc/51/60/01/627516001.db2.gz XYCJGIJFIOIYPC-VCBZYWHSSA-N 1 0 302.462 3.029 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccccc1O ZINC000813882673 627518899 /nfs/dbraw/zinc/51/88/99/627518899.db2.gz GVEULVMDHSDYQL-CYBMUJFWSA-N 1 0 308.381 3.095 20 10 DGCDRO Cc1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)ccc1N(C)C ZINC000815018065 627616659 /nfs/dbraw/zinc/61/66/59/627616659.db2.gz FCIGICFJAJDPJS-GOSISDBHSA-N 1 0 301.478 3.121 20 10 DGCDRO Cc1cc(C[NH2+][C@H](CO)c2ccc(F)cc2)ccc1N(C)C ZINC000815087597 627624572 /nfs/dbraw/zinc/62/45/72/627624572.db2.gz WOARGOATNVMUTE-QGZVFWFLSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)ccc1N(C)C ZINC000815095081 627625915 /nfs/dbraw/zinc/62/59/15/627625915.db2.gz LXMUQWFQIYUKNH-SFHVURJKSA-N 1 0 302.462 3.452 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000815118808 627629711 /nfs/dbraw/zinc/62/97/11/627629711.db2.gz MEZKCOCZNUQXLS-KRWDZBQOSA-N 1 0 318.852 3.440 20 10 DGCDRO Cc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815119746 627630052 /nfs/dbraw/zinc/63/00/52/627630052.db2.gz GHQOGZRTALGZEF-ZWKOTPCHSA-N 1 0 302.462 3.450 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)C2CCCCC2)cc1F ZINC000815150810 627638192 /nfs/dbraw/zinc/63/81/92/627638192.db2.gz PAGHLMUUOQSWBI-INIZCTEOSA-N 1 0 308.441 3.170 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)C2CCCCC2)c1 ZINC000815150469 627638280 /nfs/dbraw/zinc/63/82/80/627638280.db2.gz FIXJMLRMSKHMPI-MRXNPFEDSA-N 1 0 307.434 3.069 20 10 DGCDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924650386 627663048 /nfs/dbraw/zinc/66/30/48/627663048.db2.gz XWRYRZKGDYZICH-MOPGFXCFSA-N 1 0 302.462 3.438 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000815556475 627684122 /nfs/dbraw/zinc/68/41/22/627684122.db2.gz WBJMNYLUBUNRJI-IXDOHACOSA-N 1 0 320.477 3.159 20 10 DGCDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000924871440 627689205 /nfs/dbraw/zinc/68/92/05/627689205.db2.gz NEUHAMPXZLVLQI-ZWKOTPCHSA-N 1 0 302.462 3.220 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])ncn1 ZINC000815599547 627689611 /nfs/dbraw/zinc/68/96/11/627689611.db2.gz VRWKQVMJXBJVLB-JTQLQIEISA-N 1 0 311.307 3.360 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(-n2cnnc2)c1 ZINC000924899470 627691956 /nfs/dbraw/zinc/69/19/56/627691956.db2.gz GFYQOZQBPNQUNA-CQSZACIVSA-N 1 0 320.396 3.053 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000815633263 627693107 /nfs/dbraw/zinc/69/31/07/627693107.db2.gz KAZCLFSISZWXEV-YJBOKZPZSA-N 1 0 319.493 3.346 20 10 DGCDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCSc1nccs1 ZINC000925101490 627708814 /nfs/dbraw/zinc/70/88/14/627708814.db2.gz IGJYQFABIXKLKF-QWHCGFSZSA-N 1 0 300.493 3.276 20 10 DGCDRO C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000925786392 627795456 /nfs/dbraw/zinc/79/54/56/627795456.db2.gz OGNIZPRDQNGEEO-JKIFEVAISA-N 1 0 305.441 3.075 20 10 DGCDRO C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000925786389 627795525 /nfs/dbraw/zinc/79/55/25/627795525.db2.gz OGNIZPRDQNGEEO-CKEIUWERSA-N 1 0 305.441 3.075 20 10 DGCDRO O=C(C1CC1)N1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816479631 627795584 /nfs/dbraw/zinc/79/55/84/627795584.db2.gz QFURGIRBBXZEGK-UHFFFAOYSA-N 1 0 324.424 3.036 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000925803572 627797654 /nfs/dbraw/zinc/79/76/54/627797654.db2.gz RGZDDXORFROSGP-IJLUTSLNSA-N 1 0 316.367 3.307 20 10 DGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000816515145 627800764 /nfs/dbraw/zinc/80/07/64/627800764.db2.gz QTDQMNAASIYZEI-DGCLKSJQSA-N 1 0 314.832 3.489 20 10 DGCDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816516380 627800836 /nfs/dbraw/zinc/80/08/36/627800836.db2.gz CXNGSOKNJQPNPK-OAHLLOKOSA-N 1 0 315.413 3.030 20 10 DGCDRO CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816543520 627804805 /nfs/dbraw/zinc/80/48/05/627804805.db2.gz DMYALFKQYSXFOH-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO CN(C)c1cccc(C[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC000816558566 627807629 /nfs/dbraw/zinc/80/76/29/627807629.db2.gz DJWNLGUDCNIOKN-UHFFFAOYSA-N 1 0 307.397 3.296 20 10 DGCDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594945 627812549 /nfs/dbraw/zinc/81/25/49/627812549.db2.gz UDHVTCIPOQMTHF-ZYHUDNBSSA-N 1 0 301.789 3.310 20 10 DGCDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816611782 627814804 /nfs/dbraw/zinc/81/48/04/627814804.db2.gz XEBQOXYAKVKMGH-INIZCTEOSA-N 1 0 307.397 3.268 20 10 DGCDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816611783 627814890 /nfs/dbraw/zinc/81/48/90/627814890.db2.gz XEBQOXYAKVKMGH-MRXNPFEDSA-N 1 0 307.397 3.268 20 10 DGCDRO COCC1(C[NH2+]Cc2ccc3ccccc3c2O)CCOCC1 ZINC000816617342 627815619 /nfs/dbraw/zinc/81/56/19/627815619.db2.gz VWVZFTARQNHHIN-UHFFFAOYSA-N 1 0 315.413 3.078 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@H](O)Cc1ccccc1 ZINC000816625150 627816680 /nfs/dbraw/zinc/81/66/80/627816680.db2.gz ULNUWQXUIJCZOF-CQSZACIVSA-N 1 0 305.805 3.081 20 10 DGCDRO Cc1cc(Cl)cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000816643064 627818169 /nfs/dbraw/zinc/81/81/69/627818169.db2.gz UDTJHSMRWPDUAQ-KRWDZBQOSA-N 1 0 308.853 3.272 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000816720257 627826605 /nfs/dbraw/zinc/82/66/05/627826605.db2.gz ARFNPDINABUMFE-AWEZNQCLSA-N 1 0 313.445 3.022 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)OCO2 ZINC000817365391 627889901 /nfs/dbraw/zinc/88/99/01/627889901.db2.gz OTDOCYIIBDDRRD-SNVBAGLBSA-N 1 0 317.307 3.285 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000817585767 627926907 /nfs/dbraw/zinc/92/69/07/627926907.db2.gz HWKWVOLXZIYEEQ-ZVZYQTTQSA-N 1 0 317.477 3.085 20 10 DGCDRO CCCN1C[C@@H](C[NH2+][C@H](CC)c2cc(Cl)ccc2O)CC1=O ZINC000817588163 627927254 /nfs/dbraw/zinc/92/72/54/627927254.db2.gz CJQJOYMHHUHWDT-IUODEOHRSA-N 1 0 324.852 3.345 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C2(OC)CCOCC2)cc1 ZINC000817589051 627927262 /nfs/dbraw/zinc/92/72/62/627927262.db2.gz SYIZCEIYQXDILU-CVEARBPZSA-N 1 0 320.477 3.377 20 10 DGCDRO COC1([C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CCOCC1 ZINC000817587700 627927542 /nfs/dbraw/zinc/92/75/42/627927542.db2.gz HISIRIFOKMWFQI-OBJOEFQTSA-N 1 0 323.408 3.253 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000817921986 627962269 /nfs/dbraw/zinc/96/22/69/627962269.db2.gz MQIVSXZGRXTBKC-KRWDZBQOSA-N 1 0 312.413 3.077 20 10 DGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1 ZINC000817938564 627966303 /nfs/dbraw/zinc/96/63/03/627966303.db2.gz NGKWQHKPIXQQLN-KPZWWZAWSA-N 1 0 319.399 3.381 20 10 DGCDRO COc1ccccc1[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817937986 627966568 /nfs/dbraw/zinc/96/65/68/627966568.db2.gz AWYGRBUSDANTDC-RDTXWAMCSA-N 1 0 313.445 3.112 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000817938531 627966672 /nfs/dbraw/zinc/96/66/72/627966672.db2.gz MMOZDKDCAJXQLR-VQTJNVASSA-N 1 0 309.457 3.420 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000817938532 627966752 /nfs/dbraw/zinc/96/67/52/627966752.db2.gz MMOZDKDCAJXQLR-WOJBJXKFSA-N 1 0 309.457 3.420 20 10 DGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(F)ccc1F ZINC000817938709 627967611 /nfs/dbraw/zinc/96/76/11/627967611.db2.gz QRYXASOMJKFDNM-SGTLLEGYSA-N 1 0 319.399 3.381 20 10 DGCDRO Cc1nc(C)c([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817938658 627968004 /nfs/dbraw/zinc/96/80/04/627968004.db2.gz OYUOHGYPLIACFH-ZBEGNZNMSA-N 1 0 318.490 3.177 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCNc3ccccc32)cc1 ZINC000817944335 627969524 /nfs/dbraw/zinc/96/95/24/627969524.db2.gz ZIAJYPZQWCDBEU-AZUAARDMSA-N 1 0 324.472 3.289 20 10 DGCDRO CSCC1CCC([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000817942347 627969935 /nfs/dbraw/zinc/96/99/35/627969935.db2.gz OISOFGHHVJPDFM-PVARCSIZSA-N 1 0 321.534 3.264 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCC23CCCC3)cc1 ZINC000817943309 627970040 /nfs/dbraw/zinc/97/00/40/627970040.db2.gz UGXQBZACARFFNA-MSOLQXFVSA-N 1 0 301.478 3.455 20 10 DGCDRO COc1ccsc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943865 627970046 /nfs/dbraw/zinc/97/00/46/627970046.db2.gz WEHKLBRCWVTNDS-SWLSCSKDSA-N 1 0 319.474 3.173 20 10 DGCDRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(N2CCCCC2)cc1 ZINC000817945854 627970516 /nfs/dbraw/zinc/97/05/16/627970516.db2.gz NINLLWDPKPRFBX-WMZOPIPTSA-N 1 0 301.478 3.470 20 10 DGCDRO CC[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817953812 627973486 /nfs/dbraw/zinc/97/34/86/627973486.db2.gz RSMBPXVOTJZVLA-DGCLKSJQSA-N 1 0 302.340 3.204 20 10 DGCDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(N)cc2)cnn1C(C)(C)C ZINC000817956745 627973924 /nfs/dbraw/zinc/97/39/24/627973924.db2.gz BVOJRNKWDYXMNW-CYBMUJFWSA-N 1 0 300.450 3.422 20 10 DGCDRO COC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)c(F)c1 ZINC000817957740 627975184 /nfs/dbraw/zinc/97/51/84/627975184.db2.gz OZGDRSIHQGSUGP-KRWDZBQOSA-N 1 0 306.356 3.067 20 10 DGCDRO C[C@@H](N[C@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817960335 627975719 /nfs/dbraw/zinc/97/57/19/627975719.db2.gz MEDDDHKQAIFTFB-CXAGYDPISA-N 1 0 305.441 3.204 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817964485 627976963 /nfs/dbraw/zinc/97/69/63/627976963.db2.gz AGVVBOARGCIGBL-NWDGAFQWSA-N 1 0 303.233 3.477 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817964574 627977009 /nfs/dbraw/zinc/97/70/09/627977009.db2.gz CPUDPJMRFJKJSI-CHWSQXEVSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817969546 627978927 /nfs/dbraw/zinc/97/89/27/627978927.db2.gz WSGMVWNDQCZSCG-QWRGUYRKSA-N 1 0 302.340 3.204 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817968263 627979023 /nfs/dbraw/zinc/97/90/23/627979023.db2.gz IUMXROXXCSAALO-ZJUUUORDSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000817973357 627979841 /nfs/dbraw/zinc/97/98/41/627979841.db2.gz DOBHJONLZKNNOC-MGPUTAFESA-N 1 0 309.457 3.290 20 10 DGCDRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1O ZINC000817981058 627982444 /nfs/dbraw/zinc/98/24/44/627982444.db2.gz PKFOQNNQCIKJRW-KWQFWETISA-N 1 0 324.293 3.059 20 10 DGCDRO C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817984115 627983370 /nfs/dbraw/zinc/98/33/70/627983370.db2.gz NIXBMAOBOHQDLB-SNVBAGLBSA-N 1 0 302.340 3.204 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cccnc3)C2)cc1 ZINC000818115858 627997236 /nfs/dbraw/zinc/99/72/36/627997236.db2.gz CZULBNRESWDNJR-CVEARBPZSA-N 1 0 311.429 3.267 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1 ZINC000927013724 627997565 /nfs/dbraw/zinc/99/75/65/627997565.db2.gz LZKHVVWBTUYTBN-CABCVRRESA-N 1 0 305.418 3.079 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(C)cc1O ZINC000927017068 627997934 /nfs/dbraw/zinc/99/79/34/627997934.db2.gz VQGHJCUBEKIFAK-NVXWUHKLSA-N 1 0 319.445 3.470 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c(O)c1 ZINC000927015890 627997990 /nfs/dbraw/zinc/99/79/90/627997990.db2.gz RMXOSOZWFBUWDW-LSDHHAIUSA-N 1 0 305.418 3.079 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000927058697 628004926 /nfs/dbraw/zinc/00/49/26/628004926.db2.gz SXWOEGHGYCJYSI-LEUOFYLZSA-N 1 0 318.461 3.476 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3csc(C)n3)C2)cc1 ZINC000818220358 628005928 /nfs/dbraw/zinc/00/59/28/628005928.db2.gz JQJVKLXJWVMFHK-CQSZACIVSA-N 1 0 317.458 3.076 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000818223254 628006470 /nfs/dbraw/zinc/00/64/70/628006470.db2.gz SQPOYYDGCRQMHJ-HKUYNNGSSA-N 1 0 300.446 3.049 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000818220837 628006481 /nfs/dbraw/zinc/00/64/81/628006481.db2.gz MUCJJQNNPURJJC-CQSZACIVSA-N 1 0 306.475 3.007 20 10 DGCDRO CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000818221425 628006590 /nfs/dbraw/zinc/00/65/90/628006590.db2.gz MEGJNXNJSZOEFG-XYJFISCASA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3nc(C)cs3)C2)cc1 ZINC000818221478 628006611 /nfs/dbraw/zinc/00/66/11/628006611.db2.gz NGCJOHKZSQEKAC-CQSZACIVSA-N 1 0 317.458 3.076 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(C)on3)C2)cc1 ZINC000818342094 628015910 /nfs/dbraw/zinc/01/59/10/628015910.db2.gz LMIXMTMVZRARMC-CABCVRRESA-N 1 0 315.417 3.169 20 10 DGCDRO COC[C@H](CC(C)C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818345245 628016498 /nfs/dbraw/zinc/01/64/98/628016498.db2.gz SKNWILWCOVQIEH-SJORKVTESA-N 1 0 320.477 3.172 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)c1ncc(C(=O)OC)s1)c1ccccc1O ZINC000818355064 628017381 /nfs/dbraw/zinc/01/73/81/628017381.db2.gz BBRSOCHCDKVFMA-ZYHUDNBSSA-N 1 0 320.414 3.437 20 10 DGCDRO CSC[C@H](O)C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000818981112 628072501 /nfs/dbraw/zinc/07/25/01/628072501.db2.gz QWLPENKOQNSWCX-GOSISDBHSA-N 1 0 322.518 3.269 20 10 DGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCSc1nccs1 ZINC000819064237 628085227 /nfs/dbraw/zinc/08/52/27/628085227.db2.gz UUPDTJMYMHUHJF-UKRRQHHQSA-N 1 0 322.499 3.380 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000819077412 628087788 /nfs/dbraw/zinc/08/77/88/628087788.db2.gz KOTWEOSPVACVGL-OXJNMPFZSA-N 1 0 312.457 3.315 20 10 DGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819096173 628091023 /nfs/dbraw/zinc/09/10/23/628091023.db2.gz YIPJIADGTKYOGS-UWJYYQICSA-N 1 0 322.452 3.317 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1ccccc1F ZINC000819094789 628091424 /nfs/dbraw/zinc/09/14/24/628091424.db2.gz MGFYGPNPEMDEFT-LJQANCHMSA-N 1 0 312.388 3.025 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)CC1CCCC1 ZINC000819095218 628091465 /nfs/dbraw/zinc/09/14/65/628091465.db2.gz BYASQCSJOCASAE-IBGZPJMESA-N 1 0 300.446 3.094 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1C(C)C ZINC000819894733 628196665 /nfs/dbraw/zinc/19/66/65/628196665.db2.gz AKKAYMJYMDASHY-MRXNPFEDSA-N 1 0 314.433 3.253 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CC(C(F)F)C3)C2)cc1 ZINC000822494416 628457609 /nfs/dbraw/zinc/45/76/09/628457609.db2.gz OFXUJMRYCBBZLN-HSBZDZAISA-N 1 0 310.388 3.155 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2(OC)CCCC2)ccc1OC ZINC000824445491 628661428 /nfs/dbraw/zinc/66/14/28/628661428.db2.gz BEKRTDGFCKYNQX-UHFFFAOYSA-N 1 0 307.434 3.281 20 10 DGCDRO C[N@H+](Cc1ccc(Br)cc1O)[C@H]1CCSC1 ZINC000824555217 628670640 /nfs/dbraw/zinc/67/06/40/628670640.db2.gz CPFAIHBFECAOBN-NSHDSACASA-N 1 0 302.237 3.092 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](CC)COCC(F)(F)F)c(O)c1 ZINC000824556088 628670667 /nfs/dbraw/zinc/67/06/67/628670667.db2.gz ZUUBQJZJGHBJQU-LBPRGKRZSA-N 1 0 321.339 3.238 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000824555295 628670684 /nfs/dbraw/zinc/67/06/84/628670684.db2.gz RZRYTPBZMJADBY-ZDUSSCGKSA-N 1 0 305.340 3.451 20 10 DGCDRO CC(C)[N@H+](Cc1cnn2c1CCC2)Cc1ccc(N(C)C)cc1 ZINC000824565977 628671983 /nfs/dbraw/zinc/67/19/83/628671983.db2.gz ADUQVWGFEIOEDN-UHFFFAOYSA-N 1 0 312.461 3.306 20 10 DGCDRO Cc1c(Br)cncc1C[N@H+](C)Cc1ccccc1O ZINC000824596207 628674916 /nfs/dbraw/zinc/67/49/16/628674916.db2.gz CPMCAIDZUCPMSE-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(N)=O ZINC000824608593 628676252 /nfs/dbraw/zinc/67/62/52/628676252.db2.gz JZBCOCXHSREGGW-LBPRGKRZSA-N 1 0 324.852 3.159 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000824625215 628678282 /nfs/dbraw/zinc/67/82/82/628678282.db2.gz GYJVDMFPPUVCHI-LBPRGKRZSA-N 1 0 314.223 3.120 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CC(C)(C)CO)c(C(F)(F)F)c1 ZINC000824635647 628679098 /nfs/dbraw/zinc/67/90/98/628679098.db2.gz IYDVQPVYZZCQJO-UHFFFAOYSA-N 1 0 318.383 3.222 20 10 DGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)o1 ZINC000824663096 628681836 /nfs/dbraw/zinc/68/18/36/628681836.db2.gz GAXORNGHXGPTTR-GFCCVEGCSA-N 1 0 321.808 3.425 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726259 628687659 /nfs/dbraw/zinc/68/76/59/628687659.db2.gz JXXGFIBMBVZTLD-SFHVURJKSA-N 1 0 319.351 3.261 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000824733047 628688119 /nfs/dbraw/zinc/68/81/19/628688119.db2.gz GUOQSRIURTXYOV-UHFFFAOYSA-N 1 0 320.433 3.188 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@](C)(OC)c2ccccc2)c1O ZINC000824780291 628692858 /nfs/dbraw/zinc/69/28/58/628692858.db2.gz JOKYJXXISOUWLF-LJQANCHMSA-N 1 0 315.413 3.442 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(OC)c2ccccc2)c1 ZINC000824780551 628693041 /nfs/dbraw/zinc/69/30/41/628693041.db2.gz SSLAPDCPGHRWNY-GOSISDBHSA-N 1 0 301.386 3.052 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@](C)(OC)c1ccccc1 ZINC000824780649 628693049 /nfs/dbraw/zinc/69/30/49/628693049.db2.gz YFMSPNIZVNYFRL-SFHVURJKSA-N 1 0 301.386 3.052 20 10 DGCDRO COc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)c(O)c(C(C)(C)C)c1 ZINC000824861956 628701256 /nfs/dbraw/zinc/70/12/56/628701256.db2.gz FBLXLTIQDJVBBM-KRWDZBQOSA-N 1 0 319.445 3.309 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCSC[C@@H]2C2CC2)c1O ZINC000824913763 628705587 /nfs/dbraw/zinc/70/55/87/628705587.db2.gz FCNKRDOBNNGEDU-CYBMUJFWSA-N 1 0 313.850 3.382 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000824954487 628710977 /nfs/dbraw/zinc/71/09/77/628710977.db2.gz QQKMFNWHKSQJDR-SUMWQHHRSA-N 1 0 318.804 3.451 20 10 DGCDRO C[C@]1(CC[NH2+]Cc2cc3c(cc2O)OCO3)CC1(Cl)Cl ZINC000824970603 628711946 /nfs/dbraw/zinc/71/19/46/628711946.db2.gz MBXNCFXQSDJENR-ZDUSSCGKSA-N 1 0 318.200 3.185 20 10 DGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825130734 628731173 /nfs/dbraw/zinc/73/11/73/628731173.db2.gz DZLAQUHRJVXDTC-KRWDZBQOSA-N 1 0 305.805 3.486 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000825138813 628731913 /nfs/dbraw/zinc/73/19/13/628731913.db2.gz XVUFQNOEPBLECQ-HOJAQTOUSA-N 1 0 314.473 3.174 20 10 DGCDRO CC(C)OCCOC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000825208336 628737413 /nfs/dbraw/zinc/73/74/13/628737413.db2.gz VNUGYVWXMPCIOQ-UHFFFAOYSA-N 1 0 320.477 3.159 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825283512 628745978 /nfs/dbraw/zinc/74/59/78/628745978.db2.gz LYWHDUNIPYOMNS-OAHLLOKOSA-N 1 0 321.804 3.186 20 10 DGCDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000825325498 628749938 /nfs/dbraw/zinc/74/99/38/628749938.db2.gz CZFPZUWIVXSRHT-LBPRGKRZSA-N 1 0 319.376 3.269 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)c2ccccc2)cc1Cl ZINC000825327517 628749975 /nfs/dbraw/zinc/74/99/75/628749975.db2.gz YGSYXZHZMMZTBS-OAHLLOKOSA-N 1 0 305.805 3.220 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1Cl ZINC000825384389 628756354 /nfs/dbraw/zinc/75/63/54/628756354.db2.gz AMMWCBBWJQPDNZ-CQSZACIVSA-N 1 0 317.820 3.118 20 10 DGCDRO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@H](O)C(F)(F)F ZINC000825561709 628773655 /nfs/dbraw/zinc/77/36/55/628773655.db2.gz GIKYTVNMMLTFJA-LBPRGKRZSA-N 1 0 311.731 3.099 20 10 DGCDRO CCOC(CC[NH2+]Cc1cc(Cl)c(C)cc1O)OCC ZINC000825657347 628782836 /nfs/dbraw/zinc/78/28/36/628782836.db2.gz DLSIGIKRTJWMRG-UHFFFAOYSA-N 1 0 301.814 3.233 20 10 DGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2O)nc1 ZINC000825671774 628784409 /nfs/dbraw/zinc/78/44/09/628784409.db2.gz OZTFYGKWWJQDEJ-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO Cc1cc(O)c(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1Cl ZINC000825885143 628806782 /nfs/dbraw/zinc/80/67/82/628806782.db2.gz DGAADLAAVHADHQ-HIFRSBDPSA-N 1 0 308.853 3.413 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc1 ZINC000826019840 628820926 /nfs/dbraw/zinc/82/09/26/628820926.db2.gz LGHMETRFWGFVPY-YJBOKZPZSA-N 1 0 319.493 3.111 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Cl ZINC000826048660 628823093 /nfs/dbraw/zinc/82/30/93/628823093.db2.gz JSPBXGZXTCHCEB-FVQBIDKESA-N 1 0 309.837 3.479 20 10 DGCDRO COC1([C@H](C)[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000826123004 628830154 /nfs/dbraw/zinc/83/01/54/628830154.db2.gz BYWUGXNWWQUXEK-JTQLQIEISA-N 1 0 314.223 3.202 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]CC3Cc4ccccc4C3)C2)cc1 ZINC000826846571 628894232 /nfs/dbraw/zinc/89/42/32/628894232.db2.gz WEBBQDCPDORAMW-LJQANCHMSA-N 1 0 322.452 3.279 20 10 DGCDRO COc1cc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000827147685 628928134 /nfs/dbraw/zinc/92/81/34/628928134.db2.gz VPDQMHDRGXPXGU-STQMWFEESA-N 1 0 321.461 3.147 20 10 DGCDRO C[C@H]1C[NH+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)C1O ZINC000827152876 628928788 /nfs/dbraw/zinc/92/87/88/628928788.db2.gz XMPKTBIAXVRHGG-HOTGVXAUSA-N 1 0 302.462 3.126 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2cn(C)c3ccccc23)c1 ZINC000827251762 628942030 /nfs/dbraw/zinc/94/20/30/628942030.db2.gz MQAGKQDNLZKXDU-UHFFFAOYSA-N 1 0 310.397 3.225 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000827340466 628950883 /nfs/dbraw/zinc/95/08/83/628950883.db2.gz AWJPREMQPRFPGG-PKOBYXMFSA-N 1 0 317.477 3.057 20 10 DGCDRO CCc1cc(N2CCCN(c3ccc(OC)cc3)CC2)cc[nH+]1 ZINC000827430371 628957985 /nfs/dbraw/zinc/95/79/85/628957985.db2.gz JVWLRSJDDATFPY-UHFFFAOYSA-N 1 0 311.429 3.369 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(C(=O)OC)cc2F)c1O ZINC000827519351 628966712 /nfs/dbraw/zinc/96/67/12/628966712.db2.gz LRNJTYGRFHMRPR-UHFFFAOYSA-N 1 0 317.360 3.170 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(CC)c1O ZINC000827751516 628988649 /nfs/dbraw/zinc/98/86/49/628988649.db2.gz VVXSSGNSPDTBNW-MAUKXSAKSA-N 1 0 305.418 3.166 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1F ZINC000827850328 628997123 /nfs/dbraw/zinc/99/71/23/628997123.db2.gz NPWLOBYFXGAHCI-KDURUIRLSA-N 1 0 318.436 3.284 20 10 DGCDRO C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000827913778 629003376 /nfs/dbraw/zinc/00/33/76/629003376.db2.gz MCJWEQBSVAEHSA-CQSZACIVSA-N 1 0 323.440 3.019 20 10 DGCDRO CC[N@H+](C)[C@H](C(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000827931140 629004754 /nfs/dbraw/zinc/00/47/54/629004754.db2.gz ZUJHDTIMXDPTEE-KDOFPFPSSA-N 1 0 312.413 3.262 20 10 DGCDRO C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1O ZINC000827969522 629009337 /nfs/dbraw/zinc/00/93/37/629009337.db2.gz OHSGJPOHDMEEOK-AWEZNQCLSA-N 1 0 304.434 3.224 20 10 DGCDRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1O ZINC000827969738 629009690 /nfs/dbraw/zinc/00/96/90/629009690.db2.gz REUGCFJOPVXPGV-HNNXBMFYSA-N 1 0 324.424 3.479 20 10 DGCDRO CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827978665 629010743 /nfs/dbraw/zinc/01/07/43/629010743.db2.gz ZUJHDTIMXDPTEE-KBXCAEBGSA-N 1 0 312.413 3.262 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@H]2CCOC2)ccc1N1CCCCC1 ZINC000827990043 629011856 /nfs/dbraw/zinc/01/18/56/629011856.db2.gz AXLGBYFMQMKGJI-GOSISDBHSA-N 1 0 302.462 3.454 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ncc(C)cc2C)c1 ZINC000828155239 629028679 /nfs/dbraw/zinc/02/86/79/629028679.db2.gz KNVCKJNXSXWHTP-CQSZACIVSA-N 1 0 300.402 3.306 20 10 DGCDRO Cc1cc(C[N@H+]2CCOC[C@H](C)C2)ccc1N1CCCCC1 ZINC000828487535 629058975 /nfs/dbraw/zinc/05/89/75/629058975.db2.gz IVFHNGZDGHQRRO-MRXNPFEDSA-N 1 0 302.462 3.454 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(O)C2)ccc1N1CCCCC1 ZINC000828582828 629070694 /nfs/dbraw/zinc/07/06/94/629070694.db2.gz LQNRCFDVHUHDTB-LJQANCHMSA-N 1 0 302.462 3.332 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H]3CN(C)C[C@@H]32)ccc1N1CCCCC1 ZINC000829998727 629216296 /nfs/dbraw/zinc/21/62/96/629216296.db2.gz NFKSQTAEIMLNCX-ICSRJNTNSA-N 1 0 313.489 3.121 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)[C@@H]1SC ZINC000830455721 629271942 /nfs/dbraw/zinc/27/19/42/629271942.db2.gz OEPJSUXFKZMIGB-OIISXLGYSA-N 1 0 308.491 3.060 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1N(C)C ZINC000831166522 629345240 /nfs/dbraw/zinc/34/52/40/629345240.db2.gz UACDZQPAMOKVNI-QRQLOZEOSA-N 1 0 302.462 3.186 20 10 DGCDRO Nc1ccc(CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000831496878 629382548 /nfs/dbraw/zinc/38/25/48/629382548.db2.gz UOMOSUDOQPLHFC-UHFFFAOYSA-N 1 0 323.440 3.088 20 10 DGCDRO C[C@H](CC1CCCC1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274835 629458439 /nfs/dbraw/zinc/45/84/39/629458439.db2.gz ZOZGNRBBRNMRFH-RDTXWAMCSA-N 1 0 317.477 3.085 20 10 DGCDRO CC[C@H]1CC[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832284352 629459179 /nfs/dbraw/zinc/45/91/79/629459179.db2.gz JINLSSSKGYUQPN-QGPMSJSTSA-N 1 0 317.477 3.085 20 10 DGCDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000834487367 629717251 /nfs/dbraw/zinc/71/72/51/629717251.db2.gz BZKVDKZCWQZLLX-MSOLQXFVSA-N 1 0 310.441 3.142 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@]1(O)CCCc3ccccc31)CC2 ZINC000834576157 629732376 /nfs/dbraw/zinc/73/23/76/629732376.db2.gz TUXFIKGISOMZGX-FXAWDEMLSA-N 1 0 309.409 3.193 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCOc1ncccc1Cl)CC2 ZINC000834680929 629755615 /nfs/dbraw/zinc/75/56/15/629755615.db2.gz PFSDZBZRFFXBIP-CYBMUJFWSA-N 1 0 304.777 3.097 20 10 DGCDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)c2ccccc21 ZINC000834692671 629759230 /nfs/dbraw/zinc/75/92/30/629759230.db2.gz GVEYPYHUVFAAHH-IAGOWNOFSA-N 1 0 322.408 3.467 20 10 DGCDRO OC[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)C[C@H]1c1ccccc1 ZINC000834803018 629782173 /nfs/dbraw/zinc/78/21/73/629782173.db2.gz IGUZGZSFSIUMHX-SQGPQFPESA-N 1 0 309.409 3.135 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000834820787 629784195 /nfs/dbraw/zinc/78/41/95/629784195.db2.gz CUZDTAHSRUUHDJ-VXGBXAGGSA-N 1 0 319.836 3.213 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(Br)cc1O ZINC000834833216 629786998 /nfs/dbraw/zinc/78/69/98/629786998.db2.gz VZHDFQYBSJCHLX-BXKDBHETSA-N 1 0 322.206 3.147 20 10 DGCDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834843750 629788882 /nfs/dbraw/zinc/78/88/82/629788882.db2.gz KGWAXMWHEPOOON-LPHOPBHVSA-N 1 0 320.477 3.115 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CC2(CF)CCOCC2)c2c1c(F)ccc2O ZINC000834885724 629797791 /nfs/dbraw/zinc/79/77/91/629797791.db2.gz NDRKCFFUESOEKK-DGCLKSJQSA-N 1 0 311.372 3.436 20 10 DGCDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834898857 629801939 /nfs/dbraw/zinc/80/19/39/629801939.db2.gz HHYOTVMNZSBJMQ-HOTGVXAUSA-N 1 0 317.477 3.242 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc(F)ccc1O ZINC000834905955 629805093 /nfs/dbraw/zinc/80/50/93/629805093.db2.gz XBMOMMGZFANRPD-RVZJWNSFSA-N 1 0 316.376 3.497 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc(Br)ccc1O ZINC000834915209 629807637 /nfs/dbraw/zinc/80/76/37/629807637.db2.gz PAUSEWDTMXMLIE-SCVCMEIPSA-N 1 0 314.223 3.373 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000834914551 629807706 /nfs/dbraw/zinc/80/77/06/629807706.db2.gz NPSBBVOZUPXANK-LNSITVRQSA-N 1 0 322.836 3.158 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000835026208 629828269 /nfs/dbraw/zinc/82/82/69/629828269.db2.gz SEFLBXDXDNVXAX-LIMHQNJXSA-N 1 0 300.446 3.267 20 10 DGCDRO CCN1CCC([N@H+](C)C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835025327 629828331 /nfs/dbraw/zinc/82/83/31/629828331.db2.gz IBWNVCIRDKUJJG-VOTSOKGWSA-N 1 0 301.478 3.182 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000835032423 629830042 /nfs/dbraw/zinc/83/00/42/629830042.db2.gz BZFREGNEGVZSRX-SNAWJCMRSA-N 1 0 324.424 3.327 20 10 DGCDRO Cc1ccc([C@@H](O)C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000835034674 629830436 /nfs/dbraw/zinc/83/04/36/629830436.db2.gz CKZWVTRRPUIWFA-FBQMEGEOSA-N 1 0 310.441 3.397 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2Cc3ccccc3C2)cc1 ZINC000835037789 629830971 /nfs/dbraw/zinc/83/09/71/629830971.db2.gz XISYBKAZTFGFFC-AATRIKPKSA-N 1 0 321.468 3.371 20 10 DGCDRO CN(C)c1ccc(/C=C\CNCC[N@H+](C)C2CCCC2)cc1 ZINC000835039174 629831005 /nfs/dbraw/zinc/83/10/05/629831005.db2.gz XEHASPXXXQMQAA-SREVYHEPSA-N 1 0 301.478 3.230 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@](C)(CO)c2ccccc2)cc1 ZINC000835039085 629831235 /nfs/dbraw/zinc/83/12/35/629831235.db2.gz GDWXKFGZLBORAT-WHXUGTBJSA-N 1 0 310.441 3.263 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000835037568 629831504 /nfs/dbraw/zinc/83/15/04/629831504.db2.gz QPZBZXXKYSHGKL-ONEGZZNKSA-N 1 0 323.431 3.085 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000835040093 629831763 /nfs/dbraw/zinc/83/17/63/629831763.db2.gz OAVBVNXYSSCFAL-CPRFOPHYSA-N 1 0 300.446 3.169 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000835039768 629831909 /nfs/dbraw/zinc/83/19/09/629831909.db2.gz JIPSDFGJERAJFJ-PYTPGESOSA-N 1 0 316.470 3.325 20 10 DGCDRO Cc1ccsc1[C@@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042887 629832612 /nfs/dbraw/zinc/83/26/12/629832612.db2.gz LCVCMXSKROOTOR-VGOKWCNXSA-N 1 0 316.470 3.459 20 10 DGCDRO CC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H](O)C(F)(F)F ZINC000835042042 629832741 /nfs/dbraw/zinc/83/27/41/629832741.db2.gz QJTPLVSVVJDIEX-LUNKNMTDSA-N 1 0 316.367 3.057 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000835041744 629833126 /nfs/dbraw/zinc/83/31/26/629833126.db2.gz DQSVCWATWVEADU-QDLOVBKTSA-N 1 0 308.516 3.204 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000835043692 629833795 /nfs/dbraw/zinc/83/37/95/629833795.db2.gz BETYYTFYLZVMTM-OIIZEAPSSA-N 1 0 302.462 3.249 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](CO)c2ccccc2)cc1 ZINC000835044217 629834024 /nfs/dbraw/zinc/83/40/24/629834024.db2.gz XXTWDGCDEACXIU-OVKVCFKUSA-N 1 0 310.441 3.132 20 10 DGCDRO CC[C@]1(CO)CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835045571 629834842 /nfs/dbraw/zinc/83/48/42/629834842.db2.gz IXHWKPSZITXDHY-WPGJWXSHSA-N 1 0 302.462 3.250 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CCO)c2ccco2)cc1 ZINC000835046453 629834848 /nfs/dbraw/zinc/83/48/48/629834848.db2.gz JTBKKDNCQBHTLN-MAVJXHJTSA-N 1 0 300.402 3.072 20 10 DGCDRO C[C@@H](CO)[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC1CCC1 ZINC000835049528 629836562 /nfs/dbraw/zinc/83/65/62/629836562.db2.gz JNGKWIMMZCHXST-SBSDFTTDSA-N 1 0 302.462 3.249 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1 ZINC000835051856 629837161 /nfs/dbraw/zinc/83/71/61/629837161.db2.gz AKVXMZSVGPMRDI-OOFWQKGWSA-N 1 0 302.462 3.153 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000835052875 629837799 /nfs/dbraw/zinc/83/77/99/629837799.db2.gz QGNGWXHIZWDFGL-SNAWJCMRSA-N 1 0 322.456 3.289 20 10 DGCDRO CC[C@H]1C[N@H+](CC)CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835054960 629838502 /nfs/dbraw/zinc/83/85/02/629838502.db2.gz OMMYGPAUZARBMF-ZEVQVBBLSA-N 1 0 301.478 3.182 20 10 DGCDRO C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@@H](C2CC2)O1 ZINC000835055029 629838777 /nfs/dbraw/zinc/83/87/77/629838777.db2.gz UZKGNEMOGQIEJA-LTGPNDRFSA-N 1 0 300.446 3.265 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(CF)CCOCC2)cc1 ZINC000835054963 629839074 /nfs/dbraw/zinc/83/90/74/629839074.db2.gz OMORVFKUAXOBSX-ONEGZZNKSA-N 1 0 306.425 3.122 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc3cnn(C)c3c2)cc1 ZINC000835055870 629839501 /nfs/dbraw/zinc/83/95/01/629839501.db2.gz ONDLSVGJHDDAFK-SNAWJCMRSA-N 1 0 320.440 3.442 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2c3c(nn2C)CCCC3)cc1 ZINC000835056563 629839593 /nfs/dbraw/zinc/83/95/93/629839593.db2.gz VTJMFWOBIOASQM-SREVYHEPSA-N 1 0 324.472 3.168 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055818 629839707 /nfs/dbraw/zinc/83/97/07/629839707.db2.gz ZRCWNFZVZGLUHF-DFOOCIKTSA-N 1 0 316.445 3.087 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c1O ZINC000835071626 629843373 /nfs/dbraw/zinc/84/33/73/629843373.db2.gz ZYUKNMVSWXZUMS-SFHVURJKSA-N 1 0 305.418 3.254 20 10 DGCDRO CON1CCC([N@H+](C)Cc2ccc3ccccc3c2O)CC1 ZINC000835075899 629845345 /nfs/dbraw/zinc/84/53/45/629845345.db2.gz FUYZTUULBXJQTG-UHFFFAOYSA-N 1 0 300.402 3.003 20 10 DGCDRO COC(=O)[C@@H](C)C[N@H+](Cc1c(O)ccc2ccccc21)C1CC1 ZINC000102652997 630192016 /nfs/dbraw/zinc/19/20/16/630192016.db2.gz FKGMKKXSXJNKCL-ZDUSSCGKSA-N 1 0 313.397 3.319 20 10 DGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000102827142 630264533 /nfs/dbraw/zinc/26/45/33/630264533.db2.gz CRULUYNTHSAPAL-OAHLLOKOSA-N 1 0 324.852 3.164 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1C[C@H]1C ZINC000840756820 630356249 /nfs/dbraw/zinc/35/62/49/630356249.db2.gz CVZIQXWUVBPWJK-IFIJOSMWSA-N 1 0 324.415 3.326 20 10 DGCDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000840888226 630372965 /nfs/dbraw/zinc/37/29/65/630372965.db2.gz DIOZSZUHMHKHSM-CYBMUJFWSA-N 1 0 321.442 3.021 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000840892664 630373623 /nfs/dbraw/zinc/37/36/23/630373623.db2.gz BWXKOLOGXKHLFU-JZXOWHBKSA-N 1 0 304.478 3.397 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000840895163 630374594 /nfs/dbraw/zinc/37/45/94/630374594.db2.gz WAHXZJCXNCKPCW-GDBMZVCRSA-N 1 0 312.461 3.441 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c(Cl)c1 ZINC000840923792 630379091 /nfs/dbraw/zinc/37/90/91/630379091.db2.gz VSJQMEBVEUDVEL-CYBMUJFWSA-N 1 0 319.836 3.152 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC000840929924 630379400 /nfs/dbraw/zinc/37/94/00/630379400.db2.gz QOZNPPSKSIQWKB-GOSISDBHSA-N 1 0 314.477 3.462 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000840933786 630379953 /nfs/dbraw/zinc/37/99/53/630379953.db2.gz SUPITOFSDMEFEN-GOSISDBHSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935127 630380791 /nfs/dbraw/zinc/38/07/91/630380791.db2.gz GBTPENMMBPLLRI-AWEZNQCLSA-N 1 0 314.477 3.132 20 10 DGCDRO CO[C@H](CC[NH2+]Cc1c(O)cc(C)cc1Cl)C(F)(F)F ZINC000840938876 630381179 /nfs/dbraw/zinc/38/11/79/630381179.db2.gz IZEOJXGDDAUPJM-GFCCVEGCSA-N 1 0 311.731 3.411 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000840940552 630381346 /nfs/dbraw/zinc/38/13/46/630381346.db2.gz FTBYNNLAUKEPSL-UHFFFAOYSA-N 1 0 322.346 3.068 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000840938355 630381418 /nfs/dbraw/zinc/38/14/18/630381418.db2.gz CBTFQOZJPJKDLU-KRWDZBQOSA-N 1 0 318.461 3.036 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000840938428 630381495 /nfs/dbraw/zinc/38/14/95/630381495.db2.gz DKSGENKEHYZJGW-UHFFFAOYSA-N 1 0 323.440 3.322 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000840956127 630384749 /nfs/dbraw/zinc/38/47/49/630384749.db2.gz DDPXPRVMJYXPHP-FUHWJXTLSA-N 1 0 313.397 3.099 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c1O ZINC000840960911 630385840 /nfs/dbraw/zinc/38/58/40/630385840.db2.gz NUFOFFIVFBKRLX-MGPLVRAMSA-N 1 0 313.825 3.347 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCCC[C@H]2F)ccc1N1CCOCC1 ZINC000840962210 630387520 /nfs/dbraw/zinc/38/75/20/630387520.db2.gz JBSRHPICJQSBEA-GDBMZVCRSA-N 1 0 310.388 3.033 20 10 DGCDRO CCOc1cccc(C[NH2+]CC(C)(C)c2cccnc2)c1O ZINC000840974609 630389780 /nfs/dbraw/zinc/38/97/80/630389780.db2.gz CTOBDIIKRFWQSE-UHFFFAOYSA-N 1 0 300.402 3.253 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000841040866 630400259 /nfs/dbraw/zinc/40/02/59/630400259.db2.gz ARHSRCYEJLWQFU-FQEVSTJZSA-N 1 0 309.457 3.420 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2nccc3ccccc32)cc1 ZINC000841042325 630400621 /nfs/dbraw/zinc/40/06/21/630400621.db2.gz IANYFTLCCGKXIN-LJQANCHMSA-N 1 0 320.440 3.090 20 10 DGCDRO C[NH2+]Cc1ccccc1NCc1cc(Cl)cc(OC)c1O ZINC000841043724 630401406 /nfs/dbraw/zinc/40/14/06/630401406.db2.gz RGWNIAWNODVOOI-UHFFFAOYSA-N 1 0 306.793 3.386 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cnc3ccccc3c2)cc1 ZINC000841044924 630401410 /nfs/dbraw/zinc/40/14/10/630401410.db2.gz FYHJJOXTZDIMAD-IBGZPJMESA-N 1 0 320.440 3.090 20 10 DGCDRO C[C@H](C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000841042740 630401417 /nfs/dbraw/zinc/40/14/17/630401417.db2.gz NCJUYZMWKSZEES-KUHUBIRLSA-N 1 0 315.436 3.285 20 10 DGCDRO COc1cccc(CN2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)c1O ZINC000841046693 630401876 /nfs/dbraw/zinc/40/18/76/630401876.db2.gz DPCDSOWRLJFGGX-GFCCVEGCSA-N 1 0 316.376 3.038 20 10 DGCDRO Cc1cccc(CN2C[C@H](C)[NH2+]Cc3ccc(F)cc32)c1O ZINC000841046472 630401955 /nfs/dbraw/zinc/40/19/55/630401955.db2.gz BMSFNNFMBNRAMZ-ZDUSSCGKSA-N 1 0 300.377 3.338 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CC[NH2+]C2)cc1 ZINC000841045395 630402012 /nfs/dbraw/zinc/40/20/12/630402012.db2.gz TVCINUKAZMBEEW-LJQANCHMSA-N 1 0 309.457 3.165 20 10 DGCDRO CN(C)c1ccc(/C=C\CNc2ccc(OCC[NH3+])cc2)cc1 ZINC000841053720 630402329 /nfs/dbraw/zinc/40/23/29/630402329.db2.gz AXCFALQYCSXCMK-ARJAWSKDSA-N 1 0 311.429 3.215 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841746551 630461749 /nfs/dbraw/zinc/46/17/49/630461749.db2.gz HTTBRQAZQWDNMV-DOMZBBRYSA-N 1 0 305.805 3.300 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O ZINC000841747684 630461785 /nfs/dbraw/zinc/46/17/85/630461785.db2.gz DIGIWJSDWCEGHI-JQWIXIFHSA-N 1 0 310.825 3.096 20 10 DGCDRO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1O ZINC000841746998 630462022 /nfs/dbraw/zinc/46/20/22/630462022.db2.gz MNQQYBZKLHCJKC-JTQLQIEISA-N 1 0 314.813 3.221 20 10 DGCDRO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(Cl)cc1O ZINC000841753626 630462488 /nfs/dbraw/zinc/46/24/88/630462488.db2.gz FLOSWRSVHMYNFR-GFCCVEGCSA-N 1 0 317.816 3.226 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(Cl)cc1O ZINC000841755554 630462519 /nfs/dbraw/zinc/46/25/19/630462519.db2.gz JDQMVZJCEWUJBE-ABAIWWIYSA-N 1 0 323.795 3.439 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000842616155 630554218 /nfs/dbraw/zinc/55/42/18/630554218.db2.gz SKRPJYGGEAIPAR-HNNXBMFYSA-N 1 0 320.396 3.022 20 10 DGCDRO CC(C)Cn1nccc1C[NH2+]CCCSc1nccs1 ZINC000842683511 630562578 /nfs/dbraw/zinc/56/25/78/630562578.db2.gz MCPYKINMIGLJLB-UHFFFAOYSA-N 1 0 310.492 3.268 20 10 DGCDRO COCC1(CC[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000842728820 630568636 /nfs/dbraw/zinc/56/86/36/630568636.db2.gz KQTYAVLAAHEQCR-UHFFFAOYSA-N 1 0 318.461 3.070 20 10 DGCDRO CC[C@@H](C)C[C@@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000842756573 630571686 /nfs/dbraw/zinc/57/16/86/630571686.db2.gz NYKWBPZPXGLLKE-WBVHZDCISA-N 1 0 320.477 3.051 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(C)cc1O ZINC000842884383 630589172 /nfs/dbraw/zinc/58/91/72/630589172.db2.gz JAKKVTPLHHYNAP-GJZGRUSLSA-N 1 0 304.434 3.141 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)c2c1c(F)ccc2O ZINC000842885797 630589763 /nfs/dbraw/zinc/58/97/63/630589763.db2.gz PIFZSSQSHLQTEG-WXHSDQCUSA-N 1 0 320.408 3.069 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000842929686 630594735 /nfs/dbraw/zinc/59/47/35/630594735.db2.gz RATPUXZZPKSVER-MCIONIFRSA-N 1 0 324.852 3.005 20 10 DGCDRO Cc1cccc2nc(CC[NH2+][C@@H]3CCc4cccc(O)c43)cn21 ZINC000842932937 630594798 /nfs/dbraw/zinc/59/47/98/630594798.db2.gz LLFPHSAUWRQQMT-MRXNPFEDSA-N 1 0 307.397 3.168 20 10 DGCDRO Cc1cccc2nc(CC[NH2+][C@H]3CCc4cccc(O)c43)cn21 ZINC000842932936 630594925 /nfs/dbraw/zinc/59/49/25/630594925.db2.gz LLFPHSAUWRQQMT-INIZCTEOSA-N 1 0 307.397 3.168 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)c1O ZINC000842930716 630594999 /nfs/dbraw/zinc/59/49/99/630594999.db2.gz ZOBZFXQAQMPVIH-JFGNBEQYSA-N 1 0 314.223 3.291 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843043923 630607830 /nfs/dbraw/zinc/60/78/30/630607830.db2.gz DCBWPCBMTLGFBX-HKUYNNGSSA-N 1 0 301.478 3.025 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000843048122 630608567 /nfs/dbraw/zinc/60/85/67/630608567.db2.gz OAFVERRODSYCKB-RLWBPELLSA-N 1 0 313.489 3.372 20 10 DGCDRO CC[C@@H]1CN(Cc2ccc(N(CC)CC)c(F)c2)CC[C@@H]1[NH3+] ZINC000843051990 630608780 /nfs/dbraw/zinc/60/87/80/630608780.db2.gz JMPDZTXWUCKZSP-WBVHZDCISA-N 1 0 307.457 3.231 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccc2c1OCCCO2 ZINC000843057787 630609548 /nfs/dbraw/zinc/60/95/48/630609548.db2.gz VOPDSYXPSWKYLE-UHFFFAOYSA-N 1 0 324.424 3.259 20 10 DGCDRO Cc1cc(Cl)cc(CN(CC[NH3+])Cc2ccccc2)c1O ZINC000843059198 630609866 /nfs/dbraw/zinc/60/98/66/630609866.db2.gz FWCUDBGFLKKJHO-UHFFFAOYSA-N 1 0 304.821 3.315 20 10 DGCDRO CCn1nc(CN2CCCc3cc(C[NH3+])ccc32)c2ccccc21 ZINC000843058524 630609967 /nfs/dbraw/zinc/60/99/67/630609967.db2.gz TUBDAXKONMKUBQ-UHFFFAOYSA-N 1 0 320.440 3.468 20 10 DGCDRO CCN(CCCC1CC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000843357802 630649065 /nfs/dbraw/zinc/64/90/65/630649065.db2.gz YQKWWOSDQPPCNR-UHFFFAOYSA-N 1 0 306.450 3.310 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000843417457 630654179 /nfs/dbraw/zinc/65/41/79/630654179.db2.gz UOQXQBIXDRBHCD-KBPBESRZSA-N 1 0 322.449 3.482 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000843418217 630654881 /nfs/dbraw/zinc/65/48/81/630654881.db2.gz ZGDBJQBKPXGKMV-NVXWUHKLSA-N 1 0 306.425 3.283 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843417994 630654945 /nfs/dbraw/zinc/65/49/45/630654945.db2.gz YJFYDSZGKYXYKD-PKOBYXMFSA-N 1 0 302.462 3.452 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC000843419993 630655327 /nfs/dbraw/zinc/65/53/27/630655327.db2.gz XWAFZJRQUHGMLQ-ZDUSSCGKSA-N 1 0 318.804 3.439 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)cc1C ZINC000843433268 630658044 /nfs/dbraw/zinc/65/80/44/630658044.db2.gz WAJVZNHVZRNJTJ-GOSISDBHSA-N 1 0 303.446 3.452 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c(C)n1-c1cccc(C)c1 ZINC000843504272 630663477 /nfs/dbraw/zinc/66/34/77/630663477.db2.gz PBYRAVYPHRDAFD-KBPBESRZSA-N 1 0 313.445 3.258 20 10 DGCDRO Cc1cccc2nc(CN3CCCc4cc(C[NH3+])ccc43)cn21 ZINC000844219610 630712691 /nfs/dbraw/zinc/71/26/91/630712691.db2.gz MOMRPMSGIKFOOR-UHFFFAOYSA-N 1 0 306.413 3.054 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CC2(Cl)Cl)cc1 ZINC000844399144 630724483 /nfs/dbraw/zinc/72/44/83/630724483.db2.gz HMEUNBZWOQNAPJ-GFCCVEGCSA-N 1 0 317.260 3.257 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000844400283 630724694 /nfs/dbraw/zinc/72/46/94/630724694.db2.gz ZGRNCLPBRCEBBD-UHFFFAOYSA-N 1 0 319.836 3.312 20 10 DGCDRO CCc1noc(C)c1C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400921 630724810 /nfs/dbraw/zinc/72/48/10/630724810.db2.gz HYRDLDZBALTUAU-UHFFFAOYSA-N 1 0 317.433 3.122 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(C)nc2C)cc1 ZINC000844400901 630724873 /nfs/dbraw/zinc/72/48/73/630724873.db2.gz GNCCSQHPKIZJHF-UHFFFAOYSA-N 1 0 313.445 3.275 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccnn2C(C)C)cc1 ZINC000844400810 630724900 /nfs/dbraw/zinc/72/49/00/630724900.db2.gz FJGHQICDYCMVOV-UHFFFAOYSA-N 1 0 316.449 3.041 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)[C@H](CC)CO1 ZINC000844724982 630807806 /nfs/dbraw/zinc/80/78/06/630807806.db2.gz GFUOBCNYTUXLTL-HUUCEWRRSA-N 1 0 300.402 3.330 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1CC[NH3+] ZINC000844900687 630970714 /nfs/dbraw/zinc/97/07/14/630970714.db2.gz CQEYFWAGPMEDNQ-ZWNOBZJWSA-N 1 0 300.805 3.134 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CNc3ccccc3C2)cc1 ZINC000844906957 630972705 /nfs/dbraw/zinc/97/27/05/630972705.db2.gz XBHYZYYKXCVALT-DUMMIQTOSA-N 1 0 307.441 3.392 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)ncn3C)c1 ZINC000845970611 631204161 /nfs/dbraw/zinc/20/41/61/631204161.db2.gz AHRYLDLCBSFTFY-LBPRGKRZSA-N 1 0 311.385 3.138 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000845971212 631204209 /nfs/dbraw/zinc/20/42/09/631204209.db2.gz INPTUUXQTJZMJO-IMSIIYSGSA-N 1 0 319.323 3.161 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1ccccc1F)[C@H](C)O ZINC000846012618 631206054 /nfs/dbraw/zinc/20/60/54/631206054.db2.gz GFJYMOGSTFBKEU-LIRRHRJNSA-N 1 0 316.420 3.412 20 10 DGCDRO CCC[C@@H](C)[C@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000846018686 631206224 /nfs/dbraw/zinc/20/62/24/631206224.db2.gz VZYZGCMBQZFBGA-BEFAXECRSA-N 1 0 320.477 3.051 20 10 DGCDRO COc1ccc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)cc1C ZINC000846017015 631206311 /nfs/dbraw/zinc/20/63/11/631206311.db2.gz LDJNKGBKRSUKEJ-ACJLOTCBSA-N 1 0 303.377 3.354 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c(O)c1 ZINC000846016915 631206409 /nfs/dbraw/zinc/20/64/09/631206409.db2.gz KLAPLTPHOSVILZ-XIKOKIGWSA-N 1 0 319.376 3.142 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@](C)(O)c1ccccc1 ZINC000846035739 631207269 /nfs/dbraw/zinc/20/72/69/631207269.db2.gz DIJWPHRGMLTXKD-AUUYWEPGSA-N 1 0 316.420 3.278 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)c1 ZINC000846043289 631207900 /nfs/dbraw/zinc/20/79/00/631207900.db2.gz WRTWBSPVSGCKPS-SGTLLEGYSA-N 1 0 305.418 3.257 20 10 DGCDRO CCn1cc(C[N@H+](Cc2cccc(OC)c2O)C(C)C)cn1 ZINC000846055092 631208235 /nfs/dbraw/zinc/20/82/35/631208235.db2.gz IQFSUWZTSDHNRW-UHFFFAOYSA-N 1 0 303.406 3.028 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H]1C ZINC000846055201 631208440 /nfs/dbraw/zinc/20/84/40/631208440.db2.gz JWEXOJPMPAUULT-SUNKGSAMSA-N 1 0 311.809 3.113 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cncn2C(C)C)cc1 ZINC000846051490 631208464 /nfs/dbraw/zinc/20/84/64/631208464.db2.gz IEMQQQFDSAMPBA-UHFFFAOYSA-N 1 0 316.449 3.041 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)c(O)c1 ZINC000846058473 631208757 /nfs/dbraw/zinc/20/87/57/631208757.db2.gz PLRSQUXKYOYILU-UHFFFAOYSA-N 1 0 307.777 3.440 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]CCN2CCCC2=O)cc1 ZINC000846076539 631209260 /nfs/dbraw/zinc/20/92/60/631209260.db2.gz UTHPGAVEZCYARW-UHFFFAOYSA-N 1 0 317.477 3.025 20 10 DGCDRO OCC1(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000846103838 631209676 /nfs/dbraw/zinc/20/96/76/631209676.db2.gz ZSGACISXMLKTKT-UHFFFAOYSA-N 1 0 302.462 3.319 20 10 DGCDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000846110735 631210059 /nfs/dbraw/zinc/21/00/59/631210059.db2.gz KOFLYDLHSHEDIH-HNNXBMFYSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c1O ZINC000846135738 631211380 /nfs/dbraw/zinc/21/13/80/631211380.db2.gz FUUAATDECKVATF-GFCCVEGCSA-N 1 0 315.369 3.023 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(OC)c2OC)c1O ZINC000846140911 631211534 /nfs/dbraw/zinc/21/15/34/631211534.db2.gz IUAWYTJIQGLGTI-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCN2Cc3ccccc3C2)c1O ZINC000846141945 631211585 /nfs/dbraw/zinc/21/15/85/631211585.db2.gz OLAQYPHJBIIXOX-CQSZACIVSA-N 1 0 312.413 3.067 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1O ZINC000846142429 631211600 /nfs/dbraw/zinc/21/16/00/631211600.db2.gz TWARYYXRBYMPFK-UWVGGRQHSA-N 1 0 307.312 3.019 20 10 DGCDRO COCc1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846140117 631211706 /nfs/dbraw/zinc/21/17/06/631211706.db2.gz GKZKHHOMQRQXCS-CYBMUJFWSA-N 1 0 301.386 3.398 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2c(C)cc(C)nc2OC)c1O ZINC000846142926 631211818 /nfs/dbraw/zinc/21/18/18/631211818.db2.gz BWTBAXTVIFYQPV-ZDUSSCGKSA-N 1 0 316.401 3.272 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000846144940 631211920 /nfs/dbraw/zinc/21/19/20/631211920.db2.gz ODWLNABXYFYLIZ-CZUORRHYSA-N 1 0 317.433 3.363 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C)c1O ZINC000846146990 631212134 /nfs/dbraw/zinc/21/21/34/631212134.db2.gz UBSLOJPYVSKLDM-CJNGLKHVSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)c1O ZINC000846154003 631212472 /nfs/dbraw/zinc/21/24/72/631212472.db2.gz IMIIJTLEYDOLRW-IAQYHMDHSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(C)c2)c1O ZINC000846156602 631212607 /nfs/dbraw/zinc/21/26/07/631212607.db2.gz NHSIUHCISVCJGD-CJNGLKHVSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c1O ZINC000846154039 631212612 /nfs/dbraw/zinc/21/26/12/631212612.db2.gz JDCNTVLBKJIEFM-YGRLFVJLSA-N 1 0 323.339 3.063 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846161727 631212949 /nfs/dbraw/zinc/21/29/49/631212949.db2.gz BVKJWSRKTPDJPT-UONOGXRCSA-N 1 0 319.401 3.292 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)c1O ZINC000846162403 631212962 /nfs/dbraw/zinc/21/29/62/631212962.db2.gz ARMQSIMHSZUJMF-SKDRFNHKSA-N 1 0 307.312 3.019 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1O ZINC000846161988 631213057 /nfs/dbraw/zinc/21/30/57/631213057.db2.gz DOTKTIBTDPLGGI-HOCLYGCPSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1O ZINC000846168330 631213283 /nfs/dbraw/zinc/21/32/83/631213283.db2.gz SEPISCSRWPZLDZ-WMLDXEAASA-N 1 0 315.413 3.402 20 10 DGCDRO CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000846178473 631213894 /nfs/dbraw/zinc/21/38/94/631213894.db2.gz WDISTLWAHGTIJE-LBPRGKRZSA-N 1 0 300.393 3.299 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c1O ZINC000846189004 631214443 /nfs/dbraw/zinc/21/44/43/631214443.db2.gz RVSSOBXHYNXTAO-NJSLBKSFSA-N 1 0 315.413 3.348 20 10 DGCDRO CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Cl)ccc1O ZINC000846214827 631215206 /nfs/dbraw/zinc/21/52/06/631215206.db2.gz WYNYDTRWWGVPDX-GDBMZVCRSA-N 1 0 313.825 3.018 20 10 DGCDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000846704291 631289870 /nfs/dbraw/zinc/28/98/70/631289870.db2.gz UIQCEXXXLAXETE-DGCLKSJQSA-N 1 0 315.383 3.083 20 10 DGCDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000846704292 631290053 /nfs/dbraw/zinc/29/00/53/631290053.db2.gz UIQCEXXXLAXETE-WCQYABFASA-N 1 0 315.383 3.083 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1O ZINC000847038626 631387057 /nfs/dbraw/zinc/38/70/57/631387057.db2.gz USWMAJBTYJKHOP-MRXNPFEDSA-N 1 0 321.392 3.267 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCCCO1 ZINC000847074713 631398117 /nfs/dbraw/zinc/39/81/17/631398117.db2.gz BTWLJOFSPHMYDR-JKSUJKDBSA-N 1 0 309.381 3.171 20 10 DGCDRO CCC(C)(C)[NH+]1CCN(Cc2c(O)ccc3ccncc32)CC1 ZINC000848495251 631669646 /nfs/dbraw/zinc/66/96/46/631669646.db2.gz CTKNGBQNEDLNCT-UHFFFAOYSA-N 1 0 313.445 3.247 20 10 DGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c1O ZINC000848526957 631677792 /nfs/dbraw/zinc/67/77/92/631677792.db2.gz MXEVIKPKYFJZPP-UTLUCORTSA-N 1 0 314.223 3.470 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1ccc(N2CCOCC2)cc1 ZINC000848526613 631678124 /nfs/dbraw/zinc/67/81/24/631678124.db2.gz CFNCJTIJEVIVFB-INMHGKMJSA-N 1 0 320.502 3.458 20 10 DGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCF)c1O ZINC000848536428 631683252 /nfs/dbraw/zinc/68/32/52/631683252.db2.gz RWYAMRTYBJNUCJ-MRVPVSSYSA-N 1 0 306.175 3.174 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnc(Cl)n1C ZINC000848555660 631691030 /nfs/dbraw/zinc/69/10/30/631691030.db2.gz CORDAKWDFHFVMR-CYBMUJFWSA-N 1 0 320.868 3.169 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)Cc2ccccn2)ccc1OC ZINC000848566956 631695751 /nfs/dbraw/zinc/69/57/51/631695751.db2.gz MWCGDYKQEGMWBH-OAHLLOKOSA-N 1 0 314.429 3.348 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1O ZINC000848568258 631697176 /nfs/dbraw/zinc/69/71/76/631697176.db2.gz CFTVSVIUGPYGNU-BPUTZDHNSA-N 1 0 304.434 3.068 20 10 DGCDRO CC[N@H+](Cc1cnc(Cl)n1C)Cc1ccc(N(C)C)cc1 ZINC000848877517 631767866 /nfs/dbraw/zinc/76/78/66/631767866.db2.gz SVIBDYKEHYVNTK-UHFFFAOYSA-N 1 0 306.841 3.162 20 10 DGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000848886050 631771641 /nfs/dbraw/zinc/77/16/41/631771641.db2.gz QVJZVRMYAZTBCG-UHFFFAOYSA-N 1 0 320.433 3.007 20 10 DGCDRO CCc1cccc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)OC)c1O ZINC000848891374 631774887 /nfs/dbraw/zinc/77/48/87/631774887.db2.gz QDJQIBSPAQXUCW-QAPCUYQASA-N 1 0 305.418 3.166 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c1O ZINC000848895158 631776431 /nfs/dbraw/zinc/77/64/31/631776431.db2.gz QBWSRSUIWBTBBQ-UHFFFAOYSA-N 1 0 324.424 3.137 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](=O)CC)C2)c1O ZINC000848897417 631777610 /nfs/dbraw/zinc/77/76/10/631777610.db2.gz ILYSMEPHQAYYRG-ZOCZFRKYSA-N 1 0 309.475 3.124 20 10 DGCDRO CCc1cccc(C[NH2+]C2CCC(c3nc(C)no3)CC2)c1O ZINC000848898025 631777833 /nfs/dbraw/zinc/77/78/33/631777833.db2.gz OLYSFCPPHPHVFP-UHFFFAOYSA-N 1 0 315.417 3.462 20 10 DGCDRO CCc1cccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000848899814 631778462 /nfs/dbraw/zinc/77/84/62/631778462.db2.gz UDQHSEPJYHWYTO-UHFFFAOYSA-N 1 0 311.381 3.462 20 10 DGCDRO CCc1cccc(C[NH2+]CCCc2c(C)nn(C)c2C)c1O ZINC000848900549 631778595 /nfs/dbraw/zinc/77/85/95/631778595.db2.gz NQIXRNXKPDFOJU-UHFFFAOYSA-N 1 0 301.434 3.027 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(c3nccc(C)n3)CC2)c1O ZINC000848902380 631779796 /nfs/dbraw/zinc/77/97/96/631779796.db2.gz MXOGYELPDBVACO-UHFFFAOYSA-N 1 0 311.429 3.433 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1O ZINC000848901170 631780133 /nfs/dbraw/zinc/78/01/33/631780133.db2.gz VXCCOSVRSIATHS-GOSISDBHSA-N 1 0 303.377 3.091 20 10 DGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2cccc(CC)c2O)o1 ZINC000848910536 631782613 /nfs/dbraw/zinc/78/26/13/631782613.db2.gz LAHRKHRIQGLENN-UHFFFAOYSA-N 1 0 303.358 3.014 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H]1CCCCO1 ZINC000848928018 631792519 /nfs/dbraw/zinc/79/25/19/631792519.db2.gz UETBHCFYEKCMMF-ZIAGYGMSSA-N 1 0 313.825 3.492 20 10 DGCDRO CCN(CC)c1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)cc1 ZINC000849072484 631826099 /nfs/dbraw/zinc/82/60/99/631826099.db2.gz OFNSAXQIOFHATL-OAHLLOKOSA-N 1 0 302.466 3.289 20 10 DGCDRO COc1cc(C[NH2+]Cc2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000850006517 632026347 /nfs/dbraw/zinc/02/63/47/632026347.db2.gz VUCUKOPADOCKRO-UHFFFAOYSA-N 1 0 300.402 3.383 20 10 DGCDRO CCC(O)(CC)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850098837 632056369 /nfs/dbraw/zinc/05/63/69/632056369.db2.gz NHEYOJYLEJPGAB-UHFFFAOYSA-N 1 0 309.450 3.339 20 10 DGCDRO CCC[C@](C)(O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850133927 632062922 /nfs/dbraw/zinc/06/29/22/632062922.db2.gz OAYBMHWKOGQGIQ-SFHVURJKSA-N 1 0 309.450 3.339 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)c2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850155820 632067250 /nfs/dbraw/zinc/06/72/50/632067250.db2.gz AMAWJKYOIQOQMC-GFCCVEGCSA-N 1 0 317.433 3.283 20 10 DGCDRO COc1cc(C[NH2+]C[C@H](OC)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850167429 632069723 /nfs/dbraw/zinc/06/97/23/632069723.db2.gz FWZLCVCAUNOUNK-INIZCTEOSA-N 1 0 309.450 3.459 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C1CC1 ZINC000850222406 632084296 /nfs/dbraw/zinc/08/42/96/632084296.db2.gz XLEFSYANJPQNRB-MRXNPFEDSA-N 1 0 307.434 3.213 20 10 DGCDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850249579 632093764 /nfs/dbraw/zinc/09/37/64/632093764.db2.gz DJRJGWFWPYZPBD-LMVHVUTASA-N 1 0 307.434 3.115 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850279272 632100831 /nfs/dbraw/zinc/10/08/31/632100831.db2.gz WUKLVYYTYQXPGH-MLGOLLRUSA-N 1 0 307.434 3.213 20 10 DGCDRO COc1cc(C[NH2+]C[C@H](CO)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850298187 632107963 /nfs/dbraw/zinc/10/79/63/632107963.db2.gz TYNABHPYSSBTAF-CQSZACIVSA-N 1 0 309.450 3.052 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)CC(C)(C)O)c(O)c(C(C)(C)C)c1 ZINC000850315743 632111198 /nfs/dbraw/zinc/11/11/98/632111198.db2.gz KXUBMEAGIFLSAZ-LBPRGKRZSA-N 1 0 309.450 3.337 20 10 DGCDRO COc1cncc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000850328224 632114296 /nfs/dbraw/zinc/11/42/96/632114296.db2.gz RLZXUDSUVVYPBB-HNNXBMFYSA-N 1 0 313.445 3.185 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2COC(C)(C)C2)c(C(F)(F)F)c1 ZINC000850342368 632119386 /nfs/dbraw/zinc/11/93/86/632119386.db2.gz QFDRVAXKBVCURU-LBPRGKRZSA-N 1 0 316.367 3.429 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc4cccnc4o3)C2)cc1 ZINC000850347809 632120946 /nfs/dbraw/zinc/12/09/46/632120946.db2.gz XZYVPKCYESVHMN-HNNXBMFYSA-N 1 0 323.396 3.205 20 10 DGCDRO CN(C)c1ccc(/C=C\CN[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000850351018 632121952 /nfs/dbraw/zinc/12/19/52/632121952.db2.gz JTCQYCFTRKUNFB-TUYSUELWSA-N 1 0 301.478 3.228 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]CCC(C)(C)F)c1O ZINC000850374314 632130205 /nfs/dbraw/zinc/13/02/05/632130205.db2.gz IMQRJZOTMVAKTP-UHFFFAOYSA-N 1 0 320.202 3.391 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850378322 632132121 /nfs/dbraw/zinc/13/21/21/632132121.db2.gz YNHMZXXDYLEJRM-JENIJYKNSA-N 1 0 300.446 3.049 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCC[C@H](C)O3)CC2)cc1 ZINC000850379398 632133187 /nfs/dbraw/zinc/13/31/87/632133187.db2.gz NQFDNPZGCKCJHT-HNAYVOBHSA-N 1 0 318.461 3.211 20 10 DGCDRO Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000850386493 632135236 /nfs/dbraw/zinc/13/52/36/632135236.db2.gz JUJUZVVLIMYGRA-HXUWFJFHSA-N 1 0 324.424 3.006 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)CN2CCC(C)CC2)c1O ZINC000850387661 632135632 /nfs/dbraw/zinc/13/56/32/632135632.db2.gz XHVRUIXRGFZLGA-OAHLLOKOSA-N 1 0 306.450 3.001 20 10 DGCDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000850391697 632137015 /nfs/dbraw/zinc/13/70/15/632137015.db2.gz XMVLJWZQPKWFSU-UHFFFAOYSA-N 1 0 305.809 3.336 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2SCCS2)ccc1OC ZINC000850401786 632140525 /nfs/dbraw/zinc/14/05/25/632140525.db2.gz UBHPHWDCSXCNHF-UHFFFAOYSA-N 1 0 313.488 3.127 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC3CCCCC3)cc2)CC1 ZINC000850404885 632141787 /nfs/dbraw/zinc/14/17/87/632141787.db2.gz FWRHSEMZNHBZJQ-UHFFFAOYSA-N 1 0 302.462 3.318 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)CC1 ZINC000850405852 632142450 /nfs/dbraw/zinc/14/24/50/632142450.db2.gz HMLWZNLAJMKEDI-QPJJXVBHSA-N 1 0 322.452 3.451 20 10 DGCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850405859 632142601 /nfs/dbraw/zinc/14/26/01/632142601.db2.gz IEFZHNOMWGEMSW-DOTOQJQBSA-N 1 0 302.462 3.316 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](OC)C2CCCCC2)c1O ZINC000850408046 632143035 /nfs/dbraw/zinc/14/30/35/632143035.db2.gz WEPXCPFZZBXEBN-QGZVFWFLSA-N 1 0 307.434 3.476 20 10 DGCDRO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000850419491 632147125 /nfs/dbraw/zinc/14/71/25/632147125.db2.gz FTIIERRDEIXJNE-FZKQIMNGSA-N 1 0 302.393 3.103 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c1 ZINC000850420598 632147590 /nfs/dbraw/zinc/14/75/90/632147590.db2.gz PUCRBIPBKPZWFE-FZKQIMNGSA-N 1 0 301.386 3.003 20 10 DGCDRO C[C@@H]([NH2+]C1CC(CF)(CF)C1)c1ccc(N2CCOCC2)cc1 ZINC000850427947 632149183 /nfs/dbraw/zinc/14/91/83/632149183.db2.gz IBKOTJMAHVVKOO-CQSZACIVSA-N 1 0 324.415 3.262 20 10 DGCDRO CON(C)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000850481155 632166067 /nfs/dbraw/zinc/16/60/67/632166067.db2.gz YFDXLYRRLLPYLS-INIZCTEOSA-N 1 0 305.466 3.211 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000850484262 632166901 /nfs/dbraw/zinc/16/69/01/632166901.db2.gz FYGLXESRPKOLPD-DIOULYMOSA-N 1 0 313.825 3.138 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cncc(C)c3)C2)cc1 ZINC000850488918 632168701 /nfs/dbraw/zinc/16/87/01/632168701.db2.gz PMMYDYJQYAPELR-NVXWUHKLSA-N 1 0 311.429 3.328 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C1CCOCC1 ZINC000850494741 632170569 /nfs/dbraw/zinc/17/05/69/632170569.db2.gz XURQAPUUXAFVDH-IAQYHMDHSA-N 1 0 313.825 3.138 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1)c1ccc(C)cc1O ZINC000850501809 632173222 /nfs/dbraw/zinc/17/32/22/632173222.db2.gz POIIIHFHXCFGCK-CIRFHOKZSA-N 1 0 321.461 3.307 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1cc(F)ccc1O ZINC000850501985 632173624 /nfs/dbraw/zinc/17/36/24/632173624.db2.gz QUHGDFKEJAOBNK-CYBMUJFWSA-N 1 0 315.392 3.377 20 10 DGCDRO C[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cc(F)ccc1O ZINC000850536645 632185860 /nfs/dbraw/zinc/18/58/60/632185860.db2.gz IPGLNOJVUOKXQZ-HZMBPMFUSA-N 1 0 305.324 3.325 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COc3cc(F)ccc3C2)c1O ZINC000850537795 632185916 /nfs/dbraw/zinc/18/59/16/632185916.db2.gz URUTYAHVLZHPSE-FZMZJTMJSA-N 1 0 317.360 3.194 20 10 DGCDRO COc1ccnc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1F ZINC000850536723 632185991 /nfs/dbraw/zinc/18/59/91/632185991.db2.gz MYGZWNCABNYOQT-LBPRGKRZSA-N 1 0 304.365 3.403 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000850537890 632186385 /nfs/dbraw/zinc/18/63/85/632186385.db2.gz AVRUUCKBDNQMQE-LSDHHAIUSA-N 1 0 318.461 3.458 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1cc(F)ccc1O ZINC000850541092 632186674 /nfs/dbraw/zinc/18/66/74/632186674.db2.gz ROOICCDSPAQWOX-RVSPLBMKSA-N 1 0 317.408 3.327 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)c1 ZINC000850550292 632190054 /nfs/dbraw/zinc/19/00/54/632190054.db2.gz MJYZVOWAWSDGGF-GFCCVEGCSA-N 1 0 315.417 3.253 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O ZINC000850556389 632191941 /nfs/dbraw/zinc/19/19/41/632191941.db2.gz KVKOPSZELDPPGB-VXGBXAGGSA-N 1 0 324.852 3.343 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c(O)c1 ZINC000850561028 632194543 /nfs/dbraw/zinc/19/45/43/632194543.db2.gz HMUCOPNKYJXVOA-BEFAXECRSA-N 1 0 321.461 3.227 20 10 DGCDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566649 632196468 /nfs/dbraw/zinc/19/64/68/632196468.db2.gz QIFXNOWDDCTXCE-OAHLLOKOSA-N 1 0 302.462 3.316 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc3c1OC(F)(F)O3)CC2 ZINC000850572140 632198582 /nfs/dbraw/zinc/19/85/82/632198582.db2.gz BMULZUNLEWULNL-LBPRGKRZSA-N 1 0 319.307 3.491 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)CC2 ZINC000850580064 632200931 /nfs/dbraw/zinc/20/09/31/632200931.db2.gz GJLUTNQETMGJNZ-DZGCQCFKSA-N 1 0 323.314 3.120 20 10 DGCDRO COC(CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1)OC ZINC000851715698 632472680 /nfs/dbraw/zinc/47/26/80/632472680.db2.gz BFXRWEASOLSIOU-UHFFFAOYSA-N 1 0 306.450 3.118 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000851732949 632478230 /nfs/dbraw/zinc/47/82/30/632478230.db2.gz DYJFXWDVBFDGNB-BJWYYQGGSA-N 1 0 300.446 3.253 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCCCC2=O)c(O)c1 ZINC000184867764 660193098 /nfs/dbraw/zinc/19/30/98/660193098.db2.gz BPIRSGZBBPKIGM-OAHLLOKOSA-N 1 0 304.434 3.144 20 10 DGCDRO COc1ccc(OCC[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000184903747 660194843 /nfs/dbraw/zinc/19/48/43/660194843.db2.gz QGWUVARLIFMOKZ-GFCCVEGCSA-N 1 0 305.349 3.270 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000184948216 660196525 /nfs/dbraw/zinc/19/65/25/660196525.db2.gz YEYJTDCVRRHKRD-UGSOOPFHSA-N 1 0 301.386 3.093 20 10 DGCDRO COCC1=CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000185054542 660200325 /nfs/dbraw/zinc/20/03/25/660200325.db2.gz WWMLGHMRPRNHKW-UHFFFAOYSA-N 1 0 313.397 3.333 20 10 DGCDRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185117157 660202605 /nfs/dbraw/zinc/20/26/05/660202605.db2.gz IINQSKHSAFUOST-ZBFHGGJFSA-N 1 0 317.429 3.230 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1 ZINC000185195621 660206584 /nfs/dbraw/zinc/20/65/84/660206584.db2.gz OBKFSBMZKIHWLM-WMZOPIPTSA-N 1 0 307.434 3.474 20 10 DGCDRO COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)C2 ZINC000185334922 660215643 /nfs/dbraw/zinc/21/56/43/660215643.db2.gz LRPKKCKUJSHTPG-BXUZGUMPSA-N 1 0 317.360 3.194 20 10 DGCDRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)C2 ZINC000185334734 660215646 /nfs/dbraw/zinc/21/56/46/660215646.db2.gz BHRHPJRVPOOGAD-DZGCQCFKSA-N 1 0 313.397 3.364 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCOCC2CCOCC2)c(O)c1 ZINC000185520407 660226903 /nfs/dbraw/zinc/22/69/03/660226903.db2.gz GHFRAPKNTMBLIC-HNNXBMFYSA-N 1 0 307.434 3.185 20 10 DGCDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cc(F)ccc1O ZINC000185647591 660235290 /nfs/dbraw/zinc/23/52/90/660235290.db2.gz OQWPFQXGJGXHNI-ZDUSSCGKSA-N 1 0 320.383 3.453 20 10 DGCDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185790995 660242357 /nfs/dbraw/zinc/24/23/57/660242357.db2.gz QDIJVLHHCNANGT-STQMWFEESA-N 1 0 321.442 3.019 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c1 ZINC000186230403 660350585 /nfs/dbraw/zinc/35/05/85/660350585.db2.gz AHDNILWWKXMFCB-GJZGRUSLSA-N 1 0 305.418 3.427 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)c1 ZINC000186480735 660446295 /nfs/dbraw/zinc/44/62/95/660446295.db2.gz GSIUGDVKVJKBQB-AWEZNQCLSA-N 1 0 309.413 3.481 20 10 DGCDRO CCC[C@H](C[NH2+]Cc1ccc(Br)cc1O)OC ZINC000701189918 660658998 /nfs/dbraw/zinc/65/89/98/660658998.db2.gz CKWUAUKETMBKGX-GFCCVEGCSA-N 1 0 302.212 3.059 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000701856659 660690729 /nfs/dbraw/zinc/69/07/29/660690729.db2.gz VQAIPOPOQCCSEQ-SFHVURJKSA-N 1 0 320.433 3.190 20 10 DGCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1c(O)cccc1Br ZINC000706835327 660874112 /nfs/dbraw/zinc/87/41/12/660874112.db2.gz SYNGPCWQVJFKTO-NSHDSACASA-N 1 0 321.218 3.271 20 10 DGCDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC000706857907 660875068 /nfs/dbraw/zinc/87/50/68/660875068.db2.gz NUFNUYYOTSCCPJ-SNVBAGLBSA-N 1 0 316.239 3.041 20 10 DGCDRO CO[C@@H]([C@@H](C)[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706881082 660879339 /nfs/dbraw/zinc/87/93/39/660879339.db2.gz LXTYEQUPPVIWNJ-OTYXRUKQSA-N 1 0 314.223 3.058 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1Br)C[C@@H]1CCCOC1 ZINC000707139471 660889964 /nfs/dbraw/zinc/88/99/64/660889964.db2.gz JDDRNEGVTBQHKN-NSHDSACASA-N 1 0 314.223 3.013 20 10 DGCDRO CO[C@]1(C)CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707146315 660893584 /nfs/dbraw/zinc/89/35/84/660893584.db2.gz NBHKGFPIMAFEKW-CQSZACIVSA-N 1 0 314.223 3.156 20 10 DGCDRO CO[C@@H](C)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792952453 660996673 /nfs/dbraw/zinc/99/66/73/660996673.db2.gz ZMPMECFUAFXPJE-NSHDSACASA-N 1 0 304.356 3.286 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]2(C)CO)c(C(F)(F)F)c1 ZINC000793157877 661008346 /nfs/dbraw/zinc/00/83/46/661008346.db2.gz KKHWGFZJDCKADP-HNNXBMFYSA-N 1 0 316.367 3.118 20 10 DGCDRO COc1cc(Br)cc(C[N@H+]2[C@H](C)C[C@@H]2C)c1O ZINC000793220117 661014172 /nfs/dbraw/zinc/01/41/72/661014172.db2.gz JYPKDPQHAFWEKH-DTORHVGOSA-N 1 0 300.196 3.146 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ncccc2O)cc1F ZINC000793255360 661018398 /nfs/dbraw/zinc/01/83/98/661018398.db2.gz HNUCCBJPEMDAGQ-UHFFFAOYSA-N 1 0 303.381 3.062 20 10 DGCDRO Cc1cccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)c1C ZINC000793570349 661046678 /nfs/dbraw/zinc/04/66/78/661046678.db2.gz MJFJKTZQXDSHRS-SFHVURJKSA-N 1 0 313.397 3.067 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000793612065 661049996 /nfs/dbraw/zinc/04/99/96/661049996.db2.gz IZIKSCIWSROINQ-UONOGXRCSA-N 1 0 316.228 3.417 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000794659145 661096609 /nfs/dbraw/zinc/09/66/09/661096609.db2.gz LMHBKJYFTMOUQX-PWSUYJOCSA-N 1 0 303.324 3.482 20 10 DGCDRO CC[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(C)cc1O ZINC000794802854 661106080 /nfs/dbraw/zinc/10/60/80/661106080.db2.gz OYJYUSDNPVXCMJ-DOTOQJQBSA-N 1 0 307.434 3.185 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CO)c1ccccc1OC)c1ccc(C)cc1O ZINC000794812506 661106708 /nfs/dbraw/zinc/10/67/08/661106708.db2.gz WSDYQUULWQFEKZ-IAGOWNOFSA-N 1 0 315.413 3.484 20 10 DGCDRO c1csc(SCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000795213266 661133735 /nfs/dbraw/zinc/13/37/35/661133735.db2.gz AXTVGKKMQQVGOV-UHFFFAOYSA-N 1 0 319.499 3.448 20 10 DGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2O)C1(C)C ZINC000160285230 655586527 /nfs/dbraw/zinc/58/65/27/655586527.db2.gz MOEJHRSHFUTUID-SJORKVTESA-N 1 0 323.433 3.045 20 10 DGCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000177224943 655599705 /nfs/dbraw/zinc/59/97/05/655599705.db2.gz BGRGNHNCPIMCMZ-SFHVURJKSA-N 1 0 305.418 3.209 20 10 DGCDRO COc1cc(C[NH+]2CCN(c3cccs3)CC2)c(O)cc1C ZINC000160394151 655628883 /nfs/dbraw/zinc/62/88/83/655628883.db2.gz NDNJQJUMHURJHZ-UHFFFAOYSA-N 1 0 318.442 3.093 20 10 DGCDRO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697248 661168261 /nfs/dbraw/zinc/16/82/61/661168261.db2.gz CAJNXWKHSXNFNK-HNAYVOBHSA-N 1 0 314.473 3.330 20 10 DGCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(OC)c(C)cc1O)C2 ZINC000795720728 661169866 /nfs/dbraw/zinc/16/98/66/661169866.db2.gz OMJDLODJTLDVKT-UHFFFAOYSA-N 1 0 305.418 3.100 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC000933080503 655674315 /nfs/dbraw/zinc/67/43/15/655674315.db2.gz FUNNKVKNDVVERC-SFHVURJKSA-N 1 0 302.462 3.391 20 10 DGCDRO CNC(=O)C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000795850651 661175861 /nfs/dbraw/zinc/17/58/61/661175861.db2.gz CBANYBKCKMZUKZ-MLGOLLRUSA-N 1 0 316.376 3.059 20 10 DGCDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000318038049 655840015 /nfs/dbraw/zinc/84/00/15/655840015.db2.gz RJOYPYMMTNBHRB-CYBMUJFWSA-N 1 0 300.402 3.064 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2Cc3ccccc3C[C@H]2C)cc1OC ZINC000179445039 655893015 /nfs/dbraw/zinc/89/30/15/655893015.db2.gz GMMHCVTZOFTGQL-CYBMUJFWSA-N 1 0 313.397 3.356 20 10 DGCDRO CCOC[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000177630950 655936199 /nfs/dbraw/zinc/93/61/99/655936199.db2.gz XWTIBPYVDXJGRS-ZDUSSCGKSA-N 1 0 307.434 3.254 20 10 DGCDRO COCC1(C[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000311239090 655984775 /nfs/dbraw/zinc/98/47/75/655984775.db2.gz XXWVZNCBDIJNSD-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(N(C)C)CCCCC2)c1 ZINC000314422470 656071723 /nfs/dbraw/zinc/07/17/23/656071723.db2.gz XUPFRJZLRPUMNT-CQSZACIVSA-N 1 0 306.450 3.316 20 10 DGCDRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2O)CCN1Cc1ccccc1 ZINC000309849985 656079550 /nfs/dbraw/zinc/07/95/50/656079550.db2.gz ZTJAVIMYEJJSHB-KDOFPFPSSA-N 1 0 314.404 3.284 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)cc1 ZINC000716293433 661221668 /nfs/dbraw/zinc/22/16/68/661221668.db2.gz SFAFMZBHDBUKDF-HXUWFJFHSA-N 1 0 309.457 3.117 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(F)ccc1O ZINC000185443814 656126335 /nfs/dbraw/zinc/12/63/35/656126335.db2.gz QAPUFFBBNAEICK-LBPRGKRZSA-N 1 0 302.349 3.211 20 10 DGCDRO Cn1cc(CC[NH2+]Cc2cc(F)ccc2O)c2ccc(F)cc21 ZINC000186474649 656131871 /nfs/dbraw/zinc/13/18/71/656131871.db2.gz FIWOLEMRPJUCIV-UHFFFAOYSA-N 1 0 316.351 3.494 20 10 DGCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186776207 656133874 /nfs/dbraw/zinc/13/38/74/656133874.db2.gz LWBSPINMLFKSGD-NWDGAFQWSA-N 1 0 324.396 3.049 20 10 DGCDRO COc1cccc(C[NH+]2CCN(c3ccccc3C)CC2)c1O ZINC000162445121 656149595 /nfs/dbraw/zinc/14/95/95/656149595.db2.gz ZHKOSRCMJGFZSV-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO CC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000236775184 656389651 /nfs/dbraw/zinc/38/96/51/656389651.db2.gz NCSNKYUBBMFQBE-UHFFFAOYSA-N 1 0 306.425 3.475 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000840931420 656445362 /nfs/dbraw/zinc/44/53/62/656445362.db2.gz GMTLMKOZLWNDNX-UHFFFAOYSA-N 1 0 313.401 3.302 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000724912014 656529692 /nfs/dbraw/zinc/52/96/92/656529692.db2.gz GWYOWXFCOZZJSA-ZIAGYGMSSA-N 1 0 320.433 3.361 20 10 DGCDRO CC1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000066970312 656579734 /nfs/dbraw/zinc/57/97/34/656579734.db2.gz LABIXAFDIXOFNQ-UHFFFAOYSA-N 1 0 306.425 3.331 20 10 DGCDRO C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc(F)ccc1O ZINC000317536500 656629026 /nfs/dbraw/zinc/62/90/26/656629026.db2.gz KXOWZZOBFOXUKX-WBMJQRKESA-N 1 0 305.397 3.493 20 10 DGCDRO Cc1cccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000319105540 656904148 /nfs/dbraw/zinc/90/41/48/656904148.db2.gz WWJOVNXFSYPGFV-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)C1(CC)CC ZINC000236988201 657037759 /nfs/dbraw/zinc/03/77/59/657037759.db2.gz SQAQWNGWIIWHPU-IRXDYDNUSA-N 1 0 307.434 3.474 20 10 DGCDRO CCC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001029030982 657276768 /nfs/dbraw/zinc/27/67/68/657276768.db2.gz HYGLBAVPSWMJII-OAHLLOKOSA-N 1 0 318.461 3.130 20 10 DGCDRO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000067382631 657355921 /nfs/dbraw/zinc/35/59/21/657355921.db2.gz CYQXSEAQVCNYAB-INIZCTEOSA-N 1 0 318.461 3.172 20 10 DGCDRO CCC[C@](C)([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000320249093 657468874 /nfs/dbraw/zinc/46/88/74/657468874.db2.gz PKHKTQKKJIWWJD-IBGZPJMESA-N 1 0 317.477 3.153 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324931159 657597065 /nfs/dbraw/zinc/59/70/65/657597065.db2.gz NRTIVEODZTXEJL-LJQANCHMSA-N 1 0 300.446 3.192 20 10 DGCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cc(Cl)ccc2O)c(C)o1 ZINC000304345549 657707847 /nfs/dbraw/zinc/70/78/47/657707847.db2.gz UIOVVQJZQNZPFP-MRXNPFEDSA-N 1 0 309.793 3.253 20 10 DGCDRO C/C=C(\C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC000986131448 657993875 /nfs/dbraw/zinc/99/38/75/657993875.db2.gz DBTGGBXBCOKTKA-PNWPSHNFSA-N 1 0 316.445 3.049 20 10 DGCDRO CC[N@@H+](Cc1cc(OC)ccc1O)C[C@@H](O)c1ccc(C)cc1 ZINC000305779368 658043166 /nfs/dbraw/zinc/04/31/66/658043166.db2.gz NFPJMUAGDLKDTE-LJQANCHMSA-N 1 0 315.413 3.265 20 10 DGCDRO C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cc(F)ccc1O ZINC000321682555 658290488 /nfs/dbraw/zinc/29/04/88/658290488.db2.gz NFKCOWZDPQATNI-LBPRGKRZSA-N 1 0 322.424 3.219 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2cccc(C)n2)ccc1OC ZINC000280516602 658663503 /nfs/dbraw/zinc/66/35/03/658663503.db2.gz HIXDPNFKSKDSPT-UHFFFAOYSA-N 1 0 314.429 3.267 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c1O ZINC000164468539 658935167 /nfs/dbraw/zinc/93/51/67/658935167.db2.gz UPXKQRYXJCTWQB-MRXNPFEDSA-N 1 0 307.434 3.346 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)cc1 ZINC000157650950 659074416 /nfs/dbraw/zinc/07/44/16/659074416.db2.gz OCNZLAROFHONSN-CRAIPNDOSA-N 1 0 301.478 3.278 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000129772276 659091257 /nfs/dbraw/zinc/09/12/57/659091257.db2.gz VEUPCUROFWUSHQ-UHFFFAOYSA-N 1 0 305.418 3.174 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC000227687560 659161107 /nfs/dbraw/zinc/16/11/07/659161107.db2.gz NWYSCQHVPWGZOG-SNVBAGLBSA-N 1 0 314.813 3.048 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCc2nc(C)cs2)c1O ZINC000228670976 659202325 /nfs/dbraw/zinc/20/23/25/659202325.db2.gz FXMLNGQMIFUWTN-UHFFFAOYSA-N 1 0 312.822 3.151 20 10 DGCDRO [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]21 ZINC000230126151 659312881 /nfs/dbraw/zinc/31/28/81/659312881.db2.gz KPPIOEMCUDJPDM-DUFXMDAXSA-N 1 0 315.244 3.258 20 10 DGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000172120358 659317608 /nfs/dbraw/zinc/31/76/08/659317608.db2.gz OMCCKULSNCMATJ-LBPRGKRZSA-N 1 0 310.413 3.102 20 10 DGCDRO C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)c1ccccc1O ZINC000230406513 659327626 /nfs/dbraw/zinc/32/76/26/659327626.db2.gz UMUYRNWFKBRHOZ-ZDUSSCGKSA-N 1 0 320.433 3.490 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCSC[C@H]3C)c2c1 ZINC000172515506 659342349 /nfs/dbraw/zinc/34/23/49/659342349.db2.gz AUHMIQRJYZFNOY-GFCCVEGCSA-N 1 0 303.427 3.491 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172798543 659357579 /nfs/dbraw/zinc/35/75/79/659357579.db2.gz OAYKLLPDYULSHM-CQSZACIVSA-N 1 0 320.433 3.081 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)c2nccs2)c1O ZINC000230935865 659359644 /nfs/dbraw/zinc/35/96/44/659359644.db2.gz MGACHUNJQJBBDD-SECBINFHSA-N 1 0 312.822 3.404 20 10 DGCDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000173484298 659389149 /nfs/dbraw/zinc/38/91/49/659389149.db2.gz WTDHKUBPKPHWRN-QWHCGFSZSA-N 1 0 309.431 3.227 20 10 DGCDRO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc(F)ccc1O ZINC000179891006 659944753 /nfs/dbraw/zinc/94/47/53/659944753.db2.gz NBPCMBHGGZVHHV-UHFFFAOYSA-N 1 0 311.360 3.349 20 10 DGCDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000180253119 659957188 /nfs/dbraw/zinc/95/71/88/659957188.db2.gz PPLWDIJIROWFRF-AMXDTQDGSA-N 1 0 321.417 3.462 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000180395200 659961513 /nfs/dbraw/zinc/96/15/13/659961513.db2.gz WPVCICPIMYKJKT-MRXNPFEDSA-N 1 0 318.392 3.441 20 10 DGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(OC)ccc2O)C12CCC2 ZINC000180749136 659969463 /nfs/dbraw/zinc/96/94/63/659969463.db2.gz FXAXBWWGAZKLHM-IRXDYDNUSA-N 1 0 305.418 3.180 20 10 DGCDRO CCCCC[N@H+](CC(N)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000180809570 659971262 /nfs/dbraw/zinc/97/12/62/659971262.db2.gz CLNLGEZEPSQEIW-UHFFFAOYSA-N 1 0 317.477 3.154 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NCCC(C)C ZINC000076074111 660086783 /nfs/dbraw/zinc/08/67/83/660086783.db2.gz PBBOXHAYCHEHCX-OAHLLOKOSA-N 1 0 306.450 3.155 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccccc1O ZINC000183671831 660129777 /nfs/dbraw/zinc/12/97/77/660129777.db2.gz VNJJPCCTWGPJGR-DGSCNEQVSA-N 1 0 305.418 3.365 20 10 DGCDRO CC(C)([NH2+]Cc1cc(F)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000184063853 660154414 /nfs/dbraw/zinc/15/44/14/660154414.db2.gz MNFSPLSEJRVMAH-UHFFFAOYSA-N 1 0 304.321 3.464 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)cc1 ZINC000934495555 661711875 /nfs/dbraw/zinc/71/18/75/661711875.db2.gz XEFRNRNHJPVPPB-SFHVURJKSA-N 1 0 322.456 3.132 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1C ZINC000042909554 661842637 /nfs/dbraw/zinc/84/26/37/661842637.db2.gz ZPKDLCIERZIQRU-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO COCCO[C@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000188928943 661954140 /nfs/dbraw/zinc/95/41/40/661954140.db2.gz VNFAHLLFVGPZFP-INIZCTEOSA-N 1 0 307.434 3.061 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000192156421 662089425 /nfs/dbraw/zinc/08/94/25/662089425.db2.gz PYZLWHJKTLLOPT-NSHDSACASA-N 1 0 300.333 3.262 20 10 DGCDRO C1=CO[C@@H](C[NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000194228925 662161132 /nfs/dbraw/zinc/16/11/32/662161132.db2.gz KQTXNAKMLPSSOJ-QGZVFWFLSA-N 1 0 304.459 3.022 20 10 DGCDRO CCCN(Cc1cc(C(=O)OC)c(C)o1)c1ccc(C[NH3+])cc1 ZINC000194980651 662176716 /nfs/dbraw/zinc/17/67/16/662176716.db2.gz OVBXLUNFXNAAOH-UHFFFAOYSA-N 1 0 316.401 3.250 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000090178561 662255004 /nfs/dbraw/zinc/25/50/04/662255004.db2.gz SPZFODGSSWFYRY-GDBMZVCRSA-N 1 0 317.477 3.193 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000090795446 662277946 /nfs/dbraw/zinc/27/79/46/662277946.db2.gz WGTBAGIQGSFAES-QRWLVFNGSA-N 1 0 310.441 3.237 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)Cc2cc(Br)cn2C)c1 ZINC000091961671 662326003 /nfs/dbraw/zinc/32/60/03/662326003.db2.gz KDWWJNQIQHVKAS-UHFFFAOYSA-N 1 0 323.234 3.434 20 10 DGCDRO COc1cc(Br)cc(C[N@H+](C)CCC2CC2)c1O ZINC000092067071 662327294 /nfs/dbraw/zinc/32/72/94/662327294.db2.gz OXBGWBJDXYHFAZ-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000092485590 662331957 /nfs/dbraw/zinc/33/19/57/662331957.db2.gz GQXMMVGSWMXUHF-MJGOQNOKSA-N 1 0 300.446 3.288 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccnc1 ZINC000092739795 662335304 /nfs/dbraw/zinc/33/53/04/662335304.db2.gz OKPWAXJNYVDHMK-OAHLLOKOSA-N 1 0 313.470 3.486 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)cc1OC ZINC000248416838 662344759 /nfs/dbraw/zinc/34/47/59/662344759.db2.gz JBJFYXSHUBABNA-NWANDNLSSA-N 1 0 305.418 3.420 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000093441969 662354833 /nfs/dbraw/zinc/35/48/33/662354833.db2.gz GKKNWJWZXRGXBS-HDICACEKSA-N 1 0 300.446 3.145 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c1 ZINC000093538636 662356542 /nfs/dbraw/zinc/35/65/42/662356542.db2.gz RAMWVXGWEYMBTI-UHFFFAOYSA-N 1 0 308.422 3.047 20 10 DGCDRO CC[N@@H+](Cc1cccc(OC)c1O)C[C@@H](O)c1ccc(C)cc1 ZINC000093641072 662358387 /nfs/dbraw/zinc/35/83/87/662358387.db2.gz KWUKKOWAFIZGSG-QGZVFWFLSA-N 1 0 315.413 3.265 20 10 DGCDRO CCC[C@@]1([NH2+]Cc2cc(Br)ccc2O)CCOC1 ZINC000378767651 685144436 /nfs/dbraw/zinc/14/44/36/685144436.db2.gz YWHJIHBHLYGZNI-CQSZACIVSA-N 1 0 314.223 3.204 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCSC2)c1O ZINC000384084580 685169752 /nfs/dbraw/zinc/16/97/52/685169752.db2.gz APYLIBMWTFSAEP-SNVBAGLBSA-N 1 0 301.839 3.287 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CC)[C@H](C)O)c1cc(Br)ccc1O ZINC000386737623 685180178 /nfs/dbraw/zinc/18/01/78/685180178.db2.gz XGZHESWKNOOCHL-XDTLVQLUSA-N 1 0 316.239 3.355 20 10 DGCDRO CC1(C)CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000389153257 685192241 /nfs/dbraw/zinc/19/22/41/685192241.db2.gz VOAGJFGJLSFEHR-KRWDZBQOSA-N 1 0 302.462 3.439 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCc3ccccc3CC2)c1O ZINC000391294339 685210088 /nfs/dbraw/zinc/21/00/88/685210088.db2.gz WPBVVCGTGVCTSG-UHFFFAOYSA-N 1 0 313.372 3.335 20 10 DGCDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000393385768 685217151 /nfs/dbraw/zinc/21/71/51/685217151.db2.gz NBOROQPUIPLNBM-GFCCVEGCSA-N 1 0 315.369 3.289 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000397887501 685232916 /nfs/dbraw/zinc/23/29/16/685232916.db2.gz QPMDOBSRCXFQOA-ZDUSSCGKSA-N 1 0 320.433 3.218 20 10 DGCDRO CCCC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001577400691 1191897776 /nfs/dbraw/zinc/89/77/76/1191897776.db2.gz FEBVXASCKYVQKJ-QGZVFWFLSA-N 1 0 305.466 3.009 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC001577697509 1191913257 /nfs/dbraw/zinc/91/32/57/1191913257.db2.gz LZRYVTARRGDFPD-DLBZAZTESA-N 1 0 317.477 3.009 20 10 DGCDRO CCOC(=O)[C@H](c1ccccc1)N1CCCc2cc(C[NH3+])ccc21 ZINC001577925589 1191918761 /nfs/dbraw/zinc/91/87/61/1191918761.db2.gz LOYFEFHOVHZTDU-IBGZPJMESA-N 1 0 324.424 3.202 20 10 DGCDRO [NH3+]C[C@]12C[N@H+](Cc3c([O-])ccc(Cl)c3F)C[C@H]1CCCC2 ZINC001580256807 1192016845 /nfs/dbraw/zinc/01/68/45/1192016845.db2.gz YNHAUXUQZFHCCC-BDJLRTHQSA-N 1 0 312.816 3.136 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H](O)CC(C)(C)C)ccc1OC ZINC001620796233 1192031567 /nfs/dbraw/zinc/03/15/67/1192031567.db2.gz DTTLNHFOULEDPH-INIZCTEOSA-N 1 0 309.450 3.118 20 10 DGCDRO CC(C)CCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001620709642 1192071261 /nfs/dbraw/zinc/07/12/61/1192071261.db2.gz RLWVGMYHDBWTOT-UHFFFAOYSA-N 1 0 307.457 3.103 20 10 DGCDRO CC(C)[C@@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001620802029 1192083619 /nfs/dbraw/zinc/08/36/19/1192083619.db2.gz YJFDSQYWNNGUTA-HNNXBMFYSA-N 1 0 318.383 3.268 20 10 DGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC001621287871 1192676351 /nfs/dbraw/zinc/67/63/51/1192676351.db2.gz OQBHWWYGRRNTTN-SFHVURJKSA-N 1 0 307.434 3.490 20 10 DGCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001597737456 1192744699 /nfs/dbraw/zinc/74/46/99/1192744699.db2.gz XLENZVOZNIBDSF-ZDUSSCGKSA-N 1 0 314.429 3.328 20 10 DGCDRO OCC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCCC1 ZINC000387570872 1177897839 /nfs/dbraw/zinc/89/78/39/1177897839.db2.gz NOWSZFYRNCEKJK-UHFFFAOYSA-N 1 0 302.462 3.319 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)CCC(C)C)cc1C ZINC001154460585 1177912110 /nfs/dbraw/zinc/91/21/10/1177912110.db2.gz YTESUSDGBDEKSS-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO OCC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001331538997 1178240007 /nfs/dbraw/zinc/24/00/07/1178240007.db2.gz JBJVGCSTBVQUOU-QGZVFWFLSA-N 1 0 302.462 3.271 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1cc(N(C)C)ccn1 ZINC001331995167 1178332467 /nfs/dbraw/zinc/33/24/67/1178332467.db2.gz BNRCRKQYIVRKHD-CJNGLKHVSA-N 1 0 311.429 3.500 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC001332336889 1178422540 /nfs/dbraw/zinc/42/25/40/1178422540.db2.gz ZWMIUNGUFAKDBU-LJQANCHMSA-N 1 0 318.461 3.310 20 10 DGCDRO OC1(C2CCC2)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001343099539 1179233630 /nfs/dbraw/zinc/23/36/30/1179233630.db2.gz YWYAZNIRSOEWAN-UHFFFAOYSA-N 1 0 314.473 3.414 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C)C(C)C ZINC001344437768 1179433226 /nfs/dbraw/zinc/43/32/26/1179433226.db2.gz JANMFPYTEUAZDB-LBTNJELSSA-N 1 0 318.461 3.341 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)cc1C ZINC001621047779 1192959723 /nfs/dbraw/zinc/95/97/23/1192959723.db2.gz DQJVJMNJGJRUHX-SFHVURJKSA-N 1 0 317.429 3.318 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCOC12CCOCC2 ZINC001345124524 1179529830 /nfs/dbraw/zinc/52/98/30/1179529830.db2.gz VKFQCIOVBFCRAP-FMKPAKJESA-N 1 0 317.429 3.177 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC001345143632 1179532681 /nfs/dbraw/zinc/53/26/81/1179532681.db2.gz WIVWMLYJIGOMTF-UPJWGTAASA-N 1 0 310.388 3.178 20 10 DGCDRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001345160048 1179535973 /nfs/dbraw/zinc/53/59/73/1179535973.db2.gz QDXQRFYGEOXFST-OAHLLOKOSA-N 1 0 312.413 3.080 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](c1nncn1C)C(C)C ZINC001353932187 1180687218 /nfs/dbraw/zinc/68/72/18/1180687218.db2.gz GXVYTGFVVAFUKS-XNJGSVPQSA-N 1 0 314.433 3.364 20 10 DGCDRO COc1ccsc1C[NH2+]CCCSc1nccs1 ZINC001200692546 1180827460 /nfs/dbraw/zinc/82/74/60/1180827460.db2.gz QPBLNJPWZUPVRJ-UHFFFAOYSA-N 1 0 300.474 3.485 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)oc2C)c(O)c1OC ZINC001355242456 1181019425 /nfs/dbraw/zinc/01/94/25/1181019425.db2.gz BCPSTJFVDGXPKE-LLVKDONJSA-N 1 0 305.374 3.470 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c(O)c1OC ZINC001355321790 1181035956 /nfs/dbraw/zinc/03/59/56/1181035956.db2.gz SOTKNTCHENWCIH-ZBEGNZNMSA-N 1 0 315.369 3.021 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)c1c[nH]c2ncccc12 ZINC001460636478 1182701603 /nfs/dbraw/zinc/70/16/03/1182701603.db2.gz JHYMFZXPVSFJBN-VXGBXAGGSA-N 1 0 309.369 3.191 20 10 DGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccccc1O ZINC001460636586 1182702145 /nfs/dbraw/zinc/70/21/45/1182702145.db2.gz IOHFEUXTNFDGBK-LBPRGKRZSA-N 1 0 318.804 3.013 20 10 DGCDRO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1O ZINC001460636248 1182702189 /nfs/dbraw/zinc/70/21/89/1182702189.db2.gz GPMXQHXWOFNPPG-VIFPVBQESA-N 1 0 308.284 3.429 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)n1 ZINC001461111516 1182768859 /nfs/dbraw/zinc/76/88/59/1182768859.db2.gz GQBLVNXXYZFLBU-UHFFFAOYSA-N 1 0 311.429 3.153 20 10 DGCDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001461264016 1182789485 /nfs/dbraw/zinc/78/94/85/1182789485.db2.gz BQRQTVOFCUKHPL-QGZVFWFLSA-N 1 0 306.425 3.331 20 10 DGCDRO FCC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCOCC1 ZINC001461515602 1182821727 /nfs/dbraw/zinc/82/17/27/1182821727.db2.gz NQZGUCMXECTUAC-UHFFFAOYSA-N 1 0 306.425 3.143 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CC2CCCCC2)cc1F ZINC001461591380 1182833367 /nfs/dbraw/zinc/83/33/67/1182833367.db2.gz JAPYHDLWUJVNHC-MRXNPFEDSA-N 1 0 308.441 3.313 20 10 DGCDRO CC1CCC(O)(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001461670903 1182839968 /nfs/dbraw/zinc/83/99/68/1182839968.db2.gz NSVXHGJODOJGGC-UHFFFAOYSA-N 1 0 312.404 3.062 20 10 DGCDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461665233 1182841094 /nfs/dbraw/zinc/84/10/94/1182841094.db2.gz CAPZWXZTUIOGSF-HNNXBMFYSA-N 1 0 319.468 3.246 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C ZINC001461780205 1182853420 /nfs/dbraw/zinc/85/34/20/1182853420.db2.gz ZHSSTZJTBGAPNZ-CQSZACIVSA-N 1 0 324.440 3.349 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC001461971998 1182887892 /nfs/dbraw/zinc/88/78/92/1182887892.db2.gz TZXDQTRVTANMNW-KRWDZBQOSA-N 1 0 312.457 3.444 20 10 DGCDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001462213953 1182925059 /nfs/dbraw/zinc/92/50/59/1182925059.db2.gz GDRCLWCLEOGRCI-OAQYLSRUSA-N 1 0 323.845 3.214 20 10 DGCDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001462213951 1182925123 /nfs/dbraw/zinc/92/51/23/1182925123.db2.gz GDRCLWCLEOGRCI-NRFANRHFSA-N 1 0 323.845 3.214 20 10 DGCDRO CN(C)c1ccc(/C=C/CN(C)CC[NH+]2CCCCC2)cc1 ZINC001462396145 1182946694 /nfs/dbraw/zinc/94/66/94/1182946694.db2.gz YZWCGGURYXLJJH-BQYQJAHWSA-N 1 0 301.478 3.184 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2COc3cccc(C)c3C2)c1O ZINC001462458790 1182954721 /nfs/dbraw/zinc/95/47/21/1182954721.db2.gz VJHXCJKMESAZQV-HNNXBMFYSA-N 1 0 313.397 3.111 20 10 DGCDRO CC1(F)CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC001462479541 1182958286 /nfs/dbraw/zinc/95/82/86/1182958286.db2.gz YSEZZCUVWVEHQN-UHFFFAOYSA-N 1 0 302.187 3.479 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)cc1Cl ZINC001462571686 1182970338 /nfs/dbraw/zinc/97/03/38/1182970338.db2.gz BNZWXPZSBHCYLE-CYBMUJFWSA-N 1 0 324.774 3.326 20 10 DGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCCCC1 ZINC001473912577 1183825840 /nfs/dbraw/zinc/82/58/40/1183825840.db2.gz QAAOPHZNSWGSRP-UHFFFAOYSA-N 1 0 302.462 3.366 20 10 DGCDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001473985597 1183843786 /nfs/dbraw/zinc/84/37/86/1183843786.db2.gz ZBUTZPYHEJBDOX-UHFFFAOYSA-N 1 0 320.433 3.016 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2CCSCC2)ccc1OC ZINC001473994768 1183845860 /nfs/dbraw/zinc/84/58/60/1183845860.db2.gz DXAKVWDRBPOTBC-UHFFFAOYSA-N 1 0 309.475 3.465 20 10 DGCDRO CCC(C)(C)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001474112764 1183869786 /nfs/dbraw/zinc/86/97/86/1183869786.db2.gz OQFQWZWWEZLZLU-UHFFFAOYSA-N 1 0 301.434 3.466 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC001474137481 1183873307 /nfs/dbraw/zinc/87/33/07/1183873307.db2.gz FRXQDLGPWIGAFP-PRPIBZDOSA-N 1 0 313.489 3.372 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@](C)(O)c1ccccc1 ZINC001474198535 1183881299 /nfs/dbraw/zinc/88/12/99/1183881299.db2.gz NSKWNKOFTPDGFP-QRWLVFNGSA-N 1 0 311.425 3.397 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@](C)(O)c1ccccc1 ZINC001474198536 1183881643 /nfs/dbraw/zinc/88/16/43/1183881643.db2.gz NSKWNKOFTPDGFP-YWZLYKJASA-N 1 0 311.425 3.397 20 10 DGCDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CS1 ZINC001474292157 1183898560 /nfs/dbraw/zinc/89/85/60/1183898560.db2.gz XHSSPICJDRUKPS-UWWQBHOKSA-N 1 0 321.534 3.229 20 10 DGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001474331043 1183904985 /nfs/dbraw/zinc/90/49/85/1183904985.db2.gz NOBHZDLSCLCYSF-HNNXBMFYSA-N 1 0 305.809 3.425 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(Cl)cc1O ZINC001474395977 1183914174 /nfs/dbraw/zinc/91/41/74/1183914174.db2.gz ANWJFYXBADAWCB-CJNGLKHVSA-N 1 0 311.809 3.257 20 10 DGCDRO C[N@H+](Cc1cccnc1)Cc1ccc(Br)cc1O ZINC001474430132 1183920787 /nfs/dbraw/zinc/92/07/87/1183920787.db2.gz YCRIDOIJIWYKDL-UHFFFAOYSA-N 1 0 307.191 3.182 20 10 DGCDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(C(C)C)ccc2O)C1(C)C ZINC001474445668 1183923336 /nfs/dbraw/zinc/92/33/36/1183923336.db2.gz IRRKKWRJUNPFJF-IEBWSBKVSA-N 1 0 321.461 3.171 20 10 DGCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)cc2O)C1 ZINC001474451629 1183924763 /nfs/dbraw/zinc/92/47/63/1183924763.db2.gz ACKWBQIZVQHYIN-GOEBONIOSA-N 1 0 320.433 3.047 20 10 DGCDRO C[NH+](C)CCN(Cc1ccccn1)Cc1ccc(Cl)cc1O ZINC001474501737 1183932002 /nfs/dbraw/zinc/93/20/02/1183932002.db2.gz HGPTVWKRYAIMJL-UHFFFAOYSA-N 1 0 319.836 3.004 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@H](CO)CC(C)(C)C)cc1 ZINC001474527275 1183936065 /nfs/dbraw/zinc/93/60/65/1183936065.db2.gz WMBJHXLCNHHNJN-ZEVQVBBLSA-N 1 0 304.478 3.495 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCO[C@H]2CCCCO2)cc1C ZINC001474546940 1183938427 /nfs/dbraw/zinc/93/84/27/1183938427.db2.gz RWKNWOOJJPBCRF-SFHVURJKSA-N 1 0 307.434 3.417 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(C(C)C)ccc2O)C1 ZINC001474627866 1183952336 /nfs/dbraw/zinc/95/23/36/1183952336.db2.gz ZVSGPLUUPSKFHN-MRXNPFEDSA-N 1 0 303.402 3.257 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1O ZINC001474646706 1183954902 /nfs/dbraw/zinc/95/49/02/1183954902.db2.gz GXJRFZXUFBHQEA-RDJZCZTQSA-N 1 0 320.477 3.261 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)OC)cc1C ZINC001474648024 1183956491 /nfs/dbraw/zinc/95/64/91/1183956491.db2.gz XRUYOPXUNJULRC-CVEARBPZSA-N 1 0 305.418 3.215 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1 ZINC001474671743 1183959491 /nfs/dbraw/zinc/95/94/91/1183959491.db2.gz ZYPUVZUOEJTJAH-KRWDZBQOSA-N 1 0 319.445 3.191 20 10 DGCDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC001474674782 1183959516 /nfs/dbraw/zinc/95/95/16/1183959516.db2.gz KYNGYWHWDXRYEG-MRXNPFEDSA-N 1 0 311.809 3.175 20 10 DGCDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474691834 1183963424 /nfs/dbraw/zinc/96/34/24/1183963424.db2.gz STIQPLFKHFOWTG-LBPRGKRZSA-N 1 0 311.809 3.211 20 10 DGCDRO COc1ccc(C[N@@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c(O)c1OC ZINC001474730050 1183968889 /nfs/dbraw/zinc/96/88/89/1183968889.db2.gz OXFQHXKKGHFCEB-OUFKLWKOSA-N 1 0 317.429 3.277 20 10 DGCDRO CCC(=CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1)CC ZINC001480444394 1184530393 /nfs/dbraw/zinc/53/03/93/1184530393.db2.gz MVEQQAPYNQSKCB-OAHLLOKOSA-N 1 0 318.461 3.344 20 10 DGCDRO CCC[C@@H](C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001621134628 1193441995 /nfs/dbraw/zinc/44/19/95/1193441995.db2.gz OEVSISAWPVKKHY-SFHVURJKSA-N 1 0 306.450 3.022 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@H]1C(=O)OCC ZINC001559790435 1189243306 /nfs/dbraw/zinc/24/33/06/1189243306.db2.gz SPMFWWWFKQZWCP-JKSUJKDBSA-N 1 0 305.418 3.194 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCc1nc(C(C)C)no1 ZINC001560312478 1189309350 /nfs/dbraw/zinc/30/93/50/1189309350.db2.gz JENHCSKBCXNZJW-UHFFFAOYSA-N 1 0 312.417 3.325 20 10 DGCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001560397679 1189322706 /nfs/dbraw/zinc/32/27/06/1189322706.db2.gz IJVJEWQHXLGIMX-MJGOQNOKSA-N 1 0 301.478 3.107 20 10 DGCDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)Cc1ccccc1 ZINC001560479110 1189331824 /nfs/dbraw/zinc/33/18/24/1189331824.db2.gz XAINVKJCPWREPW-IBGZPJMESA-N 1 0 311.425 3.359 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)C(=O)NC(C)C)cc1 ZINC001560505126 1189333967 /nfs/dbraw/zinc/33/39/67/1189333967.db2.gz MDGXQXIKUWGZRB-MRXNPFEDSA-N 1 0 319.493 3.316 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC001560508080 1189334715 /nfs/dbraw/zinc/33/47/15/1189334715.db2.gz KUWXEQBGPOCCHL-AWEZNQCLSA-N 1 0 302.418 3.383 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC001560538121 1189337820 /nfs/dbraw/zinc/33/78/20/1189337820.db2.gz ZTLPRYYNOGHCFN-GFCCVEGCSA-N 1 0 307.752 3.278 20 10 DGCDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001560564568 1189342615 /nfs/dbraw/zinc/34/26/15/1189342615.db2.gz DLTNOBJJZJQAFV-DGCLKSJQSA-N 1 0 318.383 3.411 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC001560852695 1189394139 /nfs/dbraw/zinc/39/41/39/1189394139.db2.gz LNFZWQFLNOENLF-UHFFFAOYSA-N 1 0 305.418 3.245 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)Cc1ccno1 ZINC001560890808 1189400604 /nfs/dbraw/zinc/40/06/04/1189400604.db2.gz RBRJUSGLHYAHGC-GJZGRUSLSA-N 1 0 301.434 3.201 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCN2C2CCCCCC2)c1 ZINC001560973050 1189413571 /nfs/dbraw/zinc/41/35/71/1189413571.db2.gz HPVFLSPFBPDOPL-QGZVFWFLSA-N 1 0 318.461 3.288 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2CC(C)(C)C2)cc1C ZINC001569054392 1190614121 /nfs/dbraw/zinc/61/41/21/1190614121.db2.gz MDGRGQQFGRMFRJ-AWEZNQCLSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCC(C)C)cc1C ZINC001570586911 1190893299 /nfs/dbraw/zinc/89/32/99/1190893299.db2.gz FCUHNRGFTHIUHV-CVEARBPZSA-N 1 0 320.477 3.423 20 10 DGCDRO CCCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001571087445 1190982556 /nfs/dbraw/zinc/98/25/56/1190982556.db2.gz ZVKRITNZGNCZST-QAQDUYKDSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N1CCCC1 ZINC001620714983 1193794421 /nfs/dbraw/zinc/79/44/21/1193794421.db2.gz CPZQTZAQUSUCCC-GOSISDBHSA-N 1 0 301.478 3.251 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1F ZINC001621100312 1193800906 /nfs/dbraw/zinc/80/09/06/1193800906.db2.gz ZIZGLXIMNVOKTN-DOTOQJQBSA-N 1 0 306.425 3.187 20 10 DGCDRO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)CCO1 ZINC001621204699 1193816384 /nfs/dbraw/zinc/81/63/84/1193816384.db2.gz OGUWWZUVPIXUIU-MAUKXSAKSA-N 1 0 307.434 3.474 20 10 DGCDRO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)CCO1 ZINC001621204698 1193816868 /nfs/dbraw/zinc/81/68/68/1193816868.db2.gz OGUWWZUVPIXUIU-CRAIPNDOSA-N 1 0 307.434 3.474 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1(CO)CC=CC1 ZINC001621405662 1193838412 /nfs/dbraw/zinc/83/84/12/1193838412.db2.gz AGOUUFCHNSJAAA-LJQANCHMSA-N 1 0 315.457 3.455 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)c1 ZINC001621457866 1193845176 /nfs/dbraw/zinc/84/51/76/1193845176.db2.gz PXNZJFKNJLGQCU-UHFFFAOYSA-N 1 0 324.424 3.173 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CC[NH+](C)C ZINC001625240287 1194039480 /nfs/dbraw/zinc/03/94/80/1194039480.db2.gz LAIJRUKJMCWPNE-MRXNPFEDSA-N 1 0 319.493 3.077 20 10 DGCDRO CCC(C)(CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001627463759 1194130677 /nfs/dbraw/zinc/13/06/77/1194130677.db2.gz FGFFZEPWTQRXNV-QGZVFWFLSA-N 1 0 319.493 3.298 20 10 DGCDRO CCCC[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001627464618 1194130732 /nfs/dbraw/zinc/13/07/32/1194130732.db2.gz PCVZWPLLLMKOJS-QAPCUYQASA-N 1 0 319.493 3.298 20 10 DGCDRO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC001633315055 1194431346 /nfs/dbraw/zinc/43/13/46/1194431346.db2.gz CXUDOHRQHCJUML-NVXWUHKLSA-N 1 0 317.477 3.052 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001641902227 1194878051 /nfs/dbraw/zinc/87/80/51/1194878051.db2.gz KJIDDQHRPPSZIJ-IEBWSBKVSA-N 1 0 319.445 3.332 20 10 DGCDRO COc1ccc(N2CC[NH+](CCc3ccccc3)CC2)c(C)c1 ZINC000059569842 1195102701 /nfs/dbraw/zinc/10/27/01/1195102701.db2.gz DBSPDLJDPMIFMU-UHFFFAOYSA-N 1 0 310.441 3.368 20 10 DGCDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCOc2cc(N(C)C)ccc21 ZINC001645147949 1195161774 /nfs/dbraw/zinc/16/17/74/1195161774.db2.gz NWRFRBGBSXOIGY-QGZVFWFLSA-N 1 0 317.477 3.214 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1O ZINC001645713734 1195198317 /nfs/dbraw/zinc/19/83/17/1195198317.db2.gz ORVHAUJCPOEJTK-HOTGVXAUSA-N 1 0 323.408 3.416 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC001648745170 1195328018 /nfs/dbraw/zinc/32/80/18/1195328018.db2.gz PZOHDNWBNPPPLE-DUMMIQTOSA-N 1 0 324.424 3.195 20 10 DGCDRO C[NH+](C)CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)(C)C ZINC001649412073 1195334937 /nfs/dbraw/zinc/33/49/37/1195334937.db2.gz FAKUKDCAQOIBOC-GOSISDBHSA-N 1 0 304.478 3.468 20 10 DGCDRO OC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(F)c1 ZINC001649430207 1195336573 /nfs/dbraw/zinc/33/65/73/1195336573.db2.gz FIBSTCCFPQQHOG-IBGZPJMESA-N 1 0 314.404 3.249 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001650650169 1195369033 /nfs/dbraw/zinc/36/90/33/1195369033.db2.gz HZISSCAULPXBGY-IBGZPJMESA-N 1 0 311.425 3.359 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)ccc1OC ZINC001650919443 1195395779 /nfs/dbraw/zinc/39/57/79/1195395779.db2.gz XMYOWLOYXUAWIY-MJGOQNOKSA-N 1 0 319.445 3.279 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC001651156618 1195420818 /nfs/dbraw/zinc/42/08/18/1195420818.db2.gz GRIIASJYZQQPFM-OXQOHEQNSA-N 1 0 322.408 3.071 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)cc1F ZINC001651325113 1195444554 /nfs/dbraw/zinc/44/45/54/1195444554.db2.gz NYZRXIPKVXMXIO-UHFFFAOYSA-N 1 0 320.452 3.313 20 10 DGCDRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC001651374205 1195452695 /nfs/dbraw/zinc/45/26/95/1195452695.db2.gz GIOCNTFPHYFDKB-UHFFFAOYSA-N 1 0 317.429 3.223 20 10 DGCDRO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001652226474 1195565266 /nfs/dbraw/zinc/56/52/66/1195565266.db2.gz ATFNZCPVVMEYRO-GOSISDBHSA-N 1 0 304.434 3.006 20 10 DGCDRO COc1cccc(C2CC([NH2+]Cc3cccc(OC)c3O)C2)c1 ZINC001652388115 1195590306 /nfs/dbraw/zinc/59/03/06/1195590306.db2.gz RNTIEQWJILVCKC-UHFFFAOYSA-N 1 0 313.397 3.445 20 10 DGCDRO COc1cc(CN(C)CC[NH+]2CCCC2)c(O)c(C(C)(C)C)c1 ZINC001652385543 1195590633 /nfs/dbraw/zinc/59/06/33/1195590633.db2.gz PSLHNAHIILOINX-UHFFFAOYSA-N 1 0 320.477 3.226 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)[C@@H](CO)CC(C)(C)C)cc1F ZINC001652474876 1195603400 /nfs/dbraw/zinc/60/34/00/1195603400.db2.gz PSUIIZROBCXTTF-CYBMUJFWSA-N 1 0 314.420 3.260 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c1O ZINC001652696444 1195637551 /nfs/dbraw/zinc/63/75/51/1195637551.db2.gz WLFKXKHWRYWWDR-OAHLLOKOSA-N 1 0 307.459 3.427 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cc1Cl ZINC001652737099 1195643106 /nfs/dbraw/zinc/64/31/06/1195643106.db2.gz NYOIEYTVAWDWDU-LLVKDONJSA-N 1 0 313.825 3.421 20 10 DGCDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001652989269 1195678330 /nfs/dbraw/zinc/67/83/30/1195678330.db2.gz JGXUWILYXDNOBR-GOSISDBHSA-N 1 0 305.418 3.337 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2ccc(C)nc2Cl)c(O)c1 ZINC001653028582 1195681648 /nfs/dbraw/zinc/68/16/48/1195681648.db2.gz OEXPLHFMNGPXSZ-UHFFFAOYSA-N 1 0 306.793 3.356 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](C(C)(C)O)C2)cc1 ZINC001653072472 1195685695 /nfs/dbraw/zinc/68/56/95/1195685695.db2.gz HNXMXRAMCHKOFG-WVRJYTFGSA-N 1 0 302.462 3.249 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001653196621 1195697799 /nfs/dbraw/zinc/69/77/99/1195697799.db2.gz JFEJQILZRFGAAR-UHFFFAOYSA-N 1 0 303.494 3.306 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)C[C@]23CCC[C@H]2OCC3)cc1F ZINC001653266316 1195704861 /nfs/dbraw/zinc/70/48/61/1195704861.db2.gz ORGMDWKBXQRXEF-QZTJIDSGSA-N 1 0 324.415 3.422 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCSC[C@H]2C2CCC2)c1O ZINC001653952731 1195762636 /nfs/dbraw/zinc/76/26/36/1195762636.db2.gz GHRSRFLJSWFLRA-INIZCTEOSA-N 1 0 323.433 3.451 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCCC(C)(C)O2)cc1 ZINC001654114820 1195776252 /nfs/dbraw/zinc/77/62/52/1195776252.db2.gz RLJDCDHOLDPGBB-GOSISDBHSA-N 1 0 320.477 3.411 20 10 DGCDRO C[C@H]([NH2+]Cc1ncccc1Br)c1ccccc1O ZINC001655349615 1195906171 /nfs/dbraw/zinc/90/61/71/1195906171.db2.gz NBYUCGXQTNWVBO-JTQLQIEISA-N 1 0 307.191 3.401 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001655401477 1195912695 /nfs/dbraw/zinc/91/26/95/1195912695.db2.gz ZQHFDCXONAMVLD-QYZOEREBSA-N 1 0 302.462 3.268 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](CO)C2CCCCC2)ccc1OC ZINC001655708534 1195953314 /nfs/dbraw/zinc/95/33/14/1195953314.db2.gz QXULXPPJYDKNPF-SFHVURJKSA-N 1 0 321.461 3.263 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2(N(C)C)CCCCC2)cc1F ZINC001655951754 1195981656 /nfs/dbraw/zinc/98/16/56/1195981656.db2.gz COVADWDADDRAHN-UHFFFAOYSA-N 1 0 307.457 3.246 20 10 DGCDRO CC1CCN(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001656044821 1195991333 /nfs/dbraw/zinc/99/13/33/1195991333.db2.gz NLKBFXHLIRCLPE-SNAWJCMRSA-N 1 0 301.478 3.087 20 10 DGCDRO C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCCCC1 ZINC001656155876 1196011626 /nfs/dbraw/zinc/01/16/26/1196011626.db2.gz ZNOGZEOHGORRIZ-ZPUOCTKUSA-N 1 0 301.478 3.230 20 10 DGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001656437036 1196040492 /nfs/dbraw/zinc/04/04/92/1196040492.db2.gz YKPQVODJQQTXHR-NVXWUHKLSA-N 1 0 312.404 3.468 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1F ZINC001656985907 1196090004 /nfs/dbraw/zinc/09/00/04/1196090004.db2.gz VMQOWXYXRJEJJR-ZDUSSCGKSA-N 1 0 310.388 3.080 20 10 DGCDRO O=c1[nH]cc(C[NH2+]Cc2ccc3c(c2)CCO3)c2ccccc12 ZINC001656993432 1196090423 /nfs/dbraw/zinc/09/04/23/1196090423.db2.gz JSAOWNQLQNRNLF-UHFFFAOYSA-N 1 0 306.365 3.165 20 10 DGCDRO COc1cccc(O[C@@H](C)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001657290663 1196127542 /nfs/dbraw/zinc/12/75/42/1196127542.db2.gz DFHMSQVJAHUVIX-AWEZNQCLSA-N 1 0 313.397 3.187 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1F ZINC001657287843 1196127627 /nfs/dbraw/zinc/12/76/27/1196127627.db2.gz VYEGMNNSNGKUHZ-UHFFFAOYSA-N 1 0 317.364 3.132 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1 ZINC001657312868 1196129973 /nfs/dbraw/zinc/12/99/73/1196129973.db2.gz QBWXBPGNYQPTSY-MONCILHSSA-N 1 0 315.505 3.476 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC001657410548 1196137973 /nfs/dbraw/zinc/13/79/73/1196137973.db2.gz QANUCYKBIACQCJ-UXHICEINSA-N 1 0 316.489 3.420 20 10 DGCDRO CCCC[N@H+](CCO)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001657600570 1196158209 /nfs/dbraw/zinc/15/82/09/1196158209.db2.gz FWXMLZKDDIIVHG-UHFFFAOYSA-N 1 0 309.450 3.293 20 10 DGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657731783 1196173334 /nfs/dbraw/zinc/17/33/34/1196173334.db2.gz SDJIHBSQQYFXKG-DNVCBOLYSA-N 1 0 311.425 3.266 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1CCN1C1CCCC1)CCCO2 ZINC001657784749 1196178043 /nfs/dbraw/zinc/17/80/43/1196178043.db2.gz HYAXQCAHMJZJIN-SFHVURJKSA-N 1 0 300.446 3.118 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2c3ccccc3CN2C)cc1F ZINC001657836742 1196183119 /nfs/dbraw/zinc/18/31/19/1196183119.db2.gz HPJAFEPVILLFFQ-IBGZPJMESA-N 1 0 313.420 3.168 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]C3CCC=CCC3)cc2F)CC1 ZINC001658017294 1196203029 /nfs/dbraw/zinc/20/30/29/1196203029.db2.gz LKSJBVAFOGECNZ-UHFFFAOYSA-N 1 0 317.452 3.166 20 10 DGCDRO Cc1ccc(C[N@@H+](CCc2ccccc2)CCN(C)C)c(O)c1 ZINC001658035422 1196205557 /nfs/dbraw/zinc/20/55/57/1196205557.db2.gz BKIAVROUJFAILR-UHFFFAOYSA-N 1 0 312.457 3.307 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCCCC[C@@H]2CCO)cc1 ZINC001658092355 1196211022 /nfs/dbraw/zinc/21/10/22/1196211022.db2.gz CSQLEXMCDMYHGX-OVKVCFKUSA-N 1 0 302.462 3.393 20 10 DGCDRO Cc1cccc2nc(CC[NH2+]Cc3ccc4c(c3)CCCO4)cn21 ZINC001658237744 1196228255 /nfs/dbraw/zinc/22/82/55/1196228255.db2.gz HJDRSZGZOFVJIL-UHFFFAOYSA-N 1 0 321.424 3.300 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)cc1F ZINC001658314796 1196240010 /nfs/dbraw/zinc/24/00/10/1196240010.db2.gz CLQNFPZRKULNIC-OAHLLOKOSA-N 1 0 318.367 3.124 20 10 DGCDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001658446954 1196257720 /nfs/dbraw/zinc/25/77/20/1196257720.db2.gz DCGHZHCXQJQHDA-IYBDPMFKSA-N 1 0 317.429 3.222 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c(O)c1 ZINC001658587995 1196276500 /nfs/dbraw/zinc/27/65/00/1196276500.db2.gz OADFGOXGJKUPLK-OAHLLOKOSA-N 1 0 318.461 3.206 20 10 DGCDRO CSC(C)(C)CC[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001659060716 1196339755 /nfs/dbraw/zinc/33/97/55/1196339755.db2.gz VLUIAZCBVADCII-KRWDZBQOSA-N 1 0 323.550 3.477 20 10 DGCDRO CC(C)c1ccc(O)c(CNc2cnccc2-n2ccnn2)c1 ZINC001659165800 1196354464 /nfs/dbraw/zinc/35/44/64/1196354464.db2.gz QOKNKWIDUOBQQL-UHFFFAOYSA-N 1 0 309.373 3.103 20 10 DGCDRO COCC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CCCCC1 ZINC001659364950 1196375846 /nfs/dbraw/zinc/37/58/46/1196375846.db2.gz WHBVKEJDMFKZHO-UHFFFAOYSA-N 1 0 307.434 3.396 20 10 DGCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(Cl)cc2O)c1 ZINC001659567028 1196395764 /nfs/dbraw/zinc/39/57/64/1196395764.db2.gz HUDAUYDPILRMQD-QGZVFWFLSA-N 1 0 305.805 3.486 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c(C)nc3scc(C)n32)c1O ZINC001659696563 1196405965 /nfs/dbraw/zinc/40/59/65/1196405965.db2.gz XCJNTZNEIVPUBF-UHFFFAOYSA-N 1 0 317.414 3.017 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1 ZINC001660017102 1196437923 /nfs/dbraw/zinc/43/79/23/1196437923.db2.gz AIXFOLRGRIQFME-GOSISDBHSA-N 1 0 317.404 3.348 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c1 ZINC001660049256 1196440278 /nfs/dbraw/zinc/44/02/78/1196440278.db2.gz FZFOLHPIWCFKLA-MRXNPFEDSA-N 1 0 304.434 3.005 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(Br)CC2)cc1 ZINC001660131486 1196450070 /nfs/dbraw/zinc/45/00/70/1196450070.db2.gz KTRGICXIEINJRM-ARJAWSKDSA-N 1 0 309.251 3.283 20 10 DGCDRO CN(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)Cc1ccccc1 ZINC001660777203 1196522892 /nfs/dbraw/zinc/52/28/92/1196522892.db2.gz GSZRFMQVYPQUSD-FQEVSTJZSA-N 1 0 324.468 3.274 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC[C@H]2CCC(C)(C)CO2)c(O)c1 ZINC001660796747 1196525719 /nfs/dbraw/zinc/52/57/19/1196525719.db2.gz TZRYJXVVBSTOQF-CQSZACIVSA-N 1 0 307.434 3.394 20 10 DGCDRO COC(=O)c1c(C[NH2+][C@@H]2C[C@H]2C(C)C)c2cc(F)ccc2n1C ZINC001660956236 1196546621 /nfs/dbraw/zinc/54/66/21/1196546621.db2.gz IQGLPSZLDSBIIA-SWLSCSKDSA-N 1 0 318.392 3.238 20 10 DGCDRO CN(C)c1ccccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001661175536 1196576277 /nfs/dbraw/zinc/57/62/77/1196576277.db2.gz NIMGYAVJPQGWNG-UHFFFAOYSA-N 1 0 309.457 3.425 20 10 DGCDRO O[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCc2ccccc21 ZINC001661387210 1196600314 /nfs/dbraw/zinc/60/03/14/1196600314.db2.gz ZCRMCZBJTJAJGX-NRFANRHFSA-N 1 0 323.436 3.325 20 10 DGCDRO COc1ccc(OCC[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001664099721 1196971021 /nfs/dbraw/zinc/97/10/21/1196971021.db2.gz QASPNSWLZKCQNL-UHFFFAOYSA-N 1 0 323.339 3.190 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2cccn2C)c(O)c1 ZINC001664123144 1196972834 /nfs/dbraw/zinc/97/28/34/1196972834.db2.gz UIZKIUSSSCIMNZ-QGZVFWFLSA-N 1 0 300.402 3.385 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001664934746 1197080243 /nfs/dbraw/zinc/08/02/43/1197080243.db2.gz SOBVRTTVGVOIAT-GOSISDBHSA-N 1 0 305.418 3.254 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@]2(C)CCCCO2)cc1 ZINC001665163802 1197104152 /nfs/dbraw/zinc/10/41/52/1197104152.db2.gz DOKBYSXUOKEJMB-SFHVURJKSA-N 1 0 306.450 3.022 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)c1O ZINC001665533814 1197148679 /nfs/dbraw/zinc/14/86/79/1197148679.db2.gz SWAQEKUZXJBMGP-ZDUSSCGKSA-N 1 0 313.825 3.037 20 10 DGCDRO CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)cc1 ZINC000323932276 1197691076 /nfs/dbraw/zinc/69/10/76/1197691076.db2.gz ZSJCPTUNCLSOAQ-CZUORRHYSA-N 1 0 324.424 3.398 20 10 DGCDRO CC(C)c1noc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000089577874 1197994259 /nfs/dbraw/zinc/99/42/59/1197994259.db2.gz RPOQRAVFMDTKQH-CYBMUJFWSA-N 1 0 302.422 3.152 20 10 DGCDRO CC(C)(CN1CCCC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000308613697 1199704526 /nfs/dbraw/zinc/70/45/26/1199704526.db2.gz JRBUPACJTCSWPE-UHFFFAOYSA-N 1 0 301.478 3.251 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000317436996 1199824996 /nfs/dbraw/zinc/82/49/96/1199824996.db2.gz RIDHKLVPAKXAMT-JHJVBQTASA-N 1 0 304.434 3.142 20 10 DGCDRO CCCC[C@H](CC)COC[C@H](O)C[NH2+]Cc1ccccc1O ZINC000318300617 1199829953 /nfs/dbraw/zinc/82/99/53/1199829953.db2.gz NOUPBPAQTZNHIC-DOTOQJQBSA-N 1 0 309.450 3.076 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCOC[C@H]1CCCO1 ZINC000319812238 1199841422 /nfs/dbraw/zinc/84/14/22/1199841422.db2.gz KTSCSRVAAOAEKE-OAGGEKHMSA-N 1 0 319.445 3.424 20 10 DGCDRO CC[NH+](CC)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000121681501 1200226557 /nfs/dbraw/zinc/22/65/57/1200226557.db2.gz KTQVMZGERTZXDQ-UHFFFAOYSA-N 1 0 307.457 3.198 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C(C)C)cc1C ZINC001755606521 1200984819 /nfs/dbraw/zinc/98/48/19/1200984819.db2.gz LGCDCHNQAJZFMU-CVEARBPZSA-N 1 0 320.477 3.232 20 10 DGCDRO C=C/C(C)=C\CC(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699373531 1201820512 /nfs/dbraw/zinc/82/05/12/1201820512.db2.gz GUIWXILMZNYIIK-ACQAZONXSA-N 1 0 316.445 3.120 20 10 DGCDRO CC[C@H](C)[C@@H](C)C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753245609 1202188344 /nfs/dbraw/zinc/18/83/44/1202188344.db2.gz DYAYRUZNFFKIFP-GOEBONIOSA-N 1 0 320.477 3.234 20 10 DGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)CC(C)C)C2)cc1C ZINC001700369309 1202253644 /nfs/dbraw/zinc/25/36/44/1202253644.db2.gz ZQNQKUBBAOAOPW-UHFFFAOYSA-N 1 0 318.461 3.034 20 10 DGCDRO CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753769718 1202331086 /nfs/dbraw/zinc/33/10/86/1202331086.db2.gz UIYQTGTUFKFANR-KRWDZBQOSA-N 1 0 318.461 3.274 20 10 DGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)CC(C)C)C2)cc1C ZINC001707286555 1202581042 /nfs/dbraw/zinc/58/10/42/1202581042.db2.gz VJZBSHNHGKMNOS-UHFFFAOYSA-N 1 0 318.461 3.034 20 10 DGCDRO Cc1cc(C(=O)N(C)[C@@H](C)C[NH3+])c(C)n1-c1cc(C)cc(C)c1 ZINC000237462720 1202674680 /nfs/dbraw/zinc/67/46/80/1202674680.db2.gz RKNPUGFVFJKDNL-HNNXBMFYSA-N 1 0 313.445 3.130 20 10 DGCDRO CCC1(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001715679689 1203380165 /nfs/dbraw/zinc/38/01/65/1203380165.db2.gz WDSDGFPVWDGVLC-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCC2(C)CC2)cc1C ZINC001715953275 1203410024 /nfs/dbraw/zinc/41/00/24/1203410024.db2.gz RSOUGKKEMBUFDV-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC2(C)CC2)cc1C ZINC001725101605 1204094643 /nfs/dbraw/zinc/09/46/43/1204094643.db2.gz HQPGNWDAJZPOGM-HUUCEWRRSA-N 1 0 318.461 3.177 20 10 DGCDRO CCCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001731438784 1204413271 /nfs/dbraw/zinc/41/32/71/1204413271.db2.gz GHQAXOZDHKLHIU-QAQDUYKDSA-N 1 0 318.461 3.321 20 10 DGCDRO CCCC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001731617205 1204484569 /nfs/dbraw/zinc/48/45/69/1204484569.db2.gz WZNRGIOGSNUUCB-OAHLLOKOSA-N 1 0 320.477 3.424 20 10 DGCDRO CCCC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001733009556 1204979882 /nfs/dbraw/zinc/97/98/82/1204979882.db2.gz FLBJTSWIMMTCCL-HNNXBMFYSA-N 1 0 320.477 3.424 20 10 DGCDRO CC[C@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001733165597 1205031535 /nfs/dbraw/zinc/03/15/35/1205031535.db2.gz USKPTJXOQSQXLF-SUMWQHHRSA-N 1 0 318.461 3.034 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1O ZINC001169733729 1081646071 /nfs/dbraw/zinc/64/60/71/1081646071.db2.gz WXVWPFNUKNLYAD-RDJZCZTQSA-N 1 0 324.424 3.348 20 10 DGCDRO CCCCOCC[NH2+]Cc1ccc(Br)cc1O ZINC000691430068 1081650955 /nfs/dbraw/zinc/65/09/55/1081650955.db2.gz RIQVLCKQIAWGOP-UHFFFAOYSA-N 1 0 302.212 3.061 20 10 DGCDRO Oc1cc2ccccc2cc1C[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169916568 1081677069 /nfs/dbraw/zinc/67/70/69/1081677069.db2.gz OBXMEQWPOCUWHS-QGZVFWFLSA-N 1 0 313.397 3.321 20 10 DGCDRO COC1(C[NH2+]Cc2ccc(Br)cc2O)CCCC1 ZINC000691476158 1081869038 /nfs/dbraw/zinc/86/90/38/1081869038.db2.gz IBYMGEZMJCPXGA-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)C1(C)C ZINC000691476967 1081867984 /nfs/dbraw/zinc/86/79/84/1081867984.db2.gz OYSOHHUTDYVLSX-STQMWFEESA-N 1 0 314.223 3.058 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+](C)CCc2noc(C(C)C)n2)c1O ZINC001140178269 1081936476 /nfs/dbraw/zinc/93/64/76/1081936476.db2.gz GHKATJAKBXDICM-UHFFFAOYSA-N 1 0 303.406 3.190 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cccc4cnoc43)cc2)CC1 ZINC001167437388 1082122426 /nfs/dbraw/zinc/12/24/26/1082122426.db2.gz UBTDXMOGYYZKRL-UHFFFAOYSA-N 1 0 322.412 3.192 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)NCC4)cc2)CC1 ZINC001167441391 1082131686 /nfs/dbraw/zinc/13/16/86/1082131686.db2.gz KNZROTIASCYXSB-UHFFFAOYSA-N 1 0 322.456 3.019 20 10 DGCDRO Oc1cccc(Br)c1C[NH+]1CCC(CF)CC1 ZINC000707155459 1082214698 /nfs/dbraw/zinc/21/46/98/1082214698.db2.gz QQEAPISBENTGKI-UHFFFAOYSA-N 1 0 302.187 3.336 20 10 DGCDRO CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)CCO1 ZINC001170241877 1082325608 /nfs/dbraw/zinc/32/56/08/1082325608.db2.gz YTBBUPBOXTVKKC-DLBZAZTESA-N 1 0 318.461 3.083 20 10 DGCDRO C[C@H](Cc1ccccc1Cl)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001170255993 1082328084 /nfs/dbraw/zinc/32/80/84/1082328084.db2.gz HCOZQWFMYZMVTG-LLVKDONJSA-N 1 0 319.788 3.155 20 10 DGCDRO Cc1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)ccc1N1CCCCC1 ZINC001170398515 1082361585 /nfs/dbraw/zinc/36/15/85/1082361585.db2.gz DETYWJAITZHUHS-ZWKOTPCHSA-N 1 0 302.462 3.234 20 10 DGCDRO COCCOc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001167625419 1082619608 /nfs/dbraw/zinc/61/96/08/1082619608.db2.gz SGFDPJNLSAGOCA-UHFFFAOYSA-N 1 0 306.450 3.197 20 10 DGCDRO CC[C@H]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133442817 1083125163 /nfs/dbraw/zinc/12/51/63/1083125163.db2.gz JXUPCFYMPIYVKA-DLBZAZTESA-N 1 0 318.461 3.036 20 10 DGCDRO CC[C@@H]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133442818 1083125455 /nfs/dbraw/zinc/12/54/55/1083125455.db2.gz JXUPCFYMPIYVKA-IAGOWNOFSA-N 1 0 318.461 3.036 20 10 DGCDRO CCc1cccc(C[NH2+]C2(C(=O)NCC(C)C)CCCC2)c1O ZINC001181023044 1083387163 /nfs/dbraw/zinc/38/71/63/1083387163.db2.gz QLEUFWIMQQXSFZ-UHFFFAOYSA-N 1 0 318.461 3.129 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001204325104 1083646867 /nfs/dbraw/zinc/64/68/67/1083646867.db2.gz QWQKIINKUCOTCU-IBGZPJMESA-N 1 0 300.446 3.289 20 10 DGCDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001182345039 1083694756 /nfs/dbraw/zinc/69/47/56/1083694756.db2.gz NOCKHJLFWFZECD-HNNXBMFYSA-N 1 0 322.836 3.023 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCN1C1CCCCCC1 ZINC001183379862 1083941298 /nfs/dbraw/zinc/94/12/98/1083941298.db2.gz URDXGXZJFQKZPM-QGZVFWFLSA-N 1 0 306.425 3.418 20 10 DGCDRO COC(=O)[C@H](C[NH2+]Cc1ccc(C)cc1O)C1CCCCC1 ZINC001183741958 1084019375 /nfs/dbraw/zinc/01/93/75/1084019375.db2.gz XODNUILGKCSHDO-MRXNPFEDSA-N 1 0 305.418 3.160 20 10 DGCDRO CC/C=C(\C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482081277 1084828230 /nfs/dbraw/zinc/82/82/30/1084828230.db2.gz BQEWIEAFYBGVSV-UUINEXAVSA-N 1 0 318.461 3.202 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)cc1C ZINC001474169513 1126202283 /nfs/dbraw/zinc/20/22/83/1126202283.db2.gz KEGGPIJGDWINAK-IBGZPJMESA-N 1 0 313.441 3.314 20 10 DGCDRO CC[C@@H](CNC(=O)C1(CC)CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269467136 1085401718 /nfs/dbraw/zinc/40/17/18/1085401718.db2.gz SKLJGDUNWCNHRI-INIZCTEOSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@@H](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482275733 1085755101 /nfs/dbraw/zinc/75/51/01/1085755101.db2.gz MKMUSMLKGHVTHV-GDBMZVCRSA-N 1 0 320.477 3.376 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H](O)c1ccccn1 ZINC001167984571 1085956343 /nfs/dbraw/zinc/95/63/43/1085956343.db2.gz TXCNNZSLIXHWSE-IBGZPJMESA-N 1 0 324.380 3.116 20 10 DGCDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001168149149 1086988169 /nfs/dbraw/zinc/98/81/69/1086988169.db2.gz LHHCXYTXHYMUOM-GTNSWQLSSA-N 1 0 321.804 3.005 20 10 DGCDRO CCC(C)(C)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001158816071 1088043760 /nfs/dbraw/zinc/04/37/60/1088043760.db2.gz OVVZVYCCTAIILI-UHFFFAOYSA-N 1 0 320.477 3.426 20 10 DGCDRO CN(Cc1c(O)ccc(Cl)c1Cl)C[C@@H]1CCC[NH2+]C1 ZINC001235957044 1088489998 /nfs/dbraw/zinc/48/99/98/1088489998.db2.gz KBFKEGORZIWYSJ-SNVBAGLBSA-N 1 0 303.233 3.130 20 10 DGCDRO c1cc(Nc2ccc3c(c2)CCCN3)cc(N2CC[NH2+]CC2)c1 ZINC001159855758 1088520502 /nfs/dbraw/zinc/52/05/02/1088520502.db2.gz IDSVEDNFIUSICO-UHFFFAOYSA-N 1 0 308.429 3.198 20 10 DGCDRO Oc1cc2ccccc2cc1CNc1ccc2c(n1)CC[NH2+]C2 ZINC001160205566 1088697177 /nfs/dbraw/zinc/69/71/77/1088697177.db2.gz CZIBSGZSFGPOFM-UHFFFAOYSA-N 1 0 305.381 3.198 20 10 DGCDRO C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC001154667934 1088701323 /nfs/dbraw/zinc/70/13/23/1088701323.db2.gz AEBBDNCMSHANOY-LESCRADOSA-N 1 0 317.477 3.050 20 10 DGCDRO CCN(Cc1ccccc1O)c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001154888995 1088811204 /nfs/dbraw/zinc/81/12/04/1088811204.db2.gz NVUDJKDOQVWVTO-UHFFFAOYSA-N 1 0 317.820 3.113 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c[nH+]cn21 ZINC001155792977 1089249716 /nfs/dbraw/zinc/24/97/16/1089249716.db2.gz FTIURZWPKQKMCF-UHFFFAOYSA-N 1 0 322.412 3.063 20 10 DGCDRO CC(C)N(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC[NH2+]C1 ZINC001236525703 1089288722 /nfs/dbraw/zinc/28/87/22/1089288722.db2.gz BHURLQBQSYBHAL-GFCCVEGCSA-N 1 0 303.233 3.271 20 10 DGCDRO Cc1c[nH+]c(NCc2cc(Cl)c3cccnc3c2O)cc1N ZINC001157726116 1090088367 /nfs/dbraw/zinc/08/83/67/1090088367.db2.gz FFUPGFAAEHIPSJ-UHFFFAOYSA-N 1 0 314.776 3.492 20 10 DGCDRO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(C)cc2O)C1=O ZINC001272766400 1090561988 /nfs/dbraw/zinc/56/19/88/1090561988.db2.gz PXECUAKVHPLAMV-HNAYVOBHSA-N 1 0 316.445 3.066 20 10 DGCDRO Fc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001203180989 1090704283 /nfs/dbraw/zinc/70/42/83/1090704283.db2.gz KPUKADQYFYMHAW-KRWDZBQOSA-N 1 0 313.372 3.244 20 10 DGCDRO C[C@H](CCNCc1ccc(N(C)C)cc1C(F)(F)F)[NH+](C)C ZINC001203270796 1090710243 /nfs/dbraw/zinc/71/02/43/1090710243.db2.gz OSLPAIHATFDGKF-GFCCVEGCSA-N 1 0 317.399 3.201 20 10 DGCDRO C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccccc1O ZINC001203547229 1090752917 /nfs/dbraw/zinc/75/29/17/1090752917.db2.gz JFGKBPKMAAGKMR-UHFFFAOYSA-N 1 0 310.319 3.481 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001203556376 1090754160 /nfs/dbraw/zinc/75/41/60/1090754160.db2.gz ODFVTGJGUSVJHD-AWEZNQCLSA-N 1 0 305.324 3.324 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)c(C)c1 ZINC001203560500 1090756728 /nfs/dbraw/zinc/75/67/28/1090756728.db2.gz BFVOECLGDVUSQK-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC001203581201 1090761755 /nfs/dbraw/zinc/76/17/55/1090761755.db2.gz JQVAMGOWZCTPPZ-SRAGMPOQSA-N 1 0 322.452 3.406 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c1O ZINC001203599591 1090763985 /nfs/dbraw/zinc/76/39/85/1090763985.db2.gz JFCOIKIGSSNAME-CQSZACIVSA-N 1 0 321.417 3.097 20 10 DGCDRO CCOc1cccc(C[N@H+](C)CCC(=O)c2ccccc2)c1O ZINC001203609521 1090766387 /nfs/dbraw/zinc/76/63/87/1090766387.db2.gz WTQZQVCEEILQFA-UHFFFAOYSA-N 1 0 313.397 3.496 20 10 DGCDRO CCOc1cccc(CN(CC)CC[NH+]2CCCCC2)c1O ZINC001203614335 1090767238 /nfs/dbraw/zinc/76/72/38/1090767238.db2.gz XMJYJRKXUNMEOU-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c(O)c1 ZINC001203627915 1090768984 /nfs/dbraw/zinc/76/89/84/1090768984.db2.gz RTYIUALGGOIMFI-QGZVFWFLSA-N 1 0 313.397 3.192 20 10 DGCDRO Oc1ccc(CC[NH2+][C@H]2Cc3cccc(Cl)c3C2)cc1O ZINC001168688200 1090785255 /nfs/dbraw/zinc/78/52/55/1090785255.db2.gz CRFYRSFWNWMHST-ZDUSSCGKSA-N 1 0 303.789 3.051 20 10 DGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)cc1O ZINC001203879945 1090826391 /nfs/dbraw/zinc/82/63/91/1090826391.db2.gz KJVYUSNGTXYUEF-QGZVFWFLSA-N 1 0 313.397 3.279 20 10 DGCDRO CCC[C@@H](O)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001203889552 1090828137 /nfs/dbraw/zinc/82/81/37/1090828137.db2.gz KFPZYMGOILPDCF-CQSZACIVSA-N 1 0 309.450 3.339 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC001203936364 1090844632 /nfs/dbraw/zinc/84/46/32/1090844632.db2.gz MKOSRYAEVZXGOI-DOTOQJQBSA-N 1 0 318.461 3.164 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC)C2)cc1 ZINC001203941689 1090845471 /nfs/dbraw/zinc/84/54/71/1090845471.db2.gz FHPBJZZXGXNDES-QGZVFWFLSA-N 1 0 318.461 3.308 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)cc1 ZINC001203943457 1090847329 /nfs/dbraw/zinc/84/73/29/1090847329.db2.gz CJTMXJNOOINQAU-GOSISDBHSA-N 1 0 318.461 3.260 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCN(C3CC3)CC2)c2ccccc21 ZINC001204232376 1090928895 /nfs/dbraw/zinc/92/88/95/1090928895.db2.gz BQFSJOLKGXSMBT-UHFFFAOYSA-N 1 0 309.457 3.186 20 10 DGCDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N(C)C)c2ccccc12 ZINC001204240883 1090932655 /nfs/dbraw/zinc/93/26/55/1090932655.db2.gz ILAOQRMYCRWMEX-IRXDYDNUSA-N 1 0 309.457 3.184 20 10 DGCDRO Oc1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c(O)c1 ZINC001204275851 1090938178 /nfs/dbraw/zinc/93/81/78/1090938178.db2.gz ZSKCAHUHTAOPTE-UHFFFAOYSA-N 1 0 311.381 3.119 20 10 DGCDRO Oc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c(O)c1 ZINC001204279091 1090938909 /nfs/dbraw/zinc/93/89/09/1090938909.db2.gz QGDXWXCNTGPFOL-MRXNPFEDSA-N 1 0 301.411 3.388 20 10 DGCDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(O)c(O)c(OC)c2)cc1 ZINC001204345020 1090953023 /nfs/dbraw/zinc/95/30/23/1090953023.db2.gz FSVAMLCVJVWMHB-GFCCVEGCSA-N 1 0 317.385 3.308 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3cccc(F)c3C)CC2)cc1 ZINC001204506766 1090985450 /nfs/dbraw/zinc/98/54/50/1090985450.db2.gz NCJVBQIGKCTLCP-UHFFFAOYSA-N 1 0 314.404 3.465 20 10 DGCDRO Oc1ccc(F)c(F)c1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001276471186 1090993151 /nfs/dbraw/zinc/99/31/51/1090993151.db2.gz CBQOMNRZFMSSEW-BLLLJJGKSA-N 1 0 322.399 3.119 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCC[C@H]1O ZINC001138215578 1091118257 /nfs/dbraw/zinc/11/82/57/1091118257.db2.gz JYDATQNHJLIVKB-VQIMIIECSA-N 1 0 302.462 3.270 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CC2(C1)CCCCO2 ZINC001138215761 1091118711 /nfs/dbraw/zinc/11/87/11/1091118711.db2.gz SOGQOHYNQJBODC-UHFFFAOYSA-N 1 0 300.446 3.432 20 10 DGCDRO CC[N@H+](CCn1cccn1)Cc1ccc(N2CCCCC2)cc1 ZINC001138220641 1091119762 /nfs/dbraw/zinc/11/97/62/1091119762.db2.gz KIJBPGOUDNNOHY-UHFFFAOYSA-N 1 0 312.461 3.396 20 10 DGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138258130 1091126098 /nfs/dbraw/zinc/12/60/98/1091126098.db2.gz MOEWWVWCHALZGP-LJQANCHMSA-N 1 0 314.429 3.262 20 10 DGCDRO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)ccc1F ZINC001205198420 1091127497 /nfs/dbraw/zinc/12/74/97/1091127497.db2.gz LNHFAUPCNPIDAX-UHFFFAOYSA-N 1 0 301.361 3.494 20 10 DGCDRO Oc1c(C[NH+]2CCCCCC2)cc2c3c1CCCN3CCC2 ZINC001138339012 1091146585 /nfs/dbraw/zinc/14/65/85/1091146585.db2.gz ZRPGQFVKTNOJFN-UHFFFAOYSA-N 1 0 300.446 3.467 20 10 DGCDRO CN1CCCc2cc(CN3CCC([NH+]4CCCC4)CC3)ccc21 ZINC001138354970 1091150030 /nfs/dbraw/zinc/15/00/30/1091150030.db2.gz XCQKTRBKRBEUDQ-UHFFFAOYSA-N 1 0 313.489 3.129 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CC4(C3)C[C@H](F)CS4)ccc21 ZINC001138356300 1091150223 /nfs/dbraw/zinc/15/02/23/1091150223.db2.gz KAHBYHDYVKTKGH-HNNXBMFYSA-N 1 0 306.450 3.098 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H]4CCCO[C@H]4C3)ccc21 ZINC001138355857 1091150631 /nfs/dbraw/zinc/15/06/31/1091150631.db2.gz XEJBAYUKSJTJRB-LPHOPBHVSA-N 1 0 300.446 3.070 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CC(C)(C)OC(C)(C)C3)ccc21 ZINC001138358829 1091152209 /nfs/dbraw/zinc/15/22/09/1091152209.db2.gz CITCHXVNRRQNMZ-UHFFFAOYSA-N 1 0 302.462 3.458 20 10 DGCDRO CC[NH+](CC)C1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138357787 1091152355 /nfs/dbraw/zinc/15/23/55/1091152355.db2.gz KHKIGKVYANOTOF-UHFFFAOYSA-N 1 0 315.505 3.375 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c(OC)c1 ZINC001138389273 1091162819 /nfs/dbraw/zinc/16/28/19/1091162819.db2.gz HYNYCAPERKXKSJ-INIZCTEOSA-N 1 0 320.477 3.136 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C(C)C)ccc2O)[C@@]12CCCO2 ZINC001205320254 1091183953 /nfs/dbraw/zinc/18/39/53/1091183953.db2.gz FYYWQHHWHVSHDW-QRVBRYPASA-N 1 0 319.445 3.332 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCc3cccc(O)c3C2)cc1OC ZINC001138439389 1091186011 /nfs/dbraw/zinc/18/60/11/1091186011.db2.gz IYKPJUTWJPYCTB-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO FC1(F)C[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]2C1 ZINC001138496940 1091205442 /nfs/dbraw/zinc/20/54/42/1091205442.db2.gz UZMMTRXOXMXHHM-IYBDPMFKSA-N 1 0 322.399 3.000 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC001138497015 1091206504 /nfs/dbraw/zinc/20/65/04/1091206504.db2.gz XMZXBNKUMMROQS-UHFFFAOYSA-N 1 0 324.415 3.390 20 10 DGCDRO C[C@@H]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@@H]1[NH3+] ZINC001205889277 1091394446 /nfs/dbraw/zinc/39/44/46/1091394446.db2.gz XCQHYCHIAOIGCF-ACJLOTCBSA-N 1 0 314.404 3.367 20 10 DGCDRO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001205912747 1091406939 /nfs/dbraw/zinc/40/69/39/1091406939.db2.gz BYDKIBXPMFETHV-NXEZZACHSA-N 1 0 303.233 3.258 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC001206205762 1091534972 /nfs/dbraw/zinc/53/49/72/1091534972.db2.gz RBVNZEMNAYSKFW-CYBMUJFWSA-N 1 0 323.433 3.119 20 10 DGCDRO CCCC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139409991 1091551648 /nfs/dbraw/zinc/55/16/48/1091551648.db2.gz ZLDJOUDLFUPIAQ-UHFFFAOYSA-N 1 0 315.505 3.451 20 10 DGCDRO CCN(CC)c1ccc(CN2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206342707 1091585313 /nfs/dbraw/zinc/58/53/13/1091585313.db2.gz ADKFZQWJLYFIEU-GOSISDBHSA-N 1 0 307.457 3.186 20 10 DGCDRO CN(C)c1ccc(CN2CCCC[C@@](F)(C[NH3+])C2)c(Cl)c1 ZINC001206352091 1091591544 /nfs/dbraw/zinc/59/15/44/1091591544.db2.gz OAPWUKYJYARKIG-MRXNPFEDSA-N 1 0 313.848 3.059 20 10 DGCDRO Cc1nc(C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)no1 ZINC001139672711 1091637298 /nfs/dbraw/zinc/63/72/98/1091637298.db2.gz CQFHAVDCCLVCCQ-UHFFFAOYSA-N 1 0 314.433 3.132 20 10 DGCDRO [NH3+]CCC1CC[NH+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001206507044 1091654106 /nfs/dbraw/zinc/65/41/06/1091654106.db2.gz YDUPBWOVUHEDMO-UHFFFAOYSA-N 1 0 303.233 3.260 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc3cccnc3c2)cc1 ZINC001139743168 1091661085 /nfs/dbraw/zinc/66/10/85/1091661085.db2.gz AZJWHFDFBXNWIY-UHFFFAOYSA-N 1 0 306.413 3.328 20 10 DGCDRO Nc1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc[nH+]1 ZINC001206550383 1091665815 /nfs/dbraw/zinc/66/58/15/1091665815.db2.gz HDURMOSZDRZZSW-UHFFFAOYSA-N 1 0 315.332 3.183 20 10 DGCDRO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055905 1091750953 /nfs/dbraw/zinc/75/09/53/1091750953.db2.gz ANMLGCYHQVDVJY-CYBMUJFWSA-N 1 0 311.353 3.057 20 10 DGCDRO C[C@H]1CC[C@H](C[NH3+])CN1Cc1cc(Cl)c(Cl)cc1O ZINC001206811505 1091751235 /nfs/dbraw/zinc/75/12/35/1091751235.db2.gz VQZOMMZBCGPADD-VHSXEESVSA-N 1 0 303.233 3.258 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001140055881 1091752027 /nfs/dbraw/zinc/75/20/27/1091752027.db2.gz ZCRBFORRLFBZIU-UHFFFAOYSA-N 1 0 319.351 3.154 20 10 DGCDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1O ZINC001140056388 1091752042 /nfs/dbraw/zinc/75/20/42/1091752042.db2.gz USWVKPLSTCLOEF-RISCZKNCSA-N 1 0 324.396 3.019 20 10 DGCDRO C[C@H]1CN(Cc2cc(F)ccc2O)CC[N@@H+]1C1CCCCC1 ZINC001140055975 1091752245 /nfs/dbraw/zinc/75/22/45/1091752245.db2.gz CACHHIBYFZSHMZ-AWEZNQCLSA-N 1 0 306.425 3.370 20 10 DGCDRO Oc1ccc(F)cc1CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001140058525 1091752711 /nfs/dbraw/zinc/75/27/11/1091752711.db2.gz FLFULFFWMOYELF-UHFFFAOYSA-N 1 0 323.371 3.275 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCC(Oc3cccnc3)CC2)c1O ZINC001140179406 1091791432 /nfs/dbraw/zinc/79/14/32/1091791432.db2.gz JTQWHGSLXNJZRN-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1O ZINC001140178689 1091792495 /nfs/dbraw/zinc/79/24/95/1091792495.db2.gz UWNNGMCIOTZCPR-UHFFFAOYSA-N 1 0 313.397 3.412 20 10 DGCDRO CCc1noc([C@H]2CCC[N@H+](Cc3c(C)ccc(C)c3O)C2)n1 ZINC001140183316 1091793910 /nfs/dbraw/zinc/79/39/10/1091793910.db2.gz BORZVNXGSHYLFC-AWEZNQCLSA-N 1 0 315.417 3.334 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184257 1091795611 /nfs/dbraw/zinc/79/56/11/1091795611.db2.gz PDDSVSOUPJOGJK-SFHVURJKSA-N 1 0 305.418 3.174 20 10 DGCDRO CC[NH+]1CCN(c2ccc(C[N@H+](C)CCC3CC3)cc2)CC1 ZINC001140306566 1091820542 /nfs/dbraw/zinc/82/05/42/1091820542.db2.gz TXUDAIROSDIKFL-UHFFFAOYSA-N 1 0 301.478 3.060 20 10 DGCDRO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001140340432 1091835021 /nfs/dbraw/zinc/83/50/21/1091835021.db2.gz XAHGGKKGRPPUCX-FUHWJXTLSA-N 1 0 317.816 3.224 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3nccc4occc43)CC2)c1 ZINC001140620894 1091934424 /nfs/dbraw/zinc/93/44/24/1091934424.db2.gz FRQHECMNMQFSTG-UHFFFAOYSA-N 1 0 323.396 3.164 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)c1 ZINC001140623135 1091934530 /nfs/dbraw/zinc/93/45/30/1091934530.db2.gz GZKZCNYDVCVQMQ-IBGZPJMESA-N 1 0 308.425 3.116 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c1 ZINC001140623137 1091934978 /nfs/dbraw/zinc/93/49/78/1091934978.db2.gz GZRWELPEDJXEEV-HNNXBMFYSA-N 1 0 305.418 3.397 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)c1 ZINC001140622972 1091935486 /nfs/dbraw/zinc/93/54/86/1091935486.db2.gz JHPVFQQHTPJFPK-UHFFFAOYSA-N 1 0 308.425 3.018 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)c1 ZINC001140624121 1091936820 /nfs/dbraw/zinc/93/68/20/1091936820.db2.gz HGYVUERUKHXCBR-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO CC1(C)C[C@H](C[N@@H+]2CCCc3cc(O)c(O)cc3C2)CCO1 ZINC001207364126 1091938554 /nfs/dbraw/zinc/93/85/54/1091938554.db2.gz UAWCCRCAQCLGOL-CYBMUJFWSA-N 1 0 305.418 3.051 20 10 DGCDRO C=C/C=C\CC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001207370468 1091942917 /nfs/dbraw/zinc/94/29/17/1091942917.db2.gz LPEKKHSWVDCOPN-WAYWQWQTSA-N 1 0 316.376 3.326 20 10 DGCDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140663759 1091949418 /nfs/dbraw/zinc/94/94/18/1091949418.db2.gz OOLAXJIWAOCIPF-INIZCTEOSA-N 1 0 306.425 3.427 20 10 DGCDRO CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207385896 1091951374 /nfs/dbraw/zinc/95/13/74/1091951374.db2.gz ZFUDORFMDCGVPW-QGZVFWFLSA-N 1 0 318.461 3.274 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1O ZINC001140749996 1091985180 /nfs/dbraw/zinc/98/51/80/1091985180.db2.gz RSVVMZJIVKVIMU-INIZCTEOSA-N 1 0 317.360 3.199 20 10 DGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(O)c(C)c3O)C2)cc1 ZINC001140748020 1091985224 /nfs/dbraw/zinc/98/52/24/1091985224.db2.gz RIOOVDWNNLOOIK-OAHLLOKOSA-N 1 0 313.397 3.404 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c(O)c1 ZINC001140850031 1092028471 /nfs/dbraw/zinc/02/84/71/1092028471.db2.gz AZQFWRYDQLLKBM-BEFAXECRSA-N 1 0 320.477 3.221 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2COC)c(O)c1 ZINC001140850455 1092028682 /nfs/dbraw/zinc/02/86/82/1092028682.db2.gz LQQIFMFNRVWEST-QGZVFWFLSA-N 1 0 306.450 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)c1 ZINC001140851066 1092029559 /nfs/dbraw/zinc/02/95/59/1092029559.db2.gz ZRDJFBWZINMCHW-VQIMIIECSA-N 1 0 318.461 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c(O)c1 ZINC001140855737 1092030198 /nfs/dbraw/zinc/03/01/98/1092030198.db2.gz JHBRMDXLCYPAJV-CQSZACIVSA-N 1 0 324.465 3.268 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(C)=O)C2)c(O)c1 ZINC001140856328 1092031218 /nfs/dbraw/zinc/03/12/18/1092031218.db2.gz XTGAVTYBOAZSJT-HNNXBMFYSA-N 1 0 304.434 3.039 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(Cl)c1 ZINC001140922203 1092063819 /nfs/dbraw/zinc/06/38/19/1092063819.db2.gz KJEQHZQVGLOZQL-YPMHNXCESA-N 1 0 300.780 3.493 20 10 DGCDRO CN(C)c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC001140923453 1092064904 /nfs/dbraw/zinc/06/49/04/1092064904.db2.gz BAKOWRBAMVQNCF-MRXNPFEDSA-N 1 0 307.869 3.076 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC001207685310 1092069498 /nfs/dbraw/zinc/06/94/98/1092069498.db2.gz OWMMZSDYZZBNME-UHFFFAOYSA-N 1 0 305.809 3.332 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(CCc3cccs3)CC2)c(O)c1 ZINC001140949788 1092074609 /nfs/dbraw/zinc/07/46/09/1092074609.db2.gz KYAWWKKFONBTRF-UHFFFAOYSA-N 1 0 316.470 3.122 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC001140953869 1092079552 /nfs/dbraw/zinc/07/95/52/1092079552.db2.gz ICFYVMDOFGSPRP-LSDHHAIUSA-N 1 0 305.418 3.112 20 10 DGCDRO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)C[C@H]1CCCCO1 ZINC001141075855 1092130264 /nfs/dbraw/zinc/13/02/64/1092130264.db2.gz CVWYMZPAFMHXGO-LJQANCHMSA-N 1 0 314.473 3.386 20 10 DGCDRO F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078183 1092131645 /nfs/dbraw/zinc/13/16/45/1092131645.db2.gz NZTGTHNPXNKUJQ-BZSNNMDCSA-N 1 0 300.421 3.318 20 10 DGCDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141141156 1092148895 /nfs/dbraw/zinc/14/88/95/1092148895.db2.gz VAXVVUMKVSZQQL-UHFFFAOYSA-N 1 0 324.424 3.082 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H]3Cc3ccccn3)ccc21 ZINC001141143706 1092150428 /nfs/dbraw/zinc/15/04/28/1092150428.db2.gz GOVOOYDDSCMQQK-GOSISDBHSA-N 1 0 323.440 3.117 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC(n3cnc4ccccc43)CC2)c1 ZINC001141163081 1092157541 /nfs/dbraw/zinc/15/75/41/1092157541.db2.gz OIXWPLXEDFMXDJ-UHFFFAOYSA-N 1 0 323.396 3.285 20 10 DGCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001276551454 1092159029 /nfs/dbraw/zinc/15/90/29/1092159029.db2.gz JHOYSNQEZGUYCX-CTXDPNEZSA-N 1 0 313.489 3.392 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001168819984 1092396724 /nfs/dbraw/zinc/39/67/24/1092396724.db2.gz XABWROMBTCSVEX-HZSPNIEDSA-N 1 0 320.433 3.441 20 10 DGCDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001168985421 1092462728 /nfs/dbraw/zinc/46/27/28/1092462728.db2.gz FCQFAZJRIVUERG-WBMJQRKESA-N 1 0 300.358 3.080 20 10 DGCDRO COc1ccc(N2CC[NH+](CCCC(C)C)CC2)c(OC)c1 ZINC001208737481 1092483529 /nfs/dbraw/zinc/48/35/29/1092483529.db2.gz MPFRWBPKJZOQNP-UHFFFAOYSA-N 1 0 306.450 3.262 20 10 DGCDRO COc1cccc2c1CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142530506 1092494617 /nfs/dbraw/zinc/49/46/17/1092494617.db2.gz IIDFZSSACQJKME-UHFFFAOYSA-N 1 0 305.324 3.237 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccn2ccnc12 ZINC001142960449 1092593890 /nfs/dbraw/zinc/59/38/90/1092593890.db2.gz ONSOOBPANLPCPU-UHFFFAOYSA-N 1 0 308.429 3.422 20 10 DGCDRO CN1C[C@H]2[C@H](C1)CCC[N@@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001143110872 1092616174 /nfs/dbraw/zinc/61/61/74/1092616174.db2.gz RYUVHJGZUYAGAM-YOEHRIQHSA-N 1 0 302.462 3.216 20 10 DGCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110774 1092616243 /nfs/dbraw/zinc/61/62/43/1092616243.db2.gz OOVSCBBMACACKO-DZGCQCFKSA-N 1 0 319.445 3.321 20 10 DGCDRO CC(C)(C)c1cccc(CN2CCC([NH+]3CCC3)CC2)c1O ZINC001143116626 1092618771 /nfs/dbraw/zinc/61/87/71/1092618771.db2.gz GIEXSZGJGGERJE-UHFFFAOYSA-N 1 0 302.462 3.360 20 10 DGCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001208999786 1092620219 /nfs/dbraw/zinc/62/02/19/1092620219.db2.gz SIYFIMFCAUKUDL-HNNXBMFYSA-N 1 0 320.433 3.224 20 10 DGCDRO CC[C@@H](C[N@@H+]1CCc2cccc(O)c2C1)NC(=O)OC(C)(C)C ZINC001209459886 1092783709 /nfs/dbraw/zinc/78/37/09/1092783709.db2.gz CNMPIWJYSIALMT-AWEZNQCLSA-N 1 0 320.433 3.054 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210267692 1093102971 /nfs/dbraw/zinc/10/29/71/1093102971.db2.gz SVBSIOYQUNIGLL-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2)c(O)c1OC ZINC001120040623 1094361154 /nfs/dbraw/zinc/36/11/54/1094361154.db2.gz JAVPMZATMAJNGI-UHFFFAOYSA-N 1 0 323.339 3.320 20 10 DGCDRO Nc1ccc(CN2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC001120370865 1094417217 /nfs/dbraw/zinc/41/72/17/1094417217.db2.gz HXKYXYVFFGEVII-UHFFFAOYSA-N 1 0 323.484 3.409 20 10 DGCDRO C[C@@H]1[NH2+]CCC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217707413 1094478610 /nfs/dbraw/zinc/47/86/10/1094478610.db2.gz UFXBENRBMMSKBL-XJKSGUPXSA-N 1 0 308.385 3.383 20 10 DGCDRO Cc1cccc(C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)c1O ZINC000406151552 1094495252 /nfs/dbraw/zinc/49/52/52/1094495252.db2.gz WFRFEAQHYKMROH-HXUWFJFHSA-N 1 0 310.441 3.455 20 10 DGCDRO O=C1C=CC=CC1=NNc1ccccc1O[C@@H]1C[NH2+]C[C@@H]1F ZINC001217997505 1094550203 /nfs/dbraw/zinc/55/02/03/1094550203.db2.gz BWZGASRMNAGQGU-UDEXNMDVSA-N 1 0 301.321 3.496 20 10 DGCDRO Cc1cccc2c1CC[C@@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218039026 1094573595 /nfs/dbraw/zinc/57/35/95/1094573595.db2.gz RTYXUMFEEZCSKP-FQEVSTJZSA-N 1 0 308.425 3.471 20 10 DGCDRO C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]2C1 ZINC001336889368 1094775051 /nfs/dbraw/zinc/77/50/51/1094775051.db2.gz SQBDVQVXOBIRCF-NWANDNLSSA-N 1 0 308.853 3.208 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)C)cc1C ZINC001135987801 1094787562 /nfs/dbraw/zinc/78/75/62/1094787562.db2.gz IOEJVIJGFCVYRV-HUUCEWRRSA-N 1 0 320.477 3.423 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C)cc1C ZINC001135987803 1094787627 /nfs/dbraw/zinc/78/76/27/1094787627.db2.gz IOEJVIJGFCVYRV-LSDHHAIUSA-N 1 0 320.477 3.423 20 10 DGCDRO Cc1nc(C[NH2+]Cc2ccc(Br)cc2O)cs1 ZINC000691439467 1094941785 /nfs/dbraw/zinc/94/17/85/1094941785.db2.gz FWJODBXPHRNJQD-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCc2cc(Cl)ccc21 ZINC001122370074 1094961010 /nfs/dbraw/zinc/96/10/10/1094961010.db2.gz RHYJYCQOCDCVEU-UHFFFAOYSA-N 1 0 312.800 3.189 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](CO)Cc1ccco1 ZINC001337785005 1095094591 /nfs/dbraw/zinc/09/45/91/1095094591.db2.gz INRJORRTRRNCAJ-FMKPAKJESA-N 1 0 315.413 3.283 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)CC2CCCCC2)cc1C ZINC001123150899 1095175050 /nfs/dbraw/zinc/17/50/50/1095175050.db2.gz GYEGEXYKINPNAI-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001626161042 1095389722 /nfs/dbraw/zinc/38/97/22/1095389722.db2.gz UZKKCDLDFGKXSJ-KRWDZBQOSA-N 1 0 318.461 3.394 20 10 DGCDRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116017133 1095437009 /nfs/dbraw/zinc/43/70/09/1095437009.db2.gz HKBXLCWRVQQGDA-MRXNPFEDSA-N 1 0 321.484 3.492 20 10 DGCDRO Cc1cc(CN2CC[C@@]23CCC[NH2+]C3)c(C)n1-c1ccccc1 ZINC001222192662 1095486125 /nfs/dbraw/zinc/48/61/25/1095486125.db2.gz YHDDFIRHONFFJH-HXUWFJFHSA-N 1 0 309.457 3.422 20 10 DGCDRO CC(C)(C)c1cccc(CN2CCC[C@]23CCC[NH2+]C3)c1O ZINC001222249951 1095511603 /nfs/dbraw/zinc/51/16/03/1095511603.db2.gz YHWKQXSJHODLMO-IBGZPJMESA-N 1 0 302.462 3.408 20 10 DGCDRO Oc1c(CN2CCC[C@]3(CC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001222287530 1095532343 /nfs/dbraw/zinc/53/23/43/1095532343.db2.gz LOYMAFGELTUPPM-FQEVSTJZSA-N 1 0 308.425 3.387 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H](O)C(F)(F)F ZINC001116425119 1095544503 /nfs/dbraw/zinc/54/45/03/1095544503.db2.gz TYNGBRSIEAQIFB-GJZGRUSLSA-N 1 0 316.367 3.078 20 10 DGCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116442020 1095554398 /nfs/dbraw/zinc/55/43/98/1095554398.db2.gz CULNKVUPXFZAOL-SFHVURJKSA-N 1 0 324.472 3.400 20 10 DGCDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116444987 1095557423 /nfs/dbraw/zinc/55/74/23/1095557423.db2.gz KPTWBHNDRFFBDG-JKSUJKDBSA-N 1 0 319.468 3.198 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC001116444525 1095557641 /nfs/dbraw/zinc/55/76/41/1095557641.db2.gz XECYEQDNHBPCDP-GOSISDBHSA-N 1 0 316.445 3.014 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222360169 1095572576 /nfs/dbraw/zinc/57/25/76/1095572576.db2.gz ILDWSUCGSZNNLW-HNNXBMFYSA-N 1 0 314.351 3.129 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@@]3(CCCC[NH2+]3)C2)cc1Cl ZINC001222397051 1095592769 /nfs/dbraw/zinc/59/27/69/1095592769.db2.gz ZDDYQYCCDRTCKF-KRWDZBQOSA-N 1 0 324.852 3.162 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@]3(CCCC[NH2+]3)C2)cc1Cl ZINC001222397052 1095593033 /nfs/dbraw/zinc/59/30/33/1095593033.db2.gz ZDDYQYCCDRTCKF-QGZVFWFLSA-N 1 0 324.852 3.162 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c(Cl)c1 ZINC001222426457 1095607271 /nfs/dbraw/zinc/60/72/71/1095607271.db2.gz CTURZGJELYIWGD-QGZVFWFLSA-N 1 0 307.869 3.124 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222434619 1095612966 /nfs/dbraw/zinc/61/29/66/1095612966.db2.gz LAUFWKKKRZLVFG-OAHLLOKOSA-N 1 0 315.244 3.417 20 10 DGCDRO Oc1ccc(Br)cc1CNc1ccc2c(c1)C[NH2+]C2 ZINC001171177569 1095647389 /nfs/dbraw/zinc/64/73/89/1095647389.db2.gz CBKUISDATHVNJT-UHFFFAOYSA-N 1 0 319.202 3.370 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2cc(F)cc(F)c2)cc1OC ZINC001116781246 1095657423 /nfs/dbraw/zinc/65/74/23/1095657423.db2.gz YGAOKMYAKJKBQO-UHFFFAOYSA-N 1 0 323.339 3.320 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1F ZINC001116843018 1095678081 /nfs/dbraw/zinc/67/80/81/1095678081.db2.gz QGVRBPFQCHGSMO-GOSISDBHSA-N 1 0 306.425 3.019 20 10 DGCDRO Oc1cc(O)c(C[NH+]2CCC(c3ccc(F)cc3)CC2)c(O)c1 ZINC001144508966 1095698745 /nfs/dbraw/zinc/69/87/45/1095698745.db2.gz FWHDAZAWSXVQKU-UHFFFAOYSA-N 1 0 317.360 3.322 20 10 DGCDRO [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629169 1095701026 /nfs/dbraw/zinc/70/10/26/1095701026.db2.gz CWIWSUQSLQXKIK-PHIMTYICSA-N 1 0 315.244 3.130 20 10 DGCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137855972 1095767144 /nfs/dbraw/zinc/76/71/44/1095767144.db2.gz MAZGBKHTBAHXBL-INIZCTEOSA-N 1 0 312.413 3.089 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3cccc4cc[nH]c43)CC2)cc1 ZINC001144705844 1095772388 /nfs/dbraw/zinc/77/23/88/1095772388.db2.gz UVFVUEJFFDDLEG-UHFFFAOYSA-N 1 0 321.424 3.499 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ncccc1N(C)C ZINC001117633510 1095787464 /nfs/dbraw/zinc/78/74/64/1095787464.db2.gz RZXKSKVKHVRSDY-ZIAGYGMSSA-N 1 0 311.429 3.500 20 10 DGCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCCC2)cc1 ZINC001117630220 1095787548 /nfs/dbraw/zinc/78/75/48/1095787548.db2.gz PNDDIFRFKILZNM-YLJYHZDGSA-N 1 0 313.489 3.345 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC001117671850 1095795157 /nfs/dbraw/zinc/79/51/57/1095795157.db2.gz RBEAXLQTMORERM-CZUORRHYSA-N 1 0 324.424 3.067 20 10 DGCDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001117745007 1095826695 /nfs/dbraw/zinc/82/66/95/1095826695.db2.gz DPFFNEUVAPSCTD-IBGZPJMESA-N 1 0 302.462 3.318 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001138123898 1095894057 /nfs/dbraw/zinc/89/40/57/1095894057.db2.gz QNMCXVAATHCKMM-UHFFFAOYSA-N 1 0 316.376 3.217 20 10 DGCDRO CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001224518497 1096230511 /nfs/dbraw/zinc/23/05/11/1096230511.db2.gz NNYGOXVZUHDWJU-IAGOWNOFSA-N 1 0 318.461 3.321 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC001119606944 1096231734 /nfs/dbraw/zinc/23/17/34/1096231734.db2.gz UXOKISUAXULVOH-ZRGWGRIASA-N 1 0 319.445 3.423 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@H](C)CC2)cc1C ZINC001148494436 1096384834 /nfs/dbraw/zinc/38/48/34/1096384834.db2.gz PENWZGAYOIUWFD-CZIWCDLHSA-N 1 0 318.461 3.036 20 10 DGCDRO Oc1ccc(CC[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)cc1O ZINC001171451732 1096886032 /nfs/dbraw/zinc/88/60/32/1096886032.db2.gz BBZIMTXDVQQCHD-CQSZACIVSA-N 1 0 319.351 3.066 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)cc1O ZINC001171463264 1096892037 /nfs/dbraw/zinc/89/20/37/1096892037.db2.gz PHQMXHIPNOGWPK-ZDUSSCGKSA-N 1 0 305.324 3.023 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)cc1O ZINC001171516149 1096916164 /nfs/dbraw/zinc/91/61/64/1096916164.db2.gz KMTTYDMOQDNHPJ-NSHDSACASA-N 1 0 323.314 3.162 20 10 DGCDRO CC[C@@H](C)OCC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001172334448 1097116843 /nfs/dbraw/zinc/11/68/43/1097116843.db2.gz CNWFXQNVTHXDCC-DLBZAZTESA-N 1 0 320.477 3.411 20 10 DGCDRO O=C(C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)c1ccc(O)c(O)c1 ZINC001172552545 1097177967 /nfs/dbraw/zinc/17/79/67/1097177967.db2.gz GCWXUWYKKJCCEU-ZBFHGGJFSA-N 1 0 311.381 3.206 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccccc1O ZINC001172670867 1097211682 /nfs/dbraw/zinc/21/16/82/1097211682.db2.gz KCUYAPZBALOKGM-RDJZCZTQSA-N 1 0 324.424 3.234 20 10 DGCDRO Oc1ccc([C@@H](O)C[NH2+]C2CCC3(CCCC3)CC2)cc1O ZINC001172723018 1097217333 /nfs/dbraw/zinc/21/73/33/1097217333.db2.gz MDOSJTLSXJVKGW-KRWDZBQOSA-N 1 0 305.418 3.224 20 10 DGCDRO COC(=O)[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001172808098 1097245167 /nfs/dbraw/zinc/24/51/67/1097245167.db2.gz QXXVBCWIMKMMHZ-WMZOPIPTSA-N 1 0 318.461 3.306 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H]3CCC[C@H](OC)C3)CC2)c(C)c1 ZINC001172945955 1097289874 /nfs/dbraw/zinc/28/98/74/1097289874.db2.gz DEPRPOPVVGFRJY-SJORKVTESA-N 1 0 318.461 3.083 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1COc2cccc(OC)c2C1 ZINC001173165949 1097342228 /nfs/dbraw/zinc/34/22/28/1097342228.db2.gz QABWYOZJDDASCF-HNNXBMFYSA-N 1 0 313.397 3.226 20 10 DGCDRO CCc1ccc(C[C@@H](C)[NH2+]CC(=O)c2ccc(O)c(O)c2)cc1 ZINC001173245274 1097383237 /nfs/dbraw/zinc/38/32/37/1097383237.db2.gz SGDFUEZTRFKXQB-CYBMUJFWSA-N 1 0 313.397 3.064 20 10 DGCDRO COc1ccc(Br)c(C[N@@H+]2CCC3(CC3)C2)c1O ZINC001231550205 1097778177 /nfs/dbraw/zinc/77/81/77/1097778177.db2.gz KIVUAYZTKLFNIB-UHFFFAOYSA-N 1 0 312.207 3.149 20 10 DGCDRO OC[C@]1(F)CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231586469 1097786242 /nfs/dbraw/zinc/78/62/42/1097786242.db2.gz IHIYLSYVBHKQEI-SFHVURJKSA-N 1 0 303.377 3.232 20 10 DGCDRO COc1ccc(CC[N@H+](C)Cc2cccc(C)c2O)cc1OC ZINC001231590985 1097787234 /nfs/dbraw/zinc/78/72/34/1097787234.db2.gz NBPUKXXMFHXXQH-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO CC(=O)N1CCCCC12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001231592978 1097787443 /nfs/dbraw/zinc/78/74/43/1097787443.db2.gz MFHUOSYYBQGSGP-UHFFFAOYSA-N 1 0 316.445 3.068 20 10 DGCDRO Cc1cccc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c1O ZINC001231595454 1097788558 /nfs/dbraw/zinc/78/85/58/1097788558.db2.gz VJMOLBMHTQCRQV-IRXDYDNUSA-N 1 0 306.425 3.099 20 10 DGCDRO CC[N@H+](Cc1cccc(F)c1)Cc1cc(OC)c(O)cc1O ZINC001231637127 1097797113 /nfs/dbraw/zinc/79/71/13/1097797113.db2.gz FIJQCXVUZFLVIP-UHFFFAOYSA-N 1 0 305.349 3.268 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(O)cc1O ZINC001231635738 1097797487 /nfs/dbraw/zinc/79/74/87/1097797487.db2.gz JCVLEPOCYYIYTN-OAHLLOKOSA-N 1 0 313.397 3.171 20 10 DGCDRO Cc1cnc(N2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)s1 ZINC001231847358 1097861795 /nfs/dbraw/zinc/86/17/95/1097861795.db2.gz XTUBKEQGCMWBAW-UHFFFAOYSA-N 1 0 317.458 3.096 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c(O)c1 ZINC001231850234 1097863370 /nfs/dbraw/zinc/86/33/70/1097863370.db2.gz MRWXWRGKMZYTIE-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)c(O)c1 ZINC001231848743 1097863556 /nfs/dbraw/zinc/86/35/56/1097863556.db2.gz KVVKUYIYOJIRDX-FQEVSTJZSA-N 1 0 322.452 3.424 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001231849226 1097863813 /nfs/dbraw/zinc/86/38/13/1097863813.db2.gz OXRSYOKBHGJOIO-HNNXBMFYSA-N 1 0 316.367 3.330 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c(O)c1 ZINC001231849167 1097864060 /nfs/dbraw/zinc/86/40/60/1097864060.db2.gz PCXPFWLZZATWOA-UHFFFAOYSA-N 1 0 309.413 3.235 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001231849549 1097864147 /nfs/dbraw/zinc/86/41/47/1097864147.db2.gz VTUZGMPDCXAWDB-SFHVURJKSA-N 1 0 311.429 3.493 20 10 DGCDRO CCC(=O)N(CC)C1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231850478 1097864188 /nfs/dbraw/zinc/86/41/88/1097864188.db2.gz QIKASHXLYQLZKA-UHFFFAOYSA-N 1 0 318.461 3.232 20 10 DGCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CCCOC2)CC1 ZINC001231857933 1097866586 /nfs/dbraw/zinc/86/65/86/1097866586.db2.gz PAKOSWFOOLTUPQ-UHFFFAOYSA-N 1 0 318.461 3.154 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001231855429 1097867271 /nfs/dbraw/zinc/86/72/71/1097867271.db2.gz TZUVMUNZXAUIBF-UHFFFAOYSA-N 1 0 312.413 3.025 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)cc1Cl ZINC001231870071 1097870697 /nfs/dbraw/zinc/87/06/97/1097870697.db2.gz HWYJTYDNSSWMIL-MRXNPFEDSA-N 1 0 309.793 3.026 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@](O)(CF)C2)cc1Cl ZINC001231866656 1097870893 /nfs/dbraw/zinc/87/08/93/1097870893.db2.gz BNMFYYLZZIKRAJ-OAHLLOKOSA-N 1 0 301.789 3.041 20 10 DGCDRO CCC[NH+]1C[C@H]2CN(Cc3cc(Cl)c(C)cc3O)C[C@@H]2C1 ZINC001231871459 1097872199 /nfs/dbraw/zinc/87/21/99/1097872199.db2.gz KZRQACDBZZZWCE-GJZGRUSLSA-N 1 0 308.853 3.128 20 10 DGCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231880931 1097877974 /nfs/dbraw/zinc/87/79/74/1097877974.db2.gz OJJMDILLMQXBSS-BBRMVZONSA-N 1 0 313.397 3.176 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3cc(C)nc(C)c3)CC2)cc1 ZINC001231995458 1097909958 /nfs/dbraw/zinc/90/99/58/1097909958.db2.gz MHJFPUNVBUNWCV-UHFFFAOYSA-N 1 0 311.429 3.029 20 10 DGCDRO Clc1cc(C[N@@H+]2CCC[C@H]3C[C@H]32)ccc1N1CCOCC1 ZINC001232201735 1097963975 /nfs/dbraw/zinc/96/39/75/1097963975.db2.gz MIDZHXGAWRSUBQ-WMLDXEAASA-N 1 0 306.837 3.161 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)c(O)cc1O ZINC001232262606 1097984806 /nfs/dbraw/zinc/98/48/06/1097984806.db2.gz LFUSHEBLOBETDB-UHFFFAOYSA-N 1 0 321.760 3.112 20 10 DGCDRO Oc1cc(O)c(C[NH+]2CCC3(CCCOC3)CC2)cc1Cl ZINC001232263160 1097985283 /nfs/dbraw/zinc/98/52/83/1097985283.db2.gz IRPLBBYVHXGXKE-UHFFFAOYSA-N 1 0 311.809 3.144 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC3(C2)CCOCC3)cc1Cl ZINC001232264938 1097986599 /nfs/dbraw/zinc/98/65/99/1097986599.db2.gz OUDYFMKERFVHES-UHFFFAOYSA-N 1 0 311.809 3.057 20 10 DGCDRO COc1ccc(CC[N@H+](C)Cc2cc(Cl)c(O)cc2O)cc1 ZINC001232267048 1097986993 /nfs/dbraw/zinc/98/69/93/1097986993.db2.gz ICAFMSCWVMEJHI-UHFFFAOYSA-N 1 0 321.804 3.434 20 10 DGCDRO CCOc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1C ZINC001232312266 1098001389 /nfs/dbraw/zinc/00/13/89/1098001389.db2.gz SYWBJXNZLIKZOS-UHFFFAOYSA-N 1 0 313.445 3.487 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCC3(CCC3)C2)c2ccccc2n1C ZINC001232405031 1098030006 /nfs/dbraw/zinc/03/00/06/1098030006.db2.gz DRPTXTIUIIKNDA-UHFFFAOYSA-N 1 0 312.413 3.341 20 10 DGCDRO CC[C@@H]1CCC[N@@H+]1Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232404528 1098030176 /nfs/dbraw/zinc/03/01/76/1098030176.db2.gz VGYGSZSJTAIQLQ-CYBMUJFWSA-N 1 0 300.402 3.339 20 10 DGCDRO CC[C@H]1CCC[N@@H+]1Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232407906 1098030262 /nfs/dbraw/zinc/03/02/62/1098030262.db2.gz VGYGSZSJTAIQLQ-ZDUSSCGKSA-N 1 0 300.402 3.339 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccccc2O)c1O ZINC001175417775 1098039663 /nfs/dbraw/zinc/03/96/63/1098039663.db2.gz AVFRKBBNZBAETQ-SNVBAGLBSA-N 1 0 303.333 3.290 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)c1ccccc1O ZINC001175419194 1098040367 /nfs/dbraw/zinc/04/03/67/1098040367.db2.gz SOHYNNHOCPIRRL-GFCCVEGCSA-N 1 0 302.349 3.211 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3CCCC3)CC2)c(OC)c1 ZINC001175513871 1098079260 /nfs/dbraw/zinc/07/92/60/1098079260.db2.gz ZAVZNOKOIJAKIL-UHFFFAOYSA-N 1 0 304.434 3.016 20 10 DGCDRO C[N@@H+]1CCC=C(n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001175575290 1098102363 /nfs/dbraw/zinc/10/23/63/1098102363.db2.gz QVZUTDSLHWXFSI-HWFPJJNUSA-N 1 0 308.389 3.142 20 10 DGCDRO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2O)no1 ZINC001232835085 1098148229 /nfs/dbraw/zinc/14/82/29/1098148229.db2.gz VJLLAEUUPFYAOX-INIZCTEOSA-N 1 0 301.390 3.092 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001232840005 1098150373 /nfs/dbraw/zinc/15/03/73/1098150373.db2.gz ZUDKYEIYEKACBK-GOSISDBHSA-N 1 0 312.413 3.112 20 10 DGCDRO CCCC[NH+]1CCC([N@H+](C)Cc2ccc(N(C)C)cc2O)CC1 ZINC001232841669 1098150416 /nfs/dbraw/zinc/15/04/16/1098150416.db2.gz NXBVHXRYEDIYLD-UHFFFAOYSA-N 1 0 319.493 3.155 20 10 DGCDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1cc(O)c(O)c(O)c1 ZINC001233015529 1098204026 /nfs/dbraw/zinc/20/40/26/1098204026.db2.gz QQXFIVHLFASWQV-UHFFFAOYSA-N 1 0 307.777 3.479 20 10 DGCDRO CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077850 1098220998 /nfs/dbraw/zinc/22/09/98/1098220998.db2.gz ZUJZAVLLILMXHB-UHFFFAOYSA-N 1 0 312.404 3.223 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CC2CC2)cc1Br ZINC001233135033 1098235443 /nfs/dbraw/zinc/23/54/43/1098235443.db2.gz JXOMUZIMAHOJIF-UHFFFAOYSA-N 1 0 300.196 3.005 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CC(C)C)cc1Br ZINC001233135038 1098235745 /nfs/dbraw/zinc/23/57/45/1098235745.db2.gz KDOWWGDIPKLCTL-UHFFFAOYSA-N 1 0 302.212 3.251 20 10 DGCDRO CCC[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001277770879 1098239642 /nfs/dbraw/zinc/23/96/42/1098239642.db2.gz JJSDCDXYFOMJIW-GDBMZVCRSA-N 1 0 320.477 3.376 20 10 DGCDRO Nc1ccc(OCCOc2ccc(Nc3[nH]cc[nH+]3)cc2)cc1 ZINC001176085187 1098245861 /nfs/dbraw/zinc/24/58/61/1098245861.db2.gz FZXSJMMIEJCDOI-UHFFFAOYSA-N 1 0 310.357 3.193 20 10 DGCDRO CCOC(=O)c1c(C[N@@H+]2CCC3(CC3)C2)c2ccccc2n1C ZINC001233271394 1098269843 /nfs/dbraw/zinc/26/98/43/1098269843.db2.gz XSMDSTKGMUOOCO-UHFFFAOYSA-N 1 0 312.413 3.341 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CC(c3cccnc3)C2)c1O ZINC001233290243 1098277545 /nfs/dbraw/zinc/27/75/45/1098277545.db2.gz RKTAUVFZOYWCCP-UHFFFAOYSA-N 1 0 304.777 3.049 20 10 DGCDRO Oc1ccc(F)c(F)c1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001233334645 1098293246 /nfs/dbraw/zinc/29/32/46/1098293246.db2.gz OMRDJROOKLIHQS-CYBMUJFWSA-N 1 0 310.388 3.121 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@]1(C)O ZINC001233452392 1098338133 /nfs/dbraw/zinc/33/81/33/1098338133.db2.gz UWNPCAGLKDYECG-ABAIWWIYSA-N 1 0 317.351 3.394 20 10 DGCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233452475 1098338438 /nfs/dbraw/zinc/33/84/38/1098338438.db2.gz YBEMCTJLTWDJOO-QWRGUYRKSA-N 1 0 303.324 3.004 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001233454017 1098340034 /nfs/dbraw/zinc/34/00/34/1098340034.db2.gz CPYDRXSBXMNHOK-CQSZACIVSA-N 1 0 314.351 3.081 20 10 DGCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455113 1098340524 /nfs/dbraw/zinc/34/05/24/1098340524.db2.gz WYEQRUZMGFHKOC-ZDUSSCGKSA-N 1 0 303.324 3.146 20 10 DGCDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233455107 1098341171 /nfs/dbraw/zinc/34/11/71/1098341171.db2.gz WTKBNQPWBWBNIH-JSGCOSHPSA-N 1 0 301.308 3.164 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001233454555 1098341209 /nfs/dbraw/zinc/34/12/09/1098341209.db2.gz ZACSPSSYPWUFIV-AWEZNQCLSA-N 1 0 314.351 3.081 20 10 DGCDRO CC[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2O)C(C)(C)C1 ZINC001233455246 1098341542 /nfs/dbraw/zinc/34/15/42/1098341542.db2.gz CERXINZTYHCBLK-UHFFFAOYSA-N 1 0 316.367 3.327 20 10 DGCDRO CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)C[NH+](CC)CC ZINC001233497644 1098352084 /nfs/dbraw/zinc/35/20/84/1098352084.db2.gz QHAUFXMKHQQDTO-LBPRGKRZSA-N 1 0 309.406 3.190 20 10 DGCDRO CO[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233760867 1098425073 /nfs/dbraw/zinc/42/50/73/1098425073.db2.gz MLCRCOVXDXBCJP-LBPRGKRZSA-N 1 0 319.323 3.292 20 10 DGCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233761248 1098425501 /nfs/dbraw/zinc/42/55/01/1098425501.db2.gz QQCZEIWYUGSPSY-LLVKDONJSA-N 1 0 317.307 3.092 20 10 DGCDRO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233768056 1098427099 /nfs/dbraw/zinc/42/70/99/1098427099.db2.gz KBZJSCGCGKIXKS-GFCCVEGCSA-N 1 0 317.307 3.234 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)c1ccc(F)cc1 ZINC001206286858 1098447037 /nfs/dbraw/zinc/44/70/37/1098447037.db2.gz NACRAKUKDMCMIT-CYBMUJFWSA-N 1 0 309.768 3.050 20 10 DGCDRO O=c1[nH]cc(C[N@@H+]2CCc3cccc(O)c3C2)c2ccccc12 ZINC001234008483 1098476019 /nfs/dbraw/zinc/47/60/19/1098476019.db2.gz YSDJRSDNWTZOPP-UHFFFAOYSA-N 1 0 306.365 3.204 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCC[C@H](C)C1 ZINC001177261676 1098508160 /nfs/dbraw/zinc/50/81/60/1098508160.db2.gz IPISWIIBOLMLBX-JKSUJKDBSA-N 1 0 302.462 3.222 20 10 DGCDRO CCC[N@H+](CCOC)Cc1c(O)ccc2ccc(OC)cc21 ZINC001234519182 1098577547 /nfs/dbraw/zinc/57/75/47/1098577547.db2.gz RRKUHTNSYFTZKL-UHFFFAOYSA-N 1 0 303.402 3.412 20 10 DGCDRO c1ccc2c(c1)CCO[C@@H]2C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001177816330 1098604936 /nfs/dbraw/zinc/60/49/36/1098604936.db2.gz KXGIRSQNKLJEDM-HXUWFJFHSA-N 1 0 309.409 3.415 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CCc4cccnc43)cc2)CC1 ZINC001234658168 1098634639 /nfs/dbraw/zinc/63/46/39/1098634639.db2.gz WEAKVXMHFGJCIE-LJQANCHMSA-N 1 0 323.440 3.290 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)C3CCOCC3)cc2)CC1 ZINC001234658126 1098634828 /nfs/dbraw/zinc/63/48/28/1098634828.db2.gz VATPLGQRAWOXKC-INIZCTEOSA-N 1 0 318.461 3.022 20 10 DGCDRO CC[NH+]1CCN(c2ccc(OC3Cc4ccccc4C3)cc2)CC1 ZINC001234658022 1098635126 /nfs/dbraw/zinc/63/51/26/1098635126.db2.gz QYBIEANOPFXATQ-UHFFFAOYSA-N 1 0 322.452 3.375 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)C[C@@H]2CCOC2)ccc1OC ZINC001178152265 1098724278 /nfs/dbraw/zinc/72/42/78/1098724278.db2.gz ITCASMWLYLZBLS-ZBFHGGJFSA-N 1 0 307.434 3.136 20 10 DGCDRO CO[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1F ZINC001234992809 1098736531 /nfs/dbraw/zinc/73/65/31/1098736531.db2.gz RSPSTAJKYWTHLJ-DLBZAZTESA-N 1 0 301.361 3.228 20 10 DGCDRO Oc1c(C[N@@H+]2CCC3(C2)OCCO3)cccc1-c1ccccc1 ZINC001234995271 1098739121 /nfs/dbraw/zinc/73/91/21/1098739121.db2.gz KJXAATSLEGPNRR-UHFFFAOYSA-N 1 0 311.381 3.008 20 10 DGCDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2ccccc2)c1O ZINC001235001556 1098745946 /nfs/dbraw/zinc/74/59/46/1098745946.db2.gz VJLJWNDKUJEFQH-ROUUACIJSA-N 1 0 308.425 3.338 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCCCC12C[NH2+]C2 ZINC001235103597 1098803207 /nfs/dbraw/zinc/80/32/07/1098803207.db2.gz FWTXMDSYBHRANF-UHFFFAOYSA-N 1 0 301.217 3.027 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CCCC23C[NH2+]C3)cc1Cl ZINC001235103098 1098803884 /nfs/dbraw/zinc/80/38/84/1098803884.db2.gz RPWBAAQDEDUBBS-UHFFFAOYSA-N 1 0 308.853 3.281 20 10 DGCDRO Cc1cc(CN2CCC[C@@]23CC[NH2+]C3)c(C)n1-c1ccccc1 ZINC001235110335 1098811162 /nfs/dbraw/zinc/81/11/62/1098811162.db2.gz KQJUQLIVJWGNAV-FQEVSTJZSA-N 1 0 309.457 3.422 20 10 DGCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCO[C@H]1C1CC1 ZINC001178440782 1098815968 /nfs/dbraw/zinc/81/59/68/1098815968.db2.gz RWWNMAFTHXQPGU-RBUKOAKNSA-N 1 0 301.430 3.306 20 10 DGCDRO CN(C)c1ccc(CN2CCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235145347 1098836160 /nfs/dbraw/zinc/83/61/60/1098836160.db2.gz UOWSCCUNNMXNAL-UHFFFAOYSA-N 1 0 307.869 3.124 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCCC[C@@]23CCC[NH2+]C3)c1O ZINC001235177548 1098858898 /nfs/dbraw/zinc/85/88/98/1098858898.db2.gz QFMADGUKEGXZDT-KRWDZBQOSA-N 1 0 308.853 3.462 20 10 DGCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)c(O)c1 ZINC001235220616 1098892585 /nfs/dbraw/zinc/89/25/85/1098892585.db2.gz IEZPPMISFWMFFP-RBUKOAKNSA-N 1 0 308.425 3.080 20 10 DGCDRO [O-]c1cc(F)cc(F)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235226758 1098898971 /nfs/dbraw/zinc/89/89/71/1098898971.db2.gz FGRYNABBOBKFCJ-INIZCTEOSA-N 1 0 310.388 3.025 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(-c3ccccn3)n[nH]2)c1 ZINC001179049145 1099000082 /nfs/dbraw/zinc/00/00/82/1099000082.db2.gz DVDRTBCIGFZLQB-GFCCVEGCSA-N 1 0 324.384 3.037 20 10 DGCDRO CC(C)[C@@H]1CNCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235452644 1099042112 /nfs/dbraw/zinc/04/21/12/1099042112.db2.gz IITAJPXSVBHHGP-FQEVSTJZSA-N 1 0 311.473 3.336 20 10 DGCDRO CC(C)[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[NH2+]1 ZINC001235470394 1099054179 /nfs/dbraw/zinc/05/41/79/1099054179.db2.gz FMTJUXBSIAIIIM-IBGZPJMESA-N 1 0 301.478 3.107 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c(O)c1 ZINC001235676922 1099120717 /nfs/dbraw/zinc/12/07/17/1099120717.db2.gz XIQUUOSYXZWGBY-GOSISDBHSA-N 1 0 309.425 3.376 20 10 DGCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235678732 1099121924 /nfs/dbraw/zinc/12/19/24/1099121924.db2.gz MDAQZHPDKAOVOY-CQSZACIVSA-N 1 0 319.445 3.465 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c(O)c1 ZINC001235678712 1099121955 /nfs/dbraw/zinc/12/19/55/1099121955.db2.gz MBIUCAPWGYNOIU-IBGZPJMESA-N 1 0 317.429 3.361 20 10 DGCDRO C1=C[C@@H](CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001179501843 1099124983 /nfs/dbraw/zinc/12/49/83/1099124983.db2.gz FVHSCJCSLBDVJX-QGZVFWFLSA-N 1 0 300.446 3.359 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](N)c1ccccc1 ZINC001235690987 1099130371 /nfs/dbraw/zinc/13/03/71/1099130371.db2.gz GEPJXRWVWUETHJ-HXUWFJFHSA-N 1 0 309.457 3.419 20 10 DGCDRO Oc1c(F)cccc1CN1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001235809408 1099189865 /nfs/dbraw/zinc/18/98/65/1099189865.db2.gz CWSZEOHEVAWSRC-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO Cc1cc(C[N@@H+]2CCN[C@@H](c3ccccc3)C2)ccc1N(C)C ZINC001235854454 1099214566 /nfs/dbraw/zinc/21/45/66/1099214566.db2.gz OSSJSHVTGRWGQG-LJQANCHMSA-N 1 0 309.457 3.208 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N)cc1 ZINC001235866938 1099227997 /nfs/dbraw/zinc/22/79/97/1099227997.db2.gz JWZAACCRDZPMMC-XIRDDKMYSA-N 1 0 316.445 3.211 20 10 DGCDRO CC(C)C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2O)CC[NH2+]1 ZINC001235882785 1099231880 /nfs/dbraw/zinc/23/18/80/1099231880.db2.gz ZTKUYKILKWFFOZ-AWEZNQCLSA-N 1 0 316.367 3.231 20 10 DGCDRO Oc1c(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)cccc1-c1ccccc1 ZINC001236061266 1099360677 /nfs/dbraw/zinc/36/06/77/1099360677.db2.gz ZXYWFGMCSSUVSE-YJBOKZPZSA-N 1 0 308.425 3.243 20 10 DGCDRO CN(CC[NH3+])CCC=C1c2ccccc2CCc2ccccc21 ZINC001236100638 1099388553 /nfs/dbraw/zinc/38/85/53/1099388553.db2.gz FQLFAAZSQQXUFS-UHFFFAOYSA-N 1 0 306.453 3.498 20 10 DGCDRO CCC[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CC[NH2+]1 ZINC001236179203 1099448776 /nfs/dbraw/zinc/44/87/76/1099448776.db2.gz YHTZRVWDWUBNJM-KRWDZBQOSA-N 1 0 311.473 3.480 20 10 DGCDRO CN(Cc1ccc(C(F)(F)F)cc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216746 1099474220 /nfs/dbraw/zinc/47/42/20/1099474220.db2.gz MGPVWOLVLADABC-QWHCGFSZSA-N 1 0 302.340 3.113 20 10 DGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H](Sc3ccncc3)C2)c(O)c1 ZINC001204279116 1099499122 /nfs/dbraw/zinc/49/91/22/1099499122.db2.gz RAHGYUAXHXIZCR-MRXNPFEDSA-N 1 0 316.426 3.250 20 10 DGCDRO [NH3+]C[C@H]1CCCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236252832 1099502378 /nfs/dbraw/zinc/50/23/78/1099502378.db2.gz QNVSWNOBBMXFFE-QGZVFWFLSA-N 1 0 300.377 3.121 20 10 DGCDRO Oc1ccccc1CN(Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236393710 1099571264 /nfs/dbraw/zinc/57/12/64/1099571264.db2.gz LZWMDJFNSIQMDR-SFHVURJKSA-N 1 0 314.404 3.286 20 10 DGCDRO CCOc1cccc(CN(CC(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236473535 1099631450 /nfs/dbraw/zinc/63/14/50/1099631450.db2.gz KXZYNFLWSYRZLB-MRXNPFEDSA-N 1 0 306.450 3.001 20 10 DGCDRO [NH3+]CCN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1O ZINC001236524516 1099660694 /nfs/dbraw/zinc/66/06/94/1099660694.db2.gz VUZSMBGAJDEDLF-UHFFFAOYSA-N 1 0 324.346 3.372 20 10 DGCDRO CC(C)N(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CC[NH2+]C1 ZINC001236527714 1099661875 /nfs/dbraw/zinc/66/18/75/1099661875.db2.gz AHTUSNDFVFQOJB-OAHLLOKOSA-N 1 0 316.445 3.149 20 10 DGCDRO CCOc1ncc(C[N@H+](CC)Cc2ccccc2O)cc1F ZINC001236702478 1099748383 /nfs/dbraw/zinc/74/83/83/1099748383.db2.gz UJEDDBRMQMGFMV-UHFFFAOYSA-N 1 0 304.365 3.347 20 10 DGCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236761978 1099774376 /nfs/dbraw/zinc/77/43/76/1099774376.db2.gz LXUGEUCSLBNRKJ-GFCCVEGCSA-N 1 0 314.223 3.481 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236769804 1099776060 /nfs/dbraw/zinc/77/60/60/1099776060.db2.gz YXUGTJVFDUNGKC-JTQLQIEISA-N 1 0 314.223 3.482 20 10 DGCDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236774818 1099779189 /nfs/dbraw/zinc/77/91/89/1099779189.db2.gz IKVFDMYJAKJVFP-VHSXEESVSA-N 1 0 314.223 3.481 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001236784352 1099782792 /nfs/dbraw/zinc/78/27/92/1099782792.db2.gz VCBIDIPQCSLQSJ-HNNXBMFYSA-N 1 0 317.351 3.234 20 10 DGCDRO CCc1ccc(C[NH+]2CCN(c3cccc(F)c3)CC2)c(O)c1 ZINC001236786404 1099782809 /nfs/dbraw/zinc/78/28/09/1099782809.db2.gz BQCBYOSCNAOLEU-UHFFFAOYSA-N 1 0 314.404 3.416 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001236789678 1099784528 /nfs/dbraw/zinc/78/45/28/1099784528.db2.gz DJMUVDWPCIXAFI-IBGZPJMESA-N 1 0 311.425 3.398 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCc3cnc(C4CC4)nc3C2)c(O)c1 ZINC001236789505 1099784717 /nfs/dbraw/zinc/78/47/17/1099784717.db2.gz XEQUBBPDIMACCR-UHFFFAOYSA-N 1 0 309.413 3.180 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])[C@@H]1CO ZINC001236794145 1099787460 /nfs/dbraw/zinc/78/74/60/1099787460.db2.gz QEEATGNXDMPRRV-TVQRCGJNSA-N 1 0 304.217 3.292 20 10 DGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(CC)cc3O)C2)n1 ZINC001236792275 1099787791 /nfs/dbraw/zinc/78/77/91/1099787791.db2.gz NISFIZRZFHYIGA-OAHLLOKOSA-N 1 0 315.417 3.280 20 10 DGCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794258 1099789034 /nfs/dbraw/zinc/78/90/34/1099789034.db2.gz QZBLKAITBVGVGR-ZJUUUORDSA-N 1 0 304.217 3.292 20 10 DGCDRO CCOC(=O)N1CCC([N@H+](C)Cc2ccc(CC)cc2O)CC1 ZINC001236794764 1099790305 /nfs/dbraw/zinc/79/03/05/1099790305.db2.gz OGJVUUKFAGCKPA-UHFFFAOYSA-N 1 0 320.433 3.007 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001236797597 1099790890 /nfs/dbraw/zinc/79/08/90/1099790890.db2.gz HXOAOOPMRTVKQX-BDJLRTHQSA-N 1 0 311.809 3.055 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001236795557 1099791810 /nfs/dbraw/zinc/79/18/10/1099791810.db2.gz GPOHYPPRNRYZBC-GFCCVEGCSA-N 1 0 315.244 3.369 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(CO)CC2)c(Cl)c1 ZINC001236798889 1099793603 /nfs/dbraw/zinc/79/36/03/1099793603.db2.gz PXCKWGNBTOFYEY-INIZCTEOSA-N 1 0 313.825 3.039 20 10 DGCDRO COc1cc(O)c(CN2CCn3cccc3[C@H]2C)c(Cl)c1 ZINC001236802837 1099796894 /nfs/dbraw/zinc/79/68/94/1099796894.db2.gz KVDNUNJRLMDRFJ-LLVKDONJSA-N 1 0 306.793 3.433 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2ccccn2)c(Cl)c1 ZINC001236802389 1099797829 /nfs/dbraw/zinc/79/78/29/1099797829.db2.gz JEUYPLDGBTXDIL-UHFFFAOYSA-N 1 0 306.793 3.124 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccccc2OC)c(O)c1 ZINC001236812335 1099802928 /nfs/dbraw/zinc/80/29/28/1099802928.db2.gz CIPMLOHVFVVCOZ-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC(n3nccc3C)CC2)c(O)c1 ZINC001236816217 1099803105 /nfs/dbraw/zinc/80/31/05/1099803105.db2.gz QZDZPZMLXKIKRA-UHFFFAOYSA-N 1 0 315.417 3.051 20 10 DGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236830561 1099815628 /nfs/dbraw/zinc/81/56/28/1099815628.db2.gz BNNQJBNSVMLGJZ-LJQANCHMSA-N 1 0 313.397 3.321 20 10 DGCDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236835836 1099823222 /nfs/dbraw/zinc/82/32/22/1099823222.db2.gz VSCQWOOKIVLPFD-HFTRVMKXSA-N 1 0 311.381 3.071 20 10 DGCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(OCc2ccccc2)cc1O ZINC001236871001 1099842026 /nfs/dbraw/zinc/84/20/26/1099842026.db2.gz VRGPTYQNHFFLAB-KRWDZBQOSA-N 1 0 314.429 3.140 20 10 DGCDRO Clc1cc(N2CCOCC2)ccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001236928401 1099879234 /nfs/dbraw/zinc/87/92/34/1099879234.db2.gz LDXMHZOPOPXIDS-GJZGRUSLSA-N 1 0 320.864 3.409 20 10 DGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]21 ZINC001236921319 1099880497 /nfs/dbraw/zinc/88/04/97/1099880497.db2.gz CQJXGLNLLPGREP-IYBDPMFKSA-N 1 0 320.864 3.264 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962396 1099893003 /nfs/dbraw/zinc/89/30/03/1099893003.db2.gz XSSAESKQORGECT-UHFFFAOYSA-N 1 0 324.415 3.272 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](F)C1 ZINC001237056019 1099948123 /nfs/dbraw/zinc/94/81/23/1099948123.db2.gz JZBOIKUBIZQFJL-NSHDSACASA-N 1 0 307.287 3.267 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001237062473 1099953051 /nfs/dbraw/zinc/95/30/51/1099953051.db2.gz PAWROCBBQSPFRL-GXFFZTMASA-N 1 0 301.308 3.318 20 10 DGCDRO CCOCC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237130591 1099985802 /nfs/dbraw/zinc/98/58/02/1099985802.db2.gz OSCZOYZOXLMANT-UHFFFAOYSA-N 1 0 301.789 3.433 20 10 DGCDRO C[C@@]1(CF)CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237119322 1099979414 /nfs/dbraw/zinc/97/94/14/1099979414.db2.gz DXIYMXLEJBLCAC-ZDUSSCGKSA-N 1 0 307.287 3.472 20 10 DGCDRO CCOCCN(CCOCC)Cc1c(O)ccc(F)c1Cl ZINC001237126687 1099983749 /nfs/dbraw/zinc/98/37/49/1099983749.db2.gz OUWCJNJBTCMULJ-UHFFFAOYSA-N 1 0 319.804 3.060 20 10 DGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001237127780 1099983855 /nfs/dbraw/zinc/98/38/55/1099983855.db2.gz FLAZPPYNWWJJMO-GFCCVEGCSA-N 1 0 313.800 3.433 20 10 DGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001237124497 1099984910 /nfs/dbraw/zinc/98/49/10/1099984910.db2.gz MOWHFNROFHXRGJ-LBPRGKRZSA-N 1 0 322.767 3.233 20 10 DGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237139424 1099989126 /nfs/dbraw/zinc/98/91/26/1099989126.db2.gz FFBKKLHMRCYOEX-CYBMUJFWSA-N 1 0 303.324 3.412 20 10 DGCDRO CC(=O)[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141078 1099991827 /nfs/dbraw/zinc/99/18/27/1099991827.db2.gz UVJOOOCNIHGMSW-NSHDSACASA-N 1 0 301.308 3.212 20 10 DGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141505 1099991908 /nfs/dbraw/zinc/99/19/08/1099991908.db2.gz XUZFKALSFDAGTO-CQSZACIVSA-N 1 0 316.367 3.327 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)NCCc2ccccc23)c1 ZINC001237289223 1100063094 /nfs/dbraw/zinc/06/30/94/1100063094.db2.gz NXWMNSAOBVCCNF-UHFFFAOYSA-N 1 0 322.452 3.338 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC3(Cc4ccccc4N3)CC2)c1 ZINC001237334272 1100083167 /nfs/dbraw/zinc/08/31/67/1100083167.db2.gz QXLIOEFBQVHANW-UHFFFAOYSA-N 1 0 324.424 3.404 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001237480920 1100137452 /nfs/dbraw/zinc/13/74/52/1100137452.db2.gz BCSAJMWRCFROAY-CYBMUJFWSA-N 1 0 307.390 3.227 20 10 DGCDRO CCCc1noc([C@@H]2CCC[N@H+](Cc3c(C)cccc3O)C2)n1 ZINC001237488372 1100141379 /nfs/dbraw/zinc/14/13/79/1100141379.db2.gz VIAADYRJLIXLSE-CQSZACIVSA-N 1 0 315.417 3.416 20 10 DGCDRO COC(=O)c1ccc(C2C[NH+](Cc3c(C)cccc3O)C2)cc1 ZINC001237490735 1100143307 /nfs/dbraw/zinc/14/33/07/1100143307.db2.gz AHPBOUNLJYNQRH-UHFFFAOYSA-N 1 0 311.381 3.087 20 10 DGCDRO CC[N@H+](C)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237623104 1100192832 /nfs/dbraw/zinc/19/28/32/1100192832.db2.gz HSHKRRBHEJAODI-UHFFFAOYSA-N 1 0 300.805 3.101 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CC2(CC(O)C2)C1 ZINC001237640706 1100199982 /nfs/dbraw/zinc/19/99/82/1100199982.db2.gz FFEYKHLXLWLBBH-UHFFFAOYSA-N 1 0 313.372 3.155 20 10 DGCDRO C[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)C1(C)COC1 ZINC001237648076 1100201348 /nfs/dbraw/zinc/20/13/48/1100201348.db2.gz XKCAAPBCVSSEGZ-UHFFFAOYSA-N 1 0 301.361 3.419 20 10 DGCDRO COC(C[N@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1O)OC ZINC001237646582 1100202415 /nfs/dbraw/zinc/20/24/15/1100202415.db2.gz PPYXLPMKFMKHCL-UHFFFAOYSA-N 1 0 319.376 3.249 20 10 DGCDRO CC[N@@H+]1CCN(Cc2cc(F)c(Cl)cc2O)C(C)(C)C1 ZINC001237940685 1100299032 /nfs/dbraw/zinc/29/90/32/1100299032.db2.gz CFANYWMQSKXRHB-UHFFFAOYSA-N 1 0 300.805 3.101 20 10 DGCDRO [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001237949376 1100301518 /nfs/dbraw/zinc/30/15/18/1100301518.db2.gz KWEHJSNBXNVJRM-GFCCVEGCSA-N 1 0 313.800 3.433 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cccc(N3CCCCC3)n1)CC2 ZINC001238003373 1100321958 /nfs/dbraw/zinc/32/19/58/1100321958.db2.gz KCEWCUGYNJJBNQ-UHFFFAOYSA-N 1 0 323.440 3.336 20 10 DGCDRO Cc1cc(F)cc(C[NH+]2CCN(c3ccccc3)CC2)c1O ZINC001238057291 1100344836 /nfs/dbraw/zinc/34/48/36/1100344836.db2.gz KBDXRNKDKKVPMV-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO Cc1cc(F)cc(C[NH+]2CCC(Oc3cccnc3)CC2)c1O ZINC001238063516 1100347798 /nfs/dbraw/zinc/34/77/98/1100347798.db2.gz XQTXKXDMJDKGCK-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001205578499 1100567270 /nfs/dbraw/zinc/56/72/70/1100567270.db2.gz DFLVUKBSWHPDIA-CQSZACIVSA-N 1 0 320.330 3.064 20 10 DGCDRO CCC1(CC)[C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1OC ZINC001194090023 1100871892 /nfs/dbraw/zinc/87/18/92/1100871892.db2.gz CRZGKKDMVZPFOB-CVEARBPZSA-N 1 0 323.408 3.417 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)cccc1F)c1ccccc1O ZINC001197004715 1101454084 /nfs/dbraw/zinc/45/40/84/1101454084.db2.gz VBBPRCSMGRMUIS-MNOVXSKESA-N 1 0 320.339 3.348 20 10 DGCDRO COc1cccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)cc21 ZINC001242000122 1101849243 /nfs/dbraw/zinc/84/92/43/1101849243.db2.gz QWAJLLORZJJSHA-UHFFFAOYSA-N 1 0 307.397 3.253 20 10 DGCDRO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cccc(C)c2O)C1=O ZINC001273770260 1101955161 /nfs/dbraw/zinc/95/51/61/1101955161.db2.gz QWZGIBMOTWJSCB-HNAYVOBHSA-N 1 0 316.445 3.066 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001203939733 1102174911 /nfs/dbraw/zinc/17/49/11/1102174911.db2.gz UCHWNCFAQDBWDT-UHFFFAOYSA-N 1 0 303.494 3.449 20 10 DGCDRO CC(C)Nc1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001201489504 1102610462 /nfs/dbraw/zinc/61/04/62/1102610462.db2.gz QTDVYYMBCBDCAH-UHFFFAOYSA-N 1 0 312.417 3.482 20 10 DGCDRO CCC(CC)C[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001201534892 1102626173 /nfs/dbraw/zinc/62/61/73/1102626173.db2.gz CKUQMEFQDTXOKH-UHFFFAOYSA-N 1 0 320.477 3.270 20 10 DGCDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001201654368 1102687761 /nfs/dbraw/zinc/68/77/61/1102687761.db2.gz IFIFKPHBZBNPGC-CIISACIHSA-N 1 0 312.404 3.180 20 10 DGCDRO CCn1cnc(Cl)c1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001202065616 1102809016 /nfs/dbraw/zinc/80/90/16/1102809016.db2.gz AGRMTTNAZOEHNX-LBPRGKRZSA-N 1 0 306.841 3.473 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@]23CCOC3)c(C(F)(F)F)c1 ZINC001325473267 1103045246 /nfs/dbraw/zinc/04/52/46/1103045246.db2.gz DYTLXARTMCBRHE-OAHLLOKOSA-N 1 0 314.351 3.136 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](CCO)C1CCOCC1 ZINC001325506488 1103055840 /nfs/dbraw/zinc/05/58/40/1103055840.db2.gz PZNZITIEBGZUJG-VNQPRFMTSA-N 1 0 319.445 3.016 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCC(=O)N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001325582656 1103073665 /nfs/dbraw/zinc/07/36/65/1103073665.db2.gz SQRNKSLFHJZHPA-GFCCVEGCSA-N 1 0 324.852 3.092 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCC[C@H](F)C2)ccc1N1CCOCC1 ZINC001326190347 1103229125 /nfs/dbraw/zinc/22/91/25/1103229125.db2.gz WVXLBQUFAQZJNR-GJZGRUSLSA-N 1 0 310.388 3.033 20 10 DGCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2O)O1 ZINC000688864623 1103261312 /nfs/dbraw/zinc/26/13/12/1103261312.db2.gz HDFZQCCPRPKNRN-GXFFZTMASA-N 1 0 314.223 3.202 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC001326323747 1103271818 /nfs/dbraw/zinc/27/18/18/1103271818.db2.gz MTVJYZMTVVWSPF-LJQANCHMSA-N 1 0 300.446 3.288 20 10 DGCDRO CN(CC[NH+]1CCCCC1)Cc1ccc(N2CCCC2)cc1 ZINC001326428383 1103313521 /nfs/dbraw/zinc/31/35/21/1103313521.db2.gz SFPYFUHCIXHAQP-UHFFFAOYSA-N 1 0 301.478 3.205 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC2(CCC2)O1 ZINC001328505354 1103971363 /nfs/dbraw/zinc/97/13/63/1103971363.db2.gz ZNVLIUQNLXTXNK-MRXNPFEDSA-N 1 0 300.446 3.430 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCc2nc(C(C)C)no2)cc1Cl ZINC001328742878 1104050103 /nfs/dbraw/zinc/05/01/03/1104050103.db2.gz HKFFYDRXVYSRJT-UHFFFAOYSA-N 1 0 309.797 3.193 20 10 DGCDRO C[C@H]1C[C@@H](CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC001329009171 1104121924 /nfs/dbraw/zinc/12/19/24/1104121924.db2.gz PMNNEACBJWAEQD-STQMWFEESA-N 1 0 312.404 3.326 20 10 DGCDRO C[C@@H]1C[C@H](CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC001329009162 1104121985 /nfs/dbraw/zinc/12/19/85/1104121985.db2.gz PMNNEACBJWAEQD-CHWSQXEVSA-N 1 0 312.404 3.326 20 10 DGCDRO O=c1cc(-c2ccc3c[nH+]cn3c2)ccn1Cc1ccccc1 ZINC001245896438 1104293880 /nfs/dbraw/zinc/29/38/80/1104293880.db2.gz AHRIZFLNUFLVFL-UHFFFAOYSA-N 1 0 301.349 3.211 20 10 DGCDRO CC[C@@](C)(C[NH2+]Cc1ccc(Br)cc1O)OC ZINC000691393079 1104326955 /nfs/dbraw/zinc/32/69/55/1104326955.db2.gz QWZXHCAVTCJXEY-ZDUSSCGKSA-N 1 0 302.212 3.059 20 10 DGCDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000691392710 1104327209 /nfs/dbraw/zinc/32/72/09/1104327209.db2.gz QSZJXFGRSYFCSZ-SNVBAGLBSA-N 1 0 316.239 3.041 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC(C)(C)C)cc1C ZINC001274678791 1104452533 /nfs/dbraw/zinc/45/25/33/1104452533.db2.gz MBLFDJYAWVXCIH-CQSZACIVSA-N 1 0 306.450 3.034 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2N[C@@H]1CCCC[NH2+]C1 ZINC001246527814 1104580470 /nfs/dbraw/zinc/58/04/70/1104580470.db2.gz VOFKXTAWWKAUMD-RDTXWAMCSA-N 1 0 302.462 3.364 20 10 DGCDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001330652178 1104605325 /nfs/dbraw/zinc/60/53/25/1104605325.db2.gz KFWAZGONLZOJLF-QGZVFWFLSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001330713006 1104628587 /nfs/dbraw/zinc/62/85/87/1104628587.db2.gz GOQPARSXOGCLJC-RYUDHWBXSA-N 1 0 300.406 3.280 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001330713007 1104628623 /nfs/dbraw/zinc/62/86/23/1104628623.db2.gz GOQPARSXOGCLJC-VXGBXAGGSA-N 1 0 300.406 3.280 20 10 DGCDRO COCC1(CC[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC001330817779 1104654383 /nfs/dbraw/zinc/65/43/83/1104654383.db2.gz KHEZAAOECHUEBY-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO C[N@@H+]1CCC[C@]2(CCCN(Cc3c(O)cccc3Cl)C2)C1 ZINC001275217510 1104681077 /nfs/dbraw/zinc/68/10/77/1104681077.db2.gz RKYAVZNOBUILNL-KRWDZBQOSA-N 1 0 308.853 3.353 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001275270267 1104699511 /nfs/dbraw/zinc/69/95/11/1104699511.db2.gz ASVKPRBVXVXPKX-UHFFFAOYSA-N 1 0 306.837 3.106 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCC2(C)CC2)cc1C ZINC001275392221 1104745413 /nfs/dbraw/zinc/74/54/13/1104745413.db2.gz RSOUGKKEMBUFDV-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO c1ccc2c(c1)nc(-c1ccc(N3CC[NH2+]CC3)cc1)n2C1CC1 ZINC001247041266 1104783948 /nfs/dbraw/zinc/78/39/48/1104783948.db2.gz WCJNWKOMXHANSI-UHFFFAOYSA-N 1 0 318.424 3.448 20 10 DGCDRO Oc1ccc(F)cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001275913217 1104953471 /nfs/dbraw/zinc/95/34/71/1104953471.db2.gz KVCZSADFVMHASD-CALCHBBNSA-N 1 0 304.409 3.123 20 10 DGCDRO C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3O)C[C@H]2CC1 ZINC001276287112 1105076764 /nfs/dbraw/zinc/07/67/64/1105076764.db2.gz NAQMLOPFLAWPKL-IYBDPMFKSA-N 1 0 316.489 3.463 20 10 DGCDRO CC(C)Sc1nccc(C[N@H+](C)Cc2ccccc2O)n1 ZINC001248833276 1105174558 /nfs/dbraw/zinc/17/45/58/1105174558.db2.gz YGBQRNGCZGVPLJ-UHFFFAOYSA-N 1 0 303.431 3.315 20 10 DGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)cc1Cl ZINC001248879531 1105184536 /nfs/dbraw/zinc/18/45/36/1105184536.db2.gz AVSPABVBCSHVBR-ZFWWWQNUSA-N 1 0 315.816 3.248 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[N@@H+]3CC[C@@H]3C2)cc1Cl ZINC001248885513 1105187604 /nfs/dbraw/zinc/18/76/04/1105187604.db2.gz ZOULWGNAGQOEHK-CYBMUJFWSA-N 1 0 308.853 3.233 20 10 DGCDRO C[C@H]1C[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@H](C)O1 ZINC001249224469 1105250702 /nfs/dbraw/zinc/25/07/02/1105250702.db2.gz ZSRCMHGJVBSOJR-STQMWFEESA-N 1 0 303.402 3.186 20 10 DGCDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249244856 1105256650 /nfs/dbraw/zinc/25/66/50/1105256650.db2.gz OSLVTWJLHTYTHI-OAHLLOKOSA-N 1 0 316.445 3.102 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)[C@H](C)CO1 ZINC001249252782 1105257411 /nfs/dbraw/zinc/25/74/11/1105257411.db2.gz UQLHPBVTTMDQLO-CHWSQXEVSA-N 1 0 303.402 3.186 20 10 DGCDRO CC[C@H]1COCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252478 1105257609 /nfs/dbraw/zinc/25/76/09/1105257609.db2.gz LELWAAVBERQFHA-AWEZNQCLSA-N 1 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/nfs/dbraw/zinc/58/00/57/1105580057.db2.gz JPMIJCKITUUVQV-UHFFFAOYSA-N 1 0 311.385 3.016 20 10 DGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C(C)(C)C)C2)cc1C ZINC001100903869 1105864010 /nfs/dbraw/zinc/86/40/10/1105864010.db2.gz ZFFQXNORSRTJQS-UHFFFAOYSA-N 1 0 318.461 3.034 20 10 DGCDRO Oc1ccccc1C[NH2+][C@H]1Cc2ccc(Br)cc2C1 ZINC001254265758 1106046073 /nfs/dbraw/zinc/04/60/73/1106046073.db2.gz ZLTINWQEVQBZLG-HNNXBMFYSA-N 1 0 318.214 3.412 20 10 DGCDRO CCc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)[nH]1 ZINC001254728944 1106136365 /nfs/dbraw/zinc/13/63/65/1106136365.db2.gz AIJDFSPXADFSHV-WOPDTQHZSA-N 1 0 300.406 3.280 20 10 DGCDRO CCCC[C@@H](C)[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001255332284 1106224367 /nfs/dbraw/zinc/22/43/67/1106224367.db2.gz MJZXRYMAMJXXKX-QGZVFWFLSA-N 1 0 320.477 3.413 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001255354279 1106231110 /nfs/dbraw/zinc/23/11/10/1106231110.db2.gz SEYTWSLKOBIMPK-HZPDHXFCSA-N 1 0 305.418 3.215 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCCN(C)C1 ZINC001255479493 1106256483 /nfs/dbraw/zinc/25/64/83/1106256483.db2.gz IZPYTEHTBCINJC-KSSFIOAISA-N 1 0 302.462 3.316 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H]3CCOC(C)(C)C3)CC2)c(C)c1 ZINC001255550458 1106268679 /nfs/dbraw/zinc/26/86/79/1106268679.db2.gz APBRWQOFMAEGRI-INIZCTEOSA-N 1 0 318.461 3.083 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1CCN(C2CC2)CC1 ZINC001256082423 1106367319 /nfs/dbraw/zinc/36/73/19/1106367319.db2.gz ZYBNTOIZNWCYGW-UHFFFAOYSA-N 1 0 301.478 3.201 20 10 DGCDRO Oc1ccc(CC[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1O ZINC001256789252 1106483160 /nfs/dbraw/zinc/48/31/60/1106483160.db2.gz HCZDMTRUVMNQLX-LPHOPBHVSA-N 1 0 313.397 3.150 20 10 DGCDRO N[C@H](c1ccccc1O)[C@H]([NH2+]C1CCCC1)c1ccccc1O ZINC001257346225 1106571870 /nfs/dbraw/zinc/57/18/70/1106571870.db2.gz RKUGZDCWVFRBMO-RTBURBONSA-N 1 0 312.413 3.371 20 10 DGCDRO C[C@H](Cc1ccco1)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001258182067 1106689124 /nfs/dbraw/zinc/68/91/24/1106689124.db2.gz USYNRMDHPIGHNT-OAHLLOKOSA-N 1 0 314.429 3.170 20 10 DGCDRO CCOC(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001258475479 1106770254 /nfs/dbraw/zinc/77/02/54/1106770254.db2.gz GWVRGWOUQZOTFP-INIZCTEOSA-N 1 0 318.461 3.498 20 10 DGCDRO CCOC(=O)CC[C@H](C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001258496810 1106780939 /nfs/dbraw/zinc/78/09/39/1106780939.db2.gz VXNWXNYAOHMQSM-INIZCTEOSA-N 1 0 318.461 3.450 20 10 DGCDRO CCC[C@H](Cc1ccccc1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258652531 1106882481 /nfs/dbraw/zinc/88/24/81/1106882481.db2.gz XTXWWOFUURWUPR-MRXNPFEDSA-N 1 0 313.397 3.282 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(OCC(F)F)ccn1)c1ccccc1O ZINC001320137666 1106894818 /nfs/dbraw/zinc/89/48/18/1106894818.db2.gz YGHXFWGVKQUKLE-LLVKDONJSA-N 1 0 308.328 3.282 20 10 DGCDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)n1 ZINC001320161982 1106909931 /nfs/dbraw/zinc/90/99/31/1106909931.db2.gz UVJUBZZVALQOAB-INIZCTEOSA-N 1 0 315.392 3.311 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCc1cccc(C(N)=O)c1 ZINC001320419356 1107001743 /nfs/dbraw/zinc/00/17/43/1107001743.db2.gz DUBXTSMVOXATJS-XJKSGUPXSA-N 1 0 324.424 3.180 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)C(C)C)C2)cc1C ZINC001317120187 1107016232 /nfs/dbraw/zinc/01/62/32/1107016232.db2.gz CKXMZORVQFNUEE-BHYGNILZSA-N 1 0 318.461 3.033 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)cc1 ZINC001320577785 1107060345 /nfs/dbraw/zinc/06/03/45/1107060345.db2.gz QGIDPNFJCMCJNW-CQSZACIVSA-N 1 0 314.433 3.106 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C2(C)COC2)cc1 ZINC001474662270 1107226517 /nfs/dbraw/zinc/22/65/17/1107226517.db2.gz XHBVZKKPJZYVJN-UHFFFAOYSA-N 1 0 302.443 3.263 20 10 DGCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001321386460 1107338349 /nfs/dbraw/zinc/33/83/49/1107338349.db2.gz DYJWLKSEKAMYDH-CRAIPNDOSA-N 1 0 317.477 3.194 20 10 DGCDRO CCC(CC)(CCO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001261788830 1107529594 /nfs/dbraw/zinc/52/95/94/1107529594.db2.gz KOBPAZKYQAWYHR-UHFFFAOYSA-N 1 0 300.393 3.062 20 10 DGCDRO CCC(C)(C)CC(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317589293 1107555895 /nfs/dbraw/zinc/55/58/95/1107555895.db2.gz RKPSGTNCKGUNID-UHFFFAOYSA-N 1 0 320.477 3.378 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC001262031196 1107583751 /nfs/dbraw/zinc/58/37/51/1107583751.db2.gz KBYYXSBERFKECC-GOSISDBHSA-N 1 0 300.446 3.478 20 10 DGCDRO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC001262053090 1107595937 /nfs/dbraw/zinc/59/59/37/1107595937.db2.gz PLNAKBWNFYICDE-OAHLLOKOSA-N 1 0 315.335 3.034 20 10 DGCDRO CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323290838 1107920561 /nfs/dbraw/zinc/92/05/61/1107920561.db2.gz KFMRPYCOCLONBD-MRXNPFEDSA-N 1 0 319.468 3.200 20 10 DGCDRO CCC1(CO)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001323324429 1107937166 /nfs/dbraw/zinc/93/71/66/1107937166.db2.gz VIIULCIBAHBLRP-UHFFFAOYSA-N 1 0 302.462 3.271 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccc(N(C)C)n1 ZINC001323830031 1108098353 /nfs/dbraw/zinc/09/83/53/1108098353.db2.gz PAWIVVOFIHGLMD-DZGCQCFKSA-N 1 0 311.429 3.500 20 10 DGCDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001324976941 1108545332 /nfs/dbraw/zinc/54/53/32/1108545332.db2.gz UKMVBEDRTVUMKV-OCCSQVGLSA-N 1 0 316.367 3.429 20 10 DGCDRO C[N@H+](Cc1ccc(N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388625695 1108578158 /nfs/dbraw/zinc/57/81/58/1108578158.db2.gz OFSRFJOJTSWHIZ-FQEVSTJZSA-N 1 0 309.457 3.365 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CC[C@H](SC)C2)cc1OC ZINC001319798295 1108638510 /nfs/dbraw/zinc/63/85/10/1108638510.db2.gz GYOZZKCQPPTATP-STQMWFEESA-N 1 0 311.447 3.125 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC001319932828 1108700060 /nfs/dbraw/zinc/70/00/60/1108700060.db2.gz VKSOMTJNMBKGQZ-QGZVFWFLSA-N 1 0 300.446 3.288 20 10 DGCDRO CC[C@@H]1C[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266175178 1109115576 /nfs/dbraw/zinc/11/55/76/1109115576.db2.gz GBSLEKWHDHERLN-USXIJHARSA-N 1 0 318.461 3.034 20 10 DGCDRO CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001283946802 1109704348 /nfs/dbraw/zinc/70/43/48/1109704348.db2.gz PYNYYPWINAXVAZ-WBVHZDCISA-N 1 0 318.461 3.273 20 10 DGCDRO Cc1cc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)ccc1N(C)C ZINC001307827118 1111343341 /nfs/dbraw/zinc/34/33/41/1111343341.db2.gz ISVGCDGMFMJCHW-HNNXBMFYSA-N 1 0 320.477 3.471 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC001308145962 1111383922 /nfs/dbraw/zinc/38/39/22/1111383922.db2.gz RXTKQKOSMZJYAF-ZWKOTPCHSA-N 1 0 302.462 3.391 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1F ZINC001308333290 1111417573 /nfs/dbraw/zinc/41/75/73/1111417573.db2.gz MQFDAOLKYXJKRD-BMGDILEWSA-N 1 0 318.436 3.329 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)cc1C ZINC001308347900 1111419842 /nfs/dbraw/zinc/41/98/42/1111419842.db2.gz AJMBAQYRDIFGFK-MRXNPFEDSA-N 1 0 305.418 3.169 20 10 DGCDRO CCCN1CCC[C@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001308399940 1111425031 /nfs/dbraw/zinc/42/50/31/1111425031.db2.gz SGGRQACXFONBSI-XZXOBPBMSA-N 1 0 301.478 3.230 20 10 DGCDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001308764680 1111471593 /nfs/dbraw/zinc/47/15/93/1111471593.db2.gz CRLSDWWHAQBFFA-LBPRGKRZSA-N 1 0 318.383 3.364 20 10 DGCDRO COc1cc(C)c(C[NH2+]C2CCC(OC(F)F)CC2)c(O)c1 ZINC001308770139 1111472530 /nfs/dbraw/zinc/47/25/30/1111472530.db2.gz QWGNGUFUTSBZSF-UHFFFAOYSA-N 1 0 315.360 3.349 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC001308797963 1111476520 /nfs/dbraw/zinc/47/65/20/1111476520.db2.gz MQKLNIIILOCDNB-QFBILLFUSA-N 1 0 313.397 3.100 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C(C)C)ccc2O)c(OC)n1 ZINC001308804026 1111477213 /nfs/dbraw/zinc/47/72/13/1111477213.db2.gz YKJGUYIBHQXUFB-UHFFFAOYSA-N 1 0 316.401 3.218 20 10 DGCDRO CC[N@H+](C)[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000103190140 432004637 /nfs/dbraw/zinc/00/46/37/432004637.db2.gz KSVHBDZCNFPCTK-GOSISDBHSA-N 1 0 312.413 3.044 20 10 DGCDRO C[C@@H](c1ccco1)[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000092484152 185321726 /nfs/dbraw/zinc/32/17/26/185321726.db2.gz KWNVIETUHBXUJU-NSHDSACASA-N 1 0 301.342 3.440 20 10 DGCDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000092486451 185321524 /nfs/dbraw/zinc/32/15/24/185321524.db2.gz BMAMFFRUWVKJKP-KBXCAEBGSA-N 1 0 313.397 3.363 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)Cc1cc2c(cc1O)OCO2 ZINC000092705050 185333944 /nfs/dbraw/zinc/33/39/44/185333944.db2.gz OHBSJZGWADMLDX-UHFFFAOYSA-N 1 0 315.369 3.239 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CCCO)c1O ZINC000187294774 301070624 /nfs/dbraw/zinc/07/06/24/301070624.db2.gz YGYWWXQXXZPBTI-WDEREUQCSA-N 1 0 316.239 3.275 20 10 DGCDRO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179196247 432050106 /nfs/dbraw/zinc/05/01/06/432050106.db2.gz NFTBQXSZZOLUBB-MRXNPFEDSA-N 1 0 311.429 3.111 20 10 DGCDRO O=C(CCC1CCCC1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179556889 432061611 /nfs/dbraw/zinc/06/16/11/432061611.db2.gz MGONYDMNCOUBDS-UHFFFAOYSA-N 1 0 316.445 3.007 20 10 DGCDRO COCCOc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000091974630 193134932 /nfs/dbraw/zinc/13/49/32/193134932.db2.gz JZIVATSIADSVJI-UHFFFAOYSA-N 1 0 301.386 3.049 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000296446419 284305713 /nfs/dbraw/zinc/30/57/13/284305713.db2.gz MOKYPKUYWZRDCU-NHYWBVRUSA-N 1 0 312.841 3.199 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)cc1 ZINC000268742023 432129128 /nfs/dbraw/zinc/12/91/28/432129128.db2.gz DGDIIHNNSBBYHX-OAHLLOKOSA-N 1 0 312.461 3.455 20 10 DGCDRO COc1cccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1O ZINC000179804306 533474774 /nfs/dbraw/zinc/47/47/74/533474774.db2.gz DZYLZBZXEDQFKE-UHFFFAOYSA-N 1 0 311.381 3.396 20 10 DGCDRO COCC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000272510601 130036915 /nfs/dbraw/zinc/03/69/15/130036915.db2.gz HPGJZCKORLSMBQ-OAHLLOKOSA-N 1 0 306.381 3.352 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCCCC3)c(O)c1C ZINC000273363603 130111550 /nfs/dbraw/zinc/11/15/50/130111550.db2.gz DJRUMGLSNSMKQK-AWEZNQCLSA-N 1 0 314.433 3.178 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c(O)c1C ZINC000273411163 130118221 /nfs/dbraw/zinc/11/82/21/130118221.db2.gz PRAAEHSBJFXYMW-CVEARBPZSA-N 1 0 307.434 3.245 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c(O)c1C ZINC000273425153 130120765 /nfs/dbraw/zinc/12/07/65/130120765.db2.gz TZHSJEQHBZFMME-CYBMUJFWSA-N 1 0 313.401 3.350 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C ZINC000273481232 130126251 /nfs/dbraw/zinc/12/62/51/130126251.db2.gz MEDXDPZRCUYGGQ-UONOGXRCSA-N 1 0 304.434 3.059 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(Br)cc1O ZINC000273522850 130132739 /nfs/dbraw/zinc/13/27/39/130132739.db2.gz UQJAPYAGIBGWEF-JFGNBEQYSA-N 1 0 314.223 3.373 20 10 DGCDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273545437 130135401 /nfs/dbraw/zinc/13/54/01/130135401.db2.gz ZGSZOZNNZUTZMU-GHMZBOCLSA-N 1 0 316.239 3.214 20 10 DGCDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273596460 130141696 /nfs/dbraw/zinc/14/16/96/130141696.db2.gz QVLUVGGHOCANBF-MFKMUULPSA-N 1 0 316.239 3.212 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000273742790 130161117 /nfs/dbraw/zinc/16/11/17/130161117.db2.gz LZNNNLBFGIQPKJ-UONOGXRCSA-N 1 0 313.825 3.347 20 10 DGCDRO CC[C@H](CCO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279784207 130763193 /nfs/dbraw/zinc/76/31/93/130763193.db2.gz BCQVEQNMVCAPRW-GFCCVEGCSA-N 1 0 318.383 3.270 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCc2ccccn2)c(C(F)(F)F)c1 ZINC000280003551 130775414 /nfs/dbraw/zinc/77/54/14/130775414.db2.gz RZGVKRHJYKHZBR-UHFFFAOYSA-N 1 0 323.362 3.499 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1C ZINC000284098322 131048453 /nfs/dbraw/zinc/04/84/53/131048453.db2.gz RXNDBXYCFFUHIY-UHFFFAOYSA-N 1 0 308.328 3.290 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1O ZINC000284927532 131123841 /nfs/dbraw/zinc/12/38/41/131123841.db2.gz GTQSVGNZBHWHMR-KBPBESRZSA-N 1 0 311.809 3.198 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ncnn2-c2ccccc2)c(O)c1 ZINC000285159590 131143631 /nfs/dbraw/zinc/14/36/31/131143631.db2.gz MMPVVEXHFGHOKS-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000285181965 131145641 /nfs/dbraw/zinc/14/56/41/131145641.db2.gz QDSTZSRRLPOLOO-UHFFFAOYSA-N 1 0 305.418 3.184 20 10 DGCDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000285437975 131168412 /nfs/dbraw/zinc/16/84/12/131168412.db2.gz IDAWNISWEJMUSC-UHFFFAOYSA-N 1 0 314.385 3.472 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000287233680 131270297 /nfs/dbraw/zinc/27/02/97/131270297.db2.gz GWCUUHDGVVNWMG-OAHLLOKOSA-N 1 0 313.449 3.046 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2cccc(C)n2)c1 ZINC000287502880 131283086 /nfs/dbraw/zinc/28/30/86/131283086.db2.gz NUMKIVZCNRBOAC-AWEZNQCLSA-N 1 0 300.402 3.388 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289220299 131367103 /nfs/dbraw/zinc/36/71/03/131367103.db2.gz CLNQQGHMJJMSLD-CYBMUJFWSA-N 1 0 323.742 3.325 20 10 DGCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(OC)c1O)CC2 ZINC000289481583 131389466 /nfs/dbraw/zinc/38/94/66/131389466.db2.gz QOLYAUBGMNCEDF-INIZCTEOSA-N 1 0 313.397 3.057 20 10 DGCDRO COCC[N@H+](Cc1cccnc1)Cc1cc(C)c(C)cc1O ZINC000289496730 131390680 /nfs/dbraw/zinc/39/06/80/131390680.db2.gz SHJHEJZIPAYUHC-UHFFFAOYSA-N 1 0 300.402 3.053 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000295867356 131926117 /nfs/dbraw/zinc/92/61/17/131926117.db2.gz GYAXHPNXZIROKE-ZWKOTPCHSA-N 1 0 308.425 3.244 20 10 DGCDRO COc1ncc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1Cl ZINC000296589159 131974113 /nfs/dbraw/zinc/97/41/13/131974113.db2.gz UVXDOGPUKJOHIN-ZDUSSCGKSA-N 1 0 304.777 3.226 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc(N3CCOCC3)c1)CC2 ZINC000297368697 132012844 /nfs/dbraw/zinc/01/28/44/132012844.db2.gz QJMQHRDOXKCEFB-GOSISDBHSA-N 1 0 324.424 3.006 20 10 DGCDRO Cc1cc(C(=O)NCCCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000299301492 132097762 /nfs/dbraw/zinc/09/77/62/132097762.db2.gz BKYKOUXSYIKGLJ-UHFFFAOYSA-N 1 0 313.445 3.166 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2ccc(O)cc2)ccc1OC ZINC000299477819 132107605 /nfs/dbraw/zinc/10/76/05/132107605.db2.gz YHTRKPNWSCXLOO-UHFFFAOYSA-N 1 0 315.413 3.270 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(O)c1 ZINC000092073229 400153902 /nfs/dbraw/zinc/15/39/02/400153902.db2.gz RTRUQOYYWKWMAO-OAHLLOKOSA-N 1 0 315.417 3.284 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCCn2ccnc2C)cc1 ZINC000069753975 400341365 /nfs/dbraw/zinc/34/13/65/400341365.db2.gz VLJIFEWIALIWQR-UHFFFAOYSA-N 1 0 300.450 3.218 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3c(C)noc3C)CC2)cc1 ZINC000052466315 400733292 /nfs/dbraw/zinc/73/32/92/400733292.db2.gz ZAFFTSZBSXLMDH-UHFFFAOYSA-N 1 0 315.417 3.012 20 10 DGCDRO Cc1noc(CCC[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000269542647 432184405 /nfs/dbraw/zinc/18/44/05/432184405.db2.gz VPLDNTBBPMSVAB-UHFFFAOYSA-N 1 0 314.433 3.041 20 10 DGCDRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151033071 432213197 /nfs/dbraw/zinc/21/31/97/432213197.db2.gz GBHMJMCDIFIPHM-OLZOCXBDSA-N 1 0 312.454 3.064 20 10 DGCDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000164825135 228265252 /nfs/dbraw/zinc/26/52/52/228265252.db2.gz VRURDKLAPOYJPV-HNNXBMFYSA-N 1 0 312.369 3.161 20 10 DGCDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000182090181 228366666 /nfs/dbraw/zinc/36/66/66/228366666.db2.gz KRFNRGDKDVQHRG-CYBMUJFWSA-N 1 0 319.836 3.234 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC000271772669 274114837 /nfs/dbraw/zinc/11/48/37/274114837.db2.gz FOOPHSVIFGUZCU-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1ncc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1Cl ZINC000295092823 274169005 /nfs/dbraw/zinc/16/90/05/274169005.db2.gz TZYUWNLCAZGEOM-UHFFFAOYSA-N 1 0 323.799 3.239 20 10 DGCDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273545498 278221715 /nfs/dbraw/zinc/22/17/15/278221715.db2.gz ZHSJGCKUEKWUSO-MNOVXSKESA-N 1 0 324.222 3.091 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc2ccccc2c1O ZINC000181234559 278361799 /nfs/dbraw/zinc/36/17/99/278361799.db2.gz NJWFXNYZLJONKR-OLZOCXBDSA-N 1 0 314.429 3.499 20 10 DGCDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185114364 278993802 /nfs/dbraw/zinc/99/38/02/278993802.db2.gz WRIHNFFBDLEBPR-PWSUYJOCSA-N 1 0 316.239 3.212 20 10 DGCDRO CCC[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1O ZINC000076074081 431524535 /nfs/dbraw/zinc/52/45/35/431524535.db2.gz PQMMGMVILKVAPT-UHFFFAOYSA-N 1 0 313.357 3.447 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2CCCC23CCOCC3)ccc1N(C)C ZINC000282103855 280493351 /nfs/dbraw/zinc/49/33/51/280493351.db2.gz ISZMEEHURYKGLP-GOSISDBHSA-N 1 0 302.462 3.500 20 10 DGCDRO CCCCOCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000119633037 431712643 /nfs/dbraw/zinc/71/26/43/431712643.db2.gz HXOIDFPEBHDZHM-OAHLLOKOSA-N 1 0 324.440 3.130 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649129 431849930 /nfs/dbraw/zinc/84/99/30/431849930.db2.gz CHCWYTLDXHTHGT-JTQLQIEISA-N 1 0 315.244 3.273 20 10 DGCDRO CC[C@@H]([NH2+]C1CCOCC1)c1cc(Br)ccc1O ZINC000036319475 431838109 /nfs/dbraw/zinc/83/81/09/431838109.db2.gz NHFHCZUXUDVZMT-CYBMUJFWSA-N 1 0 314.223 3.374 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3cccnc3C)CC2)cc1 ZINC000092380834 431909050 /nfs/dbraw/zinc/90/90/50/431909050.db2.gz OZFAXPNOTHPMKQ-UHFFFAOYSA-N 1 0 311.429 3.111 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](COCCOC)C2)cc1 ZINC000093755618 431916848 /nfs/dbraw/zinc/91/68/48/431916848.db2.gz NUJGZAXMRDVCRT-SFHVURJKSA-N 1 0 320.477 3.018 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1O ZINC000183371503 432286778 /nfs/dbraw/zinc/28/67/78/432286778.db2.gz PBGGBFNWVPBAJG-GUYCJALGSA-N 1 0 302.393 3.485 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1O ZINC000183427887 432293652 /nfs/dbraw/zinc/29/36/52/432293652.db2.gz FGGOPNFHKAEDTG-OAHLLOKOSA-N 1 0 311.429 3.102 20 10 DGCDRO C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000183527616 432300597 /nfs/dbraw/zinc/30/05/97/432300597.db2.gz MDGMQPHCMHGIEY-SWLSCSKDSA-N 1 0 320.433 3.346 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1O ZINC000183515724 432300993 /nfs/dbraw/zinc/30/09/93/432300993.db2.gz CAGKSOVQFGEVSO-DZGCQCFKSA-N 1 0 310.397 3.128 20 10 DGCDRO CNC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271032877 432317671 /nfs/dbraw/zinc/31/76/71/432317671.db2.gz HXRJMQITDQQSAK-UHFFFAOYSA-N 1 0 324.424 3.017 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000192037204 432327693 /nfs/dbraw/zinc/32/76/93/432327693.db2.gz RLBVFEHPXAFUIE-KXBFYZLASA-N 1 0 313.397 3.268 20 10 DGCDRO Cc1noc(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000271088878 432328147 /nfs/dbraw/zinc/32/81/47/432328147.db2.gz FNSBPYCSUZLGCO-UHFFFAOYSA-N 1 0 307.781 3.117 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000271164526 432341693 /nfs/dbraw/zinc/34/16/93/432341693.db2.gz BUXKNNAMHSHYSG-UHFFFAOYSA-N 1 0 301.308 3.485 20 10 DGCDRO Cc1nc(CC[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000271173282 432343006 /nfs/dbraw/zinc/34/30/06/432343006.db2.gz MTMDPXRVZYNSMX-UHFFFAOYSA-N 1 0 314.433 3.043 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)cc1 ZINC000174529932 432353300 /nfs/dbraw/zinc/35/33/00/432353300.db2.gz DTTOPBWGCBYTGM-GOSISDBHSA-N 1 0 302.418 3.123 20 10 DGCDRO COC(C)(C)C[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000174555649 432356362 /nfs/dbraw/zinc/35/63/62/432356362.db2.gz PUEFKOSQBWPIFG-JTQLQIEISA-N 1 0 316.239 3.448 20 10 DGCDRO Oc1ccccc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000174647676 432361178 /nfs/dbraw/zinc/36/11/78/432361178.db2.gz SCFWBFVPQZJVIY-UHFFFAOYSA-N 1 0 301.361 3.327 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccccc1O ZINC000192916097 432428505 /nfs/dbraw/zinc/42/85/05/432428505.db2.gz TUFZVDSMJOJPJR-GOEBONIOSA-N 1 0 300.402 3.473 20 10 DGCDRO CNC(=O)CC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000272093666 432444087 /nfs/dbraw/zinc/44/40/87/432444087.db2.gz YLUFUWXVFINDCW-OAHLLOKOSA-N 1 0 312.413 3.092 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000184948110 432447954 /nfs/dbraw/zinc/44/79/54/432447954.db2.gz IOQGGPVYOUMVAS-GTNSWQLSSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](OCC(C)C)C2)c1O ZINC000184702860 432423665 /nfs/dbraw/zinc/42/36/65/432423665.db2.gz RGKADWCWVXHXCB-AWEZNQCLSA-N 1 0 313.825 3.301 20 10 DGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185155145 432471003 /nfs/dbraw/zinc/47/10/03/432471003.db2.gz OHRKERBNBXGFNW-KGLIPLIRSA-N 1 0 318.461 3.226 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185155196 432471777 /nfs/dbraw/zinc/47/17/77/432471777.db2.gz OHRKERBNBXGFNW-UONOGXRCSA-N 1 0 318.461 3.226 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1O ZINC000185291714 432487649 /nfs/dbraw/zinc/48/76/49/432487649.db2.gz GZCLXPIGDLUXTR-SNVBAGLBSA-N 1 0 320.330 3.209 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCOC3(CCC3)C2)c1O ZINC000154364745 432495240 /nfs/dbraw/zinc/49/52/40/432495240.db2.gz XBRAJYRPNDKULK-UHFFFAOYSA-N 1 0 309.793 3.003 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000185442612 432500465 /nfs/dbraw/zinc/50/04/65/432500465.db2.gz YSYQAWHYVZFTNH-ZIAGYGMSSA-N 1 0 320.433 3.361 20 10 DGCDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185511632 432506590 /nfs/dbraw/zinc/50/65/90/432506590.db2.gz UCYNBXSPWZZTNT-NVGCLXPQSA-N 1 0 309.475 3.034 20 10 DGCDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185520728 432506637 /nfs/dbraw/zinc/50/66/37/432506637.db2.gz CEUCTEXSVRSCHD-DCAQKATOSA-N 1 0 316.239 3.212 20 10 DGCDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185504230 432507053 /nfs/dbraw/zinc/50/70/53/432507053.db2.gz AJPYKYHAMYWIOL-ONGXEEELSA-N 1 0 302.212 3.230 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2c(C)noc2C)c1 ZINC000185501397 432507308 /nfs/dbraw/zinc/50/73/08/432507308.db2.gz ZITCUFHQNZPQAT-MNOVXSKESA-N 1 0 304.390 3.287 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1OC ZINC000185077217 432463442 /nfs/dbraw/zinc/46/34/42/432463442.db2.gz ZVOQEJFLOTZCAQ-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCc3sccc3C2)c(O)c1 ZINC000185105584 432466757 /nfs/dbraw/zinc/46/67/57/432466757.db2.gz ZEDMTVXXLVRQOR-AWEZNQCLSA-N 1 0 316.470 3.471 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)c2ccccc2)c1 ZINC000185101856 432466786 /nfs/dbraw/zinc/46/67/86/432466786.db2.gz JBWVEXFXVSRCKB-UGSOOPFHSA-N 1 0 301.386 3.439 20 10 DGCDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185114379 432469329 /nfs/dbraw/zinc/46/93/29/432469329.db2.gz WRIHNFFBDLEBPR-ZYHUDNBSSA-N 1 0 316.239 3.212 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)CC(C)C)CC1)c1ccccc1O ZINC000155418633 432554602 /nfs/dbraw/zinc/55/46/02/432554602.db2.gz KSXSBZFVHBZYSA-QGZVFWFLSA-N 1 0 318.461 3.470 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(O)c1 ZINC000186136701 432562027 /nfs/dbraw/zinc/56/20/27/432562027.db2.gz YHTOZPGJOFFGBG-GRDNDAEWSA-N 1 0 307.459 3.406 20 10 DGCDRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185827270 432537071 /nfs/dbraw/zinc/53/70/71/432537071.db2.gz OAIAEYVYEDYWBO-YVEFUNNKSA-N 1 0 319.376 3.314 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604902 432617877 /nfs/dbraw/zinc/61/78/77/432617877.db2.gz SZXDLRBZOVLKPJ-ZIAGYGMSSA-N 1 0 321.421 3.071 20 10 DGCDRO CCO[C@@H](C[NH2+]Cc1cc(OC)ccc1O)c1ccccc1 ZINC000195190224 432611404 /nfs/dbraw/zinc/61/14/04/432611404.db2.gz DEMSFAYXCPUBLT-SFHVURJKSA-N 1 0 301.386 3.268 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c(O)c1 ZINC000186189986 432567060 /nfs/dbraw/zinc/56/70/60/432567060.db2.gz OEWXSSDMQOSDGD-ACJLOTCBSA-N 1 0 303.377 3.398 20 10 DGCDRO CCCN(Cc1c[nH]nc1-c1cccnc1)c1ccc(C[NH3+])cc1 ZINC000194979284 432590458 /nfs/dbraw/zinc/59/04/58/432590458.db2.gz ACHREABDOWUCGZ-UHFFFAOYSA-N 1 0 321.428 3.347 20 10 DGCDRO CCCN(Cc1ccc(OC)c(O)c1)c1ccc(C[NH3+])cc1 ZINC000194979486 432591238 /nfs/dbraw/zinc/59/12/38/432591238.db2.gz XGFZLTJVTKMIPH-UHFFFAOYSA-N 1 0 300.402 3.276 20 10 DGCDRO COCCOCCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000273425853 432597392 /nfs/dbraw/zinc/59/73/92/432597392.db2.gz UBAOVAICGDBEJQ-CQSZACIVSA-N 1 0 303.402 3.249 20 10 DGCDRO Cn1cc([C@@H]([NH2+]Cc2ccccc2O)c2ccc(F)cc2)cn1 ZINC000187516961 432667367 /nfs/dbraw/zinc/66/73/67/432667367.db2.gz ZEQASQFNYHZOPU-SFHVURJKSA-N 1 0 311.360 3.144 20 10 DGCDRO COc1cc(O)c(C[NH2+]C2(Cc3ccccc3)CC2)cc1OC ZINC000187492853 432667760 /nfs/dbraw/zinc/66/77/60/432667760.db2.gz PESKZZOLMUSMCF-UHFFFAOYSA-N 1 0 313.397 3.274 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC2(N(C)C)CCCC2)c1O ZINC000228669955 432718375 /nfs/dbraw/zinc/71/83/75/432718375.db2.gz JLWLDABFRNMCKQ-UHFFFAOYSA-N 1 0 312.841 3.018 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCCS2)c1O ZINC000228676042 432719668 /nfs/dbraw/zinc/71/96/68/432719668.db2.gz MSCDJJXGLVTLIZ-CQSZACIVSA-N 1 0 301.839 3.430 20 10 DGCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178365466 432725791 /nfs/dbraw/zinc/72/57/91/432725791.db2.gz NKLWCKWTZOVSKP-QFBILLFUSA-N 1 0 320.477 3.115 20 10 DGCDRO CC(C)C[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236647294 432753820 /nfs/dbraw/zinc/75/38/20/432753820.db2.gz LAXIVYJIZPOPMB-SFHVURJKSA-N 1 0 317.477 3.009 20 10 DGCDRO CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccccc1O ZINC000276205180 432782657 /nfs/dbraw/zinc/78/26/57/432782657.db2.gz JXQOARKHVGZSPH-NSHDSACASA-N 1 0 309.303 3.350 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccc(F)cn1)C[C@@H]1CCCO1 ZINC000276198327 432782830 /nfs/dbraw/zinc/78/28/30/432782830.db2.gz JCVLUEPMWGHOLX-KRWDZBQOSA-N 1 0 316.376 3.108 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000277315842 432837539 /nfs/dbraw/zinc/83/75/39/432837539.db2.gz UWOHZAQQGNGKRN-OAHLLOKOSA-N 1 0 324.852 3.164 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCSc3ccccc31)OCO2 ZINC000238140508 432813142 /nfs/dbraw/zinc/81/31/42/432813142.db2.gz GUUVMUZUDIUGAI-ZDUSSCGKSA-N 1 0 315.394 3.448 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCN(c2ccccn2)CC1 ZINC000278130949 432886328 /nfs/dbraw/zinc/88/63/28/432886328.db2.gz CCRCSYUATDSIIV-UHFFFAOYSA-N 1 0 324.472 3.426 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)CC2 ZINC000296240651 432887559 /nfs/dbraw/zinc/88/75/59/432887559.db2.gz ATCKIEUGYGVTPQ-GDBMZVCRSA-N 1 0 303.789 3.356 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1C ZINC000278308860 432890790 /nfs/dbraw/zinc/89/07/90/432890790.db2.gz DZCURHBOQYNGRC-WFASDCNBSA-N 1 0 317.351 3.144 20 10 DGCDRO COC1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000278349670 432891500 /nfs/dbraw/zinc/89/15/00/432891500.db2.gz ILYCLIIQAKDDFV-UHFFFAOYSA-N 1 0 314.223 3.202 20 10 DGCDRO Cc1noc(C[C@@H]([NH2+]Cc2cccc(C)c2O)c2ccccc2)n1 ZINC000277364523 432842312 /nfs/dbraw/zinc/84/23/12/432842312.db2.gz FJIOWXIWTGYQFB-QGZVFWFLSA-N 1 0 323.396 3.466 20 10 DGCDRO CC[C@@H](C)c1nnc([C@H](C)NCc2ccc3c(c2)CCO3)[nH]1 ZINC000277457102 432850958 /nfs/dbraw/zinc/85/09/58/432850958.db2.gz QBZNKBCFLKRHBP-NEPJUHHUSA-N 1 0 300.406 3.104 20 10 DGCDRO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc2ccccc2c1O ZINC000296312889 432895275 /nfs/dbraw/zinc/89/52/75/432895275.db2.gz GKZFDUGOJDSFBP-NSHDSACASA-N 1 0 308.385 3.392 20 10 DGCDRO C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000296560263 432922209 /nfs/dbraw/zinc/92/22/09/432922209.db2.gz SFDGIULWMJIURP-GHMZBOCLSA-N 1 0 316.239 3.356 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCOc1ccc(Cl)cn1)CC2 ZINC000296916198 432939040 /nfs/dbraw/zinc/93/90/40/432939040.db2.gz PMGUTPXHAYUIJV-CYBMUJFWSA-N 1 0 304.777 3.097 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)[C@@H]1CCCO1 ZINC000278838944 432906772 /nfs/dbraw/zinc/90/67/72/432906772.db2.gz PKECFUCEGVMFMS-FMEYXAORSA-N 1 0 319.445 3.116 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(C)cc1O ZINC000280075814 433001963 /nfs/dbraw/zinc/00/19/63/433001963.db2.gz LKXARXHEJIOJJL-RDJZCZTQSA-N 1 0 311.429 3.415 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1ccc(C)cc1O ZINC000280048448 433002092 /nfs/dbraw/zinc/00/20/92/433002092.db2.gz JKUUSQJABUWPSY-PKOBYXMFSA-N 1 0 315.413 3.484 20 10 DGCDRO Cc1nnc(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000289938410 432979412 /nfs/dbraw/zinc/97/94/12/432979412.db2.gz VUZBIUQLUKBWNR-NSHDSACASA-N 1 0 317.458 3.324 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1ccc(C)cc1O ZINC000280048444 433002444 /nfs/dbraw/zinc/00/24/44/433002444.db2.gz JKUUSQJABUWPSY-HKUYNNGSSA-N 1 0 315.413 3.484 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H](C)N(CC)CC)ccc1OC ZINC000279718465 432991391 /nfs/dbraw/zinc/99/13/91/432991391.db2.gz UHTNCABRGTXBNF-OAHLLOKOSA-N 1 0 308.466 3.052 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(C)cc1O ZINC000280062210 433002553 /nfs/dbraw/zinc/00/25/53/433002553.db2.gz KMAJECFWZULCLQ-ZOBUZTSGSA-N 1 0 318.461 3.388 20 10 DGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000279994436 432999971 /nfs/dbraw/zinc/99/99/71/432999971.db2.gz FOVVDYARUMIVCV-OAHLLOKOSA-N 1 0 317.433 3.246 20 10 DGCDRO CC[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(C)cc1O ZINC000280151542 433006364 /nfs/dbraw/zinc/00/63/64/433006364.db2.gz QFTWDFZSIYGIBR-MRXNPFEDSA-N 1 0 304.434 3.048 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1 ZINC000290183271 433008599 /nfs/dbraw/zinc/00/85/99/433008599.db2.gz FMGAISKWEYJRAR-ZJNRKIDTSA-N 1 0 301.386 3.174 20 10 DGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000290196498 433009832 /nfs/dbraw/zinc/00/98/32/433009832.db2.gz OTKRFVYHYHAMON-KXUCPTDWSA-N 1 0 302.212 3.229 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccc(O)cc2)c1O ZINC000290527178 433078507 /nfs/dbraw/zinc/07/85/07/433078507.db2.gz QJCIXNBCIJENFY-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCSC2)c1O ZINC000280591729 433101414 /nfs/dbraw/zinc/10/14/14/433101414.db2.gz XORMHQOHTSZUJG-JTQLQIEISA-N 1 0 316.264 3.306 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCCCCO)c(C(F)(F)F)c1 ZINC000280614671 433106056 /nfs/dbraw/zinc/10/60/56/433106056.db2.gz PAGITCBPAUFPOI-UHFFFAOYSA-N 1 0 318.383 3.366 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1C ZINC000290819800 433177099 /nfs/dbraw/zinc/17/70/99/433177099.db2.gz GSMXLCJCWCYURR-HNNXBMFYSA-N 1 0 305.809 3.306 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291203731 433228430 /nfs/dbraw/zinc/22/84/30/433228430.db2.gz HVHIOEBIUVTPQX-GFCCVEGCSA-N 1 0 312.200 3.343 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000291542619 433263300 /nfs/dbraw/zinc/26/33/00/433263300.db2.gz LKLVJNYKPSCJCE-IAGOWNOFSA-N 1 0 305.418 3.180 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281139804 433265919 /nfs/dbraw/zinc/26/59/19/433265919.db2.gz OFIQQPTWKQKRQE-MRXNPFEDSA-N 1 0 324.424 3.186 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000291717046 433323207 /nfs/dbraw/zinc/32/32/07/433323207.db2.gz MDDDJBDNKJKCMO-OAHLLOKOSA-N 1 0 300.377 3.208 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000281253044 433274898 /nfs/dbraw/zinc/27/48/98/433274898.db2.gz MRBCGYNUEIKKFH-MRXNPFEDSA-N 1 0 315.417 3.252 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc([S@](C)=O)cc1 ZINC000296687924 290025759 /nfs/dbraw/zinc/02/57/59/290025759.db2.gz HABPPUIKYWXPSW-OLZZKDKNSA-N 1 0 315.438 3.468 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCCC(F)(F)C2)cc1OC ZINC000282312522 433563631 /nfs/dbraw/zinc/56/36/31/433563631.db2.gz HASIFFGLLQLWCW-NSHDSACASA-N 1 0 315.360 3.325 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@H](C)C1 ZINC000282371598 433585478 /nfs/dbraw/zinc/58/54/78/433585478.db2.gz QHTDCJBPYCYUML-ZWNOBZJWSA-N 1 0 314.223 3.154 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)cc1OC ZINC000292717196 433590778 /nfs/dbraw/zinc/59/07/78/433590778.db2.gz DUYCCGAQWKGFTB-KRWDZBQOSA-N 1 0 305.418 3.420 20 10 DGCDRO Cc1nc(C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)no1 ZINC000362237063 433595695 /nfs/dbraw/zinc/59/56/95/433595695.db2.gz ILAFWTNJIYRBRV-UHFFFAOYSA-N 1 0 321.808 3.425 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)CCCC[NH3+])c(C)n1-c1ccccc1 ZINC000292826446 433597551 /nfs/dbraw/zinc/59/75/51/433597551.db2.gz BGFPAEKXHXXWCL-AWEZNQCLSA-N 1 0 313.445 3.341 20 10 DGCDRO Oc1ccccc1C[N@H+](CCC1CCOCC1)C[C@H]1CCCO1 ZINC000292889873 433600962 /nfs/dbraw/zinc/60/09/62/433600962.db2.gz JCNCCUJFYGQMNE-GOSISDBHSA-N 1 0 319.445 3.190 20 10 DGCDRO CCCC[N@H+](Cc1cnc(N(C)C)nc1)Cc1ccccc1O ZINC000283145550 433676393 /nfs/dbraw/zinc/67/63/93/433676393.db2.gz XDGRTFZYEJTKIY-UHFFFAOYSA-N 1 0 314.433 3.051 20 10 DGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293667223 433824345 /nfs/dbraw/zinc/82/43/45/433824345.db2.gz QBZIJEITDBRIDE-ABAIWWIYSA-N 1 0 301.789 3.478 20 10 DGCDRO Cc1sccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000293585081 433790451 /nfs/dbraw/zinc/79/04/51/433790451.db2.gz NXWCKCJKJMOQDZ-UHFFFAOYSA-N 1 0 320.433 3.322 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1C ZINC000293702113 433833669 /nfs/dbraw/zinc/83/36/69/433833669.db2.gz RQDGCCAYOUMPTM-SFHVURJKSA-N 1 0 301.430 3.400 20 10 DGCDRO Cc1cc(C[NH+]2CCC(C3(C)OCCO3)CC2)ccc1N(C)C ZINC000293708496 433836424 /nfs/dbraw/zinc/83/64/24/433836424.db2.gz DLVPEOBQENVGEM-UHFFFAOYSA-N 1 0 318.461 3.036 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)cc1C ZINC000376938588 433839917 /nfs/dbraw/zinc/83/99/17/433839917.db2.gz ZVJWQRBKWFMJLV-FQEVSTJZSA-N 1 0 322.408 3.105 20 10 DGCDRO CC[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(C)cc1O ZINC000377580354 433919896 /nfs/dbraw/zinc/91/98/96/433919896.db2.gz BPLNGMKORGTFRJ-BXWFABGCSA-N 1 0 313.397 3.236 20 10 DGCDRO COCC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCOCC1 ZINC000294400761 434112376 /nfs/dbraw/zinc/11/23/76/434112376.db2.gz SLXKUSADJKTYQC-OAHLLOKOSA-N 1 0 307.434 3.103 20 10 DGCDRO COc1ncc(C[NH2+]Cc2cc(C)c(C)cc2O)cc1Cl ZINC000294932568 434154367 /nfs/dbraw/zinc/15/43/67/434154367.db2.gz GHXFURHWSCRQNN-UHFFFAOYSA-N 1 0 306.793 3.356 20 10 DGCDRO CCOC(=O)C1(C)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000378548246 434217398 /nfs/dbraw/zinc/21/73/98/434217398.db2.gz ZOTBVWJTLPBGBD-UHFFFAOYSA-N 1 0 311.809 3.211 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(F)cnc2Cl)c1 ZINC000295127819 434219994 /nfs/dbraw/zinc/21/99/94/434219994.db2.gz ODMJYTRDUZAPNX-UHFFFAOYSA-N 1 0 310.756 3.268 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000295135212 434224181 /nfs/dbraw/zinc/22/41/81/434224181.db2.gz PDGYTWSLFGMLRD-WDEREUQCSA-N 1 0 321.339 3.409 20 10 DGCDRO COCCOc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295986912 434464504 /nfs/dbraw/zinc/46/45/04/434464504.db2.gz NOPHAJKFHMOOJH-QGZVFWFLSA-N 1 0 313.397 3.195 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)CC2 ZINC000296138202 434521131 /nfs/dbraw/zinc/52/11/31/434521131.db2.gz WBJDCJHPYUPIAV-GOSISDBHSA-N 1 0 319.408 3.414 20 10 DGCDRO COc1ccc([C@@H]([NH2+]Cc2cccc(OC)c2O)C2CC2)cn1 ZINC000527842283 295138950 /nfs/dbraw/zinc/13/89/50/295138950.db2.gz WNNFLUCBXFFZJY-KRWDZBQOSA-N 1 0 314.385 3.045 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC12CCCCC2 ZINC000369326760 434593352 /nfs/dbraw/zinc/59/33/52/434593352.db2.gz KUSICYXDMQGGJG-UHFFFAOYSA-N 1 0 300.446 3.432 20 10 DGCDRO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cc(F)ccc1O ZINC000370373365 434610948 /nfs/dbraw/zinc/61/09/48/434610948.db2.gz JBCBKOOKPVNZDC-SJCJKPOMSA-N 1 0 300.377 3.369 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc2c(cc1O)CCCC2 ZINC000370397828 434611104 /nfs/dbraw/zinc/61/11/04/434611104.db2.gz OHHSYNIFKDYKCA-WBMJQRKESA-N 1 0 311.429 3.202 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cc(F)ccc1O ZINC000370373367 434612186 /nfs/dbraw/zinc/61/21/86/434612186.db2.gz JBCBKOOKPVNZDC-YVEFUNNKSA-N 1 0 300.377 3.369 20 10 DGCDRO COc1cccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1O ZINC000371672516 434735517 /nfs/dbraw/zinc/73/55/17/434735517.db2.gz UFFUGGYOZGPRMF-UHFFFAOYSA-N 1 0 321.808 3.088 20 10 DGCDRO COc1ccc(N(Cc2ccccc2)C(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000637893212 434901144 /nfs/dbraw/zinc/90/11/44/434901144.db2.gz QYYRJZAEPMBZND-QGZVFWFLSA-N 1 0 322.408 3.276 20 10 DGCDRO COCCC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000529637593 313244807 /nfs/dbraw/zinc/24/48/07/313244807.db2.gz GOQTZIXOAOVQFY-UHFFFAOYSA-N 1 0 313.825 3.303 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000360059572 337084702 /nfs/dbraw/zinc/08/47/02/337084702.db2.gz PQSWRTAUFULZML-HZPDHXFCSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1cccc([C@H](C[NH2+]Cc2cc(F)ccc2O)OC)c1 ZINC000529640723 340765973 /nfs/dbraw/zinc/76/59/73/340765973.db2.gz XOTKYYKEXBGCKP-KRWDZBQOSA-N 1 0 305.349 3.017 20 10 DGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000163470136 518839883 /nfs/dbraw/zinc/83/98/83/518839883.db2.gz BDHGJMAOXXKTBW-CABCVRRESA-N 1 0 320.433 3.318 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000268841397 520288180 /nfs/dbraw/zinc/28/81/80/520288180.db2.gz MWGPTFXGENPPLH-NNGSBXSVSA-N 1 0 317.477 3.241 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCC2)cc1 ZINC000163500606 520288430 /nfs/dbraw/zinc/28/84/30/520288430.db2.gz LCQDSSXMJNJOGJ-INIZCTEOSA-N 1 0 317.477 3.196 20 10 DGCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180020530 520659889 /nfs/dbraw/zinc/65/98/89/520659889.db2.gz MXECQFYRMNKPBQ-ZIAGYGMSSA-N 1 0 322.424 3.048 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000267203723 521373938 /nfs/dbraw/zinc/37/39/38/521373938.db2.gz PEKBVCDNJZYAGG-SJKOYZFVSA-N 1 0 319.376 3.142 20 10 DGCDRO CCSCC[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000180670832 521715253 /nfs/dbraw/zinc/71/52/53/521715253.db2.gz PNWKHMZQXDWBPR-LBPRGKRZSA-N 1 0 313.463 3.373 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](C)OC)c1cc(Br)ccc1O ZINC000191206477 522626373 /nfs/dbraw/zinc/62/63/73/522626373.db2.gz HKPPQDLQBBOIMT-CABZTGNLSA-N 1 0 302.212 3.230 20 10 DGCDRO COc1cc(O)c(C[NH2+]C2(c3ccccc3F)CC2)cc1OC ZINC000182400063 522776851 /nfs/dbraw/zinc/77/68/51/522776851.db2.gz BVQIUKKVNXNCBO-UHFFFAOYSA-N 1 0 317.360 3.327 20 10 DGCDRO CN(c1ccc(C[NH2+]Cc2cncn2C)cc1)C1CCCCC1 ZINC000237056224 523637288 /nfs/dbraw/zinc/63/72/88/523637288.db2.gz PYYRRHCLVRPYPA-UHFFFAOYSA-N 1 0 312.461 3.479 20 10 DGCDRO Cc1cccc(C[N@@H+](C)Cc2cc(Br)cn2C)c1O ZINC000180720516 524377359 /nfs/dbraw/zinc/37/73/59/524377359.db2.gz JHNFKDKVWLFLDJ-UHFFFAOYSA-N 1 0 323.234 3.434 20 10 DGCDRO Cc1cccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c1O ZINC000182187123 524433144 /nfs/dbraw/zinc/43/31/44/524433144.db2.gz FTDDJVXLBZYMFH-UHFFFAOYSA-N 1 0 324.424 3.160 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000191603466 524465735 /nfs/dbraw/zinc/46/57/35/524465735.db2.gz GLYHVAAXLANYKJ-BBRMVZONSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccccc3O)C2=O)cc1 ZINC000189092487 524473391 /nfs/dbraw/zinc/47/33/91/524473391.db2.gz SLRHPKGNINZSNN-YJBOKZPZSA-N 1 0 324.424 3.152 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)c1 ZINC000182462413 524767685 /nfs/dbraw/zinc/76/76/85/524767685.db2.gz BWUISWTVEQKKPI-CYBMUJFWSA-N 1 0 311.385 3.208 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(F)cc2)c1 ZINC000182460825 524768315 /nfs/dbraw/zinc/76/83/15/524768315.db2.gz GRIHIBXKRXSIHR-LBPRGKRZSA-N 1 0 305.349 3.270 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)c1 ZINC000188680936 524771111 /nfs/dbraw/zinc/77/11/11/524771111.db2.gz WZXCZZLFQOGMTB-SCLBCKFNSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(F)c2)c1 ZINC000182342205 524771246 /nfs/dbraw/zinc/77/12/46/524771246.db2.gz KWQCFDKPNLYTSN-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1C ZINC000182107706 525321681 /nfs/dbraw/zinc/32/16/81/525321681.db2.gz VVDVMTDZKVEYRT-HTAPYJJXSA-N 1 0 317.454 3.218 20 10 DGCDRO C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000130585055 525372794 /nfs/dbraw/zinc/37/27/94/525372794.db2.gz IFHHUCQXOUAPJL-HNNXBMFYSA-N 1 0 308.429 3.294 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccoc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178476870 525545571 /nfs/dbraw/zinc/54/55/71/525545571.db2.gz JBBLDJBADYWQBN-CYBMUJFWSA-N 1 0 304.365 3.106 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1O ZINC000186171167 525616150 /nfs/dbraw/zinc/61/61/50/525616150.db2.gz YDJCNRHQRAGTTN-JSGCOSHPSA-N 1 0 317.820 3.370 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc2c(cc1O)CCCC2 ZINC000188002200 525679066 /nfs/dbraw/zinc/67/90/66/525679066.db2.gz MAUXOPCQMKRLOT-LBTNJELSSA-N 1 0 303.446 3.473 20 10 DGCDRO COc1cccc(C[NH2+]C2CC(OCc3ccccc3)C2)c1O ZINC000364924797 526012101 /nfs/dbraw/zinc/01/21/01/526012101.db2.gz RDDPTGRCXAKREK-UHFFFAOYSA-N 1 0 313.397 3.238 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000129218268 526363361 /nfs/dbraw/zinc/36/33/61/526363361.db2.gz KMCIJSFRJILOGK-CQSZACIVSA-N 1 0 308.853 3.496 20 10 DGCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177975396 528034238 /nfs/dbraw/zinc/03/42/38/528034238.db2.gz ZTNCISLYCLBCNU-MRXNPFEDSA-N 1 0 317.477 3.023 20 10 DGCDRO CCCCOCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000132023618 528587789 /nfs/dbraw/zinc/58/77/89/528587789.db2.gz KUESFGCMXBCHOF-UHFFFAOYSA-N 1 0 320.477 3.460 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000285200497 535419073 /nfs/dbraw/zinc/41/90/73/535419073.db2.gz OBLKYHLAZNBLLT-HNNXBMFYSA-N 1 0 306.450 3.308 20 10 DGCDRO CN(C)C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000297470470 535955699 /nfs/dbraw/zinc/95/56/99/535955699.db2.gz YPFINBHKLJVGAA-SJORKVTESA-N 1 0 314.404 3.411 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc2c(cc1O)CCCC2 ZINC000186115436 546193255 /nfs/dbraw/zinc/19/32/55/546193255.db2.gz XLIHAZALWYOMBT-WBMJQRKESA-N 1 0 311.429 3.202 20 10 DGCDRO CCc1nnc(C[N@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000731845579 574560339 /nfs/dbraw/zinc/56/03/39/574560339.db2.gz DXFAMWOTVMQTKI-UHFFFAOYSA-N 1 0 301.390 3.282 20 10 DGCDRO CC[NH+](CC)[C@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731866517 574561097 /nfs/dbraw/zinc/56/10/97/574561097.db2.gz OJAJQMNFXNXUQP-OAHLLOKOSA-N 1 0 318.442 3.267 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000733165859 574600345 /nfs/dbraw/zinc/60/03/45/574600345.db2.gz MHBQNTTVCRGTHI-CQSZACIVSA-N 1 0 313.445 3.164 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1F ZINC000733325139 574615747 /nfs/dbraw/zinc/61/57/47/574615747.db2.gz ABCJUBZBQPUADB-KRWDZBQOSA-N 1 0 322.811 3.368 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000733324861 574616019 /nfs/dbraw/zinc/61/60/19/574616019.db2.gz HKOBBXPHIAMUTF-ZDUSSCGKSA-N 1 0 303.324 3.244 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000734636872 574671833 /nfs/dbraw/zinc/67/18/33/574671833.db2.gz CDRMNDFCKVLQFB-HXUWFJFHSA-N 1 0 310.441 3.498 20 10 DGCDRO CC(C)[N@H+](CCN1CCCCC1)Cc1ccc(N(C)C)cc1 ZINC000736943903 574811993 /nfs/dbraw/zinc/81/19/93/574811993.db2.gz DUFYTJQUPYSTDA-UHFFFAOYSA-N 1 0 303.494 3.449 20 10 DGCDRO CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCOC1 ZINC000738080541 574858582 /nfs/dbraw/zinc/85/85/82/574858582.db2.gz GQNIAIKBDIHEIC-ZDUSSCGKSA-N 1 0 307.434 3.254 20 10 DGCDRO O=C(/C=C/c1cccnc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000739650588 574909770 /nfs/dbraw/zinc/90/97/70/574909770.db2.gz WLDUPAGGPCWICS-ZHACJKMWSA-N 1 0 321.424 3.224 20 10 DGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(OCC2CC2)CC1 ZINC000743406165 575049636 /nfs/dbraw/zinc/04/96/36/575049636.db2.gz FYXAFZKCVPUDEF-UHFFFAOYSA-N 1 0 312.413 3.331 20 10 DGCDRO COCC[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850854 575932371 /nfs/dbraw/zinc/93/23/71/575932371.db2.gz GDBBCRGQYADUGV-CQSZACIVSA-N 1 0 321.421 3.100 20 10 DGCDRO Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3ccccc3O)C2=O)cc1 ZINC000744403363 575340050 /nfs/dbraw/zinc/34/00/50/575340050.db2.gz YNOXZRCUWNMMIF-SFHVURJKSA-N 1 0 324.424 3.328 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCCC(=O)OC(C)(C)C)cc1F ZINC000744449686 575343714 /nfs/dbraw/zinc/34/37/14/575343714.db2.gz BOICRKUNNZPIAB-UHFFFAOYSA-N 1 0 310.413 3.103 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000747100815 575496591 /nfs/dbraw/zinc/49/65/91/575496591.db2.gz VQPJNWQBAZMXIH-INIZCTEOSA-N 1 0 305.805 3.393 20 10 DGCDRO COC(=O)/C(C)=C/C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000748818217 575609840 /nfs/dbraw/zinc/60/98/40/575609840.db2.gz SDKPZNBJUDEAKC-SDNWHVSQSA-N 1 0 303.402 3.256 20 10 DGCDRO Cc1cnc(CN(C)c2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000749577368 575665705 /nfs/dbraw/zinc/66/57/05/575665705.db2.gz XAUHMJKBRTZIHI-UHFFFAOYSA-N 1 0 315.417 3.094 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1O ZINC000750837214 575754872 /nfs/dbraw/zinc/75/48/72/575754872.db2.gz IMZLEFNKDICVNY-SFHVURJKSA-N 1 0 321.392 3.127 20 10 DGCDRO CCC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccccc1O ZINC000750875750 575757078 /nfs/dbraw/zinc/75/70/78/575757078.db2.gz WOVCVRKWHALITP-DOTOQJQBSA-N 1 0 318.461 3.299 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000725844276 575927665 /nfs/dbraw/zinc/92/76/65/575927665.db2.gz QWZRZZRRUBNMIW-UHFFFAOYSA-N 1 0 304.777 3.294 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000725850789 575932431 /nfs/dbraw/zinc/93/24/31/575932431.db2.gz FQZQENCBLTXHSQ-UHFFFAOYSA-N 1 0 322.758 3.162 20 10 DGCDRO COCC1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCCCC1 ZINC000852772035 620647117 /nfs/dbraw/zinc/64/71/17/620647117.db2.gz FUXWHASYNXIEHX-UHFFFAOYSA-N 1 0 309.381 3.173 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000852790068 620649072 /nfs/dbraw/zinc/64/90/72/620649072.db2.gz NXMFKSWVJJMKJS-MRXNPFEDSA-N 1 0 324.424 3.043 20 10 DGCDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000852920533 620655646 /nfs/dbraw/zinc/65/56/46/620655646.db2.gz CQRIJLUFEYGKFL-LLVKDONJSA-N 1 0 319.836 3.085 20 10 DGCDRO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)Cc1ccccc1O ZINC000111235931 620685343 /nfs/dbraw/zinc/68/53/43/620685343.db2.gz OUVNTVASHQBXAA-GJZGRUSLSA-N 1 0 324.424 3.190 20 10 DGCDRO COc1cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c(O)cc1C ZINC000853583005 620712865 /nfs/dbraw/zinc/71/28/65/620712865.db2.gz NONMOLZUVXFULA-UHFFFAOYSA-N 1 0 317.429 3.100 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@@](C)(C(F)F)O1 ZINC000853631369 620717637 /nfs/dbraw/zinc/71/76/37/620717637.db2.gz VPOZQLRBGIWJED-DIFFPNOSSA-N 1 0 311.372 3.125 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@](C)(C(F)F)O1 ZINC000853631373 620717849 /nfs/dbraw/zinc/71/78/49/620717849.db2.gz VPOZQLRBGIWJED-PIGZYNQJSA-N 1 0 311.372 3.125 20 10 DGCDRO CCC[N@H+](Cc1ccc(OCCOC)o1)Cc1ccccc1O ZINC000891853049 617912226 /nfs/dbraw/zinc/91/22/26/617912226.db2.gz AFSUJSLZFSZJRZ-UHFFFAOYSA-N 1 0 319.401 3.423 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccccc1O ZINC000840867790 618035891 /nfs/dbraw/zinc/03/58/91/618035891.db2.gz WMALQZQONCOMSV-HNNXBMFYSA-N 1 0 319.426 3.037 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccccc2Cl)c(O)c1OC ZINC000892450339 618069562 /nfs/dbraw/zinc/06/95/62/618069562.db2.gz AMWFDDNVWICUOY-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO Cc1occc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000840879679 618078584 /nfs/dbraw/zinc/07/85/84/618078584.db2.gz GDKOICSHDXDAKJ-UHFFFAOYSA-N 1 0 302.443 3.431 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)c(O)c1 ZINC000840882033 618108998 /nfs/dbraw/zinc/10/89/98/618108998.db2.gz SEHREWHBQPPTDP-DZGCQCFKSA-N 1 0 303.377 3.266 20 10 DGCDRO COc1cc(C[NH2+]Cc2ccc(OC)c(OC)c2O)ccc1C ZINC000892696413 618141204 /nfs/dbraw/zinc/14/12/04/618141204.db2.gz IPJMOMRZAKVMSY-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000840892555 618150175 /nfs/dbraw/zinc/15/01/75/618150175.db2.gz AXKAGKIAYJKZLB-GJZGRUSLSA-N 1 0 300.450 3.076 20 10 DGCDRO Cc1nc(C[NH2+]Cc2ccc3c(c2)CCCN3C)sc1C ZINC000892734376 618150712 /nfs/dbraw/zinc/15/07/12/618150712.db2.gz YIMQQROOELKNPE-UHFFFAOYSA-N 1 0 301.459 3.432 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1cc(F)ccc1O ZINC000854221899 620785048 /nfs/dbraw/zinc/78/50/48/620785048.db2.gz BPUNCWHWGXFHRG-FDQGKXFDSA-N 1 0 314.404 3.328 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1cc(F)ccc1O ZINC000854221901 620785150 /nfs/dbraw/zinc/78/51/50/620785150.db2.gz BPUNCWHWGXFHRG-MZMPZRCHSA-N 1 0 314.404 3.328 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)c1 ZINC000854223751 620785699 /nfs/dbraw/zinc/78/56/99/620785699.db2.gz VMWWGEYSUCXEEK-KVSKMBFKSA-N 1 0 310.441 3.497 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1C ZINC000920181742 620789021 /nfs/dbraw/zinc/78/90/21/620789021.db2.gz CPBGOWIONNDAIE-QGZVFWFLSA-N 1 0 317.404 3.084 20 10 DGCDRO COc1ccc(CN[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000920182837 620789284 /nfs/dbraw/zinc/78/92/84/620789284.db2.gz ZOCPVMZPGRCLAU-HLLBOEOZSA-N 1 0 304.478 3.460 20 10 DGCDRO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000920258068 620792833 /nfs/dbraw/zinc/79/28/33/620792833.db2.gz GLCBVKLWUHFVEL-NXHRZFHOSA-N 1 0 316.445 3.059 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000894451133 618337205 /nfs/dbraw/zinc/33/72/05/618337205.db2.gz CKENCMFFIWUWSL-UHFFFAOYSA-N 1 0 311.381 3.088 20 10 DGCDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccn1 ZINC000892910481 618347611 /nfs/dbraw/zinc/34/76/11/618347611.db2.gz CXBLICSUAPPUPN-AWEZNQCLSA-N 1 0 316.401 3.435 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3C)c(O)c1OC ZINC000892919629 618351901 /nfs/dbraw/zinc/35/19/01/618351901.db2.gz BNTRQAIMSAVABX-MRXNPFEDSA-N 1 0 313.397 3.495 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000840895168 618356774 /nfs/dbraw/zinc/35/67/74/618356774.db2.gz WAHXZJCXNCKPCW-ZBFHGGJFSA-N 1 0 312.461 3.441 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cc(C)cc(C)c2)c(O)c1OC ZINC000892997926 618384373 /nfs/dbraw/zinc/38/43/73/618384373.db2.gz KERYMLQKQKNEGE-UHFFFAOYSA-N 1 0 315.413 3.359 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2ccccc2C)c(Cl)c1 ZINC000840896784 618404005 /nfs/dbraw/zinc/40/40/05/618404005.db2.gz NUVOVNJYHRDVIE-QGZVFWFLSA-N 1 0 305.805 3.486 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1O ZINC000840896612 618405004 /nfs/dbraw/zinc/40/50/04/618405004.db2.gz JIVRHIGSBZXXPD-DZGCQCFKSA-N 1 0 300.377 3.461 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000925077812 618421362 /nfs/dbraw/zinc/42/13/62/618421362.db2.gz CJYDBIAVDUHRNP-MJGOQNOKSA-N 1 0 302.462 3.356 20 10 DGCDRO COc1ccc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c(O)c1OC ZINC000893109931 618429201 /nfs/dbraw/zinc/42/92/01/618429201.db2.gz DTDLGTXBWSZQNK-OAHLLOKOSA-N 1 0 323.433 3.094 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1O ZINC000894902658 618495254 /nfs/dbraw/zinc/49/52/54/618495254.db2.gz KHVCWHWVVQFWAH-WBVHZDCISA-N 1 0 309.450 3.088 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2COC3(CCCC3)O2)c(Cl)c1 ZINC000840908182 618522050 /nfs/dbraw/zinc/52/20/50/618522050.db2.gz PIPRCNJKTVXHEG-LBPRGKRZSA-N 1 0 311.809 3.129 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c1O ZINC000895189199 618570098 /nfs/dbraw/zinc/57/00/98/618570098.db2.gz BNORRHZYDUFJOX-OAHLLOKOSA-N 1 0 305.418 3.291 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000840934336 618609854 /nfs/dbraw/zinc/60/98/54/618609854.db2.gz ONCHKZLDEVTQCZ-HNNXBMFYSA-N 1 0 311.429 3.178 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000840936598 618610507 /nfs/dbraw/zinc/61/05/07/618610507.db2.gz MBGKORSNFCWNBU-IBGZPJMESA-N 1 0 302.462 3.452 20 10 DGCDRO CC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@H](C)[S@@]1=O ZINC000840948267 618620764 /nfs/dbraw/zinc/62/07/64/618620764.db2.gz NKFWKVFMQUHATD-ZBUHCNDUSA-N 1 0 315.866 3.085 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000894047339 618699190 /nfs/dbraw/zinc/69/91/90/618699190.db2.gz SVNRDXMEXGNEJN-NTZUZEMLSA-N 1 0 300.446 3.175 20 10 DGCDRO COc1ccnc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000924869215 618712099 /nfs/dbraw/zinc/71/20/99/618712099.db2.gz GCOKMECZTGQJMV-CQSZACIVSA-N 1 0 311.429 3.323 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cn(C)nc2C2CCCC2)c(O)c1 ZINC000894186765 618725826 /nfs/dbraw/zinc/72/58/26/618725826.db2.gz YPMUXSRVJNFOAU-UHFFFAOYSA-N 1 0 315.417 3.082 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2COc3ccccc3C2)c(O)c1 ZINC000894186488 618725887 /nfs/dbraw/zinc/72/58/87/618725887.db2.gz XEKAFJHRQHXCHA-CZUORRHYSA-N 1 0 313.397 3.130 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cn1 ZINC000894186078 618726060 /nfs/dbraw/zinc/72/60/60/618726060.db2.gz HSBMRVDXXYJKIT-UHFFFAOYSA-N 1 0 316.401 3.183 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCOc3ccccc32)c1O ZINC000894251569 618739808 /nfs/dbraw/zinc/73/98/08/618739808.db2.gz VZBPRNRCTLOBRP-AWEZNQCLSA-N 1 0 313.397 3.365 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000894325515 618764895 /nfs/dbraw/zinc/76/48/95/618764895.db2.gz JGPWIGUISQQZJC-SJKOYZFVSA-N 1 0 319.376 3.060 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccc(C)o1 ZINC000894330270 618765568 /nfs/dbraw/zinc/76/55/68/618765568.db2.gz WMVLVFSBUKVDRH-AWEZNQCLSA-N 1 0 305.374 3.088 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCc2ccc(Cl)nc2)c1O ZINC000894330952 618765601 /nfs/dbraw/zinc/76/56/01/618765601.db2.gz ZNQGTBBMHFBCIV-UHFFFAOYSA-N 1 0 306.793 3.090 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c1O ZINC000895391259 618778014 /nfs/dbraw/zinc/77/80/14/618778014.db2.gz WIXBJPFYFNLEBR-QGZVFWFLSA-N 1 0 318.461 3.206 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000895413455 618781133 /nfs/dbraw/zinc/78/11/33/618781133.db2.gz DSHXXLPAOLHZHA-GFCCVEGCSA-N 1 0 305.324 3.366 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CC(CC2CCOCC2)C1 ZINC000895615295 618807198 /nfs/dbraw/zinc/80/71/98/618807198.db2.gz LTIUZKSWVRVBFC-UHFFFAOYSA-N 1 0 302.462 3.310 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(O)ccc2Cl)c1O ZINC000895632515 618809608 /nfs/dbraw/zinc/80/96/08/618809608.db2.gz DGUYQJHUDWDZAH-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H]1CCCOC1 ZINC000895665029 618814110 /nfs/dbraw/zinc/81/41/10/618814110.db2.gz WZMFCAIATWSUJE-SMDDNHRTSA-N 1 0 313.825 3.349 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(C(=O)OC(C)C)CC2)c1O ZINC000895827233 618834007 /nfs/dbraw/zinc/83/40/07/618834007.db2.gz IARYFLGVMPMXDP-UHFFFAOYSA-N 1 0 305.418 3.118 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1O ZINC000895823273 618836549 /nfs/dbraw/zinc/83/65/49/618836549.db2.gz ZAVIUZGRQWCSMA-MCPREKNCSA-N 1 0 319.445 3.017 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC000895835824 618840220 /nfs/dbraw/zinc/84/02/20/618840220.db2.gz FSHOHMZLKLMFGS-CYBMUJFWSA-N 1 0 323.742 3.101 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCc3c2cccc3F)cc1OC ZINC000895853841 618842466 /nfs/dbraw/zinc/84/24/66/618842466.db2.gz IJCVTUZIMVQSCF-OAHLLOKOSA-N 1 0 317.360 3.326 20 10 DGCDRO COC1(OC)CC2(C[N@H+](Cc3c(C)cccc3O)[C@H]2C(C)C)C1 ZINC000895987407 618857764 /nfs/dbraw/zinc/85/77/64/618857764.db2.gz DZJXOKWCRZFNSD-KRWDZBQOSA-N 1 0 319.445 3.310 20 10 DGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c(O)c1 ZINC000896218338 618888019 /nfs/dbraw/zinc/88/80/19/618888019.db2.gz XHPMFHXHKGNMJF-QUCCMNQESA-N 1 0 309.409 3.101 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000896227827 618888996 /nfs/dbraw/zinc/88/89/96/618888996.db2.gz PCNOZMVYBZOQFP-CYBMUJFWSA-N 1 0 319.298 3.267 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896229056 618889043 /nfs/dbraw/zinc/88/90/43/618889043.db2.gz YVCOLYQKMVAGJT-GFCCVEGCSA-N 1 0 307.262 3.398 20 10 DGCDRO Cc1ccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c(O)c1 ZINC000896808045 618961886 /nfs/dbraw/zinc/96/18/86/618961886.db2.gz BHKPEGADKVPNDO-JSGCOSHPSA-N 1 0 303.324 3.290 20 10 DGCDRO Cc1cccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c1O ZINC000896812378 618962987 /nfs/dbraw/zinc/96/29/87/618962987.db2.gz UMKMCSSQWLNPJP-QWHCGFSZSA-N 1 0 303.324 3.290 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000896820761 618964932 /nfs/dbraw/zinc/96/49/32/618964932.db2.gz BIODCTUUFFAHPO-RISCZKNCSA-N 1 0 303.324 3.290 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000896821123 618964941 /nfs/dbraw/zinc/96/49/41/618964941.db2.gz FDQRTIYSHIKNDY-AAEUAGOBSA-N 1 0 307.287 3.121 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000896824010 618965326 /nfs/dbraw/zinc/96/53/26/618965326.db2.gz RAJVPERWBGJDOL-GXTWGEPZSA-N 1 0 303.324 3.290 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1O ZINC000896831740 618967100 /nfs/dbraw/zinc/96/71/00/618967100.db2.gz ASCGWHMTQNQXBY-AWEZNQCLSA-N 1 0 316.367 3.071 20 10 DGCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cccc(C)c3O)C2)n1 ZINC000897042998 619007491 /nfs/dbraw/zinc/00/74/91/619007491.db2.gz JCANXNSVYNZCAV-GXTWGEPZSA-N 1 0 301.390 3.072 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1O ZINC000897081087 619012483 /nfs/dbraw/zinc/01/24/83/619012483.db2.gz JKRFXSJSIIGZBQ-WMLDXEAASA-N 1 0 305.418 3.004 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccc3c2OCC3)c1O ZINC000897207249 619028979 /nfs/dbraw/zinc/02/89/79/619028979.db2.gz ZCYJUHNINXIKOX-UHFFFAOYSA-N 1 0 319.788 3.279 20 10 DGCDRO CCc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000121307482 619048026 /nfs/dbraw/zinc/04/80/26/619048026.db2.gz IINMJDSLSNEKAT-UHFFFAOYSA-N 1 0 314.429 3.311 20 10 DGCDRO FC(F)(F)c1cc(C[NH2+]CCCSc2nccs2)[nH]n1 ZINC000799336222 619106867 /nfs/dbraw/zinc/10/68/67/619106867.db2.gz KAUISXOPZRAVRM-UHFFFAOYSA-N 1 0 322.381 3.157 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2(C)CCC3(CC2)OCCO3)cc1 ZINC000897720464 619175117 /nfs/dbraw/zinc/17/51/17/619175117.db2.gz SFGIQPWHMPFQIW-UHFFFAOYSA-N 1 0 318.461 3.166 20 10 DGCDRO Cc1cccc(C[NH2+]CC2(C)CCC3(CC2)OCCO3)c1O ZINC000897719230 619176368 /nfs/dbraw/zinc/17/63/68/619176368.db2.gz MKNHXTHSXYJCPL-UHFFFAOYSA-N 1 0 305.418 3.114 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)c1 ZINC000786953128 619190153 /nfs/dbraw/zinc/19/01/53/619190153.db2.gz KRZPGHBSQSGUOL-TVQRCGJNSA-N 1 0 307.312 3.019 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000897955232 619198620 /nfs/dbraw/zinc/19/86/20/619198620.db2.gz RIANGRZEAJCZDS-MDASCCDHSA-N 1 0 300.446 3.442 20 10 DGCDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(Br)cc1O ZINC000897967254 619200026 /nfs/dbraw/zinc/20/00/26/619200026.db2.gz MAHTWOYGVHUKND-NSHDSACASA-N 1 0 321.218 3.271 20 10 DGCDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(OC)c(C)c1)CCO2 ZINC000897978819 619202536 /nfs/dbraw/zinc/20/25/36/619202536.db2.gz SVAYHSFWTSCRRN-MSOLQXFVSA-N 1 0 305.418 3.169 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cc1C ZINC000898021575 619206914 /nfs/dbraw/zinc/20/69/14/619206914.db2.gz LVLFPFSUGDVXCR-UHFFFAOYSA-N 1 0 313.323 3.051 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c(O)c1 ZINC000898071489 619212833 /nfs/dbraw/zinc/21/28/33/619212833.db2.gz LXUHOVRLAJXBBR-ZDUSSCGKSA-N 1 0 318.442 3.312 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000898167485 619219754 /nfs/dbraw/zinc/21/97/54/619219754.db2.gz GVXKTBMFGVMVRY-HNNXBMFYSA-N 1 0 309.413 3.080 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000898179993 619223244 /nfs/dbraw/zinc/22/32/44/619223244.db2.gz QYXQIDRGGABGFT-CYBMUJFWSA-N 1 0 315.417 3.248 20 10 DGCDRO COc1ccc(C[NH2+]CC2(OC)CCCCCC2)c(O)c1OC ZINC000898259839 619229708 /nfs/dbraw/zinc/22/97/08/619229708.db2.gz SMTWAXZUJCQNBX-UHFFFAOYSA-N 1 0 323.433 3.238 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2c(C)nc3ccccn32)c(O)c1 ZINC000898276791 619231654 /nfs/dbraw/zinc/23/16/54/619231654.db2.gz SRGNMKRGIGNRJN-UHFFFAOYSA-N 1 0 311.385 3.037 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2c(C)nc3ccccn32)c1 ZINC000898276631 619231661 /nfs/dbraw/zinc/23/16/61/619231661.db2.gz RPACFMCUGWETFZ-UHFFFAOYSA-N 1 0 311.385 3.037 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c(O)c1 ZINC000926959034 619252521 /nfs/dbraw/zinc/25/25/21/619252521.db2.gz AINKUILQSXSWPW-SMDDNHRTSA-N 1 0 304.356 3.234 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CC3(C2)OCCO3)c1O ZINC000927001929 619256014 /nfs/dbraw/zinc/25/60/14/619256014.db2.gz QQYBRAMNQRSLMT-NSHDSACASA-N 1 0 311.809 3.158 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3ccccc3O)C2)n1 ZINC000927050916 619260459 /nfs/dbraw/zinc/26/04/59/619260459.db2.gz VSGSEMHXCOOTQY-YNEHKIRRSA-N 1 0 301.390 3.325 20 10 DGCDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000927097490 619265122 /nfs/dbraw/zinc/26/51/22/619265122.db2.gz QSGZVNIGIJLHBM-FUHWJXTLSA-N 1 0 320.477 3.092 20 10 DGCDRO COC[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000927097489 619265176 /nfs/dbraw/zinc/26/51/76/619265176.db2.gz QSGZVNIGIJLHBM-AEFFLSMTSA-N 1 0 320.477 3.092 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C/C=C\Cl)c1O ZINC000898435581 619275736 /nfs/dbraw/zinc/27/57/36/619275736.db2.gz JMFBVRYWOSWKJZ-IHWYPQMZSA-N 1 0 306.587 3.005 20 10 DGCDRO C[C@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2N)c2c1c(F)ccc2O ZINC000902437014 619635660 /nfs/dbraw/zinc/63/56/60/619635660.db2.gz GHLKTPQPWANSFV-VGQSVSGKSA-N 1 0 312.388 3.294 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3nccs3)C1)CCC2 ZINC000902646345 619660994 /nfs/dbraw/zinc/66/09/94/619660994.db2.gz LELLLSRDRJWOGL-ZDUSSCGKSA-N 1 0 314.454 3.402 20 10 DGCDRO CC[C@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1ccc(N(C)C)cc1 ZINC000903062826 619708665 /nfs/dbraw/zinc/70/86/65/619708665.db2.gz XPEPAWJOHXAIOO-DLBZAZTESA-N 1 0 315.465 3.319 20 10 DGCDRO CC[C@@H]([NH2+][C@H](c1nncn1C)C(C)C)c1ccc(N(C)C)cc1 ZINC000903062829 619708794 /nfs/dbraw/zinc/70/87/94/619708794.db2.gz XPEPAWJOHXAIOO-SJORKVTESA-N 1 0 315.465 3.319 20 10 DGCDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1nncn1C ZINC000903064509 619709266 /nfs/dbraw/zinc/70/92/66/619709266.db2.gz MZOLXSZXTZRGEO-QMTHXVAHSA-N 1 0 308.813 3.222 20 10 DGCDRO CCO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000903047981 619710321 /nfs/dbraw/zinc/71/03/21/619710321.db2.gz VGLKTBFORCFLLY-GPMSIDNRSA-N 1 0 318.461 3.211 20 10 DGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000903128587 619722962 /nfs/dbraw/zinc/72/29/62/619722962.db2.gz CUCKCOQJGIPFMI-SRRSOLGSSA-N 1 0 307.365 3.011 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1O ZINC000903179553 619730963 /nfs/dbraw/zinc/73/09/63/619730963.db2.gz QHACUBDEGYBBHV-FWDPORAESA-N 1 0 307.287 3.292 20 10 DGCDRO CCN(C(=O)C[NH2+][C@H](C)c1ccc(C)cc1O)c1ccccc1 ZINC000903197667 619734460 /nfs/dbraw/zinc/73/44/60/619734460.db2.gz SIRJIJMVEQYNOX-OAHLLOKOSA-N 1 0 312.413 3.404 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c(O)c1C ZINC000903272490 619750186 /nfs/dbraw/zinc/75/01/86/619750186.db2.gz UYLOVKYGPWXETF-UAGQMJEPSA-N 1 0 320.502 3.239 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000903303378 619754090 /nfs/dbraw/zinc/75/40/90/619754090.db2.gz QBCJQYWRZVCZQD-FRQCXROJSA-N 1 0 301.478 3.420 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(F)c2)c(O)c1 ZINC000903310764 619757274 /nfs/dbraw/zinc/75/72/74/619757274.db2.gz QQEPNFJKKGSGND-ACJLOTCBSA-N 1 0 303.377 3.398 20 10 DGCDRO CO[C@]1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCSC1 ZINC000903314739 619758273 /nfs/dbraw/zinc/75/82/73/619758273.db2.gz PFCQFSMYCOVKDN-XAGWURHQSA-N 1 0 311.422 3.191 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C2CC3(C2)COC(C)(C)C3)c1O ZINC000903326455 619761763 /nfs/dbraw/zinc/76/17/63/619761763.db2.gz QFCSUOGRWMKVAE-WHENESEISA-N 1 0 305.418 3.399 20 10 DGCDRO CC(C)O[C@@]1(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)CCOC1 ZINC000903358746 619765033 /nfs/dbraw/zinc/76/50/33/619765033.db2.gz YWLUHNFIYBCSIJ-BLLLJJGKSA-N 1 0 313.825 3.280 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)N[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000903378467 619768415 /nfs/dbraw/zinc/76/84/15/619768415.db2.gz CJPAQOLGAMFNJI-CRAIPNDOSA-N 1 0 313.445 3.439 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(C)cc1O ZINC000903389496 619770516 /nfs/dbraw/zinc/77/05/16/619770516.db2.gz LZOMCCUCHAFSSC-WBVHZDCISA-N 1 0 305.418 3.079 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cncs1 ZINC000903448421 619778492 /nfs/dbraw/zinc/77/84/92/619778492.db2.gz PBCDBRIQPWCAFZ-XJKSGUPXSA-N 1 0 318.490 3.163 20 10 DGCDRO Cc1cc(C)cc(NC(=S)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000905616597 620013217 /nfs/dbraw/zinc/01/32/17/620013217.db2.gz GUMFCBJCPCJFBM-UHFFFAOYSA-N 1 0 314.458 3.251 20 10 DGCDRO Cn1nccc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000905734053 620023929 /nfs/dbraw/zinc/02/39/29/620023929.db2.gz BDEIKDFEPBDPOD-GOSISDBHSA-N 1 0 311.429 3.342 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1F ZINC000151408860 620444473 /nfs/dbraw/zinc/44/44/73/620444473.db2.gz UPGDPEKIDRKENL-KOMQPUFPSA-N 1 0 308.441 3.313 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)CCOc2ccc(F)cc2)c1O ZINC000153398321 620558827 /nfs/dbraw/zinc/55/88/27/620558827.db2.gz FSCGSXYZRQXYPG-UHFFFAOYSA-N 1 0 319.376 3.359 20 10 DGCDRO CN(C)C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921506172 620877248 /nfs/dbraw/zinc/87/72/48/620877248.db2.gz NSFIHLJZNWMFJS-LJQANCHMSA-N 1 0 310.441 3.404 20 10 DGCDRO CC(C)[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)c1ccnn1C ZINC000788076388 620898042 /nfs/dbraw/zinc/89/80/42/620898042.db2.gz MVUXKQFETALFPC-KRWDZBQOSA-N 1 0 300.450 3.016 20 10 DGCDRO CCNC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921573483 620910785 /nfs/dbraw/zinc/91/07/85/620910785.db2.gz UAZJENCYFWPJJN-UHFFFAOYSA-N 1 0 324.424 3.051 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)n1 ZINC000921756598 620945626 /nfs/dbraw/zinc/94/56/26/620945626.db2.gz YWDULCOLUQDBQZ-MGPQQGTHSA-N 1 0 312.504 3.420 20 10 DGCDRO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H]2CCCO[C@@H]21 ZINC000921782120 620949216 /nfs/dbraw/zinc/94/92/16/620949216.db2.gz QWTFLWDUCYFGMJ-NXHRZFHOSA-N 1 0 301.430 3.305 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H]1CCO[C@@]3(CCSC3)C1)CCCO2 ZINC000921862093 620963805 /nfs/dbraw/zinc/96/38/05/620963805.db2.gz MLKFQJUHSDDFBM-WMZOPIPTSA-N 1 0 319.470 3.156 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(F)cc1 ZINC000922186989 621003216 /nfs/dbraw/zinc/00/32/16/621003216.db2.gz XOJPGKKXSNKEBR-QGZVFWFLSA-N 1 0 315.388 3.016 20 10 DGCDRO CCc1[nH]nc(Cl)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000922217693 621007337 /nfs/dbraw/zinc/00/73/37/621007337.db2.gz VOQCWQJVDQHAPD-VIFPVBQESA-N 1 0 309.797 3.191 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000114505717 621008373 /nfs/dbraw/zinc/00/83/73/621008373.db2.gz KWXBCMLIJBJXIO-UHFFFAOYSA-N 1 0 313.397 3.404 20 10 DGCDRO O[C@H]1C[C@]([NH2+]Cc2ccc3c(c2)CCCO3)(c2ccccc2)C1 ZINC000922332610 621025820 /nfs/dbraw/zinc/02/58/20/621025820.db2.gz OTOSBOGFMWFKIZ-PUZFROQSSA-N 1 0 309.409 3.151 20 10 DGCDRO c1cc(CC[NH2+]Cc2ccc3c(c2)CCO3)n(-c2ccccc2)n1 ZINC000922444081 621038350 /nfs/dbraw/zinc/03/83/50/621038350.db2.gz VZDLMMPLZKWDLK-UHFFFAOYSA-N 1 0 319.408 3.140 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2nccc3c2CCCC3)c(O)c1 ZINC000922466103 621041450 /nfs/dbraw/zinc/04/14/50/621041450.db2.gz GAZOOTQSQGAQQM-UHFFFAOYSA-N 1 0 312.413 3.355 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C2CC(CC(N)=O)C2)cc1 ZINC000922509782 621049064 /nfs/dbraw/zinc/04/90/64/621049064.db2.gz CYQULDIRAFKIAN-UHFFFAOYSA-N 1 0 317.477 3.057 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2c(C)cc(CO)cc2C)c1 ZINC000922561681 621055957 /nfs/dbraw/zinc/05/59/57/621055957.db2.gz RSQUIFMWXUGPHB-UHFFFAOYSA-N 1 0 315.413 3.190 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@]3(C)CCCCO3)CC2)cc1 ZINC000922817692 621104635 /nfs/dbraw/zinc/10/46/35/621104635.db2.gz VSJYFWHJUMWONW-IBGZPJMESA-N 1 0 318.461 3.213 20 10 DGCDRO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757941 621117981 /nfs/dbraw/zinc/11/79/81/621117981.db2.gz XQBPYXZWVCXMOD-HOTGVXAUSA-N 1 0 319.493 3.268 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c(OC)c1 ZINC000115629073 621119095 /nfs/dbraw/zinc/11/90/95/621119095.db2.gz WBQXSUJKBFISDY-UHFFFAOYSA-N 1 0 314.429 3.368 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)c1O ZINC000922895046 621123723 /nfs/dbraw/zinc/12/37/23/621123723.db2.gz NLMVARZUWLHWKU-INIZCTEOSA-N 1 0 303.406 3.011 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccccc1O ZINC000857875332 621126511 /nfs/dbraw/zinc/12/65/11/621126511.db2.gz KSFKAMCOGFREFB-AEFFLSMTSA-N 1 0 310.397 3.146 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c(O)c1 ZINC000922896300 621127549 /nfs/dbraw/zinc/12/75/49/621127549.db2.gz IKXBSZWHKWRAPY-MAUKXSAKSA-N 1 0 305.418 3.086 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1O ZINC000858015327 621145690 /nfs/dbraw/zinc/14/56/90/621145690.db2.gz YYAADZJHHCXPGN-KRWDZBQOSA-N 1 0 312.413 3.311 20 10 DGCDRO Cc1ccc(CC[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000858133674 621156117 /nfs/dbraw/zinc/15/61/17/621156117.db2.gz UOMJOXWNQWMETQ-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858146922 621157793 /nfs/dbraw/zinc/15/77/93/621157793.db2.gz CVOFTFYPRQTLRV-NWDGAFQWSA-N 1 0 300.418 3.405 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000858146354 621158050 /nfs/dbraw/zinc/15/80/50/621158050.db2.gz VODFWDHHOFEWMN-JCURWCKSSA-N 1 0 324.415 3.324 20 10 DGCDRO COc1cnccc1[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858159158 621160329 /nfs/dbraw/zinc/16/03/29/621160329.db2.gz XJDXNFRAPDVEAS-NSHDSACASA-N 1 0 321.371 3.285 20 10 DGCDRO Cc1ccc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)nc1 ZINC000858175208 621161692 /nfs/dbraw/zinc/16/16/92/621161692.db2.gz JAUYTVMGBDLQEO-UHFFFAOYSA-N 1 0 305.372 3.067 20 10 DGCDRO CC(C)OCC(C)(C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858179166 621161950 /nfs/dbraw/zinc/16/19/50/621161950.db2.gz ZZUGDUIQVWKWPM-UHFFFAOYSA-N 1 0 300.393 3.324 20 10 DGCDRO CCC[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OCC ZINC000858210194 621165184 /nfs/dbraw/zinc/16/51/84/621165184.db2.gz IOHUNEQGLZSVHM-LJQANCHMSA-N 1 0 320.477 3.459 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2COc3cccc(C)c3C2)c1O ZINC000858215422 621165569 /nfs/dbraw/zinc/16/55/69/621165569.db2.gz DXZPWCUQNYSJRU-OAHLLOKOSA-N 1 0 313.397 3.193 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@H](C)O[C@H](C)[C@H]3C)CC2)cc1 ZINC000858283611 621171133 /nfs/dbraw/zinc/17/11/33/621171133.db2.gz MNCQFFOSTYTKAU-CUYVQJCZSA-N 1 0 318.461 3.066 20 10 DGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]2C[C@H]2C1 ZINC000858289949 621172362 /nfs/dbraw/zinc/17/23/62/621172362.db2.gz CCXYTUBMRQIRMO-MNZLEMJZSA-N 1 0 318.436 3.188 20 10 DGCDRO CN(CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)CC(F)F ZINC000858336397 621177490 /nfs/dbraw/zinc/17/74/90/621177490.db2.gz GMEWDPBEUBMJID-UHFFFAOYSA-N 1 0 320.383 3.346 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccccc1O ZINC000858448592 621192557 /nfs/dbraw/zinc/19/25/57/621192557.db2.gz DHKOVOAPOFVJKR-OCCSQVGLSA-N 1 0 313.323 3.433 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000858474232 621195768 /nfs/dbraw/zinc/19/57/68/621195768.db2.gz XCPDBSDDFOPJCN-NVXWUHKLSA-N 1 0 302.418 3.055 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000858504252 621198844 /nfs/dbraw/zinc/19/88/44/621198844.db2.gz NPTCDNCDXSKDAC-XJKSGUPXSA-N 1 0 302.418 3.055 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000858509898 621200569 /nfs/dbraw/zinc/20/05/69/621200569.db2.gz TYANLBHEJPPQJU-UKRRQHHQSA-N 1 0 303.402 3.312 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000858532283 621202456 /nfs/dbraw/zinc/20/24/56/621202456.db2.gz IMPHVWVDEOOLFM-HNAYVOBHSA-N 1 0 301.478 3.420 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccnc(F)c1)C[C@@H]1CCCO1 ZINC000859191074 621258773 /nfs/dbraw/zinc/25/87/73/621258773.db2.gz USKQSUBFEHYNDH-INIZCTEOSA-N 1 0 316.376 3.108 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccnc(F)c1)C[C@H]1CCCO1 ZINC000859191075 621258906 /nfs/dbraw/zinc/25/89/06/621258906.db2.gz USKQSUBFEHYNDH-MRXNPFEDSA-N 1 0 316.376 3.108 20 10 DGCDRO CCn1ncc(C[N@H+](Cc2ccccc2O)C2CCCCC2)n1 ZINC000838781631 621279731 /nfs/dbraw/zinc/27/97/31/621279731.db2.gz QSNVVWCXKLERQH-UHFFFAOYSA-N 1 0 314.433 3.339 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@H]1SC ZINC000838947007 621302002 /nfs/dbraw/zinc/30/20/02/621302002.db2.gz BGGTYRQEZGOYFG-BRWVUGGUSA-N 1 0 308.491 3.060 20 10 DGCDRO CC1(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCC1 ZINC000839145703 621332311 /nfs/dbraw/zinc/33/23/11/621332311.db2.gz SIUMFZRYPPAVAD-UHFFFAOYSA-N 1 0 310.388 3.081 20 10 DGCDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145536 621332424 /nfs/dbraw/zinc/33/24/24/621332424.db2.gz PZQWGNRCRKCODF-BBRMVZONSA-N 1 0 310.388 3.080 20 10 DGCDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144639 621332597 /nfs/dbraw/zinc/33/25/97/621332597.db2.gz IUVFUSQDTIHVNE-RHSMWYFYSA-N 1 0 324.415 3.326 20 10 DGCDRO Fc1cc(C[NH2+]C[C@@H]2CC=CCC2)cc(F)c1N1CCOCC1 ZINC000839146788 621332744 /nfs/dbraw/zinc/33/27/44/621332744.db2.gz VGADMMZBHISWNR-CQSZACIVSA-N 1 0 322.399 3.247 20 10 DGCDRO CCC[C@H](C)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146596 621333161 /nfs/dbraw/zinc/33/31/61/621333161.db2.gz NGNBTPCDKAKLRM-ZDUSSCGKSA-N 1 0 312.404 3.327 20 10 DGCDRO CCC[C@H](CC)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839143714 621340954 /nfs/dbraw/zinc/34/09/54/621340954.db2.gz BJJQWLXDBUDLFA-AWEZNQCLSA-N 1 0 312.404 3.470 20 10 DGCDRO CN(C)c1ccc(CN(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000839185843 621345185 /nfs/dbraw/zinc/34/51/85/621345185.db2.gz BRYYQTBUBLKSPY-UHFFFAOYSA-N 1 0 317.502 3.378 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC(C)(C)C1 ZINC000839184908 621345378 /nfs/dbraw/zinc/34/53/78/621345378.db2.gz MZYQKBLUQKLMLR-UHFFFAOYSA-N 1 0 306.425 3.283 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)ccc1OC ZINC000753374163 621438108 /nfs/dbraw/zinc/43/81/08/621438108.db2.gz QGJZEXFVNDQAIJ-DLBZAZTESA-N 1 0 307.434 3.135 20 10 DGCDRO CCOc1ccc(C[N@H+](C)C[C@H](C)c2nccs2)c(O)c1 ZINC000753596182 621452661 /nfs/dbraw/zinc/45/26/61/621452661.db2.gz VXNAZYOXQTXUCN-LBPRGKRZSA-N 1 0 306.431 3.483 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CC[C@@H]3CCCCO3)CC2)cc1 ZINC000754016455 621480148 /nfs/dbraw/zinc/48/01/48/621480148.db2.gz XERZTPWBFJLXGA-IBGZPJMESA-N 1 0 318.461 3.167 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000754731793 621529059 /nfs/dbraw/zinc/52/90/59/621529059.db2.gz GUMSHGBUSFJDFV-SFHVURJKSA-N 1 0 302.462 3.459 20 10 DGCDRO CN(C)c1cc(F)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000862227610 621563981 /nfs/dbraw/zinc/56/39/81/621563981.db2.gz FAWQSWRZVJYOPQ-OAHLLOKOSA-N 1 0 323.431 3.091 20 10 DGCDRO CSCCC[N@H+](C)Cc1c(O)cccc1Br ZINC000862354245 621576937 /nfs/dbraw/zinc/57/69/37/621576937.db2.gz POBNBLGSPIEODR-UHFFFAOYSA-N 1 0 304.253 3.340 20 10 DGCDRO C[C@H](CO)[N@@H+](Cc1cc(F)c(N(C)C)cc1F)CC1CCC1 ZINC000862358869 621577712 /nfs/dbraw/zinc/57/77/12/621577712.db2.gz YKYPYTUAATXVQP-GFCCVEGCSA-N 1 0 312.404 3.014 20 10 DGCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862365076 621579169 /nfs/dbraw/zinc/57/91/69/621579169.db2.gz LZHQJFNNZNGKFH-UKRRQHHQSA-N 1 0 323.431 3.089 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000862398367 621584331 /nfs/dbraw/zinc/58/43/31/621584331.db2.gz GQRWNAQOXNMCMS-CXAGYDPISA-N 1 0 324.415 3.422 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccc3n[nH]cc32)cc1 ZINC000862400474 621585181 /nfs/dbraw/zinc/58/51/81/621585181.db2.gz AFEPHKKZAUOOGM-UHFFFAOYSA-N 1 0 324.428 3.140 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CC2(C)COC2)c(C(F)(F)F)c1 ZINC000862479291 621593534 /nfs/dbraw/zinc/59/35/34/621593534.db2.gz JUVQDMMLTJFKCD-UHFFFAOYSA-N 1 0 316.367 3.240 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000862486100 621594798 /nfs/dbraw/zinc/59/47/98/621594798.db2.gz VNOZKPUCBAGRSY-UKRRQHHQSA-N 1 0 305.418 3.192 20 10 DGCDRO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(Br)cc1O ZINC000756398162 621635280 /nfs/dbraw/zinc/63/52/80/621635280.db2.gz CNYPIHWMNKCWNA-CMPLNLGQSA-N 1 0 314.223 3.374 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCN2CCC(C)CC2)c2c1c(F)ccc2O ZINC000756412948 621636847 /nfs/dbraw/zinc/63/68/47/621636847.db2.gz WMNGUPHMIWKGCM-HIFRSBDPSA-N 1 0 306.425 3.401 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCCC[C@@H]23)c2c1c(F)ccc2O ZINC000756431624 621638096 /nfs/dbraw/zinc/63/80/96/621638096.db2.gz OHSBVKYHPKXZSW-RZFFKMDDSA-N 1 0 304.409 3.296 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCCC[C@H]23)c2c1c(F)ccc2O ZINC000756431620 621638307 /nfs/dbraw/zinc/63/83/07/621638307.db2.gz OHSBVKYHPKXZSW-REBRKWNGSA-N 1 0 304.409 3.296 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc3c2OC(C)(C)C3)c1 ZINC000119271456 621638534 /nfs/dbraw/zinc/63/85/34/621638534.db2.gz RCLGBUGINCSPLG-UHFFFAOYSA-N 1 0 313.397 3.404 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccn2)c(O)c1C ZINC000756480134 621640832 /nfs/dbraw/zinc/64/08/32/621640832.db2.gz RDFMCSWJVMWNNT-CQSZACIVSA-N 1 0 313.401 3.083 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCc3ccccc32)c1 ZINC000756482937 621641121 /nfs/dbraw/zinc/64/11/21/621641121.db2.gz LJEUHNRUZMEHBN-CQSZACIVSA-N 1 0 312.413 3.114 20 10 DGCDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)[nH]n1 ZINC000756574058 621650169 /nfs/dbraw/zinc/65/01/69/621650169.db2.gz MMYFWSKIAMOJJA-VIFPVBQESA-N 1 0 324.222 3.291 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Br)ccc1O ZINC000756576455 621650757 /nfs/dbraw/zinc/65/07/57/621650757.db2.gz UNZIDDPFJJFTJZ-QMTHXVAHSA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc2ccccc2c1O ZINC000756584775 621651255 /nfs/dbraw/zinc/65/12/55/621651255.db2.gz GKLJQBSRDYQCAR-ZDUSSCGKSA-N 1 0 312.413 3.242 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000756634593 621654783 /nfs/dbraw/zinc/65/47/83/621654783.db2.gz AZUIFRGJPKRFOL-GOEBONIOSA-N 1 0 315.413 3.309 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2O)c2c1c(F)ccc2O ZINC000756641359 621655245 /nfs/dbraw/zinc/65/52/45/621655245.db2.gz VBKBWIPSKXSEFO-IQGUHLKTSA-N 1 0 313.372 3.328 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(Br)cc1O ZINC000756671262 621657843 /nfs/dbraw/zinc/65/78/43/621657843.db2.gz FXZAPFUSBOUYFN-WDEREUQCSA-N 1 0 324.222 3.091 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c1 ZINC000756707037 621658821 /nfs/dbraw/zinc/65/88/21/621658821.db2.gz KEIXGGOYDKBBBA-CQSZACIVSA-N 1 0 320.433 3.361 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756711044 621659884 /nfs/dbraw/zinc/65/98/84/621659884.db2.gz HRDVXVAEHVTGLC-CZUORRHYSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2sccc2C)c1 ZINC000756736008 621661889 /nfs/dbraw/zinc/66/18/89/621661889.db2.gz KKTQOCIMUKFRPD-FZMZJTMJSA-N 1 0 307.415 3.155 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c(O)c1 ZINC000756762904 621663018 /nfs/dbraw/zinc/66/30/18/621663018.db2.gz SUGFQHGOPRNYFL-WMLDXEAASA-N 1 0 316.445 3.285 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000756765468 621663324 /nfs/dbraw/zinc/66/33/24/621663324.db2.gz OSTFVSLNOACGPW-CABCVRRESA-N 1 0 305.418 3.079 20 10 DGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)C2 ZINC000756776233 621663911 /nfs/dbraw/zinc/66/39/11/621663911.db2.gz XISLTPULYXWZOF-HIFRSBDPSA-N 1 0 313.397 3.364 20 10 DGCDRO C[C@H]([NH2+]CCOC1CCC1)c1ccc(Br)cc1O ZINC000756837266 621667154 /nfs/dbraw/zinc/66/71/54/621667154.db2.gz GBGXAJJYQCQRBF-JTQLQIEISA-N 1 0 314.223 3.374 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)CCCC2 ZINC000789500071 625511566 /nfs/dbraw/zinc/51/15/66/625511566.db2.gz BZPDCUJLXWFVAS-PKOBYXMFSA-N 1 0 301.430 3.414 20 10 DGCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000839641619 621706927 /nfs/dbraw/zinc/70/69/27/621706927.db2.gz WRYLGORCBXYRMB-PIGZYNQJSA-N 1 0 309.381 3.027 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000758602590 621791402 /nfs/dbraw/zinc/79/14/02/621791402.db2.gz MSZIOPLQRVVVFR-VQTJNVASSA-N 1 0 309.457 3.288 20 10 DGCDRO CC1(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)OCCO1 ZINC000759179897 621832478 /nfs/dbraw/zinc/83/24/78/621832478.db2.gz NTUPXRKKGHXLGD-UHFFFAOYSA-N 1 0 313.397 3.302 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+]C2CC=CC2)ccc1N1CCCCC1 ZINC000759854642 621897134 /nfs/dbraw/zinc/89/71/34/621897134.db2.gz UBVVJEYUAXZMBP-UHFFFAOYSA-N 1 0 301.390 3.393 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000760035563 621912286 /nfs/dbraw/zinc/91/22/86/621912286.db2.gz BAXSQMHUTMHSKL-DZGCQCFKSA-N 1 0 312.404 3.344 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000760156356 621918253 /nfs/dbraw/zinc/91/82/53/621918253.db2.gz FTVFRFCLOCEVOY-RCCFBDPRSA-N 1 0 300.446 3.108 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000865428677 621919189 /nfs/dbraw/zinc/91/91/89/621919189.db2.gz YXJCLBIUFIEIRL-UHFFFAOYSA-N 1 0 314.404 3.261 20 10 DGCDRO CN(C)c1ccc(F)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000865441881 621922339 /nfs/dbraw/zinc/92/23/39/621922339.db2.gz ZNRCAVUYUOJCKO-UHFFFAOYSA-N 1 0 300.377 3.116 20 10 DGCDRO Oc1ccccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000865650302 621971202 /nfs/dbraw/zinc/97/12/02/621971202.db2.gz BNBITOJQXAPSIO-WBVHZDCISA-N 1 0 305.324 3.290 20 10 DGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000760886941 621971662 /nfs/dbraw/zinc/97/16/62/621971662.db2.gz OZHBLXJQCHXTLI-MORSLUCNSA-N 1 0 315.413 3.390 20 10 DGCDRO OC[C@@H]([NH2+]Cc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000865653963 621972101 /nfs/dbraw/zinc/97/21/01/621972101.db2.gz JSFSSTUXPPFMJR-CQSZACIVSA-N 1 0 311.303 3.234 20 10 DGCDRO C[C@H]([NH2+]CCc1ccn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000760895844 621972617 /nfs/dbraw/zinc/97/26/17/621972617.db2.gz DTGUSLUEKRAXBG-INIZCTEOSA-N 1 0 312.461 3.304 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@H](SC)C3)CC2)cc1 ZINC000865733521 621985453 /nfs/dbraw/zinc/98/54/53/621985453.db2.gz LCWYOGWLUKGUMK-CZIWCDLHSA-N 1 0 306.475 3.148 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000865735792 621985837 /nfs/dbraw/zinc/98/58/37/621985837.db2.gz XXYKBSFYXDBGEE-ZWKOTPCHSA-N 1 0 305.418 3.228 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c(O)c1 ZINC000865736119 621986282 /nfs/dbraw/zinc/98/62/82/621986282.db2.gz GGNFRQUWFZELHJ-QZTJIDSGSA-N 1 0 305.418 3.228 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C2(CCO)CCCCC2)c1O ZINC000761216898 621995408 /nfs/dbraw/zinc/99/54/08/621995408.db2.gz ZLCYTXIWDZFYSG-UHFFFAOYSA-N 1 0 313.825 3.229 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000865786445 621995558 /nfs/dbraw/zinc/99/55/58/621995558.db2.gz MEKPFJGPWKHHJT-UHFFFAOYSA-N 1 0 316.357 3.297 20 10 DGCDRO Cc1ccc(O)c(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000761224351 621995729 /nfs/dbraw/zinc/99/57/29/621995729.db2.gz XJTJURMDBXMSNZ-UHFFFAOYSA-N 1 0 314.429 3.277 20 10 DGCDRO CC(F)(F)C(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865790045 621996415 /nfs/dbraw/zinc/99/64/15/621996415.db2.gz GIUJKDJOMDQDQA-UHFFFAOYSA-N 1 0 312.404 3.294 20 10 DGCDRO Cn1cc(C(F)F)c(C[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000865808664 621999019 /nfs/dbraw/zinc/99/90/19/621999019.db2.gz AIAUSYGCPWKHIM-UHFFFAOYSA-N 1 0 301.724 3.007 20 10 DGCDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000865876038 622013835 /nfs/dbraw/zinc/01/38/35/622013835.db2.gz HPPUVIRSKRMTMJ-GXTWGEPZSA-N 1 0 309.450 3.337 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)cc1C ZINC000865879002 622014763 /nfs/dbraw/zinc/01/47/63/622014763.db2.gz GEWDUHNTOUKARS-UHFFFAOYSA-N 1 0 312.413 3.278 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1C ZINC000762611066 622085941 /nfs/dbraw/zinc/08/59/41/622085941.db2.gz CIVGFUWKBYWDLE-BMFZPTHFSA-N 1 0 309.500 3.478 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc2c1OCC2 ZINC000762620394 622086865 /nfs/dbraw/zinc/08/68/65/622086865.db2.gz ZXVIXRLZXDBVQW-KBMXLJTQSA-N 1 0 307.484 3.091 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(Br)cc1O ZINC000762647197 622088872 /nfs/dbraw/zinc/08/88/72/622088872.db2.gz FGVDWTUHLHIFKN-NRUUGDAUSA-N 1 0 314.223 3.230 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)c(O)c1C ZINC000866424791 622115808 /nfs/dbraw/zinc/11/58/08/622115808.db2.gz HFPZRCWEPDAZMG-SWLSCSKDSA-N 1 0 307.434 3.449 20 10 DGCDRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)CC1(C)OCCO1 ZINC000866426269 622116433 /nfs/dbraw/zinc/11/64/33/622116433.db2.gz XIUMRJLXNNQFQZ-OUCADQQQSA-N 1 0 323.408 3.458 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000866463170 622122282 /nfs/dbraw/zinc/12/22/82/622122282.db2.gz KMENWGFHYRTGSS-UBJUHAIHSA-N 1 0 311.731 3.316 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1 ZINC000866462896 622122445 /nfs/dbraw/zinc/12/24/45/622122445.db2.gz CPUUAHXZFJNOOS-BPNCWPANSA-N 1 0 305.340 3.299 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1 ZINC000866462897 622122451 /nfs/dbraw/zinc/12/24/51/622122451.db2.gz CPUUAHXZFJNOOS-SWHYSGLUSA-N 1 0 305.340 3.299 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc3c2CCOC3)c1O ZINC000866478135 622124260 /nfs/dbraw/zinc/12/42/60/622124260.db2.gz FAMHXHJKZRYCEH-CYBMUJFWSA-N 1 0 313.397 3.324 20 10 DGCDRO C[C@H]1[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCOC1(C)C ZINC000763209996 622130571 /nfs/dbraw/zinc/13/05/71/622130571.db2.gz FSNZQSQDXVYJCZ-GFCCVEGCSA-N 1 0 307.434 3.395 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c(O)c1 ZINC000866530363 622132726 /nfs/dbraw/zinc/13/27/26/622132726.db2.gz AAPWFSTUYZZIEK-HOTGVXAUSA-N 1 0 319.445 3.245 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c1O ZINC000866532056 622133144 /nfs/dbraw/zinc/13/31/44/622133144.db2.gz VIMOAZVPLXUPSY-UONOGXRCSA-N 1 0 305.418 3.258 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(C)cc1O ZINC000866533369 622133584 /nfs/dbraw/zinc/13/35/84/622133584.db2.gz QKYVBZCSASDQTQ-DOTOQJQBSA-N 1 0 319.445 3.327 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C[C@@H]1n1ccnc1 ZINC000121625056 622167474 /nfs/dbraw/zinc/16/74/74/622167474.db2.gz ZRJPDYFRFXXKFM-KSSFIOAISA-N 1 0 311.429 3.161 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121850290 622186533 /nfs/dbraw/zinc/18/65/33/622186533.db2.gz FTVFRFCLOCEVOY-KSZLIROESA-N 1 0 300.446 3.108 20 10 DGCDRO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1O ZINC000868012526 622204527 /nfs/dbraw/zinc/20/45/27/622204527.db2.gz PHTHMKRUPHEDMP-GFCCVEGCSA-N 1 0 319.449 3.062 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000764610763 622207365 /nfs/dbraw/zinc/20/73/65/622207365.db2.gz MUUJNNAHMQMSIR-QGZVFWFLSA-N 1 0 318.461 3.395 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000764643596 622209957 /nfs/dbraw/zinc/20/99/57/622209957.db2.gz ZWQQFNPMNJQJKE-CQSZACIVSA-N 1 0 312.413 3.375 20 10 DGCDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000764708151 622214808 /nfs/dbraw/zinc/21/48/08/622214808.db2.gz PXHPURCQIRUQFP-HNNXBMFYSA-N 1 0 314.429 3.491 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)Cc3ccco3)CC2)cc1 ZINC000764774805 622219908 /nfs/dbraw/zinc/21/99/08/622219908.db2.gz RGFBRYXXUBWQTJ-HNNXBMFYSA-N 1 0 314.429 3.478 20 10 DGCDRO C[C@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1O ZINC000868176497 622222420 /nfs/dbraw/zinc/22/24/20/622222420.db2.gz PJIVUGURGOASIJ-KNXALSJPSA-N 1 0 311.385 3.090 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCc3ccc(C)o3)CC2)cc1 ZINC000764918817 622232480 /nfs/dbraw/zinc/23/24/80/622232480.db2.gz FNWXPDZJKRJJAF-UHFFFAOYSA-N 1 0 314.429 3.398 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000764967362 622236684 /nfs/dbraw/zinc/23/66/84/622236684.db2.gz UFAAJAPZCXMRRW-IPMKNSEASA-N 1 0 301.478 3.420 20 10 DGCDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000765119516 622247388 /nfs/dbraw/zinc/24/73/88/622247388.db2.gz XVGCNAGLTSQRNZ-CQSZACIVSA-N 1 0 306.425 3.331 20 10 DGCDRO CC[C@@H]([NH2+]CCCn1ccnc1C)c1ccc(N(C)C)cc1 ZINC000765140851 622249080 /nfs/dbraw/zinc/24/90/80/622249080.db2.gz HDVJXBKCTHRBPS-GOSISDBHSA-N 1 0 300.450 3.389 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000765280501 622256398 /nfs/dbraw/zinc/25/63/98/622256398.db2.gz LYORYBVPPPJCMY-FUHWJXTLSA-N 1 0 301.478 3.422 20 10 DGCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765287482 622256944 /nfs/dbraw/zinc/25/69/44/622256944.db2.gz QBJFQPUBHUHTRW-QAPCUYQASA-N 1 0 320.452 3.455 20 10 DGCDRO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000765403428 622263389 /nfs/dbraw/zinc/26/33/89/622263389.db2.gz QFLXVZGGBBXRRZ-INIZCTEOSA-N 1 0 309.457 3.419 20 10 DGCDRO C[NH+](C)CCCOc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000765404393 622263542 /nfs/dbraw/zinc/26/35/42/622263542.db2.gz TWGBOQPEXYKGBA-UHFFFAOYSA-N 1 0 320.414 3.037 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765834816 622290220 /nfs/dbraw/zinc/29/02/20/622290220.db2.gz HTKGCIFPXDUGMX-ZIAGYGMSSA-N 1 0 324.852 3.006 20 10 DGCDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765935494 622295021 /nfs/dbraw/zinc/29/50/21/622295021.db2.gz GGWKHRUZTXWTAY-YCRPNKLZSA-N 1 0 308.491 3.096 20 10 DGCDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000766215438 622312723 /nfs/dbraw/zinc/31/27/23/622312723.db2.gz ZYTGEGYGXGMUCE-YJBOKZPZSA-N 1 0 302.462 3.438 20 10 DGCDRO CC1(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000766215413 622312786 /nfs/dbraw/zinc/31/27/86/622312786.db2.gz YDOHZYONGCMIRD-UHFFFAOYSA-N 1 0 302.462 3.175 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000766435915 622329765 /nfs/dbraw/zinc/32/97/65/622329765.db2.gz CPSSGRNPTBGDQX-OAHLLOKOSA-N 1 0 317.477 3.194 20 10 DGCDRO CCOC(=O)CC1([NH2+]Cc2cc(Cl)ccc2O)CCCC1 ZINC000789780630 625565408 /nfs/dbraw/zinc/56/54/08/625565408.db2.gz XSGGJDHUJWJPHV-UHFFFAOYSA-N 1 0 311.809 3.401 20 10 DGCDRO CCOC(=O)CC1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCCC1 ZINC000789779902 625566220 /nfs/dbraw/zinc/56/62/20/625566220.db2.gz RDRJUPDRZHPTDC-UHFFFAOYSA-N 1 0 322.424 3.247 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)CCOc2ccc(F)cc2)c1 ZINC000768213339 622445498 /nfs/dbraw/zinc/44/54/98/622445498.db2.gz QWVVOEOKHGSMTA-UHFFFAOYSA-N 1 0 319.376 3.441 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCCCC1)[C@@H](O)CO2 ZINC000768442514 622456110 /nfs/dbraw/zinc/45/61/10/622456110.db2.gz KWXKAVIJKKJURL-AEFFLSMTSA-N 1 0 317.429 3.363 20 10 DGCDRO COc1cc(O)c(C[N@H+](Cc2ccccn2)C(C)C)cc1OC ZINC000768444336 622456159 /nfs/dbraw/zinc/45/61/59/622456159.db2.gz XPWHUGHZFIOIAF-UHFFFAOYSA-N 1 0 316.401 3.215 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccsc1)[C@@H](O)CO2 ZINC000768439707 622456182 /nfs/dbraw/zinc/45/61/82/622456182.db2.gz MRXKUCYNPBEAKL-ZBFHGGJFSA-N 1 0 317.410 3.217 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CC=CCC3)C1)[C@@H](O)CO2 ZINC000768445672 622456875 /nfs/dbraw/zinc/45/68/75/622456875.db2.gz GKKVGTDVYQQPGM-PKOBYXMFSA-N 1 0 315.413 3.140 20 10 DGCDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445146 622457176 /nfs/dbraw/zinc/45/71/76/622457176.db2.gz QEYVBTQFPLLXSW-BBRMVZONSA-N 1 0 305.418 3.219 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]([C@@H]3CCOC3)C1)CCCC2 ZINC000768461851 622457583 /nfs/dbraw/zinc/45/75/83/622457583.db2.gz GCKITAOIQLDQDM-IAGOWNOFSA-N 1 0 301.430 3.129 20 10 DGCDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464121 622457996 /nfs/dbraw/zinc/45/79/96/622457996.db2.gz ZYSOYWKFQHXDMQ-MJEQTWJJSA-N 1 0 305.418 3.219 20 10 DGCDRO CCCCC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462144 622458071 /nfs/dbraw/zinc/45/80/71/622458071.db2.gz JXWSSEGVQGHWAD-WMLDXEAASA-N 1 0 305.418 3.363 20 10 DGCDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462485 622458095 /nfs/dbraw/zinc/45/80/95/622458095.db2.gz LXBGOYKFDNJPAH-WMLDXEAASA-N 1 0 305.418 3.219 20 10 DGCDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462484 622458273 /nfs/dbraw/zinc/45/82/73/622458273.db2.gz LXBGOYKFDNJPAH-RHSMWYFYSA-N 1 0 305.418 3.219 20 10 DGCDRO COc1cc(C[N@@H+]2CCc3cc(F)ccc3C2)c(O)cc1C ZINC000768481260 622459561 /nfs/dbraw/zinc/45/95/61/622459561.db2.gz JMOCQURTLFGQOD-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO CC[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H]1CCOC1 ZINC000768521448 622461362 /nfs/dbraw/zinc/46/13/62/622461362.db2.gz QRMZTGLFZZRFKC-NSHDSACASA-N 1 0 314.223 3.013 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000768863999 622481600 /nfs/dbraw/zinc/48/16/00/622481600.db2.gz ZQMGUBQVWRYXBG-UHFFFAOYSA-N 1 0 319.376 3.441 20 10 DGCDRO C[N@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccccc1O ZINC000768872345 622482120 /nfs/dbraw/zinc/48/21/20/622482120.db2.gz HKOWVWCOZNZMJR-UHFFFAOYSA-N 1 0 301.777 3.325 20 10 DGCDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1 ZINC000768892826 622483698 /nfs/dbraw/zinc/48/36/98/622483698.db2.gz MKKSHSFEYQEZKF-OAHLLOKOSA-N 1 0 316.420 3.275 20 10 DGCDRO COc1cccc(O)c1CN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000768913122 622484653 /nfs/dbraw/zinc/48/46/53/622484653.db2.gz FNZKBBRRKADQDI-XHSDSOJGSA-N 1 0 318.461 3.238 20 10 DGCDRO CCOc1ccc(CN2CCC[N@@H+](C(C)(C)C)CC2)c(O)c1 ZINC000769184636 622506178 /nfs/dbraw/zinc/50/61/78/622506178.db2.gz CDSWCQSNDWGXHY-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO CN(C)c1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000769233710 622509505 /nfs/dbraw/zinc/50/95/05/622509505.db2.gz OWSFAKZLJYAJMA-KRWDZBQOSA-N 1 0 319.468 3.342 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000769325898 622517547 /nfs/dbraw/zinc/51/75/47/622517547.db2.gz CNPYXMDUKJXEBE-FQEVSTJZSA-N 1 0 313.489 3.345 20 10 DGCDRO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000769341629 622519049 /nfs/dbraw/zinc/51/90/49/622519049.db2.gz FMICNKRXYGVTRU-ZDUSSCGKSA-N 1 0 322.836 3.023 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000769436767 622527651 /nfs/dbraw/zinc/52/76/51/622527651.db2.gz XUKNVNPUSYDHCM-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO Cc1cnc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)s1 ZINC000769455474 622529312 /nfs/dbraw/zinc/52/93/12/622529312.db2.gz CWPFOGJBGUCEHL-UHFFFAOYSA-N 1 0 317.458 3.096 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1O ZINC000769471425 622531077 /nfs/dbraw/zinc/53/10/77/622531077.db2.gz UHPUGHQVPKIPNE-UWVGGRQHSA-N 1 0 314.223 3.394 20 10 DGCDRO CCOc1ccc(C[N@@H+](C)[C@H]2C[C@H](OCC)C2(C)C)c(O)c1 ZINC000769474886 622531555 /nfs/dbraw/zinc/53/15/55/622531555.db2.gz SWQZKCDJXDMQJC-IRXDYDNUSA-N 1 0 307.434 3.426 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)cc1 ZINC000769497852 622533900 /nfs/dbraw/zinc/53/39/00/622533900.db2.gz DFPDLBJDVAANNT-OAQYLSRUSA-N 1 0 323.484 3.459 20 10 DGCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1c(O)cccc1Cl ZINC000769538704 622539132 /nfs/dbraw/zinc/53/91/32/622539132.db2.gz UTGBBVZZMCFZFL-CQSZACIVSA-N 1 0 305.809 3.289 20 10 DGCDRO CC[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+](CC)CC ZINC000769564022 622541550 /nfs/dbraw/zinc/54/15/50/622541550.db2.gz QPQVACVPCVCOQN-QGZVFWFLSA-N 1 0 318.461 3.008 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccsc2)c2c1c(F)ccc2O ZINC000769990653 622587393 /nfs/dbraw/zinc/58/73/93/622587393.db2.gz VUEFMRMRDPGDHF-ICCXJUOJSA-N 1 0 307.390 3.464 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000770430148 622633571 /nfs/dbraw/zinc/63/35/71/622633571.db2.gz QNMDDKWQUYCVRM-GFCCVEGCSA-N 1 0 303.789 3.387 20 10 DGCDRO Oc1ccccc1C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000770509546 622640430 /nfs/dbraw/zinc/64/04/30/622640430.db2.gz OAVYSXNYXBPWJJ-UHFFFAOYSA-N 1 0 316.832 3.363 20 10 DGCDRO Cc1ccccc1CN1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000770509554 622640625 /nfs/dbraw/zinc/64/06/25/622640625.db2.gz OCZABBHJROQFGJ-UHFFFAOYSA-N 1 0 310.441 3.409 20 10 DGCDRO Oc1ccccc1C[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000770509295 622640645 /nfs/dbraw/zinc/64/06/45/622640645.db2.gz KQEHHZJSCBWHFN-UHFFFAOYSA-N 1 0 316.832 3.363 20 10 DGCDRO Cn1c2cccc(F)c2nc1-c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771515103 622770725 /nfs/dbraw/zinc/77/07/25/622770725.db2.gz XMKKPTXIEXXTLZ-UHFFFAOYSA-N 1 0 324.403 3.131 20 10 DGCDRO C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1cc(F)ccc1O ZINC000872111079 622813962 /nfs/dbraw/zinc/81/39/62/622813962.db2.gz YRIPPURMLITKQW-SSDOTTSWSA-N 1 0 317.229 3.354 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2=O)c2c1c(F)ccc2O ZINC000872113215 622814613 /nfs/dbraw/zinc/81/46/13/622814613.db2.gz NNTFIDJNPVIRCA-NTZNESFSSA-N 1 0 307.365 3.013 20 10 DGCDRO CC[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000872115550 622816603 /nfs/dbraw/zinc/81/66/03/622816603.db2.gz IFLDHWGUXKLVCV-DOTOQJQBSA-N 1 0 304.434 3.137 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1O ZINC000872259930 622869987 /nfs/dbraw/zinc/86/99/87/622869987.db2.gz FCGFJLQKWUVMNP-INIZCTEOSA-N 1 0 305.418 3.324 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CCC3)CC1)[C@@H](O)CO2 ZINC000872701365 622956026 /nfs/dbraw/zinc/95/60/26/622956026.db2.gz WBJHNASPRZKZRX-KDOFPFPSSA-N 1 0 317.429 3.220 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)cc1 ZINC000772960186 622957679 /nfs/dbraw/zinc/95/76/79/622957679.db2.gz UCRPJQFGEXCJFC-CQSZACIVSA-N 1 0 305.466 3.098 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773009902 622965803 /nfs/dbraw/zinc/96/58/03/622965803.db2.gz PXVKAVGKASMIRD-KBXCAEBGSA-N 1 0 314.429 3.145 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773012603 622967196 /nfs/dbraw/zinc/96/71/96/622967196.db2.gz WOMURQYWVNDYCB-UGSOOPFHSA-N 1 0 302.393 3.276 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)N(C)C ZINC000773042484 622972976 /nfs/dbraw/zinc/97/29/76/622972976.db2.gz BDENFTURTNEEPZ-JKSUJKDBSA-N 1 0 317.477 3.194 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000773080755 622979282 /nfs/dbraw/zinc/97/92/82/622979282.db2.gz NCESALLWRYLRBC-DOTOQJQBSA-N 1 0 318.461 3.131 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c1O ZINC000872807307 622982817 /nfs/dbraw/zinc/98/28/17/622982817.db2.gz MTSNVNGGEJFVAS-ZDUSSCGKSA-N 1 0 318.442 3.464 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O ZINC000773262206 623005348 /nfs/dbraw/zinc/00/53/48/623005348.db2.gz OIZHEZOGFOTEFZ-HOTGVXAUSA-N 1 0 319.445 3.348 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)CC(F)F)cc1Cn1cccn1 ZINC000873134763 623044622 /nfs/dbraw/zinc/04/46/22/623044622.db2.gz UMAZKQUSXKXOFX-CYBMUJFWSA-N 1 0 323.387 3.321 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000873157580 623056896 /nfs/dbraw/zinc/05/68/96/623056896.db2.gz CMWYCHRQTYGXNF-UHFFFAOYSA-N 1 0 319.714 3.051 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000773732211 623064211 /nfs/dbraw/zinc/06/42/11/623064211.db2.gz ZKLOLBIDKWXSQR-QGZVFWFLSA-N 1 0 312.461 3.256 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000873184261 623065147 /nfs/dbraw/zinc/06/51/47/623065147.db2.gz ITFHRLQQYQNBJD-LLVKDONJSA-N 1 0 302.330 3.160 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)[C@@H](O)c2ccccc2)c1 ZINC000873193199 623069166 /nfs/dbraw/zinc/06/91/66/623069166.db2.gz JSOVLRVBOFUYRJ-MJGOQNOKSA-N 1 0 315.413 3.393 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccc(OC)c(O)c2)cc1 ZINC000773766743 623070797 /nfs/dbraw/zinc/07/07/97/623070797.db2.gz VCVQGHVEUFEJIQ-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000773802503 623073138 /nfs/dbraw/zinc/07/31/38/623073138.db2.gz VOBBRSHYHXSQIZ-QFBILLFUSA-N 1 0 312.461 3.422 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)cc1 ZINC000773808151 623074110 /nfs/dbraw/zinc/07/41/10/623074110.db2.gz NUGJXCUNJDNJCH-SFHVURJKSA-N 1 0 312.461 3.386 20 10 DGCDRO CCN(C)c1ccc(CN2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000773815314 623074301 /nfs/dbraw/zinc/07/43/01/623074301.db2.gz BFVHIQPBBIPUMS-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000773832302 623075884 /nfs/dbraw/zinc/07/58/84/623075884.db2.gz OSPWOZNYJMAJKO-MSOLQXFVSA-N 1 0 304.478 3.372 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1 ZINC000773840188 623078346 /nfs/dbraw/zinc/07/83/46/623078346.db2.gz PHTLIBJNYMIMJY-QGZVFWFLSA-N 1 0 318.461 3.118 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000773840187 623078692 /nfs/dbraw/zinc/07/86/92/623078692.db2.gz PHTLIBJNYMIMJY-KRWDZBQOSA-N 1 0 318.461 3.118 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC[NH2+]CC1 ZINC000873222334 623079798 /nfs/dbraw/zinc/07/97/98/623079798.db2.gz NHEWTDKKXPGWKY-VIFPVBQESA-N 1 0 303.233 3.177 20 10 DGCDRO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000774193236 623118171 /nfs/dbraw/zinc/11/81/71/623118171.db2.gz UMPIZCQXPZSXQH-ZDUSSCGKSA-N 1 0 316.401 3.291 20 10 DGCDRO COc1c(O)c(C[N@@H+]2CC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774813902 623194952 /nfs/dbraw/zinc/19/49/52/623194952.db2.gz IOHVYTRLWSKVFV-CQSZACIVSA-N 1 0 314.341 3.256 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000775025221 623217343 /nfs/dbraw/zinc/21/73/43/623217343.db2.gz UCBKZJQXORUZDU-UHFFFAOYSA-N 1 0 312.816 3.149 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCN2C2CC2)c1O ZINC000775158131 623236519 /nfs/dbraw/zinc/23/65/19/623236519.db2.gz NROYBYLWLRDJKF-OAHLLOKOSA-N 1 0 324.852 3.161 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccc(N(C)C)cc1 ZINC000775363930 623260654 /nfs/dbraw/zinc/26/06/54/623260654.db2.gz NTNRGURXZZPPGR-AWEZNQCLSA-N 1 0 308.429 3.490 20 10 DGCDRO COC(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000775369845 623261040 /nfs/dbraw/zinc/26/10/40/623261040.db2.gz SQNUJLQVHCYTAR-WDEREUQCSA-N 1 0 319.357 3.192 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000775370568 623261261 /nfs/dbraw/zinc/26/12/61/623261261.db2.gz WHBIZFJNEQRGAZ-SECBINFHSA-N 1 0 308.359 3.221 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c(O)c1 ZINC000775371637 623261555 /nfs/dbraw/zinc/26/15/55/623261555.db2.gz OPBCTTPEDSRACZ-SJLPKXTDSA-N 1 0 307.434 3.474 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cc(Cl)ccc1O ZINC000775499347 623280529 /nfs/dbraw/zinc/28/05/29/623280529.db2.gz BWKLQXIHKAWVCX-JSGCOSHPSA-N 1 0 320.824 3.001 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Cl)ccc1O ZINC000775496609 623280710 /nfs/dbraw/zinc/28/07/10/623280710.db2.gz KNDDVHKJZNWWDG-GWCFXTLKSA-N 1 0 312.841 3.390 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)CO[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775512329 623282338 /nfs/dbraw/zinc/28/23/38/623282338.db2.gz JCQFWLNJFVXJMZ-ZLDLUXBVSA-N 1 0 313.825 3.280 20 10 DGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2cc(Cl)ccc2O)C1 ZINC000775513119 623282459 /nfs/dbraw/zinc/28/24/59/623282459.db2.gz GGHNFVAXLKWBAY-TZMCWYRMSA-N 1 0 310.825 3.097 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)COCCOC)c1cc(Cl)ccc1O ZINC000775528379 623285020 /nfs/dbraw/zinc/28/50/20/623285020.db2.gz XSNXIMFZBSTHIQ-RISCZKNCSA-N 1 0 301.814 3.138 20 10 DGCDRO CCNC(=O)C(C)(C)C[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775541003 623286603 /nfs/dbraw/zinc/28/66/03/623286603.db2.gz RRBIBQNERVHPPE-CYBMUJFWSA-N 1 0 312.841 3.249 20 10 DGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775632884 623299205 /nfs/dbraw/zinc/29/92/05/623299205.db2.gz CTJZTOWBYYWIQB-LBPRGKRZSA-N 1 0 311.809 3.129 20 10 DGCDRO CC[N@H+](Cc1ccoc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775674714 623310668 /nfs/dbraw/zinc/31/06/68/623310668.db2.gz KXDKYQXLTIUHRD-UHFFFAOYSA-N 1 0 313.445 3.054 20 10 DGCDRO Cc1cccc(C[N@H+]2CCN(Cc3ccccc3)C[C@H]2C)c1O ZINC000775695637 623314554 /nfs/dbraw/zinc/31/45/54/623314554.db2.gz PYBXPEJPOMUVMA-QGZVFWFLSA-N 1 0 310.441 3.407 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)NC1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000775830121 623338382 /nfs/dbraw/zinc/33/83/82/623338382.db2.gz DAHRQWDANSLZJR-OAHLLOKOSA-N 1 0 317.477 3.242 20 10 DGCDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775832762 623338499 /nfs/dbraw/zinc/33/84/99/623338499.db2.gz BNBRELNJYVTYQM-ZDUSSCGKSA-N 1 0 315.392 3.181 20 10 DGCDRO C[C@@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000775996641 623362250 /nfs/dbraw/zinc/36/22/50/623362250.db2.gz LGXYXBSGZKOPPL-OAHLLOKOSA-N 1 0 306.425 3.284 20 10 DGCDRO COc1ccc(OC)c(CC[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000776066730 623371256 /nfs/dbraw/zinc/37/12/56/623371256.db2.gz LEXOZPJIBJWUKD-UHFFFAOYSA-N 1 0 321.804 3.395 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000776094609 623376121 /nfs/dbraw/zinc/37/61/21/623376121.db2.gz RAPMXRFZYLHMET-QGZVFWFLSA-N 1 0 312.413 3.010 20 10 DGCDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC000776155167 623383890 /nfs/dbraw/zinc/38/38/90/623383890.db2.gz ZUGOQVRPWGAAAJ-BMGDILEWSA-N 1 0 302.462 3.436 20 10 DGCDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000776220001 623398819 /nfs/dbraw/zinc/39/88/19/623398819.db2.gz UFRNABFOQCRRFU-UHFFFAOYSA-N 1 0 306.749 3.286 20 10 DGCDRO Cc1nnc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)s1 ZINC000810242361 623466581 /nfs/dbraw/zinc/46/65/81/623466581.db2.gz ADGLKBGLRAQDBU-VIFPVBQESA-N 1 0 311.838 3.407 20 10 DGCDRO COc1cc2c(cc1F)C[N@H+](Cc1cc(C)ccc1O)CC2 ZINC000777440618 623525990 /nfs/dbraw/zinc/52/59/90/623525990.db2.gz NKTVSZKQUPAYSK-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1F ZINC000777440104 623526030 /nfs/dbraw/zinc/52/60/30/623526030.db2.gz UDRXBCZUSRXMRO-QGZVFWFLSA-N 1 0 306.425 3.283 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000777469906 623529471 /nfs/dbraw/zinc/52/94/71/623529471.db2.gz PHYQCCFWWSNBLX-LPHOPBHVSA-N 1 0 303.494 3.305 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c(O)c1 ZINC000790484681 625659796 /nfs/dbraw/zinc/65/97/96/625659796.db2.gz HLEVOGISTQAUCV-KRWDZBQOSA-N 1 0 306.450 3.001 20 10 DGCDRO COc1ccc(C[NH2+]C2(C(=O)Nc3ccccc3)CC2)cc1C ZINC000778217772 623627219 /nfs/dbraw/zinc/62/72/19/623627219.db2.gz JZQGNDTYDMGWSM-UHFFFAOYSA-N 1 0 310.397 3.265 20 10 DGCDRO CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506900 623630340 /nfs/dbraw/zinc/63/03/40/623630340.db2.gz QHHOEUKIHYBZOQ-FHLIZLRMSA-N 1 0 317.477 3.085 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(C)cc2O)cc1OC ZINC000876536273 623636927 /nfs/dbraw/zinc/63/69/27/623636927.db2.gz XIJUOYVDYGTAAR-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000876579944 623650799 /nfs/dbraw/zinc/65/07/99/623650799.db2.gz CWLKUBPDCFRPTI-UHFFFAOYSA-N 1 0 302.462 3.412 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000876635213 623665544 /nfs/dbraw/zinc/66/55/44/623665544.db2.gz PUXIQTDBARLYBE-INIZCTEOSA-N 1 0 301.386 3.475 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C3CC3)cc2)CC1 ZINC000876690457 623682743 /nfs/dbraw/zinc/68/27/43/623682743.db2.gz VTLLIFLSWRWSCS-LJQANCHMSA-N 1 0 300.446 3.022 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3CCC(C(F)F)CC3)cc2)CC1 ZINC000876743373 623694449 /nfs/dbraw/zinc/69/44/49/623694449.db2.gz DVFQOUFQABRXME-UHFFFAOYSA-N 1 0 324.415 3.125 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876745778 623695626 /nfs/dbraw/zinc/69/56/26/623695626.db2.gz LSORQTMHMVMLQT-CVEARBPZSA-N 1 0 302.462 3.126 20 10 DGCDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876753208 623698205 /nfs/dbraw/zinc/69/82/05/623698205.db2.gz CHMZEPNWMRYHAB-HNNXBMFYSA-N 1 0 322.518 3.221 20 10 DGCDRO Cc1nc(N2CC[NH+](Cc3c(C)cccc3O)CC2)sc1C ZINC000876769055 623701322 /nfs/dbraw/zinc/70/13/22/623701322.db2.gz RBHHUMSVQXQMQA-UHFFFAOYSA-N 1 0 317.458 3.096 20 10 DGCDRO [O-]c1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000876811587 623713592 /nfs/dbraw/zinc/71/35/92/623713592.db2.gz LNODRYMGUBTMHH-BLLLJJGKSA-N 1 0 322.399 3.119 20 10 DGCDRO [O-]c1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000876811588 623713627 /nfs/dbraw/zinc/71/36/27/623713627.db2.gz LNODRYMGUBTMHH-LRDDRELGSA-N 1 0 322.399 3.119 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c(O)c1 ZINC000876901925 623740510 /nfs/dbraw/zinc/74/05/10/623740510.db2.gz KFJMQSKJNXABJC-UHFFFAOYSA-N 1 0 310.397 3.117 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CC1(F)F ZINC000876944061 623751599 /nfs/dbraw/zinc/75/15/99/623751599.db2.gz XFZXZGBIYLHQAB-WFASDCNBSA-N 1 0 312.429 3.373 20 10 DGCDRO COc1cccc(N2CC[C@H]([NH2+]Cc3c(C)cccc3O)C2)c1 ZINC000877004912 623764503 /nfs/dbraw/zinc/76/45/03/623764503.db2.gz NPCHJDGHMOQZDD-HNNXBMFYSA-N 1 0 312.413 3.078 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000779432630 623770390 /nfs/dbraw/zinc/77/03/90/623770390.db2.gz XXRQHRLMGXKJBB-KDOFPFPSSA-N 1 0 322.424 3.103 20 10 DGCDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000877035154 623771684 /nfs/dbraw/zinc/77/16/84/623771684.db2.gz CXQACIRGMPCISS-GTJPDFRWSA-N 1 0 315.350 3.213 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(OC)c(O)cc2Cl)c1 ZINC000877036004 623772303 /nfs/dbraw/zinc/77/23/03/623772303.db2.gz LZDHNWQTXBEROF-UHFFFAOYSA-N 1 0 323.776 3.058 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000779598372 623780564 /nfs/dbraw/zinc/78/05/64/623780564.db2.gz HCDBJBZJQYMWKW-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877077198 623786037 /nfs/dbraw/zinc/78/60/37/623786037.db2.gz ZDILMFTUEVTDII-GJZGRUSLSA-N 1 0 302.462 3.172 20 10 DGCDRO CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(N)cc1 ZINC000877077400 623786138 /nfs/dbraw/zinc/78/61/38/623786138.db2.gz GQXZRZHOMYKJAO-IBGZPJMESA-N 1 0 323.440 3.286 20 10 DGCDRO COCCCOc1cccc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877112750 623793161 /nfs/dbraw/zinc/79/31/61/623793161.db2.gz UHAPBJACFCCTJM-UHFFFAOYSA-N 1 0 315.413 3.406 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c(O)c1 ZINC000877375004 623861416 /nfs/dbraw/zinc/86/14/16/623861416.db2.gz QVNJYYPPVKDBCT-KRWDZBQOSA-N 1 0 305.805 3.351 20 10 DGCDRO CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1ccc(F)c(C)c1 ZINC000877453799 623890226 /nfs/dbraw/zinc/89/02/26/623890226.db2.gz HUKIUFOPXCEPDM-UHFFFAOYSA-N 1 0 312.388 3.447 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c(O)c1 ZINC000877505867 623916055 /nfs/dbraw/zinc/91/60/55/623916055.db2.gz JFEVUZFGWMRTIJ-ZDUSSCGKSA-N 1 0 308.422 3.094 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCC3(F)CCC3)cc2)CC1 ZINC000877532417 623927159 /nfs/dbraw/zinc/92/71/59/623927159.db2.gz FZQKSKBYVJQETG-UHFFFAOYSA-N 1 0 306.425 3.020 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000877532441 623927350 /nfs/dbraw/zinc/92/73/50/623927350.db2.gz GJJRUOQZNXHYFE-ZFWWWQNUSA-N 1 0 320.433 3.188 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F ZINC000877538912 623933161 /nfs/dbraw/zinc/93/31/61/623933161.db2.gz HTUCXPJMNVPVCH-AWEZNQCLSA-N 1 0 324.415 3.125 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000877545327 623935875 /nfs/dbraw/zinc/93/58/75/623935875.db2.gz FWUMHPAXPXIIJC-AWEZNQCLSA-N 1 0 300.377 3.208 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000877591156 623954896 /nfs/dbraw/zinc/95/48/96/623954896.db2.gz APCJHUYMAVOEJI-INIZCTEOSA-N 1 0 312.457 3.274 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC(F)F ZINC000877604773 623958759 /nfs/dbraw/zinc/95/87/59/623958759.db2.gz RBNGIIYKYBFONN-ZDUSSCGKSA-N 1 0 312.404 3.029 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000877630021 623969194 /nfs/dbraw/zinc/96/91/94/623969194.db2.gz DLCSALJUINHSQD-UWVAXJGDSA-N 1 0 314.473 3.174 20 10 DGCDRO CC[C@@](C)([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877630405 623969469 /nfs/dbraw/zinc/96/94/69/623969469.db2.gz FFZAAAPNWXBYPG-LJQANCHMSA-N 1 0 302.462 3.316 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2OCCCCO)c1 ZINC000877652120 623978970 /nfs/dbraw/zinc/97/89/70/623978970.db2.gz BCUBTQNALFFCRI-UHFFFAOYSA-N 1 0 315.413 3.142 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3CC(c4ccccc4)C3)cc2)CC1 ZINC000877665737 623984274 /nfs/dbraw/zinc/98/42/74/623984274.db2.gz HJVSJAVGEXUFSF-UHFFFAOYSA-N 1 0 322.452 3.247 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)CC2(C)OCCO2)cc1Cl ZINC000877670413 623985238 /nfs/dbraw/zinc/98/52/38/623985238.db2.gz PAMODZAEZRGBSD-NSHDSACASA-N 1 0 313.825 3.233 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000877672488 623987450 /nfs/dbraw/zinc/98/74/50/623987450.db2.gz FYXOIHWSJXVBEO-SJLPKXTDSA-N 1 0 313.397 3.099 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(O[C@H]3CCOC3)cc1)C2 ZINC000877702546 623997610 /nfs/dbraw/zinc/99/76/10/623997610.db2.gz ATKHRIBKPCLFEE-KRWDZBQOSA-N 1 0 311.381 3.076 20 10 DGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702930 623998521 /nfs/dbraw/zinc/99/85/21/623998521.db2.gz KPKSAXJWYVBOAL-CQSZACIVSA-N 1 0 318.417 3.107 20 10 DGCDRO OC1CCN(c2ccc(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)cc2)CC1 ZINC000877718907 624005340 /nfs/dbraw/zinc/00/53/40/624005340.db2.gz YBIDENYKOXGFEI-HDICACEKSA-N 1 0 312.457 3.046 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000877731863 624007782 /nfs/dbraw/zinc/00/77/82/624007782.db2.gz XOLBPBFRODTHHH-HDJSIYSDSA-N 1 0 320.433 3.094 20 10 DGCDRO CN(C)c1cc(F)c(C[NH+]2CCC(C(C)(C)O)CC2)cc1F ZINC000877751888 624018561 /nfs/dbraw/zinc/01/85/61/624018561.db2.gz JXVZEBUGVXTAEZ-UHFFFAOYSA-N 1 0 312.404 3.014 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccccc1O ZINC000877757190 624023184 /nfs/dbraw/zinc/02/31/84/624023184.db2.gz MSECTWUKOKEUTN-ZDUSSCGKSA-N 1 0 310.397 3.152 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c1O ZINC000877779566 624033520 /nfs/dbraw/zinc/03/35/20/624033520.db2.gz YNSDZESJUISFJN-UHFFFAOYSA-N 1 0 312.413 3.224 20 10 DGCDRO COc1cccc(CN2CCC(C)([NH+]3CCCCC3)CC2)c1O ZINC000877795275 624036083 /nfs/dbraw/zinc/03/60/83/624036083.db2.gz FCTIDKSFASIBSR-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC000877810530 624042456 /nfs/dbraw/zinc/04/24/56/624042456.db2.gz VQQHBYWYXSLJDF-UHFFFAOYSA-N 1 0 300.402 3.493 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877824306 624055937 /nfs/dbraw/zinc/05/59/37/624055937.db2.gz QZQWWUQRXACZOY-SWLSCSKDSA-N 1 0 316.367 3.294 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1F ZINC000781533026 624088426 /nfs/dbraw/zinc/08/84/26/624088426.db2.gz WTVWDMCDXDYAHY-GFCCVEGCSA-N 1 0 302.340 3.095 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)cc1OC ZINC000781585832 624099222 /nfs/dbraw/zinc/09/92/22/624099222.db2.gz IRBAAXNLECOQIY-UGSOOPFHSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)cc1OC ZINC000781585828 624099398 /nfs/dbraw/zinc/09/93/98/624099398.db2.gz IRBAAXNLECOQIY-ACJLOTCBSA-N 1 0 305.418 3.422 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000781907422 624169108 /nfs/dbraw/zinc/16/91/08/624169108.db2.gz HYFUXQBGGWAOJH-LLVKDONJSA-N 1 0 314.223 3.074 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3F)cc2)CC1 ZINC000782533113 624261155 /nfs/dbraw/zinc/26/11/55/624261155.db2.gz UZTRVAMEZFZTQO-UHFFFAOYSA-N 1 0 317.383 3.329 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cncc(F)c2)c1O ZINC000783004623 624299488 /nfs/dbraw/zinc/29/94/88/624299488.db2.gz AXOYWGXRTJBPBJ-VIFPVBQESA-N 1 0 306.312 3.119 20 10 DGCDRO CCCC[N@H+](CC(=O)Nc1ccccn1)Cc1ccccc1O ZINC000878565133 624309723 /nfs/dbraw/zinc/30/97/23/624309723.db2.gz IXAHFFBZUSWBAI-UHFFFAOYSA-N 1 0 313.401 3.028 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(Br)cc1O ZINC000783309462 624337470 /nfs/dbraw/zinc/33/74/70/624337470.db2.gz JHLOJHRZLUHTQE-JQWIXIFHSA-N 1 0 312.207 3.498 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOCC3(CC3)C2)cc1F ZINC000783594784 624372574 /nfs/dbraw/zinc/37/25/74/624372574.db2.gz JQKBZCHEFHIDIT-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO Cc1ccnc(OC2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000783593792 624372719 /nfs/dbraw/zinc/37/27/19/624372719.db2.gz HFWKKMKFYKKHMD-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCS[C@@H]3C)CC2)cc1 ZINC000783609566 624374172 /nfs/dbraw/zinc/37/41/72/624374172.db2.gz YONGFBHTSSGGDQ-DYVFJYSZSA-N 1 0 306.475 3.148 20 10 DGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000784005281 624419570 /nfs/dbraw/zinc/41/95/70/624419570.db2.gz KHRJPOOXYKZUKK-INIZCTEOSA-N 1 0 312.413 3.189 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1O ZINC000879648237 624621416 /nfs/dbraw/zinc/62/14/16/624621416.db2.gz FYEMOLAMTREINZ-FZKQIMNGSA-N 1 0 310.397 3.063 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)c1ccccc1O ZINC000879648777 624623012 /nfs/dbraw/zinc/62/30/12/624623012.db2.gz DGYJYGCCIPXEHB-KGLIPLIRSA-N 1 0 304.434 3.222 20 10 DGCDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccccc1O ZINC000879648822 624623126 /nfs/dbraw/zinc/62/31/26/624623126.db2.gz AXYFXNCMWOOSMS-LLVKDONJSA-N 1 0 302.330 3.160 20 10 DGCDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648897 624623162 /nfs/dbraw/zinc/62/31/62/624623162.db2.gz FVSABJYJMPTMMX-CVEARBPZSA-N 1 0 315.413 3.100 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1O ZINC000879650622 624624205 /nfs/dbraw/zinc/62/42/05/624624205.db2.gz KBBIKOKXJJCUHR-JKSUJKDBSA-N 1 0 324.424 3.205 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1O ZINC000879651384 624624337 /nfs/dbraw/zinc/62/43/37/624624337.db2.gz SWICOOPWZOVMNF-VBKZILBWSA-N 1 0 324.424 3.310 20 10 DGCDRO COC(=O)c1oc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1C ZINC000879650614 624624615 /nfs/dbraw/zinc/62/46/15/624624615.db2.gz JRJRIKJVAKZZKV-NWDGAFQWSA-N 1 0 303.358 3.492 20 10 DGCDRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879652020 624626420 /nfs/dbraw/zinc/62/64/20/624626420.db2.gz UCFNYDQDEGDIJY-GJZGRUSLSA-N 1 0 312.413 3.056 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000785446769 624667656 /nfs/dbraw/zinc/66/76/56/624667656.db2.gz UUYLKABKEUIOOM-CQSZACIVSA-N 1 0 306.475 3.007 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000785767086 624730446 /nfs/dbraw/zinc/73/04/46/624730446.db2.gz JOKMJARBMNSTTI-MSOLQXFVSA-N 1 0 302.462 3.391 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](CF)C3)cc2)CC1 ZINC000880238511 624861879 /nfs/dbraw/zinc/86/18/79/624861879.db2.gz TUFLZEVUCWQLLA-QGZVFWFLSA-N 1 0 320.452 3.483 20 10 DGCDRO CCC(O)(CC)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000788260556 625108077 /nfs/dbraw/zinc/10/80/77/625108077.db2.gz CJFXGQZIARLCAX-UHFFFAOYSA-N 1 0 320.477 3.195 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c(O)c1 ZINC000788507889 625201739 /nfs/dbraw/zinc/20/17/39/625201739.db2.gz SUPYIOADKVMTRN-HZPDHXFCSA-N 1 0 315.413 3.100 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccn(CC)c2=O)cc1 ZINC000788523535 625205874 /nfs/dbraw/zinc/20/58/74/625205874.db2.gz DWUIVKJTTAMHGB-UHFFFAOYSA-N 1 0 313.445 3.004 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000788783717 625264415 /nfs/dbraw/zinc/26/44/15/625264415.db2.gz NSFRFCACQFUTFO-IRXDYDNUSA-N 1 0 320.477 3.161 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000788783719 625264889 /nfs/dbraw/zinc/26/48/89/625264889.db2.gz NSFRFCACQFUTFO-SJORKVTESA-N 1 0 320.477 3.161 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000788800846 625270567 /nfs/dbraw/zinc/27/05/67/625270567.db2.gz IORSGGJQZALHIP-ZNMIVQPWSA-N 1 0 305.418 3.391 20 10 DGCDRO Oc1ccc(Cl)c(F)c1CNc1c[nH+]ccc1-n1cccn1 ZINC000790989268 625732217 /nfs/dbraw/zinc/73/22/17/625732217.db2.gz KFSKTRISLOYBQQ-UHFFFAOYSA-N 1 0 318.739 3.378 20 10 DGCDRO C[NH+](C)Cc1ccc(NCc2cc(F)cc(F)c2O)cc1F ZINC000883068968 625915636 /nfs/dbraw/zinc/91/56/36/625915636.db2.gz PARGFTDXQYBCTM-UHFFFAOYSA-N 1 0 310.319 3.483 20 10 DGCDRO Cc1ccnc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000792247959 625931123 /nfs/dbraw/zinc/93/11/23/625931123.db2.gz BKYPCJRIURLQOB-SFHVURJKSA-N 1 0 312.413 3.277 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]4CC[C@@H](C4)C3)cc2)CC1 ZINC000883180541 625957522 /nfs/dbraw/zinc/95/75/22/625957522.db2.gz FLHRPJRZPNPCIH-PIIMJCKOSA-N 1 0 314.473 3.316 20 10 DGCDRO CC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796256056 626032800 /nfs/dbraw/zinc/03/28/00/626032800.db2.gz HMOLHBHHYXOAJW-LJQANCHMSA-N 1 0 310.441 3.110 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C/C=C/c2ccc(F)c(F)c2)c1 ZINC000796306940 626036924 /nfs/dbraw/zinc/03/69/24/626036924.db2.gz GNSMEUDASCRWSX-NSCUHMNNSA-N 1 0 305.324 3.482 20 10 DGCDRO OCCC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000796455113 626051987 /nfs/dbraw/zinc/05/19/87/626051987.db2.gz RZYXZEGRGWAAFE-UHFFFAOYSA-N 1 0 302.462 3.462 20 10 DGCDRO COC(=O)Nc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000796492212 626056166 /nfs/dbraw/zinc/05/61/66/626056166.db2.gz YMABFIAMQGHZKY-UHFFFAOYSA-N 1 0 300.358 3.169 20 10 DGCDRO CN(C)c1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)cc1 ZINC000796675342 626072841 /nfs/dbraw/zinc/07/28/41/626072841.db2.gz MQQPCRWVCFJSHZ-UHFFFAOYSA-N 1 0 315.461 3.300 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)c1 ZINC000797057752 626109196 /nfs/dbraw/zinc/10/91/96/626109196.db2.gz BFUPQNOPWCKTKK-KSMMKXTCSA-N 1 0 315.413 3.482 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(SC)cc2)c1 ZINC000798086366 626193300 /nfs/dbraw/zinc/19/33/00/626193300.db2.gz KRFFSTOVFVYXAV-UHFFFAOYSA-N 1 0 303.427 3.455 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2(CC(=O)OC)CC2)cc1 ZINC000799293740 626284576 /nfs/dbraw/zinc/28/45/76/626284576.db2.gz PNTYDFMIVXAJDR-UHFFFAOYSA-N 1 0 318.461 3.308 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC=C(Br)C1 ZINC000799575331 626310877 /nfs/dbraw/zinc/31/08/77/626310877.db2.gz ULHZVMOITQMXNB-UHFFFAOYSA-N 1 0 319.202 3.425 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)c(O)c1 ZINC000799737051 626326585 /nfs/dbraw/zinc/32/65/85/626326585.db2.gz SYKGJQSPIDBMHV-UHFFFAOYSA-N 1 0 315.417 3.336 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1O ZINC000800287932 626348924 /nfs/dbraw/zinc/34/89/24/626348924.db2.gz CWWRPWGFLIBEBM-OAHLLOKOSA-N 1 0 303.789 3.311 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)c(O)c1 ZINC000800294072 626349362 /nfs/dbraw/zinc/34/93/62/626349362.db2.gz VRSSYYJXVBRNNS-KRWDZBQOSA-N 1 0 305.418 3.230 20 10 DGCDRO COCCOCCCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808687561 626370554 /nfs/dbraw/zinc/37/05/54/626370554.db2.gz NCVAEIMAJPCDEZ-ZDUSSCGKSA-N 1 0 315.841 3.448 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000801546204 626409270 /nfs/dbraw/zinc/40/92/70/626409270.db2.gz JPNLMGFHLYBHII-HZPDHXFCSA-N 1 0 318.461 3.394 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000802656408 626565123 /nfs/dbraw/zinc/56/51/23/626565123.db2.gz KVNPHABMAYUCGG-SFHVURJKSA-N 1 0 301.361 3.472 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000883235305 626618261 /nfs/dbraw/zinc/61/82/61/626618261.db2.gz ZIUIGDZTNDNHFK-WOVMCDHWSA-N 1 0 303.789 3.185 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccoc2)c2c1c(F)ccc2O ZINC000883276987 626633908 /nfs/dbraw/zinc/63/39/08/626633908.db2.gz SELNELLLGWSGNY-UXIGCNINSA-N 1 0 319.376 3.113 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2CCC3(COC3)CC2)cc1 ZINC000883389292 626670201 /nfs/dbraw/zinc/67/02/01/626670201.db2.gz NLVHBCBQTYSIPL-ONEGZZNKSA-N 1 0 300.446 3.315 20 10 DGCDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000806169797 626704320 /nfs/dbraw/zinc/70/43/20/626704320.db2.gz RDXQIXHPSAMCQN-MNOVXSKESA-N 1 0 316.239 3.070 20 10 DGCDRO CC[N@@H+](Cc1cccc(Br)c1[O-])C[C@H]1CCCO1 ZINC000132661736 626733310 /nfs/dbraw/zinc/73/33/10/626733310.db2.gz VYCUGBRSUHZQKM-GFCCVEGCSA-N 1 0 314.223 3.156 20 10 DGCDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000840094531 626756628 /nfs/dbraw/zinc/75/66/28/626756628.db2.gz VAYIAHSIDLQLRG-HNNXBMFYSA-N 1 0 314.429 3.080 20 10 DGCDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(O)cc1C ZINC000840113469 626767508 /nfs/dbraw/zinc/76/75/08/626767508.db2.gz BKCWSNAANRMTDV-ZACQAIPSSA-N 1 0 319.445 3.225 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1C ZINC000840122419 626774365 /nfs/dbraw/zinc/77/43/65/626774365.db2.gz DBUFXZRWMOELNA-BLLLJJGKSA-N 1 0 307.434 3.252 20 10 DGCDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000808423554 626822717 /nfs/dbraw/zinc/82/27/17/626822717.db2.gz QSTFYAIJLOGZEB-KRWDZBQOSA-N 1 0 323.484 3.289 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c(O)c1 ZINC000808444552 626825703 /nfs/dbraw/zinc/82/57/03/626825703.db2.gz IJUDLJLZXOKHTA-SCLBCKFNSA-N 1 0 301.386 3.003 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808682495 626849373 /nfs/dbraw/zinc/84/93/73/626849373.db2.gz RVYZWQWAJPTMNH-RYUDHWBXSA-N 1 0 312.841 3.309 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCNC(=O)C2CCC2)c1O ZINC000808706241 626851616 /nfs/dbraw/zinc/85/16/16/626851616.db2.gz FMSKZDBOPSZMAD-LBPRGKRZSA-N 1 0 324.852 3.311 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000808710417 626852607 /nfs/dbraw/zinc/85/26/07/626852607.db2.gz PVJAFYIFIFZMPU-NSHDSACASA-N 1 0 320.824 3.061 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)c(C)c1OC ZINC000809548774 626919243 /nfs/dbraw/zinc/91/92/43/626919243.db2.gz JEKSUEDWVSPEET-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC(O)C1 ZINC000809639707 626930957 /nfs/dbraw/zinc/93/09/57/626930957.db2.gz OSZPXAXBHOSOJA-UHFFFAOYSA-N 1 0 322.452 3.204 20 10 DGCDRO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000809690620 626936913 /nfs/dbraw/zinc/93/69/13/626936913.db2.gz AQLSPRMHHGTYDY-INIZCTEOSA-N 1 0 320.433 3.273 20 10 DGCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000809697793 626937884 /nfs/dbraw/zinc/93/78/84/626937884.db2.gz OPFDDKQYESWXEW-KRWDZBQOSA-N 1 0 301.478 3.203 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2cnn3ccccc23)c1O ZINC000809700442 626938606 /nfs/dbraw/zinc/93/86/06/626938606.db2.gz GVUNMHBSEMIALC-UHFFFAOYSA-N 1 0 301.777 3.292 20 10 DGCDRO COC[C@@H](CC(C)C)[NH2+]Cc1cc(Br)ccc1O ZINC000809713399 626940096 /nfs/dbraw/zinc/94/00/96/626940096.db2.gz OVUFZEZXRLUQND-CYBMUJFWSA-N 1 0 316.239 3.305 20 10 DGCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000809726865 626942550 /nfs/dbraw/zinc/94/25/50/626942550.db2.gz WOGOCWRJJIQKMH-HNNXBMFYSA-N 1 0 324.396 3.022 20 10 DGCDRO C[NH+](C)CCN(Cc1cc(F)ccc1O)Cc1ccccc1F ZINC000809732157 626943265 /nfs/dbraw/zinc/94/32/65/626943265.db2.gz FDZWVSUNJHYQJC-UHFFFAOYSA-N 1 0 320.383 3.234 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](COC)OC)c1ccc(C(F)(F)F)cc1O ZINC000810236102 626991232 /nfs/dbraw/zinc/99/12/32/626991232.db2.gz YLQUPXZTWQQQKS-DGCLKSJQSA-N 1 0 321.339 3.113 20 10 DGCDRO C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1c([O-])cccc1F ZINC000886548269 627160828 /nfs/dbraw/zinc/16/08/28/627160828.db2.gz ZTWKNQGPTHKFPL-ZNMIVQPWSA-N 1 0 324.440 3.071 20 10 DGCDRO C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1c([O-])cccc1F ZINC000886548268 627161082 /nfs/dbraw/zinc/16/10/82/627161082.db2.gz ZTWKNQGPTHKFPL-RBSFLKMASA-N 1 0 324.440 3.071 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1c([O-])cccc1F ZINC000886642053 627178518 /nfs/dbraw/zinc/17/85/18/627178518.db2.gz ZCGCVMSXEWYIKK-BXKDBHETSA-N 1 0 317.286 3.182 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000886671811 627185697 /nfs/dbraw/zinc/18/56/97/627185697.db2.gz DKHUOLUMPJLAPX-KDOFPFPSSA-N 1 0 316.420 3.146 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000886671810 627185763 /nfs/dbraw/zinc/18/57/63/627185763.db2.gz DKHUOLUMPJLAPX-KBXCAEBGSA-N 1 0 316.420 3.146 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)[C@H]1CCCOC1 ZINC000886788587 627204486 /nfs/dbraw/zinc/20/44/86/627204486.db2.gz DYJLKODAFZIDRE-VYDXJSESSA-N 1 0 307.434 3.101 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)OC ZINC000811518357 627287186 /nfs/dbraw/zinc/28/71/86/627287186.db2.gz LLXOFVRPRPWRPP-QGZVFWFLSA-N 1 0 315.413 3.486 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000811792602 627322645 /nfs/dbraw/zinc/32/26/45/627322645.db2.gz PZOIYQDOJFRWNA-CRAIPNDOSA-N 1 0 317.429 3.243 20 10 DGCDRO CC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCOC1 ZINC000812296241 627368111 /nfs/dbraw/zinc/36/81/11/627368111.db2.gz NYYPSTAINYSDBX-AWEZNQCLSA-N 1 0 301.386 3.165 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+]CCCCF)ccc1N1CCCCC1 ZINC000812772112 627418525 /nfs/dbraw/zinc/41/85/25/627418525.db2.gz IKJFVRUPEKDNSU-UHFFFAOYSA-N 1 0 309.385 3.424 20 10 DGCDRO Cn1ncc2ccc(C[NH2+]Cc3cc(Cl)ccc3O)cc21 ZINC000812772087 627418585 /nfs/dbraw/zinc/41/85/85/627418585.db2.gz QFKFNFDRJHECBU-UHFFFAOYSA-N 1 0 301.777 3.222 20 10 DGCDRO COc1cc(O)c(CNc2cc3c(c[nH+]2)CCCC3)cc1OC ZINC000812781905 627419684 /nfs/dbraw/zinc/41/96/84/627419684.db2.gz JTZUJBOCCIEPLM-UHFFFAOYSA-N 1 0 314.385 3.295 20 10 DGCDRO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(C)(C)C ZINC000812893381 627433619 /nfs/dbraw/zinc/43/36/19/627433619.db2.gz SPOHQOVIRZVHGN-UHFFFAOYSA-N 1 0 319.493 3.079 20 10 DGCDRO CCc1nn(C)c(Cl)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000813331508 627478795 /nfs/dbraw/zinc/47/87/95/627478795.db2.gz QDKBJHSZQYZWDW-SNVBAGLBSA-N 1 0 323.824 3.201 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3ccc(C)cn23)c1 ZINC000813332092 627479002 /nfs/dbraw/zinc/47/90/02/627479002.db2.gz ZYXCXJNYFWPSCN-CYBMUJFWSA-N 1 0 311.385 3.208 20 10 DGCDRO C[C@H]([NH2+]C1COCCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000813878711 627518355 /nfs/dbraw/zinc/51/83/55/627518355.db2.gz FPJIIGZPBNYKKI-INIZCTEOSA-N 1 0 318.461 3.133 20 10 DGCDRO CC[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H](C)CO ZINC000814169008 627546065 /nfs/dbraw/zinc/54/60/65/627546065.db2.gz AZJHBPWYZBIXBQ-QGZVFWFLSA-N 1 0 324.468 3.452 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000814178522 627547135 /nfs/dbraw/zinc/54/71/35/627547135.db2.gz SYJIORHVLILSHK-UHFFFAOYSA-N 1 0 316.357 3.334 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1F ZINC000814178221 627547330 /nfs/dbraw/zinc/54/73/30/627547330.db2.gz HUURNVMDUGRNTM-MRXNPFEDSA-N 1 0 306.425 3.140 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)ccc1N(C)C ZINC000815092697 627624902 /nfs/dbraw/zinc/62/49/02/627624902.db2.gz OQQPTTAOARZCRI-APWZRJJASA-N 1 0 312.457 3.315 20 10 DGCDRO Cc1cc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)ccc1N(C)C ZINC000815092699 627625266 /nfs/dbraw/zinc/62/52/66/627625266.db2.gz OQQPTTAOARZCRI-QFBILLFUSA-N 1 0 312.457 3.315 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000815093053 627625851 /nfs/dbraw/zinc/62/58/51/627625851.db2.gz AFRJUALTGBCQBN-LIRRHRJNSA-N 1 0 316.420 3.146 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)ccc1N(C)C ZINC000815101560 627627067 /nfs/dbraw/zinc/62/70/67/627627067.db2.gz AAWHTIFMYDRCBS-QGZVFWFLSA-N 1 0 312.461 3.174 20 10 DGCDRO Cc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1N(C)C ZINC000815118667 627630127 /nfs/dbraw/zinc/63/01/27/627630127.db2.gz QYRMEVIPPBEJTF-QFBILLFUSA-N 1 0 301.478 3.120 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c(O)c1 ZINC000815553893 627683978 /nfs/dbraw/zinc/68/39/78/627683978.db2.gz MQJJTCRALZYAJX-GJZGRUSLSA-N 1 0 313.397 3.500 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnnn1-c1ccccc1 ZINC000924901795 627692065 /nfs/dbraw/zinc/69/20/65/627692065.db2.gz VELVUBQUKAHAOL-CQSZACIVSA-N 1 0 320.396 3.053 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2nccnc2C)c1O ZINC000815651634 627694561 /nfs/dbraw/zinc/69/45/61/627694561.db2.gz YPQITWGEAPEMLD-LLVKDONJSA-N 1 0 305.809 3.346 20 10 DGCDRO Cc1nccnc1CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815651062 627694682 /nfs/dbraw/zinc/69/46/82/627694682.db2.gz JCAPRSXHFWRGGE-HZMBPMFUSA-N 1 0 301.365 3.010 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816477887 627795361 /nfs/dbraw/zinc/79/53/61/627795361.db2.gz NCVOJOUTVPHDMC-MRXNPFEDSA-N 1 0 313.397 3.321 20 10 DGCDRO Cn1nccc1-c1ccccc1C[N@H+](C)Cc1ccccc1O ZINC000816492968 627796509 /nfs/dbraw/zinc/79/65/09/627796509.db2.gz KMCORETZNIJHRZ-UHFFFAOYSA-N 1 0 307.397 3.425 20 10 DGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc4ccccc4c3O)C2)[nH]1 ZINC000816521730 627801995 /nfs/dbraw/zinc/80/19/95/627801995.db2.gz XOGZGPCXOPFEQX-INIZCTEOSA-N 1 0 322.412 3.352 20 10 DGCDRO CC(C)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C[NH+]1CCCC1 ZINC000816591605 627812404 /nfs/dbraw/zinc/81/24/04/627812404.db2.gz IZBRDCWSFUNPAK-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H](C)[S@]1=O ZINC000816608818 627814769 /nfs/dbraw/zinc/81/47/69/627814769.db2.gz KEOGOYBZQDJKHQ-GGRMYQCBSA-N 1 0 317.454 3.277 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1O ZINC000816662466 627821815 /nfs/dbraw/zinc/82/18/15/627821815.db2.gz PZEAIUNOAXCEEF-SFHVURJKSA-N 1 0 307.434 3.021 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c(O)c1 ZINC000816662772 627821904 /nfs/dbraw/zinc/82/19/04/627821904.db2.gz YEWHVRZLMVKERX-GOSISDBHSA-N 1 0 307.434 3.021 20 10 DGCDRO Cc1c(Cl)c(CNCc2ccc(N(C)C)cc2C)nn1C ZINC000817407328 627893818 /nfs/dbraw/zinc/89/38/18/627893818.db2.gz JZCJDGJCPITZLP-UHFFFAOYSA-N 1 0 306.841 3.046 20 10 DGCDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817412702 627895849 /nfs/dbraw/zinc/89/58/49/627895849.db2.gz OIORRRGJWHCWBS-FUHWJXTLSA-N 1 0 302.462 3.127 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)cc1C ZINC000817420566 627898226 /nfs/dbraw/zinc/89/82/26/627898226.db2.gz VVZPUVIJJXCWMF-UHFFFAOYSA-N 1 0 302.422 3.206 20 10 DGCDRO COC1([C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)CCOCC1 ZINC000817419359 627898369 /nfs/dbraw/zinc/89/83/69/627898369.db2.gz GEWLRFNVTASYQE-LBPRGKRZSA-N 1 0 313.825 3.028 20 10 DGCDRO Cc1ccsc1[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938955 627967358 /nfs/dbraw/zinc/96/73/58/627967358.db2.gz WFFPNQSMCIZVLV-XJKSGUPXSA-N 1 0 303.475 3.473 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000817938855 627967871 /nfs/dbraw/zinc/96/78/71/627967871.db2.gz UOKSLRNVTCGJMM-RBUKOAKNSA-N 1 0 313.420 3.169 20 10 DGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCCNC1 ZINC000817942111 627968595 /nfs/dbraw/zinc/96/85/95/627968595.db2.gz WTVRFSKNTMIUPH-PKOBYXMFSA-N 1 0 310.441 3.408 20 10 DGCDRO CSCC1CCC([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000817942345 627969685 /nfs/dbraw/zinc/96/96/85/627969685.db2.gz OISOFGHHVJPDFM-JFUPDXTOSA-N 1 0 321.534 3.264 20 10 DGCDRO CC(C)[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817944141 627969831 /nfs/dbraw/zinc/96/98/31/627969831.db2.gz XOZWQGRAHZERDQ-MOPGFXCFSA-N 1 0 312.461 3.134 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817945722 627970709 /nfs/dbraw/zinc/97/07/09/627970709.db2.gz KHTDIWDQOOKLFM-QWRGUYRKSA-N 1 0 302.340 3.061 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952631 627972075 /nfs/dbraw/zinc/97/20/75/627972075.db2.gz RYNBLUBQXZHACU-BXKDBHETSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@@H](NCC[NH2+]C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817953583 627973668 /nfs/dbraw/zinc/97/36/68/627973668.db2.gz OPTZAKZKTDMQBR-MRXNPFEDSA-N 1 0 301.478 3.470 20 10 DGCDRO C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955132 627974233 /nfs/dbraw/zinc/97/42/33/627974233.db2.gz QTMQFUJSTOSYKQ-VHSXEESVSA-N 1 0 303.233 3.349 20 10 DGCDRO COC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000817957501 627974750 /nfs/dbraw/zinc/97/47/50/627974750.db2.gz MLCXWSYVQNFWTL-QGZVFWFLSA-N 1 0 304.821 3.442 20 10 DGCDRO C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000817962104 627977083 /nfs/dbraw/zinc/97/70/83/627977083.db2.gz GBXWGOMCMZITBP-NEPJUHHUSA-N 1 0 315.373 3.171 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817966284 627977795 /nfs/dbraw/zinc/97/77/95/627977795.db2.gz KJBIRPWRNJOWIG-ABAIWWIYSA-N 1 0 316.367 3.451 20 10 DGCDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000817968063 627978801 /nfs/dbraw/zinc/97/88/01/627978801.db2.gz NXOALRWHXLIBRV-TXPKVOOTSA-N 1 0 301.478 3.326 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969233 627979131 /nfs/dbraw/zinc/97/91/31/627979131.db2.gz AAWDAGMUEPNMFB-VYUIOLGVSA-N 1 0 303.233 3.348 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972046 627979681 /nfs/dbraw/zinc/97/96/81/627979681.db2.gz SREHQZPIAIMDDI-KXUCPTDWSA-N 1 0 303.233 3.490 20 10 DGCDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817972071 627980121 /nfs/dbraw/zinc/98/01/21/627980121.db2.gz JOAFMCDLEPTMFD-CABCVRRESA-N 1 0 307.457 3.465 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c1 ZINC000926966240 627990606 /nfs/dbraw/zinc/99/06/06/627990606.db2.gz ZILJZUKALZMCBV-RISCZKNCSA-N 1 0 304.356 3.234 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c(O)c1 ZINC000927012064 627996820 /nfs/dbraw/zinc/99/68/20/627996820.db2.gz FLZHCKHKXYEKCA-CVEARBPZSA-N 1 0 319.445 3.388 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cccnc3)C2)cc1 ZINC000818115864 627997410 /nfs/dbraw/zinc/99/74/10/627997410.db2.gz CZULBNRESWDNJR-JKSUJKDBSA-N 1 0 311.429 3.267 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H](OC)C3)C2)cc1 ZINC000818222431 628006242 /nfs/dbraw/zinc/00/62/42/628006242.db2.gz SQAJBBSEQZVDHL-GPMSIDNRSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3scnc3C)C2)cc1 ZINC000818221386 628006650 /nfs/dbraw/zinc/00/66/50/628006650.db2.gz LULADVRQGVXUPV-CQSZACIVSA-N 1 0 317.458 3.076 20 10 DGCDRO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000927086362 628010936 /nfs/dbraw/zinc/01/09/36/628010936.db2.gz SOOVEEIXCSASSL-LPHOPBHVSA-N 1 0 318.461 3.133 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCC(OC)CC3)C2)cc1 ZINC000818341638 628015647 /nfs/dbraw/zinc/01/56/47/628015647.db2.gz CJJPGXBWBUIMGM-KLHKWILBSA-N 1 0 318.461 3.069 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(N2CCOCC2)cc1Cl ZINC000818356007 628017674 /nfs/dbraw/zinc/01/76/74/628017674.db2.gz HRFABOQRSHFYGV-MLGOLLRUSA-N 1 0 306.837 3.380 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c(C)c1OC ZINC000927121115 628020711 /nfs/dbraw/zinc/02/07/11/628020711.db2.gz CILVKNZZUQWIRI-OAHLLOKOSA-N 1 0 313.397 3.495 20 10 DGCDRO OC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000927154188 628027450 /nfs/dbraw/zinc/02/74/50/628027450.db2.gz BFSDFCBDLZJYKD-ABSDTBQOSA-N 1 0 309.409 3.062 20 10 DGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819096171 628091412 /nfs/dbraw/zinc/09/14/12/628091412.db2.gz YIPJIADGTKYOGS-LAUBAEHRSA-N 1 0 322.452 3.317 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000819373082 628143704 /nfs/dbraw/zinc/14/37/04/628143704.db2.gz AZELOEUXZWBFLE-JXFKEZNVSA-N 1 0 312.457 3.315 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000821803241 628398788 /nfs/dbraw/zinc/39/87/88/628398788.db2.gz DRQDPQPNRKDOGU-CYBMUJFWSA-N 1 0 323.400 3.035 20 10 DGCDRO CCOc1cccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1O ZINC000822516778 628459800 /nfs/dbraw/zinc/45/98/00/628459800.db2.gz PSRGGNGYAHAQLS-IBGZPJMESA-N 1 0 315.413 3.130 20 10 DGCDRO C[N@H+](Cc1c(O)cccc1Cl)C[C@](C)(O)c1ccccc1 ZINC000822515972 628460232 /nfs/dbraw/zinc/46/02/32/628460232.db2.gz GOQTXUTWZNBRFU-KRWDZBQOSA-N 1 0 305.805 3.385 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000822757242 628490189 /nfs/dbraw/zinc/49/01/89/628490189.db2.gz UIPKNRGWSZLECV-INIZCTEOSA-N 1 0 304.434 3.005 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000823419300 628559736 /nfs/dbraw/zinc/55/97/36/628559736.db2.gz XTNTVWMKSFKABE-KRWDZBQOSA-N 1 0 316.470 3.341 20 10 DGCDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823665847 628585304 /nfs/dbraw/zinc/58/53/04/628585304.db2.gz AWEJGEHDJQMMDD-XJKSGUPXSA-N 1 0 308.516 3.081 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000823697941 628587696 /nfs/dbraw/zinc/58/76/96/628587696.db2.gz PDILZBNTHXUFMP-GOSISDBHSA-N 1 0 300.446 3.336 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1 ZINC000823702680 628588037 /nfs/dbraw/zinc/58/80/37/628588037.db2.gz QRJDZAWBOGHXDC-SFHVURJKSA-N 1 0 320.452 3.455 20 10 DGCDRO CC[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000823757191 628593475 /nfs/dbraw/zinc/59/34/75/628593475.db2.gz IPGZCAOENTUNEK-SJLPKXTDSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1ccc(COCC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000824073511 628624371 /nfs/dbraw/zinc/62/43/71/628624371.db2.gz KYHYEWYEAVCNAD-UHFFFAOYSA-N 1 0 321.804 3.361 20 10 DGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000824376767 628656077 /nfs/dbraw/zinc/65/60/77/628656077.db2.gz NUOQWSHYYPAAKX-CHWSQXEVSA-N 1 0 314.223 3.202 20 10 DGCDRO C[C@@H]1CN(C2CC2)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824445648 628661509 /nfs/dbraw/zinc/66/15/09/628661509.db2.gz JHKXVXVLAYMURB-HNNXBMFYSA-N 1 0 310.441 3.462 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cc(F)cnc2Cl)c(O)c1 ZINC000824537699 628668201 /nfs/dbraw/zinc/66/82/01/628668201.db2.gz HCFPYRNWWSTQNJ-UHFFFAOYSA-N 1 0 310.756 3.268 20 10 DGCDRO COc1cc(CN2CCC([NH+](C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000824575424 628672606 /nfs/dbraw/zinc/67/26/06/628672606.db2.gz DWTTVKOLUYYZQN-UHFFFAOYSA-N 1 0 320.477 3.224 20 10 DGCDRO CCOc1ccc(C[NH2+]CC(C)(C)c2ccccn2)c(O)c1 ZINC000824583258 628673845 /nfs/dbraw/zinc/67/38/45/628673845.db2.gz KFOSEPPPMIJACT-UHFFFAOYSA-N 1 0 300.402 3.253 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000824596179 628675056 /nfs/dbraw/zinc/67/50/56/628675056.db2.gz CDOPXJUNSOYEHH-LBPRGKRZSA-N 1 0 305.809 3.457 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000824636472 628679381 /nfs/dbraw/zinc/67/93/81/628679381.db2.gz QRRXUISUBNFAKA-IEBWSBKVSA-N 1 0 315.388 3.001 20 10 DGCDRO C[C@@]12C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000824703138 628685052 /nfs/dbraw/zinc/68/50/52/628685052.db2.gz WKAHUKAMMLHABV-JYRKZWEQSA-N 1 0 324.468 3.167 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000824715520 628686280 /nfs/dbraw/zinc/68/62/80/628686280.db2.gz LDGNIECBXXPLRB-BZUAXINKSA-N 1 0 309.837 3.479 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c1O ZINC000824765715 628691348 /nfs/dbraw/zinc/69/13/48/628691348.db2.gz OWCNFNOGCPNZGI-ZDUSSCGKSA-N 1 0 304.217 3.464 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(OC)c2ccccc2)c1 ZINC000824780179 628692694 /nfs/dbraw/zinc/69/26/94/628692694.db2.gz HFBJMPHEKSHDLV-IBGZPJMESA-N 1 0 315.413 3.442 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2(CF)CCOCC2)cc1 ZINC000824794743 628694189 /nfs/dbraw/zinc/69/41/89/628694189.db2.gz HSCZUJPKWFRILR-UHFFFAOYSA-N 1 0 308.441 3.389 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000824854548 628700815 /nfs/dbraw/zinc/70/08/15/628700815.db2.gz UVIYLRKZWWHNMA-KGLIPLIRSA-N 1 0 311.809 3.175 20 10 DGCDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000824903211 628704345 /nfs/dbraw/zinc/70/43/45/628704345.db2.gz BQBXZUSQEYRJNZ-CHWSQXEVSA-N 1 0 314.223 3.120 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000824948870 628710109 /nfs/dbraw/zinc/71/01/09/628710109.db2.gz VGPWWARZLKDWQR-MJGOQNOKSA-N 1 0 311.429 3.158 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1C ZINC000824952721 628710181 /nfs/dbraw/zinc/71/01/81/628710181.db2.gz DIUCBTCULKKKPM-MJGOQNOKSA-N 1 0 312.413 3.414 20 10 DGCDRO CC1(C)CC[N@H+](Cc2ccc3ccccc3c2O)CC[S@]1=O ZINC000825023674 628717366 /nfs/dbraw/zinc/71/73/66/628717366.db2.gz GVLFULQSJFNMSF-JOCHJYFZSA-N 1 0 317.454 3.278 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000825087246 628726211 /nfs/dbraw/zinc/72/62/11/628726211.db2.gz YJFOOUJKIYPXCY-SJKOYZFVSA-N 1 0 318.804 3.451 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCOCC23CCCCC3)c1O ZINC000825099052 628727631 /nfs/dbraw/zinc/72/76/31/628727631.db2.gz SLXYMPMOADYQEO-UHFFFAOYSA-N 1 0 305.418 3.326 20 10 DGCDRO CCOc1ccc(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c(O)c1 ZINC000825104179 628728024 /nfs/dbraw/zinc/72/80/24/628728024.db2.gz QEQXVQFTPDDVNC-IRXDYDNUSA-N 1 0 305.418 3.180 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1O ZINC000825142474 628731680 /nfs/dbraw/zinc/73/16/80/628731680.db2.gz SHFQTPJLDGVZFE-MLGOLLRUSA-N 1 0 323.400 3.374 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C2(O)CCCC2)c1 ZINC000825239700 628740852 /nfs/dbraw/zinc/74/08/52/628740852.db2.gz COONOTDXHBZFOK-CYBMUJFWSA-N 1 0 307.434 3.383 20 10 DGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000825265929 628744154 /nfs/dbraw/zinc/74/41/54/628744154.db2.gz GCBFIUPIPZCORJ-QMTHXVAHSA-N 1 0 316.239 3.041 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccccc2)cc1Cl ZINC000825284031 628746148 /nfs/dbraw/zinc/74/61/48/628746148.db2.gz WPMBOEKSPLUXFM-QGZVFWFLSA-N 1 0 305.805 3.351 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000825284009 628746264 /nfs/dbraw/zinc/74/62/64/628746264.db2.gz CSXCMHXEVDCHRJ-AWEZNQCLSA-N 1 0 306.425 3.331 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCOc2ncccc2F)cc1Cl ZINC000825374907 628755050 /nfs/dbraw/zinc/75/50/50/628755050.db2.gz HBNLDDOSGSTIIW-UHFFFAOYSA-N 1 0 310.756 3.057 20 10 DGCDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000825405861 628758293 /nfs/dbraw/zinc/75/82/93/628758293.db2.gz LFSWKKRXGOFWPS-RISCZKNCSA-N 1 0 314.223 3.059 20 10 DGCDRO COc1ccc2c(c1)CCCN2Cc1ccnn1-c1cc[nH+]cc1 ZINC000825462017 628764284 /nfs/dbraw/zinc/76/42/84/628764284.db2.gz WSPLMZDXCFUDEQ-UHFFFAOYSA-N 1 0 320.396 3.229 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(CC(=O)N(C)C)CC2)cc1Cl ZINC000825474308 628765177 /nfs/dbraw/zinc/76/51/77/628765177.db2.gz AFPSHVHVLGRISM-UHFFFAOYSA-N 1 0 324.852 3.044 20 10 DGCDRO Cc1cc(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1Cl ZINC000825885141 628806868 /nfs/dbraw/zinc/80/68/68/628806868.db2.gz DGAADLAAVHADHQ-DZGCQCFKSA-N 1 0 308.853 3.413 20 10 DGCDRO COCC[N@H+](Cc1ccccn1)Cc1cc(Cl)c(C)cc1O ZINC000825903949 628809209 /nfs/dbraw/zinc/80/92/09/628809209.db2.gz YAUHTPTXQWCWGG-UHFFFAOYSA-N 1 0 320.820 3.398 20 10 DGCDRO CC(C)[N@H+](Cc1ccc(Br)cc1O)[C@H]1CCOC1 ZINC000825955263 628815024 /nfs/dbraw/zinc/81/50/24/628815024.db2.gz JDRMIPZUZWDOPO-ZDUSSCGKSA-N 1 0 314.223 3.154 20 10 DGCDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000826043696 628822804 /nfs/dbraw/zinc/82/28/04/628822804.db2.gz OQWIBBJQYDQVLY-GUYCJALGSA-N 1 0 321.461 3.291 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCCc3c(cnn3C)C2)cc1Cl ZINC000826120403 628829246 /nfs/dbraw/zinc/82/92/46/628829246.db2.gz CYEFYKITBISFTP-UHFFFAOYSA-N 1 0 305.809 3.036 20 10 DGCDRO Fc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)ccc1N1CCOCC1 ZINC000826538643 628857581 /nfs/dbraw/zinc/85/75/81/628857581.db2.gz HWNHFNCFSBRQRB-RDJZCZTQSA-N 1 0 304.409 3.037 20 10 DGCDRO COCC1([NH2+]Cc2ccc(Br)cc2O)CCCC1 ZINC000826834797 628893025 /nfs/dbraw/zinc/89/30/25/628893025.db2.gz XKLPEODQPJNGAR-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO COc1cc(O)c(C[NH2+]CCc2ccc(C)c(C)c2)cc1OC ZINC000827094955 628921423 /nfs/dbraw/zinc/92/14/23/628921423.db2.gz WXNDOFYIMKTLCC-UHFFFAOYSA-N 1 0 315.413 3.359 20 10 DGCDRO O[C@@]1(C2CC2)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000827151920 628928959 /nfs/dbraw/zinc/92/89/59/628928959.db2.gz NGICXRWTBQHBGI-FQEVSTJZSA-N 1 0 314.473 3.414 20 10 DGCDRO COC1CCN(c2ccc(C[NH+]3C4CCC3CC4)cc2)CC1 ZINC000827395406 628955523 /nfs/dbraw/zinc/95/55/23/628955523.db2.gz IRDADAGPWBBNED-UHFFFAOYSA-N 1 0 300.446 3.429 20 10 DGCDRO Cc1cc(C[NH+]2CCC(CO)CC2)ccc1N1CCCCC1 ZINC000827411185 628956628 /nfs/dbraw/zinc/95/66/28/628956628.db2.gz LFHHNMXAKJJGBS-UHFFFAOYSA-N 1 0 302.462 3.190 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000827639571 628978892 /nfs/dbraw/zinc/97/88/92/628978892.db2.gz KMBNGLKIPLXOLU-GOSISDBHSA-N 1 0 313.397 3.444 20 10 DGCDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827662065 628980973 /nfs/dbraw/zinc/98/09/73/628980973.db2.gz MFKHGFJPBMYDDO-INIZCTEOSA-N 1 0 304.478 3.420 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC000827692383 628983418 /nfs/dbraw/zinc/98/34/18/628983418.db2.gz IIXVKAJMRAJELX-BFUOFWGJSA-N 1 0 321.461 3.149 20 10 DGCDRO CCc1cc(N2CCN(c3ccc(OC)c(F)c3)CC2)cc[nH+]1 ZINC000827740051 628987218 /nfs/dbraw/zinc/98/72/18/628987218.db2.gz VBEUOXMUKPJYAF-UHFFFAOYSA-N 1 0 315.392 3.118 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000827750161 628988317 /nfs/dbraw/zinc/98/83/17/628988317.db2.gz AILGYSJMHCWSNC-GDBMZVCRSA-N 1 0 311.809 3.257 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cc(OCC)ccc1O ZINC000827752138 628988559 /nfs/dbraw/zinc/98/85/59/628988559.db2.gz ZGZVYPZLKOQJLL-WMZOPIPTSA-N 1 0 321.417 3.002 20 10 DGCDRO CCC[C@@H](O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000827945190 629006510 /nfs/dbraw/zinc/00/65/10/629006510.db2.gz RCUFKWJMOMLJGA-CYBMUJFWSA-N 1 0 316.239 3.138 20 10 DGCDRO C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1O ZINC000827969827 629010003 /nfs/dbraw/zinc/01/00/03/629010003.db2.gz RUWQUUDFMDCBRN-AWEZNQCLSA-N 1 0 304.434 3.082 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1O ZINC000828893378 629106273 /nfs/dbraw/zinc/10/62/73/629106273.db2.gz JVQRJPQCOSMDOO-SUMWQHHRSA-N 1 0 321.392 3.125 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2CCO)ccc1N1CCCCC1 ZINC000828988002 629117556 /nfs/dbraw/zinc/11/75/56/629117556.db2.gz PHDNGYPNCQYZEE-SFHVURJKSA-N 1 0 302.462 3.332 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](SC)C3)cc2)CC1 ZINC000830888993 629316173 /nfs/dbraw/zinc/31/61/73/629316173.db2.gz LJHJRLUNWOPLFV-GOSISDBHSA-N 1 0 320.502 3.239 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1N(C)C ZINC000831166524 629345541 /nfs/dbraw/zinc/34/55/41/629345541.db2.gz UACDZQPAMOKVNI-UHOSZYNNSA-N 1 0 302.462 3.186 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1O ZINC000831322632 629362650 /nfs/dbraw/zinc/36/26/50/629362650.db2.gz XJMSASLOJFWCBS-KBRIMQKVSA-N 1 0 321.392 3.027 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCC2CCCC2)cc1 ZINC000832266002 629457247 /nfs/dbraw/zinc/45/72/47/629457247.db2.gz CKYBRJIPHHHDTI-GOSISDBHSA-N 1 0 317.477 3.229 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000834453031 629713001 /nfs/dbraw/zinc/71/30/01/629713001.db2.gz MWUPECFVLPFTNR-NSHDSACASA-N 1 0 319.836 3.215 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834761966 629774694 /nfs/dbraw/zinc/77/46/94/629774694.db2.gz WLKBWKVIZWWGOX-GOEBONIOSA-N 1 0 301.386 3.210 20 10 DGCDRO OC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000834802980 629782056 /nfs/dbraw/zinc/78/20/56/629782056.db2.gz HPUAYENINLTAJJ-GOEBONIOSA-N 1 0 317.816 3.399 20 10 DGCDRO OC[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)C[C@@H]1c1ccccc1 ZINC000834803016 629782236 /nfs/dbraw/zinc/78/22/36/629782236.db2.gz IGUZGZSFSIUMHX-FUHIMQAGSA-N 1 0 309.409 3.135 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000834822334 629784146 /nfs/dbraw/zinc/78/41/46/629784146.db2.gz WXVCFNWWZMBHJN-RYUDHWBXSA-N 1 0 319.836 3.213 20 10 DGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)Cc1ccccc1 ZINC000834857052 629791473 /nfs/dbraw/zinc/79/14/73/629791473.db2.gz YLDBOEYZJBXBFF-BBRMVZONSA-N 1 0 303.377 3.440 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cc(Br)ccc1O ZINC000834875042 629794811 /nfs/dbraw/zinc/79/48/11/629794811.db2.gz KMMGERBPEKWNDJ-ZANVPECISA-N 1 0 314.223 3.373 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1OC)c1cc(Cl)ccc1O ZINC000834880521 629796280 /nfs/dbraw/zinc/79/62/80/629796280.db2.gz IZQFNRMSBGQLOM-DIOULYMOSA-N 1 0 313.825 3.138 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1cc(F)ccc1O ZINC000834890097 629798702 /nfs/dbraw/zinc/79/87/02/629798702.db2.gz CWXFBLWNFOGIMB-XLWVJDPXSA-N 1 0 316.376 3.497 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000834896766 629800956 /nfs/dbraw/zinc/80/09/56/629800956.db2.gz NOCJJTXWPZIOJB-VXGBXAGGSA-N 1 0 307.825 3.369 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC ZINC000834909766 629806549 /nfs/dbraw/zinc/80/65/49/629806549.db2.gz ATGNGCNLOXEEJI-YJBOKZPZSA-N 1 0 317.477 3.242 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCc3cccc(O)c32)cc1C ZINC000834910137 629806969 /nfs/dbraw/zinc/80/69/69/629806969.db2.gz FRFVTJLHHOOLIW-QZTJIDSGSA-N 1 0 311.425 3.190 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccccc1O ZINC000834912584 629807694 /nfs/dbraw/zinc/80/76/94/629807694.db2.gz SMCSUQIPPGUYRR-ZFWWWQNUSA-N 1 0 313.401 3.164 20 10 DGCDRO CCC1(CO)CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835026521 629827306 /nfs/dbraw/zinc/82/73/06/629827306.db2.gz UEQIBAHDMPVGQE-WAYWQWQTSA-N 1 0 302.462 3.250 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000835025803 629827526 /nfs/dbraw/zinc/82/75/26/629827526.db2.gz NPLVQYMPIUPLEF-IVZVJUQRSA-N 1 0 310.445 3.369 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000835024879 629828070 /nfs/dbraw/zinc/82/80/70/629828070.db2.gz AHSGZNBZIYEMFR-MJICGBHWSA-N 1 0 324.472 3.379 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)CCc2nccs2)cc1 ZINC000835028158 629829161 /nfs/dbraw/zinc/82/91/61/629829161.db2.gz JJXVXFFQSXHXSE-SNAWJCMRSA-N 1 0 301.459 3.397 20 10 DGCDRO Cc1nccn1C[C@H](C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035522 629830257 /nfs/dbraw/zinc/83/02/57/629830257.db2.gz IVWCBYFTQRORQC-OGZRUICASA-N 1 0 312.461 3.197 20 10 DGCDRO Cc1ccccc1[C@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835038474 629831388 /nfs/dbraw/zinc/83/13/88/629831388.db2.gz ATZGVWGCRGRSCS-LQOHYYORSA-N 1 0 310.441 3.397 20 10 DGCDRO C[C@H](COCC(F)(F)F)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036561 629831436 /nfs/dbraw/zinc/83/14/36/629831436.db2.gz LUQPVPHPXUQSFJ-DSYXLKISSA-N 1 0 316.367 3.323 20 10 DGCDRO Cc1nccn1CCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041513 629831973 /nfs/dbraw/zinc/83/19/73/629831973.db2.gz XUBDEOZZLGIDMY-VOTSOKGWSA-N 1 0 312.461 3.341 20 10 DGCDRO CSC1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCOCC1 ZINC000835041317 629832292 /nfs/dbraw/zinc/83/22/92/629832292.db2.gz BAJZMUXKDMAOIQ-SNAWJCMRSA-N 1 0 320.502 3.268 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(CO)CCCCC2)cc1 ZINC000835043332 629832755 /nfs/dbraw/zinc/83/27/55/629832755.db2.gz OZAVSPWSSMQQTI-SREVYHEPSA-N 1 0 302.462 3.298 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000835042316 629832786 /nfs/dbraw/zinc/83/27/86/629832786.db2.gz SNXMADHFDIIQPX-YAQIIAKESA-N 1 0 322.452 3.189 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1 ZINC000835042531 629833205 /nfs/dbraw/zinc/83/32/05/629833205.db2.gz JBCNCRGRUXASHS-DUMMIQTOSA-N 1 0 316.445 3.041 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(CCO)CCCC2)cc1 ZINC000835044385 629833672 /nfs/dbraw/zinc/83/36/72/629833672.db2.gz ZHELWCXFYGIIJG-AATRIKPKSA-N 1 0 302.462 3.298 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000835044391 629834144 /nfs/dbraw/zinc/83/41/44/629834144.db2.gz ZKEATWMGWUGNCX-SBUVDCAVSA-N 1 0 308.425 3.014 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000835046720 629834975 /nfs/dbraw/zinc/83/49/75/629834975.db2.gz MGROWFYTGGKNDS-VOSNQSNISA-N 1 0 300.446 3.313 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000835048147 629835522 /nfs/dbraw/zinc/83/55/22/629835522.db2.gz MIOZPVLBXIMLKH-HWKANZROSA-N 1 0 300.446 3.268 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000835047336 629835760 /nfs/dbraw/zinc/83/57/60/629835760.db2.gz GGUQYTFPXLRSFX-OICCZTGUSA-N 1 0 310.388 3.469 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000835048148 629835858 /nfs/dbraw/zinc/83/58/58/629835858.db2.gz MIOZPVLBXIMLKH-HYXAFXHYSA-N 1 0 300.446 3.268 20 10 DGCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000835052402 629836959 /nfs/dbraw/zinc/83/69/59/629836959.db2.gz GIYFUMZIVTWPSM-ADELNMMNSA-N 1 0 310.441 3.478 20 10 DGCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835051811 629837122 /nfs/dbraw/zinc/83/71/22/629837122.db2.gz JYSGVXIFFVVARW-CIHFUWIRSA-N 1 0 302.462 3.391 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000835055537 629838453 /nfs/dbraw/zinc/83/84/53/629838453.db2.gz VTRLDFCJBBDASF-IDXCZYJWSA-N 1 0 314.473 3.391 20 10 DGCDRO CC[C@@H]1C[N@H+](CC)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835054959 629838510 /nfs/dbraw/zinc/83/85/10/629838510.db2.gz OMMYGPAUZARBMF-LKGOPFMKSA-N 1 0 301.478 3.182 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000835054664 629838725 /nfs/dbraw/zinc/83/87/25/629838725.db2.gz LZCBAWLLDHLVDS-XFHJGTJQSA-N 1 0 302.462 3.249 20 10 DGCDRO CC(C)[N@@H+]1CC[C@@H](N(C)C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835054613 629839008 /nfs/dbraw/zinc/83/90/08/629839008.db2.gz LOHBLQFXOABURE-LIXSYLKWSA-N 1 0 301.478 3.180 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c1 ZINC000835077030 629845318 /nfs/dbraw/zinc/84/53/18/629845318.db2.gz NZMVOABWSWBDQE-UHFFFAOYSA-N 1 0 317.433 3.183 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c1O ZINC000835085971 629847732 /nfs/dbraw/zinc/84/77/32/629847732.db2.gz ADWVOYQVHJAYNT-MFKMUULPSA-N 1 0 314.223 3.120 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]1C ZINC000840714890 630351279 /nfs/dbraw/zinc/35/12/79/630351279.db2.gz NHBXMZJTJHEHEO-LXZKKBNFSA-N 1 0 306.425 3.187 20 10 DGCDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000840837817 630364999 /nfs/dbraw/zinc/36/49/99/630364999.db2.gz VUPCCWUWVJVZPK-MNOVXSKESA-N 1 0 316.239 3.478 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@@H](C)O[C@@H]3C)CC2)cc1 ZINC000840872324 630370331 /nfs/dbraw/zinc/37/03/31/630370331.db2.gz KNKZXJBVEMUSHJ-OAGGEKHMSA-N 1 0 318.461 3.067 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000840879643 630370974 /nfs/dbraw/zinc/37/09/74/630370974.db2.gz FRBMBTHYJPWVFS-DGCLKSJQSA-N 1 0 307.340 3.097 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000840879644 630371323 /nfs/dbraw/zinc/37/13/23/630371323.db2.gz FRBMBTHYJPWVFS-WCQYABFASA-N 1 0 307.340 3.097 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2ccccc2F)c(Cl)c1 ZINC000840882071 630371668 /nfs/dbraw/zinc/37/16/68/630371668.db2.gz LZATVGYBWRILRC-INIZCTEOSA-N 1 0 309.768 3.316 20 10 DGCDRO CCN1CCC([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840892570 630373605 /nfs/dbraw/zinc/37/36/05/630373605.db2.gz BGNDIRYYGWAHQE-MRXNPFEDSA-N 1 0 303.494 3.066 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)c2cccnc2)c1 ZINC000840892066 630373908 /nfs/dbraw/zinc/37/39/08/630373908.db2.gz NDSVKFUGIMJRTL-ZDUSSCGKSA-N 1 0 300.402 3.424 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000840893817 630373937 /nfs/dbraw/zinc/37/39/37/630373937.db2.gz MGZIYRRWWVCJOB-HUUCEWRRSA-N 1 0 300.450 3.076 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000840893388 630373977 /nfs/dbraw/zinc/37/39/77/630373977.db2.gz IYDKLYWBNNTDJG-BQFCYCMXSA-N 1 0 315.505 3.207 20 10 DGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840895335 630374611 /nfs/dbraw/zinc/37/46/11/630374611.db2.gz XEUKTUVSURVOHA-CABCVRRESA-N 1 0 314.477 3.385 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(Cl)c1 ZINC000840897262 630374659 /nfs/dbraw/zinc/37/46/59/630374659.db2.gz LLYKVQKYMJUCJY-QWHCGFSZSA-N 1 0 324.852 3.091 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cc2c(cc1O)CCCC2 ZINC000840895423 630374722 /nfs/dbraw/zinc/37/47/22/630374722.db2.gz LRNBEAAHXAZSIL-ZQIUZPCESA-N 1 0 303.446 3.473 20 10 DGCDRO COC(=O)C1CCC([NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840895200 630374731 /nfs/dbraw/zinc/37/47/31/630374731.db2.gz YGYSANPAKFTLJY-UHFFFAOYSA-N 1 0 311.809 3.175 20 10 DGCDRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840908896 630376498 /nfs/dbraw/zinc/37/64/98/630376498.db2.gz YWMQOUFQQVPTFB-UHFFFAOYSA-N 1 0 321.852 3.427 20 10 DGCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840913422 630377277 /nfs/dbraw/zinc/37/72/77/630377277.db2.gz WBIJECHDHSWVJG-CYBMUJFWSA-N 1 0 324.852 3.092 20 10 DGCDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N(C)C)cc1C ZINC000840920133 630378731 /nfs/dbraw/zinc/37/87/31/630378731.db2.gz CHNIYGSNYQGMDN-MJGOQNOKSA-N 1 0 301.478 3.120 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000840934542 630380497 /nfs/dbraw/zinc/38/04/97/630380497.db2.gz SAAPRDFPPCPGFK-GOSISDBHSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000840946073 630381913 /nfs/dbraw/zinc/38/19/13/630381913.db2.gz DZOYMFDQMNHWLS-ROUUACIJSA-N 1 0 302.462 3.450 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000840946582 630381941 /nfs/dbraw/zinc/38/19/41/630381941.db2.gz SFHULAKCPOXEOA-APWZRJJASA-N 1 0 301.478 3.120 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000840951066 630383673 /nfs/dbraw/zinc/38/36/73/630383673.db2.gz XZSINFLFPXVLMJ-FQEVSTJZSA-N 1 0 312.457 3.096 20 10 DGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000840955906 630384003 /nfs/dbraw/zinc/38/40/03/630384003.db2.gz AIBHUKZUJXWJCM-MJGOQNOKSA-N 1 0 314.404 3.294 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000840956126 630385446 /nfs/dbraw/zinc/38/54/46/630385446.db2.gz DDPXPRVMJYXPHP-AEFFLSMTSA-N 1 0 313.397 3.099 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](O)C(C)C ZINC000840967161 630388243 /nfs/dbraw/zinc/38/82/43/630388243.db2.gz MDVPIHLDKGKQGV-GXTWGEPZSA-N 1 0 316.239 3.040 20 10 DGCDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCc1ccc(N)cc1 ZINC000841034197 630399190 /nfs/dbraw/zinc/39/91/90/630399190.db2.gz GNQBCSPRSAIKEL-AWEZNQCLSA-N 1 0 312.413 3.151 20 10 DGCDRO Nc1ccc(CC[NH2+]Cc2c(C3CC3)nc3sccn23)cc1 ZINC000841035814 630399967 /nfs/dbraw/zinc/39/99/67/630399967.db2.gz ORRVUMUBCBXTQS-UHFFFAOYSA-N 1 0 312.442 3.188 20 10 DGCDRO CCc1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000841042384 630401327 /nfs/dbraw/zinc/40/13/27/630401327.db2.gz JBCHRBZQMKLENE-QGZVFWFLSA-N 1 0 303.475 3.166 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000841045807 630402057 /nfs/dbraw/zinc/40/20/57/630402057.db2.gz QOHAQUJQWVHQDV-JENIJYKNSA-N 1 0 301.478 3.311 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000841081478 630405358 /nfs/dbraw/zinc/40/53/58/630405358.db2.gz WMFJVGPQGFUOCM-NSHDSACASA-N 1 0 315.255 3.070 20 10 DGCDRO Oc1ccc(Cl)c(F)c1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841083619 630405893 /nfs/dbraw/zinc/40/58/93/630405893.db2.gz VKZCJVCYRKTFCQ-UHFFFAOYSA-N 1 0 322.767 3.279 20 10 DGCDRO CN(C)c1ccc(CN[C@H]2CC[NH2+]C2(C)C)c(C(F)(F)F)c1 ZINC000841085423 630406222 /nfs/dbraw/zinc/40/62/22/630406222.db2.gz BXKDKZNWXLVABX-AWEZNQCLSA-N 1 0 315.383 3.002 20 10 DGCDRO CCc1ccccc1[C@@H](N)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841086841 630406242 /nfs/dbraw/zinc/40/62/42/630406242.db2.gz NGLZAARRNNBYHI-SFHVURJKSA-N 1 0 315.436 3.244 20 10 DGCDRO CCN(CC)c1ccc(CN[C@H](CC[NH3+])C(F)(F)F)cc1F ZINC000841090074 630406795 /nfs/dbraw/zinc/40/67/95/630406795.db2.gz DULXELCPPPYOOD-CQSZACIVSA-N 1 0 321.362 3.041 20 10 DGCDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841298325 630424610 /nfs/dbraw/zinc/42/46/10/630424610.db2.gz ADTBJRFFWLMIBO-WFASDCNBSA-N 1 0 316.405 3.113 20 10 DGCDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841299453 630424976 /nfs/dbraw/zinc/42/49/76/630424976.db2.gz DNZJDSOALLBMBI-MRXNPFEDSA-N 1 0 304.438 3.045 20 10 DGCDRO C[N@H+](CCCNC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841302263 630425427 /nfs/dbraw/zinc/42/54/27/630425427.db2.gz RNCAGJVNEMKJBV-UHFFFAOYSA-N 1 0 304.438 3.045 20 10 DGCDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(N)cc1 ZINC000841301891 630425625 /nfs/dbraw/zinc/42/56/25/630425625.db2.gz HQUSJZPDLMMSKJ-AWEZNQCLSA-N 1 0 304.438 3.045 20 10 DGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)CC(C)C ZINC000841756121 630462499 /nfs/dbraw/zinc/46/24/99/630462499.db2.gz RBEOLLGQIJOGTL-LPHOPBHVSA-N 1 0 320.477 3.235 20 10 DGCDRO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(Cl)cc1O ZINC000841761817 630462823 /nfs/dbraw/zinc/46/28/23/630462823.db2.gz GWEFPGBJMPDOST-OVWNDWIMSA-N 1 0 303.855 3.243 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c(OC)n1 ZINC000841758054 630462985 /nfs/dbraw/zinc/46/29/85/630462985.db2.gz ROBDTSIYCLLAKR-JTQLQIEISA-N 1 0 322.792 3.309 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCOCC3CCC3)CC2)cc1 ZINC000842148477 630498985 /nfs/dbraw/zinc/49/89/85/630498985.db2.gz FUKJTFLCUZGWRQ-UHFFFAOYSA-N 1 0 318.461 3.024 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000842624342 630554684 /nfs/dbraw/zinc/55/46/84/630554684.db2.gz YSRVXRSWAJHYBZ-INIZCTEOSA-N 1 0 305.381 3.325 20 10 DGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CC2(CCCC2)O1 ZINC000842644657 630557412 /nfs/dbraw/zinc/55/74/12/630557412.db2.gz HBXXMIJJAALQPY-AWEZNQCLSA-N 1 0 312.413 3.474 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CO1 ZINC000842776148 630574946 /nfs/dbraw/zinc/57/49/46/630574946.db2.gz SESBLGMBKGKNAL-CMPLNLGQSA-N 1 0 302.340 3.038 20 10 DGCDRO OCC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000842925205 630594070 /nfs/dbraw/zinc/59/40/70/630594070.db2.gz WVBMTDICQTXUNZ-HOTGVXAUSA-N 1 0 301.361 3.232 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000843044783 630607524 /nfs/dbraw/zinc/60/75/24/630607524.db2.gz JFTAFKNSBIQHNR-AZUAARDMSA-N 1 0 315.505 3.497 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045988 630608382 /nfs/dbraw/zinc/60/83/82/630608382.db2.gz SACSSDKKCSADLR-CZUORRHYSA-N 1 0 308.853 3.318 20 10 DGCDRO Oc1c(F)cccc1CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000843051764 630608632 /nfs/dbraw/zinc/60/86/32/630608632.db2.gz DIZPGDRJPHDTRE-KRWDZBQOSA-N 1 0 314.404 3.286 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843125881 630616641 /nfs/dbraw/zinc/61/66/41/630616641.db2.gz BLHOIQUPNAPKOO-LBPRGKRZSA-N 1 0 312.816 3.006 20 10 DGCDRO Cc1cccc(NC(=O)[C@@H](C)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350239 630648995 /nfs/dbraw/zinc/64/89/95/630648995.db2.gz QOHYDMNZBBBCQV-OAHLLOKOSA-N 1 0 323.440 3.234 20 10 DGCDRO Cc1ccc(CN(C[C@@H](C)[NH3+])c2ccc3c(c2)OCCO3)s1 ZINC000843357225 630649646 /nfs/dbraw/zinc/64/96/46/630649646.db2.gz DAZDANOBUTZTON-GFCCVEGCSA-N 1 0 318.442 3.182 20 10 DGCDRO CCCN(Cc1ccnn1CC(C)C)c1ccc(C[NH3+])cc1 ZINC000843407382 630653281 /nfs/dbraw/zinc/65/32/81/630653281.db2.gz YIOXESNZGHZCOP-UHFFFAOYSA-N 1 0 300.450 3.414 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000843417037 630654239 /nfs/dbraw/zinc/65/42/39/630654239.db2.gz OHUYYSQTPRAXGP-KGLIPLIRSA-N 1 0 322.449 3.482 20 10 DGCDRO C[N@H+](Cc1c(O)cccc1Cl)C[C@]1(O)CCc2ccccc21 ZINC000843422148 630656373 /nfs/dbraw/zinc/65/63/73/630656373.db2.gz VDFSVIBIWGSFBF-GOSISDBHSA-N 1 0 317.816 3.311 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1O ZINC000843431556 630658153 /nfs/dbraw/zinc/65/81/53/630658153.db2.gz HNWVOSYLMZQDRB-CQSZACIVSA-N 1 0 305.418 3.182 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1O ZINC000843431555 630658336 /nfs/dbraw/zinc/65/83/36/630658336.db2.gz HNWVOSYLMZQDRB-AWEZNQCLSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)cc1C ZINC000843433329 630658440 /nfs/dbraw/zinc/65/84/40/630658440.db2.gz XXJFTDFZTAFKGX-SFHVURJKSA-N 1 0 303.446 3.447 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC000843435897 630658867 /nfs/dbraw/zinc/65/88/67/630658867.db2.gz ZQQHQJUDNOQJFK-CQSZACIVSA-N 1 0 305.418 3.324 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCS[C@@H]2C)c1O ZINC000843435202 630658884 /nfs/dbraw/zinc/65/88/84/630658884.db2.gz RBFWGAAXZDVSPV-SKDRFNHKSA-N 1 0 316.264 3.447 20 10 DGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCC[NH3+] ZINC000843486773 630662009 /nfs/dbraw/zinc/66/20/09/630662009.db2.gz VOURSHIPHAPIME-OAHLLOKOSA-N 1 0 312.413 3.221 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843506581 630663511 /nfs/dbraw/zinc/66/35/11/630663511.db2.gz ZELXKPIMRQWLQZ-VXGBXAGGSA-N 1 0 317.408 3.089 20 10 DGCDRO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000105487222 630718427 /nfs/dbraw/zinc/71/84/27/630718427.db2.gz GNWIDNIJLGYLMA-IBGZPJMESA-N 1 0 324.424 3.006 20 10 DGCDRO C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000844920177 630983139 /nfs/dbraw/zinc/98/31/39/630983139.db2.gz KPWAAIONRAAGPY-SECBINFHSA-N 1 0 303.233 3.479 20 10 DGCDRO COc1cccc(C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000846005750 631205191 /nfs/dbraw/zinc/20/51/91/631205191.db2.gz GSWAZJIWRXLXDA-JSGCOSHPSA-N 1 0 321.417 3.095 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)cc1C ZINC000846015719 631206193 /nfs/dbraw/zinc/20/61/93/631206193.db2.gz CXAJMBQRODCRNW-SCLBCKFNSA-N 1 0 303.377 3.360 20 10 DGCDRO C[C@@H](O)[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1ccccc1F ZINC000846018274 631206399 /nfs/dbraw/zinc/20/63/99/631206399.db2.gz SGQDPFRSZKOVON-QLJPJBMISA-N 1 0 309.768 3.396 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c1 ZINC000846044794 631207927 /nfs/dbraw/zinc/20/79/27/631207927.db2.gz QFGIZXUMQNAWEZ-IQUTYRLHSA-N 1 0 315.413 3.348 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H]1C ZINC000846055198 631208325 /nfs/dbraw/zinc/20/83/25/631208325.db2.gz JWEXOJPMPAUULT-MJVIPROJSA-N 1 0 311.809 3.113 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](Cc2cnn(CC)c2)C(C)C)c1 ZINC000846054953 631208442 /nfs/dbraw/zinc/20/84/42/631208442.db2.gz ICVLILMQZYGDNB-UHFFFAOYSA-N 1 0 317.433 3.418 20 10 DGCDRO Cc1nn2c(nc(C)c2C[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000846059067 631208964 /nfs/dbraw/zinc/20/89/64/631208964.db2.gz XQPXWHRRAKENEG-UHFFFAOYSA-N 1 0 322.821 3.056 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H](CO)CCF)cc1 ZINC000846096526 631209439 /nfs/dbraw/zinc/20/94/39/631209439.db2.gz IMUFCFLDAIGTLL-HNNXBMFYSA-N 1 0 322.449 3.195 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccc(C)cc2)c1O ZINC000846135280 631211347 /nfs/dbraw/zinc/21/13/47/631211347.db2.gz CDPDARXCDLYHJU-AWEZNQCLSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1O ZINC000846142428 631211542 /nfs/dbraw/zinc/21/15/42/631211542.db2.gz TWARYYXRBYMPFK-NXEZZACHSA-N 1 0 307.312 3.019 20 10 DGCDRO COc1cccc(CC[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846140688 631211618 /nfs/dbraw/zinc/21/16/18/631211618.db2.gz YLLAYJPVLYNHDV-CYBMUJFWSA-N 1 0 301.386 3.303 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCN(C)C2CCCCC2)c1O ZINC000846142121 631211654 /nfs/dbraw/zinc/21/16/54/631211654.db2.gz BZNWETJOQCDBIF-AWEZNQCLSA-N 1 0 306.450 3.316 20 10 DGCDRO CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846144091 631211904 /nfs/dbraw/zinc/21/19/04/631211904.db2.gz JMJMRFHYBMPDHY-CABCVRRESA-N 1 0 306.450 3.316 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1O ZINC000846146398 631211997 /nfs/dbraw/zinc/21/19/97/631211997.db2.gz QNXPJNIDOGBGBD-GFCCVEGCSA-N 1 0 319.405 3.191 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](OC)c2ccccc2)c1O ZINC000846147005 631212011 /nfs/dbraw/zinc/21/20/11/631212011.db2.gz UQOCEBSUVPPUFG-CXAGYDPISA-N 1 0 301.386 3.439 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c1O ZINC000846146992 631212065 /nfs/dbraw/zinc/21/20/65/631212065.db2.gz UBSLOJPYVSKLDM-CZUORRHYSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)c1O ZINC000846146924 631212136 /nfs/dbraw/zinc/21/21/36/631212136.db2.gz SWYNDLIWUMWJJY-XHDPSFHLSA-N 1 0 313.401 3.227 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccco2)c1O ZINC000846151401 631212244 /nfs/dbraw/zinc/21/22/44/631212244.db2.gz XTDRSYGKEYJPLL-DYEKYZERSA-N 1 0 305.374 3.157 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCCc2c(C)noc2C)c1O ZINC000846151619 631212323 /nfs/dbraw/zinc/21/23/23/631212323.db2.gz ZTKLKMUPIURCDJ-NSHDSACASA-N 1 0 304.390 3.289 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccc(F)cc2F)c1O ZINC000846151498 631212345 /nfs/dbraw/zinc/21/23/45/631212345.db2.gz ZECWUVFMFSTOEC-LLVKDONJSA-N 1 0 323.339 3.409 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC2(CCO)CCCCC2)c1O ZINC000846151516 631212418 /nfs/dbraw/zinc/21/24/18/631212418.db2.gz ZKTSIEJQTKGCJV-AWEZNQCLSA-N 1 0 307.434 3.384 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2N(C)C)c1O ZINC000846154372 631212512 /nfs/dbraw/zinc/21/25/12/631212512.db2.gz LHBOPAHBQDCAIJ-CYBMUJFWSA-N 1 0 300.402 3.318 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c1O ZINC000846156911 631212514 /nfs/dbraw/zinc/21/25/14/631212514.db2.gz PWPLGXOMKPXPPE-DZKIICNBSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)c2sccc2C)c1O ZINC000846155059 631212586 /nfs/dbraw/zinc/21/25/86/631212586.db2.gz RXUCHGUSOZQZPY-AAEUAGOBSA-N 1 0 307.415 3.155 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2cccc(C)c2)c1O ZINC000846156599 631212637 /nfs/dbraw/zinc/21/26/37/631212637.db2.gz NHSIUHCISVCJGD-BBRMVZONSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1O ZINC000846161353 631212797 /nfs/dbraw/zinc/21/27/97/631212797.db2.gz YAXRVQFVVYWUMS-MZTNWIODSA-N 1 0 317.429 3.399 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCN2CCCC(C)(C)C2)c1O ZINC000846163905 631213054 /nfs/dbraw/zinc/21/30/54/631213054.db2.gz CIIKNDMMGSOQKP-AWEZNQCLSA-N 1 0 306.450 3.173 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1O ZINC000846166852 631213248 /nfs/dbraw/zinc/21/32/48/631213248.db2.gz DPFCMSMXYOJRAL-BBRMVZONSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3ccccc3OC2)c1O ZINC000846169043 631213359 /nfs/dbraw/zinc/21/33/59/631213359.db2.gz XOZIAYPSWAIFCR-HIFRSBDPSA-N 1 0 313.397 3.445 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1O ZINC000846168718 631213361 /nfs/dbraw/zinc/21/33/61/631213361.db2.gz UNGZDLTVMRQDOV-CJNGLKHVSA-N 1 0 305.418 3.401 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COc3c(C)cccc3C2)c1O ZINC000846174482 631213522 /nfs/dbraw/zinc/21/35/22/631213522.db2.gz WVFYWXPZEHDURD-HIFRSBDPSA-N 1 0 313.397 3.364 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)CC2CCCCC2)c1O ZINC000846171157 631213664 /nfs/dbraw/zinc/21/36/64/631213664.db2.gz DUPIAPXUEUZNBC-DZGCQCFKSA-N 1 0 307.434 3.383 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000846177716 631213795 /nfs/dbraw/zinc/21/37/95/631213795.db2.gz FILMTLTZOUALIC-HRAATJIYSA-N 1 0 324.468 3.280 20 10 DGCDRO OC[C@@H](CCF)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000846210026 631214985 /nfs/dbraw/zinc/21/49/85/631214985.db2.gz WFFPZWYUZGWFSF-SJLPKXTDSA-N 1 0 317.404 3.376 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])c1O ZINC000846226379 631215807 /nfs/dbraw/zinc/21/58/07/631215807.db2.gz LSUNYZQWXQGEQJ-ZBEGNZNMSA-N 1 0 324.852 3.198 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C)[C@H]2CC[NH3+])c1O ZINC000846226378 631215877 /nfs/dbraw/zinc/21/58/77/631215877.db2.gz LSUNYZQWXQGEQJ-MEDUHNTESA-N 1 0 324.852 3.198 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCCCO1 ZINC000847074711 631397671 /nfs/dbraw/zinc/39/76/71/631397671.db2.gz BTWLJOFSPHMYDR-HZPDHXFCSA-N 1 0 309.381 3.171 20 10 DGCDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000848526417 631678196 /nfs/dbraw/zinc/67/81/96/631678196.db2.gz ZOIJTVZQAVPOKC-MRXNPFEDSA-N 1 0 310.353 3.307 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1ccc(N2CCOCC2)cc1 ZINC000848526611 631678255 /nfs/dbraw/zinc/67/82/55/631678255.db2.gz CFNCJTIJEVIVFB-BFYDXBDKSA-N 1 0 320.502 3.458 20 10 DGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCF)c1O ZINC000848536430 631682795 /nfs/dbraw/zinc/68/27/95/631682795.db2.gz RWYAMRTYBJNUCJ-QMMMGPOBSA-N 1 0 306.175 3.174 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1O ZINC000848558469 631691582 /nfs/dbraw/zinc/69/15/82/631691582.db2.gz QKHMLLKXOOVTTG-CBZIJGRNSA-N 1 0 320.477 3.239 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1O ZINC000848558474 631692073 /nfs/dbraw/zinc/69/20/73/631692073.db2.gz QKHMLLKXOOVTTG-XLMAVXFVSA-N 1 0 320.477 3.239 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c(O)c1 ZINC000848559146 631692770 /nfs/dbraw/zinc/69/27/70/631692770.db2.gz AVHKQJJNTJZUAI-ZWKOTPCHSA-N 1 0 305.418 3.228 20 10 DGCDRO C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000848562303 631693917 /nfs/dbraw/zinc/69/39/17/631693917.db2.gz HLAVHCGPKKWXAK-WVSHTKLVSA-N 1 0 303.233 3.129 20 10 DGCDRO Cc1cnc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)c1 ZINC000848564171 631694737 /nfs/dbraw/zinc/69/47/37/631694737.db2.gz IMUILMCJJBSXJC-UHFFFAOYSA-N 1 0 301.409 3.236 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000848568356 631696404 /nfs/dbraw/zinc/69/64/04/631696404.db2.gz GORKFSLGNMHBTB-JQFCIGGWSA-N 1 0 304.434 3.068 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Cl)ccc1O ZINC000848570168 631696860 /nfs/dbraw/zinc/69/68/60/631696860.db2.gz KEMYMZLLECJMNL-JSGCOSHPSA-N 1 0 324.808 3.070 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)c1O ZINC000848568259 631697221 /nfs/dbraw/zinc/69/72/21/631697221.db2.gz CFTVSVIUGPYGNU-CWRNSKLLSA-N 1 0 304.434 3.068 20 10 DGCDRO CCc1cccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c1O ZINC000848881499 631769926 /nfs/dbraw/zinc/76/99/26/631769926.db2.gz OWPRCVWGZUVBNU-UHFFFAOYSA-N 1 0 318.461 3.035 20 10 DGCDRO CCc1cccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1O ZINC000848887786 631773167 /nfs/dbraw/zinc/77/31/67/631773167.db2.gz FHUSMYJTRMFRCM-UHFFFAOYSA-N 1 0 307.397 3.430 20 10 DGCDRO CCc1cccc(C[NH2+]CCCn2cnc3ccccc32)c1O ZINC000848891304 631774730 /nfs/dbraw/zinc/77/47/30/631774730.db2.gz OQVLNPGJGINPPL-UHFFFAOYSA-N 1 0 309.413 3.484 20 10 DGCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)c(C)o1 ZINC000848895594 631776567 /nfs/dbraw/zinc/77/65/67/631776567.db2.gz OGPGHAIPXYKNPA-UHFFFAOYSA-N 1 0 316.401 3.039 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccccc2OCCOC)c1O ZINC000848895812 631776894 /nfs/dbraw/zinc/77/68/94/631776894.db2.gz YREHACCJWFAOSX-UHFFFAOYSA-N 1 0 315.413 3.270 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2ccn(-c3ccccc3)n2)c1O ZINC000848894904 631777075 /nfs/dbraw/zinc/77/70/75/631777075.db2.gz NKKXNPUSUCWAEO-UHFFFAOYSA-N 1 0 321.424 3.473 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000848901464 631779251 /nfs/dbraw/zinc/77/92/51/631779251.db2.gz SQBWVVFDTQBQFI-VGSWGCGISA-N 1 0 317.454 3.164 20 10 DGCDRO CCc1cccc(C[NH2+]CCN(CC)CCC(F)(F)F)c1O ZINC000848905574 631780994 /nfs/dbraw/zinc/78/09/94/631780994.db2.gz JVIBVUSVXOXDRD-UHFFFAOYSA-N 1 0 318.383 3.319 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000848915829 631785182 /nfs/dbraw/zinc/78/51/82/631785182.db2.gz MKJKXHXPXCVEFO-KSZLIROESA-N 1 0 303.446 3.470 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1O ZINC000848913628 631785809 /nfs/dbraw/zinc/78/58/09/631785809.db2.gz CTSZUIJNZJHBEK-GOSISDBHSA-N 1 0 301.430 3.346 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000848921458 631788389 /nfs/dbraw/zinc/78/83/89/631788389.db2.gz BJVZOHJUKUUZBF-MOPGFXCFSA-N 1 0 302.462 3.498 20 10 DGCDRO CN(Cc1ccc(OCc2ccccc2)cc1O)CC(C)(C)[NH3+] ZINC000849350830 631901372 /nfs/dbraw/zinc/90/13/72/631901372.db2.gz XSOHWWWGVOVYEW-UHFFFAOYSA-N 1 0 314.429 3.140 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H]2CCCCO2)c(O)c(C(C)(C)C)c1 ZINC000850077719 632050597 /nfs/dbraw/zinc/05/05/97/632050597.db2.gz PYFLAQXFUXCGTK-AWEZNQCLSA-N 1 0 307.434 3.357 20 10 DGCDRO COc1cc(C[NH2+]Cc2ccn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850170500 632070021 /nfs/dbraw/zinc/07/00/21/632070021.db2.gz LQWREMATWSTTBF-UHFFFAOYSA-N 1 0 302.418 3.327 20 10 DGCDRO COc1cc(C[NH2+]C2(CO)CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850180336 632073932 /nfs/dbraw/zinc/07/39/32/632073932.db2.gz XBHNMIZJEFNUFP-UHFFFAOYSA-N 1 0 307.434 3.093 20 10 DGCDRO CC[NH+](CC)CCOc1ccccc1NCc1nc(C)c[nH]1 ZINC000850204749 632079362 /nfs/dbraw/zinc/07/93/62/632079362.db2.gz YLQGHECMCBXKEI-UHFFFAOYSA-N 1 0 302.422 3.051 20 10 DGCDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850244752 632092325 /nfs/dbraw/zinc/09/23/25/632092325.db2.gz CJMWRWDEUMCQRW-SGTLLEGYSA-N 1 0 307.434 3.355 20 10 DGCDRO COc1cc(C[NH2+]CC[C@H](C)CCO)c(O)c(C(C)(C)C)c1 ZINC000850312295 632111691 /nfs/dbraw/zinc/11/16/91/632111691.db2.gz HLJBJNKORJFNAJ-ZDUSSCGKSA-N 1 0 309.450 3.197 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850324510 632113739 /nfs/dbraw/zinc/11/37/39/632113739.db2.gz SZMYFORAABEFDR-OTVXOJSOSA-N 1 0 307.434 3.355 20 10 DGCDRO CCC1(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1 ZINC000850346583 632120101 /nfs/dbraw/zinc/12/01/01/632120101.db2.gz HJXHCSWACCVZAI-INIZCTEOSA-N 1 0 318.461 3.070 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccnc3Cl)C2)cc1 ZINC000850345628 632120150 /nfs/dbraw/zinc/12/01/50/632120150.db2.gz GMDFMAMPJLSKLB-AWEZNQCLSA-N 1 0 317.820 3.112 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850362879 632126014 /nfs/dbraw/zinc/12/60/14/632126014.db2.gz SZMYFORAABEFDR-CTYIDZIISA-N 1 0 307.434 3.355 20 10 DGCDRO CC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000850374129 632129714 /nfs/dbraw/zinc/12/97/14/632129714.db2.gz YEULXNUDBNTFPQ-LJQANCHMSA-N 1 0 310.441 3.110 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)cc1F ZINC000850372649 632130154 /nfs/dbraw/zinc/13/01/54/632130154.db2.gz XBUJPBXSRKYKAE-FUHWJXTLSA-N 1 0 300.377 3.160 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c1O ZINC000850374013 632130368 /nfs/dbraw/zinc/13/03/68/632130368.db2.gz GOSGQYMFEIYDDA-JCNLHEQBSA-N 1 0 313.397 3.491 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCc3ccoc3)CC2)cc1 ZINC000850377020 632130847 /nfs/dbraw/zinc/13/08/47/632130847.db2.gz SSRKMVJDYSLSDH-UHFFFAOYSA-N 1 0 300.402 3.089 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCc1cn(C)c2ccccc12 ZINC000850380220 632132959 /nfs/dbraw/zinc/13/29/59/632132959.db2.gz QSCUZQNJPIJHLD-UHFFFAOYSA-N 1 0 310.397 3.225 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC2(O)CCC(C)(C)CC2)c1 ZINC000850393704 632138091 /nfs/dbraw/zinc/13/80/91/632138091.db2.gz FEQPQJKAPQWLIO-UHFFFAOYSA-N 1 0 307.434 3.212 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]CC2=CCCC2)c1O ZINC000850396019 632138889 /nfs/dbraw/zinc/13/88/89/632138889.db2.gz NYVRKCCSNFFIAX-UHFFFAOYSA-N 1 0 312.207 3.363 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCC2SCCS2)cc1F ZINC000850407076 632142097 /nfs/dbraw/zinc/14/20/97/632142097.db2.gz KJMHTWSFCDQPOM-UHFFFAOYSA-N 1 0 300.468 3.178 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC1(C)C ZINC000850406460 632142235 /nfs/dbraw/zinc/14/22/35/632142235.db2.gz HFYNLTPYFPCXFK-KSSFIOAISA-N 1 0 302.462 3.172 20 10 DGCDRO CC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850405749 632142560 /nfs/dbraw/zinc/14/25/60/632142560.db2.gz BZNLNPWQWFEDMW-UHFFFAOYSA-N 1 0 302.462 3.316 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c(O)c1 ZINC000850411589 632144220 /nfs/dbraw/zinc/14/42/20/632144220.db2.gz GCBXEDXFDFINGF-LIRRHRJNSA-N 1 0 315.413 3.045 20 10 DGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000850411997 632144228 /nfs/dbraw/zinc/14/42/28/632144228.db2.gz QRBYNSFOMKIVLL-YVEFUNNKSA-N 1 0 305.805 3.300 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)c1 ZINC000850414278 632145206 /nfs/dbraw/zinc/14/52/06/632145206.db2.gz YFKKCKFXSIGWHX-UHFFFAOYSA-N 1 0 305.418 3.302 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cccc(OC)c2C)c(O)c1 ZINC000850416190 632145952 /nfs/dbraw/zinc/14/59/52/632145952.db2.gz DDMIRQKCYNLUEH-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO C[C@H](O)[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000850419495 632147002 /nfs/dbraw/zinc/14/70/02/632147002.db2.gz FTIIERRDEIXJNE-UGSOOPFHSA-N 1 0 302.393 3.103 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCSCC1)c1ccc(N2CCOCC2)cc1 ZINC000850427889 632149384 /nfs/dbraw/zinc/14/93/84/632149384.db2.gz GKEBPEDMQWNFAO-NVXWUHKLSA-N 1 0 320.502 3.460 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C3CC(CF)(CF)C3)CC2)cc1 ZINC000850429073 632149950 /nfs/dbraw/zinc/14/99/50/632149950.db2.gz AGBNJVGVHXJPCU-UHFFFAOYSA-N 1 0 324.415 3.341 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000850473985 632163380 /nfs/dbraw/zinc/16/33/80/632163380.db2.gz HAVHUXLAJMRTBV-CVEARBPZSA-N 1 0 320.502 3.397 20 10 DGCDRO CON(C)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000850479460 632165214 /nfs/dbraw/zinc/16/52/14/632165214.db2.gz ULPOWKJPYZGEJZ-GOSISDBHSA-N 1 0 314.429 3.149 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1ccccc1O ZINC000850484023 632165800 /nfs/dbraw/zinc/16/58/00/632165800.db2.gz ASNYBICVLXWGEX-GOSISDBHSA-N 1 0 312.413 3.269 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000850484264 632167060 /nfs/dbraw/zinc/16/70/60/632167060.db2.gz FYGLXESRPKOLPD-PJODQICGSA-N 1 0 313.825 3.138 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000850487137 632167869 /nfs/dbraw/zinc/16/78/69/632167869.db2.gz GJQVORLNWIVZII-APWZRJJASA-N 1 0 318.461 3.069 20 10 DGCDRO CCCC[C@@H](COC)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850488902 632168146 /nfs/dbraw/zinc/16/81/46/632168146.db2.gz PDNQXYRPVIPUGU-HOTGVXAUSA-N 1 0 306.450 3.069 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cnccc3C)C2)cc1 ZINC000850489225 632168537 /nfs/dbraw/zinc/16/85/37/632168537.db2.gz SCXFUTDKFGVOME-HZPDHXFCSA-N 1 0 311.429 3.328 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc2ccccc2c1O ZINC000850498774 632171657 /nfs/dbraw/zinc/17/16/57/632171657.db2.gz DAIZTWWHEIAHKX-MKBNYLNASA-N 1 0 308.385 3.494 20 10 DGCDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000850502883 632173244 /nfs/dbraw/zinc/17/32/44/632173244.db2.gz SMHMVDLRERVXST-LISAXSMJSA-N 1 0 321.461 3.226 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1O)c1cccc(OC)c1 ZINC000850515179 632176677 /nfs/dbraw/zinc/17/66/77/632176677.db2.gz UBCCMHJETZWKAD-GUYCJALGSA-N 1 0 301.386 3.439 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1O ZINC000850520870 632178161 /nfs/dbraw/zinc/17/81/61/632178161.db2.gz HWRGGOMVHRMPGK-CABZTGNLSA-N 1 0 305.752 3.429 20 10 DGCDRO C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(N(C)C)cc1 ZINC000850533745 632184293 /nfs/dbraw/zinc/18/42/93/632184293.db2.gz DZGZXXCMDYJIDR-WQVCFCJDSA-N 1 0 310.388 3.218 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2c(C3CC3)cnn2C)c2c1c(F)ccc2O ZINC000850535598 632184849 /nfs/dbraw/zinc/18/48/49/632184849.db2.gz XRRHKDLLUYEDOC-HZMBPMFUSA-N 1 0 315.392 3.480 20 10 DGCDRO COc1ccnc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)c1F ZINC000850537007 632185625 /nfs/dbraw/zinc/18/56/25/632185625.db2.gz LSPLDQTXQPUVNK-KOLCDFICSA-N 1 0 320.339 3.412 20 10 DGCDRO COc1ccnc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1F ZINC000850536722 632185653 /nfs/dbraw/zinc/18/56/53/632185653.db2.gz MYGZWNCABNYOQT-GFCCVEGCSA-N 1 0 304.365 3.403 20 10 DGCDRO C[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1ccc(F)cc1[O-] ZINC000850537425 632185740 /nfs/dbraw/zinc/18/57/40/632185740.db2.gz QSWGTAZXLZJTME-HZMBPMFUSA-N 1 0 305.324 3.325 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3cc(F)ccc3C2)c1 ZINC000850536092 632186188 /nfs/dbraw/zinc/18/61/88/632186188.db2.gz BREUQXCGFAPQEO-RISCZKNCSA-N 1 0 317.360 3.194 20 10 DGCDRO COc1ccnc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1F ZINC000850537006 632186220 /nfs/dbraw/zinc/18/62/20/632186220.db2.gz LSPLDQTXQPUVNK-GXSJLCMTSA-N 1 0 320.339 3.412 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c(O)c1 ZINC000850540583 632186621 /nfs/dbraw/zinc/18/66/21/632186621.db2.gz NHESMJQFDMFLSP-QILLFSRXSA-N 1 0 313.445 3.496 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cc2c(cc1O)CCCC2 ZINC000850547772 632189001 /nfs/dbraw/zinc/18/90/01/632189001.db2.gz WAFZDMJSCDSHDO-UYHISHBKSA-N 1 0 301.430 3.225 20 10 DGCDRO C[C@H]([NH2+]CC1CCC(O)CC1)c1cc2c(cc1O)CCCC2 ZINC000850554047 632190907 /nfs/dbraw/zinc/19/09/07/632190907.db2.gz HIQNPKDUHHNWLT-CBCUQQMYSA-N 1 0 303.446 3.473 20 10 DGCDRO CC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(C)cc1O ZINC000850563384 632195401 /nfs/dbraw/zinc/19/54/01/632195401.db2.gz XCJPOEAHLOGZEP-VQIMIIECSA-N 1 0 321.461 3.309 20 10 DGCDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565101 632195477 /nfs/dbraw/zinc/19/54/77/632195477.db2.gz ACJHVXVBYBKRGH-KXBFYZLASA-N 1 0 302.462 3.316 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCSCC3)cc2)CC1 ZINC000850568869 632197639 /nfs/dbraw/zinc/19/76/39/632197639.db2.gz LTWCEOMYPRTIIW-INIZCTEOSA-N 1 0 320.502 3.023 20 10 DGCDRO C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cc(F)ccc1O ZINC000850572092 632198369 /nfs/dbraw/zinc/19/83/69/632198369.db2.gz AFNKFFBYDJYLRC-GFCCVEGCSA-N 1 0 308.397 3.008 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c1O ZINC000850571762 632198426 /nfs/dbraw/zinc/19/84/26/632198426.db2.gz AFCMEQVGFSMWCF-JKIFEVAISA-N 1 0 315.413 3.216 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1nccn1C ZINC000850572458 632198520 /nfs/dbraw/zinc/19/85/20/632198520.db2.gz KFZZCHFKEOTSRI-NXEZZACHSA-N 1 0 324.222 3.300 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)CC2 ZINC000850580065 632201206 /nfs/dbraw/zinc/20/12/06/632201206.db2.gz GJLUTNQETMGJNZ-HIFRSBDPSA-N 1 0 323.314 3.120 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c1O ZINC000850585485 632203529 /nfs/dbraw/zinc/20/35/29/632203529.db2.gz YPJLPYVBZVWWOZ-OGHNNQOOSA-N 1 0 301.386 3.174 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1COC(C)(C)O1 ZINC000851716497 632472991 /nfs/dbraw/zinc/47/29/91/632472991.db2.gz NKWWIZNMCUEQRB-SFHVURJKSA-N 1 0 318.461 3.260 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1COC(C)(C)O1 ZINC000851716496 632473215 /nfs/dbraw/zinc/47/32/15/632473215.db2.gz NKWWIZNMCUEQRB-GOSISDBHSA-N 1 0 318.461 3.260 20 10 DGCDRO CO[C@H](C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)[C@@H]1CCOC1 ZINC000851732050 632478228 /nfs/dbraw/zinc/47/82/28/632478228.db2.gz HZOMSLWGGLHQIQ-IEBWSBKVSA-N 1 0 320.477 3.015 20 10 DGCDRO Oc1ccccc1C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@@H]1CCCO1 ZINC000851841370 632506816 /nfs/dbraw/zinc/50/68/16/632506816.db2.gz PUKGCEFSOLFVSS-RANZSIQMSA-N 1 0 301.430 3.419 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000184896812 660194320 /nfs/dbraw/zinc/19/43/20/660194320.db2.gz DBFVMEOOQMCXOW-LBPRGKRZSA-N 1 0 315.369 3.023 20 10 DGCDRO CN(Cc1ccccc1)[C@H](C[NH2+]Cc1ccccc1O)C1CC1 ZINC000185222700 660208917 /nfs/dbraw/zinc/20/89/17/660208917.db2.gz IHJJEPVIGNQVSF-LJQANCHMSA-N 1 0 310.441 3.392 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)c1 ZINC000185227411 660210705 /nfs/dbraw/zinc/21/07/05/660210705.db2.gz CZFALPPDSJLXRN-GJZGRUSLSA-N 1 0 306.450 3.172 20 10 DGCDRO C[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1cc(F)ccc1O ZINC000186033326 660262182 /nfs/dbraw/zinc/26/21/82/660262182.db2.gz GSWBSCGKOGLIHC-ZDUSSCGKSA-N 1 0 322.424 3.269 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c1 ZINC000186230387 660350635 /nfs/dbraw/zinc/35/06/35/660350635.db2.gz AHDNILWWKXMFCB-CABCVRRESA-N 1 0 305.418 3.427 20 10 DGCDRO C/C=C(\C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998880478 660401076 /nfs/dbraw/zinc/40/10/76/660401076.db2.gz IBLIMPBJNMTIHV-DRESWSQNSA-N 1 0 316.445 3.050 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc(C)nc3C)CC2)cc1 ZINC000186486849 660447370 /nfs/dbraw/zinc/44/73/70/660447370.db2.gz PMECMHJNPMGVLX-UHFFFAOYSA-N 1 0 311.429 3.029 20 10 DGCDRO COc1cccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1O ZINC000076904257 660475032 /nfs/dbraw/zinc/47/50/32/660475032.db2.gz JBXQJMLWESIXLC-UHFFFAOYSA-N 1 0 306.431 3.499 20 10 DGCDRO CO[C@@](C)(C[NH2+]Cc1ccccc1O)COCc1ccccc1 ZINC000702820087 660742181 /nfs/dbraw/zinc/74/21/81/660742181.db2.gz SBDKMFOVCYHANP-IBGZPJMESA-N 1 0 315.413 3.104 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000706406939 660856975 /nfs/dbraw/zinc/85/69/75/660856975.db2.gz MAWLXPNVZJBCFV-QWHCGFSZSA-N 1 0 308.422 3.298 20 10 DGCDRO COC(C)(C)C[N@H+](C)Cc1c(O)cccc1Br ZINC000707142142 660887502 /nfs/dbraw/zinc/88/75/02/660887502.db2.gz GJGOJRMFUNBVAK-UHFFFAOYSA-N 1 0 302.212 3.012 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2(CO)CCC2)c(C(F)(F)F)c1 ZINC000793075580 661003704 /nfs/dbraw/zinc/00/37/04/661003704.db2.gz DTQPPJRNNOGAOL-UHFFFAOYSA-N 1 0 316.367 3.024 20 10 DGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000792920762 660993818 /nfs/dbraw/zinc/99/38/18/660993818.db2.gz BEIPPEOGCYKGRM-WMZOPIPTSA-N 1 0 320.502 3.287 20 10 DGCDRO COCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792951988 660996386 /nfs/dbraw/zinc/99/63/86/660996386.db2.gz NDZXLSPUXVHGOY-NSHDSACASA-N 1 0 304.356 3.286 20 10 DGCDRO Cc1ccccc1-n1nccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000792951958 660996659 /nfs/dbraw/zinc/99/66/59/660996659.db2.gz VYVLOBMMFVCHTO-UHFFFAOYSA-N 1 0 319.408 3.405 20 10 DGCDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793083289 661004005 /nfs/dbraw/zinc/00/40/05/661004005.db2.gz BRXDPUWQVCNKMO-DSYXLKISSA-N 1 0 316.367 3.188 20 10 DGCDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792990194 660998807 /nfs/dbraw/zinc/99/88/07/660998807.db2.gz QZIZTNDHEBBQDH-OAHLLOKOSA-N 1 0 318.383 3.268 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CCO)c(C(F)(F)F)c1 ZINC000793093606 661004663 /nfs/dbraw/zinc/00/46/63/661004663.db2.gz PUERVQUZYZELOU-ZDUSSCGKSA-N 1 0 316.367 3.118 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000793192047 661011861 /nfs/dbraw/zinc/01/18/61/661011861.db2.gz OYHDWTGATJHLQX-QILLFSRXSA-N 1 0 318.461 3.340 20 10 DGCDRO CCOCOc1ccc(C[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000793389081 661029148 /nfs/dbraw/zinc/02/91/48/661029148.db2.gz UZIUVNCVFSNHLZ-UHFFFAOYSA-N 1 0 317.385 3.063 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc3ccccc3nc2OC)c(O)c1 ZINC000793386237 661029196 /nfs/dbraw/zinc/02/91/96/661029196.db2.gz JGYHYJBNHCTRAX-UHFFFAOYSA-N 1 0 324.380 3.247 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H](C2CC2)O1 ZINC000794661319 661096788 /nfs/dbraw/zinc/09/67/88/661096788.db2.gz ZCRXWSVQQYBNAG-DJJJIMSYSA-N 1 0 301.430 3.270 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1C(C)C ZINC000794661302 661097182 /nfs/dbraw/zinc/09/71/82/661097182.db2.gz HDJYCBQYZMVQGV-DNVCBOLYSA-N 1 0 319.445 3.204 20 10 DGCDRO CCCC[N@H+](CCc1cnn(CC)c1)Cc1ccccc1O ZINC000794580803 661092145 /nfs/dbraw/zinc/09/21/45/661092145.db2.gz FFAPVFRZFJUYNN-UHFFFAOYSA-N 1 0 301.434 3.453 20 10 DGCDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCSc1nccs1 ZINC000794800277 661105703 /nfs/dbraw/zinc/10/57/03/661105703.db2.gz BUZRXAJXJJXEIR-GFCCVEGCSA-N 1 0 308.476 3.026 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(C)cc1O ZINC000794794874 661105749 /nfs/dbraw/zinc/10/57/49/661105749.db2.gz RQOAHUCEXTUOOO-CRAIPNDOSA-N 1 0 315.413 3.181 20 10 DGCDRO Cc1ncccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160200981 655526035 /nfs/dbraw/zinc/52/60/35/655526035.db2.gz ASXJYHAZSNUDJY-SFHVURJKSA-N 1 0 312.413 3.277 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](O)c2ccccc2)c1 ZINC000289538153 655631483 /nfs/dbraw/zinc/63/14/83/655631483.db2.gz WPMYQHOAVQNDJQ-DYVFJYSZSA-N 1 0 301.386 3.175 20 10 DGCDRO CCCC[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000158151149 655774716 /nfs/dbraw/zinc/77/47/16/655774716.db2.gz WGHUMUSZOYTXNQ-UHFFFAOYSA-N 1 0 302.212 3.395 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC(C(F)(F)F)CC2)c1O ZINC000178895856 655814258 /nfs/dbraw/zinc/81/42/58/655814258.db2.gz HWDGGHDKTQVZKN-UHFFFAOYSA-N 1 0 303.324 3.484 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1O ZINC000309724040 655879544 /nfs/dbraw/zinc/87/95/44/655879544.db2.gz MZVAMLSBTNOMES-APWZRJJASA-N 1 0 310.441 3.453 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC1(O)CCCC1 ZINC000176954905 655884217 /nfs/dbraw/zinc/88/42/17/655884217.db2.gz CXLPYEVMLIEJMV-UHFFFAOYSA-N 1 0 302.462 3.414 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000715139453 661208608 /nfs/dbraw/zinc/20/86/08/661208608.db2.gz GKTWXCNHAVRGEB-OTVXOJSOSA-N 1 0 320.433 3.094 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1OC ZINC000176981127 655970760 /nfs/dbraw/zinc/97/07/60/655970760.db2.gz BIJCVLASEBSJIZ-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000037156668 661217048 /nfs/dbraw/zinc/21/70/48/661217048.db2.gz GSRWROZQRDOIEC-HNNXBMFYSA-N 1 0 307.825 3.447 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C2CC(OCc3ccccc3)C2)c1 ZINC000716298252 661221663 /nfs/dbraw/zinc/22/16/63/661221663.db2.gz WUQSVNSNBQYYLC-UHFFFAOYSA-N 1 0 313.397 3.238 20 10 DGCDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000180253100 656091996 /nfs/dbraw/zinc/09/19/96/656091996.db2.gz PPLWDIJIROWFRF-IPQOISQHSA-N 1 0 321.417 3.462 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1OC ZINC000181402837 656098780 /nfs/dbraw/zinc/09/87/80/656098780.db2.gz JBJFYXSHUBABNA-CFVMTHIKSA-N 1 0 305.418 3.420 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)c(O)c1 ZINC000186474098 656131920 /nfs/dbraw/zinc/13/19/20/656131920.db2.gz CTRCTRQNFBYCEM-CQSZACIVSA-N 1 0 309.413 3.481 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1O ZINC000188808407 656149267 /nfs/dbraw/zinc/14/92/67/656149267.db2.gz TWQYYHHGWRYAMF-UKRRQHHQSA-N 1 0 317.351 3.274 20 10 DGCDRO Cc1occc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000092438594 656153728 /nfs/dbraw/zinc/15/37/28/656153728.db2.gz FRFDJTVXBMDSRC-UHFFFAOYSA-N 1 0 300.402 3.057 20 10 DGCDRO CC(C)C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000120813193 656199749 /nfs/dbraw/zinc/19/97/49/656199749.db2.gz YZUGRNOVXQQDDH-UHFFFAOYSA-N 1 0 316.367 3.288 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000724943321 656530533 /nfs/dbraw/zinc/53/05/33/656530533.db2.gz NPUORPFEHXCHDU-STQMWFEESA-N 1 0 306.406 3.052 20 10 DGCDRO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000236973825 657027359 /nfs/dbraw/zinc/02/73/59/657027359.db2.gz HRRIENRDMWBKFM-MOPGFXCFSA-N 1 0 301.478 3.249 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCCC2 ZINC000236998897 657041009 /nfs/dbraw/zinc/04/10/09/657041009.db2.gz OYUMKYPDAJTNEJ-ROUUACIJSA-N 1 0 301.430 3.449 20 10 DGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc(C)cc(OC)c1O)CC2 ZINC000178866855 657093565 /nfs/dbraw/zinc/09/35/65/657093565.db2.gz OSJZQIBYJPEBLE-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO CCCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001047680958 657304276 /nfs/dbraw/zinc/30/42/76/657304276.db2.gz NZWCYMMKJXMVSN-WBVHZDCISA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000237221859 657385799 /nfs/dbraw/zinc/38/57/99/657385799.db2.gz SVQXTIAWTYLWLD-CQSZACIVSA-N 1 0 315.413 3.439 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1O ZINC000320188095 657430464 /nfs/dbraw/zinc/43/04/64/657430464.db2.gz OZGKWRAXXFYHRQ-FZMZJTMJSA-N 1 0 311.385 3.364 20 10 DGCDRO CCC[C@@](C)([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000320249097 657469271 /nfs/dbraw/zinc/46/92/71/657469271.db2.gz PKHKTQKKJIWWJD-LJQANCHMSA-N 1 0 317.477 3.153 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000303268029 657525440 /nfs/dbraw/zinc/52/54/40/657525440.db2.gz FVYOKSWSBHEVBD-RHSMWYFYSA-N 1 0 314.404 3.456 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2ccco2)cc1F ZINC000304488592 657636536 /nfs/dbraw/zinc/63/65/36/657636536.db2.gz CJWQCOJRRCPAND-INIZCTEOSA-N 1 0 306.381 3.088 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H]3C[C@H](C)O)c2c1 ZINC000305274160 657699651 /nfs/dbraw/zinc/69/96/51/657699651.db2.gz ZRMUCZXKQQXOJR-ZFWWWQNUSA-N 1 0 315.413 3.289 20 10 DGCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1C ZINC000237320125 657744365 /nfs/dbraw/zinc/74/43/65/657744365.db2.gz CCGNVMMEEDDSBM-UHFFFAOYSA-N 1 0 318.461 3.130 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]CCc1ccc(Cl)cc1)OCO2 ZINC000042879395 658801880 /nfs/dbraw/zinc/80/18/80/658801880.db2.gz GUSOCURRJWADMP-UHFFFAOYSA-N 1 0 305.761 3.107 20 10 DGCDRO CC[C@H]([NH2+]CCCNc1ncccn1)c1ccc(N(C)C)cc1 ZINC000163935895 658909300 /nfs/dbraw/zinc/90/93/00/658909300.db2.gz GUKQDHOLJPYTEW-KRWDZBQOSA-N 1 0 313.449 3.086 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)c1O ZINC000058066193 659049762 /nfs/dbraw/zinc/04/97/62/659049762.db2.gz LTAJYMVNPMWJKJ-KXBFYZLASA-N 1 0 320.477 3.391 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cncs3)CC2)cc1 ZINC000157390678 659055385 /nfs/dbraw/zinc/05/53/85/659055385.db2.gz VQUNMZBJSMMHCG-ZDUSSCGKSA-N 1 0 317.458 3.471 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000226648888 659133488 /nfs/dbraw/zinc/13/34/88/659133488.db2.gz CXXDYVIEXCTJJS-HNNXBMFYSA-N 1 0 320.433 3.103 20 10 DGCDRO CC[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000158213075 659150626 /nfs/dbraw/zinc/15/06/26/659150626.db2.gz BRUNNPZREDULLO-APWZRJJASA-N 1 0 320.477 3.237 20 10 DGCDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000227440914 659154620 /nfs/dbraw/zinc/15/46/20/659154620.db2.gz QRZMUUVFQMFKII-OAHLLOKOSA-N 1 0 320.433 3.271 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1cccnc1 ZINC000227434935 659154770 /nfs/dbraw/zinc/15/47/70/659154770.db2.gz MZIMJRUUOPJPOI-SNVBAGLBSA-N 1 0 307.191 3.401 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000170729198 659231209 /nfs/dbraw/zinc/23/12/09/659231209.db2.gz ADXALNQFJLXNGU-INIZCTEOSA-N 1 0 318.461 3.065 20 10 DGCDRO C[N@H+](Cc1cncc(Br)c1)Cc1ccccc1O ZINC000171937744 659307321 /nfs/dbraw/zinc/30/73/21/659307321.db2.gz OKYPRGUGUVTONU-UHFFFAOYSA-N 1 0 307.191 3.182 20 10 DGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000172120360 659317222 /nfs/dbraw/zinc/31/72/22/659317222.db2.gz OMCCKULSNCMATJ-GFCCVEGCSA-N 1 0 310.413 3.102 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]C1Cc2ccccc2C1 ZINC000231032191 659363725 /nfs/dbraw/zinc/36/37/25/659363725.db2.gz UFJMKSVEAXOYCR-UHFFFAOYSA-N 1 0 318.214 3.412 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccccc3)C1)OCO2 ZINC000172916064 659365705 /nfs/dbraw/zinc/36/57/05/659365705.db2.gz AIGXYBYJOLKLHS-HNNXBMFYSA-N 1 0 311.381 3.186 20 10 DGCDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000237555185 659928989 /nfs/dbraw/zinc/92/89/89/659928989.db2.gz GHTUMSXTVDSBBQ-WMZOPIPTSA-N 1 0 302.462 3.439 20 10 DGCDRO CC[N@@H+](Cc1cc(F)ccc1O)C[C@@H](O)c1ccc(C)cc1 ZINC000180195815 659955391 /nfs/dbraw/zinc/95/53/91/659955391.db2.gz PHZKVPWULMVWKX-GOSISDBHSA-N 1 0 303.377 3.395 20 10 DGCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000180205646 659956064 /nfs/dbraw/zinc/95/60/64/659956064.db2.gz DELLYVUOTSLPJX-QGZVFWFLSA-N 1 0 303.377 3.304 20 10 DGCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180776912 659970435 /nfs/dbraw/zinc/97/04/35/659970435.db2.gz OMZAZBNOQRETEN-OAHLLOKOSA-N 1 0 305.418 3.256 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)C1(C)C ZINC000181773817 660019146 /nfs/dbraw/zinc/01/91/46/660019146.db2.gz DVLHPUWNNIACEI-NWDGAFQWSA-N 1 0 300.493 3.419 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000182432937 660051822 /nfs/dbraw/zinc/05/18/22/660051822.db2.gz WBTAHSYGLHBVNC-GFCCVEGCSA-N 1 0 316.357 3.468 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccccc2OC)c1 ZINC000182433554 660054110 /nfs/dbraw/zinc/05/41/10/660054110.db2.gz JRJULQKTNXVOCI-CYBMUJFWSA-N 1 0 317.385 3.139 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccccc2C#N)c1 ZINC000182463431 660054364 /nfs/dbraw/zinc/05/43/64/660054364.db2.gz ZLPUTZLGLWPPQY-ZDUSSCGKSA-N 1 0 312.369 3.002 20 10 DGCDRO COC(C)(C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183158480 660103065 /nfs/dbraw/zinc/10/30/65/660103065.db2.gz STAGKVJONMMMDU-UHFFFAOYSA-N 1 0 315.413 3.486 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1O ZINC000183209961 660104562 /nfs/dbraw/zinc/10/45/62/660104562.db2.gz DYOMLPRECVZRFY-QGZVFWFLSA-N 1 0 301.361 3.493 20 10 DGCDRO C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000183485865 660117938 /nfs/dbraw/zinc/11/79/38/660117938.db2.gz ODDNMJLNILFHCZ-CYBMUJFWSA-N 1 0 320.433 3.442 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccnn1C)c1ccc(N2CCCCC2)cc1 ZINC000184021071 660152821 /nfs/dbraw/zinc/15/28/21/660152821.db2.gz PMCNLWNDKZWNOT-MRXNPFEDSA-N 1 0 312.461 3.304 20 10 DGCDRO CC(=O)NCCCCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000929296138 661295250 /nfs/dbraw/zinc/29/52/50/661295250.db2.gz OGYHWYPWRKIVRM-UHFFFAOYSA-N 1 0 319.493 3.269 20 10 DGCDRO CCn1cc(C[N@H+](Cc2ccccc2O)C2CCCCC2)nn1 ZINC000929634374 661323129 /nfs/dbraw/zinc/32/31/29/661323129.db2.gz XHALHBBDIUCQJI-UHFFFAOYSA-N 1 0 314.433 3.339 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccccc1O ZINC000155504597 661848296 /nfs/dbraw/zinc/84/82/96/661848296.db2.gz AALQHJLBAJVWGX-KRWDZBQOSA-N 1 0 312.413 3.139 20 10 DGCDRO C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000158639640 661875828 /nfs/dbraw/zinc/87/58/28/661875828.db2.gz ZXPPDAPAQVGSGQ-AWEZNQCLSA-N 1 0 321.465 3.270 20 10 DGCDRO C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000158639829 661875834 /nfs/dbraw/zinc/87/58/34/661875834.db2.gz ZXPPDAPAQVGSGQ-CQSZACIVSA-N 1 0 321.465 3.270 20 10 DGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(C)c2O)CC1 ZINC000189994742 662001065 /nfs/dbraw/zinc/00/10/65/662001065.db2.gz XPRJEIOHQBSEKE-CQSZACIVSA-N 1 0 320.433 3.047 20 10 DGCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC=CO1 ZINC000193605386 662141631 /nfs/dbraw/zinc/14/16/31/662141631.db2.gz AENZKKSRNXWOJH-IRXDYDNUSA-N 1 0 303.402 3.066 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)ccc21 ZINC000245947224 662245302 /nfs/dbraw/zinc/24/53/02/662245302.db2.gz VVSMCLAXZLIYNQ-QXAKKESOSA-N 1 0 314.473 3.362 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000090221163 662257495 /nfs/dbraw/zinc/25/74/95/662257495.db2.gz GWJRRLXDDPKBFR-PEBXRYMYSA-N 1 0 316.470 3.341 20 10 DGCDRO CCOc1cccc(C[N@H+](C)CCOCc2ccccc2)c1O ZINC000091937021 662324987 /nfs/dbraw/zinc/32/49/87/662324987.db2.gz TWAJSZTYTCCGEV-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000092067586 662327576 /nfs/dbraw/zinc/32/75/76/662327576.db2.gz PIWCZGWRSOFNTQ-IBGZPJMESA-N 1 0 320.477 3.160 20 10 DGCDRO COc1ccc(CCC[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000092163791 662327904 /nfs/dbraw/zinc/32/79/04/662327904.db2.gz GEHJWFJZPITQRT-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)cc1 ZINC000247977965 662331504 /nfs/dbraw/zinc/33/15/04/662331504.db2.gz LTIZXBIIUSPFLT-VQIMIIECSA-N 1 0 320.477 3.379 20 10 DGCDRO Fc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000093441990 662354616 /nfs/dbraw/zinc/35/46/16/662354616.db2.gz CZJQKXNOEZGHHU-CALCHBBNSA-N 1 0 318.436 3.284 20 10 DGCDRO Fc1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)ccc1N1CCOCC1 ZINC000093441992 662354800 /nfs/dbraw/zinc/35/48/00/662354800.db2.gz CZJQKXNOEZGHHU-IRXDYDNUSA-N 1 0 318.436 3.284 20 10 DGCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000186765006 685113609 /nfs/dbraw/zinc/11/36/09/685113609.db2.gz YNCCISSTZGQUHU-KGLIPLIRSA-N 1 0 320.433 3.218 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])OC ZINC000381108991 685154773 /nfs/dbraw/zinc/15/47/73/685154773.db2.gz BUAICGQWJJMSQK-GXFFZTMASA-N 1 0 316.239 3.305 20 10 DGCDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000382452248 685163239 /nfs/dbraw/zinc/16/32/39/685163239.db2.gz GIPKYDQFHHVTMQ-ZFWWWQNUSA-N 1 0 320.433 3.175 20 10 DGCDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1Cc1ccccc1 ZINC000383365356 685166686 /nfs/dbraw/zinc/16/66/86/685166686.db2.gz UYBVHZWAENAUIV-UZLBHIALSA-N 1 0 322.452 3.374 20 10 DGCDRO CO[C@@H]([C@@H](C)[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000388233759 685187874 /nfs/dbraw/zinc/18/78/74/685187874.db2.gz NMQCMXJIQZAHKB-OTYXRUKQSA-N 1 0 314.223 3.058 20 10 DGCDRO COCCCC[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000397193570 685229848 /nfs/dbraw/zinc/22/98/48/685229848.db2.gz MIESHEQDFBCLNK-UHFFFAOYSA-N 1 0 316.239 3.322 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](c2cnn[nH]2)C(C)(C)C)cc1Cl ZINC001577348051 1191894126 /nfs/dbraw/zinc/89/41/26/1191894126.db2.gz KNLJYUAEVOAQBB-AWEZNQCLSA-N 1 0 308.813 3.349 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1cccc2c1CCCN2 ZINC001578716246 1191952824 /nfs/dbraw/zinc/95/28/24/1191952824.db2.gz QRZUZAQRZCVAGZ-UHFFFAOYSA-N 1 0 323.440 3.083 20 10 DGCDRO COc1cc(F)cc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC001579157654 1191967671 /nfs/dbraw/zinc/96/76/71/1191967671.db2.gz AOUIOTNXLXOLCK-UHFFFAOYSA-N 1 0 300.377 3.246 20 10 DGCDRO Cc1cc(C[NH2+]C[C@H]2CC(F)(F)CN2)c(C)n1-c1ccccc1 ZINC001579601244 1191981943 /nfs/dbraw/zinc/98/19/43/1191981943.db2.gz LDCKABLLAJGYJY-MRXNPFEDSA-N 1 0 319.399 3.181 20 10 DGCDRO Cc1cc(O)c(CNc2cnc3c(c2)C[C@@H]([NH3+])CC3)c(Cl)c1 ZINC001579638445 1191983844 /nfs/dbraw/zinc/98/38/44/1191983844.db2.gz XLYRZRSEEZTYCY-LBPRGKRZSA-N 1 0 317.820 3.177 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc(N)cc[nH+]2)cc1 ZINC001579674585 1191985860 /nfs/dbraw/zinc/98/58/60/1191985860.db2.gz WNTRBTNDKHQHPM-UHFFFAOYSA-N 1 0 320.396 3.001 20 10 DGCDRO Cc1cc(C(=O)CSC2C[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC001579746908 1191990794 /nfs/dbraw/zinc/99/07/94/1191990794.db2.gz DRBSGATVUPWNPN-UHFFFAOYSA-N 1 0 314.454 3.290 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)cc1C ZINC001620790336 1191996021 /nfs/dbraw/zinc/99/60/21/1191996021.db2.gz BNQUCOCVJXWMES-FZKQIMNGSA-N 1 0 303.377 3.354 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CCNc1ccccc1 ZINC001661643229 1196627306 /nfs/dbraw/zinc/62/73/06/1196627306.db2.gz XQAMWYFAWJDLFB-UHFFFAOYSA-N 1 0 321.218 3.356 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@]2(N(C)C)CCSC2)cc1C ZINC001620824967 1192206962 /nfs/dbraw/zinc/20/69/62/1192206962.db2.gz WYLCIOYTTYEBNQ-GOSISDBHSA-N 1 0 322.518 3.311 20 10 DGCDRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001620825752 1192219265 /nfs/dbraw/zinc/21/92/65/1192219265.db2.gz HZLHZMCZHFHMJU-CQSZACIVSA-N 1 0 308.422 3.085 20 10 DGCDRO COc1cc[nH+]c(NCc2cc(C)cc(Br)c2O)c1 ZINC001620887582 1192552515 /nfs/dbraw/zinc/55/25/15/1192552515.db2.gz JAYLSQIVEMBYBN-UHFFFAOYSA-N 1 0 323.190 3.479 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2C)cc1Cn1cccn1 ZINC001620912738 1192592498 /nfs/dbraw/zinc/59/24/98/1192592498.db2.gz FGYPYVTVPREAKP-NVXWUHKLSA-N 1 0 313.445 3.466 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H](F)C3)cc2)CC1 ZINC001333368882 1178596115 /nfs/dbraw/zinc/59/61/15/1178596115.db2.gz NJFGHPBGTNPFPA-HZPDHXFCSA-N 1 0 306.425 3.018 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCOC23CCCC3)cc1 ZINC001335134507 1178858877 /nfs/dbraw/zinc/85/88/77/1178858877.db2.gz SOPNMWWPNADNIU-XFHJGTJQSA-N 1 0 300.446 3.457 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC001336077232 1178990144 /nfs/dbraw/zinc/99/01/44/1178990144.db2.gz HZMQZVOXDMFSHC-VXHCAWKWSA-N 1 0 308.425 3.463 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCOC[C@@H]1CCCO1 ZINC001342390782 1179136695 /nfs/dbraw/zinc/13/66/95/1179136695.db2.gz SCLOMFOMKGKWNA-QLFBSQMISA-N 1 0 305.418 3.034 20 10 DGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001343089211 1179232889 /nfs/dbraw/zinc/23/28/89/1179232889.db2.gz KBLJKGQAVWXSGJ-LJQANCHMSA-N 1 0 302.462 3.271 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001344439616 1179434170 /nfs/dbraw/zinc/43/41/70/1179434170.db2.gz WKVJHZFYGMYAEJ-ONFZBDQASA-N 1 0 300.446 3.267 20 10 DGCDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001345639430 1179584326 /nfs/dbraw/zinc/58/43/26/1179584326.db2.gz SXSAHHDDASCKIL-HZSPNIEDSA-N 1 0 310.869 3.435 20 10 DGCDRO CO[C@]1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CCSC1 ZINC001350636498 1180099325 /nfs/dbraw/zinc/09/93/25/1180099325.db2.gz PPBBRLGHFGBJLF-AHIWAGSCSA-N 1 0 307.459 3.361 20 10 DGCDRO C[C@]1(C(F)F)C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC001350736004 1180113985 /nfs/dbraw/zinc/11/39/85/1180113985.db2.gz STBACNKAHYLZFB-QGZVFWFLSA-N 1 0 307.340 3.401 20 10 DGCDRO CCCC[N@H+](Cc1c2c(nn1C)CCC2)Cc1ccccc1O ZINC001352054157 1180288260 /nfs/dbraw/zinc/28/82/60/1180288260.db2.gz JMPHNVXWOJFNSO-UHFFFAOYSA-N 1 0 313.445 3.417 20 10 DGCDRO CC[C@](O)(C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC001352739370 1180389538 /nfs/dbraw/zinc/38/95/38/1180389538.db2.gz DJBLZDAEECWOKH-RISCZKNCSA-N 1 0 304.356 3.107 20 10 DGCDRO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC001353197880 1180492037 /nfs/dbraw/zinc/49/20/37/1180492037.db2.gz ATUPIIKJMKDRID-CQSZACIVSA-N 1 0 303.324 3.162 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](c1nncn1C)C(C)C ZINC001353932182 1180687105 /nfs/dbraw/zinc/68/71/05/1180687105.db2.gz GXVYTGFVVAFUKS-PBFPGSCMSA-N 1 0 314.433 3.364 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](c1nncn1C)C(C)C ZINC001353932180 1180687208 /nfs/dbraw/zinc/68/72/08/1180687208.db2.gz GXVYTGFVVAFUKS-IIYDPXPESA-N 1 0 314.433 3.364 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)cc1C ZINC001460312143 1182676138 /nfs/dbraw/zinc/67/61/38/1182676138.db2.gz FFWCDBAEVGRIKR-MRXNPFEDSA-N 1 0 307.434 3.460 20 10 DGCDRO CCN(C)c1ccc(CN2CCC(CC)([NH+](C)C)CC2)cc1 ZINC001460579347 1182697832 /nfs/dbraw/zinc/69/78/32/1182697832.db2.gz PDMUVALJZWZCDY-UHFFFAOYSA-N 1 0 303.494 3.449 20 10 DGCDRO COc1ccc(C[NH2+]CCCC(C)C)cc1Cn1cccn1 ZINC001461019498 1182757619 /nfs/dbraw/zinc/75/76/19/1182757619.db2.gz QVCDYIIZTGFZAQ-UHFFFAOYSA-N 1 0 301.434 3.466 20 10 DGCDRO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001461127530 1182771670 /nfs/dbraw/zinc/77/16/70/1182771670.db2.gz ANAWNHHENSVCBN-UXHICEINSA-N 1 0 308.425 3.035 20 10 DGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC001461180219 1182778465 /nfs/dbraw/zinc/77/84/65/1182778465.db2.gz LABIXAFDIXOFNQ-KOMQPUFPSA-N 1 0 306.425 3.331 20 10 DGCDRO CC1(C)C[C@]1(C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001461726236 1182846612 /nfs/dbraw/zinc/84/66/12/1182846612.db2.gz JQHNGFQUBXUHNX-GOSISDBHSA-N 1 0 306.425 3.188 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC001461779813 1182853678 /nfs/dbraw/zinc/85/36/78/1182853678.db2.gz WZEQPVMHFJOPIJ-AWEZNQCLSA-N 1 0 305.418 3.079 20 10 DGCDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001462251941 1182928837 /nfs/dbraw/zinc/92/88/37/1182928837.db2.gz ANFIAJULEGGNKH-IAGOWNOFSA-N 1 0 324.415 3.420 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC001462440747 1182953817 /nfs/dbraw/zinc/95/38/17/1182953817.db2.gz AYKXHZCJMHXOBO-INIZCTEOSA-N 1 0 323.371 3.494 20 10 DGCDRO C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463395 1182956883 /nfs/dbraw/zinc/95/68/83/1182956883.db2.gz VBQKJLZCGOHQJM-MLGOLLRUSA-N 1 0 312.404 3.223 20 10 DGCDRO O=C(NCc1cccc(Cl)c1O)Nc1ccc2nccn2c1 ZINC001467062574 1183237751 /nfs/dbraw/zinc/23/77/51/1183237751.db2.gz DZPQCIYRDFTNSE-UHFFFAOYSA-N 1 0 316.748 3.015 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1N(C)C ZINC001473737494 1183795864 /nfs/dbraw/zinc/79/58/64/1183795864.db2.gz KRYFRZGGVIJHGU-WDSOQIARSA-N 1 0 302.462 3.186 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCC[C@H](C)C2)cc1F ZINC001473931131 1183831614 /nfs/dbraw/zinc/83/16/14/1183831614.db2.gz FJKLXWHZTFWNNN-INIZCTEOSA-N 1 0 321.484 3.493 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1F ZINC001473979238 1183842510 /nfs/dbraw/zinc/84/25/10/1183842510.db2.gz MMQAPLCAIOEITD-UHFFFAOYSA-N 1 0 320.383 3.372 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCCNc2ccccc2)cc1F ZINC001474018429 1183851655 /nfs/dbraw/zinc/85/16/55/1183851655.db2.gz NDASICSGCRNQLI-UHFFFAOYSA-N 1 0 301.409 3.484 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1 ZINC001474246690 1183889698 /nfs/dbraw/zinc/88/96/98/1183889698.db2.gz COOOOIPYAFHCIS-FHLMBLHRSA-N 1 0 300.446 3.457 20 10 DGCDRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CS1 ZINC001474292155 1183897915 /nfs/dbraw/zinc/89/79/15/1183897915.db2.gz XHSSPICJDRUKPS-KYJSFNMBSA-N 1 0 321.534 3.229 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1Cl ZINC001474328775 1183904808 /nfs/dbraw/zinc/90/48/08/1183904808.db2.gz RJZTVNBSZJZONH-QGZVFWFLSA-N 1 0 317.816 3.446 20 10 DGCDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001474362554 1183910410 /nfs/dbraw/zinc/91/04/10/1183910410.db2.gz STATYSADUCZLQA-LBPRGKRZSA-N 1 0 307.781 3.117 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001474378893 1183911742 /nfs/dbraw/zinc/91/17/42/1183911742.db2.gz LYHYGNOYVWUBPR-UHFFFAOYSA-N 1 0 305.418 3.433 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c(O)c1 ZINC001474454398 1183924194 /nfs/dbraw/zinc/92/41/94/1183924194.db2.gz YPGNIGGTSRUARC-SFHVURJKSA-N 1 0 305.418 3.100 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CC2Cc3ccccc3C2)cc1 ZINC001474612358 1183950235 /nfs/dbraw/zinc/95/02/35/1183950235.db2.gz GSPVXFRFOMTXJN-UHFFFAOYSA-N 1 0 324.468 3.478 20 10 DGCDRO CC[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001479761666 1184316572 /nfs/dbraw/zinc/31/65/72/1184316572.db2.gz SRLGKYGMTBQYIG-RHSMWYFYSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001609779458 1193355959 /nfs/dbraw/zinc/35/59/59/1193355959.db2.gz PSQCXRKDCRFTIZ-UONOGXRCSA-N 1 0 320.433 3.006 20 10 DGCDRO CC/C(C)=C(\C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001539707383 1188200175 /nfs/dbraw/zinc/20/01/75/1188200175.db2.gz RDXPSTGOAUOBCN-JJJPLKNQSA-N 1 0 317.477 3.218 20 10 DGCDRO CC/C(C)=C(/C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001539707384 1188200238 /nfs/dbraw/zinc/20/02/38/1188200238.db2.gz RDXPSTGOAUOBCN-KGUUONHRSA-N 1 0 317.477 3.218 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001559966675 1189263825 /nfs/dbraw/zinc/26/38/25/1189263825.db2.gz HYFAQTUETGAQGU-FVQHAEBGSA-N 1 0 320.477 3.267 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@]23CCC[C@H]2OCC3)ccc1N(C)C ZINC001560235750 1189295350 /nfs/dbraw/zinc/29/53/50/1189295350.db2.gz UNZYLSHVUDKVAY-RTBURBONSA-N 1 0 302.462 3.452 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC001560251894 1189298906 /nfs/dbraw/zinc/29/89/06/1189298906.db2.gz FWEQUEDCLRFOIO-UHFFFAOYSA-N 1 0 300.805 3.150 20 10 DGCDRO COc1ccc(OCC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC001560251855 1189299187 /nfs/dbraw/zinc/29/91/87/1189299187.db2.gz HTUDVTJHGMXZPH-UHFFFAOYSA-N 1 0 318.392 3.069 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC001560355269 1189317457 /nfs/dbraw/zinc/31/74/57/1189317457.db2.gz UXAHRBYBKCEVIA-KRWDZBQOSA-N 1 0 301.361 3.238 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC001560439450 1189329528 /nfs/dbraw/zinc/32/95/28/1189329528.db2.gz LQOFUJHMMFNDGC-OAHLLOKOSA-N 1 0 306.409 3.449 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1 ZINC001560484910 1189333290 /nfs/dbraw/zinc/33/32/90/1189333290.db2.gz XJWGOPKRTPJQOS-WPGJWXSHSA-N 1 0 302.462 3.297 20 10 DGCDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001560564570 1189342397 /nfs/dbraw/zinc/34/23/97/1189342397.db2.gz DLTNOBJJZJQAFV-YPMHNXCESA-N 1 0 318.383 3.411 20 10 DGCDRO c1cc(N2CCOCC2)ccc1CNc1ccc2c([nH+]1)CCCC2 ZINC001560579074 1189343941 /nfs/dbraw/zinc/34/39/41/1189343941.db2.gz VUKQZBRYRITREX-UHFFFAOYSA-N 1 0 323.440 3.409 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC001560601217 1189346597 /nfs/dbraw/zinc/34/65/97/1189346597.db2.gz QBWUARVQDUSCAD-DXRKNVDNSA-N 1 0 322.452 3.404 20 10 DGCDRO CN(Cc1cccn1C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC001560738395 1189370350 /nfs/dbraw/zinc/37/03/50/1189370350.db2.gz PMIWUIYNNFHENU-UHFFFAOYSA-N 1 0 323.387 3.460 20 10 DGCDRO CCCN(Cc1csc(C(=O)OC)c1)c1ccc(C[NH3+])cc1 ZINC001560808287 1189385658 /nfs/dbraw/zinc/38/56/58/1189385658.db2.gz HOTGNFVEYOCBNH-UHFFFAOYSA-N 1 0 318.442 3.410 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001560891526 1189401038 /nfs/dbraw/zinc/40/10/38/1189401038.db2.gz MZKQHGRROMSLRT-XZXOBPBMSA-N 1 0 316.445 3.041 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c1O ZINC001560907143 1189403253 /nfs/dbraw/zinc/40/32/53/1189403253.db2.gz BSUZQBYQJCQTIY-OAHLLOKOSA-N 1 0 323.433 3.165 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@]2(C)CCCS2)N(C)C)cc1 ZINC001561040008 1189424753 /nfs/dbraw/zinc/42/47/53/1189424753.db2.gz IKHGTYRLHFZVNE-ZWKOTPCHSA-N 1 0 321.534 3.231 20 10 DGCDRO CC[C@H](CNC(=O)[C@@H]1CC1(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567956971 1190375994 /nfs/dbraw/zinc/37/59/94/1190375994.db2.gz ZLPZJJCZEYDBIE-CVEARBPZSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)C2CCC2)C(C)C)cc1C ZINC001568440729 1190521813 /nfs/dbraw/zinc/52/18/13/1190521813.db2.gz CKFWNZJFCKCSSL-KRWDZBQOSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@H](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001571384782 1191009985 /nfs/dbraw/zinc/00/99/85/1191009985.db2.gz VXCMDNSMJCFWBH-GOEBONIOSA-N 1 0 320.477 3.376 20 10 DGCDRO CC(C)c1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC001575858862 1191513119 /nfs/dbraw/zinc/51/31/19/1191513119.db2.gz SSLCGYIBCFGZDE-KGLIPLIRSA-N 1 0 316.367 3.227 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](CO)Cc1ccccc1 ZINC001620745778 1193797448 /nfs/dbraw/zinc/79/74/48/1193797448.db2.gz LJUBSERMORSXGK-GOSISDBHSA-N 1 0 322.452 3.428 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@H]2CC(C)(C)CO2)cc1F ZINC001621067655 1193798661 /nfs/dbraw/zinc/79/86/61/1193798661.db2.gz RVFIZRPIXBLUEV-ZDUSSCGKSA-N 1 0 312.404 3.326 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CCCC1 ZINC001621107760 1193803052 /nfs/dbraw/zinc/80/30/52/1193803052.db2.gz YPKBEQNULBQDNF-ICSRJNTNSA-N 1 0 314.473 3.439 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CC[C@H](C)[C@H]2C)c2cc(F)ccc2n1C ZINC001621136600 1193807126 /nfs/dbraw/zinc/80/71/26/1193807126.db2.gz VXYDQCVYGQTPKA-NWDGAFQWSA-N 1 0 318.392 3.334 20 10 DGCDRO CCc1cccc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)c1O ZINC001621172767 1193812698 /nfs/dbraw/zinc/81/26/98/1193812698.db2.gz XEBQNOGPBBULSI-SFHVURJKSA-N 1 0 324.424 3.192 20 10 DGCDRO CN(C)c1cc[nH+]c(NCc2ccc(Br)cc2O)c1 ZINC001621198891 1193815537 /nfs/dbraw/zinc/81/55/37/1193815537.db2.gz SXWRCCTXJFTFGY-UHFFFAOYSA-N 1 0 322.206 3.228 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1 ZINC001621358509 1193833136 /nfs/dbraw/zinc/83/31/36/1193833136.db2.gz BVDHYECXHBCQJE-GOSISDBHSA-N 1 0 317.404 3.348 20 10 DGCDRO COC(=O)/C=C\c1ccc(C[NH2+][C@@H](C)c2ccccc2O)o1 ZINC001621481980 1193848976 /nfs/dbraw/zinc/84/89/76/1193848976.db2.gz GRRJMBRWORUZJH-PRDAAYKISA-N 1 0 301.342 3.022 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(O)c1 ZINC001621481730 1193848982 /nfs/dbraw/zinc/84/89/82/1193848982.db2.gz WCCJZKWOVOHTNC-UHFFFAOYSA-N 1 0 316.357 3.216 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1ccc(F)cc1 ZINC001621561917 1193858464 /nfs/dbraw/zinc/85/84/64/1193858464.db2.gz GZAHQLAYRWRUKV-MRXNPFEDSA-N 1 0 305.349 3.017 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)N(C)C)cc1 ZINC001621557131 1193858686 /nfs/dbraw/zinc/85/86/86/1193858686.db2.gz AVKPPTZPSWRCMO-FHWLQOOXSA-N 1 0 301.478 3.134 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](CO)Cc2ccccc2)cc1 ZINC001643796523 1195054775 /nfs/dbraw/zinc/05/47/75/1195054775.db2.gz OKMGPVABJIIMGD-HXUWFJFHSA-N 1 0 312.457 3.178 20 10 DGCDRO COc1ccc(N(C)C[C@H]2CCCC[N@@H+]2C(C)C)cc1OC ZINC001644464662 1195110730 /nfs/dbraw/zinc/11/07/30/1195110730.db2.gz UQXUPSQPRQKBDC-MRXNPFEDSA-N 1 0 306.450 3.403 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCN(C)[C@@H](C(C)(C)C)C2)cc1 ZINC001646537140 1195233021 /nfs/dbraw/zinc/23/30/21/1195233021.db2.gz SVQAKZYVNUVBFT-GOSISDBHSA-N 1 0 303.494 3.305 20 10 DGCDRO CCC(CC)(CC(=O)OC)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001647041602 1195243633 /nfs/dbraw/zinc/24/36/33/1195243633.db2.gz ZBQNDOHKRLXPTN-CMDGGOBGSA-N 1 0 318.461 3.477 20 10 DGCDRO O=C(NCc1c(O)ccc2ccccc21)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001647794932 1195253977 /nfs/dbraw/zinc/25/39/77/1195253977.db2.gz USUAYJIPOJFESX-MAUKXSAKSA-N 1 0 324.424 3.179 20 10 DGCDRO OC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(F)c1 ZINC001649430208 1195335990 /nfs/dbraw/zinc/33/59/90/1195335990.db2.gz FIBSTCCFPQQHOG-LJQANCHMSA-N 1 0 314.404 3.249 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC001650919131 1195395739 /nfs/dbraw/zinc/39/57/39/1195395739.db2.gz QZPDESGLUXIVPN-PKOBYXMFSA-N 1 0 300.446 3.334 20 10 DGCDRO Cc1csc2nc(C)c(C[N@@H+](C)Cc3ccccc3O)n12 ZINC001651956374 1195527988 /nfs/dbraw/zinc/52/79/88/1195527988.db2.gz MZIXLIPMRIQDFE-UHFFFAOYSA-N 1 0 301.415 3.350 20 10 DGCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(Cl)cc2O)cc1 ZINC001652107346 1195549436 /nfs/dbraw/zinc/54/94/36/1195549436.db2.gz DLPCLWRGYOCREU-UHFFFAOYSA-N 1 0 318.804 3.037 20 10 DGCDRO CN(Cc1ccc(O)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC001652133511 1195551112 /nfs/dbraw/zinc/55/11/12/1195551112.db2.gz LJHUXGTYSPIWCU-UHFFFAOYSA-N 1 0 318.392 3.108 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001652139516 1195552603 /nfs/dbraw/zinc/55/26/03/1195552603.db2.gz KNDRLKSDPYHGQK-UHFFFAOYSA-N 1 0 307.752 3.409 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCCC(C)(C)O2)cc1 ZINC001654114821 1195776010 /nfs/dbraw/zinc/77/60/10/1195776010.db2.gz RLJDCDHOLDPGBB-SFHVURJKSA-N 1 0 320.477 3.411 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 ZINC001655401475 1195913237 /nfs/dbraw/zinc/91/32/37/1195913237.db2.gz ZQHFDCXONAMVLD-OTWHNJEPSA-N 1 0 302.462 3.268 20 10 DGCDRO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001655476671 1195922196 /nfs/dbraw/zinc/92/21/96/1195922196.db2.gz QEBVYLUSSGPGNI-UHFFFAOYSA-N 1 0 323.371 3.441 20 10 DGCDRO C[C@H]1CCCN(CC[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001656044954 1195991512 /nfs/dbraw/zinc/99/15/12/1195991512.db2.gz SSDJFOIDNKHUES-KRWDZBQOSA-N 1 0 301.478 3.108 20 10 DGCDRO c1nc([C@H]2CCCO2)sc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001656270068 1196025519 /nfs/dbraw/zinc/02/55/19/1196025519.db2.gz OLEXDLAQFYUSNU-MRXNPFEDSA-N 1 0 316.426 3.219 20 10 DGCDRO CCC[N@H+](CC)C[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC001656340747 1196031591 /nfs/dbraw/zinc/03/15/91/1196031591.db2.gz DXYCZOYXCBCSEH-KBOKABMXSA-N 1 0 303.494 3.476 20 10 DGCDRO CCN1CCCC[C@@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001656461656 1196042640 /nfs/dbraw/zinc/04/26/40/1196042640.db2.gz CAUSMQDGXWQZDD-QULHZPMSSA-N 1 0 301.478 3.230 20 10 DGCDRO CN(C)c1ccc(CN[C@H]2CC[N@H+](CC3CCCC3)C2)cc1F ZINC001656641075 1196057581 /nfs/dbraw/zinc/05/75/81/1196057581.db2.gz BDNFOKPFIXIXCG-KRWDZBQOSA-N 1 0 319.468 3.246 20 10 DGCDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC001656895343 1196080752 /nfs/dbraw/zinc/08/07/52/1196080752.db2.gz YLFBIFZFLXBLQL-XYPYZODXSA-N 1 0 311.809 3.256 20 10 DGCDRO O=c1[nH]c2cc(C[NH2+]Cc3c(O)cccc3Cl)ccc2o1 ZINC001656914904 1196083197 /nfs/dbraw/zinc/08/31/97/1196083197.db2.gz SKYNOHXNJJZATI-UHFFFAOYSA-N 1 0 304.733 3.182 20 10 DGCDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657204397 1196117726 /nfs/dbraw/zinc/11/77/26/1196117726.db2.gz PDJHDRPRTJWARJ-KXBFYZLASA-N 1 0 311.425 3.266 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC001657410547 1196138379 /nfs/dbraw/zinc/13/83/79/1196138379.db2.gz QANUCYKBIACQCJ-PMACEKPBSA-N 1 0 316.489 3.420 20 10 DGCDRO CC[C@@H](C[N@H+](CC)Cc1cc(Br)ccc1O)OC ZINC001657431361 1196141366 /nfs/dbraw/zinc/14/13/66/1196141366.db2.gz LKXZZYLKADHYAQ-ZDUSSCGKSA-N 1 0 316.239 3.402 20 10 DGCDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)c(O)c1 ZINC001657453056 1196142923 /nfs/dbraw/zinc/14/29/23/1196142923.db2.gz GGHGZQMFWBGDRM-GOSISDBHSA-N 1 0 324.424 3.328 20 10 DGCDRO C[C@@H](CN1CCC(C)CC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001657669155 1196167849 /nfs/dbraw/zinc/16/78/49/1196167849.db2.gz MYNPXVXAWMNVJR-QWNKOJSDSA-N 1 0 315.505 3.476 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC001657812422 1196180632 /nfs/dbraw/zinc/18/06/32/1196180632.db2.gz AKVXXPGTXMHBQF-WAARBJQMSA-N 1 0 300.446 3.046 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC001657824865 1196181388 /nfs/dbraw/zinc/18/13/88/1196181388.db2.gz UKLOEVCBAUSGDI-UHFFFAOYSA-N 1 0 302.462 3.454 20 10 DGCDRO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC001657921812 1196194245 /nfs/dbraw/zinc/19/42/45/1196194245.db2.gz QZJNQYPPXFCSDW-IBGZPJMESA-N 1 0 303.494 3.497 20 10 DGCDRO OC[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)C[C@@H]1c1ccccc1 ZINC001658050068 1196206224 /nfs/dbraw/zinc/20/62/24/1196206224.db2.gz QVABWHXZHUCJBA-TZIWHRDSSA-N 1 0 323.436 3.267 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1C ZINC001658120119 1196214213 /nfs/dbraw/zinc/21/42/13/1196214213.db2.gz XPFBIQQEKMVQEJ-ZBFHGGJFSA-N 1 0 313.388 3.422 20 10 DGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)C1=CCOCC1 ZINC001658163632 1196220761 /nfs/dbraw/zinc/22/07/61/1196220761.db2.gz RCZIUGFOWWQEMS-UHFFFAOYSA-N 1 0 301.430 3.474 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1C ZINC001658176130 1196221369 /nfs/dbraw/zinc/22/13/69/1196221369.db2.gz ZHWJHHUFOMYWBH-RCCFBDPRSA-N 1 0 302.462 3.214 20 10 DGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001658206316 1196225057 /nfs/dbraw/zinc/22/50/57/1196225057.db2.gz YPJDSTCWZZPTKL-HNNXBMFYSA-N 1 0 305.418 3.291 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC001658319065 1196240358 /nfs/dbraw/zinc/24/03/58/1196240358.db2.gz KAWAEOHGDILIMW-SFHVURJKSA-N 1 0 319.445 3.286 20 10 DGCDRO Cc1cccc2c1C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)CO2 ZINC001658330093 1196242478 /nfs/dbraw/zinc/24/24/78/1196242478.db2.gz DDYCZVXRULZKQB-HNNXBMFYSA-N 1 0 314.404 3.293 20 10 DGCDRO CC[C@@H](C)[C@H](C[N@H+](C)CCN(C)c1ccc(OC)cc1)OC ZINC001658486676 1196262675 /nfs/dbraw/zinc/26/26/75/1196262675.db2.gz GWOUXSJNIAYQQS-QAPCUYQASA-N 1 0 308.466 3.124 20 10 DGCDRO CCCSC[C@@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001658537443 1196270688 /nfs/dbraw/zinc/27/06/88/1196270688.db2.gz FSMAYZJOJGZLPT-CABCVRRESA-N 1 0 308.491 3.395 20 10 DGCDRO CCCSC[C@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001658537446 1196270988 /nfs/dbraw/zinc/27/09/88/1196270988.db2.gz FSMAYZJOJGZLPT-LSDHHAIUSA-N 1 0 308.491 3.395 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CCc1ccc2c(c1)OCCCO2 ZINC001658922735 1196320240 /nfs/dbraw/zinc/32/02/40/1196320240.db2.gz ODGXHJFMIHQOCJ-UHFFFAOYSA-N 1 0 317.360 3.025 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CCc1ccnn1-c1ccccc1 ZINC001658926605 1196320473 /nfs/dbraw/zinc/32/04/73/1196320473.db2.gz NKQYGDAZQRADCT-UHFFFAOYSA-N 1 0 311.360 3.049 20 10 DGCDRO CCOC(=O)[C@@H]1CCCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC001659002634 1196331384 /nfs/dbraw/zinc/33/13/84/1196331384.db2.gz LJKNWVFGLNYTMX-DVBCCOPCSA-N 1 0 316.445 3.183 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC001659433969 1196382845 /nfs/dbraw/zinc/38/28/45/1196382845.db2.gz ADWQLUDEWUPGCC-UHFFFAOYSA-N 1 0 319.445 3.145 20 10 DGCDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1F ZINC001659815638 1196417297 /nfs/dbraw/zinc/41/72/97/1196417297.db2.gz PGLVXHNBZQKICI-LBPRGKRZSA-N 1 0 302.349 3.129 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1 ZINC001660049255 1196440435 /nfs/dbraw/zinc/44/04/35/1196440435.db2.gz FZFOLHPIWCFKLA-INIZCTEOSA-N 1 0 304.434 3.005 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(Br)CC2)cc1 ZINC001660131487 1196449696 /nfs/dbraw/zinc/44/96/96/1196449696.db2.gz KTRGICXIEINJRM-ONEGZZNKSA-N 1 0 309.251 3.283 20 10 DGCDRO COc1cc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)ccn1 ZINC001660449223 1196485291 /nfs/dbraw/zinc/48/52/91/1196485291.db2.gz GYWUGJRPDFPZBU-UHFFFAOYSA-N 1 0 306.793 3.090 20 10 DGCDRO COc1nc2ccccc2cc1CN1Cc2cccc(O)c2C1 ZINC001660549789 1196496115 /nfs/dbraw/zinc/49/61/15/1196496115.db2.gz KIOQYXIZTQVGDU-UHFFFAOYSA-N 1 0 306.365 3.465 20 10 DGCDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001660601149 1196501865 /nfs/dbraw/zinc/50/18/65/1196501865.db2.gz HLUDKZDPUVRLMD-GUYCJALGSA-N 1 0 323.820 3.129 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c(O)c1 ZINC001660648545 1196508469 /nfs/dbraw/zinc/50/84/69/1196508469.db2.gz HREKYUBKUFQQBY-CQSZACIVSA-N 1 0 303.324 3.484 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2COc3c(F)cc(F)cc3C2)c(O)c1 ZINC001660881600 1196538292 /nfs/dbraw/zinc/53/82/92/1196538292.db2.gz BRDUKCMXARTMOG-CQSZACIVSA-N 1 0 305.324 3.072 20 10 DGCDRO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001661228699 1196584796 /nfs/dbraw/zinc/58/47/96/1196584796.db2.gz OPOWJQDHOPKHJH-UHFFFAOYSA-N 1 0 319.408 3.405 20 10 DGCDRO CCn1cnc(Cl)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC001661401752 1196601545 /nfs/dbraw/zinc/60/15/45/1196601545.db2.gz DDZXKHZBIKBLDK-UHFFFAOYSA-N 1 0 306.841 3.221 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)COC3)cc1F ZINC001661736814 1196638089 /nfs/dbraw/zinc/63/80/89/1196638089.db2.gz VJDOGWNKBPBDAM-UHFFFAOYSA-N 1 0 300.377 3.212 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](c1nncn1C)C(C)C ZINC001662427646 1196720578 /nfs/dbraw/zinc/72/05/78/1196720578.db2.gz OJSQMRXJEUFZNV-KRWDZBQOSA-N 1 0 311.433 3.102 20 10 DGCDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001662628271 1196734955 /nfs/dbraw/zinc/73/49/55/1196734955.db2.gz FNLNUWUYRRVUPW-SJLPKXTDSA-N 1 0 319.468 3.102 20 10 DGCDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001663076627 1196790368 /nfs/dbraw/zinc/79/03/68/1196790368.db2.gz IJOSCVKVZZRGPP-ZDUSSCGKSA-N 1 0 318.383 3.412 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2OCc3ccccc32)cc1F ZINC001663475106 1196879319 /nfs/dbraw/zinc/87/93/19/1196879319.db2.gz VKDUBBAAWWEDNL-GOSISDBHSA-N 1 0 318.367 3.392 20 10 DGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c(C)cc1O ZINC001663641611 1196919961 /nfs/dbraw/zinc/91/99/61/1196919961.db2.gz SCTWTVIDRCCKJJ-CABCVRRESA-N 1 0 308.853 3.413 20 10 DGCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001664576820 1197016121 /nfs/dbraw/zinc/01/61/21/1197016121.db2.gz JUARNGCBWISNJF-INIZCTEOSA-N 1 0 321.367 3.360 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC001664631173 1197023940 /nfs/dbraw/zinc/02/39/40/1197023940.db2.gz YKYBRGKEFRSVMV-UHFFFAOYSA-N 1 0 319.788 3.430 20 10 DGCDRO Cc1ccc(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c(O)c1 ZINC001664810364 1197062422 /nfs/dbraw/zinc/06/24/22/1197062422.db2.gz AJOCMTFIWSKGCI-ZDUSSCGKSA-N 1 0 303.324 3.242 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c1O ZINC001665112017 1197097785 /nfs/dbraw/zinc/09/77/85/1197097785.db2.gz JBYNKMKSNVYLIF-MRXNPFEDSA-N 1 0 307.434 3.411 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC001665269026 1197117020 /nfs/dbraw/zinc/11/70/20/1197117020.db2.gz BBAYKFYFPIULEM-IBGZPJMESA-N 1 0 304.478 3.482 20 10 DGCDRO COC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)C(C)C ZINC001665740981 1197185363 /nfs/dbraw/zinc/18/53/63/1197185363.db2.gz DKUJIXTXQPAVLL-GFCCVEGCSA-N 1 0 316.239 3.163 20 10 DGCDRO CC/C=C(/C)C(=O)N[C@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001667994570 1197394708 /nfs/dbraw/zinc/39/47/08/1197394708.db2.gz UOOFZFHEBPXNAK-ACQAZONXSA-N 1 0 318.461 3.344 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC(=O)N1CCCCC1 ZINC000322661343 1197687813 /nfs/dbraw/zinc/68/78/13/1197687813.db2.gz FYCVAOUACQKONV-HUUCEWRRSA-N 1 0 316.445 3.241 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCc1nnc2ccccn21 ZINC000323914138 1197691019 /nfs/dbraw/zinc/69/10/19/1197691019.db2.gz GSRFIUGLPJUKOG-ZIAGYGMSSA-N 1 0 322.412 3.124 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C=C(C)C)cc1C ZINC001675847881 1198156457 /nfs/dbraw/zinc/15/64/57/1198156457.db2.gz PGVSCKRAFUUWLG-MRXNPFEDSA-N 1 0 318.461 3.344 20 10 DGCDRO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000318300620 1199830436 /nfs/dbraw/zinc/83/04/36/1199830436.db2.gz NOUPBPAQTZNHIC-WBVHZDCISA-N 1 0 309.450 3.076 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)C(C)C)cc1C ZINC001754007464 1200070390 /nfs/dbraw/zinc/07/03/90/1200070390.db2.gz MYBUVYWZLVIRII-JKSUJKDBSA-N 1 0 320.477 3.280 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CSCCS1 ZINC000125218312 1200368675 /nfs/dbraw/zinc/36/86/75/1200368675.db2.gz NZEOVXGDQHRJTD-INIZCTEOSA-N 1 0 308.516 3.225 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)CC2(C)CC2)cc1C ZINC001690854500 1200752163 /nfs/dbraw/zinc/75/21/63/1200752163.db2.gz HUDZTIMKSFXAIG-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@@H](CNC(=O)CC(C)(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698589808 1201264461 /nfs/dbraw/zinc/26/44/61/1201264461.db2.gz BHCSWUNDXPCEIE-INIZCTEOSA-N 1 0 320.477 3.424 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C(C)(C)C)cc1C ZINC001699408944 1201844645 /nfs/dbraw/zinc/84/46/45/1201844645.db2.gz NYYAMXKOOFJEFZ-LSDHHAIUSA-N 1 0 320.477 3.280 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)cc1 ZINC000273077762 1202763651 /nfs/dbraw/zinc/76/36/51/1202763651.db2.gz IIBYKTMOQKQUGZ-HXUWFJFHSA-N 1 0 320.440 3.365 20 10 DGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)C(C)(C)C)cc1C ZINC001714722879 1203109416 /nfs/dbraw/zinc/10/94/16/1203109416.db2.gz SPDFSGAXFIXACF-HNNXBMFYSA-N 1 0 320.477 3.234 20 10 DGCDRO CC[C@H](CNC(=O)CC1CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715054012 1203256444 /nfs/dbraw/zinc/25/64/44/1203256444.db2.gz SHIIVXJKAJEGNX-QGZVFWFLSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@H](CNC(=O)[C@@H](C)C(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715073264 1203263389 /nfs/dbraw/zinc/26/33/89/1203263389.db2.gz HWOJJAZMFPACSQ-DOTOQJQBSA-N 1 0 320.477 3.280 20 10 DGCDRO C=C/C(C)=C/CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715989638 1203416860 /nfs/dbraw/zinc/41/68/60/1203416860.db2.gz GUIWXILMZNYIIK-KAMPRCONSA-N 1 0 316.445 3.120 20 10 DGCDRO CC[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001733165592 1205031374 /nfs/dbraw/zinc/03/13/74/1205031374.db2.gz USKPTJXOQSQXLF-CXAGYDPISA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Br)ccc1O ZINC000401993775 1093982916 /nfs/dbraw/zinc/98/29/16/1093982916.db2.gz MTYFVTCZOFDIDC-CDMKHQONSA-N 1 0 314.223 3.373 20 10 DGCDRO COc1cc(O)c(C[NH+]2C3CCC2CC3)cc1Br ZINC001233140667 1098236645 /nfs/dbraw/zinc/23/66/45/1098236645.db2.gz QLVCSVRSURQPSZ-UHFFFAOYSA-N 1 0 312.207 3.290 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H](OC)C2CCCCC2)c(O)c1 ZINC001206810497 1081694538 /nfs/dbraw/zinc/69/45/38/1081694538.db2.gz SLZBEGOZTMYDDY-SFHVURJKSA-N 1 0 307.434 3.394 20 10 DGCDRO CCC[C@H](CCO)C[NH2+]Cc1ccc(Br)cc1O ZINC000691490020 1081923833 /nfs/dbraw/zinc/92/38/33/1081923833.db2.gz VFLPTDFLGPNWNO-LLVKDONJSA-N 1 0 316.239 3.043 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1O ZINC000398005252 1082053451 /nfs/dbraw/zinc/05/34/51/1082053451.db2.gz GRDZMXAUVPVJRG-APWZRJJASA-N 1 0 310.441 3.453 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCSC1 ZINC000706871979 1082152676 /nfs/dbraw/zinc/15/26/76/1082152676.db2.gz ARUHUUWAQAEOAK-SECBINFHSA-N 1 0 302.237 3.140 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)ccc1N1CCCCC1 ZINC001170398512 1082361289 /nfs/dbraw/zinc/36/12/89/1082361289.db2.gz DETYWJAITZHUHS-MSOLQXFVSA-N 1 0 302.462 3.234 20 10 DGCDRO COCc1cc(OC)ccc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167626887 1082622410 /nfs/dbraw/zinc/62/24/10/1082622410.db2.gz WTDCJBJZIWWEKB-UHFFFAOYSA-N 1 0 306.450 3.326 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c1 ZINC001140622853 1082655529 /nfs/dbraw/zinc/65/55/29/1082655529.db2.gz BYZODQWORMHXBS-CQSZACIVSA-N 1 0 305.418 3.254 20 10 DGCDRO CCCC(C)(C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133176407 1083066604 /nfs/dbraw/zinc/06/66/04/1083066604.db2.gz XUQLKCBBLHTDNP-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C2(C)CCCCC2)cc1C ZINC001133278761 1083089041 /nfs/dbraw/zinc/08/90/41/1083089041.db2.gz YJUFQNAHOSLVKN-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(C)CC2)cc1C ZINC001134435837 1083291533 /nfs/dbraw/zinc/29/15/33/1083291533.db2.gz QFMRKIBDPLTZPO-CABCVRRESA-N 1 0 318.461 3.177 20 10 DGCDRO CC[C@@H]1C[C@H]1CN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001167741289 1083366837 /nfs/dbraw/zinc/36/68/37/1083366837.db2.gz SIGYSJSCXUJUTH-NEPJUHHUSA-N 1 0 311.809 3.067 20 10 DGCDRO CN(C)c1cc(F)c(CN2CC(C)(C)OC(C)(C)C2)cc1F ZINC001180936164 1083371695 /nfs/dbraw/zinc/37/16/95/1083371695.db2.gz VDQZGCIMAHAYAG-UHFFFAOYSA-N 1 0 312.404 3.420 20 10 DGCDRO C[C@@](O)(CC[NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001181114144 1083407434 /nfs/dbraw/zinc/40/74/34/1083407434.db2.gz SBZRILNYFPZOKS-QGZVFWFLSA-N 1 0 305.805 3.433 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCOc3cc(OC)ccc3C2)c1O ZINC001181184207 1083424489 /nfs/dbraw/zinc/42/44/89/1083424489.db2.gz FMTMJLCCMIZLDC-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(CC)c1O ZINC001181762981 1083532986 /nfs/dbraw/zinc/53/29/86/1083532986.db2.gz FRWHTHWKBUXOOC-CVEARBPZSA-N 1 0 305.418 3.166 20 10 DGCDRO CC/C(C)=C/C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001182405119 1083704624 /nfs/dbraw/zinc/70/46/24/1083704624.db2.gz BCRITJFSCBWPOQ-IDKBZEPQSA-N 1 0 316.445 3.050 20 10 DGCDRO CCC(C)(C)[NH+]1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001182634686 1083761255 /nfs/dbraw/zinc/76/12/55/1083761255.db2.gz NKGULGCPVVGXFY-UHFFFAOYSA-N 1 0 314.832 3.491 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2Cc3ccccc3NC2=O)c1 ZINC001183270046 1083915619 /nfs/dbraw/zinc/91/56/19/1083915619.db2.gz PVDXMMOBZJJONG-KRWDZBQOSA-N 1 0 310.397 3.169 20 10 DGCDRO CCc1cccc(C[N@H+](C)CCc2ccc3c(c2)OCO3)c1O ZINC001183842143 1084040398 /nfs/dbraw/zinc/04/03/98/1084040398.db2.gz ADIMZGDEFRMQKG-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c(O)c1 ZINC001183980734 1084080747 /nfs/dbraw/zinc/08/07/47/1084080747.db2.gz DVQIUJDGISFYJS-ZDUSSCGKSA-N 1 0 307.434 3.393 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]CC1SCCS1 ZINC000692888201 1084141353 /nfs/dbraw/zinc/14/13/53/1084141353.db2.gz IBXNUQSQQZUBOC-UHFFFAOYSA-N 1 0 320.277 3.050 20 10 DGCDRO CC/C=C(/C)C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481794195 1084637708 /nfs/dbraw/zinc/63/77/08/1084637708.db2.gz NDOZZVUCCBXLDL-XMCSSRMMSA-N 1 0 318.461 3.344 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1(C)CCC1 ZINC001268472041 1084678821 /nfs/dbraw/zinc/67/88/21/1084678821.db2.gz XJTBQSYIEAUYMA-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@]1(O)C(F)(F)F ZINC001203651817 1084739142 /nfs/dbraw/zinc/73/91/42/1084739142.db2.gz XMIHREVPGDCVCO-ZANVPECISA-N 1 0 323.742 3.181 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2=CCCC2)cc1C ZINC001270939786 1086204677 /nfs/dbraw/zinc/20/46/77/1086204677.db2.gz VLYPJFRXVIXYLB-OAHLLOKOSA-N 1 0 316.445 3.050 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCO[C@@H](C)C2)C1 ZINC001168129926 1086958813 /nfs/dbraw/zinc/95/88/13/1086958813.db2.gz BDXVZXRECYXMDQ-UONOGXRCSA-N 1 0 314.429 3.113 20 10 DGCDRO C[N@H+](Cc1cccc2c1OCO2)Cc1cc(F)c(F)cc1[O-] ZINC001142534653 1087279574 /nfs/dbraw/zinc/27/95/74/1087279574.db2.gz QVWRPYPBZPFZOP-UHFFFAOYSA-N 1 0 307.296 3.031 20 10 DGCDRO Cc1c[nH+]c(NCc2cc(Br)ccc2O)c(N)c1 ZINC001160019599 1088604977 /nfs/dbraw/zinc/60/49/77/1088604977.db2.gz NYNALGNYEDZEEI-UHFFFAOYSA-N 1 0 308.179 3.052 20 10 DGCDRO Nc1ccc(N(CC2CC[NH2+]CC2)c2c(N)cccc2F)cc1 ZINC001160121655 1088649939 /nfs/dbraw/zinc/64/99/39/1088649939.db2.gz LCUSYHLDUOHQPE-UHFFFAOYSA-N 1 0 314.408 3.128 20 10 DGCDRO CO[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000691682480 1088738461 /nfs/dbraw/zinc/73/84/61/1088738461.db2.gz PMRMCHPPHQWNQC-ZDUSSCGKSA-N 1 0 314.223 3.156 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)cc1 ZINC001206654319 1089015707 /nfs/dbraw/zinc/01/57/07/1089015707.db2.gz BLLYSAVDAANZCY-QGZVFWFLSA-N 1 0 319.399 3.262 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H](C)C(C)C)cc1C ZINC001155656583 1089200864 /nfs/dbraw/zinc/20/08/64/1089200864.db2.gz MGBDWXPXFLAJKD-OAHLLOKOSA-N 1 0 320.477 3.282 20 10 DGCDRO COc1ccc(C[NH2+]C2(CNC(=O)C=C(C)C)CCC2)cc1C ZINC001484622713 1089547109 /nfs/dbraw/zinc/54/71/09/1089547109.db2.gz BSFHVSLVKMXPFE-UHFFFAOYSA-N 1 0 316.445 3.098 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]([NH3+])C(C)(C)C ZINC001157434250 1089965408 /nfs/dbraw/zinc/96/54/08/1089965408.db2.gz OALXKYLHOZACPV-JKSUJKDBSA-N 1 0 318.461 3.122 20 10 DGCDRO CCOc1cccc(N2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC001203558593 1090615225 /nfs/dbraw/zinc/61/52/25/1090615225.db2.gz OFRJCBBOGYJCOD-UHFFFAOYSA-N 1 0 312.413 3.113 20 10 DGCDRO CCCc1noc([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC001203558661 1090616470 /nfs/dbraw/zinc/61/64/70/1090616470.db2.gz SXDIBKJYAFKFGT-CQSZACIVSA-N 1 0 301.390 3.107 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC(N2CCc3ccccc3C2)CC1 ZINC001203558677 1090616605 /nfs/dbraw/zinc/61/66/05/1090616605.db2.gz UTUGMNIVXKOCCC-UHFFFAOYSA-N 1 0 322.452 3.415 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000715667236 1090676760 /nfs/dbraw/zinc/67/67/60/1090676760.db2.gz LKWJVKDXLYEJAV-QGZVFWFLSA-N 1 0 316.445 3.062 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccccc2O)C1 ZINC001203556033 1090754383 /nfs/dbraw/zinc/75/43/83/1090754383.db2.gz IWEXARJFWSNSFJ-UHFFFAOYSA-N 1 0 322.408 3.451 20 10 DGCDRO O=C1CC2(CC[NH+](Cc3ccccc3O)CC2)c2ccccc2N1 ZINC001203556386 1090755747 /nfs/dbraw/zinc/75/57/47/1090755747.db2.gz OHCGXXKVCVAVNO-UHFFFAOYSA-N 1 0 322.408 3.268 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001203561658 1090756437 /nfs/dbraw/zinc/75/64/37/1090756437.db2.gz XRLRTYHJLLEOQB-MJGOQNOKSA-N 1 0 308.425 3.099 20 10 DGCDRO CCOC(=O)C1(C(C)C)CC[NH+](Cc2ccccc2O)CC1 ZINC001203560680 1090756668 /nfs/dbraw/zinc/75/66/68/1090756668.db2.gz GGRHWZKPSGZFFH-UHFFFAOYSA-N 1 0 305.418 3.194 20 10 DGCDRO CN(C(=O)c1ccccc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203561250 1090756978 /nfs/dbraw/zinc/75/69/78/1090756978.db2.gz NPWQHDMVWQFYRJ-UHFFFAOYSA-N 1 0 324.424 3.129 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c1O ZINC001203599589 1090764735 /nfs/dbraw/zinc/76/47/35/1090764735.db2.gz JFCOIKIGSSNAME-AWEZNQCLSA-N 1 0 321.417 3.097 20 10 DGCDRO CCOc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c1O ZINC001203609993 1090766545 /nfs/dbraw/zinc/76/65/45/1090766545.db2.gz QVHHAFRDHFJGMB-VNQPRFMTSA-N 1 0 305.418 3.038 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001203628519 1090769367 /nfs/dbraw/zinc/76/93/67/1090769367.db2.gz AHKMRSPRDXWSAQ-GOSISDBHSA-N 1 0 313.397 3.444 20 10 DGCDRO COc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](C)C2)c(O)c1 ZINC001203634985 1090770453 /nfs/dbraw/zinc/77/04/53/1090770453.db2.gz FDMOAYDKNZGFMU-HNNXBMFYSA-N 1 0 318.461 3.240 20 10 DGCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665630 1090775992 /nfs/dbraw/zinc/77/59/92/1090775992.db2.gz QIAOPXBWGJQPOD-GFCCVEGCSA-N 1 0 311.809 3.211 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1 ZINC001203681085 1090778951 /nfs/dbraw/zinc/77/89/51/1090778951.db2.gz OPDGZIXNYBSJGX-HNNXBMFYSA-N 1 0 311.381 3.106 20 10 DGCDRO c1ccc([C@@]2(C[NH2+]Cc3ccc4c(c3)CCO4)CCCO2)cc1 ZINC001203783183 1090803036 /nfs/dbraw/zinc/80/30/36/1090803036.db2.gz RLQVPVMUTAGNMV-FQEVSTJZSA-N 1 0 309.409 3.417 20 10 DGCDRO Oc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)cc1O ZINC001203877629 1090825456 /nfs/dbraw/zinc/82/54/56/1090825456.db2.gz UXLYQXLMTAPBNM-GJYPPUQNSA-N 1 0 317.429 3.125 20 10 DGCDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203881107 1090826100 /nfs/dbraw/zinc/82/61/00/1090826100.db2.gz LSQWNNHXHHSQSF-ZDUSSCGKSA-N 1 0 301.386 3.169 20 10 DGCDRO COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203881651 1090826494 /nfs/dbraw/zinc/82/64/94/1090826494.db2.gz SDYMUCNKASJAKR-MRXNPFEDSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1C ZINC001203898038 1090832266 /nfs/dbraw/zinc/83/22/66/1090832266.db2.gz AUGDZPKHCHJKTH-UHFFFAOYSA-N 1 0 313.397 3.363 20 10 DGCDRO CN(C)c1ccc(CN2CCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC001203934571 1090842560 /nfs/dbraw/zinc/84/25/60/1090842560.db2.gz WXSLHULLKSKQTN-LJQANCHMSA-N 1 0 301.478 3.203 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C)(C(=O)OC)CC2)cc1 ZINC001203938953 1090843931 /nfs/dbraw/zinc/84/39/31/1090843931.db2.gz GOZGSKQKVJDPIQ-UHFFFAOYSA-N 1 0 318.461 3.308 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[NH+](CC3CC3)CC2)cc1 ZINC001203939035 1090844551 /nfs/dbraw/zinc/84/45/51/1090844551.db2.gz JIDUGNDQIQXSMS-UHFFFAOYSA-N 1 0 301.478 3.060 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)[C@H]2C)cc1 ZINC001203942412 1090846188 /nfs/dbraw/zinc/84/61/88/1090846188.db2.gz PMUUKCZFBIDTRU-CRAIPNDOSA-N 1 0 318.461 3.306 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)cc1 ZINC001203946509 1090848484 /nfs/dbraw/zinc/84/84/84/1090848484.db2.gz UNNQZCIAYVZGDX-WMZOPIPTSA-N 1 0 300.446 3.334 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2CC(OC)(OC)C2)cc1C ZINC001204104072 1090903633 /nfs/dbraw/zinc/90/36/33/1090903633.db2.gz OGYLYGXLNAIRHS-UHFFFAOYSA-N 1 0 307.434 3.273 20 10 DGCDRO CCOC(OCC)[C@@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001204137436 1090906981 /nfs/dbraw/zinc/90/69/81/1090906981.db2.gz VZNDINVLJGBFIM-CQSZACIVSA-N 1 0 304.434 3.364 20 10 DGCDRO CN(CC(F)F)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001204163663 1090910638 /nfs/dbraw/zinc/91/06/38/1090910638.db2.gz RZWHYXBUWPUMQN-UHFFFAOYSA-N 1 0 318.795 3.207 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@]1(C)O ZINC001204233590 1090930013 /nfs/dbraw/zinc/93/00/13/1090930013.db2.gz RWJAFLJZHGTVHL-QRWLVFNGSA-N 1 0 312.457 3.499 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCC[C@@H]1O ZINC001204232628 1090930130 /nfs/dbraw/zinc/93/01/30/1090930130.db2.gz GTTTWFXPWBXVOQ-QRWLVFNGSA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCc3nn(C)cc3C2)c2ccccc21 ZINC001204240063 1090931599 /nfs/dbraw/zinc/93/15/99/1090931599.db2.gz HCODFCRDDWTTSL-UHFFFAOYSA-N 1 0 320.440 3.198 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c2ccccc21 ZINC001204243345 1090934165 /nfs/dbraw/zinc/93/41/65/1090934165.db2.gz XVGAJUIFDGADHO-IYBDPMFKSA-N 1 0 308.425 3.317 20 10 DGCDRO Oc1ccc(C[NH+]2CCC3(COc4ccccc43)CC2)c(O)c1 ZINC001204277721 1090938379 /nfs/dbraw/zinc/93/83/79/1090938379.db2.gz JAYFDNKSZQVPJU-UHFFFAOYSA-N 1 0 311.381 3.024 20 10 DGCDRO COc1cccc(C2CC[NH+](Cc3ccc(O)cc3O)CC2)c1 ZINC001204278257 1090939362 /nfs/dbraw/zinc/93/93/62/1090939362.db2.gz ZYYRAMUZRYIMDL-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(O)cc3O)CC2)c(C)c1 ZINC001204279175 1090939426 /nfs/dbraw/zinc/93/94/26/1090939426.db2.gz SFBDZFRDPATCAD-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO C[N@H+](Cc1ccc(O)cc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001204282306 1090939572 /nfs/dbraw/zinc/93/95/72/1090939572.db2.gz PMJUVLPRBSJEEP-UHFFFAOYSA-N 1 0 318.461 3.327 20 10 DGCDRO c1cncc(O[C@@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC001204327028 1090949243 /nfs/dbraw/zinc/94/92/43/1090949243.db2.gz LSCLKVMLYFZPFD-HXUWFJFHSA-N 1 0 323.440 3.335 20 10 DGCDRO CN1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C2(CCCC2)C1 ZINC001204329296 1090950695 /nfs/dbraw/zinc/95/06/95/1090950695.db2.gz KRUYQRFPPURYPP-UHFFFAOYSA-N 1 0 313.489 3.347 20 10 DGCDRO CC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCN(C)CC1 ZINC001204327518 1090950844 /nfs/dbraw/zinc/95/08/44/1090950844.db2.gz WWBNGEOMHHRPGA-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO c1cc(O[C@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001204329093 1090951011 /nfs/dbraw/zinc/95/10/11/1090951011.db2.gz WTZJQPCCFZNGEV-FQEVSTJZSA-N 1 0 323.440 3.335 20 10 DGCDRO COc1cc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)cc(O)c1O ZINC001204346525 1090953212 /nfs/dbraw/zinc/95/32/12/1090953212.db2.gz TYFSLVQHRFRYMM-CYBMUJFWSA-N 1 0 309.381 3.211 20 10 DGCDRO CC[C@@H](C)[C@H](C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1)OC ZINC001204388416 1090959421 /nfs/dbraw/zinc/95/94/21/1090959421.db2.gz CAPFJGWFKOKWDK-KDOFPFPSSA-N 1 0 324.440 3.017 20 10 DGCDRO C[C@@]1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCCCO1 ZINC001205101918 1091102630 /nfs/dbraw/zinc/10/26/30/1091102630.db2.gz YOHVOEMNGXQVSA-HKUYNNGSSA-N 1 0 319.445 3.332 20 10 DGCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccc(N2CCCCC2)cc1 ZINC001138219697 1091118730 /nfs/dbraw/zinc/11/87/30/1091118730.db2.gz LWBILBVCBPPNMP-ICSRJNTNSA-N 1 0 313.489 3.203 20 10 DGCDRO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220601 1091120373 /nfs/dbraw/zinc/12/03/73/1091120373.db2.gz HQVDRDFXVJQNEQ-SFHVURJKSA-N 1 0 300.446 3.478 20 10 DGCDRO Cc1c(C[N@@H+]2CCC[C@@](O)(CF)CC2)c2ccccc2n1C ZINC001138253048 1091126074 /nfs/dbraw/zinc/12/60/74/1091126074.db2.gz ZXZZUKMBHPVOMZ-SFHVURJKSA-N 1 0 304.409 3.173 20 10 DGCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138257935 1091126444 /nfs/dbraw/zinc/12/64/44/1091126444.db2.gz DWFDBADQZYREDB-UKRRQHHQSA-N 1 0 314.429 3.118 20 10 DGCDRO Cc1c(C[NH+]2CCC3(CCOC3=O)CC2)c2ccccc2n1C ZINC001138260156 1091128311 /nfs/dbraw/zinc/12/83/11/1091128311.db2.gz WXFMMIIHRULBSF-UHFFFAOYSA-N 1 0 312.413 3.016 20 10 DGCDRO CC1CC([N@H+](C)Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337958 1091145002 /nfs/dbraw/zinc/14/50/02/1091145002.db2.gz HYEXSLFCAHRDRB-UHFFFAOYSA-N 1 0 300.446 3.321 20 10 DGCDRO Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c(O)c1 ZINC001205254357 1091151179 /nfs/dbraw/zinc/15/11/79/1091151179.db2.gz ZSEBGMDYSPPEJO-IBGZPJMESA-N 1 0 311.425 3.474 20 10 DGCDRO CN1CCCc2cc(CN3CC[N@H+](C)CC34CCCC4)ccc21 ZINC001138359170 1091151746 /nfs/dbraw/zinc/15/17/46/1091151746.db2.gz LVYXDRAOJYULBA-UHFFFAOYSA-N 1 0 313.489 3.129 20 10 DGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138357506 1091151826 /nfs/dbraw/zinc/15/18/26/1091151826.db2.gz HDTIWAMOLKXJEX-SFHVURJKSA-N 1 0 302.462 3.460 20 10 DGCDRO CN1CCCc2cc(C[N@H+](CCO)Cc3cccs3)ccc21 ZINC001138358417 1091151870 /nfs/dbraw/zinc/15/18/70/1091151870.db2.gz QUDBIMHOYPIZGW-UHFFFAOYSA-N 1 0 316.470 3.125 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CCC4(CCCOC4)CC3)ccc21 ZINC001138357128 1091152732 /nfs/dbraw/zinc/15/27/32/1091152732.db2.gz BSJQVKFZCRMFRI-UHFFFAOYSA-N 1 0 314.473 3.462 20 10 DGCDRO COc1ccc(F)cc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001138376961 1091157980 /nfs/dbraw/zinc/15/79/80/1091157980.db2.gz ZBIJYVPKMRCMFB-UHFFFAOYSA-N 1 0 317.360 3.194 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](COC)C2)c(OC)c1 ZINC001138386219 1091161161 /nfs/dbraw/zinc/16/11/61/1091161161.db2.gz KCQPXXMXMUUVHA-HNNXBMFYSA-N 1 0 306.450 3.010 20 10 DGCDRO CCN(CC)c1ccc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c(OC)c1 ZINC001138386688 1091161398 /nfs/dbraw/zinc/16/13/98/1091161398.db2.gz SWJJPKVVLHRKCX-JKSUJKDBSA-N 1 0 319.493 3.066 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC001138497035 1091206425 /nfs/dbraw/zinc/20/64/25/1091206425.db2.gz YNWFQFFHODXNRE-DLBZAZTESA-N 1 0 302.462 3.391 20 10 DGCDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C)cc1O ZINC001205589057 1091268695 /nfs/dbraw/zinc/26/86/95/1091268695.db2.gz JNTWQOBLHWIMJN-SFHVURJKSA-N 1 0 305.418 3.398 20 10 DGCDRO [NH3+]C[C@]1(F)CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205591412 1091270973 /nfs/dbraw/zinc/27/09/73/1091270973.db2.gz MERHBIXPGSYGOY-AWEZNQCLSA-N 1 0 321.223 3.352 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]CC(=O)Nc2cccc(F)c2)c1 ZINC001205706641 1091318719 /nfs/dbraw/zinc/31/87/19/1091318719.db2.gz QOSRWTIHDYTPDH-UHFFFAOYSA-N 1 0 316.376 3.383 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c(O)c1 ZINC001205890347 1091395753 /nfs/dbraw/zinc/39/57/53/1091395753.db2.gz RZYPZXYRVJRDII-SJLPKXTDSA-N 1 0 309.450 3.088 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c(O)c1 ZINC001205890345 1091396035 /nfs/dbraw/zinc/39/60/35/1091396035.db2.gz RZYPZXYRVJRDII-AEFFLSMTSA-N 1 0 309.450 3.088 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1c(N)c(OC)ccc1OC ZINC001139277712 1091507989 /nfs/dbraw/zinc/50/79/89/1091507989.db2.gz HHSBBAGHPQBISN-UHFFFAOYSA-N 1 0 316.401 3.014 20 10 DGCDRO Cc1cc(O)c(CN2CCCC[C@](F)(C[NH3+])C2)cc1Cl ZINC001206363660 1091599827 /nfs/dbraw/zinc/59/98/27/1091599827.db2.gz ZLEKFTLPFUAQSV-HNNXBMFYSA-N 1 0 300.805 3.007 20 10 DGCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674568 1091639810 /nfs/dbraw/zinc/63/98/10/1091639810.db2.gz WNMQHBPIISUQQS-KRWDZBQOSA-N 1 0 318.461 3.226 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(C(C)C)ccc1O)C1CCOCC1 ZINC001206644865 1091696622 /nfs/dbraw/zinc/69/66/22/1091696622.db2.gz KIRSLLNCJCKZSJ-QGZVFWFLSA-N 1 0 307.434 3.047 20 10 DGCDRO Cc1ccc(CC[NH2+]Cc2ccc(Br)cc2O)o1 ZINC000691405702 1091738344 /nfs/dbraw/zinc/73/83/44/1091738344.db2.gz GFOUYOPHCBPMAV-UHFFFAOYSA-N 1 0 310.191 3.388 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]C1Cc2ccccc2C1 ZINC000691407836 1091738678 /nfs/dbraw/zinc/73/86/78/1091738678.db2.gz REVKTPPSEHKUIY-UHFFFAOYSA-N 1 0 318.214 3.412 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccccc1-c1cncnc1)CC2 ZINC001140021565 1091741765 /nfs/dbraw/zinc/74/17/65/1091741765.db2.gz VXCVMAALODTUNF-UHFFFAOYSA-N 1 0 317.392 3.408 20 10 DGCDRO CN1CC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1c1ccccc1 ZINC001140055835 1091751432 /nfs/dbraw/zinc/75/14/32/1091751432.db2.gz XFTZCCTZGDPLOQ-QGZVFWFLSA-N 1 0 300.377 3.020 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001140055727 1091751488 /nfs/dbraw/zinc/75/14/88/1091751488.db2.gz RCOCITVNVJHXGF-MRXNPFEDSA-N 1 0 305.324 3.324 20 10 DGCDRO C[C@]1(c2ccc(F)cc2)CN(Cc2cc(F)ccc2O)CCO1 ZINC001140059146 1091751514 /nfs/dbraw/zinc/75/15/14/1091751514.db2.gz VQCFEMUOURCZNR-GOSISDBHSA-N 1 0 319.351 3.418 20 10 DGCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)c1 ZINC001140060160 1091754361 /nfs/dbraw/zinc/75/43/61/1091754361.db2.gz NJNPCYPVBDSIGV-INIZCTEOSA-N 1 0 316.376 3.278 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCc3cnc(C4CC4)nc3C2)c1O ZINC001140184910 1091794576 /nfs/dbraw/zinc/79/45/76/1091794576.db2.gz KRLHPPYJFKRBIQ-UHFFFAOYSA-N 1 0 309.413 3.235 20 10 DGCDRO Cc1ccc(C)c(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c1O ZINC001140186070 1091794898 /nfs/dbraw/zinc/79/48/98/1091794898.db2.gz ZHDVVZBFNHRGKI-ROUUACIJSA-N 1 0 320.452 3.407 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)no1 ZINC001140184052 1091795533 /nfs/dbraw/zinc/79/55/33/1091795533.db2.gz LBDJDNRGBOQSAI-UHFFFAOYSA-N 1 0 315.417 3.334 20 10 DGCDRO C[C@@]1(F)CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282878 1091814910 /nfs/dbraw/zinc/81/49/10/1091814910.db2.gz IXFQNVBNKJJSTF-LJQANCHMSA-N 1 0 320.452 3.362 20 10 DGCDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285324 1091816575 /nfs/dbraw/zinc/81/65/75/1091816575.db2.gz IYIHMHSEQCBYAJ-JKSUJKDBSA-N 1 0 302.462 3.268 20 10 DGCDRO CCN1C(=O)CCC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140339577 1091833593 /nfs/dbraw/zinc/83/35/93/1091833593.db2.gz XPTWPCNJFNWQQV-UHFFFAOYSA-N 1 0 322.836 3.023 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCc2cc3c(cc2C1)OCO3 ZINC001140338176 1091834055 /nfs/dbraw/zinc/83/40/55/1091834055.db2.gz YOGPIVWDCNHSDK-UHFFFAOYSA-N 1 0 317.772 3.333 20 10 DGCDRO COC(=O)c1cccc(CN(C)Cc2c(O)cccc2Cl)c1 ZINC001140341711 1091835005 /nfs/dbraw/zinc/83/50/05/1091835005.db2.gz DJNTWBLXAQCPDS-UHFFFAOYSA-N 1 0 319.788 3.464 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@H]1Cc2ccccc2O1 ZINC001140342575 1091835306 /nfs/dbraw/zinc/83/53/06/1091835306.db2.gz PQNCMZMPZVBYTC-CYBMUJFWSA-N 1 0 303.789 3.481 20 10 DGCDRO CC(C)CC(=O)NC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140343953 1091835331 /nfs/dbraw/zinc/83/53/31/1091835331.db2.gz ARDCCMBKWZOJRL-UHFFFAOYSA-N 1 0 324.852 3.172 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(-c3cncnc3)cc1)CC2 ZINC001140357366 1091841055 /nfs/dbraw/zinc/84/10/55/1091841055.db2.gz XMIKMYOYDMQTEE-UHFFFAOYSA-N 1 0 317.392 3.408 20 10 DGCDRO Cc1ccc(Cl)nc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001140447479 1091869088 /nfs/dbraw/zinc/86/90/88/1091869088.db2.gz ZCWBWKIAZBVUDP-UHFFFAOYSA-N 1 0 318.804 3.403 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@]1(O)C(F)(F)F ZINC001140461758 1091874360 /nfs/dbraw/zinc/87/43/60/1091874360.db2.gz SYBDWIKXDCTQGY-RNCFNFMXSA-N 1 0 323.742 3.181 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001140462858 1091876302 /nfs/dbraw/zinc/87/63/02/1091876302.db2.gz MSJHPVUHTVJIGX-ZANVPECISA-N 1 0 323.742 3.181 20 10 DGCDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465775 1091878538 /nfs/dbraw/zinc/87/85/38/1091878538.db2.gz UVIDJOIRJRMBSW-QGZVFWFLSA-N 1 0 322.836 3.023 20 10 DGCDRO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001207311173 1091920438 /nfs/dbraw/zinc/92/04/38/1091920438.db2.gz AUSGWXRVQZTCHU-GFCCVEGCSA-N 1 0 309.715 3.199 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c1 ZINC001140617668 1091932733 /nfs/dbraw/zinc/93/27/33/1091932733.db2.gz VNPFBPDCMBWVQJ-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO CC(C)NC(=O)c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001140618048 1091933135 /nfs/dbraw/zinc/93/31/35/1091933135.db2.gz YLNBTJXZKJAFKX-UHFFFAOYSA-N 1 0 324.424 3.089 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](Cc2cccnc2)C2CCOCC2)c1 ZINC001140621276 1091934902 /nfs/dbraw/zinc/93/49/02/1091934902.db2.gz SZAKMCINSCDYLW-UHFFFAOYSA-N 1 0 312.413 3.277 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC001140624223 1091936265 /nfs/dbraw/zinc/93/62/65/1091936265.db2.gz LRBAFNVVIXSDIO-ICSRJNTNSA-N 1 0 322.452 3.407 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC001140624131 1091936449 /nfs/dbraw/zinc/93/64/49/1091936449.db2.gz HLVXHPNVTXJOFR-CABCVRRESA-N 1 0 305.418 3.112 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)CC1CCCC1 ZINC001140663406 1091949509 /nfs/dbraw/zinc/94/95/09/1091949509.db2.gz CPRRTWQPFKGIKQ-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1O ZINC001140746185 1091983814 /nfs/dbraw/zinc/98/38/14/1091983814.db2.gz VOLBAOTVRCJICW-MRXNPFEDSA-N 1 0 317.360 3.199 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001140851001 1092029342 /nfs/dbraw/zinc/02/93/42/1092029342.db2.gz XYNSKLIFCXFSRF-HNNXBMFYSA-N 1 0 316.367 3.418 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001140850662 1092029725 /nfs/dbraw/zinc/02/97/25/1092029725.db2.gz PVWVSAQEHIDKIA-HNAYVOBHSA-N 1 0 320.477 3.221 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(O)c1 ZINC001140856130 1092030221 /nfs/dbraw/zinc/03/02/21/1092030221.db2.gz JHJMWHYLLTWKLA-PBHICJAKSA-N 1 0 316.445 3.039 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC001207658514 1092061174 /nfs/dbraw/zinc/06/11/74/1092061174.db2.gz OFRVINXWANGNIT-WBVHZDCISA-N 1 0 303.789 3.184 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(Cl)c1 ZINC001140925824 1092064821 /nfs/dbraw/zinc/06/48/21/1092064821.db2.gz WJJDWLQPQOTZGQ-KRWDZBQOSA-N 1 0 308.853 3.409 20 10 DGCDRO CC[N@H+](C)C1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925500 1092065069 /nfs/dbraw/zinc/06/50/69/1092065069.db2.gz CBXRZHZFQGUASQ-UHFFFAOYSA-N 1 0 309.885 3.322 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140926725 1092066658 /nfs/dbraw/zinc/06/66/58/1092066658.db2.gz RPLFVPMABAYRPJ-ZDUSSCGKSA-N 1 0 324.852 3.181 20 10 DGCDRO Cc1ccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001140953589 1092080050 /nfs/dbraw/zinc/08/00/50/1092080050.db2.gz CLLXAMKYTJIRFB-ROUUACIJSA-N 1 0 308.425 3.269 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)c(O)c1 ZINC001140954463 1092080157 /nfs/dbraw/zinc/08/01/57/1092080157.db2.gz SMJGZYJXDICXHQ-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140957984 1092080982 /nfs/dbraw/zinc/08/09/82/1092080982.db2.gz OVHYMOTUFHSQAD-HIFRSBDPSA-N 1 0 320.433 3.046 20 10 DGCDRO CC(=O)C1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141076052 1092129079 /nfs/dbraw/zinc/12/90/79/1092129079.db2.gz KUEZKBJPDFAIMM-UHFFFAOYSA-N 1 0 312.457 3.186 20 10 DGCDRO CCC1(O)CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141076060 1092130032 /nfs/dbraw/zinc/13/00/32/1092130032.db2.gz LAHDMXDVFYBFTR-UHFFFAOYSA-N 1 0 314.473 3.122 20 10 DGCDRO CC(C)[C@@H]1COCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078327 1092130889 /nfs/dbraw/zinc/13/08/89/1092130889.db2.gz RZPJAHNNORQXCI-IBGZPJMESA-N 1 0 314.473 3.242 20 10 DGCDRO CN1CCOc2cc(C[N@H+](C)CC/C=C/c3cccnc3)ccc21 ZINC001141144227 1092150398 /nfs/dbraw/zinc/15/03/98/1092150398.db2.gz FGFCJNGGLAROOH-ZZXKWVIFSA-N 1 0 323.440 3.446 20 10 DGCDRO CN1CCOc2cc(CN3CCc4ccc(F)cc4C3)ccc21 ZINC001141143941 1092150852 /nfs/dbraw/zinc/15/08/52/1092150852.db2.gz OSKBOMQUPDMZLF-UHFFFAOYSA-N 1 0 312.388 3.213 20 10 DGCDRO CN1CC2(C1)CCC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001276551141 1092154859 /nfs/dbraw/zinc/15/48/59/1092154859.db2.gz BKGSEFMDKVNBSC-UHFFFAOYSA-N 1 0 313.489 3.205 20 10 DGCDRO CN(Cc1cc(O)ccc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001141162887 1092157189 /nfs/dbraw/zinc/15/71/89/1092157189.db2.gz JHBJMZKZNOOJER-UHFFFAOYSA-N 1 0 318.461 3.327 20 10 DGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)c1 ZINC001141161831 1092157842 /nfs/dbraw/zinc/15/78/42/1092157842.db2.gz ZMDNKXNIECWSHI-SFHVURJKSA-N 1 0 313.397 3.279 20 10 DGCDRO CC[C@@H](C)CCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001168961436 1092464556 /nfs/dbraw/zinc/46/45/56/1092464556.db2.gz JYYVNAWYBKGZFW-OAHLLOKOSA-N 1 0 320.477 3.426 20 10 DGCDRO CC/C=C\CC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001208734121 1092481981 /nfs/dbraw/zinc/48/19/81/1092481981.db2.gz NTXWATNZIBYUFU-WAYWQWQTSA-N 1 0 304.434 3.182 20 10 DGCDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)nc1 ZINC001142530181 1092495307 /nfs/dbraw/zinc/49/53/07/1092495307.db2.gz ADUCVBZDWSVOJP-CYBMUJFWSA-N 1 0 320.339 3.027 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c1O ZINC001143104079 1092615230 /nfs/dbraw/zinc/61/52/30/1092615230.db2.gz PBVLXDUHVYERBT-GOSISDBHSA-N 1 0 309.425 3.376 20 10 DGCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110600 1092616869 /nfs/dbraw/zinc/61/68/69/1092616869.db2.gz KWKPMKCORKTPPU-HIFRSBDPSA-N 1 0 319.445 3.463 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC001143111117 1092617029 /nfs/dbraw/zinc/61/70/29/1092617029.db2.gz YDQMUDZLXRUTQQ-OAHLLOKOSA-N 1 0 314.433 3.118 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143111847 1092617175 /nfs/dbraw/zinc/61/71/75/1092617175.db2.gz GRKOTMGAWOQRBM-AWEZNQCLSA-N 1 0 319.445 3.465 20 10 DGCDRO CC[C@@H](C[N@H+](C)Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC001209466473 1092786127 /nfs/dbraw/zinc/78/61/27/1092786127.db2.gz OPWGPVWCNFZDBX-AWEZNQCLSA-N 1 0 308.422 3.127 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001209519947 1092807538 /nfs/dbraw/zinc/80/75/38/1092807538.db2.gz KOCLFLNOTUEBMN-BGYRXZFFSA-N 1 0 309.457 3.373 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210214886 1093080551 /nfs/dbraw/zinc/08/05/51/1093080551.db2.gz BMLYTEHTXSNNJZ-INIZCTEOSA-N 1 0 302.805 3.192 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC001120263949 1094397279 /nfs/dbraw/zinc/39/72/79/1094397279.db2.gz XQQQGRFOGXLBSU-QGZVFWFLSA-N 1 0 310.397 3.377 20 10 DGCDRO C[C@H]1[NH2+]CCC[C@@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217707409 1094479245 /nfs/dbraw/zinc/47/92/45/1094479245.db2.gz UFXBENRBMMSKBL-CJNGLKHVSA-N 1 0 308.385 3.383 20 10 DGCDRO CC[C@H](C)CCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135612480 1094599566 /nfs/dbraw/zinc/59/95/66/1094599566.db2.gz YQHMUCNERYOMQX-AWEZNQCLSA-N 1 0 306.450 3.036 20 10 DGCDRO Nc1ccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)cc1 ZINC001336286985 1094615938 /nfs/dbraw/zinc/61/59/38/1094615938.db2.gz VIFHCSJHDRETMJ-UHFFFAOYSA-N 1 0 300.377 3.203 20 10 DGCDRO Nc1ccc(C[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)cc1 ZINC001336285354 1094616015 /nfs/dbraw/zinc/61/60/15/1094616015.db2.gz KLHLLEFPLZLZCN-IBGZPJMESA-N 1 0 321.424 3.217 20 10 DGCDRO CCC[C@](C)(CC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135859155 1094720588 /nfs/dbraw/zinc/72/05/88/1094720588.db2.gz LTLJLUUBZNRUIN-IBGZPJMESA-N 1 0 320.477 3.426 20 10 DGCDRO Oc1cccc(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)c1O ZINC001170908155 1094908799 /nfs/dbraw/zinc/90/87/99/1094908799.db2.gz MNSTWHVAZUSHTK-ZDUSSCGKSA-N 1 0 303.789 3.398 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(O)c1 ZINC001276805967 1094988890 /nfs/dbraw/zinc/98/88/90/1094988890.db2.gz DRDYCHBPELBRSG-UHFFFAOYSA-N 1 0 318.461 3.017 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2c(Br)cnn2C)c1 ZINC000693431366 1094992009 /nfs/dbraw/zinc/99/20/09/1094992009.db2.gz MVHXDPQKQYCHOA-JTQLQIEISA-N 1 0 324.222 3.047 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000316305809 1095169613 /nfs/dbraw/zinc/16/96/13/1095169613.db2.gz ZXRIBOLIJITXGI-IPMKNSEASA-N 1 0 301.478 3.153 20 10 DGCDRO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(N)cc1 ZINC000319874446 1095417183 /nfs/dbraw/zinc/41/71/83/1095417183.db2.gz SXYMRUGGGHMQOY-UHFFFAOYSA-N 1 0 311.429 3.428 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)cc1 ZINC001338889952 1095425628 /nfs/dbraw/zinc/42/56/28/1095425628.db2.gz YKYOIVNPXBLVJN-OALUTQOASA-N 1 0 303.494 3.495 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)cc1 ZINC001338889951 1095426108 /nfs/dbraw/zinc/42/61/08/1095426108.db2.gz YKYOIVNPXBLVJN-MOPGFXCFSA-N 1 0 303.494 3.495 20 10 DGCDRO [O-]c1cccc(F)c1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161584 1095466828 /nfs/dbraw/zinc/46/68/28/1095466828.db2.gz PULRAIPWFVZVHY-GOSISDBHSA-N 1 0 306.425 3.277 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@@]3(CC[NH2+]3)C2)c2ccccc21 ZINC001222282921 1095529640 /nfs/dbraw/zinc/52/96/40/1095529640.db2.gz QVBBWLVPBGCDKV-HXUWFJFHSA-N 1 0 309.457 3.234 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222345067 1095564918 /nfs/dbraw/zinc/56/49/18/1095564918.db2.gz HUSHRUXGBJLJNK-LJQANCHMSA-N 1 0 301.478 3.251 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c(O)c1C ZINC001339285723 1095573390 /nfs/dbraw/zinc/57/33/90/1095573390.db2.gz BQMWJTCVDODKMX-DOTOQJQBSA-N 1 0 321.461 3.085 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385874 1095584549 /nfs/dbraw/zinc/58/45/49/1095584549.db2.gz YWSCJUQXVNWIQV-HXUWFJFHSA-N 1 0 313.489 3.395 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420524 1095605656 /nfs/dbraw/zinc/60/56/56/1095605656.db2.gz DRGBIZKKKRZSNJ-IBGZPJMESA-N 1 0 301.478 3.251 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222436077 1095612927 /nfs/dbraw/zinc/61/29/27/1095612927.db2.gz UMZVTZLSSBAXJS-HNNXBMFYSA-N 1 0 315.244 3.417 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC001339414840 1095617027 /nfs/dbraw/zinc/61/70/27/1095617027.db2.gz QSPXEAZOCUJPEB-SFHVURJKSA-N 1 0 316.470 3.346 20 10 DGCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116719510 1095642510 /nfs/dbraw/zinc/64/25/10/1095642510.db2.gz HWYDGLSPXFCNAJ-MDZRGWNJSA-N 1 0 302.462 3.268 20 10 DGCDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001339509752 1095643496 /nfs/dbraw/zinc/64/34/96/1095643496.db2.gz MSSAJYJAAOAFCR-HZPDHXFCSA-N 1 0 321.484 3.492 20 10 DGCDRO CCc1cc(NCc2cc(Br)ccc2O)cc[nH+]1 ZINC001171176415 1095649711 /nfs/dbraw/zinc/64/97/11/1095649711.db2.gz NSIZDMDBJXPLQW-UHFFFAOYSA-N 1 0 307.191 3.146 20 10 DGCDRO Cc1cc(CN2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)ccc1N(C)C ZINC001222563288 1095668789 /nfs/dbraw/zinc/66/87/89/1095668789.db2.gz LRDFSIHIHAPJPZ-FPOVZHCZSA-N 1 0 321.468 3.132 20 10 DGCDRO CCN(C)c1ccc(CN2CCOC[C@@H]2c2cccn2C)cc1 ZINC001116821361 1095670674 /nfs/dbraw/zinc/67/06/74/1095670674.db2.gz OWULXCXQPWRZMK-LJQANCHMSA-N 1 0 313.445 3.055 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001144508836 1095697888 /nfs/dbraw/zinc/69/78/88/1095697888.db2.gz AARSSUOOCCYULK-OAHLLOKOSA-N 1 0 313.397 3.258 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCSC[C@H]2c2ccccc2)c(O)c1 ZINC001144514486 1095700816 /nfs/dbraw/zinc/70/08/16/1095700816.db2.gz HPHAPFHDWWGPRY-HNNXBMFYSA-N 1 0 317.410 3.094 20 10 DGCDRO Cc1cc(N(C)C)nc(NCc2ccc(N3CCCC3)cc2)[nH+]1 ZINC001116933511 1095704950 /nfs/dbraw/zinc/70/49/50/1095704950.db2.gz KKGBLQBNEUXSQB-UHFFFAOYSA-N 1 0 311.433 3.063 20 10 DGCDRO COC(=O)[C@H]1CCCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001137854139 1095766467 /nfs/dbraw/zinc/76/64/67/1095766467.db2.gz JTFCNPQSJCQNFO-GOSISDBHSA-N 1 0 312.413 3.232 20 10 DGCDRO Cc1cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137859111 1095769143 /nfs/dbraw/zinc/76/91/43/1095769143.db2.gz IXTOKRXZBGJKQT-FXAWDEMLSA-N 1 0 309.457 3.230 20 10 DGCDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C[C@@H]2O1 ZINC001339895291 1095770969 /nfs/dbraw/zinc/77/09/69/1095770969.db2.gz JITNWARWWSZYHG-XGWQRUHWSA-N 1 0 316.445 3.059 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC001117671848 1095795701 /nfs/dbraw/zinc/79/57/01/1095795701.db2.gz RBEAXLQTMORERM-BBRMVZONSA-N 1 0 324.424 3.067 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC001117697500 1095805356 /nfs/dbraw/zinc/80/53/56/1095805356.db2.gz OBGHIUMUVFBJOS-UHFFFAOYSA-N 1 0 311.381 3.154 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCOC1CCOCC1 ZINC001340134614 1095877768 /nfs/dbraw/zinc/87/77/68/1095877768.db2.gz WWSAYRJYFZXSAD-UKRRQHHQSA-N 1 0 305.418 3.034 20 10 DGCDRO Cc1cc(F)ccc1N1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138129477 1095898015 /nfs/dbraw/zinc/89/80/15/1095898015.db2.gz FXZWEBXOZLGCDY-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO Cc1ncc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)s1 ZINC001118801076 1096078384 /nfs/dbraw/zinc/07/83/84/1096078384.db2.gz LWSJAGRDEBEPLP-UHFFFAOYSA-N 1 0 311.401 3.128 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC001119606941 1096231640 /nfs/dbraw/zinc/23/16/40/1096231640.db2.gz UXOKISUAXULVOH-SPYBWZPUSA-N 1 0 319.445 3.423 20 10 DGCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c(OC)c1 ZINC001276995369 1096281181 /nfs/dbraw/zinc/28/11/81/1096281181.db2.gz ZRNRSOVXGMYFEK-IYBDPMFKSA-N 1 0 316.445 3.299 20 10 DGCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc[nH]2)cc1F ZINC001277008824 1096313322 /nfs/dbraw/zinc/31/33/22/1096313322.db2.gz AVLCBGPKJHSVLU-IYBDPMFKSA-N 1 0 315.392 3.016 20 10 DGCDRO O=c1cc2[nH]c([NH2+]Cc3cc4ccccc4cc3O)ccc-2[nH]1 ZINC001171404351 1096674829 /nfs/dbraw/zinc/67/48/29/1096674829.db2.gz AVNTXHLUTPRRPE-UHFFFAOYSA-N 1 0 305.337 3.047 20 10 DGCDRO Oc1cccc(C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)c1O ZINC001171463224 1096892266 /nfs/dbraw/zinc/89/22/66/1096892266.db2.gz OSJBHZRPOCCBJP-ZDUSSCGKSA-N 1 0 305.324 3.023 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001172600639 1097191302 /nfs/dbraw/zinc/19/13/02/1097191302.db2.gz FPCJWHSPWLTUGF-NUEKZKHPSA-N 1 0 304.434 3.135 20 10 DGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001172925018 1097282337 /nfs/dbraw/zinc/28/23/37/1097282337.db2.gz BYTNIYNCGDBBGM-QWHCGFSZSA-N 1 0 314.223 3.202 20 10 DGCDRO CC[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC001173285489 1097414001 /nfs/dbraw/zinc/41/40/01/1097414001.db2.gz WPOGJEXLGLFOHV-CVEARBPZSA-N 1 0 318.461 3.405 20 10 DGCDRO COC(=O)CCCC[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001173437878 1097438563 /nfs/dbraw/zinc/43/85/63/1097438563.db2.gz SQJHVESDLJOPRZ-INIZCTEOSA-N 1 0 318.461 3.498 20 10 DGCDRO CCOC(=O)C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001173662082 1097485629 /nfs/dbraw/zinc/48/56/29/1097485629.db2.gz VAYVPJRNHOMKHK-WMZOPIPTSA-N 1 0 318.461 3.306 20 10 DGCDRO Cc1c[nH+]ccc1Nc1ccc(-c2ccc(N)c(O)c2)cc1O ZINC001174538261 1097748630 /nfs/dbraw/zinc/74/86/30/1097748630.db2.gz CHGCVUGNCKMGFD-UHFFFAOYSA-N 1 0 307.353 3.216 20 10 DGCDRO CN1CC[N@H+](Cc2c(O)ccc3ccccc32)Cc2cccnc21 ZINC001231588734 1097785253 /nfs/dbraw/zinc/78/52/53/1097785253.db2.gz PIRMUPKZVFIUGU-UHFFFAOYSA-N 1 0 319.408 3.392 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)[C@@H]1C ZINC001231589933 1097785498 /nfs/dbraw/zinc/78/54/98/1097785498.db2.gz VLNVKRNQAUGCRS-UKRRQHHQSA-N 1 0 313.397 3.319 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)[C@H]1C ZINC001231590347 1097785549 /nfs/dbraw/zinc/78/55/49/1097785549.db2.gz VLNVKRNQAUGCRS-DZGCQCFKSA-N 1 0 313.397 3.319 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1O ZINC001231594655 1097787963 /nfs/dbraw/zinc/78/79/63/1097787963.db2.gz MPGZPYJLLLQJGP-AZUAARDMSA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC001231594918 1097788380 /nfs/dbraw/zinc/78/83/80/1097788380.db2.gz NENVNMBEBDHVCU-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1cccc(C[N@H+]2CCC[C@H](Oc3ncccc3C)C2)c1O ZINC001231595177 1097788515 /nfs/dbraw/zinc/78/85/15/1097788515.db2.gz PQUSFDBSPOGVMI-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO COc1cc(C[N@H+](C)CCCc2ccccc2)c(O)cc1O ZINC001231635990 1097796605 /nfs/dbraw/zinc/79/66/05/1097796605.db2.gz IUHRBKCHZBCRPG-UHFFFAOYSA-N 1 0 301.386 3.171 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(O)cc1O ZINC001231636302 1097797255 /nfs/dbraw/zinc/79/72/55/1097797255.db2.gz SBKIMNDRBXFGBF-LBPRGKRZSA-N 1 0 317.360 3.235 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001231674070 1097813547 /nfs/dbraw/zinc/81/35/47/1097813547.db2.gz WMUMWLHXBJZBFC-UHFFFAOYSA-N 1 0 311.429 3.328 20 10 DGCDRO Cc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001231842491 1097859978 /nfs/dbraw/zinc/85/99/78/1097859978.db2.gz NJUBUHTXTISCIT-DOMZBBRYSA-N 1 0 317.351 3.144 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001231847558 1097861550 /nfs/dbraw/zinc/86/15/50/1097861550.db2.gz BNFFNQMXOWLTLP-INIZCTEOSA-N 1 0 312.413 3.366 20 10 DGCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231847803 1097861735 /nfs/dbraw/zinc/86/17/35/1097861735.db2.gz DYEQBXVHLXKQFZ-HNNXBMFYSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c(O)c1 ZINC001231845626 1097862219 /nfs/dbraw/zinc/86/22/19/1097862219.db2.gz DORIEVMTRUUYMI-UHFFFAOYSA-N 1 0 315.335 3.352 20 10 DGCDRO Cc1cc(O)c(CN2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC001231869146 1097869201 /nfs/dbraw/zinc/86/92/01/1097869201.db2.gz JTVQDVCFLILNKE-UHFFFAOYSA-N 1 0 308.853 3.414 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)cc1Cl ZINC001231871051 1097871743 /nfs/dbraw/zinc/87/17/43/1097871743.db2.gz XGXKUMVEXHRADM-UHFFFAOYSA-N 1 0 324.852 3.078 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)cc1Cl ZINC001231871456 1097872386 /nfs/dbraw/zinc/87/23/86/1097872386.db2.gz KYQLNVDAGVNZNR-ZDUSSCGKSA-N 1 0 311.809 3.081 20 10 DGCDRO Oc1c(CN2CC3(C2)CC[N@H+](CC2CC2)C3)ccc2ccccc21 ZINC001231879045 1097876956 /nfs/dbraw/zinc/87/69/56/1097876956.db2.gz TWODSFSJPODUMC-UHFFFAOYSA-N 1 0 322.452 3.463 20 10 DGCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231880934 1097877948 /nfs/dbraw/zinc/87/79/48/1097877948.db2.gz OJJMDILLMQXBSS-XJKSGUPXSA-N 1 0 313.397 3.176 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001231883726 1097878522 /nfs/dbraw/zinc/87/85/22/1097878522.db2.gz NTKPUOAYEYKUDH-HNNXBMFYSA-N 1 0 313.397 3.321 20 10 DGCDRO CCC(=O)NC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231883095 1097878998 /nfs/dbraw/zinc/87/89/98/1097878998.db2.gz XYGDZFKPYQJLJC-UHFFFAOYSA-N 1 0 312.413 3.036 20 10 DGCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc4ccccc4c3O)C2)O1 ZINC001231882035 1097879018 /nfs/dbraw/zinc/87/90/18/1097879018.db2.gz DYEVDCDMSOPAGK-IBGZPJMESA-N 1 0 311.381 3.217 20 10 DGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1)C1CC1 ZINC001231883593 1097879878 /nfs/dbraw/zinc/87/98/78/1097879878.db2.gz REBIXOZCJOODLU-QGZVFWFLSA-N 1 0 324.424 3.036 20 10 DGCDRO FC1CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232198487 1097963510 /nfs/dbraw/zinc/96/35/10/1097963510.db2.gz UOXMJVWGCAYTIY-UHFFFAOYSA-N 1 0 312.816 3.111 20 10 DGCDRO CC1CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232198341 1097963578 /nfs/dbraw/zinc/96/35/78/1097963578.db2.gz QVUBAKGOVHJYHC-UHFFFAOYSA-N 1 0 308.853 3.409 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)CC1CCC1 ZINC001232203569 1097964055 /nfs/dbraw/zinc/96/40/55/1097964055.db2.gz YMRCDGUVZJPERM-UHFFFAOYSA-N 1 0 308.853 3.409 20 10 DGCDRO Oc1cc(O)c(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1Cl ZINC001232257545 1097982714 /nfs/dbraw/zinc/98/27/14/1097982714.db2.gz HDQMWSFHFANHLO-AOOOYVTPSA-N 1 0 303.736 3.228 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1Cl ZINC001232261051 1097984841 /nfs/dbraw/zinc/98/48/41/1097984841.db2.gz AQNFIDFWBAXBDN-GFCCVEGCSA-N 1 0 304.777 3.136 20 10 DGCDRO CC1([NH+]2CCCC2)CCN(Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232263172 1097985591 /nfs/dbraw/zinc/98/55/91/1097985591.db2.gz JCNPDNJKKAWPHK-UHFFFAOYSA-N 1 0 324.852 3.202 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1Cl ZINC001232267018 1097986276 /nfs/dbraw/zinc/98/62/76/1097986276.db2.gz UZDJFMFBGLUCGX-XHDPSFHLSA-N 1 0 311.809 3.055 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(Cl)c(O)cc2O)cc1 ZINC001232264330 1097987416 /nfs/dbraw/zinc/98/74/16/1097987416.db2.gz ZZUJDRWCTNRVCJ-UHFFFAOYSA-N 1 0 320.820 3.449 20 10 DGCDRO C[N@H+](CCC(=O)c1ccccc1)Cc1cc(Cl)c(O)cc1O ZINC001232268733 1097988486 /nfs/dbraw/zinc/98/84/86/1097988486.db2.gz QONVZGVJIFBEIK-UHFFFAOYSA-N 1 0 319.788 3.456 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)cc1Cl ZINC001232268336 1097989029 /nfs/dbraw/zinc/98/90/29/1097989029.db2.gz OMKFBKNJLIZDPV-CQSZACIVSA-N 1 0 318.804 3.353 20 10 DGCDRO Cc1nc(N)ccc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001232344163 1098009383 /nfs/dbraw/zinc/00/93/83/1098009383.db2.gz LDUWPXZNWIRYHM-UHFFFAOYSA-N 1 0 310.445 3.204 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](C)C2)c2ccccc2n1C ZINC001232400952 1098028257 /nfs/dbraw/zinc/02/82/57/1098028257.db2.gz BXQNBNLAXXZSMC-ZDUSSCGKSA-N 1 0 300.402 3.197 20 10 DGCDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1F ZINC001175419849 1098040555 /nfs/dbraw/zinc/04/05/55/1098040555.db2.gz YQSNTZYUAVZTMV-LLVKDONJSA-N 1 0 303.333 3.169 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cncc3cnccc32)cc1 ZINC001232653512 1098107071 /nfs/dbraw/zinc/10/70/71/1098107071.db2.gz 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Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001233454821 1098339617 /nfs/dbraw/zinc/33/96/17/1098339617.db2.gz LFFLMUGPHUGXBB-HNNXBMFYSA-N 1 0 315.335 3.414 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001233454021 1098339746 /nfs/dbraw/zinc/33/97/46/1098339746.db2.gz CVPHFAWVDPZDNX-AWEZNQCLSA-N 1 0 314.351 3.081 20 10 DGCDRO C[N@H+](CCc1ccncc1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454559 1098340865 /nfs/dbraw/zinc/34/08/65/1098340865.db2.gz ZGNZGFORDJKOPE-UHFFFAOYSA-N 1 0 310.319 3.481 20 10 DGCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454627 1098340896 /nfs/dbraw/zinc/34/08/96/1098340896.db2.gz COVYMNJIEHCQNX-LLVKDONJSA-N 1 0 301.308 3.212 20 10 DGCDRO CC(C)(C)[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454504 1098341071 /nfs/dbraw/zinc/34/10/71/1098341071.db2.gz WXHGDHFFPQXOHO-UHFFFAOYSA-N 1 0 316.367 3.327 20 10 DGCDRO Oc1cc(O)c(CN2CCC[C@@H]2c2cc(F)ccc2F)cc1O ZINC001233485004 1098345845 /nfs/dbraw/zinc/34/58/45/1098345845.db2.gz FONVQWCSHGKRGI-CQSZACIVSA-N 1 0 321.323 3.419 20 10 DGCDRO CCN1CCc2cc(O[C@@H]3[C@@H]4CCC[C@H]3C[N@@H+](C)C4)ccc21 ZINC001233601120 1098386622 /nfs/dbraw/zinc/38/66/22/1098386622.db2.gz HILOXQLGLAAGHD-HGKCTWBKSA-N 1 0 300.446 3.178 20 10 DGCDRO C[C@]1(O)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233727318 1098416851 /nfs/dbraw/zinc/41/68/51/1098416851.db2.gz MHQORIVSMMDZPK-AWEZNQCLSA-N 1 0 319.323 3.028 20 10 DGCDRO Oc1c(C[NH+]2CCC(CF)CC2)cccc1OC(F)(F)F ZINC001233760100 1098424166 /nfs/dbraw/zinc/42/41/66/1098424166.db2.gz BVABUMUGKLZHBK-UHFFFAOYSA-N 1 0 307.287 3.472 20 10 DGCDRO CC(C)O[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768149 1098427587 /nfs/dbraw/zinc/42/75/87/1098427587.db2.gz KZHLSQBGYGIHHB-LBPRGKRZSA-N 1 0 319.323 3.290 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2F)CC1 ZINC001177542013 1098553067 /nfs/dbraw/zinc/55/30/67/1098553067.db2.gz JDBZGOCRFPWRAN-MRXNPFEDSA-N 1 0 317.452 3.023 20 10 DGCDRO CC(=O)c1cc(O)c(O)cc1OC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001234476076 1098564178 /nfs/dbraw/zinc/56/41/78/1098564178.db2.gz KLSCRBNWRWUYJE-UHFFFAOYSA-N 1 0 321.417 3.331 20 10 DGCDRO CC[NH+]1CCN(c2ccc(OC(C3CC3)C3CC3)cc2)CC1 ZINC001234657937 1098634759 /nfs/dbraw/zinc/63/47/59/1098634759.db2.gz NDXHFSCJQKMYDA-UHFFFAOYSA-N 1 0 300.446 3.396 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CCOC(C)(C)C3)cc2)CC1 ZINC001234661562 1098635994 /nfs/dbraw/zinc/63/59/94/1098635994.db2.gz UXNUISREWUHDDO-GOSISDBHSA-N 1 0 318.461 3.165 20 10 DGCDRO Cc1cccn2c(C[NH2+]CCCSc3nccs3)cnc12 ZINC001177903277 1098643673 /nfs/dbraw/zinc/64/36/73/1098643673.db2.gz AMFZCLPKVNIZNC-UHFFFAOYSA-N 1 0 318.471 3.371 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Cl ZINC001206317767 1098731573 /nfs/dbraw/zinc/73/15/73/1098731573.db2.gz IIMLBRDIJONGSV-INIZCTEOSA-N 1 0 312.841 3.005 20 10 DGCDRO COC(=O)CC1C[NH+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996644 1098738709 /nfs/dbraw/zinc/73/87/09/1098738709.db2.gz LIJJKEVGSHILAE-UHFFFAOYSA-N 1 0 311.381 3.054 20 10 DGCDRO C[N@H+](Cc1ccncn1)Cc1cccc(-c2ccccc2)c1O ZINC001234999989 1098742210 /nfs/dbraw/zinc/74/22/10/1098742210.db2.gz NWUGGLHUFHGQGZ-UHFFFAOYSA-N 1 0 305.381 3.481 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](O)Cc1ccccc1 ZINC001178249766 1098754247 /nfs/dbraw/zinc/75/42/47/1098754247.db2.gz USCWNQYTZZBDBW-HNAYVOBHSA-N 1 0 311.425 3.093 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@]3(CC[NH2+]3)C2)cc1Cl ZINC001235068522 1098782791 /nfs/dbraw/zinc/78/27/91/1098782791.db2.gz ICHAAFDKFQGEAC-QGZVFWFLSA-N 1 0 308.853 3.281 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CCCCC23C[NH2+]C3)cc1 ZINC001235103821 1098803303 /nfs/dbraw/zinc/80/33/03/1098803303.db2.gz PVTJRDJJUGWWOO-UHFFFAOYSA-N 1 0 309.457 3.422 20 10 DGCDRO Cc1cc(O)c(CN2CCCC[C@]23CCC[NH2+]C3)cc1Cl ZINC001235178838 1098861926 /nfs/dbraw/zinc/86/19/26/1098861926.db2.gz PBSZBJFVYVAQEP-QGZVFWFLSA-N 1 0 308.853 3.462 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CO)CC2CCCC2)cc1 ZINC001178571825 1098876956 /nfs/dbraw/zinc/87/69/56/1098876956.db2.gz ZFWNODOFPFQOHO-KRZKXXONSA-N 1 0 302.462 3.297 20 10 DGCDRO CN(Cc1cc(-c2ccc(F)cc2)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC001235347168 1098971217 /nfs/dbraw/zinc/97/12/17/1098971217.db2.gz NICRMKKZCOWSPK-GOSISDBHSA-N 1 0 314.404 3.382 20 10 DGCDRO CN(C1CC1)[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681436 1099124435 /nfs/dbraw/zinc/12/44/35/1099124435.db2.gz LZKPDRRCWFIKEW-KRWDZBQOSA-N 1 0 302.462 3.358 20 10 DGCDRO CC(C)(C)c1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC001235681129 1099124831 /nfs/dbraw/zinc/12/48/31/1099124831.db2.gz YPJXMGHMDDTOBZ-KRWDZBQOSA-N 1 0 302.462 3.360 20 10 DGCDRO C[N@H+](CCC1CC[NH2+]CC1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001235717070 1099144514 /nfs/dbraw/zinc/14/45/14/1099144514.db2.gz CIHPIWBUVWIZOV-UHFFFAOYSA-N 1 0 316.367 3.233 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2F)cc1 ZINC001235741299 1099157139 /nfs/dbraw/zinc/15/71/39/1099157139.db2.gz DNIAIMCWFMPKTJ-LJQANCHMSA-N 1 0 313.420 3.038 20 10 DGCDRO CC1(C)C[NH2+]CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001235827003 1099197070 /nfs/dbraw/zinc/19/70/70/1099197070.db2.gz GIFWNDBBHTZQMC-UHFFFAOYSA-N 1 0 314.404 3.382 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCNC[C@@H]2Cc2ccccc2)c(O)c1 ZINC001235849057 1099208644 /nfs/dbraw/zinc/20/86/44/1099208644.db2.gz HHBDXCCEESJNBB-SFHVURJKSA-N 1 0 310.441 3.026 20 10 DGCDRO Cc1cc(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)ccc1N(C)C ZINC001235853160 1099213185 /nfs/dbraw/zinc/21/31/85/1099213185.db2.gz GLNRIWPGFCIFSM-FQEVSTJZSA-N 1 0 323.484 3.078 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235853882 1099214603 /nfs/dbraw/zinc/21/46/03/1099214603.db2.gz NRNPUBFSBSEMMB-MRXNPFEDSA-N 1 0 302.805 3.192 20 10 DGCDRO Cc1cc(CN2CC[C@H]([NH3+])C(F)(F)C2)c(C)n1-c1ccccc1 ZINC001235910748 1099252814 /nfs/dbraw/zinc/25/28/14/1099252814.db2.gz BJOCEXJBVZUPMI-KRWDZBQOSA-N 1 0 319.399 3.262 20 10 DGCDRO Cc1cc2c(cccc2-c2ccc(N3CC[NH+](C)CC3)nc2)n1C ZINC001235977313 1099305690 /nfs/dbraw/zinc/30/56/90/1099305690.db2.gz BCAGBOCJEZPSIP-UHFFFAOYSA-N 1 0 320.440 3.301 20 10 DGCDRO CCN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CCC[NH2+]C1 ZINC001236007434 1099328380 /nfs/dbraw/zinc/32/83/80/1099328380.db2.gz BWYDUPCIWDHSIS-HNNXBMFYSA-N 1 0 316.445 3.150 20 10 DGCDRO C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001236066180 1099367008 /nfs/dbraw/zinc/36/70/08/1099367008.db2.gz GFSCICBNEJXKAW-LBPRGKRZSA-N 1 0 310.869 3.384 20 10 DGCDRO Oc1c(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)cccc1-c1ccccc1 ZINC001236093081 1099380503 /nfs/dbraw/zinc/38/05/03/1099380503.db2.gz NVEUWTCWNADWPQ-HDICACEKSA-N 1 0 308.425 3.386 20 10 DGCDRO C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214082 1099470266 /nfs/dbraw/zinc/47/02/66/1099470266.db2.gz DXIFZAYVWGMKOW-QWHCGFSZSA-N 1 0 302.340 3.113 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC001236216492 1099472051 /nfs/dbraw/zinc/47/20/51/1099472051.db2.gz OLOWLNKVQXPDSI-SFHVURJKSA-N 1 0 301.478 3.249 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217155 1099474505 /nfs/dbraw/zinc/47/45/05/1099474505.db2.gz NCRZCIZUABCFRG-RTBURBONSA-N 1 0 301.478 3.379 20 10 DGCDRO CN(Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219711 1099477682 /nfs/dbraw/zinc/47/76/82/1099477682.db2.gz XMXDJTIPSNXEIQ-RTBURBONSA-N 1 0 313.489 3.087 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236223237 1099482127 /nfs/dbraw/zinc/48/21/27/1099482127.db2.gz PEDDZOPBOLTXHB-AWEZNQCLSA-N 1 0 314.351 3.127 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236238948 1099491786 /nfs/dbraw/zinc/49/17/86/1099491786.db2.gz FLFKSCWSLCJZCN-AWEZNQCLSA-N 1 0 314.351 3.127 20 10 DGCDRO Oc1ccc(F)cc1CN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236299676 1099521465 /nfs/dbraw/zinc/52/14/65/1099521465.db2.gz ITIXGVKOLCQGFK-UHFFFAOYSA-N 1 0 314.404 3.286 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314483 1099529440 /nfs/dbraw/zinc/52/94/40/1099529440.db2.gz OKVWRKDVETXPCZ-PHIMTYICSA-N 1 0 315.244 3.130 20 10 DGCDRO Nc1ccc(CN(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)cc1 ZINC001236359436 1099551479 /nfs/dbraw/zinc/55/14/79/1099551479.db2.gz ZZCMXARBIMVWEK-SFHVURJKSA-N 1 0 313.420 3.162 20 10 DGCDRO [O-]c1c(F)cccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372735 1099557502 /nfs/dbraw/zinc/55/75/02/1099557502.db2.gz DGOLJMRYLVFNHN-AWEZNQCLSA-N 1 0 306.425 3.276 20 10 DGCDRO CC(C)(C)C[N@H+](Cc1c(F)ccc(F)c1[O-])C1CC[NH2+]CC1 ZINC001236458747 1099622378 /nfs/dbraw/zinc/62/23/78/1099622378.db2.gz XOARHJOOXHVQDU-UHFFFAOYSA-N 1 0 312.404 3.271 20 10 DGCDRO CC(C)CN(Cc1cc(F)c(Cl)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236478406 1099636631 /nfs/dbraw/zinc/63/66/31/1099636631.db2.gz HOFHZGQQRRDWER-CYBMUJFWSA-N 1 0 314.832 3.395 20 10 DGCDRO [NH3+]CCN(Cc1ccccc1)Cc1cc(F)c(Cl)cc1O ZINC001236527548 1099661721 /nfs/dbraw/zinc/66/17/21/1099661721.db2.gz OPNZADLTDCZYSM-UHFFFAOYSA-N 1 0 308.784 3.146 20 10 DGCDRO CN(C)c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC001236529336 1099665255 /nfs/dbraw/zinc/66/52/55/1099665255.db2.gz 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CCCO[C@@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237110781 1099975472 /nfs/dbraw/zinc/97/54/72/1099975472.db2.gz KUPIYBQSRMJBQZ-LLVKDONJSA-N 1 0 319.323 3.292 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CC(F)(F)C[C@H]2C[NH3+])cc1 ZINC001237108845 1099975701 /nfs/dbraw/zinc/97/57/01/1099975701.db2.gz UCZKGUKAAQXJKZ-KRWDZBQOSA-N 1 0 319.399 3.262 20 10 DGCDRO [NH3+]C[C@H]1CCC(F)(F)CN1Cc1ccc(N2CCCCC2)cc1 ZINC001237131468 1099986958 /nfs/dbraw/zinc/98/69/58/1099986958.db2.gz HKRJHCHXKAITRA-QGZVFWFLSA-N 1 0 323.431 3.235 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@@H]1O ZINC001237138150 1099990819 /nfs/dbraw/zinc/99/08/19/1099990819.db2.gz UGJHXSUKRYAUTN-MFKMUULPSA-N 1 0 303.324 3.004 20 10 DGCDRO COc1cc(O)c(CN(C2CCC2)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001237155678 1100005380 /nfs/dbraw/zinc/00/53/80/1100005380.db2.gz KIYMXHCOUZTZMX-AWEZNQCLSA-N 1 0 324.852 3.161 20 10 DGCDRO CO[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@H]1C ZINC000691679498 1100025190 /nfs/dbraw/zinc/02/51/90/1100025190.db2.gz 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CCN(CC)c1ccc(C[N@H+](CC)CCCC(=O)OC)cc1 ZINC001203936204 1102154958 /nfs/dbraw/zinc/15/49/58/1102154958.db2.gz KELWRZWOUPOPJC-UHFFFAOYSA-N 1 0 306.450 3.308 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)ccc1OC ZINC001200972485 1102450819 /nfs/dbraw/zinc/45/08/19/1102450819.db2.gz YHMDZTSVUUBXOX-LMMKCTJWSA-N 1 0 319.445 3.279 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC001200972194 1102451213 /nfs/dbraw/zinc/45/12/13/1102451213.db2.gz WKPNPGMTHUORIB-QRVBRYPASA-N 1 0 300.446 3.334 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)c(OC)c1 ZINC001201427428 1102590583 /nfs/dbraw/zinc/59/05/83/1102590583.db2.gz MXKRIXFYRCEMGD-INIZCTEOSA-N 1 0 316.445 3.182 20 10 DGCDRO c1cc(C[NH2+]CCc2nc3c(s2)CCCC3)cc2c1OCC2 ZINC001201512676 1102621778 /nfs/dbraw/zinc/62/17/78/1102621778.db2.gz UGLHLDPUNOWDQJ-UHFFFAOYSA-N 1 0 314.454 3.289 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CC(C)C)cc1Cn1cccn1 ZINC001201600693 1102669407 /nfs/dbraw/zinc/66/94/07/1102669407.db2.gz MLVOWNDMLMCJOE-OAHLLOKOSA-N 1 0 301.434 3.464 20 10 DGCDRO CCn1cnc(Cl)c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC001202065615 1102808626 /nfs/dbraw/zinc/80/86/26/1102808626.db2.gz AGRMTTNAZOEHNX-GFCCVEGCSA-N 1 0 306.841 3.473 20 10 DGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2c(O)cccc2Br)[C@H](C)O1 ZINC000686508365 1103049114 /nfs/dbraw/zinc/04/91/14/1103049114.db2.gz OPWAZFXGPXZZOC-OUAUKWLOSA-N 1 0 314.223 3.058 20 10 DGCDRO Cc1cc(C[N@@H+](C)Cc2cnn(C)c2)c(C)n1-c1ccccc1 ZINC001137854031 1103069504 /nfs/dbraw/zinc/06/95/04/1103069504.db2.gz FSORKKARUGHFQD-UHFFFAOYSA-N 1 0 308.429 3.460 20 10 DGCDRO COC1([C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001325792898 1103126176 /nfs/dbraw/zinc/12/61/76/1103126176.db2.gz HWWVGWDDEHAWFJ-KKUMJFAQSA-N 1 0 319.445 3.423 20 10 DGCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001326143908 1103216725 /nfs/dbraw/zinc/21/67/25/1103216725.db2.gz ALIDIFFWVJZJNS-FQEVSTJZSA-N 1 0 324.468 3.288 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC001326216901 1103237139 /nfs/dbraw/zinc/23/71/39/1103237139.db2.gz XPLAJGDCCICXBS-LPMFXHHGSA-N 1 0 319.445 3.016 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C ZINC001327681363 1103704641 /nfs/dbraw/zinc/70/46/41/1103704641.db2.gz YYCFWRKVEMDNKQ-HNNXBMFYSA-N 1 0 318.461 3.354 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2cc(Br)ccc2O)CC1(F)F ZINC000689211424 1103833792 /nfs/dbraw/zinc/83/37/92/1103833792.db2.gz CFSJPPVUMWSTKT-NSHDSACASA-N 1 0 306.150 3.290 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001328401218 1103933682 /nfs/dbraw/zinc/93/36/82/1103933682.db2.gz VAOCBGYWMKKLGY-PMACEKPBSA-N 1 0 313.489 3.393 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1F ZINC001328701051 1104025501 /nfs/dbraw/zinc/02/55/01/1104025501.db2.gz AIVPOYDQMPYZBW-GUYCJALGSA-N 1 0 310.388 3.078 20 10 DGCDRO CN(C)c1cc(F)c(CNC2CC([NH+]3CCCCC3)C2)cc1F ZINC001328703065 1104028393 /nfs/dbraw/zinc/02/83/93/1104028393.db2.gz MQJLMHWCDXPEFA-UHFFFAOYSA-N 1 0 323.431 3.137 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc(F)c1N1CCOCC1 ZINC001328759726 1104059068 /nfs/dbraw/zinc/05/90/68/1104059068.db2.gz YVMFOZSYZCRZJC-KEYYUXOJSA-N 1 0 322.399 3.080 20 10 DGCDRO COc1ccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)cc2c1 ZINC001245594153 1104142129 /nfs/dbraw/zinc/14/21/29/1104142129.db2.gz BGQUZSAHKOHFEH-UHFFFAOYSA-N 1 0 307.397 3.253 20 10 DGCDRO CC(C)O[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707132357 1104471617 /nfs/dbraw/zinc/47/16/17/1104471617.db2.gz NYPDZKJLQDIWDN-NSHDSACASA-N 1 0 314.223 3.154 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001330713004 1104628650 /nfs/dbraw/zinc/62/86/50/1104628650.db2.gz GOQPARSXOGCLJC-NEPJUHHUSA-N 1 0 300.406 3.280 20 10 DGCDRO C[N@@H+]1CCC[C@@]2(CCCN(Cc3c(O)cccc3Cl)C2)C1 ZINC001275217511 1104680838 /nfs/dbraw/zinc/68/08/38/1104680838.db2.gz RKYAVZNOBUILNL-QGZVFWFLSA-N 1 0 308.853 3.353 20 10 DGCDRO C[N@@H+]1CCC[C@]2(CCCN(Cc3ccc(Cl)cc3O)C2)C1 ZINC001275267827 1104698575 /nfs/dbraw/zinc/69/85/75/1104698575.db2.gz YFLJOHPIRDTVLY-KRWDZBQOSA-N 1 0 308.853 3.353 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN(C)C3)c2ccccc21 ZINC001275937649 1104962770 /nfs/dbraw/zinc/96/27/70/1104962770.db2.gz IYTKFTCIBYQJHQ-WBVHZDCISA-N 1 0 309.457 3.042 20 10 DGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)cc1Cl ZINC001248879528 1105185191 /nfs/dbraw/zinc/18/51/91/1105185191.db2.gz AVSPABVBCSHVBR-DZGCQCFKSA-N 1 0 315.816 3.248 20 10 DGCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(O)c1 ZINC001249208533 1105247923 /nfs/dbraw/zinc/24/79/23/1105247923.db2.gz UZLBHLGGPIHPRZ-NVXWUHKLSA-N 1 0 317.429 3.262 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[C@]1(C)O ZINC001249223856 1105249204 /nfs/dbraw/zinc/24/92/04/1105249204.db2.gz OYYSHJRPUCVHAM-YJYMSZOUSA-N 1 0 317.429 3.169 20 10 DGCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249224387 1105249348 /nfs/dbraw/zinc/24/93/48/1105249348.db2.gz YHQLYOURHXNJTC-KBPBESRZSA-N 1 0 317.429 3.169 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@@](C)(O)CC3)ccc2O1 ZINC001249223437 1105249744 /nfs/dbraw/zinc/24/97/44/1105249744.db2.gz GGJSPPUSECEJGM-LJQANCHMSA-N 1 0 317.429 3.313 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@@]1(C)O ZINC001249223218 1105249999 /nfs/dbraw/zinc/24/99/99/1105249999.db2.gz BMIQAUBUIRHMSL-BFUOFWGJSA-N 1 0 317.429 3.169 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CC4(C3)CCOCC4)ccc2O1 ZINC001249244870 1105256554 /nfs/dbraw/zinc/25/65/54/1105256554.db2.gz PFRLQMLLXLFFSY-UHFFFAOYSA-N 1 0 315.413 3.189 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@H](CCO)C3)ccc2O1 ZINC001249252832 1105257439 /nfs/dbraw/zinc/25/74/39/1105257439.db2.gz WSDIJDNPSQTXHC-CQSZACIVSA-N 1 0 317.429 3.171 20 10 DGCDRO [NH3+][C@H](Cc1nc(-c2ccc3occc3c2)no1)c1ccccc1O ZINC001249339085 1105270508 /nfs/dbraw/zinc/27/05/08/1105270508.db2.gz HXZLJCSIXVLIMY-CQSZACIVSA-N 1 0 321.336 3.431 20 10 DGCDRO CCOC(=O)CCCOc1ccc(C[N@H+](CC)C2CC2)c(O)c1 ZINC001249724850 1105366928 /nfs/dbraw/zinc/36/69/28/1105366928.db2.gz LIPCATHAVVRFKT-UHFFFAOYSA-N 1 0 321.417 3.099 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3[nH]c(C)cc3C)CC2)c(C)c1 ZINC001137332201 1105488598 /nfs/dbraw/zinc/48/85/98/1105488598.db2.gz KOXLJNQTPMKGBV-UHFFFAOYSA-N 1 0 313.445 3.271 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC001252850497 1105841643 /nfs/dbraw/zinc/84/16/43/1105841643.db2.gz XOLSSEZOLPDYCM-GOSISDBHSA-N 1 0 302.393 3.057 20 10 DGCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCc2ccccc21 ZINC001253279408 1105918826 /nfs/dbraw/zinc/91/88/26/1105918826.db2.gz FFVJAWHJFJCNQM-NRFANRHFSA-N 1 0 322.452 3.210 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC001254373331 1106062404 /nfs/dbraw/zinc/06/24/04/1106062404.db2.gz COHHNZZFKQTQEX-UHFFFAOYSA-N 1 0 321.808 3.088 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC2CCN(CC2)C1 ZINC001254869972 1106151709 /nfs/dbraw/zinc/15/17/09/1106151709.db2.gz ZERJZJDDMCSPJP-IBGZPJMESA-N 1 0 301.478 3.059 20 10 DGCDRO O=C1C[C@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3O)C[C@H]2C1 ZINC001254934893 1106157112 /nfs/dbraw/zinc/15/71/12/1106157112.db2.gz LUSWDMPPTUQTQP-PJXYFTJBSA-N 1 0 324.218 3.002 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254955180 1106159627 /nfs/dbraw/zinc/15/96/27/1106159627.db2.gz XOQMSPVTFYHMBX-IRXDYDNUSA-N 1 0 312.457 3.476 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC001255552130 1106269486 /nfs/dbraw/zinc/26/94/86/1106269486.db2.gz UFWOAJOCENBNMC-QGZVFWFLSA-N 1 0 318.461 3.165 20 10 DGCDRO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001255589909 1106275350 /nfs/dbraw/zinc/27/53/50/1106275350.db2.gz ANWOHGHQPMRJMB-CQSZACIVSA-N 1 0 320.433 3.108 20 10 DGCDRO C[C@H](CC(F)(F)F)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001255658034 1106287743 /nfs/dbraw/zinc/28/77/43/1106287743.db2.gz NMXPTFAYGPJMOF-CYBMUJFWSA-N 1 0 316.367 3.296 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H](C)Cc3ccco3)CC2)cc1 ZINC001258184494 1106690763 /nfs/dbraw/zinc/69/07/63/1106690763.db2.gz CRMVYCKFISRSJP-OAHLLOKOSA-N 1 0 300.402 3.041 20 10 DGCDRO CCOC(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001258475481 1106770143 /nfs/dbraw/zinc/77/01/43/1106770143.db2.gz GWVRGWOUQZOTFP-MRXNPFEDSA-N 1 0 318.461 3.498 20 10 DGCDRO CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258649296 1106879466 /nfs/dbraw/zinc/87/94/66/1106879466.db2.gz ZACUILPFZZCEME-LPHOPBHVSA-N 1 0 315.413 3.132 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC001320118879 1106884822 /nfs/dbraw/zinc/88/48/22/1106884822.db2.gz SXJRVIJUUBIIFR-GLJUWKHASA-N 1 0 320.502 3.276 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCC[C@@H](C)C2)c(O)c1C ZINC001320132237 1106890747 /nfs/dbraw/zinc/89/07/47/1106890747.db2.gz IYIXZYATUNYZMZ-CZUORRHYSA-N 1 0 318.461 3.308 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC001320180866 1106919154 /nfs/dbraw/zinc/91/91/54/1106919154.db2.gz FDVOCTVGLNOEJX-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCNc1ncccn1 ZINC001320411709 1106998659 /nfs/dbraw/zinc/99/86/59/1106998659.db2.gz RQBACTSIELEGHL-KGLIPLIRSA-N 1 0 312.417 3.131 20 10 DGCDRO CC(C)(CF)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001320627648 1107076805 /nfs/dbraw/zinc/07/68/05/1107076805.db2.gz FGGBMQHPJARQEK-UHFFFAOYSA-N 1 0 309.385 3.423 20 10 DGCDRO CCOC(CC[NH2+]Cc1ccc(N2CCCC2)cc1)OCC ZINC001320640762 1107085349 /nfs/dbraw/zinc/08/53/49/1107085349.db2.gz AZWKBGILIBTFRZ-UHFFFAOYSA-N 1 0 306.450 3.166 20 10 DGCDRO CCCN(Cc1ccc([S@](C)=O)cc1)c1ccc(C[NH3+])cc1 ZINC001321026211 1107225957 /nfs/dbraw/zinc/22/59/57/1107225957.db2.gz YALHBVAEQAMCBZ-QFIPXVFZSA-N 1 0 316.470 3.299 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)c(O)c1 ZINC001321505940 1107368576 /nfs/dbraw/zinc/36/85/76/1107368576.db2.gz AOXYGTZESMZZRX-UHFFFAOYSA-N 1 0 323.396 3.091 20 10 DGCDRO CCOC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(C)C ZINC001261814336 1107535089 /nfs/dbraw/zinc/53/50/89/1107535089.db2.gz YOSWHGAGUHAPDD-HNNXBMFYSA-N 1 0 300.393 3.182 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001262012423 1107574920 /nfs/dbraw/zinc/57/49/20/1107574920.db2.gz VXEVLWLUMDOKHX-DLBZAZTESA-N 1 0 302.487 3.472 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2(C)CCC2)cc1C ZINC001319225381 1108372731 /nfs/dbraw/zinc/37/27/31/1108372731.db2.gz OVBDQLOXKZKIKA-CQSZACIVSA-N 1 0 318.461 3.036 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCOc1ncccc1F ZINC001325357717 1108631184 /nfs/dbraw/zinc/63/11/84/1108631184.db2.gz WMHNUIKLDNEYDF-TZMCWYRMSA-N 1 0 316.376 3.452 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cc(Cl)ccc1O ZINC001325355578 1108631215 /nfs/dbraw/zinc/63/12/15/1108631215.db2.gz CWMBVLBAEFBAFV-CHWSQXEVSA-N 1 0 324.852 3.345 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC001319963782 1108718524 /nfs/dbraw/zinc/71/85/24/1108718524.db2.gz PHSZJQMHUWRMAZ-ZWKOTPCHSA-N 1 0 300.446 3.145 20 10 DGCDRO CC[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001280469368 1109208688 /nfs/dbraw/zinc/20/86/88/1109208688.db2.gz ZMHKUFLPTZJGSE-AWEZNQCLSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(C)C)C2)cc1C ZINC001316646215 1110185661 /nfs/dbraw/zinc/18/56/61/1110185661.db2.gz OXNFXFNZZGSMQF-DLBZAZTESA-N 1 0 318.461 3.034 20 10 DGCDRO CCC[N@H+](CCN1CCCC1)Cc1ccc(N(C)C)c(C)c1 ZINC001307757067 1111336364 /nfs/dbraw/zinc/33/63/64/1111336364.db2.gz ILDSUKBEUJGBCE-UHFFFAOYSA-N 1 0 303.494 3.369 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)ccc1N(C)C ZINC001307868604 1111348439 /nfs/dbraw/zinc/34/84/39/1111348439.db2.gz WQJKYDKGONMTQO-OAQYLSRUSA-N 1 0 324.468 3.327 20 10 DGCDRO CC(C)[C@H](CNCc1ccc2c(c1)CCCO2)[NH+]1CCCC1 ZINC001308193230 1111394332 /nfs/dbraw/zinc/39/43/32/1111394332.db2.gz CRLZMWYSURQNDP-SFHVURJKSA-N 1 0 302.462 3.222 20 10 DGCDRO CCCOc1ncccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308225692 1111400803 /nfs/dbraw/zinc/40/08/03/1111400803.db2.gz CBOKMZLLYSBMLL-UHFFFAOYSA-N 1 0 312.413 3.485 20 10 DGCDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308292088 1111412026 /nfs/dbraw/zinc/41/20/26/1111412026.db2.gz ICOFUGNKUBQTGD-QAPCUYQASA-N 1 0 308.441 3.433 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001308419457 1111427332 /nfs/dbraw/zinc/42/73/32/1111427332.db2.gz UUCOWFXNPQHNTP-GOSISDBHSA-N 1 0 303.446 3.290 20 10 DGCDRO CC(C)CC1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001308473040 1111432662 /nfs/dbraw/zinc/43/26/62/1111432662.db2.gz WOWGSQWPBCBJEK-UHFFFAOYSA-N 1 0 319.468 3.246 20 10 DGCDRO Fc1cc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)ccc1N1CCOCC1 ZINC001308522985 1111437743 /nfs/dbraw/zinc/43/77/43/1111437743.db2.gz GRNAAVOOFXVOGN-GVDBMIGSSA-N 1 0 318.436 3.188 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H]2CC=CCC2)N(C)C)cc1 ZINC001308543512 1111441036 /nfs/dbraw/zinc/44/10/36/1111441036.db2.gz IFPDGLMRDACFSV-APWZRJJASA-N 1 0 301.478 3.301 20 10 DGCDRO C[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001308566563 1111444700 /nfs/dbraw/zinc/44/47/00/1111444700.db2.gz ZZNQLSJGEYCOLB-CYBMUJFWSA-N 1 0 305.805 3.429 20 10 DGCDRO COC(=O)CCC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001308624479 1111452203 /nfs/dbraw/zinc/45/22/03/1111452203.db2.gz YUENNXYGNGRACT-UHFFFAOYSA-N 1 0 311.809 3.211 20 10 DGCDRO COc1cc(C)cc(CN(CCC[NH3+])c2cccc(F)c2)c1O ZINC001308634981 1111453447 /nfs/dbraw/zinc/45/34/47/1111453447.db2.gz LHNGPIWMLWNRBU-UHFFFAOYSA-N 1 0 318.392 3.204 20 10 DGCDRO CCCO[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001308634050 1111453673 /nfs/dbraw/zinc/45/36/73/1111453673.db2.gz NBCOPWOOXQXQSV-OAHLLOKOSA-N 1 0 307.434 3.490 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c(O)c1 ZINC001308758415 1111470917 /nfs/dbraw/zinc/47/09/17/1111470917.db2.gz SGYYLSANQTUSGM-CABCVRRESA-N 1 0 307.434 3.225 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)[C@](C)(O)c1ccccc1 ZINC001308845885 1111484070 /nfs/dbraw/zinc/48/40/70/1111484070.db2.gz MLZXVQYUJVLVGJ-PXAZEXFGSA-N 1 0 305.805 3.431 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1O)[C@](C)(O)c1ccccc1 ZINC001308845886 1111484140 /nfs/dbraw/zinc/48/41/40/1111484140.db2.gz MLZXVQYUJVLVGJ-SJCJKPOMSA-N 1 0 305.805 3.431 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCc4ccccc4C3)C2)cc1 ZINC001308859824 1111485317 /nfs/dbraw/zinc/48/53/17/1111485317.db2.gz NLQSLJBYWSEQDM-RTBURBONSA-N 1 0 322.452 3.421 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]Cc2noc3ccccc23)c1O ZINC001308934734 1111496525 /nfs/dbraw/zinc/49/65/25/1111496525.db2.gz KLARTLINJZQXOV-UHFFFAOYSA-N 1 0 318.760 3.485 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](CCOC)Cc2ccco2)c1 ZINC000092562594 185326082 /nfs/dbraw/zinc/32/60/82/185326082.db2.gz CYIHIXVFJUPDEK-UHFFFAOYSA-N 1 0 305.374 3.033 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185639326 529780504 /nfs/dbraw/zinc/78/05/04/529780504.db2.gz QUDSLLQAIAREKA-UHFFFAOYSA-N 1 0 310.441 3.236 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cc(O)cc(F)c3)ccc21 ZINC000185499683 530065814 /nfs/dbraw/zinc/06/58/14/530065814.db2.gz LJWCYIPHOVSFGX-UHFFFAOYSA-N 1 0 300.377 3.204 20 10 DGCDRO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3O)CC2)c1 ZINC000179556541 432062253 /nfs/dbraw/zinc/06/22/53/432062253.db2.gz SOXAXYFENRHSSC-UHFFFAOYSA-N 1 0 324.424 3.049 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cccc(C)c2O)c(OC)c1 ZINC000179568300 432062886 /nfs/dbraw/zinc/06/28/86/432062886.db2.gz SBQQHIBVZNJDDW-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191210252 299272791 /nfs/dbraw/zinc/27/27/91/299272791.db2.gz FPTDZOINWKXLDO-NSHDSACASA-N 1 0 310.388 3.195 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1C ZINC000189877322 432099652 /nfs/dbraw/zinc/09/96/52/432099652.db2.gz YRTRWTAWARQJBR-MRXNPFEDSA-N 1 0 317.458 3.033 20 10 DGCDRO CC[C@H]([NH2+]CC1(C)COC1)c1cc(Br)ccc1O ZINC000094721788 193393764 /nfs/dbraw/zinc/39/37/64/193393764.db2.gz QGJUOTRFUVSTBE-LBPRGKRZSA-N 1 0 314.223 3.232 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c(O)c1 ZINC000268867151 432146577 /nfs/dbraw/zinc/14/65/77/432146577.db2.gz UHERJHNHZCACBK-HNNXBMFYSA-N 1 0 301.390 3.071 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1O ZINC000060358324 184146435 /nfs/dbraw/zinc/14/64/35/184146435.db2.gz MAFSQGCTRBRJPD-OAHLLOKOSA-N 1 0 321.804 3.268 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)CC2 ZINC000296199993 285397612 /nfs/dbraw/zinc/39/76/12/285397612.db2.gz YWDVIJUBWJBULJ-HZPDHXFCSA-N 1 0 312.413 3.399 20 10 DGCDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000297401197 533622575 /nfs/dbraw/zinc/62/25/75/533622575.db2.gz SMNNYAPLLKLNTC-MNOVXSKESA-N 1 0 316.239 3.214 20 10 DGCDRO COCC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000272510600 130037607 /nfs/dbraw/zinc/03/76/07/130037607.db2.gz HPGJZCKORLSMBQ-HNNXBMFYSA-N 1 0 306.381 3.352 20 10 DGCDRO COCC[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1ccc(C)o1 ZINC000272551600 130039922 /nfs/dbraw/zinc/03/99/22/130039922.db2.gz DBMWKPRJRXDBJJ-OAHLLOKOSA-N 1 0 305.374 3.170 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccccc1O ZINC000272872663 130070924 /nfs/dbraw/zinc/07/09/24/130070924.db2.gz PALOAFCBKDSXPS-ZDUSSCGKSA-N 1 0 310.397 3.135 20 10 DGCDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273372591 130113157 /nfs/dbraw/zinc/11/31/57/130113157.db2.gz GKCZNCZUYVNANL-MNOVXSKESA-N 1 0 324.222 3.091 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c(O)c1C ZINC000273488134 130127896 /nfs/dbraw/zinc/12/78/96/130127896.db2.gz NRBHQSBHDFAASF-LSDHHAIUSA-N 1 0 305.418 3.345 20 10 DGCDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273546719 130135386 /nfs/dbraw/zinc/13/53/86/130135386.db2.gz ZNBIJEBFZBRNFC-GHMZBOCLSA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1cnn(C)c1 ZINC000273563776 130137110 /nfs/dbraw/zinc/13/71/10/130137110.db2.gz IUCJTWOJHGFIKU-NXEZZACHSA-N 1 0 324.222 3.300 20 10 DGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCOC2CCCC2)c1 ZINC000273585163 130140796 /nfs/dbraw/zinc/14/07/96/130140796.db2.gz NOXOVKIAMYYZNY-CYBMUJFWSA-N 1 0 321.417 3.179 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000273621458 130144939 /nfs/dbraw/zinc/14/49/39/130144939.db2.gz ZDWWRKJKRFTZKZ-ABAIWWIYSA-N 1 0 314.385 3.230 20 10 DGCDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273622719 130146451 /nfs/dbraw/zinc/14/64/51/130146451.db2.gz ZLXWWHWYYUSELM-QMTHXVAHSA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc(Cl)ccc1O ZINC000274349749 130228093 /nfs/dbraw/zinc/22/80/93/130228093.db2.gz GALBTPHUBUDPBS-JTQLQIEISA-N 1 0 323.849 3.241 20 10 DGCDRO CN(C)C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000282953205 130948210 /nfs/dbraw/zinc/94/82/10/130948210.db2.gz XXKYCRRVSWLQLA-MRXNPFEDSA-N 1 0 304.821 3.438 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)c(O)c1 ZINC000284167109 131054817 /nfs/dbraw/zinc/05/48/17/131054817.db2.gz QFQAAPXVHNOSSC-GFCCVEGCSA-N 1 0 304.356 3.154 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c(O)c1C ZINC000285843419 131204913 /nfs/dbraw/zinc/20/49/13/131204913.db2.gz YPGFTKMSHBASOD-DDUZABMNSA-N 1 0 318.461 3.353 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1F ZINC000287729732 131297765 /nfs/dbraw/zinc/29/77/65/131297765.db2.gz PBFYTKJCQPCQDW-RISCZKNCSA-N 1 0 320.330 3.091 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCCSC2)ccc1OC ZINC000288357192 131321663 /nfs/dbraw/zinc/32/16/63/131321663.db2.gz CQFKIGQEIPMRIU-HNNXBMFYSA-N 1 0 309.475 3.465 20 10 DGCDRO CCCN(Cc1cnc([C@@H](C)O)s1)c1ccc(C[NH3+])cc1 ZINC000289799728 131417580 /nfs/dbraw/zinc/41/75/80/131417580.db2.gz SGWIMTZCHFHONK-GFCCVEGCSA-N 1 0 305.447 3.072 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccccc2N(C)C)c1 ZINC000290151082 131458575 /nfs/dbraw/zinc/45/85/75/131458575.db2.gz LDEZGIZUOPTRTH-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000290617034 131504094 /nfs/dbraw/zinc/50/40/94/131504094.db2.gz XALJGZJMEUELAM-AWEZNQCLSA-N 1 0 301.390 3.078 20 10 DGCDRO CC(=O)c1cc(F)cc(CN(C)C2CC[NH+](C(C)C)CC2)c1O ZINC000079407027 400863846 /nfs/dbraw/zinc/86/38/46/400863846.db2.gz SAKKQXDBRCNOQM-UHFFFAOYSA-N 1 0 322.424 3.039 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000273621468 286339122 /nfs/dbraw/zinc/33/91/22/286339122.db2.gz ZDWWRKJKRFTZKZ-XHDPSFHLSA-N 1 0 314.385 3.230 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H]4C[C@H]4C3)cc2)CC1 ZINC000852634131 620636249 /nfs/dbraw/zinc/63/62/49/620636249.db2.gz KQBNJTHCRKNLIO-IRXDYDNUSA-N 1 0 300.446 3.144 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(NC(N)=O)cc1 ZINC000297581025 287071036 /nfs/dbraw/zinc/07/10/36/287071036.db2.gz HCXLWMASWJBAHC-ABAIWWIYSA-N 1 0 311.385 3.221 20 10 DGCDRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151033173 432212595 /nfs/dbraw/zinc/21/25/95/432212595.db2.gz GBHMJMCDIFIPHM-CHWSQXEVSA-N 1 0 312.454 3.064 20 10 DGCDRO CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(N(C)C)cc1 ZINC000151060695 432216421 /nfs/dbraw/zinc/21/64/21/432216421.db2.gz MXUHWWCMANMCBB-IBGZPJMESA-N 1 0 317.477 3.052 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc2O1 ZINC000295064298 228856822 /nfs/dbraw/zinc/85/68/22/228856822.db2.gz OQRPKICGLJYQHJ-BXUZGUMPSA-N 1 0 313.353 3.123 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc(N(C)C)s1 ZINC000355129884 229304527 /nfs/dbraw/zinc/30/45/27/229304527.db2.gz XJVXFBHTHAIGHS-UHFFFAOYSA-N 1 0 314.458 3.299 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000280748953 274516828 /nfs/dbraw/zinc/51/68/28/274516828.db2.gz COHXQKIXPNGEDD-WCQYABFASA-N 1 0 316.367 3.286 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1nccs1 ZINC000157073694 276002825 /nfs/dbraw/zinc/00/28/25/276002825.db2.gz PKQBNTTXSDQDNS-LBPRGKRZSA-N 1 0 319.430 3.088 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1O ZINC000289814566 276379765 /nfs/dbraw/zinc/37/97/65/276379765.db2.gz SZPQCVHWADAXMK-GDBMZVCRSA-N 1 0 307.434 3.306 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1O ZINC000374159690 276380438 /nfs/dbraw/zinc/38/04/38/276380438.db2.gz MFUINNOVCCRLKW-KBRIMQKVSA-N 1 0 305.418 3.084 20 10 DGCDRO COc1cccc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)c1 ZINC000296225468 278016418 /nfs/dbraw/zinc/01/64/18/278016418.db2.gz AHJOOFWKVUMHTQ-QAPCUYQASA-N 1 0 324.424 3.257 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc2ccccc2c1O ZINC000370399700 278386845 /nfs/dbraw/zinc/38/68/45/278386845.db2.gz VMOXWRMDJRQKEL-DOMZBBRYSA-N 1 0 307.397 3.477 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc2c(c1)CC(=O)N2C ZINC000297601043 278387272 /nfs/dbraw/zinc/38/72/72/278387272.db2.gz IANPEBMXABCSGF-WBMJQRKESA-N 1 0 322.408 3.249 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686642 278836282 /nfs/dbraw/zinc/83/62/82/278836282.db2.gz LDKLFHWNESRZHN-KBPBESRZSA-N 1 0 315.392 3.164 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1OC ZINC000113324709 431341433 /nfs/dbraw/zinc/34/14/33/431341433.db2.gz QTXSEKXNJFDKRQ-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO CC(C)CCOCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000119515033 431701827 /nfs/dbraw/zinc/70/18/27/431701827.db2.gz WXHDSOVQPJBNKY-KRWDZBQOSA-N 1 0 320.477 3.237 20 10 DGCDRO C[N@H+](CC[C@H]1CCOC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000120057779 431721533 /nfs/dbraw/zinc/72/15/33/431721533.db2.gz FFBVEBQFPULDAK-KRWDZBQOSA-N 1 0 316.445 3.062 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000092780975 431911824 /nfs/dbraw/zinc/91/18/24/431911824.db2.gz GLTSBGHMGQDNPD-IBGZPJMESA-N 1 0 300.446 3.288 20 10 DGCDRO CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000093644671 431915456 /nfs/dbraw/zinc/91/54/56/431915456.db2.gz MBCAUUZWXDFRJQ-GDBMZVCRSA-N 1 0 306.450 3.096 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000126059726 431941370 /nfs/dbraw/zinc/94/13/70/431941370.db2.gz SAOYEQVDTKLEGC-MSOLQXFVSA-N 1 0 311.429 3.020 20 10 DGCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000183222121 432270003 /nfs/dbraw/zinc/27/00/03/432270003.db2.gz VQZHPNOKMDCGED-OAHLLOKOSA-N 1 0 317.477 3.100 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000270676035 432275869 /nfs/dbraw/zinc/27/58/69/432275869.db2.gz RNSJCRSJBMWSEW-GDBMZVCRSA-N 1 0 307.434 3.474 20 10 DGCDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1cc(F)ccc1O)Cc1ccccc1 ZINC000191779960 432301289 /nfs/dbraw/zinc/30/12/89/432301289.db2.gz LODLQQOSYBKLOF-AUUYWEPGSA-N 1 0 317.404 3.251 20 10 DGCDRO CCC(CC)(C[NH2+][C@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000183877406 432332280 /nfs/dbraw/zinc/33/22/80/432332280.db2.gz GTDQMRFMDKCVCU-GFCCVEGCSA-N 1 0 309.406 3.031 20 10 DGCDRO CCC[N@H+](CC(=O)N1CCCC[C@H]1C)Cc1ccccc1O ZINC000174371778 432342367 /nfs/dbraw/zinc/34/23/67/432342367.db2.gz FWGHMBSKRVDIAR-OAHLLOKOSA-N 1 0 304.434 3.005 20 10 DGCDRO CC1(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)OCCO1 ZINC000271195718 432350949 /nfs/dbraw/zinc/35/09/49/432350949.db2.gz REPUDCVVEDPGNN-UHFFFAOYSA-N 1 0 311.809 3.021 20 10 DGCDRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183595271 432307100 /nfs/dbraw/zinc/30/71/00/432307100.db2.gz OYEZOQKHTNZFOH-CYBMUJFWSA-N 1 0 314.385 3.080 20 10 DGCDRO COc1cc(OC)cc(OCC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183618614 432309678 /nfs/dbraw/zinc/30/96/78/432309678.db2.gz UDHDQOBUOSEPKT-CYBMUJFWSA-N 1 0 317.385 3.139 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3C)cc2)CC1 ZINC000192557211 432386415 /nfs/dbraw/zinc/38/64/15/432386415.db2.gz DQCMPDYESOKVIK-QFBILLFUSA-N 1 0 302.462 3.438 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000271455825 432399130 /nfs/dbraw/zinc/39/91/30/432399130.db2.gz FKGWJOCHQOTHMD-YJBOKZPZSA-N 1 0 307.434 3.474 20 10 DGCDRO OCCC[N@H+](Cc1cccc(Cl)c1)Cc1ccccc1O ZINC000271472585 432401779 /nfs/dbraw/zinc/40/17/79/432401779.db2.gz ZMSIWQFIMDZIQQ-UHFFFAOYSA-N 1 0 305.805 3.430 20 10 DGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccccc1O ZINC000271268817 432364698 /nfs/dbraw/zinc/36/46/98/432364698.db2.gz LHNWBBMYECZYSD-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1O ZINC000192927382 432431204 /nfs/dbraw/zinc/43/12/04/432431204.db2.gz HVTZQUXOSHRFJN-AWEZNQCLSA-N 1 0 310.397 3.370 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)c1 ZINC000184916151 432446494 /nfs/dbraw/zinc/44/64/94/432446494.db2.gz SWKUQKUKYGGNPG-LBPRGKRZSA-N 1 0 314.385 3.210 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1 ZINC000184963796 432450707 /nfs/dbraw/zinc/45/07/07/432450707.db2.gz REOURBNRBCTVHV-KRWDZBQOSA-N 1 0 321.804 3.052 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000271585210 432420714 /nfs/dbraw/zinc/42/07/14/432420714.db2.gz XLBRLIFFENRVPS-ZIAGYGMSSA-N 1 0 304.356 3.107 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccccc1O ZINC000271689737 432422128 /nfs/dbraw/zinc/42/21/28/432422128.db2.gz KAPLHWMKPCLYFM-SJLPKXTDSA-N 1 0 301.386 3.175 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1O ZINC000271713677 432422640 /nfs/dbraw/zinc/42/26/40/432422640.db2.gz OTTVJHXODNGPFM-YOEHRIQHSA-N 1 0 319.376 3.012 20 10 DGCDRO CC1(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)OCCO1 ZINC000271753091 432425123 /nfs/dbraw/zinc/42/51/23/432425123.db2.gz WDVLHWXERVMAGF-UHFFFAOYSA-N 1 0 311.809 3.021 20 10 DGCDRO CCC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271881337 432427280 /nfs/dbraw/zinc/42/72/80/432427280.db2.gz VCMIBZOWTZOLPB-JQHSSLGASA-N 1 0 319.445 3.426 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1O ZINC000193504288 432477664 /nfs/dbraw/zinc/47/76/64/432477664.db2.gz BQVGLWQCVIKKPR-TZMCWYRMSA-N 1 0 316.367 3.317 20 10 DGCDRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000185313282 432489221 /nfs/dbraw/zinc/48/92/21/432489221.db2.gz MJZMPQWSHOCUSI-CQSZACIVSA-N 1 0 313.445 3.288 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000185442770 432500415 /nfs/dbraw/zinc/50/04/15/432500415.db2.gz SYNYKVOKXCHIJW-AAEUAGOBSA-N 1 0 324.396 3.191 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000193872880 432506128 /nfs/dbraw/zinc/50/61/28/432506128.db2.gz QQARPJZEURKFJQ-UXLLHSPISA-N 1 0 304.434 3.135 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2c(C)noc2C)c1 ZINC000185501428 432507073 /nfs/dbraw/zinc/50/70/73/432507073.db2.gz ZITCUFHQNZPQAT-GHMZBOCLSA-N 1 0 304.390 3.287 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1 ZINC000185525421 432509359 /nfs/dbraw/zinc/50/93/59/432509359.db2.gz XFOMPDLSWNJUES-GDBMZVCRSA-N 1 0 315.413 3.218 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)c1 ZINC000185090983 432465018 /nfs/dbraw/zinc/46/50/18/432465018.db2.gz BURWSRRPSKHHHF-CQSZACIVSA-N 1 0 304.434 3.190 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(Br)cc1O ZINC000185090282 432465205 /nfs/dbraw/zinc/46/52/05/432465205.db2.gz QSYHMVJZDHNJHY-GHMZBOCLSA-N 1 0 314.223 3.232 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000185648984 432517972 /nfs/dbraw/zinc/51/79/72/432517972.db2.gz JACKRSQHVOGQIU-AWEZNQCLSA-N 1 0 318.461 3.458 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000185657343 432519546 /nfs/dbraw/zinc/51/95/46/432519546.db2.gz UWXNLBUGRIUJOJ-HFZMZTSTSA-N 1 0 309.475 3.431 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000186618570 432615300 /nfs/dbraw/zinc/61/53/00/432615300.db2.gz QODBDPBSGBQXJJ-CYBMUJFWSA-N 1 0 315.413 3.479 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1O ZINC000186171153 432565587 /nfs/dbraw/zinc/56/55/87/432565587.db2.gz YDJCNRHQRAGTTN-TZMCWYRMSA-N 1 0 317.820 3.370 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOC2CCOCC2)c(O)c1C ZINC000273467760 432602768 /nfs/dbraw/zinc/60/27/68/432602768.db2.gz JDGGUFNMCACAQO-OAHLLOKOSA-N 1 0 307.434 3.245 20 10 DGCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186520028 432604511 /nfs/dbraw/zinc/60/45/11/432604511.db2.gz ZUMHXGQEXISFSZ-KJDJKKKBSA-N 1 0 314.223 3.132 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177677458 432648983 /nfs/dbraw/zinc/64/89/83/432648983.db2.gz HIKCNLNYHJEJHE-INIZCTEOSA-N 1 0 316.445 3.005 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1C ZINC000274326422 432652969 /nfs/dbraw/zinc/65/29/69/432652969.db2.gz YHUKVOZPQMKJGW-JTSKRJEESA-N 1 0 317.454 3.213 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c(Cl)cccc2OC)c1O ZINC000188281512 432715585 /nfs/dbraw/zinc/71/55/85/432715585.db2.gz JLYMVPJDXYWQNH-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CN2CCCCC2)c1O ZINC000228670920 432718737 /nfs/dbraw/zinc/71/87/37/432718737.db2.gz BHMDABGREFSMOO-LBPRGKRZSA-N 1 0 312.841 3.018 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCCS2)c1O ZINC000228676052 432719241 /nfs/dbraw/zinc/71/92/41/432719241.db2.gz MSCDJJXGLVTLIZ-AWEZNQCLSA-N 1 0 301.839 3.430 20 10 DGCDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215589 432724753 /nfs/dbraw/zinc/72/47/53/432724753.db2.gz BTQBJKINLQTVMY-XLIONFOSSA-N 1 0 315.505 3.449 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)cc1OC ZINC000187679567 432676330 /nfs/dbraw/zinc/67/63/30/432676330.db2.gz XEKDZUYPUSPJIM-HOCLYGCPSA-N 1 0 323.433 3.093 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccc(F)cn1)C[C@H]1CCCO1 ZINC000276198331 432782244 /nfs/dbraw/zinc/78/22/44/432782244.db2.gz JCVLUEPMWGHOLX-QGZVFWFLSA-N 1 0 316.376 3.108 20 10 DGCDRO CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccccc1O ZINC000276205176 432782580 /nfs/dbraw/zinc/78/25/80/432782580.db2.gz JXQOARKHVGZSPH-LLVKDONJSA-N 1 0 309.303 3.350 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCC(OCC)OCC)c(O)c1 ZINC000276090710 432773146 /nfs/dbraw/zinc/77/31/46/432773146.db2.gz HRFUYLIJVHWPSX-UHFFFAOYSA-N 1 0 311.422 3.060 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2OC)c1O ZINC000237229206 432781416 /nfs/dbraw/zinc/78/14/16/432781416.db2.gz WUFAEYUXGUDTKK-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1C ZINC000278308855 432890697 /nfs/dbraw/zinc/89/06/97/432890697.db2.gz DZCURHBOQYNGRC-SWLSCSKDSA-N 1 0 317.351 3.144 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000278272768 432890777 /nfs/dbraw/zinc/89/07/77/432890777.db2.gz PBFZRVPHYCNGPL-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278307242 432890870 /nfs/dbraw/zinc/89/08/70/432890870.db2.gz SCPNCGIZWZFUGR-UHFFFAOYSA-N 1 0 320.339 3.109 20 10 DGCDRO COc1ccc(C[NH2+]CCOCC(F)(F)C(F)F)cc1C ZINC000277430394 432848877 /nfs/dbraw/zinc/84/88/77/432848877.db2.gz CHEBLCHITGDSSJ-UHFFFAOYSA-N 1 0 309.303 3.010 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000296781860 432925855 /nfs/dbraw/zinc/92/58/55/432925855.db2.gz LVVURSAKDYQCHH-GDBMZVCRSA-N 1 0 304.434 3.038 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)CN(C)Cc2ccccc2)c1 ZINC000289249020 432938337 /nfs/dbraw/zinc/93/83/37/432938337.db2.gz AVWAPWIPGUOBIO-OAHLLOKOSA-N 1 0 314.429 3.011 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1 ZINC000289914334 432979153 /nfs/dbraw/zinc/97/91/53/432979153.db2.gz RVBDFNOSNDGBPX-VQTJNVASSA-N 1 0 310.441 3.008 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1ccc(N(C)C)cc1 ZINC000279571899 432984136 /nfs/dbraw/zinc/98/41/36/432984136.db2.gz SYIQECJNBUOYJW-SFHVURJKSA-N 1 0 313.445 3.001 20 10 DGCDRO CC[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(C)cc1O ZINC000280073920 433002458 /nfs/dbraw/zinc/00/24/58/433002458.db2.gz LDXBCKSDMBKQJT-NVXWUHKLSA-N 1 0 308.491 3.179 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCC(C)(C)O)c(C(F)(F)F)c1 ZINC000279796465 432992874 /nfs/dbraw/zinc/99/28/74/432992874.db2.gz CYYQGEGTGSABGC-UHFFFAOYSA-N 1 0 304.356 3.022 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@@H](CC)c2ccc(C)cc2O)CCC1 ZINC000280052409 433001418 /nfs/dbraw/zinc/00/14/18/433001418.db2.gz JRKLIOXWPOPTFW-HNNXBMFYSA-N 1 0 304.434 3.048 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1 ZINC000290183268 433009291 /nfs/dbraw/zinc/00/92/91/433009291.db2.gz FMGAISKWEYJRAR-VEVIJQCQSA-N 1 0 301.386 3.174 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000290402336 433045486 /nfs/dbraw/zinc/04/54/86/433045486.db2.gz JNURCGBQFVWAEI-OAHLLOKOSA-N 1 0 315.417 3.468 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccc(C)cc2O)[C@@]12CCCO2 ZINC000280218772 433016985 /nfs/dbraw/zinc/01/69/85/433016985.db2.gz UNXYJVGNBBHVAU-LULLPPNCSA-N 1 0 319.445 3.468 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1O ZINC000290347222 433036471 /nfs/dbraw/zinc/03/64/71/433036471.db2.gz FWECSNNYSJKZMH-USXIJHARSA-N 1 0 315.800 3.482 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000290369889 433040566 /nfs/dbraw/zinc/04/05/66/433040566.db2.gz ANTWTWCXALTQQI-CQSZACIVSA-N 1 0 321.808 3.088 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000373480747 433154395 /nfs/dbraw/zinc/15/43/95/433154395.db2.gz CGJPIRJDAKBLKI-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO COCCC1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000373140688 433104077 /nfs/dbraw/zinc/10/40/77/433104077.db2.gz OAUBRDLUELWUDL-UHFFFAOYSA-N 1 0 318.461 3.070 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000290826739 433180710 /nfs/dbraw/zinc/18/07/10/433180710.db2.gz HERMFQUSRCMAAU-MSOLQXFVSA-N 1 0 317.429 3.324 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000290945806 433210407 /nfs/dbraw/zinc/21/04/07/433210407.db2.gz QGGQPZYWUPMDJR-CQSZACIVSA-N 1 0 321.808 3.088 20 10 DGCDRO COCC1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000374376594 433188239 /nfs/dbraw/zinc/18/82/39/433188239.db2.gz FOPJBFUFCAHFON-UHFFFAOYSA-N 1 0 318.461 3.070 20 10 DGCDRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000280874137 433205889 /nfs/dbraw/zinc/20/58/89/433205889.db2.gz AKRGKDLLYNGSLY-XMHCIUCPSA-N 1 0 321.486 3.223 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@](C)(OC)C2CC2)ccc1OC ZINC000291067010 433219092 /nfs/dbraw/zinc/21/90/92/433219092.db2.gz QNHJCOKRKMWDBQ-GOSISDBHSA-N 1 0 307.434 3.136 20 10 DGCDRO OC[C@]1(c2ccccc2)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000291333805 433233460 /nfs/dbraw/zinc/23/34/60/433233460.db2.gz UYRHXCPECYUEHP-SFHVURJKSA-N 1 0 317.816 3.182 20 10 DGCDRO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000281721252 433359758 /nfs/dbraw/zinc/35/97/58/433359758.db2.gz UOQFAPJLAZNCAC-AEFFLSMTSA-N 1 0 320.477 3.115 20 10 DGCDRO Cc1cc(O)c(CN2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000299708654 433376269 /nfs/dbraw/zinc/37/62/69/433376269.db2.gz OHOVFZLLFBJEQH-UHFFFAOYSA-N 1 0 302.462 3.459 20 10 DGCDRO C[C@H](O)[C@](C)(C[NH2+]Cc1cc(F)ccc1O)Cc1ccccc1 ZINC000191779916 290169716 /nfs/dbraw/zinc/16/97/16/290169716.db2.gz LODLQQOSYBKLOF-LIRRHRJNSA-N 1 0 317.404 3.251 20 10 DGCDRO CCC(CC)(CO)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000362032021 433498703 /nfs/dbraw/zinc/49/87/03/433498703.db2.gz HTSGKXFNROWDII-UHFFFAOYSA-N 1 0 320.477 3.052 20 10 DGCDRO CCCCN(Cc1ccccc1O)[C@@H](C)c1nnnn1C1CC1 ZINC000282356563 433577535 /nfs/dbraw/zinc/57/75/35/433577535.db2.gz CYCLRPZMVIXNGJ-ZDUSSCGKSA-N 1 0 315.421 3.077 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@@H](C)C1 ZINC000282371589 433585663 /nfs/dbraw/zinc/58/56/63/433585663.db2.gz QHTDCJBPYCYUML-GXFFZTMASA-N 1 0 314.223 3.154 20 10 DGCDRO Oc1ccccc1C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000292899214 433601837 /nfs/dbraw/zinc/60/18/37/433601837.db2.gz GLQOBWYVPRJSSN-UHFFFAOYSA-N 1 0 315.388 3.413 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2cc(C)cc(Cl)n2)cc1OC ZINC000282500794 433616073 /nfs/dbraw/zinc/61/60/73/433616073.db2.gz NTHNXEBEWMPLEW-UHFFFAOYSA-N 1 0 322.792 3.056 20 10 DGCDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000362333882 433652754 /nfs/dbraw/zinc/65/27/54/433652754.db2.gz FFBDZULLTLXYRG-OAHLLOKOSA-N 1 0 305.809 3.425 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)c(O)c1 ZINC000293232588 433667773 /nfs/dbraw/zinc/66/77/73/433667773.db2.gz AXMHRFFDTRRIFL-OAHLLOKOSA-N 1 0 318.461 3.499 20 10 DGCDRO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000362333923 433652189 /nfs/dbraw/zinc/65/21/89/433652189.db2.gz FOGNDMXTRPGMQG-QGZVFWFLSA-N 1 0 316.424 3.271 20 10 DGCDRO CCc1noc(C)c1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000293540324 433775373 /nfs/dbraw/zinc/77/53/73/433775373.db2.gz CTKSWTOEJYJLQB-UHFFFAOYSA-N 1 0 310.781 3.203 20 10 DGCDRO COCCCN1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293807292 433875853 /nfs/dbraw/zinc/87/58/53/433875853.db2.gz RJJIYEZSOMRZKV-INIZCTEOSA-N 1 0 320.477 3.161 20 10 DGCDRO CCC[N@H+](Cc1nc(-c2ccccn2)no1)Cc1ccccc1O ZINC000363064276 433961414 /nfs/dbraw/zinc/96/14/14/433961414.db2.gz WZQBFEWLRRDERS-UHFFFAOYSA-N 1 0 324.384 3.249 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)c1O ZINC000377634637 433938171 /nfs/dbraw/zinc/93/81/71/433938171.db2.gz YAOZRSDGIQFYHL-UHFFFAOYSA-N 1 0 323.396 3.389 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1F ZINC000378276433 434129620 /nfs/dbraw/zinc/12/96/20/434129620.db2.gz ZBSLOIUOZOLHLE-GOSISDBHSA-N 1 0 313.420 3.168 20 10 DGCDRO C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294797319 434145767 /nfs/dbraw/zinc/14/57/67/434145767.db2.gz VSNTWGUQRRGNBP-FUNVUKJBSA-N 1 0 312.816 3.242 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)CC(C)(C)C)CC2)cc1 ZINC000364460138 434274039 /nfs/dbraw/zinc/27/40/39/434274039.db2.gz TVQCVMCMYANCGL-QGZVFWFLSA-N 1 0 320.477 3.051 20 10 DGCDRO CC[C@H](O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295764690 434436588 /nfs/dbraw/zinc/43/65/88/434436588.db2.gz SBFAIQPAGYYXBM-INIZCTEOSA-N 1 0 304.459 3.245 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c1 ZINC000370376190 434611641 /nfs/dbraw/zinc/61/16/41/434611641.db2.gz XDDZTXHKNZYWNC-FZKQIMNGSA-N 1 0 312.413 3.238 20 10 DGCDRO COc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)cn1 ZINC000527840530 435015590 /nfs/dbraw/zinc/01/55/90/435015590.db2.gz GYKSAJIYYWVEJJ-LJQANCHMSA-N 1 0 310.397 3.266 20 10 DGCDRO C[C@@H]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)c2c(O)cccc21 ZINC000662809594 436389665 /nfs/dbraw/zinc/38/96/65/436389665.db2.gz RCLFPKPNRUSMAW-CYBMUJFWSA-N 1 0 322.408 3.192 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1O ZINC000293515008 335111247 /nfs/dbraw/zinc/11/12/47/335111247.db2.gz ANDNJVWPGDDUGR-GOSISDBHSA-N 1 0 317.429 3.182 20 10 DGCDRO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293808376 335117467 /nfs/dbraw/zinc/11/74/67/335117467.db2.gz VMOKPVFFCBZWJM-AWEZNQCLSA-N 1 0 321.421 3.217 20 10 DGCDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185177541 333204912 /nfs/dbraw/zinc/20/49/12/333204912.db2.gz MKFJFPADVPHCFG-CQSZACIVSA-N 1 0 312.413 3.301 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187731387 333236696 /nfs/dbraw/zinc/23/66/96/333236696.db2.gz JWSPEMQYXZNBMM-JSGCOSHPSA-N 1 0 321.367 3.487 20 10 DGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(F)c(F)c1[O-] ZINC000187732129 333236972 /nfs/dbraw/zinc/23/69/72/333236972.db2.gz PCCUHWDRGKKCFL-BJOHPYRUSA-N 1 0 313.369 3.290 20 10 DGCDRO C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(Br)cc1O ZINC000296442573 335142321 /nfs/dbraw/zinc/14/23/21/335142321.db2.gz MISDCPUQVJAYMD-JTQLQIEISA-N 1 0 316.239 3.214 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)COCC(F)(F)F)c1 ZINC000295200580 334220661 /nfs/dbraw/zinc/22/06/61/334220661.db2.gz YQLLOLOFKUAIKY-GFCCVEGCSA-N 1 0 321.339 3.238 20 10 DGCDRO Cc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)cc[nH+]1 ZINC000302221033 336354707 /nfs/dbraw/zinc/35/47/07/336354707.db2.gz NHGXWQJITIMHPF-UHFFFAOYSA-N 1 0 311.429 3.211 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000184807576 337200220 /nfs/dbraw/zinc/20/02/20/337200220.db2.gz KHTCFBBVHNJXPU-UHFFFAOYSA-N 1 0 317.820 3.153 20 10 DGCDRO C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000185314062 533855087 /nfs/dbraw/zinc/85/50/87/533855087.db2.gz IRQFFVCMMNINEF-NSHDSACASA-N 1 0 312.385 3.049 20 10 DGCDRO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc2ccccc2c1O ZINC000183845609 533949493 /nfs/dbraw/zinc/94/94/93/533949493.db2.gz FFFQKBUUTBGKCN-ZDUSSCGKSA-N 1 0 322.412 3.324 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccccn3)CC2)cc1 ZINC000152363556 533998697 /nfs/dbraw/zinc/99/86/97/533998697.db2.gz YBIGUTYELCAYBC-HNNXBMFYSA-N 1 0 311.429 3.410 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc2c(c1)CC(=O)N2C ZINC000297601028 534013606 /nfs/dbraw/zinc/01/36/06/534013606.db2.gz IANPEBMXABCSGF-LRDDRELGSA-N 1 0 322.408 3.249 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000185125311 534205303 /nfs/dbraw/zinc/20/53/03/534205303.db2.gz JRDDYCQNEJDRQG-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO CC(C)=CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158079475 519398731 /nfs/dbraw/zinc/39/87/31/519398731.db2.gz BDSCAHXYDSHPPT-OAHLLOKOSA-N 1 0 322.836 3.092 20 10 DGCDRO CCOCCOCC[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000189236046 519993338 /nfs/dbraw/zinc/99/33/38/519993338.db2.gz SDCNUQPTUHPPKB-UHFFFAOYSA-N 1 0 303.402 3.030 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2)c(O)c1 ZINC000265117440 520370388 /nfs/dbraw/zinc/37/03/88/520370388.db2.gz DMENTFKDFZAGQW-IBGZPJMESA-N 1 0 315.413 3.178 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c(O)c1 ZINC000265220106 520373364 /nfs/dbraw/zinc/37/33/64/520373364.db2.gz GRFWZUYHIBTKKB-KRWDZBQOSA-N 1 0 319.376 3.143 20 10 DGCDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000236799836 520685103 /nfs/dbraw/zinc/68/51/03/520685103.db2.gz XRGHOBKRTFXXCJ-UHFFFAOYSA-N 1 0 312.413 3.212 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)Cc1nc(N)c2ccccc2n1 ZINC000157057271 521689758 /nfs/dbraw/zinc/68/97/58/521689758.db2.gz CRQAJIWFDVNSKE-UHFFFAOYSA-N 1 0 322.412 3.330 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000178095512 522728704 /nfs/dbraw/zinc/72/87/04/522728704.db2.gz PXSWNLOMTSHLBA-CJNGLKHVSA-N 1 0 305.466 3.097 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000227683643 522908180 /nfs/dbraw/zinc/90/81/80/522908180.db2.gz JNFLENOORQVLII-GXTWGEPZSA-N 1 0 308.422 3.346 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccccc1O ZINC000156780899 522926514 /nfs/dbraw/zinc/92/65/14/522926514.db2.gz NNRFVIFKOUESMJ-FRFSOERESA-N 1 0 307.459 3.488 20 10 DGCDRO COCCCOCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000181521070 523403525 /nfs/dbraw/zinc/40/35/25/523403525.db2.gz GRWWMKVTTRTAPN-UHFFFAOYSA-N 1 0 320.477 3.162 20 10 DGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000191641010 523445615 /nfs/dbraw/zinc/44/56/15/523445615.db2.gz OTKRFVYHYHAMON-GUBZILKMSA-N 1 0 302.212 3.229 20 10 DGCDRO COCCOCCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000163445891 523997338 /nfs/dbraw/zinc/99/73/38/523997338.db2.gz LVYYFFIQFQUNTF-KRWDZBQOSA-N 1 0 320.477 3.381 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)c1 ZINC000182324653 524762366 /nfs/dbraw/zinc/76/23/66/524762366.db2.gz VUIBCCZHEGMWLE-ACJLOTCBSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)c1 ZINC000188680960 524763974 /nfs/dbraw/zinc/76/39/74/524763974.db2.gz WZXCZZLFQOGMTB-FZKQIMNGSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000186107676 524764039 /nfs/dbraw/zinc/76/40/39/524764039.db2.gz MQOVWCAXOIGXKO-LLVKDONJSA-N 1 0 322.792 3.179 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1C ZINC000182107687 525322581 /nfs/dbraw/zinc/32/25/81/525322581.db2.gz VVDVMTDZKVEYRT-VGSWGCGISA-N 1 0 317.454 3.218 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124808398 525408276 /nfs/dbraw/zinc/40/82/76/525408276.db2.gz GVEPEFQCIVNYJL-UGSOOPFHSA-N 1 0 302.393 3.276 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000189311856 525420841 /nfs/dbraw/zinc/42/08/41/525420841.db2.gz AAANIIBVOSMLOT-BXWFABGCSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000237541838 525445116 /nfs/dbraw/zinc/44/51/16/525445116.db2.gz FBVOMMLHYNMZPF-ZDUSSCGKSA-N 1 0 304.365 3.106 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)c1cccc(F)c1 ZINC000267145611 525526539 /nfs/dbraw/zinc/52/65/39/525526539.db2.gz AXCYPGGOHCDNSV-FZKQIMNGSA-N 1 0 302.393 3.103 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000159649560 525637612 /nfs/dbraw/zinc/63/76/12/525637612.db2.gz JOPITBZAADKEMX-UKRRQHHQSA-N 1 0 324.465 3.209 20 10 DGCDRO CC(C)(C)OC(=O)NCCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296579733 534882210 /nfs/dbraw/zinc/88/22/10/534882210.db2.gz VWNQJHMFTRCAED-AWEZNQCLSA-N 1 0 320.433 3.274 20 10 DGCDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265738628 525895766 /nfs/dbraw/zinc/89/57/66/525895766.db2.gz DFSQVMVKXALOTF-SCLBCKFNSA-N 1 0 317.454 3.261 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1O ZINC000186919287 526159884 /nfs/dbraw/zinc/15/98/84/526159884.db2.gz NPAOWVWPSMTAEQ-PWSUYJOCSA-N 1 0 314.223 3.293 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1 ZINC000370671054 527869424 /nfs/dbraw/zinc/86/94/24/527869424.db2.gz LQROBLJEFYMQQX-KDOFPFPSSA-N 1 0 324.472 3.449 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1ccc(N(C)C)cc1 ZINC000178715993 529160316 /nfs/dbraw/zinc/16/03/16/529160316.db2.gz HRNFUIKKDUHLIW-WMLDXEAASA-N 1 0 305.466 3.098 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc([C@H](C)O)s2)cc1 ZINC000289297617 535686301 /nfs/dbraw/zinc/68/63/01/535686301.db2.gz QKGHAPQNYAYBHE-ZDUSSCGKSA-N 1 0 319.474 3.332 20 10 DGCDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000284265994 535770567 /nfs/dbraw/zinc/77/05/67/535770567.db2.gz WNFACBWPOOTLHK-AWEZNQCLSA-N 1 0 320.433 3.281 20 10 DGCDRO CCn1cc(CC[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000285037544 536039564 /nfs/dbraw/zinc/03/95/64/536039564.db2.gz NIKWILFJCKREPX-UHFFFAOYSA-N 1 0 314.477 3.422 20 10 DGCDRO COc1ccc(N2CC[NH+](CCCC3CCOCC3)CC2)cc1 ZINC000274640924 536695766 /nfs/dbraw/zinc/69/57/66/536695766.db2.gz KAFCEIGEMBQBQW-UHFFFAOYSA-N 1 0 318.461 3.024 20 10 DGCDRO COCC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000273412442 536818011 /nfs/dbraw/zinc/81/80/11/536818011.db2.gz IAMJDBMOPVHNPS-DOMZBBRYSA-N 1 0 305.374 3.422 20 10 DGCDRO CCn1cc([C@H](C)[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000294746559 546423830 /nfs/dbraw/zinc/42/38/30/546423830.db2.gz CSIQLPXVAMERSQ-JTQLQIEISA-N 1 0 324.222 3.222 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(C(F)(F)F)n2)cc1 ZINC000294817063 546424235 /nfs/dbraw/zinc/42/42/35/546424235.db2.gz OOECKCLGBXKQQB-UHFFFAOYSA-N 1 0 309.335 3.456 20 10 DGCDRO C[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001658707130 1196290045 /nfs/dbraw/zinc/29/00/45/1196290045.db2.gz GVKKXVGZLIDLTH-LLVKDONJSA-N 1 0 318.383 3.268 20 10 DGCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC(=O)CS2)C1 ZINC000732293467 574571146 /nfs/dbraw/zinc/57/11/46/574571146.db2.gz KHSROTRPMNLNKJ-LBPRGKRZSA-N 1 0 310.463 3.084 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000733324685 574615694 /nfs/dbraw/zinc/61/56/94/574615694.db2.gz SSBNMMUTDIRFJF-UHFFFAOYSA-N 1 0 324.468 3.497 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000741754283 574623282 /nfs/dbraw/zinc/62/32/82/574623282.db2.gz MYHWXONBQSFQCE-UHFFFAOYSA-N 1 0 303.494 3.447 20 10 DGCDRO CCCCOC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613192 574632239 /nfs/dbraw/zinc/63/22/39/574632239.db2.gz CMJCQFXIWMWNSC-UHFFFAOYSA-N 1 0 305.418 3.480 20 10 DGCDRO Brc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)nc1 ZINC000733797938 574639551 /nfs/dbraw/zinc/63/95/51/574639551.db2.gz GTRGBMFJSWLMBD-UHFFFAOYSA-N 1 0 319.202 3.069 20 10 DGCDRO COc1ccc(N2CCC(NC(=O)[C@H](C)C(C)(C)C)CC2)cc1 ZINC000734391781 574660398 /nfs/dbraw/zinc/66/03/98/574660398.db2.gz MJCGFFWDNOPMCC-AWEZNQCLSA-N 1 0 318.461 3.462 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCCCC2)cc1F ZINC000740000468 574917933 /nfs/dbraw/zinc/91/79/33/574917933.db2.gz CXBILWICQDLREW-UHFFFAOYSA-N 1 0 307.457 3.247 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000740759306 574941363 /nfs/dbraw/zinc/94/13/63/574941363.db2.gz XEBKHDXWLARHFF-KRWDZBQOSA-N 1 0 313.397 3.273 20 10 DGCDRO CC(C)OC(=O)CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000743839767 575064943 /nfs/dbraw/zinc/06/49/43/575064943.db2.gz YBLGUJKYEKXXBS-UHFFFAOYSA-N 1 0 318.461 3.450 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccc(F)c3)C1)OCO2 ZINC000729470265 575251265 /nfs/dbraw/zinc/25/12/65/575251265.db2.gz SLPISSFCCVSDLZ-CYBMUJFWSA-N 1 0 315.344 3.250 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccc(F)cc3)CC1)OCO2 ZINC000729685417 575260481 /nfs/dbraw/zinc/26/04/81/575260481.db2.gz ABPUIRPGIRGGQU-UHFFFAOYSA-N 1 0 301.317 3.039 20 10 DGCDRO C[C@H]1CCN(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000744450028 575343917 /nfs/dbraw/zinc/34/39/17/575343917.db2.gz JJYSAMVIESMYDF-KRWDZBQOSA-N 1 0 301.478 3.108 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](O)c1ccco1 ZINC000747098826 575495589 /nfs/dbraw/zinc/49/55/89/575495589.db2.gz YEIJHXMSXSDLSO-SFHVURJKSA-N 1 0 309.365 3.475 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](COC)Cc2ccccc2)c(O)c1 ZINC000747100513 575496580 /nfs/dbraw/zinc/49/65/80/575496580.db2.gz JAFZFXBPVNTKFO-QGZVFWFLSA-N 1 0 315.413 3.138 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000747827256 575544165 /nfs/dbraw/zinc/54/41/65/575544165.db2.gz NRBLAOYMANGHHD-HOTGVXAUSA-N 1 0 312.413 3.189 20 10 DGCDRO C[C@H](C[NH2+]Cc1cc(Br)ccc1O)c1ccncc1 ZINC000749293313 575642588 /nfs/dbraw/zinc/64/25/88/575642588.db2.gz CNEGWGKYUNTKQM-LLVKDONJSA-N 1 0 321.218 3.443 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000749799943 575679955 /nfs/dbraw/zinc/67/99/55/575679955.db2.gz PZUYCYIFTWIBMD-UONOGXRCSA-N 1 0 319.445 3.254 20 10 DGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000750826904 575754005 /nfs/dbraw/zinc/75/40/05/575754005.db2.gz UBWXMYMEQWXKHN-CVEARBPZSA-N 1 0 323.408 3.369 20 10 DGCDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000751941589 575813348 /nfs/dbraw/zinc/81/33/48/575813348.db2.gz YCLHOVMBDYWRGR-GOSISDBHSA-N 1 0 323.408 3.085 20 10 DGCDRO OC[C@H](C[NH2+]Cc1cc(Cl)ccc1O)Cc1ccc(F)cc1 ZINC000725846286 575928700 /nfs/dbraw/zinc/92/87/00/575928700.db2.gz BWYAYQVSTBXIFZ-ZDUSSCGKSA-N 1 0 323.795 3.126 20 10 DGCDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725847449 575929185 /nfs/dbraw/zinc/92/91/85/575929185.db2.gz MORBXVNVCSSWGX-HNNXBMFYSA-N 1 0 307.397 3.434 20 10 DGCDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725847450 575929193 /nfs/dbraw/zinc/92/91/93/575929193.db2.gz MORBXVNVCSSWGX-OAHLLOKOSA-N 1 0 307.397 3.434 20 10 DGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000726966139 576087784 /nfs/dbraw/zinc/08/77/84/576087784.db2.gz CMKXMGQRDQSXRQ-UHFFFAOYSA-N 1 0 320.433 3.062 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCC[C@@H](C)C2)cc1 ZINC000727644168 576135816 /nfs/dbraw/zinc/13/58/16/576135816.db2.gz ZAFTXXCDFUSRHD-QGZVFWFLSA-N 1 0 303.494 3.354 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000852800139 620649358 /nfs/dbraw/zinc/64/93/58/620649358.db2.gz LAECTAOBZBEKIF-HNNXBMFYSA-N 1 0 306.450 3.142 20 10 DGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CC1([NH3+])CC1 ZINC000852882667 620653774 /nfs/dbraw/zinc/65/37/74/620653774.db2.gz NUGCGVWOEWIPGA-HNNXBMFYSA-N 1 0 324.424 3.363 20 10 DGCDRO Cc1cccnc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000154616431 620693682 /nfs/dbraw/zinc/69/36/82/620693682.db2.gz IMWSPAMPHZENCI-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO CCCCNC(=O)C1([NH2+]Cc2cc(C)ccc2O)CCCCC1 ZINC000154638946 620695902 /nfs/dbraw/zinc/69/59/02/620695902.db2.gz IDYPCYADDJQJMY-UHFFFAOYSA-N 1 0 318.461 3.409 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCOC(C3CC3)(C3CC3)C1)CCC2 ZINC000853582269 620712479 /nfs/dbraw/zinc/71/24/79/620712479.db2.gz INVFPSGTCPHSJX-UHFFFAOYSA-N 1 0 313.441 3.272 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853585948 620712933 /nfs/dbraw/zinc/71/29/33/620712933.db2.gz LRHYDHAUIPULFS-HOCLYGCPSA-N 1 0 303.446 3.466 20 10 DGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@](C)(C(F)F)O1 ZINC000853631455 620717630 /nfs/dbraw/zinc/71/76/30/620717630.db2.gz WKNAWZDCUWSWLA-APPDUMDISA-N 1 0 322.355 3.185 20 10 DGCDRO CCCCCC[N@H+](C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000111608338 620740987 /nfs/dbraw/zinc/74/09/87/620740987.db2.gz GRJCTEGBRYNFEJ-AWEZNQCLSA-N 1 0 322.449 3.090 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891853213 617912158 /nfs/dbraw/zinc/91/21/58/617912158.db2.gz FINDXPBEQZXSAE-HOTGVXAUSA-N 1 0 323.408 3.238 20 10 DGCDRO COc1ccc(CN2CC[C@H]2c2cccc(F)c2)c(O)c1OC ZINC000892133335 617971439 /nfs/dbraw/zinc/97/14/39/617971439.db2.gz NXFBONUMDHYJAL-HNNXBMFYSA-N 1 0 317.360 3.496 20 10 DGCDRO COc1ccc(C[NH2+]CCCNc2ccccc2)c(O)c1OC ZINC000892396281 618055451 /nfs/dbraw/zinc/05/54/51/618055451.db2.gz CGMMLHTVYAQGJR-UHFFFAOYSA-N 1 0 316.401 3.001 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c(O)c1OC ZINC000892621143 618120474 /nfs/dbraw/zinc/12/04/74/618120474.db2.gz HRWBNYROJWMISK-SMDDNHRTSA-N 1 0 317.385 3.416 20 10 DGCDRO CC[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1O ZINC000854226257 620785490 /nfs/dbraw/zinc/78/54/90/620785490.db2.gz GMGBSEVKXQXUCL-VROQLPPWSA-N 1 0 314.351 3.204 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](c2cccs2)N(C)C)c1O ZINC000894383284 618298243 /nfs/dbraw/zinc/29/82/43/618298243.db2.gz FCJWBPQFHPFAEY-AWEZNQCLSA-N 1 0 320.458 3.163 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](c2cccs2)N(C)C)c1O ZINC000894383287 618298465 /nfs/dbraw/zinc/29/84/65/618298465.db2.gz FCJWBPQFHPFAEY-CQSZACIVSA-N 1 0 320.458 3.163 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccnc(SC)c2)c1O ZINC000894416569 618321103 /nfs/dbraw/zinc/32/11/03/618321103.db2.gz UYRFJBIFNVTYFS-UHFFFAOYSA-N 1 0 304.415 3.116 20 10 DGCDRO COCC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccc(C)o1 ZINC000894420694 618321919 /nfs/dbraw/zinc/32/19/19/618321919.db2.gz QJRGZNDIMOIFGO-HNNXBMFYSA-N 1 0 319.401 3.478 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000840894452 618337976 /nfs/dbraw/zinc/33/79/76/618337976.db2.gz RNZAYKYOJDFWHE-LSDHHAIUSA-N 1 0 300.450 3.076 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C)c1ccn(C)n1 ZINC000840894824 618344615 /nfs/dbraw/zinc/34/46/15/618344615.db2.gz UDPATHBCMWHVEK-YJBOKZPZSA-N 1 0 314.477 3.466 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc3c2OC(F)(F)O3)c1 ZINC000840896665 618403486 /nfs/dbraw/zinc/40/34/86/618403486.db2.gz GIPDGVKVWYXTFA-UHFFFAOYSA-N 1 0 323.295 3.012 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1OC ZINC000893255515 618487955 /nfs/dbraw/zinc/48/79/55/618487955.db2.gz JUDJLKODIVGYAJ-HIFRSBDPSA-N 1 0 323.433 3.093 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@](C)(OC)c2ccccc2)c1O ZINC000894897500 618492294 /nfs/dbraw/zinc/49/22/94/618492294.db2.gz FWBYUWHTWZBZBA-LJQANCHMSA-N 1 0 315.413 3.361 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1O ZINC000894902657 618495230 /nfs/dbraw/zinc/49/52/30/618495230.db2.gz KHVCWHWVVQFWAH-RDJZCZTQSA-N 1 0 309.450 3.088 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O ZINC000894983372 618506932 /nfs/dbraw/zinc/50/69/32/618506932.db2.gz CNHAMGAVAACUFC-DLBZAZTESA-N 1 0 319.445 3.082 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000894993312 618507083 /nfs/dbraw/zinc/50/70/83/618507083.db2.gz JCBQXVKQFMAFCO-DLBZAZTESA-N 1 0 313.397 3.017 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c(O)c1OC ZINC000893320648 618512403 /nfs/dbraw/zinc/51/24/03/618512403.db2.gz SDENPDXBEBWFDC-HUUCEWRRSA-N 1 0 323.433 3.093 20 10 DGCDRO COCC1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000112331982 620816594 /nfs/dbraw/zinc/81/65/94/620816594.db2.gz FKQDJZCVNNXFNH-UHFFFAOYSA-N 1 0 315.413 3.412 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000840933466 618609465 /nfs/dbraw/zinc/60/94/65/618609465.db2.gz HEFJTDNYBKEDHU-LJQANCHMSA-N 1 0 312.457 3.317 20 10 DGCDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893591840 618612417 /nfs/dbraw/zinc/61/24/17/618612417.db2.gz HYWALUFPRGODDU-JTQLQIEISA-N 1 0 307.312 3.230 20 10 DGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000112380070 620821308 /nfs/dbraw/zinc/82/13/08/620821308.db2.gz CFBOIUJLEWFPPD-YGRLFVJLSA-N 1 0 316.239 3.041 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840975226 618651710 /nfs/dbraw/zinc/65/17/10/618651710.db2.gz DXURTAPQOVVFTF-OAHLLOKOSA-N 1 0 313.445 3.185 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2c2cccn2C)c1O ZINC000893909476 618674340 /nfs/dbraw/zinc/67/43/40/618674340.db2.gz OONXAKUATYSMBV-INIZCTEOSA-N 1 0 300.402 3.385 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1O ZINC000893981098 618686821 /nfs/dbraw/zinc/68/68/21/618686821.db2.gz SCPVGAQDAWIKHP-UHFFFAOYSA-N 1 0 313.397 3.016 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894202762 618727971 /nfs/dbraw/zinc/72/79/71/618727971.db2.gz KRBLZVAGKURIDN-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2c(C)cc(C)nc2OC)c1O ZINC000894221337 618732980 /nfs/dbraw/zinc/73/29/80/618732980.db2.gz ONJVRVODEOSULC-UHFFFAOYSA-N 1 0 316.401 3.019 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C3(Cl)CC3)CC2)cc1 ZINC000924907744 618735306 /nfs/dbraw/zinc/73/53/06/618735306.db2.gz SDIYIHJOADVLPK-CYBMUJFWSA-N 1 0 308.853 3.414 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c1O ZINC000894238977 618736347 /nfs/dbraw/zinc/73/63/47/618736347.db2.gz WWYOIILOTCLENA-ZDUSSCGKSA-N 1 0 301.386 3.136 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2ccccc2Cl)c1O ZINC000894289153 618753094 /nfs/dbraw/zinc/75/30/94/618753094.db2.gz IODBHTXLRAHZEI-OAHLLOKOSA-N 1 0 321.804 3.186 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCCSc2nccs2)c1O ZINC000894303270 618757486 /nfs/dbraw/zinc/75/74/86/618757486.db2.gz HNLPEIDPQQVVQF-UHFFFAOYSA-N 1 0 324.471 3.438 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000894312652 618762044 /nfs/dbraw/zinc/76/20/44/618762044.db2.gz LXZSZCGUHJFOIW-XYPHTWIQSA-N 1 0 305.418 3.002 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC2(CCO)CCCCC2)c1O ZINC000894317662 618763147 /nfs/dbraw/zinc/76/31/47/618763147.db2.gz OMNLYDWQTIHLDC-UHFFFAOYSA-N 1 0 307.434 3.132 20 10 DGCDRO COc1cc(C)ccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894343268 618768353 /nfs/dbraw/zinc/76/83/53/618768353.db2.gz BBJXLRVZEFDMPS-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000894366317 618772547 /nfs/dbraw/zinc/77/25/47/618772547.db2.gz LPTNLNJYJQMNLF-GOEBONIOSA-N 1 0 307.434 3.393 20 10 DGCDRO COC(=O)c1cc(C[NH2+]Cc2cc(C)ccc2O)[nH]c1C(C)C ZINC000895393314 618778433 /nfs/dbraw/zinc/77/84/33/618778433.db2.gz ZYDLWCYHDXCCCN-UHFFFAOYSA-N 1 0 316.401 3.229 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](OC)C2CCCCC2)c(O)c1OC ZINC000895454031 618785596 /nfs/dbraw/zinc/78/55/96/618785596.db2.gz UZRASIDOGFXSAX-INIZCTEOSA-N 1 0 323.433 3.094 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c1O ZINC000895536340 618796492 /nfs/dbraw/zinc/79/64/92/618796492.db2.gz KNASERCGEPJNKD-QGZVFWFLSA-N 1 0 319.445 3.020 20 10 DGCDRO COc1ccc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c(O)c1OC ZINC000895551237 618797915 /nfs/dbraw/zinc/79/79/15/618797915.db2.gz UMEKAPNGBOYXBV-GHMZBOCLSA-N 1 0 315.360 3.133 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C2CCC3(COC3)CC2)c1O ZINC000895694726 618817902 /nfs/dbraw/zinc/81/79/02/618817902.db2.gz JESYWPMNOVOAAE-UHFFFAOYSA-N 1 0 311.809 3.103 20 10 DGCDRO CCN(CC)c1ccc(CNCc2nc(C(F)F)no2)cc1 ZINC000895729448 618824360 /nfs/dbraw/zinc/82/43/60/618824360.db2.gz PMENYCKFYNBHRA-UHFFFAOYSA-N 1 0 310.348 3.143 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1 ZINC000895822514 618836382 /nfs/dbraw/zinc/83/63/82/618836382.db2.gz ODHIKHRDTVRNTH-KRWDZBQOSA-N 1 0 305.418 3.230 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1Cl ZINC000895837593 618836478 /nfs/dbraw/zinc/83/64/78/618836478.db2.gz OAHPOYPWJYYXRD-CYBMUJFWSA-N 1 0 323.742 3.101 20 10 DGCDRO COc1cc2c(cc1O)CC[N@H+](Cc1cc(C)c(C)cc1O)C2 ZINC000895889674 618846054 /nfs/dbraw/zinc/84/60/54/618846054.db2.gz ZIJIXRSTNXIERQ-UHFFFAOYSA-N 1 0 313.397 3.282 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)cc1 ZINC000896239804 618892026 /nfs/dbraw/zinc/89/20/26/618892026.db2.gz LYJKBYYCVKGRMQ-INIZCTEOSA-N 1 0 314.433 3.214 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000896295578 618897506 /nfs/dbraw/zinc/89/75/06/618897506.db2.gz CBBTXVPFOIGYKX-UHFFFAOYSA-N 1 0 308.429 3.238 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1Cl ZINC000896488411 618917927 /nfs/dbraw/zinc/91/79/27/618917927.db2.gz MWEGJYUBRHDLKK-CYBMUJFWSA-N 1 0 319.836 3.467 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)cc1F ZINC000896492028 618918214 /nfs/dbraw/zinc/91/82/14/618918214.db2.gz JRFUIAKTPGDXSP-HNNXBMFYSA-N 1 0 316.424 3.005 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(c3ccn(C)n3)CC2)cc1F ZINC000896494606 618920234 /nfs/dbraw/zinc/92/02/34/618920234.db2.gz DFOKIXMVSNYJGY-UHFFFAOYSA-N 1 0 316.424 3.005 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896531007 618923160 /nfs/dbraw/zinc/92/31/60/618923160.db2.gz IEZITQXSERCHAZ-ZDUSSCGKSA-N 1 0 318.442 3.312 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(OC(C)C)CCOC2)cc1Cl ZINC000896668184 618942183 /nfs/dbraw/zinc/94/21/83/618942183.db2.gz DFMYFTRAEQBZNN-MRXNPFEDSA-N 1 0 313.825 3.028 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000896821127 618965071 /nfs/dbraw/zinc/96/50/71/618965071.db2.gz FDQRTIYSHIKNDY-WCQYABFASA-N 1 0 307.287 3.121 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c(O)c1 ZINC000896824013 618965575 /nfs/dbraw/zinc/96/55/75/618965575.db2.gz RAJVPERWBGJDOL-OCCSQVGLSA-N 1 0 303.324 3.290 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c1O ZINC000897081085 619012315 /nfs/dbraw/zinc/01/23/15/619012315.db2.gz JKRFXSJSIIGZBQ-PBHICJAKSA-N 1 0 305.418 3.004 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1O ZINC000897267602 619039360 /nfs/dbraw/zinc/03/93/60/619039360.db2.gz MXBROXDJVDEZTD-MRXNPFEDSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1O ZINC000897272093 619040637 /nfs/dbraw/zinc/04/06/37/619040637.db2.gz XABJCURTOYLGPG-INIZCTEOSA-N 1 0 319.445 3.348 20 10 DGCDRO Cc1ccc(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)c(O)c1 ZINC000897319144 619055300 /nfs/dbraw/zinc/05/53/00/619055300.db2.gz ASWNAHCSAQBPGX-UHFFFAOYSA-N 1 0 321.380 3.350 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc2c1OCC2 ZINC000788983655 625314170 /nfs/dbraw/zinc/31/41/70/625314170.db2.gz CVRDYFDQLDRTOX-OKZBNKHCSA-N 1 0 301.430 3.306 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)cc1C ZINC000035052639 619095482 /nfs/dbraw/zinc/09/54/82/619095482.db2.gz DHTCWNJMXSRZTN-HNNXBMFYSA-N 1 0 304.459 3.458 20 10 DGCDRO CC[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000897423765 619110616 /nfs/dbraw/zinc/11/06/16/619110616.db2.gz PMLXVKUBCWGXEK-CQSZACIVSA-N 1 0 320.433 3.490 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cccc(Cl)c2OC)c1O ZINC000897483493 619135551 /nfs/dbraw/zinc/13/55/51/619135551.db2.gz QQRQQCHHZUCKBE-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO C[C@H]1CC2(CC([NH2+]Cc3cc(F)c(N(C)C)cc3F)C2)CO1 ZINC000897775120 619179242 /nfs/dbraw/zinc/17/92/42/619179242.db2.gz BENIPNBJYVVUHU-BLQFLSLASA-N 1 0 310.388 3.078 20 10 DGCDRO c1cc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)cc2c1OCC2 ZINC000897862581 619188857 /nfs/dbraw/zinc/18/88/57/619188857.db2.gz LDVWFBJPYDTHCI-UHFFFAOYSA-N 1 0 323.392 3.172 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](CCO)C2CCCC2)ccc1OC ZINC000897885409 619191613 /nfs/dbraw/zinc/19/16/13/619191613.db2.gz JIAXEOIZUJJNRJ-GOSISDBHSA-N 1 0 321.461 3.263 20 10 DGCDRO C[C@H](Cc1cccnc1)[NH2+]Cc1cc(Br)ccc1O ZINC000897969116 619200813 /nfs/dbraw/zinc/20/08/13/619200813.db2.gz FFJJLYUTNAFHNX-LLVKDONJSA-N 1 0 321.218 3.271 20 10 DGCDRO Cc1nc2ccccn2c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000898272664 619231130 /nfs/dbraw/zinc/23/11/30/619231130.db2.gz ZFEOWRRUSTVZMK-UHFFFAOYSA-N 1 0 307.397 3.258 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)c1 ZINC000927072684 619262317 /nfs/dbraw/zinc/26/23/17/619262317.db2.gz YRHUTQRBJMLWNV-PXAZEXFGSA-N 1 0 303.406 3.182 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc3c(s2)COCC3)c(O)c1C ZINC000927121629 619268593 /nfs/dbraw/zinc/26/85/93/619268593.db2.gz NUJCSBIFMAVHED-GFCCVEGCSA-N 1 0 318.442 3.389 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898516414 619283625 /nfs/dbraw/zinc/28/36/25/619283625.db2.gz RPCUQWVTDLNKOH-LSDHHAIUSA-N 1 0 305.418 3.039 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901053845 619469597 /nfs/dbraw/zinc/46/95/97/619469597.db2.gz SOZJXUBMOCUUMN-SJORKVTESA-N 1 0 316.445 3.148 20 10 DGCDRO C[C@@H]([NH2+]Cc1csc(N)n1)c1cc2c(cc1O)CCCC2 ZINC000902500486 619643434 /nfs/dbraw/zinc/64/34/34/619643434.db2.gz WOUNIUOFCBOHTD-SNVBAGLBSA-N 1 0 303.431 3.161 20 10 DGCDRO O=C(/C=C/c1cccnc1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000902699819 619663522 /nfs/dbraw/zinc/66/35/22/619663522.db2.gz SWMZVIZSZZCIDC-QZEKMECESA-N 1 0 319.408 3.106 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC000903174992 619729992 /nfs/dbraw/zinc/72/99/92/619729992.db2.gz BRECDKGGDNSCQR-NQBHXWOUSA-N 1 0 301.308 3.079 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1cc(F)ccc1O ZINC000903271618 619750333 /nfs/dbraw/zinc/75/03/33/619750333.db2.gz OLYACVLHZMUYFG-AXHNFQJDSA-N 1 0 315.388 3.275 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cc2c(cc1O)CCCC2 ZINC000903273763 619750701 /nfs/dbraw/zinc/75/07/01/619750701.db2.gz DESGQZNJLUZXSO-CYBMUJFWSA-N 1 0 317.408 3.288 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C1(c3ccc4c(c3)OCCO4)CC1)CC2 ZINC000903293649 619752374 /nfs/dbraw/zinc/75/23/74/619752374.db2.gz FONKQDHJAJQNBR-HNNXBMFYSA-N 1 0 323.392 3.430 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(C(F)(F)F)cc1O ZINC000903317397 619758761 /nfs/dbraw/zinc/75/87/61/619758761.db2.gz KFYCSRYBNRXHRZ-WCQYABFASA-N 1 0 302.340 3.156 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903874007 619827490 /nfs/dbraw/zinc/82/74/90/619827490.db2.gz QKLCRAQNYQUVKV-HNNXBMFYSA-N 1 0 311.420 3.091 20 10 DGCDRO CNc1ccccc1C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000904436695 619922208 /nfs/dbraw/zinc/92/22/08/619922208.db2.gz JYIHSQUOSGFOIZ-MRXNPFEDSA-N 1 0 311.429 3.105 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1C[NH3+] ZINC000904657820 619937666 /nfs/dbraw/zinc/93/76/66/619937666.db2.gz BKYQTZJULQGGNA-UHFFFAOYSA-N 1 0 313.401 3.295 20 10 DGCDRO COc1cc(C[N@@H+]2CCO[C@H](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000905740811 620025248 /nfs/dbraw/zinc/02/52/48/620025248.db2.gz UVSULIPPFLRORZ-CYBMUJFWSA-N 1 0 307.434 3.309 20 10 DGCDRO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C)O)ccc1N1CCCCC1 ZINC000852558045 620629036 /nfs/dbraw/zinc/62/90/36/620629036.db2.gz FDYPDFCUUPOCAH-QFBILLFUSA-N 1 0 302.462 3.331 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cn3cc(Cl)ccc3n2)c1 ZINC000113319605 620900499 /nfs/dbraw/zinc/90/04/99/620900499.db2.gz RUYMKXBBZRSKMN-UHFFFAOYSA-N 1 0 301.777 3.292 20 10 DGCDRO CCNC(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113322119 620904466 /nfs/dbraw/zinc/90/44/66/620904466.db2.gz GIGYQWJZFHJDHC-UHFFFAOYSA-N 1 0 318.804 3.085 20 10 DGCDRO Cc1nc(C)c(CC[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000921716349 620939846 /nfs/dbraw/zinc/93/98/46/620939846.db2.gz MHSAWYLEKSEKBB-UHFFFAOYSA-N 1 0 302.443 3.417 20 10 DGCDRO OCC[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921767172 620946839 /nfs/dbraw/zinc/94/68/39/620946839.db2.gz OICIHFQHLSDPSW-IBGZPJMESA-N 1 0 311.425 3.267 20 10 DGCDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921815219 620954299 /nfs/dbraw/zinc/95/42/99/620954299.db2.gz IXNLSGWHWMRWIQ-JLHGSKIFSA-N 1 0 321.486 3.181 20 10 DGCDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921934532 620969830 /nfs/dbraw/zinc/96/98/30/620969830.db2.gz DZASHRWUAMIVER-LJQANCHMSA-N 1 0 308.425 3.288 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCCC13CCOCC3)CCCO2 ZINC000922102678 620989322 /nfs/dbraw/zinc/98/93/22/620989322.db2.gz NYMVJKXZIRCTNV-GOSISDBHSA-N 1 0 301.430 3.451 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCO[C@H]2CCCCO2)cc1 ZINC000922231559 621010321 /nfs/dbraw/zinc/01/03/21/621010321.db2.gz OCXSZLAIDKNUFT-WPGJWXSHSA-N 1 0 318.461 3.289 20 10 DGCDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922251543 621013593 /nfs/dbraw/zinc/01/35/93/621013593.db2.gz STBJIJDGIHSHPR-UHFFFAOYSA-N 1 0 311.429 3.302 20 10 DGCDRO COC(OC)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000922311188 621021489 /nfs/dbraw/zinc/02/14/89/621021489.db2.gz CIIGWWCUMOEODF-CYBMUJFWSA-N 1 0 301.386 3.156 20 10 DGCDRO CCOc1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c(O)c1 ZINC000856806829 621023864 /nfs/dbraw/zinc/02/38/64/621023864.db2.gz JIUDTVRQUVMLTP-LLVKDONJSA-N 1 0 304.217 3.464 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2nccc3c2CCCC3)c1 ZINC000922467546 621041985 /nfs/dbraw/zinc/04/19/85/621041985.db2.gz XKQUKOGEGDWDRS-UHFFFAOYSA-N 1 0 312.413 3.355 20 10 DGCDRO COc1ccc(F)c(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000857081166 621056410 /nfs/dbraw/zinc/05/64/10/621056410.db2.gz MMRSCFIEJJNKLV-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO C[C@@H]([NH2+]CC1CC(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000857084581 621056543 /nfs/dbraw/zinc/05/65/43/621056543.db2.gz WWHVWYRJEPOTHF-SHARSMKWSA-N 1 0 306.425 3.359 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1O)c1cccc(F)c1 ZINC000922564944 621058058 /nfs/dbraw/zinc/05/80/58/621058058.db2.gz XDJNYPJLXJQJGD-INIZCTEOSA-N 1 0 309.768 3.182 20 10 DGCDRO C[NH+](C)CC[C@@H](NCc1cc(Cl)ccc1O)c1cccnc1 ZINC000922629864 621070126 /nfs/dbraw/zinc/07/01/26/621070126.db2.gz AEGZPQGIJBNKKZ-MRXNPFEDSA-N 1 0 319.836 3.223 20 10 DGCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(C)c(C)cc3O)C2)n1 ZINC000922868332 621112014 /nfs/dbraw/zinc/11/20/14/621112014.db2.gz YDVAIKNUPYEWCS-DZGCQCFKSA-N 1 0 315.417 3.380 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115543726 621117674 /nfs/dbraw/zinc/11/76/74/621117674.db2.gz JNYRUZALAPDJBE-QGZVFWFLSA-N 1 0 310.397 3.020 20 10 DGCDRO CCN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757533 621118015 /nfs/dbraw/zinc/11/80/15/621118015.db2.gz KQWYGOPJLUGDMZ-INIZCTEOSA-N 1 0 319.493 3.222 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cc(C3CC3)nn2C)cc1 ZINC000922946594 621135717 /nfs/dbraw/zinc/13/57/17/621135717.db2.gz BENFMAAQEMVFSQ-PLNGDYQASA-N 1 0 310.445 3.167 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)c1O ZINC000922958954 621138019 /nfs/dbraw/zinc/13/80/19/621138019.db2.gz BXYAJKBDSBITSJ-LJQANCHMSA-N 1 0 313.397 3.196 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c1 ZINC000922966991 621139154 /nfs/dbraw/zinc/13/91/54/621139154.db2.gz CCOYGOSTXKZJJB-OAHLLOKOSA-N 1 0 305.418 3.372 20 10 DGCDRO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)nc1 ZINC000858010997 621143698 /nfs/dbraw/zinc/14/36/98/621143698.db2.gz ITMNRIVOMLXJAG-GOSISDBHSA-N 1 0 311.429 3.109 20 10 DGCDRO OC[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000923005463 621146133 /nfs/dbraw/zinc/14/61/33/621146133.db2.gz UDZWYONVMJVJKX-KESTWPANSA-N 1 0 322.452 3.110 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000858100470 621152739 /nfs/dbraw/zinc/15/27/39/621152739.db2.gz HULVREKQKSYOEZ-COXVUDFISA-N 1 0 318.436 3.187 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858137157 621156721 /nfs/dbraw/zinc/15/67/21/621156721.db2.gz HUZGEYOMHDFWFZ-UHFFFAOYSA-N 1 0 322.355 3.035 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1F ZINC000858185928 621162535 /nfs/dbraw/zinc/16/25/35/621162535.db2.gz KGQFVGNTADDWDV-IAGOWNOFSA-N 1 0 323.431 3.137 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CC23CCCCC3)ccc1N1CCOCC1 ZINC000858190434 621163306 /nfs/dbraw/zinc/16/33/06/621163306.db2.gz CBKGMUGQFGJJRM-GOSISDBHSA-N 1 0 318.436 3.475 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2C(C)(C)C2(F)F)cc1F ZINC000858191956 621163753 /nfs/dbraw/zinc/16/37/53/621163753.db2.gz CQWRQIBEBOOHLV-ZDUSSCGKSA-N 1 0 304.331 3.412 20 10 DGCDRO COc1cc2c(c(C[NH2+]Cc3cc(C)ccc3O)c1)O[C@H](C)C2 ZINC000858238131 621167331 /nfs/dbraw/zinc/16/73/31/621167331.db2.gz VVBGEYAOWFJILE-CYBMUJFWSA-N 1 0 313.397 3.322 20 10 DGCDRO C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000858245104 621167881 /nfs/dbraw/zinc/16/78/81/621167881.db2.gz NDDVRXQVJQQRBP-LJQANCHMSA-N 1 0 315.505 3.498 20 10 DGCDRO CN(C)c1cc(F)c(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1F ZINC000858285021 621171153 /nfs/dbraw/zinc/17/11/53/621171153.db2.gz GVQRAKAZSLGERC-OAHLLOKOSA-N 1 0 323.431 3.137 20 10 DGCDRO COc1ccc(N(C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000923309100 621175281 /nfs/dbraw/zinc/17/52/81/621175281.db2.gz QUARTCJOYCSBKS-GOOCMWNKSA-N 1 0 304.434 3.061 20 10 DGCDRO Cc1cc(C2([NH2+]Cc3cc(C)c(C)cc3O)CCOCC2)on1 ZINC000858326008 621176090 /nfs/dbraw/zinc/17/60/90/621176090.db2.gz SWFFOPCCPNFGMM-UHFFFAOYSA-N 1 0 316.401 3.101 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCCC12CC2 ZINC000858330547 621176641 /nfs/dbraw/zinc/17/66/41/621176641.db2.gz BYGBFAPJYSWDIW-QGZVFWFLSA-N 1 0 300.446 3.193 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CCCCO1 ZINC000858355373 621180519 /nfs/dbraw/zinc/18/05/19/621180519.db2.gz SSSOCFYMLTWUQQ-CRAIPNDOSA-N 1 0 320.502 3.287 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3nc(C)cs3)C2)cc1 ZINC000858431367 621189939 /nfs/dbraw/zinc/18/99/39/621189939.db2.gz VZIDKWHGWICQQH-ZIAGYGMSSA-N 1 0 317.458 3.390 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(F)ccc1O ZINC000858448559 621192388 /nfs/dbraw/zinc/19/23/88/621192388.db2.gz CKKAYOBUKAKWDY-RNCFNFMXSA-N 1 0 317.286 3.182 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(F)ccc1O ZINC000858448558 621192505 /nfs/dbraw/zinc/19/25/05/621192505.db2.gz CKKAYOBUKAKWDY-NOZJJQNGSA-N 1 0 317.286 3.182 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)c1 ZINC000858452792 621193064 /nfs/dbraw/zinc/19/30/64/621193064.db2.gz OBCCAZNGXOHJCU-JTQLQIEISA-N 1 0 313.323 3.304 20 10 DGCDRO C[C@@H]([NH2+]CC1CC=CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858462225 621193922 /nfs/dbraw/zinc/19/39/22/621193922.db2.gz SWOWZWJXQIZTPX-CQSZACIVSA-N 1 0 304.409 3.279 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000858504250 621198922 /nfs/dbraw/zinc/19/89/22/621198922.db2.gz NPTCDNCDXSKDAC-CJNGLKHVSA-N 1 0 302.418 3.055 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000858532280 621202270 /nfs/dbraw/zinc/20/22/70/621202270.db2.gz IMPHVWVDEOOLFM-BEFAXECRSA-N 1 0 301.478 3.420 20 10 DGCDRO C/C=C/C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000858536020 621202789 /nfs/dbraw/zinc/20/27/89/621202789.db2.gz DAJSVQARBPQWCG-MOVJSRMASA-N 1 0 300.196 3.390 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccccc1O ZINC000858535899 621202888 /nfs/dbraw/zinc/20/28/88/621202888.db2.gz DAQBGLBZBJUGMK-DAYGRLMNSA-N 1 0 314.385 3.064 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN(C)CC(F)F)c1O ZINC000858596944 621208595 /nfs/dbraw/zinc/20/85/95/621208595.db2.gz RFWDFELNJCWBCJ-JTQLQIEISA-N 1 0 306.784 3.202 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH+]2CC(C)(CO)C2)cc1 ZINC000839145656 621332320 /nfs/dbraw/zinc/33/23/20/621332320.db2.gz OXENWOQSNKIEJD-UHFFFAOYSA-N 1 0 316.470 3.199 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc(F)c1N1CCOCC1 ZINC000839146189 621333178 /nfs/dbraw/zinc/33/31/78/621333178.db2.gz YVMFOZSYZCRZJC-VBQJREDUSA-N 1 0 322.399 3.080 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187420 621345501 /nfs/dbraw/zinc/34/55/01/621345501.db2.gz IIGRGJVQYIMZKV-MJGOQNOKSA-N 1 0 300.446 3.288 20 10 DGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000840822457 621380311 /nfs/dbraw/zinc/38/03/11/621380311.db2.gz UVWKCZLGDHUKMW-IUPBHXKESA-N 1 0 314.223 3.373 20 10 DGCDRO O=C(C1=CC(=O)CS1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752630561 621402588 /nfs/dbraw/zinc/40/25/88/621402588.db2.gz LRDBBEYCVVTZDN-UHFFFAOYSA-N 1 0 322.474 3.182 20 10 DGCDRO CSCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753546835 621447938 /nfs/dbraw/zinc/44/79/38/621447938.db2.gz OOSOJVOXSVXVBO-UHFFFAOYSA-N 1 0 303.427 3.424 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000753577743 621450300 /nfs/dbraw/zinc/45/03/00/621450300.db2.gz XZLNITILLQAVRV-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO CCOc1ccc(O)c(CN(CCC[NH3+])c2ccccc2F)c1 ZINC000753588996 621451735 /nfs/dbraw/zinc/45/17/35/621451735.db2.gz HLHAXDFOBSWJAL-UHFFFAOYSA-N 1 0 318.392 3.285 20 10 DGCDRO C[C@@H](Cc1ccoc1)[NH2+]Cc1cc(Br)ccc1O ZINC000754048835 621482436 /nfs/dbraw/zinc/48/24/36/621482436.db2.gz YMUAADRSFMPPRV-JTQLQIEISA-N 1 0 310.191 3.469 20 10 DGCDRO COc1cc(C)cc(CN2CCC[N@@H+](C3CCCC3)CC2)c1O ZINC000754742253 621529848 /nfs/dbraw/zinc/52/98/48/621529848.db2.gz USNMWBBUBWYNAW-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO CN(C)c1cc(F)c(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000862227607 621563844 /nfs/dbraw/zinc/56/38/44/621563844.db2.gz FAWQSWRZVJYOPQ-HNNXBMFYSA-N 1 0 323.431 3.091 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c(O)c1 ZINC000862353626 621576964 /nfs/dbraw/zinc/57/69/64/621576964.db2.gz ULSYIECHFSMKMT-UHFFFAOYSA-N 1 0 322.355 3.035 20 10 DGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000862403175 621585600 /nfs/dbraw/zinc/58/56/00/621585600.db2.gz WVANCMQTTVVIRW-LBPRGKRZSA-N 1 0 318.161 3.386 20 10 DGCDRO C[N@H+](CC1=CCSC1)Cc1c(O)cccc1Br ZINC000862417374 621587051 /nfs/dbraw/zinc/58/70/51/621587051.db2.gz ARKZFOFUWILKOX-UHFFFAOYSA-N 1 0 314.248 3.260 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC(F)(F)C1 ZINC000862419235 621587610 /nfs/dbraw/zinc/58/76/10/621587610.db2.gz WRFRUOBKPCHQSN-CYBMUJFWSA-N 1 0 324.415 3.171 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000862435915 621589121 /nfs/dbraw/zinc/58/91/21/621589121.db2.gz PQECZXYTGVSXBN-FQEVSTJZSA-N 1 0 310.441 3.292 20 10 DGCDRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000862464744 621592256 /nfs/dbraw/zinc/59/22/56/621592256.db2.gz HMRHDBFQTHVMSY-KRWDZBQOSA-N 1 0 314.429 3.028 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485141 621594775 /nfs/dbraw/zinc/59/47/75/621594775.db2.gz HSBDAWPSZCKOBZ-WFASDCNBSA-N 1 0 323.408 3.331 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000862489530 621595621 /nfs/dbraw/zinc/59/56/21/621595621.db2.gz OKUZLPAJOLNCHS-CYBMUJFWSA-N 1 0 309.793 3.096 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1O ZINC000862540132 621598478 /nfs/dbraw/zinc/59/84/78/621598478.db2.gz ADBBEKUZTVFZDX-OAHLLOKOSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000756034262 621610761 /nfs/dbraw/zinc/61/07/61/621610761.db2.gz IWYLFEUKTFWYEX-QGZVFWFLSA-N 1 0 309.409 3.277 20 10 DGCDRO CC[C@H](CCO)[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000119237636 621633249 /nfs/dbraw/zinc/63/32/49/621633249.db2.gz XFEPTYVROVVSCI-DGCLKSJQSA-N 1 0 316.239 3.356 20 10 DGCDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000756398072 621635232 /nfs/dbraw/zinc/63/52/32/621635232.db2.gz YRQZGRYUUFOQHJ-CQSZACIVSA-N 1 0 312.413 3.219 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@H]2C)c1 ZINC000756411363 621636462 /nfs/dbraw/zinc/63/64/62/621636462.db2.gz OSKCXZDGPLDQRL-ILXRZTDVSA-N 1 0 306.450 3.314 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC)cc(OC)c2)c1 ZINC000756420103 621637333 /nfs/dbraw/zinc/63/73/33/621637333.db2.gz BGPCQXKBADZBPM-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO Cc1nccn1CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756434009 621638113 /nfs/dbraw/zinc/63/81/13/621638113.db2.gz SWALXXVXFWHSDJ-BXUZGUMPSA-N 1 0 303.381 3.264 20 10 DGCDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756513612 621643878 /nfs/dbraw/zinc/64/38/78/621643878.db2.gz OQNGAEBPJKOKAZ-OTYXRUKQSA-N 1 0 303.381 3.220 20 10 DGCDRO COCCOCCCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756518451 621644504 /nfs/dbraw/zinc/64/45/04/621644504.db2.gz WLGQQXTZQXCNLL-OAHLLOKOSA-N 1 0 321.461 3.365 20 10 DGCDRO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000756549520 621647315 /nfs/dbraw/zinc/64/73/15/621647315.db2.gz FYVQKLKICAKPCH-CYBMUJFWSA-N 1 0 324.440 3.071 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000756556915 621648403 /nfs/dbraw/zinc/64/84/03/621648403.db2.gz XROPAQCIIFPGCY-KBXCAEBGSA-N 1 0 314.473 3.406 20 10 DGCDRO CCc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)[nH]n1 ZINC000756571890 621650076 /nfs/dbraw/zinc/65/00/76/621650076.db2.gz GUSYUFIBAHIRLP-VIFPVBQESA-N 1 0 324.222 3.291 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c2c1c(F)ccc2O ZINC000756588143 621651292 /nfs/dbraw/zinc/65/12/92/621651292.db2.gz FLJJDNGVAYIDMZ-VPOQAHPWSA-N 1 0 313.438 3.216 20 10 DGCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756586718 621651367 /nfs/dbraw/zinc/65/13/67/621651367.db2.gz TXTYRWOYOQLUEI-MEBBXXQBSA-N 1 0 301.365 3.358 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756592791 621651848 /nfs/dbraw/zinc/65/18/48/621651848.db2.gz VLQDOAIAPVBUAT-WBMJQRKESA-N 1 0 323.437 3.317 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCNc2ccccn2)c2c1c(F)ccc2O ZINC000756604879 621652331 /nfs/dbraw/zinc/65/23/31/621652331.db2.gz GVBUVLHJDWCEQP-DGCLKSJQSA-N 1 0 301.365 3.176 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c2c1c(F)ccc2O ZINC000756606994 621652532 /nfs/dbraw/zinc/65/25/32/621652532.db2.gz LPTYKOQGTVYNRC-ZYHUDNBSSA-N 1 0 309.381 3.401 20 10 DGCDRO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756626257 621653559 /nfs/dbraw/zinc/65/35/59/621653559.db2.gz BJUOXVZWHIXJBL-HUUCEWRRSA-N 1 0 302.462 3.263 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2ccccc2C)c1 ZINC000756635835 621654787 /nfs/dbraw/zinc/65/47/87/621654787.db2.gz HRVXHPBRWMEZRH-GUYCJALGSA-N 1 0 301.386 3.093 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756638639 621655062 /nfs/dbraw/zinc/65/50/62/621655062.db2.gz VKEOMNGQKBFDFL-CJNGLKHVSA-N 1 0 303.377 3.440 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000756646223 621655593 /nfs/dbraw/zinc/65/55/93/621655593.db2.gz JQSQWIQDCZLBMY-BIENJYKASA-N 1 0 314.473 3.404 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccco2)c2c1c(F)ccc2O ZINC000756659291 621657261 /nfs/dbraw/zinc/65/72/61/621657261.db2.gz CQHLPTKZDZUUQW-JMSVASOKSA-N 1 0 319.376 3.113 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000756741859 621661730 /nfs/dbraw/zinc/66/17/30/621661730.db2.gz XQDLROJHZYSICU-RFAUZJTJSA-N 1 0 311.303 3.194 20 10 DGCDRO Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)[nH]n1 ZINC000756764331 621662910 /nfs/dbraw/zinc/66/29/10/621662910.db2.gz GGSHYFICUVYOAF-BHDSKKPTSA-N 1 0 303.381 3.332 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c(O)c1C ZINC000756771520 621663262 /nfs/dbraw/zinc/66/32/62/621663262.db2.gz XPELVJRYZAVPQN-MGPUTAFESA-N 1 0 311.425 3.494 20 10 DGCDRO COC[C@]1(C)C[N@H+](Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000863339908 621664408 /nfs/dbraw/zinc/66/44/08/621664408.db2.gz GGWGZPNQKPQLCT-SFHVURJKSA-N 1 0 307.434 3.061 20 10 DGCDRO CO[C@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(F)(F)F ZINC000756835501 621667046 /nfs/dbraw/zinc/66/70/46/621667046.db2.gz NJMZZDJXSVRUQT-MEBBXXQBSA-N 1 0 317.351 3.499 20 10 DGCDRO C[C@H]([NH2+]CCOC1CCC1)c1cc(Br)ccc1O ZINC000756838061 621667072 /nfs/dbraw/zinc/66/70/72/621667072.db2.gz LAFAHZVYZWSWHN-JTQLQIEISA-N 1 0 314.223 3.374 20 10 DGCDRO C[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(F)cc(F)c1O ZINC000756868469 621669243 /nfs/dbraw/zinc/66/92/43/621669243.db2.gz UODGGHZFYZZVDN-SNVBAGLBSA-N 1 0 316.311 3.424 20 10 DGCDRO COc1ccc(O)c([C@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000756867896 621669381 /nfs/dbraw/zinc/66/93/81/621669381.db2.gz NBLUGQXAXGCDSA-LBPRGKRZSA-N 1 0 310.357 3.155 20 10 DGCDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000863542019 621682221 /nfs/dbraw/zinc/68/22/21/621682221.db2.gz DGLSPYLAHTYKNU-OXHMUOHRSA-N 1 0 303.233 3.490 20 10 DGCDRO CN(C)c1ccc(/C=C\CNc2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000863649825 621693164 /nfs/dbraw/zinc/69/31/64/621693164.db2.gz JAHUTLLSMPFWSY-ARJAWSKDSA-N 1 0 323.440 3.360 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000839621344 621701366 /nfs/dbraw/zinc/70/13/66/621701366.db2.gz IWLDWEHLIMJKGV-JYJNAYRXSA-N 1 0 318.461 3.392 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757659433 621732089 /nfs/dbraw/zinc/73/20/89/621732089.db2.gz XUINIBASHUJOIU-ZIAGYGMSSA-N 1 0 321.421 3.216 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@H]2CCCS2)cc1F ZINC000864052303 621732242 /nfs/dbraw/zinc/73/22/42/621732242.db2.gz HHMIRGCWZYWWLK-GFCCVEGCSA-N 1 0 300.418 3.406 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000757865453 621743680 /nfs/dbraw/zinc/74/36/80/621743680.db2.gz GPKIGEWQFRMYRT-NVXWUHKLSA-N 1 0 307.434 3.020 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(c3nccc(C)n3)CC2)c1 ZINC000758245306 621770132 /nfs/dbraw/zinc/77/01/32/621770132.db2.gz GNOFLZWKTORDBI-UHFFFAOYSA-N 1 0 311.429 3.487 20 10 DGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000759157661 621829905 /nfs/dbraw/zinc/82/99/05/621829905.db2.gz GEDGRDNFGYZBCY-SFHVURJKSA-N 1 0 311.429 3.260 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccccc1O ZINC000760040455 621912471 /nfs/dbraw/zinc/91/24/71/621912471.db2.gz KHYRGGQCVNAZLB-SOVGHPHASA-N 1 0 315.388 3.348 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C2(C3CC3)CC2)c1O ZINC000760712743 621960351 /nfs/dbraw/zinc/96/03/51/621960351.db2.gz LAUKMODQXSJVRD-UHFFFAOYSA-N 1 0 312.207 3.196 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@H]2CCSC2)cc1F ZINC000865651577 621971190 /nfs/dbraw/zinc/97/11/90/621971190.db2.gz XCNYJURDRCDDBH-NSHDSACASA-N 1 0 300.418 3.264 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC[C@@H]3CCSC3)CC2)cc1 ZINC000865652021 621971645 /nfs/dbraw/zinc/97/16/45/621971645.db2.gz MDAQASFBYXKZAO-OAHLLOKOSA-N 1 0 320.502 3.397 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC[C@H]3CCSC3)CC2)cc1 ZINC000865652020 621971716 /nfs/dbraw/zinc/97/17/16/621971716.db2.gz MDAQASFBYXKZAO-HNNXBMFYSA-N 1 0 320.502 3.397 20 10 DGCDRO C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760898251 621972496 /nfs/dbraw/zinc/97/24/96/621972496.db2.gz PJSJBKSMIOZLIL-CYBMUJFWSA-N 1 0 321.421 3.073 20 10 DGCDRO OC[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000865663600 621974129 /nfs/dbraw/zinc/97/41/29/621974129.db2.gz UDZWYONVMJVJKX-PUZFROQSSA-N 1 0 322.452 3.110 20 10 DGCDRO Fc1cc(C[NH2+]CC[C@H]2CCCS2)ccc1N1CCOCC1 ZINC000865724903 621983967 /nfs/dbraw/zinc/98/39/67/621983967.db2.gz MRWRBCHNCJVEPX-OAHLLOKOSA-N 1 0 324.465 3.038 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000865726958 621984570 /nfs/dbraw/zinc/98/45/70/621984570.db2.gz XAUOEISDNMORFC-KRWDZBQOSA-N 1 0 305.418 3.230 20 10 DGCDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccccc1O ZINC000865771685 621992262 /nfs/dbraw/zinc/99/22/62/621992262.db2.gz MWALURDFDIUPIW-KRWDZBQOSA-N 1 0 305.805 3.129 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC23CCOCC3)cc1F ZINC000865777179 621993303 /nfs/dbraw/zinc/99/33/03/621993303.db2.gz UMJZYVSWRSLPFE-AWEZNQCLSA-N 1 0 324.415 3.327 20 10 DGCDRO CC(C)n1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000761219752 621995393 /nfs/dbraw/zinc/99/53/93/621995393.db2.gz BYJIQWIGABGZPM-UHFFFAOYSA-N 1 0 316.449 3.041 20 10 DGCDRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000865806954 621998360 /nfs/dbraw/zinc/99/83/60/621998360.db2.gz UZGSCUMUVXNIFQ-MRXNPFEDSA-N 1 0 302.805 3.322 20 10 DGCDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000865876039 622013581 /nfs/dbraw/zinc/01/35/81/622013581.db2.gz HPPUVIRSKRMTMJ-JSGCOSHPSA-N 1 0 309.450 3.337 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(C(F)(F)F)cc1O ZINC000866415911 622114200 /nfs/dbraw/zinc/11/42/00/622114200.db2.gz IDMGZYPYQBRDCG-SUZMYJTESA-N 1 0 303.324 3.223 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)c(O)c1 ZINC000866426809 622116390 /nfs/dbraw/zinc/11/63/90/622116390.db2.gz DWUCGZAOONZHGV-ZFWWWQNUSA-N 1 0 307.434 3.449 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc(Br)ccc1O ZINC000866443407 622119105 /nfs/dbraw/zinc/11/91/05/622119105.db2.gz LXGADMPCTDXAMP-DNJQJEMRSA-N 1 0 314.223 3.371 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c(O)c1 ZINC000866462899 622122422 /nfs/dbraw/zinc/12/24/22/622122422.db2.gz CQJLXCZNBFQQEG-SWHYSGLUSA-N 1 0 305.340 3.299 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c(O)c1 ZINC000866530362 622132673 /nfs/dbraw/zinc/13/26/73/622132673.db2.gz AAPWFSTUYZZIEK-CVEARBPZSA-N 1 0 319.445 3.245 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1 ZINC000763533063 622150585 /nfs/dbraw/zinc/15/05/85/622150585.db2.gz YYADCPKSIFBOFW-RHSMWYFYSA-N 1 0 307.434 3.474 20 10 DGCDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CCOC1 ZINC000763572753 622152950 /nfs/dbraw/zinc/15/29/50/622152950.db2.gz OQPRPSLHZSLHDA-VQIMIIECSA-N 1 0 318.461 3.133 20 10 DGCDRO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868162773 622220764 /nfs/dbraw/zinc/22/07/64/622220764.db2.gz IKXIIBLIQZSYHJ-ZDUSSCGKSA-N 1 0 313.401 3.384 20 10 DGCDRO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)c1ccccc1O ZINC000868162770 622220789 /nfs/dbraw/zinc/22/07/89/622220789.db2.gz IKXIIBLIQZSYHJ-CYBMUJFWSA-N 1 0 313.401 3.384 20 10 DGCDRO C[C@H]([NH2+]C1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765146870 622249699 /nfs/dbraw/zinc/24/96/99/622249699.db2.gz RBAUAIUUPWRHED-ZDUSSCGKSA-N 1 0 324.852 3.006 20 10 DGCDRO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000765403430 622263489 /nfs/dbraw/zinc/26/34/89/622263489.db2.gz QFLXVZGGBBXRRZ-MRXNPFEDSA-N 1 0 309.457 3.419 20 10 DGCDRO C[C@H]([NH2+]CCN1CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765416380 622263979 /nfs/dbraw/zinc/26/39/79/622263979.db2.gz LSSBODJFVJYPSG-INIZCTEOSA-N 1 0 309.457 3.466 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765776977 622286386 /nfs/dbraw/zinc/28/63/86/622286386.db2.gz XZFYCNKPWWERSI-LSDHHAIUSA-N 1 0 307.457 3.417 20 10 DGCDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765937629 622294956 /nfs/dbraw/zinc/29/49/56/622294956.db2.gz OXJUXLYZVKJGGM-QFBILLFUSA-N 1 0 320.477 3.115 20 10 DGCDRO Cc1cc(C)cc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c1 ZINC000766090127 622304937 /nfs/dbraw/zinc/30/49/37/622304937.db2.gz HWRGXTVJHAJQTN-GOSISDBHSA-N 1 0 313.397 3.067 20 10 DGCDRO CC[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000766094436 622305751 /nfs/dbraw/zinc/30/57/51/622305751.db2.gz JUPGMAUMNOARNN-FQEVSTJZSA-N 1 0 324.468 3.323 20 10 DGCDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000766215436 622312727 /nfs/dbraw/zinc/31/27/27/622312727.db2.gz ZYTGEGYGXGMUCE-MAUKXSAKSA-N 1 0 302.462 3.438 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C[C@H]3CCOC3)CC2)cc1 ZINC000766583244 622340431 /nfs/dbraw/zinc/34/04/31/622340431.db2.gz RYHUVCCYLMUPHV-HZPDHXFCSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]3SC)CC2)cc1 ZINC000766600829 622341441 /nfs/dbraw/zinc/34/14/41/622341441.db2.gz GVUSPJLGNWSBLD-SJORKVTESA-N 1 0 306.475 3.148 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1O ZINC000767729309 622419064 /nfs/dbraw/zinc/41/90/64/622419064.db2.gz SYFZIBSGOJIQLI-MRXNPFEDSA-N 1 0 313.397 3.144 20 10 DGCDRO COc1cc(Br)cc(C[N@H+](C)CC2CC2)c1O ZINC000122889942 622426677 /nfs/dbraw/zinc/42/66/77/622426677.db2.gz ROIINHTZLUZQBK-UHFFFAOYSA-N 1 0 300.196 3.005 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CCO)C2CCCC2)cc1F ZINC000768139169 622441533 /nfs/dbraw/zinc/44/15/33/622441533.db2.gz XEBDHVBDRAMYFI-UHFFFAOYSA-N 1 0 308.441 3.409 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)CCOc1cccc(C)c1 ZINC000768213793 622445384 /nfs/dbraw/zinc/44/53/84/622445384.db2.gz SVUNJZCFHKRUDL-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO C[N@H+](Cc1ccc(Cl)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000768209579 622445411 /nfs/dbraw/zinc/44/54/11/622445411.db2.gz ZFNYZNJOTZQIMS-UHFFFAOYSA-N 1 0 320.820 3.402 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000768241126 622447118 /nfs/dbraw/zinc/44/71/18/622447118.db2.gz KBAFEMQOUYSCHZ-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnc3)C1)CCCC2 ZINC000768449424 622456810 /nfs/dbraw/zinc/45/68/10/622456810.db2.gz ZGKONDHLQPWTLW-GOSISDBHSA-N 1 0 311.429 3.305 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CCCCC3)C1)CCCC2 ZINC000768452717 622457408 /nfs/dbraw/zinc/45/74/08/622457408.db2.gz RLVJCYNPMOVTLM-LJQANCHMSA-N 1 0 314.473 3.331 20 10 DGCDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768463620 622458030 /nfs/dbraw/zinc/45/80/30/622458030.db2.gz KNAQKBBHTFTBLD-RHSMWYFYSA-N 1 0 305.418 3.219 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2c(O)cccc2OC)cc(OC)c1 ZINC000768545241 622463789 /nfs/dbraw/zinc/46/37/89/622463789.db2.gz WFULBVCOLFNWOX-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO CCOc1ccc(C[N@H+](CCOC)Cc2ccco2)c(O)c1 ZINC000768586150 622465796 /nfs/dbraw/zinc/46/57/96/622465796.db2.gz IYDZWZUITFVFOD-UHFFFAOYSA-N 1 0 305.374 3.033 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)CCCOc1ccccc1 ZINC000768824517 622479470 /nfs/dbraw/zinc/47/94/70/622479470.db2.gz GUEPFCYGLPFCOS-UHFFFAOYSA-N 1 0 301.386 3.302 20 10 DGCDRO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000768929534 622486040 /nfs/dbraw/zinc/48/60/40/622486040.db2.gz IXRPWMNWGRBSST-LBPRGKRZSA-N 1 0 313.353 3.077 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000768936948 622486745 /nfs/dbraw/zinc/48/67/45/622486745.db2.gz JCMHGXAASWLBDQ-CQSZACIVSA-N 1 0 308.853 3.496 20 10 DGCDRO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000768942393 622487103 /nfs/dbraw/zinc/48/71/03/622487103.db2.gz ZBIXYDMJIMQCTL-KRWDZBQOSA-N 1 0 310.445 3.231 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000768979610 622489779 /nfs/dbraw/zinc/48/97/79/622489779.db2.gz DHXKRYSQZWQYDX-KDURUIRLSA-N 1 0 321.468 3.321 20 10 DGCDRO CC[N@H+](CCC(=O)OC)Cc1cc(-c2ccccc2)ccc1O ZINC000768993350 622490513 /nfs/dbraw/zinc/49/05/13/622490513.db2.gz VCKRWNDQLXKOCZ-UHFFFAOYSA-N 1 0 313.397 3.444 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000769224883 622508953 /nfs/dbraw/zinc/50/89/53/622508953.db2.gz ZXWJNWSBZKEYFD-CABCVRRESA-N 1 0 306.425 3.283 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000769230069 622509039 /nfs/dbraw/zinc/50/90/39/622509039.db2.gz XGUGKBKYZHWWRE-UHFFFAOYSA-N 1 0 305.418 3.324 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000769302214 622515539 /nfs/dbraw/zinc/51/55/39/622515539.db2.gz PQXHCQHCAKNXDB-INIZCTEOSA-N 1 0 307.457 3.198 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)c3ccccc3C2)c1 ZINC000769320705 622517009 /nfs/dbraw/zinc/51/70/09/622517009.db2.gz URPJQRBTJKGLGM-UHFFFAOYSA-N 1 0 312.413 3.243 20 10 DGCDRO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000769326405 622517975 /nfs/dbraw/zinc/51/79/75/622517975.db2.gz LLXVBWJTYVCFMN-QGZVFWFLSA-N 1 0 319.468 3.340 20 10 DGCDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1c(O)cccc1OC ZINC000769326911 622518019 /nfs/dbraw/zinc/51/80/19/622518019.db2.gz QTNFMZMHVPFYKC-CQSZACIVSA-N 1 0 315.413 3.472 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)CCN(C)c2ccccc2)c1 ZINC000769381239 622522731 /nfs/dbraw/zinc/52/27/31/622522731.db2.gz NIRKIPLIVIZTID-UHFFFAOYSA-N 1 0 314.429 3.359 20 10 DGCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000769382052 622523358 /nfs/dbraw/zinc/52/33/58/622523358.db2.gz SYTSMGVDMHBYTM-KRWDZBQOSA-N 1 0 301.478 3.203 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000769399365 622524481 /nfs/dbraw/zinc/52/44/81/622524481.db2.gz PKGVBHPHCURGLH-LJQANCHMSA-N 1 0 313.397 3.148 20 10 DGCDRO CCn1cc(C[N@H+](C)Cc2cc(Br)ccc2O)cn1 ZINC000769428995 622527137 /nfs/dbraw/zinc/52/71/37/622527137.db2.gz XXKGHNJDCMAAFH-UHFFFAOYSA-N 1 0 324.222 3.003 20 10 DGCDRO COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3cn[nH]c3)c2C)cc1 ZINC000769425379 622527328 /nfs/dbraw/zinc/52/73/28/622527328.db2.gz PGCWKMINJIIJMF-UHFFFAOYSA-N 1 0 324.428 3.458 20 10 DGCDRO C[C@@H]1SCC[N@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000769447016 622528496 /nfs/dbraw/zinc/52/84/96/622528496.db2.gz RLYCYXKKQUFTJO-UWVGGRQHSA-N 1 0 316.264 3.481 20 10 DGCDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000769464416 622530008 /nfs/dbraw/zinc/53/00/08/622530008.db2.gz WNLPJKGZUPCTQP-CQSZACIVSA-N 1 0 313.397 3.492 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000769478443 622531913 /nfs/dbraw/zinc/53/19/13/622531913.db2.gz DBILOLXFSVPLOB-UHFFFAOYSA-N 1 0 306.413 3.228 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000769483264 622532215 /nfs/dbraw/zinc/53/22/15/622532215.db2.gz HHPMGUIMRWZUOL-GOSISDBHSA-N 1 0 305.418 3.184 20 10 DGCDRO CN(C)c1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000769482942 622532414 /nfs/dbraw/zinc/53/24/14/622532414.db2.gz LSLZIQLOPWTGAU-INIZCTEOSA-N 1 0 307.457 3.198 20 10 DGCDRO CC[N@@H+](Cc1c(O)cccc1OC)C[C@@H](O)c1ccc(C)cc1 ZINC000769481489 622532512 /nfs/dbraw/zinc/53/25/12/622532512.db2.gz BGRSIPXULSFAFA-GOSISDBHSA-N 1 0 315.413 3.265 20 10 DGCDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000769494942 622533853 /nfs/dbraw/zinc/53/38/53/622533853.db2.gz CBEKDRZYYLBGND-CVEARBPZSA-N 1 0 324.852 3.267 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC(C3CCOCC3)CC2)c(O)c1 ZINC000769504707 622534932 /nfs/dbraw/zinc/53/49/32/622534932.db2.gz YFZWTXPZCNISDE-UHFFFAOYSA-N 1 0 319.445 3.430 20 10 DGCDRO CCOc1cccc(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000769548146 622539615 /nfs/dbraw/zinc/53/96/15/622539615.db2.gz FZGUDFPRWFUSQI-YJBOKZPZSA-N 1 0 307.434 3.426 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000769787708 622560022 /nfs/dbraw/zinc/56/00/22/622560022.db2.gz RQFXAJHOFSMLQI-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1F ZINC000770301129 622619572 /nfs/dbraw/zinc/61/95/72/622619572.db2.gz MIDJOZCVLBBZBO-HNNXBMFYSA-N 1 0 304.409 3.313 20 10 DGCDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC000770504530 622640309 /nfs/dbraw/zinc/64/03/09/622640309.db2.gz IJPPRGIEEZUEDH-HIFRSBDPSA-N 1 0 320.433 3.270 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)ccc1OC ZINC000770738326 622666013 /nfs/dbraw/zinc/66/60/13/622666013.db2.gz HBJWYSYFFCXQCU-HOCLYGCPSA-N 1 0 307.434 3.136 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(N(C)C)cc1 ZINC000123894943 622747979 /nfs/dbraw/zinc/74/79/79/622747979.db2.gz QZRRAOBLIYCMKJ-PBHICJAKSA-N 1 0 301.434 3.299 20 10 DGCDRO CC[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000872115556 622816842 /nfs/dbraw/zinc/81/68/42/622816842.db2.gz IFLDHWGUXKLVCV-WBVHZDCISA-N 1 0 304.434 3.137 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000771928035 622817404 /nfs/dbraw/zinc/81/74/04/622817404.db2.gz LEFLTLDGMDRSHD-UHFFFAOYSA-N 1 0 316.832 3.363 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872254534 622867944 /nfs/dbraw/zinc/86/79/44/622867944.db2.gz HDASWCASLXRNRT-MRXNPFEDSA-N 1 0 307.340 3.401 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC1CCCCC1 ZINC000772798100 622941321 /nfs/dbraw/zinc/94/13/21/622941321.db2.gz OEQLWEPCEDZMCV-HNNXBMFYSA-N 1 0 318.461 3.442 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCSCC3)CC1)OCO2 ZINC000872645705 622947531 /nfs/dbraw/zinc/94/75/31/622947531.db2.gz WXFMFBNMCCWBRN-UHFFFAOYSA-N 1 0 321.442 3.230 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000772957888 622957830 /nfs/dbraw/zinc/95/78/30/622957830.db2.gz INVGFRKNQSUHRR-MRXNPFEDSA-N 1 0 305.466 3.098 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772979830 622959914 /nfs/dbraw/zinc/95/99/14/622959914.db2.gz XABGCZXBIISTJB-DZGCQCFKSA-N 1 0 306.425 3.359 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000773069331 622977378 /nfs/dbraw/zinc/97/73/78/622977378.db2.gz AZQRGAYPJRXSKZ-CQSZACIVSA-N 1 0 308.441 3.485 20 10 DGCDRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000773084608 622981290 /nfs/dbraw/zinc/98/12/90/622981290.db2.gz URQGKWXZVDTBLM-VDZJLULYSA-N 1 0 318.461 3.131 20 10 DGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000773325554 623012699 /nfs/dbraw/zinc/01/26/99/623012699.db2.gz HTJFIHTWWSGYKY-IBGZPJMESA-N 1 0 319.445 3.420 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cccnc2)cc1Cn1cccn1 ZINC000873009246 623016486 /nfs/dbraw/zinc/01/64/86/623016486.db2.gz ZXSJQOLSXSDHFV-HNNXBMFYSA-N 1 0 322.412 3.186 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000773402827 623022823 /nfs/dbraw/zinc/02/28/23/623022823.db2.gz UDIPOUPVONBSPW-VLXJIEOASA-N 1 0 313.397 3.444 20 10 DGCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000773412992 623024467 /nfs/dbraw/zinc/02/44/67/623024467.db2.gz JFDBFWGITDPGJD-ZDUSSCGKSA-N 1 0 318.461 3.054 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2ccc3nccnc3c2)n1 ZINC000873054204 623026310 /nfs/dbraw/zinc/02/63/10/623026310.db2.gz NNFFNFRTVNKNCA-UHFFFAOYSA-N 1 0 316.455 3.358 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCCO[C@@H]2CCOC2)cc1C ZINC000873075000 623031153 /nfs/dbraw/zinc/03/11/53/623031153.db2.gz PLZYOMXYZYHCPD-QGZVFWFLSA-N 1 0 307.434 3.069 20 10 DGCDRO COc1ccc(C[NH2+]C23CCC(CC2)C3)cc1Cn1cccn1 ZINC000873105328 623036483 /nfs/dbraw/zinc/03/64/83/623036483.db2.gz ZHHQXJWYKSFLQR-UHFFFAOYSA-N 1 0 311.429 3.362 20 10 DGCDRO CCSCCC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873120970 623040051 /nfs/dbraw/zinc/04/00/51/623040051.db2.gz BXZHJFFHJPKGKA-UHFFFAOYSA-N 1 0 319.474 3.173 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)cc1C ZINC000873129013 623043162 /nfs/dbraw/zinc/04/31/62/623043162.db2.gz DRDXRWNENOPMFR-HNNXBMFYSA-N 1 0 301.434 3.238 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](COC)C2CCOCC2)cc1C ZINC000873134143 623044820 /nfs/dbraw/zinc/04/48/20/623044820.db2.gz KNGVYAATSZBMQF-SFHVURJKSA-N 1 0 321.461 3.315 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C3(C)CC(F)(F)C3)CC2)cc1 ZINC000873197906 623072053 /nfs/dbraw/zinc/07/20/53/623072053.db2.gz VQKTVLMHQBALTA-UHFFFAOYSA-N 1 0 310.388 3.441 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000773811172 623074175 /nfs/dbraw/zinc/07/41/75/623074175.db2.gz WWOGFCBDMXVSPC-ROUUACIJSA-N 1 0 302.462 3.391 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](CCOC)Cc2cccnc2)cc1 ZINC000773870097 623081652 /nfs/dbraw/zinc/08/16/52/623081652.db2.gz WKMGAMUVHVCWIZ-UHFFFAOYSA-N 1 0 313.445 3.186 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774484873 623150958 /nfs/dbraw/zinc/15/09/58/623150958.db2.gz SXAWVHWDDSXCFS-KKUMJFAQSA-N 1 0 305.466 3.097 20 10 DGCDRO COc1c([O-])c(C[N@@H+]2CCC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000774834020 623197190 /nfs/dbraw/zinc/19/71/90/623197190.db2.gz SDIHEERCOJXKPC-ZDUSSCGKSA-N 1 0 308.378 3.320 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCC[C@H]2OC)ccc1OC ZINC000774831743 623197322 /nfs/dbraw/zinc/19/73/22/623197322.db2.gz YGQRTXAENZWZCU-NVXWUHKLSA-N 1 0 307.434 3.136 20 10 DGCDRO CCO[C@@H](C[NH2+]Cc1c(O)cccc1OC)c1ccccc1 ZINC000775029216 623218094 /nfs/dbraw/zinc/21/80/94/623218094.db2.gz XXGLQVBRJLKIBK-SFHVURJKSA-N 1 0 301.386 3.268 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000775143836 623234976 /nfs/dbraw/zinc/23/49/76/623234976.db2.gz CDRXSVDZGRJDNT-NOZJJQNGSA-N 1 0 323.742 3.181 20 10 DGCDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000775184967 623239430 /nfs/dbraw/zinc/23/94/30/623239430.db2.gz UFEKRBRQSXQSLY-GOSISDBHSA-N 1 0 321.417 3.099 20 10 DGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC000775374139 623261346 /nfs/dbraw/zinc/26/13/46/623261346.db2.gz HNAUPWNBOXHWIX-SFHVURJKSA-N 1 0 307.434 3.461 20 10 DGCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775410244 623271407 /nfs/dbraw/zinc/27/14/07/623271407.db2.gz KLCGYIYWUGTZDX-KGLIPLIRSA-N 1 0 305.466 3.097 20 10 DGCDRO CC[C@H]([NH2+]CC(=O)N(CC)c1ccccc1)c1ccccc1O ZINC000775412781 623271718 /nfs/dbraw/zinc/27/17/18/623271718.db2.gz QIRZLYGOIKCNEL-KRWDZBQOSA-N 1 0 312.413 3.486 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775488554 623279827 /nfs/dbraw/zinc/27/98/27/623279827.db2.gz IXKGPXXSJCDUEZ-FZMZJTMJSA-N 1 0 312.841 3.391 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(Cl)ccc1O ZINC000775513251 623282595 /nfs/dbraw/zinc/28/25/95/623282595.db2.gz OXYMZPRANKHPLS-GXTWGEPZSA-N 1 0 305.809 3.367 20 10 DGCDRO CC[C@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1ccccc1O ZINC000775524438 623283856 /nfs/dbraw/zinc/28/38/56/623283856.db2.gz QGSDQUUKPXTOJG-RDJZCZTQSA-N 1 0 304.434 3.080 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)CC[S@@](C)=O)c1cc(Cl)ccc1O ZINC000775527828 623284872 /nfs/dbraw/zinc/28/48/72/623284872.db2.gz UQUBYWKNHQHMOK-WSHAHDTKSA-N 1 0 303.855 3.243 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Cl)ccc1O ZINC000775531436 623285837 /nfs/dbraw/zinc/28/58/37/623285837.db2.gz CSZUUYAKDNMLII-CQSZACIVSA-N 1 0 320.824 3.143 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC)C1)c1ccccc1O ZINC000775579981 623292769 /nfs/dbraw/zinc/29/27/69/623292769.db2.gz RQHHXCHVSCQGFJ-FMKPAKJESA-N 1 0 320.433 3.300 20 10 DGCDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000775580871 623293471 /nfs/dbraw/zinc/29/34/71/623293471.db2.gz MZWOIHPGDKBKAJ-ILXRZTDVSA-N 1 0 320.433 3.218 20 10 DGCDRO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000125086083 623309712 /nfs/dbraw/zinc/30/97/12/623309712.db2.gz HMJQXMNJHDKZDO-BETUJISGSA-N 1 0 307.434 3.308 20 10 DGCDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775831440 623338366 /nfs/dbraw/zinc/33/83/66/623338366.db2.gz SCJOVOUYVWQZBW-CQSZACIVSA-N 1 0 312.413 3.390 20 10 DGCDRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834186 623339602 /nfs/dbraw/zinc/33/96/02/623339602.db2.gz LFXOAGOETXMLMT-WBVHZDCISA-N 1 0 317.477 3.194 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)ccc1N(C)C ZINC000776165480 623387384 /nfs/dbraw/zinc/38/73/84/623387384.db2.gz RCMWUXTUHJCPNL-NXHRZFHOSA-N 1 0 302.462 3.354 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccc1N(C)C ZINC000776165479 623387508 /nfs/dbraw/zinc/38/75/08/623387508.db2.gz RCMWUXTUHJCPNL-KBAYOESNSA-N 1 0 302.462 3.354 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000776231153 623400272 /nfs/dbraw/zinc/40/02/72/623400272.db2.gz NLTBDZFXMXAPHR-VLXJIEOASA-N 1 0 313.397 3.444 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000776234561 623400343 /nfs/dbraw/zinc/40/03/43/623400343.db2.gz SAZMQSUGSWZLPZ-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000776231154 623400369 /nfs/dbraw/zinc/40/03/69/623400369.db2.gz NLTBDZFXMXAPHR-VPZZIHKRSA-N 1 0 313.397 3.444 20 10 DGCDRO CCCCCn1cc(C[NH2+]Cc2cc(OC)ccc2O)c(C)n1 ZINC000776254468 623401649 /nfs/dbraw/zinc/40/16/49/623401649.db2.gz WUQOMCKWAFGPCY-UHFFFAOYSA-N 1 0 317.433 3.386 20 10 DGCDRO COc1cc(O)c(C[NH2+]C2CCC(F)(F)CC2)cc1OC ZINC000776254078 623401976 /nfs/dbraw/zinc/40/19/76/623401976.db2.gz RMXIQUUZIRZREG-UHFFFAOYSA-N 1 0 301.333 3.077 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000776693102 623452542 /nfs/dbraw/zinc/45/25/42/623452542.db2.gz SJTBYFVMHBVXIG-HXUWFJFHSA-N 1 0 310.441 3.196 20 10 DGCDRO COc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000776773616 623461320 /nfs/dbraw/zinc/46/13/20/623461320.db2.gz UDIPIRLXDZGEQS-QGZVFWFLSA-N 1 0 319.445 3.309 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1)CCC2 ZINC000776772621 623461425 /nfs/dbraw/zinc/46/14/25/623461425.db2.gz QBXWFJMIKNNQEE-GOSISDBHSA-N 1 0 301.430 3.272 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(C)ccc2O)C1 ZINC000776806066 623465961 /nfs/dbraw/zinc/46/59/61/623465961.db2.gz BPAMQSHTLTYZQH-GJZGRUSLSA-N 1 0 320.433 3.047 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000777223430 623506986 /nfs/dbraw/zinc/50/69/86/623506986.db2.gz YPFPFNFGFVBPGV-IBGZPJMESA-N 1 0 300.446 3.288 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H](C(C)C)C3)c2c1 ZINC000777969549 623593424 /nfs/dbraw/zinc/59/34/24/623593424.db2.gz RWVGKFBZORIUBF-IBGZPJMESA-N 1 0 315.413 3.411 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cc(F)ccc2OC)c(O)c1 ZINC000778186209 623622340 /nfs/dbraw/zinc/62/23/40/623622340.db2.gz QJMYLSBKAKSGPO-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO CCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CC1 ZINC000876510149 623630036 /nfs/dbraw/zinc/63/00/36/623630036.db2.gz KLNLJZHAQQIDOS-UHFFFAOYSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(O)c1 ZINC000876552338 623641469 /nfs/dbraw/zinc/64/14/69/623641469.db2.gz RJAHELBWDCBQMD-INIZCTEOSA-N 1 0 322.412 3.123 20 10 DGCDRO CCCCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876578235 623649583 /nfs/dbraw/zinc/64/95/83/623649583.db2.gz GCDQUXUBPTUCNO-UHFFFAOYSA-N 1 0 318.461 3.219 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c(O)c1 ZINC000876611799 623659580 /nfs/dbraw/zinc/65/95/80/623659580.db2.gz RYOYCFPVECWLCJ-ZDUSSCGKSA-N 1 0 303.324 3.244 20 10 DGCDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876753209 623697874 /nfs/dbraw/zinc/69/78/74/623697874.db2.gz CHMZEPNWMRYHAB-OAHLLOKOSA-N 1 0 322.518 3.221 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc2ccccc2c1O ZINC000779061701 623725805 /nfs/dbraw/zinc/72/58/05/623725805.db2.gz MKQKFBRFEWURGK-DZGCQCFKSA-N 1 0 307.397 3.408 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(Cl)ccc1O ZINC000779067357 623726760 /nfs/dbraw/zinc/72/67/60/623726760.db2.gz VZBNVDPYQWIEHB-OCCSQVGLSA-N 1 0 305.809 3.298 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000779093932 623729027 /nfs/dbraw/zinc/72/90/27/623729027.db2.gz MSOUNLKGMNHUOP-UHFFFAOYSA-N 1 0 301.317 3.039 20 10 DGCDRO COc1cccc(CN(C)C(C)(C)C[NH+]2CCCCCC2)c1O ZINC000779192455 623740054 /nfs/dbraw/zinc/74/00/54/623740054.db2.gz PYKFCLLAZAHKPX-UHFFFAOYSA-N 1 0 320.477 3.487 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000876929516 623746896 /nfs/dbraw/zinc/74/68/96/623746896.db2.gz ZMFOJLHNADFFQM-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000779347638 623761706 /nfs/dbraw/zinc/76/17/06/623761706.db2.gz LVSUXMICZSYHDC-CQSZACIVSA-N 1 0 306.450 3.271 20 10 DGCDRO Cc1nc2ccccc2nc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876995953 623762536 /nfs/dbraw/zinc/76/25/36/623762536.db2.gz KXRKRRSWLDZNIS-UHFFFAOYSA-N 1 0 305.381 3.163 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(OC)s2)cc1F ZINC000877026524 623768967 /nfs/dbraw/zinc/76/89/67/623768967.db2.gz BSTOCEYNQMFDCP-UHFFFAOYSA-N 1 0 323.437 3.427 20 10 DGCDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1c(C)cccc1O ZINC000877073507 623784280 /nfs/dbraw/zinc/78/42/80/623784280.db2.gz LXYUKNWGPLPMCL-AWEZNQCLSA-N 1 0 301.386 3.266 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c(O)c1 ZINC000877117314 623795191 /nfs/dbraw/zinc/79/51/91/623795191.db2.gz SYGAVDSXCIOHPA-OAHLLOKOSA-N 1 0 307.459 3.235 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccnc1OCC(F)F ZINC000877123430 623795877 /nfs/dbraw/zinc/79/58/77/623795877.db2.gz KDOCNVPSWXAANK-UHFFFAOYSA-N 1 0 308.328 3.029 20 10 DGCDRO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877142601 623804836 /nfs/dbraw/zinc/80/48/36/623804836.db2.gz UCYXBXTZTHWAJA-LBPRGKRZSA-N 1 0 300.393 3.271 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c(O)c1 ZINC000877420105 623875556 /nfs/dbraw/zinc/87/55/56/623875556.db2.gz MFMAHNRIVNTGMY-UHFFFAOYSA-N 1 0 301.308 3.044 20 10 DGCDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877501193 623914417 /nfs/dbraw/zinc/91/44/17/623914417.db2.gz MPZGSZZWERLCGF-NVXWUHKLSA-N 1 0 302.462 3.174 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c(O)c1 ZINC000877505866 623915960 /nfs/dbraw/zinc/91/59/60/623915960.db2.gz JFEVUZFGWMRTIJ-CYBMUJFWSA-N 1 0 308.422 3.094 20 10 DGCDRO Cc1cccc(O)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000877514531 623918554 /nfs/dbraw/zinc/91/85/54/623918554.db2.gz MPJVEGQHIPBBGQ-UHFFFAOYSA-N 1 0 300.358 3.283 20 10 DGCDRO CCOc1cccc(F)c1C[NH2+]Cc1cccc(OC)c1O ZINC000877525997 623924992 /nfs/dbraw/zinc/92/49/92/623924992.db2.gz NYTKOFVYHBWIIV-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO Cc1nocc1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000877564096 623943769 /nfs/dbraw/zinc/94/37/69/623943769.db2.gz YIJZEMZXIQWWMM-UHFFFAOYSA-N 1 0 311.179 3.049 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCC3(F)F)cc2)CC1 ZINC000877566410 623944824 /nfs/dbraw/zinc/94/48/24/623944824.db2.gz YMCQKGORSXGPAJ-OAHLLOKOSA-N 1 0 324.415 3.173 20 10 DGCDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877568866 623946139 /nfs/dbraw/zinc/94/61/39/623946139.db2.gz CEHALDNOSZJRRI-LPHOPBHVSA-N 1 0 302.462 3.029 20 10 DGCDRO OC1CCN(c2ccc(CNc3ccc4c([nH+]3)CCC4)cc2)CC1 ZINC000877572883 623948724 /nfs/dbraw/zinc/94/87/24/623948724.db2.gz SJGYVUAUUMTQNP-UHFFFAOYSA-N 1 0 323.440 3.144 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000877602946 623958993 /nfs/dbraw/zinc/95/89/93/623958993.db2.gz AJSYMOAWVCFUGJ-KGLIPLIRSA-N 1 0 322.449 3.482 20 10 DGCDRO CCOC(=O)N1CCC(C)(C[NH2+]Cc2cc(C)ccc2O)CC1 ZINC000877652932 623978827 /nfs/dbraw/zinc/97/88/27/623978827.db2.gz QRSSDMRPCAUYSN-UHFFFAOYSA-N 1 0 320.433 3.049 20 10 DGCDRO C[NH+]1CCC(C)(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000780780792 623983048 /nfs/dbraw/zinc/98/30/48/623983048.db2.gz AHANTWVGMVMEHM-UHFFFAOYSA-N 1 0 300.805 3.006 20 10 DGCDRO CCC1([NH+]2CCCC2)CCN(Cc2cccc(OC)c2O)CC1 ZINC000877674216 623987131 /nfs/dbraw/zinc/98/71/31/623987131.db2.gz OCVAQTUFIVPNEY-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CCC1([NH+]2CCCC2)CCN(Cc2cc(F)ccc2O)CC1 ZINC000877674191 623987360 /nfs/dbraw/zinc/98/73/60/623987360.db2.gz NVEPEMMUXAJWIC-UHFFFAOYSA-N 1 0 306.425 3.372 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@]34C[C@@H]3CCCC4)cc2)CC1 ZINC000877686722 623992556 /nfs/dbraw/zinc/99/25/56/623992556.db2.gz VMLMGWBLTFAPIX-LPHOPBHVSA-N 1 0 300.446 3.070 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CN2CCC1CC2 ZINC000877706956 623999806 /nfs/dbraw/zinc/99/98/06/623999806.db2.gz VRBCZBCIRLWEGD-HXUWFJFHSA-N 1 0 313.489 3.203 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C[C@H]1C ZINC000877757054 624023379 /nfs/dbraw/zinc/02/33/79/624023379.db2.gz CZOWFVNGMCHQJQ-CBBWQLFWSA-N 1 0 305.418 3.411 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ccnn2C)c1O ZINC000877762685 624025883 /nfs/dbraw/zinc/02/58/83/624025883.db2.gz IRQNRZVGVTUDCT-JTQLQIEISA-N 1 0 324.222 3.047 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ncc(Br)s2)c(O)c1 ZINC000877766458 624027939 /nfs/dbraw/zinc/02/79/39/624027939.db2.gz BVUCNSVBUCENJH-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO Cc1noc(C2(C)CC[NH+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000781151133 624030347 /nfs/dbraw/zinc/03/03/47/624030347.db2.gz YBZHGOSFQXAHRJ-UHFFFAOYSA-N 1 0 315.417 3.254 20 10 DGCDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000877777980 624033384 /nfs/dbraw/zinc/03/33/84/624033384.db2.gz HZESOYBDNAYMRR-GXFFZTMASA-N 1 0 316.239 3.102 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000877820899 624051371 /nfs/dbraw/zinc/05/13/71/624051371.db2.gz KAYVMGMYPOGBIH-OAHLLOKOSA-N 1 0 316.367 3.214 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)cc1OC ZINC000781585831 624098788 /nfs/dbraw/zinc/09/87/88/624098788.db2.gz IRBAAXNLECOQIY-SCLBCKFNSA-N 1 0 305.418 3.422 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCCOC[C@H]2C)c1 ZINC000781914739 624170412 /nfs/dbraw/zinc/17/04/12/624170412.db2.gz ZHWWCGRPKKCQFR-LLVKDONJSA-N 1 0 314.223 3.074 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000878354272 624254117 /nfs/dbraw/zinc/25/41/17/624254117.db2.gz HSCJXBNLWQEAPG-LSDHHAIUSA-N 1 0 305.418 3.019 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c1 ZINC000127316959 624351270 /nfs/dbraw/zinc/35/12/70/624351270.db2.gz WEUDAHKDROREHN-UHFFFAOYSA-N 1 0 310.441 3.409 20 10 DGCDRO Oc1ccccc1C[N@H+](CC[C@H]1CCOC1)Cc1ccco1 ZINC000783498970 624359352 /nfs/dbraw/zinc/35/93/52/624359352.db2.gz YNXBWPZGMIFVMI-HNNXBMFYSA-N 1 0 301.386 3.414 20 10 DGCDRO C[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC000783508404 624360096 /nfs/dbraw/zinc/36/00/96/624360096.db2.gz KDYJWVNREAKCAZ-HNNXBMFYSA-N 1 0 307.397 3.471 20 10 DGCDRO CN(C)C1(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)CCC1 ZINC000783548243 624364430 /nfs/dbraw/zinc/36/44/30/624364430.db2.gz GUUOBLRYUQHBBI-UHFFFAOYSA-N 1 0 302.462 3.187 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000784625768 624560353 /nfs/dbraw/zinc/56/03/53/624560353.db2.gz NZVBCRJRYZDTKL-INIZCTEOSA-N 1 0 303.402 3.334 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCC1CCCCC1)c1ccccc1O ZINC000879648793 624622867 /nfs/dbraw/zinc/62/28/67/624622867.db2.gz DXALRWGLFGHWFD-KGLIPLIRSA-N 1 0 304.434 3.128 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000879651346 624624105 /nfs/dbraw/zinc/62/41/05/624624105.db2.gz RRZVNLWXYBDNPS-OFQRWUPVSA-N 1 0 304.434 3.080 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000879653372 624626039 /nfs/dbraw/zinc/62/60/39/624626039.db2.gz PITCEMCBUKOSQC-YXWQFLTLSA-N 1 0 304.434 3.126 20 10 DGCDRO CCN(C(=O)C[NH2+][C@@H](C)c1ccccc1O)C1CCCCC1 ZINC000879652313 624626084 /nfs/dbraw/zinc/62/60/84/624626084.db2.gz BXLXLBZSUMNEQJ-AWEZNQCLSA-N 1 0 304.434 3.224 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCn3nccc32)c1O ZINC000879786145 624675999 /nfs/dbraw/zinc/67/59/99/624675999.db2.gz DBGOAOKLAMTTBN-AWEZNQCLSA-N 1 0 319.792 3.069 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)cc1 ZINC000785764754 624729210 /nfs/dbraw/zinc/72/92/10/624729210.db2.gz GJGNRYRBZVRVFA-UHFFFAOYSA-N 1 0 310.445 3.224 20 10 DGCDRO C[N@@H+]1CCC[C@H]1CCN(Cc1ccco1)Cc1ccccc1O ZINC000128379510 624939110 /nfs/dbraw/zinc/93/91/10/624939110.db2.gz IYRJCENYOGDHKR-KRWDZBQOSA-N 1 0 314.429 3.472 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ncnn2-c2ccccc2)c(O)c1 ZINC000786938023 624965773 /nfs/dbraw/zinc/96/57/73/624965773.db2.gz DNBASLBZGRKAOE-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO CO[C@@H](CC[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000786953861 624967033 /nfs/dbraw/zinc/96/70/33/624967033.db2.gz NPYOILYRWTZALZ-RISCZKNCSA-N 1 0 304.356 3.371 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCC(C)(C)OC)CC2)cc1 ZINC000787182382 624985910 /nfs/dbraw/zinc/98/59/10/624985910.db2.gz FXGJBCIJGZMCFO-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000787290559 624997347 /nfs/dbraw/zinc/99/73/47/624997347.db2.gz OHAZIHYFHLFZQH-AWEZNQCLSA-N 1 0 320.339 3.109 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)cc1F ZINC000787420453 625008557 /nfs/dbraw/zinc/00/85/57/625008557.db2.gz HGQURIYVOLZGKA-HIFRSBDPSA-N 1 0 322.424 3.055 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccn(CC)c1=O)c1ccc(N(C)C)cc1 ZINC000788607113 625227230 /nfs/dbraw/zinc/22/72/30/625227230.db2.gz IACOAWKLOSCQOX-SFHVURJKSA-N 1 0 313.445 3.175 20 10 DGCDRO Cc1c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000791000380 625734551 /nfs/dbraw/zinc/73/45/51/625734551.db2.gz SKFRGPMKSWXHPL-UHFFFAOYSA-N 1 0 317.364 3.398 20 10 DGCDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000808421350 625758857 /nfs/dbraw/zinc/75/88/57/625758857.db2.gz DFVIAIRJXZBUPK-ZDUSSCGKSA-N 1 0 318.383 3.126 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CC3(OC)CCCC3)CC2)cc1 ZINC000792167530 625918834 /nfs/dbraw/zinc/91/88/34/625918834.db2.gz VZJDWZDZDZZVEW-UHFFFAOYSA-N 1 0 318.461 3.167 20 10 DGCDRO CCOc1ccc(C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)c(O)c1 ZINC000792192994 625922657 /nfs/dbraw/zinc/92/26/57/625922657.db2.gz PGBPNIHGGHHJQR-ZBFHGGJFSA-N 1 0 307.434 3.428 20 10 DGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])CCO2 ZINC000883089958 625923670 /nfs/dbraw/zinc/92/36/70/625923670.db2.gz YHXZIKPGVNYPKU-HNNXBMFYSA-N 1 0 321.323 3.292 20 10 DGCDRO C[C@@H](O)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC000883157495 625947030 /nfs/dbraw/zinc/94/70/30/625947030.db2.gz AEBYVXNUVURICO-PSLIRLAXSA-N 1 0 311.303 3.021 20 10 DGCDRO COC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796255075 626033060 /nfs/dbraw/zinc/03/30/60/626033060.db2.gz PMKVFGMJCCHOBI-MRXNPFEDSA-N 1 0 310.441 3.374 20 10 DGCDRO CC[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796311477 626037577 /nfs/dbraw/zinc/03/75/77/626037577.db2.gz GVVASGXJKFICHJ-FQEVSTJZSA-N 1 0 324.468 3.500 20 10 DGCDRO OCC1([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCC1 ZINC000796319360 626037823 /nfs/dbraw/zinc/03/78/23/626037823.db2.gz KOHQVQOKLUUMMI-UHFFFAOYSA-N 1 0 322.452 3.254 20 10 DGCDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796343075 626040629 /nfs/dbraw/zinc/04/06/29/626040629.db2.gz PONFNXVEQKXDCD-DLBZAZTESA-N 1 0 324.468 3.498 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)c1 ZINC000796492870 626056142 /nfs/dbraw/zinc/05/61/42/626056142.db2.gz YUJSNUQILYSAJE-AUUYWEPGSA-N 1 0 315.413 3.311 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CC[C@H]2C)c1O ZINC000796525189 626058938 /nfs/dbraw/zinc/05/89/38/626058938.db2.gz BRZJMUSOTDHQEM-KCJUWKMLSA-N 1 0 300.196 3.051 20 10 DGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000796702979 626074527 /nfs/dbraw/zinc/07/45/27/626074527.db2.gz OIKDZPVHOHWBCL-VQTJNVASSA-N 1 0 316.489 3.420 20 10 DGCDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000796702980 626074584 /nfs/dbraw/zinc/07/45/84/626074584.db2.gz OIKDZPVHOHWBCL-WOJBJXKFSA-N 1 0 316.489 3.420 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccccc1O ZINC000797132153 626116956 /nfs/dbraw/zinc/11/69/56/626116956.db2.gz KQPPVOSFQDDIGI-YEJXKQKISA-N 1 0 303.427 3.122 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000798003844 626188786 /nfs/dbraw/zinc/18/87/86/626188786.db2.gz IPZDPGPRTCEJIA-RTBURBONSA-N 1 0 300.446 3.442 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)CC2CCCC2)c1 ZINC000798503224 626221661 /nfs/dbraw/zinc/22/16/61/626221661.db2.gz DAMFOKLUFFAJNL-HNNXBMFYSA-N 1 0 307.434 3.069 20 10 DGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000799352653 626294851 /nfs/dbraw/zinc/29/48/51/626294851.db2.gz ZXRFQCOUFAVDBS-JSGCOSHPSA-N 1 0 314.223 3.202 20 10 DGCDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000800475565 626363643 /nfs/dbraw/zinc/36/36/43/626363643.db2.gz YJWIVVXPSQNMAB-AEFFLSMTSA-N 1 0 302.462 3.364 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000800968932 626387239 /nfs/dbraw/zinc/38/72/39/626387239.db2.gz GLIZXYFRBNUQKD-GDIGMMSISA-N 1 0 300.446 3.442 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)C[C@@](C)(O)C(F)(F)F ZINC000801596207 626411310 /nfs/dbraw/zinc/41/13/10/626411310.db2.gz STCTWTBMWYZNGM-CQSZACIVSA-N 1 0 305.340 3.308 20 10 DGCDRO CCCC[N@H+](CC(=O)NC(C)(C)CC)Cc1ccccc1O ZINC000801597764 626411934 /nfs/dbraw/zinc/41/19/34/626411934.db2.gz OEJLRKNUHZDHIN-UHFFFAOYSA-N 1 0 306.450 3.299 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883246853 626622338 /nfs/dbraw/zinc/62/23/38/626622338.db2.gz UBVAQEIQVJUHOM-CABCVRRESA-N 1 0 304.409 3.279 20 10 DGCDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000883315700 626644179 /nfs/dbraw/zinc/64/41/79/626644179.db2.gz VGNPRZUFBONJKS-BJHJDKERSA-N 1 0 316.367 3.286 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1c3ccccc3CC[C@H]1F)OCO2 ZINC000883383215 626667974 /nfs/dbraw/zinc/66/79/74/626667974.db2.gz VOQWRYGWIPGPJG-RDTXWAMCSA-N 1 0 315.344 3.236 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2CCC3(COC3)CC2)cc1 ZINC000883389291 626670019 /nfs/dbraw/zinc/67/00/19/626670019.db2.gz NLVHBCBQTYSIPL-ARJAWSKDSA-N 1 0 300.446 3.315 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000806133389 626701174 /nfs/dbraw/zinc/70/11/74/626701174.db2.gz MGBWKZBRZZEYJD-UXHICEINSA-N 1 0 314.473 3.174 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1O ZINC000840093912 626756284 /nfs/dbraw/zinc/75/62/84/626756284.db2.gz KOBZPAIBSHGUDW-MRXNPFEDSA-N 1 0 305.418 3.100 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000840097465 626759318 /nfs/dbraw/zinc/75/93/18/626759318.db2.gz ZNKOCQVNSKPIAO-INIZCTEOSA-N 1 0 312.413 3.331 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000840110886 626765486 /nfs/dbraw/zinc/76/54/86/626765486.db2.gz VCROUEYJAQTNFZ-OAHLLOKOSA-N 1 0 318.461 3.123 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](SC)C3)c2c1 ZINC000840115461 626768765 /nfs/dbraw/zinc/76/87/65/626768765.db2.gz MBGZELJAKOAVEJ-CQSZACIVSA-N 1 0 303.427 3.491 20 10 DGCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc2c(cc1O)CCCC2 ZINC000808194783 626805622 /nfs/dbraw/zinc/80/56/22/626805622.db2.gz ZWXHNSVGTQFUBT-DNVCBOLYSA-N 1 0 314.473 3.330 20 10 DGCDRO COCCOCCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808673636 626848198 /nfs/dbraw/zinc/84/81/98/626848198.db2.gz RGUBHPBDMRPTCY-LBPRGKRZSA-N 1 0 301.814 3.058 20 10 DGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808682492 626849080 /nfs/dbraw/zinc/84/90/80/626849080.db2.gz RVYZWQWAJPTMNH-NEPJUHHUSA-N 1 0 312.841 3.309 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCO[C@H]2CCOC2)c1O ZINC000808702133 626850831 /nfs/dbraw/zinc/85/08/31/626850831.db2.gz SGUGSJUTNZIMRS-JSGCOSHPSA-N 1 0 313.825 3.200 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1O ZINC000808702136 626850991 /nfs/dbraw/zinc/85/09/91/626850991.db2.gz SGUGSJUTNZIMRS-TZMCWYRMSA-N 1 0 313.825 3.200 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000808706210 626851642 /nfs/dbraw/zinc/85/16/42/626851642.db2.gz FFOKXCRKBLQJTC-AAEUAGOBSA-N 1 0 324.852 3.404 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c1O ZINC000808716670 626853248 /nfs/dbraw/zinc/85/32/48/626853248.db2.gz SFDOZBCFNAGTEE-GFCCVEGCSA-N 1 0 320.820 3.212 20 10 DGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808717323 626853251 /nfs/dbraw/zinc/85/32/51/626853251.db2.gz BZISFJLXBWHDCL-TZMCWYRMSA-N 1 0 324.852 3.263 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)c1ccccc1O ZINC000808724514 626854372 /nfs/dbraw/zinc/85/43/72/626854372.db2.gz WKRRTXGSWFMMPM-NRSFXHEJSA-N 1 0 316.445 3.080 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000808729255 626855019 /nfs/dbraw/zinc/85/50/19/626855019.db2.gz WIHVYWIQZLXETN-SWLSCSKDSA-N 1 0 301.361 3.494 20 10 DGCDRO COc1cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c(O)cc1C ZINC000840143654 626856894 /nfs/dbraw/zinc/85/68/94/626856894.db2.gz WERQOAUXDSAHEL-DLBZAZTESA-N 1 0 305.418 3.099 20 10 DGCDRO Cc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1C ZINC000840148743 626867856 /nfs/dbraw/zinc/86/78/56/626867856.db2.gz VKOPPWDKJRQYBV-SFHVURJKSA-N 1 0 313.397 3.067 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1[O-] ZINC000134437580 626876893 /nfs/dbraw/zinc/87/68/93/626876893.db2.gz QNIMVNWJHKRQDY-AWEZNQCLSA-N 1 0 313.825 3.087 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccncn3)CC1)CCC2 ZINC000840170800 626904212 /nfs/dbraw/zinc/90/42/12/626904212.db2.gz VVQFTPGRROAWAW-UHFFFAOYSA-N 1 0 309.413 3.051 20 10 DGCDRO C[C@@H](O)c1ncc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000809642270 626931790 /nfs/dbraw/zinc/93/17/90/626931790.db2.gz FVCRLENKERCOFV-VXGBXAGGSA-N 1 0 305.447 3.113 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c1 ZINC000809655726 626934198 /nfs/dbraw/zinc/93/41/98/626934198.db2.gz OYSUMFCBBGTQMY-SFHVURJKSA-N 1 0 315.413 3.250 20 10 DGCDRO CCC[N@H+](CCN1CCCC1)Cc1ccc(OCC)cc1O ZINC000809701201 626938946 /nfs/dbraw/zinc/93/89/46/626938946.db2.gz VNXVJWGNIHVSSY-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO Cc1cc(Cl)cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000809704165 626939304 /nfs/dbraw/zinc/93/93/04/626939304.db2.gz WEXZOJCVBYYUMK-CZUORRHYSA-N 1 0 308.853 3.413 20 10 DGCDRO Cc1cccc(C[N@@H+](CCc2ccccc2)CCN(C)C)c1O ZINC000809730525 626942717 /nfs/dbraw/zinc/94/27/17/626942717.db2.gz RBIDXDJCYIVFMI-UHFFFAOYSA-N 1 0 312.457 3.307 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000809733469 626943195 /nfs/dbraw/zinc/94/31/95/626943195.db2.gz XLFRALCPXXVSNG-UHFFFAOYSA-N 1 0 305.761 3.122 20 10 DGCDRO C[NH+](C)CCN(Cc1ccccc1O)Cc1ccccc1F ZINC000809732715 626943217 /nfs/dbraw/zinc/94/32/17/626943217.db2.gz OZMCYAXRSXUNQO-UHFFFAOYSA-N 1 0 302.393 3.095 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)c1O ZINC000809739597 626944287 /nfs/dbraw/zinc/94/42/87/626944287.db2.gz PDCFTWHCILQSSJ-UHFFFAOYSA-N 1 0 309.369 3.081 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cnc(-c3ccccc3)nc2)c1O ZINC000809739484 626944477 /nfs/dbraw/zinc/94/44/77/626944477.db2.gz MHGXNGUQNRWRKZ-UHFFFAOYSA-N 1 0 321.380 3.148 20 10 DGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC000809742819 626944668 /nfs/dbraw/zinc/94/46/68/626944668.db2.gz FVNNBAFHAQQHKM-UHFFFAOYSA-N 1 0 309.749 3.105 20 10 DGCDRO O[C@H](CC[NH2+]Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000809743402 626945110 /nfs/dbraw/zinc/94/51/10/626945110.db2.gz QXACWVQPTFGJMK-OAHLLOKOSA-N 1 0 316.367 3.080 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1 ZINC000809785052 626952455 /nfs/dbraw/zinc/95/24/55/626952455.db2.gz NESAVINDTVIAOC-KRWDZBQOSA-N 1 0 317.477 3.010 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810215631 626988738 /nfs/dbraw/zinc/98/87/38/626988738.db2.gz ISIHBVNEWHNGDW-DGCLKSJQSA-N 1 0 302.340 3.156 20 10 DGCDRO CC[C@H]([NH2+]CCOCCOC)c1ccc(C(F)(F)F)cc1O ZINC000810213187 626988851 /nfs/dbraw/zinc/98/88/51/626988851.db2.gz OBDIKMOQSHJODN-ZDUSSCGKSA-N 1 0 321.339 3.115 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810213168 626989039 /nfs/dbraw/zinc/98/90/39/626989039.db2.gz NQUUNVPOIGNUQB-ZWNOBZJWSA-N 1 0 303.324 3.488 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CO)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810222620 626989408 /nfs/dbraw/zinc/98/94/08/626989408.db2.gz XHECYHRRJIUHFZ-CHWSQXEVSA-N 1 0 305.340 3.469 20 10 DGCDRO Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C2 ZINC000810259810 626993945 /nfs/dbraw/zinc/99/39/45/626993945.db2.gz TVXISLYSXACOHX-DOMZBBRYSA-N 1 0 301.361 3.494 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cccnc2OC)cc1 ZINC000810260399 626994510 /nfs/dbraw/zinc/99/45/10/626994510.db2.gz KIMQKWKBPITXHL-HNNXBMFYSA-N 1 0 313.445 3.440 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)c(F)c1OC ZINC000885902836 627057822 /nfs/dbraw/zinc/05/78/22/627057822.db2.gz AUGAJIUIQLUZJU-UHFFFAOYSA-N 1 0 318.392 3.199 20 10 DGCDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000136825201 627103531 /nfs/dbraw/zinc/10/35/31/627103531.db2.gz KXVHPJKKOAEFOO-WMZOPIPTSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ncco3)CC2)cc1 ZINC000886272590 627128956 /nfs/dbraw/zinc/12/89/56/627128956.db2.gz VLFXAXGUNFZDSE-ZDUSSCGKSA-N 1 0 301.390 3.003 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000886300763 627133195 /nfs/dbraw/zinc/13/31/95/627133195.db2.gz PBNWPYYQZUBTLG-KRWDZBQOSA-N 1 0 319.445 3.156 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000886513147 627155412 /nfs/dbraw/zinc/15/54/12/627155412.db2.gz VHPZPYJLJWCSHK-DNVCBOLYSA-N 1 0 323.440 3.256 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCc4cccnc43)C2)cc1 ZINC000886628083 627176752 /nfs/dbraw/zinc/17/67/52/627176752.db2.gz FIBNZTCHZULXNW-KXBFYZLASA-N 1 0 323.440 3.194 20 10 DGCDRO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886641530 627178515 /nfs/dbraw/zinc/17/85/15/627178515.db2.gz LTHFTVBAOIFQBF-LBPRGKRZSA-N 1 0 316.376 3.365 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1c([O-])cccc1F ZINC000886643285 627178947 /nfs/dbraw/zinc/17/89/47/627178947.db2.gz QBSVWYRPXGFAMX-XHDPSFHLSA-N 1 0 314.360 3.009 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2F)c(O)c1C ZINC000886675069 627186892 /nfs/dbraw/zinc/18/68/92/627186892.db2.gz WMBUCOMXHXDQRQ-GDBMZVCRSA-N 1 0 317.404 3.402 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2F)c(O)c1 ZINC000886674620 627187092 /nfs/dbraw/zinc/18/70/92/627187092.db2.gz OKXRJQHQDLCKAI-ZBFHGGJFSA-N 1 0 317.404 3.402 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000886708668 627195285 /nfs/dbraw/zinc/19/52/85/627195285.db2.gz ADYDFCHCGVOOLE-HZPDHXFCSA-N 1 0 319.445 3.409 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c(O)c1 ZINC000886764026 627201800 /nfs/dbraw/zinc/20/18/00/627201800.db2.gz JOROCWXJUIAOMU-XSWJXKHESA-N 1 0 305.418 3.078 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(C)cc1O ZINC000886766891 627202211 /nfs/dbraw/zinc/20/22/11/627202211.db2.gz UEIAXASVZSZDGY-WXSAJPJJSA-N 1 0 319.445 3.468 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1cc(F)ccc1O ZINC000886771441 627202911 /nfs/dbraw/zinc/20/29/11/627202911.db2.gz HWRHXCCJGPXAGR-MLOIPWKLSA-N 1 0 323.408 3.155 20 10 DGCDRO CC(C)C[C@H](C[NH2+]Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000811477343 627278917 /nfs/dbraw/zinc/27/89/17/627278917.db2.gz NNIJSKZHKUHADN-OAHLLOKOSA-N 1 0 322.449 3.421 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000811803399 627322717 /nfs/dbraw/zinc/32/27/17/627322717.db2.gz LFKCFKGWHWYGLR-AWEZNQCLSA-N 1 0 321.808 3.006 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811790534 627322845 /nfs/dbraw/zinc/32/28/45/627322845.db2.gz NCQJNAGBMYWQPW-OALUTQOASA-N 1 0 324.424 3.474 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2c3c(nn2C)CCCC3)c1O ZINC000812773720 627418354 /nfs/dbraw/zinc/41/83/54/627418354.db2.gz OKIASRXXPOKZRY-UHFFFAOYSA-N 1 0 319.836 3.256 20 10 DGCDRO COCC1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CCOCC1 ZINC000813875664 627518442 /nfs/dbraw/zinc/51/84/42/627518442.db2.gz QRYJIAHRYGJOGJ-JSGCOSHPSA-N 1 0 323.408 3.112 20 10 DGCDRO COCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000813882519 627518871 /nfs/dbraw/zinc/51/88/71/627518871.db2.gz AKQNZJRVQUZLTD-JTQLQIEISA-N 1 0 316.239 3.478 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c(O)c1 ZINC000814171868 627546770 /nfs/dbraw/zinc/54/67/70/627546770.db2.gz XJSYBJISMXGMJI-QGZVFWFLSA-N 1 0 307.434 3.068 20 10 DGCDRO Cc1cc(C[N@@H+]2CCc3ccccc3[C@H]2CO)ccc1N(C)C ZINC000815073119 627622673 /nfs/dbraw/zinc/62/26/73/627622673.db2.gz GIILUWXNKZIQBZ-HXUWFJFHSA-N 1 0 310.441 3.153 20 10 DGCDRO Cc1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)ccc1N(C)C ZINC000815091869 627625405 /nfs/dbraw/zinc/62/54/05/627625405.db2.gz SUTWGZMZZAZZFX-SFHVURJKSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)ccc1N(C)C ZINC000815092973 627625445 /nfs/dbraw/zinc/62/54/45/627625445.db2.gz YFQYOMCNIGPZMP-INIZCTEOSA-N 1 0 302.462 3.452 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)c(O)c1 ZINC000815152708 627638959 /nfs/dbraw/zinc/63/89/59/627638959.db2.gz SQTWFRVPIGXOFR-UHFFFAOYSA-N 1 0 311.303 3.498 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c(O)c1 ZINC000815553442 627684195 /nfs/dbraw/zinc/68/41/95/627684195.db2.gz AGFMEICIYFTGCC-SJORKVTESA-N 1 0 320.477 3.016 20 10 DGCDRO C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815570989 627685388 /nfs/dbraw/zinc/68/53/88/627685388.db2.gz QSBNUAPMOIPHDY-GHMZBOCLSA-N 1 0 304.356 3.402 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCOC[C@@H]2CCOC2)c(O)c1 ZINC000815582253 627687668 /nfs/dbraw/zinc/68/76/68/627687668.db2.gz BDLRYPPQFJWQND-CVEARBPZSA-N 1 0 307.434 3.103 20 10 DGCDRO C[C@@H]1CC2(CC([NH2+]Cc3ccc4c(c3)CCCN4C)C2)CO1 ZINC000924871955 627689190 /nfs/dbraw/zinc/68/91/90/627689190.db2.gz PNRTVAWZUBHFID-ZCGYKAAXSA-N 1 0 300.446 3.116 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC000815598320 627689640 /nfs/dbraw/zinc/68/96/40/627689640.db2.gz ROZNLAMJVIJVNS-RNCFNFMXSA-N 1 0 303.324 3.487 20 10 DGCDRO Clc1ccnc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924901355 627691959 /nfs/dbraw/zinc/69/19/59/627691959.db2.gz SEPFAXNJRPFIRV-HNNXBMFYSA-N 1 0 300.789 3.447 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000815632419 627692915 /nfs/dbraw/zinc/69/29/15/627692915.db2.gz MPMBSQPCWZTYFU-HZPDHXFCSA-N 1 0 319.493 3.346 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925082006 627706678 /nfs/dbraw/zinc/70/66/78/627706678.db2.gz SVBSMQYWFKKARC-UHFFFAOYSA-N 1 0 302.462 3.498 20 10 DGCDRO CCOC(=O)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816480874 627795404 /nfs/dbraw/zinc/79/54/04/627795404.db2.gz ZOCAPXZVZMDQLW-UHFFFAOYSA-N 1 0 313.397 3.321 20 10 DGCDRO COCCC[N@H+](CCOC)Cc1ccc2ccccc2c1O ZINC000816494351 627797243 /nfs/dbraw/zinc/79/72/43/627797243.db2.gz HZMMRADRZNJVGB-UHFFFAOYSA-N 1 0 303.402 3.030 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)ccc2ccccc21 ZINC000816501206 627797757 /nfs/dbraw/zinc/79/77/57/627797757.db2.gz ABVWBTCSPJOIDS-MRXNPFEDSA-N 1 0 313.397 3.130 20 10 DGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3O)C2)[nH]1 ZINC000816521731 627801282 /nfs/dbraw/zinc/80/12/82/627801282.db2.gz XOGZGPCXOPFEQX-MRXNPFEDSA-N 1 0 322.412 3.352 20 10 DGCDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816519809 627801655 /nfs/dbraw/zinc/80/16/55/627801655.db2.gz WTGWRKBUOFUQAY-AWEZNQCLSA-N 1 0 323.799 3.428 20 10 DGCDRO Oc1c(C[NH2+]C[C@@H](O)COc2ccccc2)ccc2ccccc21 ZINC000816532907 627803182 /nfs/dbraw/zinc/80/31/82/627803182.db2.gz AMIYQWVABZVQGB-QGZVFWFLSA-N 1 0 323.392 3.075 20 10 DGCDRO Oc1c(C[NH2+]C[C@H]2CSCCS2)ccc2ccccc21 ZINC000816556812 627807449 /nfs/dbraw/zinc/80/74/49/627807449.db2.gz UVIGFWCOXDDNDN-AWEZNQCLSA-N 1 0 305.468 3.484 20 10 DGCDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816568531 627808982 /nfs/dbraw/zinc/80/89/82/627808982.db2.gz JDNRCHWPIFPWSQ-STQMWFEESA-N 1 0 301.386 3.223 20 10 DGCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1O ZINC000816625067 627816729 /nfs/dbraw/zinc/81/67/29/627816729.db2.gz PYJGHCXJBSVNRC-QGZVFWFLSA-N 1 0 319.832 3.389 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)cc1C ZINC000816637568 627817390 /nfs/dbraw/zinc/81/73/90/627817390.db2.gz IALAZRRXCSSYKB-GOSISDBHSA-N 1 0 314.429 3.253 20 10 DGCDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000816662543 627821929 /nfs/dbraw/zinc/82/19/29/627821929.db2.gz RJDQBQIOMSRVKJ-GOSISDBHSA-N 1 0 308.441 3.122 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)ccc1N1CCCCC1 ZINC000817281898 627877169 /nfs/dbraw/zinc/87/71/69/627877169.db2.gz SFJVYKRUDQOGNW-LPHOPBHVSA-N 1 0 316.489 3.436 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926595623 627919724 /nfs/dbraw/zinc/91/97/24/627919724.db2.gz JPYMENBQTLGVAU-HUUCEWRRSA-N 1 0 313.445 3.443 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926595624 627920097 /nfs/dbraw/zinc/92/00/97/627920097.db2.gz JPYMENBQTLGVAU-LSDHHAIUSA-N 1 0 313.445 3.443 20 10 DGCDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)CC1=O ZINC000817588455 627927666 /nfs/dbraw/zinc/92/76/66/627927666.db2.gz FTCFHXWGJRISDB-HOTGVXAUSA-N 1 0 317.477 3.052 20 10 DGCDRO CC1CCN(c2ccc(CN[C@@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000817902782 627957247 /nfs/dbraw/zinc/95/72/47/627957247.db2.gz YEEROIXBQJRKQY-QFBILLFUSA-N 1 0 301.478 3.011 20 10 DGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1F ZINC000817938910 627967519 /nfs/dbraw/zinc/96/75/19/627967519.db2.gz VJRQUPQGMVRSTA-UGSOOPFHSA-N 1 0 301.409 3.242 20 10 DGCDRO C[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817939360 627967540 /nfs/dbraw/zinc/96/75/40/627967540.db2.gz DJEQMUDERCQJBI-QMMMGPOBSA-N 1 0 321.646 3.068 20 10 DGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(F)ccc1F ZINC000817938710 627967651 /nfs/dbraw/zinc/96/76/51/627967651.db2.gz QRYXASOMJKFDNM-XIKOKIGWSA-N 1 0 319.399 3.381 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCc3c2cccc3F)cc1 ZINC000817938972 627967761 /nfs/dbraw/zinc/96/77/61/627967761.db2.gz WQVJFQPUHLHANZ-MOPGFXCFSA-N 1 0 313.420 3.169 20 10 DGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)cn1 ZINC000817942626 627969319 /nfs/dbraw/zinc/96/93/19/627969319.db2.gz QBMQQAVLEGNQBM-WBMJQRKESA-N 1 0 318.852 3.152 20 10 DGCDRO CCC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817942910 627969728 /nfs/dbraw/zinc/96/97/28/627969728.db2.gz RMZKZJRKYOUDFF-OALUTQOASA-N 1 0 312.461 3.278 20 10 DGCDRO CCC[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817944099 627969951 /nfs/dbraw/zinc/96/99/51/627969951.db2.gz XHEUYSWYRCETRA-ROUUACIJSA-N 1 0 312.461 3.278 20 10 DGCDRO CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817953760 627972958 /nfs/dbraw/zinc/97/29/58/627972958.db2.gz QPHMZUOBZOHNJS-NSHDSACASA-N 1 0 304.356 3.450 20 10 DGCDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)OCCO2 ZINC000817955689 627973941 /nfs/dbraw/zinc/97/39/41/627973941.db2.gz FOFLRRLBTLFIAK-KRWDZBQOSA-N 1 0 312.413 3.323 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC000926904086 627975344 /nfs/dbraw/zinc/97/53/44/627975344.db2.gz DODWSEYZSMIHAV-SCRDCRAPSA-N 1 0 315.335 3.469 20 10 DGCDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817967208 627977979 /nfs/dbraw/zinc/97/79/79/627977979.db2.gz FOCKMFTUGGSIET-RLFYNMQTSA-N 1 0 319.468 3.465 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817969544 627978879 /nfs/dbraw/zinc/97/88/79/627978879.db2.gz WSGMVWNDQCZSCG-GHMZBOCLSA-N 1 0 302.340 3.204 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972048 627980351 /nfs/dbraw/zinc/98/03/51/627980351.db2.gz SREHQZPIAIMDDI-OPRDCNLKSA-N 1 0 303.233 3.490 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000817976171 627980625 /nfs/dbraw/zinc/98/06/25/627980625.db2.gz HODSDBSNEWQVHC-XPTSAGLGSA-N 1 0 315.244 3.492 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000817976173 627980766 /nfs/dbraw/zinc/98/07/66/627980766.db2.gz HODSDBSNEWQVHC-YMTOWFKASA-N 1 0 315.244 3.492 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976151 627980846 /nfs/dbraw/zinc/98/08/46/627980846.db2.gz HMJLCKSCGRJRKW-JOYOIKCWSA-N 1 0 315.244 3.492 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])[C@H](C)[NH3+] ZINC000817977921 627981529 /nfs/dbraw/zinc/98/15/29/627981529.db2.gz RLCBXDOUIJZAGX-RNJXMRFFSA-N 1 0 321.646 3.194 20 10 DGCDRO C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817977930 627981630 /nfs/dbraw/zinc/98/16/30/627981630.db2.gz RSJUTCAHTCRBAE-BDAKNGLRSA-N 1 0 319.218 3.072 20 10 DGCDRO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1O ZINC000817980291 627982475 /nfs/dbraw/zinc/98/24/75/627982475.db2.gz KMAQIPITWWNOHJ-XHDPSFHLSA-N 1 0 306.356 3.193 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)N[C@H]2C[NH2+]CCC2(F)F)c1O ZINC000817981881 627982579 /nfs/dbraw/zinc/98/25/79/627982579.db2.gz WNAWLRVPZWIJMZ-SKDRFNHKSA-N 1 0 304.768 3.002 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)N[C@@H]2C[NH2+]CCC2(F)F)c1O ZINC000817981880 627982599 /nfs/dbraw/zinc/98/25/99/627982599.db2.gz WNAWLRVPZWIJMZ-JOYOIKCWSA-N 1 0 304.768 3.002 20 10 DGCDRO CC[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1O ZINC000817980115 627982671 /nfs/dbraw/zinc/98/26/71/627982671.db2.gz IUUILYBMZUXUKA-DGCLKSJQSA-N 1 0 304.768 3.084 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2c1c(F)ccc2O ZINC000926937551 627985044 /nfs/dbraw/zinc/98/50/44/627985044.db2.gz PDXLWPUOIXBVMF-GEJOOGBSSA-N 1 0 303.377 3.260 20 10 DGCDRO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cc2c(cc1O)CCCC2 ZINC000927005287 627996078 /nfs/dbraw/zinc/99/60/78/627996078.db2.gz ZCYUTOZRLRZRHG-CYBMUJFWSA-N 1 0 317.429 3.075 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c(O)c1 ZINC000927012069 627996643 /nfs/dbraw/zinc/99/66/43/627996643.db2.gz FLZHCKHKXYEKCA-JKSUJKDBSA-N 1 0 319.445 3.388 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c(O)c1 ZINC000927015654 627997880 /nfs/dbraw/zinc/99/78/80/627997880.db2.gz RMXOSOZWFBUWDW-HUUCEWRRSA-N 1 0 305.418 3.079 20 10 DGCDRO [NH3+][C@H](CCC(=O)NCc1ccccc1O)CC1CCCCC1 ZINC000818212811 628005222 /nfs/dbraw/zinc/00/52/22/628005222.db2.gz BVGZOWYBAVMXJO-MRXNPFEDSA-N 1 0 304.434 3.086 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(C)nc3)C2)cc1 ZINC000818220661 628006077 /nfs/dbraw/zinc/00/60/77/628006077.db2.gz IJAVCNNFFSVMRS-QGZVFWFLSA-N 1 0 311.429 3.015 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3occc3C)C2)cc1 ZINC000818222965 628006222 /nfs/dbraw/zinc/00/62/22/628006222.db2.gz ZFWUBHOJXHGARP-OAHLLOKOSA-N 1 0 300.402 3.213 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(C)o3)C2)cc1 ZINC000818222493 628006519 /nfs/dbraw/zinc/00/65/19/628006519.db2.gz YCVBKTARIMVFQZ-OAHLLOKOSA-N 1 0 300.402 3.213 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000818222790 628006672 /nfs/dbraw/zinc/00/66/72/628006672.db2.gz VZKRNAGTOLHHCC-TWMKSMIVSA-N 1 0 318.461 3.067 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCOC2)cc1 ZINC000818237376 628007823 /nfs/dbraw/zinc/00/78/23/628007823.db2.gz ZUISCCNTMVJNLR-OAHLLOKOSA-N 1 0 302.443 3.263 20 10 DGCDRO CC[C@@H]([NH2+]CCOC1CCOCC1)c1cc(Cl)ccc1O ZINC000927079127 628009732 /nfs/dbraw/zinc/00/97/32/628009732.db2.gz KPDUPTNDWFYDPQ-OAHLLOKOSA-N 1 0 313.825 3.282 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)[C@]3(C)CCCO3)C2)cc1 ZINC000818343180 628015866 /nfs/dbraw/zinc/01/58/66/628015866.db2.gz ZBKAGAATRISUCD-FCEWJHQRSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000818343190 628015922 /nfs/dbraw/zinc/01/59/22/628015922.db2.gz ZDBCVTHWSVGHJL-SAKMYQHLSA-N 1 0 300.446 3.300 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccco3)C2)cc1 ZINC000818344638 628016193 /nfs/dbraw/zinc/01/61/93/628016193.db2.gz PMWYQEMDVSGDOX-GJZGRUSLSA-N 1 0 300.402 3.465 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cncs3)C2)cc1 ZINC000818344134 628016332 /nfs/dbraw/zinc/01/63/32/628016332.db2.gz JNHTXNBUMANEDQ-ZIAGYGMSSA-N 1 0 317.458 3.329 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000818344562 628016340 /nfs/dbraw/zinc/01/63/40/628016340.db2.gz OJYFWXWFZDBCOP-INIZCTEOSA-N 1 0 322.452 3.279 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3c(s2)COCC3)c1 ZINC000927121153 628020617 /nfs/dbraw/zinc/02/06/17/628020617.db2.gz LPGIZROVLNOMGU-LLVKDONJSA-N 1 0 304.415 3.081 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2O)c1O ZINC000927141552 628025591 /nfs/dbraw/zinc/02/55/91/628025591.db2.gz WWAPVLKHJUMURO-XZOAIXRZSA-N 1 0 313.397 3.100 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000819077414 628087551 /nfs/dbraw/zinc/08/75/51/628087551.db2.gz KOTWEOSPVACVGL-UZLBHIALSA-N 1 0 312.457 3.315 20 10 DGCDRO CC(C)n1cncc1C[NH2+]Cc1cc(Br)ccc1O ZINC000822480654 628456310 /nfs/dbraw/zinc/45/63/10/628456310.db2.gz CEUMFQIIBBDBBC-UHFFFAOYSA-N 1 0 324.222 3.222 20 10 DGCDRO CCOC(=O)CN(Cc1ccccc1O)CC1(SC)CCC1 ZINC000822511558 628459438 /nfs/dbraw/zinc/45/94/38/628459438.db2.gz IJFIWUULWGRLNF-UHFFFAOYSA-N 1 0 323.458 3.043 20 10 DGCDRO Oc1ccccc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822526717 628461551 /nfs/dbraw/zinc/46/15/51/628461551.db2.gz WOFIHLGYISWQHS-IAGOWNOFSA-N 1 0 303.789 3.354 20 10 DGCDRO COc1nccnc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000823446978 628563178 /nfs/dbraw/zinc/56/31/78/628563178.db2.gz AWYIDWXFVDESFT-UHFFFAOYSA-N 1 0 313.401 3.136 20 10 DGCDRO Fc1cnccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823670958 628585600 /nfs/dbraw/zinc/58/56/00/628585600.db2.gz GKEXRHDNWRDGGQ-UHFFFAOYSA-N 1 0 317.433 3.064 20 10 DGCDRO CCCC[N@H+](Cc1c(C)nnn1CC)Cc1ccccc1O ZINC000824344183 628653472 /nfs/dbraw/zinc/65/34/72/628653472.db2.gz FISJFVMNCUCUSI-UHFFFAOYSA-N 1 0 302.422 3.114 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](CC)COCC(F)(F)F)c(O)c1 ZINC000824556087 628670753 /nfs/dbraw/zinc/67/07/53/628670753.db2.gz ZUUBQJZJGHBJQU-GFCCVEGCSA-N 1 0 321.339 3.238 20 10 DGCDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824627617 628678898 /nfs/dbraw/zinc/67/88/98/628678898.db2.gz QOOCMHHPCJRGEZ-OAHLLOKOSA-N 1 0 324.852 3.187 20 10 DGCDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824636293 628679087 /nfs/dbraw/zinc/67/90/87/628679087.db2.gz OODMAUSOOCOSBT-MJGOQNOKSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]2C2CC2)c1O ZINC000824650152 628680388 /nfs/dbraw/zinc/68/03/88/628680388.db2.gz KDZGOIPTCZUXGU-GFCCVEGCSA-N 1 0 312.207 3.148 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1Cl ZINC000824682569 628683400 /nfs/dbraw/zinc/68/34/00/628683400.db2.gz IBAYVYUGUZFVOL-CQSZACIVSA-N 1 0 311.809 3.081 20 10 DGCDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000824798614 628694661 /nfs/dbraw/zinc/69/46/61/628694661.db2.gz GFJDILMKUXHDMC-YJBOKZPZSA-N 1 0 308.441 3.433 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@H]1C ZINC000824815770 628697574 /nfs/dbraw/zinc/69/75/74/628697574.db2.gz YZCJLJUBKVVMMN-QMTHXVAHSA-N 1 0 314.223 3.012 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000824815769 628697599 /nfs/dbraw/zinc/69/75/99/628697599.db2.gz YZCJLJUBKVVMMN-IINYFYTJSA-N 1 0 314.223 3.012 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)c(C(C)(C)C)c1 ZINC000824849710 628699885 /nfs/dbraw/zinc/69/98/85/628699885.db2.gz HDHLQPSQIUKSEC-GOSISDBHSA-N 1 0 307.434 3.045 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC)cc1O ZINC000824862203 628701178 /nfs/dbraw/zinc/70/11/78/628701178.db2.gz WWZXSLNKXGUFOB-CVEARBPZSA-N 1 0 321.417 3.002 20 10 DGCDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000824920212 628706763 /nfs/dbraw/zinc/70/67/63/628706763.db2.gz HYDMPWAVUUGECR-GUYCJALGSA-N 1 0 321.461 3.291 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000824955234 628710938 /nfs/dbraw/zinc/71/09/38/628710938.db2.gz VKPYVNXDBZEBRT-RDJZCZTQSA-N 1 0 318.804 3.451 20 10 DGCDRO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000825005891 628715465 /nfs/dbraw/zinc/71/54/65/628715465.db2.gz UVEYIHFWZQAFQN-SNVBAGLBSA-N 1 0 309.797 3.121 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)c2nccn21 ZINC000825017450 628716816 /nfs/dbraw/zinc/71/68/16/628716816.db2.gz RSQARMQUBYRPTN-SKDRFNHKSA-N 1 0 322.206 3.147 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000825031131 628718452 /nfs/dbraw/zinc/71/84/52/628718452.db2.gz ZVJGZCAAOZEGGN-WBVHZDCISA-N 1 0 317.429 3.208 20 10 DGCDRO COc1cc(C[NH2+]Cc2cccc(OC)c2O)ccc1Cl ZINC000825144123 628732564 /nfs/dbraw/zinc/73/25/64/628732564.db2.gz LEKKOYJVFGXPSF-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000825167642 628733997 /nfs/dbraw/zinc/73/39/97/628733997.db2.gz OEKNSFYMDOZOLX-IEBWSBKVSA-N 1 0 300.446 3.334 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@H]2OCC)ccc1OC ZINC000825284569 628746861 /nfs/dbraw/zinc/74/68/61/628746861.db2.gz QTFYAUYFTPGGPT-SJLPKXTDSA-N 1 0 307.434 3.279 20 10 DGCDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825316366 628748041 /nfs/dbraw/zinc/74/80/41/628748041.db2.gz RXPATSWIKVLBKA-SNVBAGLBSA-N 1 0 316.239 3.448 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC(=O)N(C)C2CCCCC2)cc1Cl ZINC000825327639 628750466 /nfs/dbraw/zinc/75/04/66/628750466.db2.gz ZGBKZLUZCGUQAV-UHFFFAOYSA-N 1 0 324.852 3.235 20 10 DGCDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(Br)cc1O ZINC000825347402 628752741 /nfs/dbraw/zinc/75/27/41/628752741.db2.gz LECDKQBDACZHKB-WDEREUQCSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2nccn2CC(C)C)cc1Cl ZINC000825428667 628760278 /nfs/dbraw/zinc/76/02/78/628760278.db2.gz AHVVJLLHRRDBCF-UHFFFAOYSA-N 1 0 307.825 3.496 20 10 DGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCCSCC1 ZINC000825450656 628763084 /nfs/dbraw/zinc/76/30/84/628763084.db2.gz KCWFZKOFKGGWQR-UHFFFAOYSA-N 1 0 302.237 3.094 20 10 DGCDRO CCC(O)(CC)CC[NH2+]Cc1ccc(Br)cc1O ZINC000825667442 628783769 /nfs/dbraw/zinc/78/37/69/628783769.db2.gz YJUBDEVADKYMQN-UHFFFAOYSA-N 1 0 316.239 3.186 20 10 DGCDRO CSCCC[N@H+](C)Cc1ccc(Br)cc1O ZINC000825768751 628795816 /nfs/dbraw/zinc/79/58/16/628795816.db2.gz XOQDVXVQFMOACV-UHFFFAOYSA-N 1 0 304.253 3.340 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1Cl ZINC000825900795 628808931 /nfs/dbraw/zinc/80/89/31/628808931.db2.gz RNZLFCJNTSEYCQ-CJNGLKHVSA-N 1 0 308.853 3.413 20 10 DGCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000825942855 628813181 /nfs/dbraw/zinc/81/31/81/628813181.db2.gz MQZUPHFHAMJPDF-ROUUACIJSA-N 1 0 317.477 3.009 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1Cl ZINC000826064464 628825131 /nfs/dbraw/zinc/82/51/31/628825131.db2.gz KMMAMCOUSUKZLR-WMLDXEAASA-N 1 0 309.837 3.241 20 10 DGCDRO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000826074521 628826287 /nfs/dbraw/zinc/82/62/87/628826287.db2.gz CVJYTROLADMFBW-JTQLQIEISA-N 1 0 324.222 3.222 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000826123991 628830159 /nfs/dbraw/zinc/83/01/59/628830159.db2.gz YASBWKRFEZRXJS-POZUXBRTSA-N 1 0 302.462 3.149 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCc3cc(OC)ccc3C2)c(O)c1 ZINC000827305110 628947394 /nfs/dbraw/zinc/94/73/94/628947394.db2.gz MKYZNRDISMPNAZ-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000827377152 628954616 /nfs/dbraw/zinc/95/46/16/628954616.db2.gz QRDFGOCOOOXMFI-RDTXWAMCSA-N 1 0 305.418 3.182 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000827494309 628963756 /nfs/dbraw/zinc/96/37/56/628963756.db2.gz JBCIRQWFNMRDLX-QGZVFWFLSA-N 1 0 317.360 3.478 20 10 DGCDRO CC(C)[C@H](O)[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000827525684 628968178 /nfs/dbraw/zinc/96/81/78/628968178.db2.gz CQMLVQOSPJVYHX-MSOLQXFVSA-N 1 0 303.377 3.379 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(O)CCC(F)(F)CC2)cc1Cl ZINC000827648615 628979256 /nfs/dbraw/zinc/97/92/56/628979256.db2.gz CURWYCCXZWILQD-UHFFFAOYSA-N 1 0 319.779 3.384 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)c1 ZINC000827757684 628988937 /nfs/dbraw/zinc/98/89/37/628988937.db2.gz IKGCVXCIKBBAIO-UHFFFAOYSA-N 1 0 321.417 3.002 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1F ZINC000828013874 629014901 /nfs/dbraw/zinc/01/49/01/629014901.db2.gz NCHVRGBJOWDYOD-UHFFFAOYSA-N 1 0 316.424 3.199 20 10 DGCDRO Cc1cc(C[N@H+](C)CCc2cnccn2)ccc1N1CCCCC1 ZINC000828604564 629073851 /nfs/dbraw/zinc/07/38/51/629073851.db2.gz TUQFQQKHXDBNBY-UHFFFAOYSA-N 1 0 324.472 3.450 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1O ZINC000828893375 629106318 /nfs/dbraw/zinc/10/63/18/629106318.db2.gz JVQRJPQCOSMDOO-DYVFJYSZSA-N 1 0 321.392 3.125 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H]2CO)ccc1N1CCCCC1 ZINC000829121349 629132618 /nfs/dbraw/zinc/13/26/18/629132618.db2.gz TXUSSRIJHDCEDQ-DNVCBOLYSA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)ccc1N1CCCCC1 ZINC000829326718 629149456 /nfs/dbraw/zinc/14/94/56/629149456.db2.gz CLJVBKREMXPZSP-GOSISDBHSA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(C[N@@H+](C)CC(C)(C)CO)ccc1N1CCCCC1 ZINC000830708424 629296604 /nfs/dbraw/zinc/29/66/04/629296604.db2.gz SPXJLGRTDQHVHB-UHFFFAOYSA-N 1 0 304.478 3.436 20 10 DGCDRO CCN(C)c1ccc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)cc1 ZINC000831120606 629340626 /nfs/dbraw/zinc/34/06/26/629340626.db2.gz IHKWCQAEKITQDS-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C12CCC2 ZINC000831307553 629360333 /nfs/dbraw/zinc/36/03/33/629360333.db2.gz CMIORVPUOCLQNW-JKSUJKDBSA-N 1 0 321.392 3.171 20 10 DGCDRO CCCC[C@@H](CC)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272529 629457693 /nfs/dbraw/zinc/45/76/93/629457693.db2.gz GLYNJLLAEIZMKY-QAPCUYQASA-N 1 0 319.493 3.475 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCC(C)(C)C)cc1 ZINC000832274417 629458583 /nfs/dbraw/zinc/45/85/83/629458583.db2.gz SYCJELPFVQTVSQ-MRXNPFEDSA-N 1 0 305.466 3.085 20 10 DGCDRO CC[C@H]1CC[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832284353 629459108 /nfs/dbraw/zinc/45/91/08/629459108.db2.gz JINLSSSKGYUQPN-ZVZYQTTQSA-N 1 0 317.477 3.085 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)cc1 ZINC000834517955 629719510 /nfs/dbraw/zinc/71/95/10/629719510.db2.gz AYZWOEWQIOOKGJ-INIZCTEOSA-N 1 0 320.477 3.207 20 10 DGCDRO COc1cccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)c1OC ZINC000834517919 629719771 /nfs/dbraw/zinc/71/97/71/629719771.db2.gz AKSXCQNTJBZTSC-OAHLLOKOSA-N 1 0 313.397 3.229 20 10 DGCDRO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cn1 ZINC000834523464 629720559 /nfs/dbraw/zinc/72/05/59/629720559.db2.gz UQKCVOUYCXXSTE-MRXNPFEDSA-N 1 0 320.396 3.058 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@]1(O)CCCc3ccccc31)CC2 ZINC000834576159 629732617 /nfs/dbraw/zinc/73/26/17/629732617.db2.gz TUXFIKGISOMZGX-XLIONFOSSA-N 1 0 309.409 3.193 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834761967 629774773 /nfs/dbraw/zinc/77/47/73/629774773.db2.gz WLKBWKVIZWWGOX-HOCLYGCPSA-N 1 0 301.386 3.210 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(C)cc1O ZINC000834828372 629785080 /nfs/dbraw/zinc/78/50/80/629785080.db2.gz SINYZIFLFYPPSS-SJLPKXTDSA-N 1 0 317.404 3.484 20 10 DGCDRO CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000834881597 629796053 /nfs/dbraw/zinc/79/60/53/629796053.db2.gz AYYMLBSVWYOCRE-KSSFIOAISA-N 1 0 324.440 3.128 20 10 DGCDRO C[C@@H]([NH2+]CC1(CF)CCOCC1)c1cc(Cl)ccc1O ZINC000834884940 629797152 /nfs/dbraw/zinc/79/71/52/629797152.db2.gz FJZVZBBQEBSHMG-LLVKDONJSA-N 1 0 301.789 3.463 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000834915071 629807459 /nfs/dbraw/zinc/80/74/59/629807459.db2.gz PNDUHFGESSQNRU-YNEHKIRRSA-N 1 0 303.324 3.365 20 10 DGCDRO CN(C)c1ccc(/C=C/CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000835026449 629827753 /nfs/dbraw/zinc/82/77/53/629827753.db2.gz WSOWXFMZEVLPMY-FZMUQLTDSA-N 1 0 301.478 3.039 20 10 DGCDRO CCC1(CO)CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835026520 629828051 /nfs/dbraw/zinc/82/80/51/629828051.db2.gz UEQIBAHDMPVGQE-AATRIKPKSA-N 1 0 302.462 3.250 20 10 DGCDRO CC[NH+](CC)C[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835026225 629828413 /nfs/dbraw/zinc/82/84/13/629828413.db2.gz QODGNLHRLPRZRS-UCFODXPJSA-N 1 0 315.505 3.430 20 10 DGCDRO CC[N@H+](C)C[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027159 629828955 /nfs/dbraw/zinc/82/89/55/629828955.db2.gz BOPKRLAASPNWRN-MJRGOJFPSA-N 1 0 301.478 3.039 20 10 DGCDRO C[C@H](COCC(F)(F)F)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036563 629831033 /nfs/dbraw/zinc/83/10/33/629831033.db2.gz LUQPVPHPXUQSFJ-MUBLQREKSA-N 1 0 316.367 3.323 20 10 DGCDRO CCn1nc(C)c(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1C ZINC000835038752 629831081 /nfs/dbraw/zinc/83/10/81/629831081.db2.gz ZQELNTVSMHYMFY-FPLPWBNLSA-N 1 0 312.461 3.389 20 10 DGCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C2 ZINC000835037409 629831117 /nfs/dbraw/zinc/83/11/17/629831117.db2.gz VSETZZLUFCWWEF-PYTPGESOSA-N 1 0 322.456 3.011 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@](C)(CO)c2ccccc2)cc1 ZINC000835039079 629831149 /nfs/dbraw/zinc/83/11/49/629831149.db2.gz GDWXKFGZLBORAT-AQKVLALTSA-N 1 0 310.441 3.263 20 10 DGCDRO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1 ZINC000835040388 629832124 /nfs/dbraw/zinc/83/21/24/629832124.db2.gz OWCRUTFBDFXWAJ-XITLMJRVSA-N 1 0 323.440 3.383 20 10 DGCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@@H](O)Cc1ccccc1 ZINC000835040762 629832171 /nfs/dbraw/zinc/83/21/71/629832171.db2.gz GWDVLUPFXYYQRS-DWRXGZBISA-N 1 0 324.468 3.348 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](CO)c2ccccc2)cc1 ZINC000835044214 629833866 /nfs/dbraw/zinc/83/38/66/629833866.db2.gz XXTWDGCDEACXIU-LIXSYLKWSA-N 1 0 310.441 3.132 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000835049455 629836478 /nfs/dbraw/zinc/83/64/78/629836478.db2.gz DSKPVESOQAQKSV-DPZZJQGRSA-N 1 0 324.468 3.267 20 10 DGCDRO CCC[C@@]1(CO)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835051876 629837070 /nfs/dbraw/zinc/83/70/70/629837070.db2.gz AWHUXQVCZUGKRA-ZMBJWTFHSA-N 1 0 302.462 3.250 20 10 DGCDRO CN(C)c1ccc(/C=C\CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000835055198 629838605 /nfs/dbraw/zinc/83/86/05/629838605.db2.gz WTVSNQAUBDQFMH-SREVYHEPSA-N 1 0 313.489 3.372 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1 ZINC000835061775 629841331 /nfs/dbraw/zinc/84/13/31/629841331.db2.gz OBZIOKDTNPDMKY-LJQANCHMSA-N 1 0 317.477 3.071 20 10 DGCDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(N(C)C)cc1 ZINC000835076791 629845034 /nfs/dbraw/zinc/84/50/34/629845034.db2.gz LQAPOMZGEIDIKO-UHFFFAOYSA-N 1 0 300.450 3.144 20 10 DGCDRO CCn1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)n1 ZINC000840839988 630365344 /nfs/dbraw/zinc/36/53/44/630365344.db2.gz CMMGCJVVSXRSEP-JTQLQIEISA-N 1 0 324.222 3.222 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)Cc2ccccc2)c(Cl)c1 ZINC000840884721 630372241 /nfs/dbraw/zinc/37/22/41/630372241.db2.gz PYKJLIOGJXJNRP-OAHLLOKOSA-N 1 0 319.832 3.295 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccccc2)c(Cl)c1 ZINC000840897109 630374418 /nfs/dbraw/zinc/37/44/18/630374418.db2.gz JNUANPLFPVKADQ-KRWDZBQOSA-N 1 0 305.805 3.351 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000840895166 630374727 /nfs/dbraw/zinc/37/47/27/630374727.db2.gz WAHXZJCXNCKPCW-HOCLYGCPSA-N 1 0 312.461 3.441 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(Cl)c1 ZINC000840923794 630378859 /nfs/dbraw/zinc/37/88/59/630378859.db2.gz VSJQMEBVEUDVEL-ZDUSSCGKSA-N 1 0 319.836 3.152 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000840931086 630380122 /nfs/dbraw/zinc/38/01/22/630380122.db2.gz RXNQTYYMELVZSZ-GOSISDBHSA-N 1 0 312.457 3.002 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@H](O)c1ccc(F)cc1 ZINC000840934763 630380518 /nfs/dbraw/zinc/38/05/18/630380518.db2.gz XCGBHNBXCRDVMF-KUHUBIRLSA-N 1 0 316.420 3.412 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)Cc2ccccc2)c(Cl)c1 ZINC000840936718 630380648 /nfs/dbraw/zinc/38/06/48/630380648.db2.gz DEIJVHLFBOJDAU-CQSZACIVSA-N 1 0 305.805 3.047 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000840946074 630381956 /nfs/dbraw/zinc/38/19/56/630381956.db2.gz DZOYMFDQMNHWLS-ZWKOTPCHSA-N 1 0 302.462 3.450 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000840948624 630382453 /nfs/dbraw/zinc/38/24/53/630382453.db2.gz HCKCYUSHNDXKHO-IBGZPJMESA-N 1 0 314.473 3.452 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000840947816 630382496 /nfs/dbraw/zinc/38/24/96/630382496.db2.gz MQEISMXRMCGGPH-OAQYLSRUSA-N 1 0 324.468 3.197 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000840951328 630383435 /nfs/dbraw/zinc/38/34/35/630383435.db2.gz WJGASZROOIXABG-TVQRCGJNSA-N 1 0 323.742 3.099 20 10 DGCDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000840956309 630384881 /nfs/dbraw/zinc/38/48/81/630384881.db2.gz MZDRRYOQHOLTIV-SJORKVTESA-N 1 0 313.397 3.099 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1C ZINC000840963099 630387571 /nfs/dbraw/zinc/38/75/71/630387571.db2.gz LDISTTUHSRUUJI-INIZCTEOSA-N 1 0 303.377 3.008 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H]1CC1(F)F ZINC000840968838 630388132 /nfs/dbraw/zinc/38/81/32/630388132.db2.gz VLCIHPDWHQJUQL-GMSGAONNSA-N 1 0 306.150 3.288 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1 ZINC000840969419 630388074 /nfs/dbraw/zinc/38/80/74/630388074.db2.gz IVKUORAMVDKFOZ-KRWDZBQOSA-N 1 0 305.418 3.038 20 10 DGCDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2c(O)cccc2OC)c1 ZINC000840973399 630389595 /nfs/dbraw/zinc/38/95/95/630389595.db2.gz LSLXOEHGWKXSNC-HOCLYGCPSA-N 1 0 313.397 3.303 20 10 DGCDRO CC[C@@](C[NH2+]Cc1ccccc1O)(C(=O)OC)c1ccccc1 ZINC000840977198 630390179 /nfs/dbraw/zinc/39/01/79/630390179.db2.gz GGUJHBZHUJIYKZ-IBGZPJMESA-N 1 0 313.397 3.003 20 10 DGCDRO CCOc1ccc(C[NH2+]CC(C)(C)c2cccnc2)c(O)c1 ZINC000840975470 630390372 /nfs/dbraw/zinc/39/03/72/630390372.db2.gz OHVLFEGQUIDHNO-UHFFFAOYSA-N 1 0 300.402 3.253 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840975547 630390479 /nfs/dbraw/zinc/39/04/79/630390479.db2.gz HVKJNHVMIAQCPU-OAHLLOKOSA-N 1 0 313.445 3.191 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000840976814 630390632 /nfs/dbraw/zinc/39/06/32/630390632.db2.gz GKDSMMKZHVIADG-QGZVFWFLSA-N 1 0 313.420 3.260 20 10 DGCDRO CCOc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1OCC ZINC000841034003 630399098 /nfs/dbraw/zinc/39/90/98/630399098.db2.gz FCPKVIVWAJOISD-UHFFFAOYSA-N 1 0 314.429 3.399 20 10 DGCDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCc1ccc(N)cc1 ZINC000841033851 630399132 /nfs/dbraw/zinc/39/91/32/630399132.db2.gz CCPLJRSFMKXOLP-AWEZNQCLSA-N 1 0 308.429 3.299 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccc(N)cc2)c(OC(F)F)c1 ZINC000841035796 630399898 /nfs/dbraw/zinc/39/98/98/630399898.db2.gz OKLBMWCPACPHNF-UHFFFAOYSA-N 1 0 322.355 3.211 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2ccc(N)cc2)ccc1OC ZINC000841036577 630400087 /nfs/dbraw/zinc/40/00/87/630400087.db2.gz WGBZBHUPHBQSON-UHFFFAOYSA-N 1 0 314.429 3.146 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CN)C2CCCCC2)cc1 ZINC000841039399 630400745 /nfs/dbraw/zinc/40/07/45/630400745.db2.gz NLVOZRPHMKQYNE-LIXSYLKWSA-N 1 0 301.478 3.263 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cscc2Cl)cc1 ZINC000841045190 630401120 /nfs/dbraw/zinc/40/11/20/630401120.db2.gz JEUPGDZZGAFDQX-HNNXBMFYSA-N 1 0 309.866 3.257 20 10 DGCDRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045532 630402066 /nfs/dbraw/zinc/40/20/66/630402066.db2.gz MKZQKWLUGHQZAA-IUODEOHRSA-N 1 0 317.399 3.463 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cccc3c2CCCN3)c1O ZINC000841084340 630406047 /nfs/dbraw/zinc/40/60/47/630406047.db2.gz XXASYXBOHDNDDA-UHFFFAOYSA-N 1 0 312.413 3.439 20 10 DGCDRO CCc1ccccc1[C@H](N)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841086840 630406228 /nfs/dbraw/zinc/40/62/28/630406228.db2.gz NGLZAARRNNBYHI-GOSISDBHSA-N 1 0 315.436 3.244 20 10 DGCDRO [NH3+]CC[C@@H](NCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000841090982 630406637 /nfs/dbraw/zinc/40/66/37/630406637.db2.gz SWHHYINGMWGRLU-OAHLLOKOSA-N 1 0 315.383 3.046 20 10 DGCDRO NC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000841087785 630406736 /nfs/dbraw/zinc/40/67/36/630406736.db2.gz PJQIPVKCFCRURC-IBGZPJMESA-N 1 0 301.478 3.284 20 10 DGCDRO [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1c1cccc(F)c1 ZINC000841103008 630408475 /nfs/dbraw/zinc/40/84/75/630408475.db2.gz CPROUDBIRSZNLB-JKSUJKDBSA-N 1 0 320.795 3.111 20 10 DGCDRO Cc1cc(O)c(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1C ZINC000841103007 630408519 /nfs/dbraw/zinc/40/85/19/630408519.db2.gz COUYZCUDLSEQAF-ZWKOTPCHSA-N 1 0 314.404 3.075 20 10 DGCDRO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841746259 630461632 /nfs/dbraw/zinc/46/16/32/630461632.db2.gz XBWPRYYRKREOSU-BZNIZROVSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(Cl)cc1O ZINC000841745511 630461636 /nfs/dbraw/zinc/46/16/36/630461636.db2.gz ZDZOSOKRIWXNIH-GXTWGEPZSA-N 1 0 321.804 3.136 20 10 DGCDRO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841746261 630461714 /nfs/dbraw/zinc/46/17/14/630461714.db2.gz XBWPRYYRKREOSU-ZBEGNZNMSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(Cl)cc1O ZINC000841745513 630461856 /nfs/dbraw/zinc/46/18/56/630461856.db2.gz ZDZOSOKRIWXNIH-OCCSQVGLSA-N 1 0 321.804 3.136 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)c(O)c1 ZINC000841761117 630462782 /nfs/dbraw/zinc/46/27/82/630462782.db2.gz DJGYDYNWNIRFHW-HNNXBMFYSA-N 1 0 321.461 3.227 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000841760758 630462814 /nfs/dbraw/zinc/46/28/14/630462814.db2.gz YQUTYPIOOVVVLH-DHSIGJKJSA-N 1 0 306.425 3.380 20 10 DGCDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)cc1O ZINC000841759687 630462851 /nfs/dbraw/zinc/46/28/51/630462851.db2.gz PJHDAKUMMHNIFG-LZVXQISVSA-N 1 0 303.789 3.355 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)cc1 ZINC000841764936 630463188 /nfs/dbraw/zinc/46/31/88/630463188.db2.gz JWLVAZMFYYFSLG-UKRRQHHQSA-N 1 0 311.420 3.133 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)c(O)c1C ZINC000841762175 630463325 /nfs/dbraw/zinc/46/33/25/630463325.db2.gz NDAJKZTWSZXAQT-OAHLLOKOSA-N 1 0 321.461 3.227 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(Cl)cc1O ZINC000841763099 630463379 /nfs/dbraw/zinc/46/33/79/630463379.db2.gz URXBLBIFPOZPKF-MWLCHTKSSA-N 1 0 304.768 3.036 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC(F)F)C2)c2c1c(F)ccc2O ZINC000841765370 630463766 /nfs/dbraw/zinc/46/37/66/630463766.db2.gz RCBXEVXYDDIVRJ-JFGNBEQYSA-N 1 0 314.351 3.009 20 10 DGCDRO CCn1cncc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000841831690 630470083 /nfs/dbraw/zinc/47/00/83/630470083.db2.gz YMWADONKRXTHJP-UHFFFAOYSA-N 1 0 300.450 3.380 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1 ZINC000841891464 630473594 /nfs/dbraw/zinc/47/35/94/630473594.db2.gz PZTFLPQHPWFCIO-RHNCMZPLSA-N 1 0 316.470 3.388 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2COc2cccnc2C)c1O ZINC000841895369 630474189 /nfs/dbraw/zinc/47/41/89/630474189.db2.gz DFHQZMFPODHCFD-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2COc2cccnc2C)c1O ZINC000841895371 630474226 /nfs/dbraw/zinc/47/42/26/630474226.db2.gz DFHQZMFPODHCFD-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO CCC[N@H+](CC[S@@](=O)c1ccccc1)Cc1ccccc1O ZINC000104682349 630507560 /nfs/dbraw/zinc/50/75/60/630507560.db2.gz AYZJXVYJRWZMQB-QFIPXVFZSA-N 1 0 317.454 3.412 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000842623661 630555074 /nfs/dbraw/zinc/55/50/74/630555074.db2.gz XSFCBGDXBRUZHT-DYVFJYSZSA-N 1 0 319.445 3.309 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c1O ZINC000842644913 630557753 /nfs/dbraw/zinc/55/77/53/630557753.db2.gz IXTGDNGTDAZLSE-AWEZNQCLSA-N 1 0 305.418 3.243 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccccc3F)CCC1)OCO2 ZINC000842746976 630571020 /nfs/dbraw/zinc/57/10/20/630571020.db2.gz GWSIPNVCKTTXOZ-UHFFFAOYSA-N 1 0 315.344 3.429 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)c2c1c(F)ccc2O ZINC000842894847 630591446 /nfs/dbraw/zinc/59/14/46/630591446.db2.gz IRCKGJAZZSZERU-IAQYHMDHSA-N 1 0 301.361 3.362 20 10 DGCDRO CCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000843044168 630607481 /nfs/dbraw/zinc/60/74/81/630607481.db2.gz GAKAYBKVSLVABR-WAYWQWQTSA-N 1 0 301.478 3.230 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843043927 630607841 /nfs/dbraw/zinc/60/78/41/630607841.db2.gz DCBWPCBMTLGFBX-MJGOQNOKSA-N 1 0 301.478 3.025 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(CN2CC[C@H]([NH3+])C2)cc1 ZINC000843046823 630608333 /nfs/dbraw/zinc/60/83/33/630608333.db2.gz DQIFJWXOEHPRFB-IBGZPJMESA-N 1 0 309.457 3.246 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000843054101 630609097 /nfs/dbraw/zinc/60/90/97/630609097.db2.gz CYWITHVKMXZXMG-ONEGZZNKSA-N 1 0 313.489 3.230 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c(C(F)(F)F)c1 ZINC000843055929 630609522 /nfs/dbraw/zinc/60/95/22/630609522.db2.gz ANZRPWNAVLIJFQ-UHFFFAOYSA-N 1 0 317.399 3.188 20 10 DGCDRO Oc1ccccc1CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000843115135 630615258 /nfs/dbraw/zinc/61/52/58/630615258.db2.gz NSPSTALLWBDMMC-MRXNPFEDSA-N 1 0 302.805 3.192 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc(-c2ccccc2)no1 ZINC000843350199 630648770 /nfs/dbraw/zinc/64/87/70/630648770.db2.gz OZLBUSRSFNFKIE-UHFFFAOYSA-N 1 0 320.396 3.148 20 10 DGCDRO Oc1c(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)ccc2ccccc21 ZINC000843414533 630653464 /nfs/dbraw/zinc/65/34/64/630653464.db2.gz HWBSLPOHCAXOAF-INIZCTEOSA-N 1 0 320.396 3.022 20 10 DGCDRO Cc1cccc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c1O ZINC000843418313 630654865 /nfs/dbraw/zinc/65/48/65/630654865.db2.gz BGBDQKQQNNEPJS-UHFFFAOYSA-N 1 0 307.296 3.312 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCO[C@]3(CCSC3)C2)c1O ZINC000843418770 630655003 /nfs/dbraw/zinc/65/50/03/630655003.db2.gz YINNRCKXHJNDPE-OAHLLOKOSA-N 1 0 313.850 3.062 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c1O ZINC000843432678 630658169 /nfs/dbraw/zinc/65/81/69/630658169.db2.gz HLRHHHYCOPYMLU-GOSISDBHSA-N 1 0 319.445 3.234 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c1 ZINC000843433424 630658308 /nfs/dbraw/zinc/65/83/08/630658308.db2.gz YFAPFXCDKPVLBG-GOSISDBHSA-N 1 0 319.445 3.234 20 10 DGCDRO CCc1nc(C)c(C[N@H+](C)CCN(C)c2ccc(OC)cc2)o1 ZINC000844402985 630724888 /nfs/dbraw/zinc/72/48/88/630724888.db2.gz YQXITNZSJCIEMI-UHFFFAOYSA-N 1 0 317.433 3.122 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CNc3ccccc3C2)cc1 ZINC000844906961 630973279 /nfs/dbraw/zinc/97/32/79/630973279.db2.gz XBHYZYYKXCVALT-QWNKOJSDSA-N 1 0 307.441 3.392 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CNc3ccccc3C2)cc1 ZINC000844906959 630973364 /nfs/dbraw/zinc/97/33/64/630973364.db2.gz XBHYZYYKXCVALT-OOFWQKGWSA-N 1 0 307.441 3.392 20 10 DGCDRO COc1cc(F)c(C[NH2+]Cc2ccc3c(c2)CCO3)cc1OC ZINC000845929007 631202595 /nfs/dbraw/zinc/20/25/95/631202595.db2.gz JDMMHFOBLBXBEE-UHFFFAOYSA-N 1 0 317.360 3.068 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)c1 ZINC000845970639 631204186 /nfs/dbraw/zinc/20/41/86/631204186.db2.gz AXKYLRKDEJWWDD-JHZZJYKESA-N 1 0 305.418 3.255 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccn(C(C)C)n2)c1 ZINC000845973093 631204303 /nfs/dbraw/zinc/20/43/03/631204303.db2.gz XAYNPNWYUCMRFI-KGLIPLIRSA-N 1 0 317.433 3.460 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1 ZINC000846013045 631206000 /nfs/dbraw/zinc/20/60/00/631206000.db2.gz JIGIYTPTGDVCGV-PZROIBLQSA-N 1 0 319.376 3.313 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c1O ZINC000846034696 631207148 /nfs/dbraw/zinc/20/71/48/631207148.db2.gz BMZPQCRJGIPVOV-AUUYWEPGSA-N 1 0 315.413 3.177 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)cc1OC ZINC000846035577 631207279 /nfs/dbraw/zinc/20/72/79/631207279.db2.gz HDWXSXFUSXQTEP-LSDHHAIUSA-N 1 0 317.788 3.204 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c(O)c1 ZINC000846039246 631207605 /nfs/dbraw/zinc/20/76/05/631207605.db2.gz PZRPHYZVIJPBKZ-LIRRHRJNSA-N 1 0 315.413 3.177 20 10 DGCDRO CC[C@H]1C[C@@H](C[N@H+](C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000846051294 631208376 /nfs/dbraw/zinc/20/83/76/631208376.db2.gz FGAGJWARPXPFMS-WMZOPIPTSA-N 1 0 320.477 3.268 20 10 DGCDRO COc1cc2c(cc1C[NH2+]Cc1cc(Cl)ccc1O)OCO2 ZINC000846054512 631208427 /nfs/dbraw/zinc/20/84/27/631208427.db2.gz CWVRXDWCUOFOFB-UHFFFAOYSA-N 1 0 321.760 3.073 20 10 DGCDRO C[C@H](COCC1CC1)[NH2+]Cc1cc(Br)ccc1O ZINC000846072823 631209285 /nfs/dbraw/zinc/20/92/85/631209285.db2.gz IHKCZSFBTUYJHA-SNVBAGLBSA-N 1 0 314.223 3.059 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](c2ccccc2)N(C)C)c1O ZINC000846135126 631211351 /nfs/dbraw/zinc/21/13/51/631211351.db2.gz BJKMDNGNDKUQPH-RHSMWYFYSA-N 1 0 314.429 3.354 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCCC2)c1O ZINC000846138627 631211377 /nfs/dbraw/zinc/21/13/77/631211377.db2.gz LSQXLWMMBXQIPX-HOCLYGCPSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c1O ZINC000846138224 631211382 /nfs/dbraw/zinc/21/13/82/631211382.db2.gz ZLRBYJOXGCXMBS-WFASDCNBSA-N 1 0 320.458 3.416 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)c1O ZINC000846139945 631211598 /nfs/dbraw/zinc/21/15/98/631211598.db2.gz BWPXKSLTUNWGDL-GFCCVEGCSA-N 1 0 314.385 3.210 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1O ZINC000846141790 631211635 /nfs/dbraw/zinc/21/16/35/631211635.db2.gz STNUFADOHOZFDB-ZDUSSCGKSA-N 1 0 316.401 3.434 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccc(F)cc2)c1O ZINC000846144616 631211793 /nfs/dbraw/zinc/21/17/93/631211793.db2.gz MQKNBTBDCJWQCS-GFCCVEGCSA-N 1 0 305.349 3.270 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)c1O ZINC000846154005 631212529 /nfs/dbraw/zinc/21/25/29/631212529.db2.gz IMIIJTLEYDOLRW-XHDPSFHLSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1O ZINC000846157120 631212591 /nfs/dbraw/zinc/21/25/91/631212591.db2.gz AIQFOCRJWJLODR-UONOGXRCSA-N 1 0 321.417 3.127 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c1O ZINC000846159534 631212776 /nfs/dbraw/zinc/21/27/76/631212776.db2.gz PYAZUFMBYSYEHZ-LBPRGKRZSA-N 1 0 317.433 3.035 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)c1O ZINC000846158159 631212848 /nfs/dbraw/zinc/21/28/48/631212848.db2.gz UEOLTCAMNOIGOM-GHMZBOCLSA-N 1 0 304.390 3.460 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CO)CC2CCCC2)c1O ZINC000846166846 631213252 /nfs/dbraw/zinc/21/32/52/631213252.db2.gz DMPVKISMFKRAMG-UKRRQHHQSA-N 1 0 307.434 3.240 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c1O ZINC000846166856 631213261 /nfs/dbraw/zinc/21/32/61/631213261.db2.gz DPFCMSMXYOJRAL-XJKSGUPXSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)C2(O)CCCC2)c1O ZINC000846169781 631213373 /nfs/dbraw/zinc/21/33/73/631213373.db2.gz UCQJVTRKZMCVLY-ZDUSSCGKSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c1O ZINC000846171730 631213455 /nfs/dbraw/zinc/21/34/55/631213455.db2.gz VXGPXIZRQJQSBK-UKRRQHHQSA-N 1 0 307.434 3.240 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COc3c(C)cccc3C2)c1O ZINC000846174489 631213543 /nfs/dbraw/zinc/21/35/43/631213543.db2.gz WVFYWXPZEHDURD-ZFWWWQNUSA-N 1 0 313.397 3.364 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c1O ZINC000846173317 631213605 /nfs/dbraw/zinc/21/36/05/631213605.db2.gz RBNRFVOOALFJGD-BXUZGUMPSA-N 1 0 317.360 3.194 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1cc(F)ccc1O ZINC000846181530 631213791 /nfs/dbraw/zinc/21/37/91/631213791.db2.gz ZSNPFQUZOGGCIL-DJJJIMSYSA-N 1 0 315.388 3.058 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846183456 631214120 /nfs/dbraw/zinc/21/41/20/631214120.db2.gz OKNBCNHSEDDZEW-XWCIJXRUSA-N 1 0 319.376 3.313 20 10 DGCDRO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1F ZINC000846185115 631214214 /nfs/dbraw/zinc/21/42/14/631214214.db2.gz ZTMNXRNBGYJHMJ-RVPKQNPDSA-N 1 0 307.340 3.443 20 10 DGCDRO OC[C@H](CCF)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000846210027 631214946 /nfs/dbraw/zinc/21/49/46/631214946.db2.gz WFFPZWYUZGWFSF-WMZOPIPTSA-N 1 0 317.404 3.376 20 10 DGCDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)C1=CC(=O)CS1 ZINC000846654950 631280195 /nfs/dbraw/zinc/28/01/95/631280195.db2.gz LRCPJOAEKVACKI-UHFFFAOYSA-N 1 0 310.463 3.228 20 10 DGCDRO CC[N@H+](CCCNC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000846657907 631280291 /nfs/dbraw/zinc/28/02/91/631280291.db2.gz HULZJTUFWPVJEN-UHFFFAOYSA-N 1 0 310.463 3.228 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCCc2cncn2C)C2CC2)cc1 ZINC000846775863 631302424 /nfs/dbraw/zinc/30/24/24/631302424.db2.gz DDYPXUTWXCSRIJ-UHFFFAOYSA-N 1 0 312.461 3.083 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2noc3ccccc23)c1 ZINC000846844475 631326403 /nfs/dbraw/zinc/32/64/03/631326403.db2.gz NDYYPEJEKFJAHJ-GFCCVEGCSA-N 1 0 312.369 3.435 20 10 DGCDRO Cc1cc(C[N@@H+](C[C@H](C)O)C2CC2)ccc1N1CCCCC1 ZINC000847095428 631403644 /nfs/dbraw/zinc/40/36/44/631403644.db2.gz BREQELQIYSPKEJ-INIZCTEOSA-N 1 0 302.462 3.331 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c1O ZINC000848560699 631692863 /nfs/dbraw/zinc/69/28/63/631692863.db2.gz QEBKDESEMIYJFF-DOTOQJQBSA-N 1 0 305.418 3.228 20 10 DGCDRO Fc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1F ZINC000107711965 631704069 /nfs/dbraw/zinc/70/40/69/631704069.db2.gz CWHKDCBEALTERR-UHFFFAOYSA-N 1 0 318.367 3.091 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(C(=O)N(CC)CC)CC2)c1O ZINC000848883746 631770350 /nfs/dbraw/zinc/77/03/50/631770350.db2.gz RYORKXSIZHRDAT-UHFFFAOYSA-N 1 0 318.461 3.035 20 10 DGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000848883470 631770379 /nfs/dbraw/zinc/77/03/79/631770379.db2.gz FQTWJCFFNAKQHH-OAHLLOKOSA-N 1 0 318.461 3.083 20 10 DGCDRO CCc1cccc(C[NH2+]CCOc2ccccc2OC)c1O ZINC000848891024 631774517 /nfs/dbraw/zinc/77/45/17/631774517.db2.gz NAITTYXYDRPXHZ-UHFFFAOYSA-N 1 0 301.386 3.132 20 10 DGCDRO CCc1cccc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1O ZINC000848895449 631776571 /nfs/dbraw/zinc/77/65/71/631776571.db2.gz USWICOOHMFBCJU-UHFFFAOYSA-N 1 0 318.461 3.081 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)c1O ZINC000848896498 631777865 /nfs/dbraw/zinc/77/78/65/631777865.db2.gz BQFUMVDHCASCPR-YVEFUNNKSA-N 1 0 303.377 3.305 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000848898850 631779069 /nfs/dbraw/zinc/77/90/69/631779069.db2.gz ZFXRVTBWAMGMJH-SJKOYZFVSA-N 1 0 303.377 3.305 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000848913251 631783781 /nfs/dbraw/zinc/78/37/81/631783781.db2.gz SKYMMUGNWYXYJY-SJLPKXTDSA-N 1 0 301.430 3.488 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2cn3c(cccc3C)n2)c1O ZINC000848919205 631786329 /nfs/dbraw/zinc/78/63/29/631786329.db2.gz HLHJARAZLGIFSR-UHFFFAOYSA-N 1 0 309.413 3.243 20 10 DGCDRO CCc1cccc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c1O ZINC000848919234 631786661 /nfs/dbraw/zinc/78/66/61/631786661.db2.gz IEPOPKXSLXYEPE-HXUWFJFHSA-N 1 0 311.425 3.220 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2ccccc2NC1=O ZINC000848922091 631788437 /nfs/dbraw/zinc/78/84/37/631788437.db2.gz LYJMTGAWYCAWMQ-IBGZPJMESA-N 1 0 323.440 3.104 20 10 DGCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(F)ccc1O ZINC000848927453 631791025 /nfs/dbraw/zinc/79/10/25/631791025.db2.gz FOSKOKFTQDTGTD-CQSZACIVSA-N 1 0 303.333 3.153 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H]1CCCCO1 ZINC000848928017 631792545 /nfs/dbraw/zinc/79/25/45/631792545.db2.gz UETBHCFYEKCMMF-UONOGXRCSA-N 1 0 313.825 3.492 20 10 DGCDRO Cc1ccc(CNC(=[NH2+])NCCCSc2nccs2)cc1 ZINC000849100767 631836085 /nfs/dbraw/zinc/83/60/85/631836085.db2.gz AAUPOKJYGVDMBS-UHFFFAOYSA-N 1 0 320.487 3.248 20 10 DGCDRO CN(C)c1ccc(CNCC2([NH3+])CCCC2)c(C(F)(F)F)c1 ZINC000849349611 631900699 /nfs/dbraw/zinc/90/06/99/631900699.db2.gz CMSKGMFQWGTNMB-UHFFFAOYSA-N 1 0 315.383 3.133 20 10 DGCDRO COc1cc(C[NH2+]CCc2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000850006352 632026709 /nfs/dbraw/zinc/02/67/09/632026709.db2.gz WRYPFHPOFJSCIX-UHFFFAOYSA-N 1 0 314.429 3.426 20 10 DGCDRO COc1cc(C[NH2+]CC(C)(C)N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850006658 632026884 /nfs/dbraw/zinc/02/68/84/632026884.db2.gz ASOUPCWGAHAQKY-UHFFFAOYSA-N 1 0 308.466 3.128 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)Cn2ccnc2)c(O)c(C(C)(C)C)c1 ZINC000850029948 632033183 /nfs/dbraw/zinc/03/31/83/632033183.db2.gz FRVSCMLEFWNLRE-ZDUSSCGKSA-N 1 0 317.433 3.073 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnn3c2CCC3)cc1F ZINC000850128525 632061738 /nfs/dbraw/zinc/06/17/38/632061738.db2.gz DBTCAQJCAFBMAC-UHFFFAOYSA-N 1 0 316.424 3.104 20 10 DGCDRO COc1cc(C[NH2+]CC2(O)CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850131363 632062781 /nfs/dbraw/zinc/06/27/81/632062781.db2.gz SVFOGJQWGYAKAB-UHFFFAOYSA-N 1 0 307.434 3.093 20 10 DGCDRO COc1cc(C[NH2+]C[C@]2(C)CCCO2)c(O)c(C(C)(C)C)c1 ZINC000850182521 632075038 /nfs/dbraw/zinc/07/50/38/632075038.db2.gz IFYPBYNYBDSDGV-SFHVURJKSA-N 1 0 307.434 3.357 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850315689 632111441 /nfs/dbraw/zinc/11/14/41/632111441.db2.gz JDODTCBJKXGNDT-HZPDHXFCSA-N 1 0 307.434 3.355 20 10 DGCDRO CCOc1ccc(C[NH2+]CCc2noc3ccccc23)c(O)c1 ZINC000850341797 632118329 /nfs/dbraw/zinc/11/83/29/632118329.db2.gz DXVWWAILUYLTFR-UHFFFAOYSA-N 1 0 312.369 3.264 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(F)cc3F)C2)cc1 ZINC000850345600 632120260 /nfs/dbraw/zinc/12/02/60/632120260.db2.gz FVSUVICFHBGTCG-HNNXBMFYSA-N 1 0 318.367 3.342 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@@H](C)SC3)C2)cc1 ZINC000850347661 632120655 /nfs/dbraw/zinc/12/06/55/632120655.db2.gz VOVMADMBHFQTHF-ILXRZTDVSA-N 1 0 306.475 3.148 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc4cccnc4o3)C2)cc1 ZINC000850347810 632120668 /nfs/dbraw/zinc/12/06/68/632120668.db2.gz XZYVPKCYESVHMN-OAHLLOKOSA-N 1 0 323.396 3.205 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cncc(F)c3)C2)cc1 ZINC000850347336 632120850 /nfs/dbraw/zinc/12/08/50/632120850.db2.gz QJWXYMCDMPZMCL-XJKSGUPXSA-N 1 0 315.392 3.159 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cccnc2N2CCCC2)cc1C ZINC000850352556 632122918 /nfs/dbraw/zinc/12/29/18/632122918.db2.gz AKHDCJMDLCTLJB-UHFFFAOYSA-N 1 0 311.429 3.294 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)ccc1OC ZINC000850379692 632133440 /nfs/dbraw/zinc/13/34/40/632133440.db2.gz VLHGFFDOUOHJOH-YOEHRIQHSA-N 1 0 307.434 3.279 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c1O ZINC000850412269 632144520 /nfs/dbraw/zinc/14/45/20/632144520.db2.gz VICIHGLBJAZJGX-YOEHRIQHSA-N 1 0 315.413 3.045 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850419850 632146923 /nfs/dbraw/zinc/14/69/23/632146923.db2.gz HZKXGZLGJDRDLA-ADELNMMNSA-N 1 0 310.441 3.478 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)C3(OC)CCC3)C2)cc1 ZINC000850475292 632164149 /nfs/dbraw/zinc/16/41/49/632164149.db2.gz YXQGEDFSZUUNDS-HOTGVXAUSA-N 1 0 318.461 3.069 20 10 DGCDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487906 632168602 /nfs/dbraw/zinc/16/86/02/632168602.db2.gz JZUGMPUTZZSALQ-FRQCXROJSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000850489185 632168657 /nfs/dbraw/zinc/16/86/57/632168657.db2.gz WGENMJRGCYZOIY-HUUCEWRRSA-N 1 0 306.475 3.149 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cccc(O)c3)C2)cc1 ZINC000850488927 632168731 /nfs/dbraw/zinc/16/87/31/632168731.db2.gz POUKXFWLKAFXAW-HOCLYGCPSA-N 1 0 312.413 3.330 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C1CCOCC1 ZINC000850494742 632170596 /nfs/dbraw/zinc/17/05/96/632170596.db2.gz XURQAPUUXAFVDH-NHYWBVRUSA-N 1 0 313.825 3.138 20 10 DGCDRO CC[C@H]([NH2+][C@H](COC)C1CCOCC1)c1ccc(C)cc1O ZINC000850494746 632170617 /nfs/dbraw/zinc/17/06/17/632170617.db2.gz XXXJSMFCZAMDEU-DLBZAZTESA-N 1 0 307.434 3.183 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cc2c(cc1O)CCCC2 ZINC000850499606 632172342 /nfs/dbraw/zinc/17/23/42/632172342.db2.gz SPWWDTMQZUGBQJ-MQIPJXDCSA-N 1 0 312.417 3.219 20 10 DGCDRO COC(=O)c1nc(C[NH2+][C@@H](C)c2ccccc2O)ccc1Cl ZINC000850515102 632175928 /nfs/dbraw/zinc/17/59/28/632175928.db2.gz ZOQFECBIFUTCBG-JTQLQIEISA-N 1 0 320.776 3.078 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000850516016 632177002 /nfs/dbraw/zinc/17/70/02/632177002.db2.gz JRWHKVRGMLHTQK-CVEARBPZSA-N 1 0 302.462 3.489 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3cc(F)ccc3C2)c1 ZINC000850536093 632185819 /nfs/dbraw/zinc/18/58/19/632185819.db2.gz BREUQXCGFAPQEO-SMDDNHRTSA-N 1 0 317.360 3.194 20 10 DGCDRO C[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1ccc(F)cc1[O-] ZINC000850537479 632185848 /nfs/dbraw/zinc/18/58/48/632185848.db2.gz QSWGTAZXLZJTME-QMTHXVAHSA-N 1 0 305.324 3.325 20 10 DGCDRO Cc1cncc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000850548779 632189012 /nfs/dbraw/zinc/18/90/12/632189012.db2.gz AANVRQIIWRZDFK-GFCCVEGCSA-N 1 0 305.809 3.346 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)c1O ZINC000850552422 632190165 /nfs/dbraw/zinc/19/01/65/632190165.db2.gz WTHOJPAKRGQDBY-GFCCVEGCSA-N 1 0 315.417 3.253 20 10 DGCDRO CNC(=O)CC1(C[NH2+][C@H](C)c2ccc(C)cc2O)CCCCC1 ZINC000850556641 632192125 /nfs/dbraw/zinc/19/21/25/632192125.db2.gz RRRFNUGZUYUUBV-OAHLLOKOSA-N 1 0 318.461 3.438 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850558879 632193658 /nfs/dbraw/zinc/19/36/58/632193658.db2.gz VAKMKBJBWVOOJM-HUUCEWRRSA-N 1 0 317.477 3.050 20 10 DGCDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567921 632196423 /nfs/dbraw/zinc/19/64/23/632196423.db2.gz MFABOQCDKKMWLM-HNNXBMFYSA-N 1 0 302.462 3.316 20 10 DGCDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566831 632196726 /nfs/dbraw/zinc/19/67/26/632196726.db2.gz TUMBHMYDBNHKHF-GFCCVEGCSA-N 1 0 316.367 3.078 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000850568275 632196739 /nfs/dbraw/zinc/19/67/39/632196739.db2.gz UKDVRWIBMIDXJC-IBGZPJMESA-N 1 0 302.462 3.316 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000850566513 632196819 /nfs/dbraw/zinc/19/68/19/632196819.db2.gz OOIQCXRRRPKPQZ-LJQANCHMSA-N 1 0 302.462 3.172 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1cc(F)ccc1O ZINC000850572132 632198230 /nfs/dbraw/zinc/19/82/30/632198230.db2.gz BLNMGQLIYQCCLZ-LXIYXOSZSA-N 1 0 303.377 3.347 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc3ccccc3n2)cc1 ZINC000851720170 632474560 /nfs/dbraw/zinc/47/45/60/632474560.db2.gz BPVQKNNHCGDUGS-UHFFFAOYSA-N 1 0 306.413 3.328 20 10 DGCDRO CO[C@H](C[N@H+](Cc1ccccc1O)C1CCCC1)[C@@H]1CCOC1 ZINC000851771899 632489454 /nfs/dbraw/zinc/48/94/54/632489454.db2.gz RDGHRRDRPPCDLB-VQIMIIECSA-N 1 0 319.445 3.188 20 10 DGCDRO Cc1cccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1O ZINC000184788898 660186389 /nfs/dbraw/zinc/18/63/89/660186389.db2.gz MUPLBLAIMAWTAY-LJQANCHMSA-N 1 0 311.425 3.474 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2OC)c1 ZINC000184861466 660192030 /nfs/dbraw/zinc/19/20/30/660192030.db2.gz PKBYEWSTTJIHEA-CYBMUJFWSA-N 1 0 301.386 3.303 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCc3ccccc3C2)c1 ZINC000184923639 660195509 /nfs/dbraw/zinc/19/55/09/660195509.db2.gz VJSDDBJNYVZOMM-MRXNPFEDSA-N 1 0 310.441 3.410 20 10 DGCDRO COCC1=CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000185031028 660198767 /nfs/dbraw/zinc/19/87/67/660198767.db2.gz BLZDVENISDXYSA-UHFFFAOYSA-N 1 0 319.445 3.477 20 10 DGCDRO COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)C2 ZINC000185334715 660215568 /nfs/dbraw/zinc/21/55/68/660215568.db2.gz BHRHPJRVPOOGAD-UKRRQHHQSA-N 1 0 313.397 3.364 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000185531530 660227299 /nfs/dbraw/zinc/22/72/99/660227299.db2.gz QWBGWQBSOZDKOI-XCRHUMRWSA-N 1 0 303.446 3.473 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Br)cc1O ZINC000185460438 660224521 /nfs/dbraw/zinc/22/45/21/660224521.db2.gz IOFRPKJOJZYGDP-PFEFGLNJSA-N 1 0 312.207 3.125 20 10 DGCDRO C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000044757763 658926571 /nfs/dbraw/zinc/92/65/71/658926571.db2.gz CXYRQGSZNVCBGG-UHFFFAOYSA-N 1 0 307.296 3.031 20 10 DGCDRO C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1cc(F)ccc1O ZINC000186033347 660262152 /nfs/dbraw/zinc/26/21/52/660262152.db2.gz GSWBSCGKOGLIHC-CYBMUJFWSA-N 1 0 322.424 3.269 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cc(F)ccc1O ZINC000186148104 660270213 /nfs/dbraw/zinc/27/02/13/660270213.db2.gz ZRVABIVGMVORPY-ZJNRKIDTSA-N 1 0 303.377 3.174 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cc(F)ccc1O ZINC000186095346 660266214 /nfs/dbraw/zinc/26/62/14/660266214.db2.gz IBPJDTUOGOCYCO-WIUDPPPLSA-N 1 0 307.390 3.120 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccncc1 ZINC000156470584 660555057 /nfs/dbraw/zinc/55/50/57/660555057.db2.gz UACHKOSPRINPCG-OAHLLOKOSA-N 1 0 313.470 3.486 20 10 DGCDRO CC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163404512 660598114 /nfs/dbraw/zinc/59/81/14/660598114.db2.gz KOCNGQDYFAZUTR-GFCCVEGCSA-N 1 0 316.367 3.430 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)[C@@H](C)C1 ZINC000701177175 660659168 /nfs/dbraw/zinc/65/91/68/660659168.db2.gz WVAPNVQTXUFZAE-GWCFXTLKSA-N 1 0 314.223 3.154 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1O ZINC000701862765 660690702 /nfs/dbraw/zinc/69/07/02/660690702.db2.gz ZFRNNBADUXSWJU-ZDUSSCGKSA-N 1 0 308.422 3.046 20 10 DGCDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000706406938 660856877 /nfs/dbraw/zinc/85/68/77/660856877.db2.gz MAWLXPNVZJBCFV-OLZOCXBDSA-N 1 0 308.422 3.298 20 10 DGCDRO Cc1noc(C)c1C[NH2+]Cc1c(O)cccc1Br ZINC000706822213 660873960 /nfs/dbraw/zinc/87/39/60/660873960.db2.gz ZEMQDDYPXULWCW-UHFFFAOYSA-N 1 0 311.179 3.049 20 10 DGCDRO CCOC(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC000706874950 660875862 /nfs/dbraw/zinc/87/58/62/660875862.db2.gz BLNXPEKFNHJMNM-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001036477206 660910066 /nfs/dbraw/zinc/91/00/66/660910066.db2.gz LAZFIZAFCCYHNO-RHSMWYFYSA-N 1 0 318.461 3.130 20 10 DGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000792920761 660993817 /nfs/dbraw/zinc/99/38/17/660993817.db2.gz BEIPPEOGCYKGRM-SJLPKXTDSA-N 1 0 320.502 3.287 20 10 DGCDRO FC(F)Oc1ccc(N2CCC([NH2+]CC3(F)CC3)CC2)cc1 ZINC000792950529 660996414 /nfs/dbraw/zinc/99/64/14/660996414.db2.gz KGSXCTYCVGVQGF-UHFFFAOYSA-N 1 0 314.351 3.349 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCOC2)c(C(F)(F)F)c1 ZINC000792984954 660998433 /nfs/dbraw/zinc/99/84/33/660998433.db2.gz LTDKYRYUTNMVHT-HNNXBMFYSA-N 1 0 316.367 3.288 20 10 DGCDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793011437 661000304 /nfs/dbraw/zinc/00/03/04/661000304.db2.gz VEDGLIAORJATQV-HNNXBMFYSA-N 1 0 318.383 3.412 20 10 DGCDRO Cc1ccncc1C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000793339478 661025514 /nfs/dbraw/zinc/02/55/14/661025514.db2.gz LKHUYVXDLBEGOA-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)c(O)c1 ZINC000793387485 661029284 /nfs/dbraw/zinc/02/92/84/661029284.db2.gz FKIPTKMOTHESNR-UHFFFAOYSA-N 1 0 306.431 3.445 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c1O ZINC000793602392 661049077 /nfs/dbraw/zinc/04/90/77/661049077.db2.gz WQQSLHAYFDDBNK-CYBMUJFWSA-N 1 0 308.422 3.094 20 10 DGCDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000793604338 661049295 /nfs/dbraw/zinc/04/92/95/661049295.db2.gz FUOIECDEDZEGCN-CQSZACIVSA-N 1 0 321.465 3.146 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000793609147 661049546 /nfs/dbraw/zinc/04/95/46/661049546.db2.gz OSHOKYTVYVLGOR-CYBMUJFWSA-N 1 0 301.789 3.312 20 10 DGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000794650144 661096265 /nfs/dbraw/zinc/09/62/65/661096265.db2.gz OUGYMXGHRWYINP-GOSISDBHSA-N 1 0 307.434 3.396 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@](C)(O)CC3)c2c1 ZINC000794667742 661097314 /nfs/dbraw/zinc/09/73/14/661097314.db2.gz PJXIXMZTNRBARU-IBGZPJMESA-N 1 0 315.413 3.291 20 10 DGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2O)C1(C)C ZINC000160284810 655586478 /nfs/dbraw/zinc/58/64/78/655586478.db2.gz MOEJHRSHFUTUID-DLBZAZTESA-N 1 0 323.433 3.045 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccccc2OC)c1 ZINC000160423609 655631650 /nfs/dbraw/zinc/63/16/50/655631650.db2.gz IUTHIILTQOZGHT-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO COc1ccc(C[NH2+]CCCc2ccc3c(c2)CCO3)c(O)c1 ZINC000795989178 661183282 /nfs/dbraw/zinc/18/32/82/661183282.db2.gz FDDDCPCWFUITPI-UHFFFAOYSA-N 1 0 313.397 3.058 20 10 DGCDRO CC[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000158212938 655775477 /nfs/dbraw/zinc/77/54/77/655775477.db2.gz BRUNNPZREDULLO-QFBILLFUSA-N 1 0 320.477 3.237 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@H]2C)c1O ZINC000091859395 655846915 /nfs/dbraw/zinc/84/69/15/655846915.db2.gz KHKWTVBPNFIPAH-VHSXEESVSA-N 1 0 314.223 3.394 20 10 DGCDRO COCC[NH+](CCOC)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000177133208 655914140 /nfs/dbraw/zinc/91/41/40/655914140.db2.gz RNTBFOAXNZJSJE-UHFFFAOYSA-N 1 0 309.450 3.093 20 10 DGCDRO CC(C)OCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178191992 655957890 /nfs/dbraw/zinc/95/78/90/655957890.db2.gz KPHKJHPDJCYZEE-OAHLLOKOSA-N 1 0 324.440 3.128 20 10 DGCDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000328182208 656055883 /nfs/dbraw/zinc/05/58/83/656055883.db2.gz NPAOEOSPACUARE-QFBILLFUSA-N 1 0 302.462 3.318 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1cc(F)ccc1O ZINC000716181096 661219784 /nfs/dbraw/zinc/21/97/84/661219784.db2.gz XSBMPXXFEYFZSO-WMLDXEAASA-N 1 0 314.404 3.456 20 10 DGCDRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2O)CCN1Cc1ccccc1 ZINC000309849983 656079478 /nfs/dbraw/zinc/07/94/78/656079478.db2.gz ZTJAVIMYEJJSHB-KBXCAEBGSA-N 1 0 314.404 3.284 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1cc(Br)ccc1O ZINC000716451933 661224163 /nfs/dbraw/zinc/22/41/63/661224163.db2.gz SBTNOHYECAKZBD-CYBMUJFWSA-N 1 0 324.222 3.427 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000187992911 656142781 /nfs/dbraw/zinc/14/27/81/656142781.db2.gz CXXIPGMPMBGGCH-QGZVFWFLSA-N 1 0 303.377 3.221 20 10 DGCDRO CCOCCOCC[N@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000189233557 656153738 /nfs/dbraw/zinc/15/37/38/656153738.db2.gz AWCYUBBMDOTQLD-UHFFFAOYSA-N 1 0 323.477 3.483 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189619746 656156329 /nfs/dbraw/zinc/15/63/29/656156329.db2.gz KSPYNZDSWMAHOJ-DZGCQCFKSA-N 1 0 317.351 3.274 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1ccccc1O ZINC000930222290 661239501 /nfs/dbraw/zinc/23/95/01/661239501.db2.gz OIDDFRCSAXHZEC-GFCCVEGCSA-N 1 0 313.323 3.385 20 10 DGCDRO COc1cccc(CN2CC[NH+](C3CCC(C)CC3)CC2)c1O ZINC000093386994 656319255 /nfs/dbraw/zinc/31/92/55/656319255.db2.gz CWCXBUJKOBSOLF-UHFFFAOYSA-N 1 0 318.461 3.097 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000093639983 656365787 /nfs/dbraw/zinc/36/57/87/656365787.db2.gz YAVLODJHIUVVEW-UHFFFAOYSA-N 1 0 300.446 3.432 20 10 DGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092710290 656578244 /nfs/dbraw/zinc/57/82/44/656578244.db2.gz UYHHCGJTNCWEAQ-ZDUSSCGKSA-N 1 0 324.852 3.174 20 10 DGCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)CCOC1 ZINC000317882185 656689121 /nfs/dbraw/zinc/68/91/21/656689121.db2.gz UNJJBKUEVQSFTF-SCLBCKFNSA-N 1 0 301.386 3.002 20 10 DGCDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)C1(C)C ZINC000236864329 656934928 /nfs/dbraw/zinc/93/49/28/656934928.db2.gz WLNICQRQJIHVRJ-CVEARBPZSA-N 1 0 307.434 3.474 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)C1(CC)CC ZINC000236892242 656962454 /nfs/dbraw/zinc/96/24/54/656962454.db2.gz XKQAPYKVJUGZID-JKSUJKDBSA-N 1 0 307.434 3.474 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1 ZINC000319981728 657304078 /nfs/dbraw/zinc/30/40/78/657304078.db2.gz JRGMCEMQTDUTHG-DYVFJYSZSA-N 1 0 317.433 3.363 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)c1 ZINC000237204757 657378885 /nfs/dbraw/zinc/37/88/85/657378885.db2.gz SIHNIWUFIYAEQH-KSSFIOAISA-N 1 0 306.450 3.001 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2OC(C)C)c1 ZINC000320447657 657543102 /nfs/dbraw/zinc/54/31/02/657543102.db2.gz JFPWKTLBJKYYJO-ZDUSSCGKSA-N 1 0 316.401 3.434 20 10 DGCDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000305161538 657690640 /nfs/dbraw/zinc/69/06/40/657690640.db2.gz XDARESDPBNCLRW-AWEZNQCLSA-N 1 0 306.425 3.382 20 10 DGCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cc(Cl)ccc2O)c(C)o1 ZINC000304345548 657708211 /nfs/dbraw/zinc/70/82/11/657708211.db2.gz UIOVVQJZQNZPFP-INIZCTEOSA-N 1 0 309.793 3.253 20 10 DGCDRO c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000098172377 657994372 /nfs/dbraw/zinc/99/43/72/657994372.db2.gz YYFBURLQDZETEJ-UHFFFAOYSA-N 1 0 308.425 3.380 20 10 DGCDRO C/C=C(\C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC000986131445 657994414 /nfs/dbraw/zinc/99/44/14/657994414.db2.gz DBTGGBXBCOKTKA-OEYYVUASSA-N 1 0 316.445 3.049 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)N2CCCCC2)c1O ZINC000228671709 658000026 /nfs/dbraw/zinc/00/00/26/658000026.db2.gz MWXLNXXHOSMTBE-GFCCVEGCSA-N 1 0 312.841 3.018 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2F)c1 ZINC000305767939 658038911 /nfs/dbraw/zinc/03/89/11/658038911.db2.gz IHBJKBGYBRQLOR-BTDLBPIBSA-N 1 0 323.339 3.063 20 10 DGCDRO CCOC(=O)C1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000321316755 658147799 /nfs/dbraw/zinc/14/77/99/658147799.db2.gz PVLRRIHJYRVZIM-IYXRBSQSSA-N 1 0 321.417 3.173 20 10 DGCDRO C/C=C(/C)C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC000988512190 658350975 /nfs/dbraw/zinc/35/09/75/658350975.db2.gz LMVGFRPNUYMBIO-JSQNTXSXSA-N 1 0 316.445 3.049 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1O ZINC000275335911 658547722 /nfs/dbraw/zinc/54/77/22/658547722.db2.gz NVVZAMHDIXHAIK-ZWKOPEQDSA-N 1 0 314.223 3.027 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)CCOc2ccccc2)c1O ZINC000119407806 658709446 /nfs/dbraw/zinc/70/94/46/658709446.db2.gz RXQFMRRDYWFSIE-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000155815202 658850003 /nfs/dbraw/zinc/85/00/03/658850003.db2.gz AMGJHNVOFOXYQL-UKRRQHHQSA-N 1 0 320.433 3.442 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C(C)C ZINC000163621648 658882544 /nfs/dbraw/zinc/88/25/44/658882544.db2.gz ZJFHCQSMWXPSTH-KRWDZBQOSA-N 1 0 308.491 3.000 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000164601867 658938437 /nfs/dbraw/zinc/93/84/37/658938437.db2.gz RHIFCBHKJNVAFK-DZGCQCFKSA-N 1 0 321.461 3.434 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000224828438 659032663 /nfs/dbraw/zinc/03/26/63/659032663.db2.gz QPHAMNDJDFECCL-OAHLLOKOSA-N 1 0 320.433 3.190 20 10 DGCDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000157455596 659063694 /nfs/dbraw/zinc/06/36/94/659063694.db2.gz LGZYDIDSMBXWLL-INIZCTEOSA-N 1 0 306.425 3.427 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCN(C)C2CCCC2)c1O ZINC000228673245 659202247 /nfs/dbraw/zinc/20/22/47/659202247.db2.gz OPBVTKLZRRUNTG-UHFFFAOYSA-N 1 0 312.841 3.018 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)cc1F ZINC000174529868 659438339 /nfs/dbraw/zinc/43/83/39/659438339.db2.gz CSLYZFKEKAOZAW-GOSISDBHSA-N 1 0 320.408 3.262 20 10 DGCDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000179961520 659947785 /nfs/dbraw/zinc/94/77/85/659947785.db2.gz WICJOLUONDLBOJ-NSHDSACASA-N 1 0 311.809 3.209 20 10 DGCDRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000180024804 659949676 /nfs/dbraw/zinc/94/96/76/659949676.db2.gz CKOVFPBNSALMLV-HNNXBMFYSA-N 1 0 320.433 3.224 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]CCCSc2nccs2)C1(C)C ZINC000181773878 660019041 /nfs/dbraw/zinc/01/90/41/660019041.db2.gz DVLHPUWNNIACEI-NEPJUHHUSA-N 1 0 300.493 3.419 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1 ZINC000182223484 660039047 /nfs/dbraw/zinc/03/90/47/660039047.db2.gz GETQAIARMHQYAW-UHFFFAOYSA-N 1 0 306.431 3.499 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC(C)=O)cc2)c1 ZINC000182471725 660055826 /nfs/dbraw/zinc/05/58/26/660055826.db2.gz FLLQCEQVDLKRGZ-GFCCVEGCSA-N 1 0 315.369 3.177 20 10 DGCDRO C[C@H](C[NH2+][C@H](C)c1ccccc1O)N1CCc2ccccc2C1 ZINC000183455761 660113512 /nfs/dbraw/zinc/11/35/12/660113512.db2.gz NVHOTRRHDOFQAY-HZPDHXFCSA-N 1 0 310.441 3.490 20 10 DGCDRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccccc1O ZINC000183459592 660115339 /nfs/dbraw/zinc/11/53/39/660115339.db2.gz KNBRQQYWFQAQGM-HNNXBMFYSA-N 1 0 312.413 3.080 20 10 DGCDRO CCN(CC[NH2+][C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000183484674 660117994 /nfs/dbraw/zinc/11/79/94/660117994.db2.gz XCBMHTLYKQOAMK-ZDUSSCGKSA-N 1 0 308.422 3.300 20 10 DGCDRO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(C)c1O)CC2 ZINC000183507711 660119521 /nfs/dbraw/zinc/11/95/21/660119521.db2.gz FISQCMHKXYDREP-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000183511380 660121021 /nfs/dbraw/zinc/12/10/21/660121021.db2.gz ZTTMKZAPVBBZKB-STQMWFEESA-N 1 0 306.406 3.052 20 10 DGCDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccccc1O ZINC000183599619 660125767 /nfs/dbraw/zinc/12/57/67/660125767.db2.gz CRVKZKAYJQVECV-CYBMUJFWSA-N 1 0 316.376 3.002 20 10 DGCDRO C[C@H]([NH2+]CCc1ccnn1C)c1ccc(N2CCCCC2)cc1 ZINC000184021051 660152768 /nfs/dbraw/zinc/15/27/68/660152768.db2.gz PMCNLWNDKZWNOT-INIZCTEOSA-N 1 0 312.461 3.304 20 10 DGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)nc1 ZINC000934342951 661699809 /nfs/dbraw/zinc/69/98/09/661699809.db2.gz FBOLLIFLIZCVDB-IBGZPJMESA-N 1 0 311.429 3.493 20 10 DGCDRO COc1ccccc1N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000155975134 661856060 /nfs/dbraw/zinc/85/60/60/661856060.db2.gz CTNXDKDEEHNRCY-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cc1 ZINC000158249616 661870345 /nfs/dbraw/zinc/87/03/45/661870345.db2.gz VXWKNUJAXBEHHC-QFBILLFUSA-N 1 0 312.457 3.397 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000159577085 661890847 /nfs/dbraw/zinc/89/08/47/661890847.db2.gz KEACHUCFBQKTCR-OAHLLOKOSA-N 1 0 306.475 3.149 20 10 DGCDRO CCC[C@H](C)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000187724655 661903092 /nfs/dbraw/zinc/90/30/92/661903092.db2.gz PLMQBFWXQGFUMF-AWEZNQCLSA-N 1 0 322.449 3.023 20 10 DGCDRO COCCO[C@@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000188927021 661954011 /nfs/dbraw/zinc/95/40/11/661954011.db2.gz YIAUBKMEJIHZJH-MRXNPFEDSA-N 1 0 321.461 3.235 20 10 DGCDRO COCCO[C@@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000188928964 661954024 /nfs/dbraw/zinc/95/40/24/661954024.db2.gz VNFAHLLFVGPZFP-MRXNPFEDSA-N 1 0 307.434 3.061 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000188975008 661956801 /nfs/dbraw/zinc/95/68/01/661956801.db2.gz GZECRAKSKBMXHK-UHFFFAOYSA-N 1 0 312.163 3.046 20 10 DGCDRO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CCC)Cc1ccccc1O ZINC000076074404 661966816 /nfs/dbraw/zinc/96/68/16/661966816.db2.gz TVLNVRNFBVTWNR-HUUCEWRRSA-N 1 0 306.450 3.298 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1F ZINC000189979187 662000244 /nfs/dbraw/zinc/00/02/44/662000244.db2.gz PANXXCKLAATLER-DOTOQJQBSA-N 1 0 308.441 3.313 20 10 DGCDRO Oc1ccccc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000076894601 662004458 /nfs/dbraw/zinc/00/44/58/662004458.db2.gz KUHSIKBYCNGWIP-UHFFFAOYSA-N 1 0 311.410 3.243 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000191587803 662073302 /nfs/dbraw/zinc/07/33/02/662073302.db2.gz HEDKTUSMSQFQRF-APWZRJJASA-N 1 0 312.457 3.315 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000194683725 662171243 /nfs/dbraw/zinc/17/12/43/662171243.db2.gz ZXEFJTHSFIFQBQ-LLVKDONJSA-N 1 0 302.330 3.160 20 10 DGCDRO CN(C)c1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000195662018 662192524 /nfs/dbraw/zinc/19/25/24/662192524.db2.gz TVSCQHWNPNGVFO-UHFFFAOYSA-N 1 0 323.484 3.461 20 10 DGCDRO CN(C)c1ccc(CN2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000092975015 662342270 /nfs/dbraw/zinc/34/22/70/662342270.db2.gz DDDDEVUYBNDTLC-LJQANCHMSA-N 1 0 314.404 3.465 20 10 DGCDRO COc1cccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1O ZINC000093324805 662352329 /nfs/dbraw/zinc/35/23/29/662352329.db2.gz IFBYATLEIJMXFA-ZDUSSCGKSA-N 1 0 301.386 3.169 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC3(CCCC3)C2)ccc1N1CCOCC1 ZINC000093336614 662353054 /nfs/dbraw/zinc/35/30/54/662353054.db2.gz PLCUZZHSIFRSLM-UHFFFAOYSA-N 1 0 318.436 3.428 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000093637863 662357625 /nfs/dbraw/zinc/35/76/25/662357625.db2.gz FNVMYWQYDMOFKN-OAQYLSRUSA-N 1 0 322.452 3.427 20 10 DGCDRO COc1cccc(C[N@@H+]2CCOC3(C2)CCCCCC3)c1O ZINC000093769225 662359693 /nfs/dbraw/zinc/35/96/93/662359693.db2.gz NAMNWTUYWYXPRL-UHFFFAOYSA-N 1 0 305.418 3.326 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2cccc(N(C)C)c2)c1O ZINC000093845680 662360177 /nfs/dbraw/zinc/36/01/77/662360177.db2.gz PPZKBNRAMTTWMJ-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO CCc1nc(CC[NH2+]Cc2cc(C)cc(OC)c2O)cs1 ZINC000894214998 685307383 /nfs/dbraw/zinc/30/73/83/685307383.db2.gz OBGYRYVMESXBSB-UHFFFAOYSA-N 1 0 306.431 3.060 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(Br)cc1O ZINC000381433301 685157858 /nfs/dbraw/zinc/15/78/58/685157858.db2.gz BZEUXDDGOLEIIV-SCZZXKLOSA-N 1 0 302.237 3.311 20 10 DGCDRO CC[N@@H+](Cc1cc(Br)cc(C)c1O)C[C@H](C)OC ZINC000383337929 685166765 /nfs/dbraw/zinc/16/67/65/685166765.db2.gz HAUXVBMXDKEVEG-NSHDSACASA-N 1 0 316.239 3.320 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccccc2O)c(Br)c1 ZINC000388037872 685187215 /nfs/dbraw/zinc/18/72/15/685187215.db2.gz YDISGPZCTUDCJY-UHFFFAOYSA-N 1 0 322.202 3.453 20 10 DGCDRO COc1cc(Cl)cc(CN2CC[NH2+]CC23CCCCC3)c1O ZINC000388880238 685191418 /nfs/dbraw/zinc/19/14/18/685191418.db2.gz QRPLFZNKMXQHFU-UHFFFAOYSA-N 1 0 324.852 3.162 20 10 DGCDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000389218092 685192536 /nfs/dbraw/zinc/19/25/36/685192536.db2.gz DNYQMKBKBDAUEE-GOSISDBHSA-N 1 0 301.478 3.251 20 10 DGCDRO COc1cc(Cl)cc(CN(CC[NH3+])Cc2ccccc2)c1O ZINC000390802983 685206226 /nfs/dbraw/zinc/20/62/26/685206226.db2.gz SHUMQQJKLWZYMQ-UHFFFAOYSA-N 1 0 320.820 3.015 20 10 DGCDRO COCCC(C)(C)[NH2+]Cc1cc(Br)ccc1O ZINC000397914907 685233046 /nfs/dbraw/zinc/23/30/46/685233046.db2.gz MQIUPVPIQKTPEI-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001576480750 1191829064 /nfs/dbraw/zinc/82/90/64/1191829064.db2.gz NZXSTEONNHEHST-LLVKDONJSA-N 1 0 300.805 3.053 20 10 DGCDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC001576556144 1191843560 /nfs/dbraw/zinc/84/35/60/1191843560.db2.gz NZHUESLFRHZUJD-SNRMKQJTSA-N 1 0 301.478 3.334 20 10 DGCDRO Cc1cc(C(=O)NCCC(C)(C)[NH3+])c(C)n1-c1ccccc1C ZINC001579785245 1191993845 /nfs/dbraw/zinc/99/38/45/1191993845.db2.gz FTMGHHUKUGMERC-UHFFFAOYSA-N 1 0 313.445 3.260 20 10 DGCDRO [NH3+][C@H]1CC=C(C(=O)N(Cc2ccccc2F)c2ccccc2)C1 ZINC001580171112 1192011965 /nfs/dbraw/zinc/01/19/65/1192011965.db2.gz GKDNQZFEPFDRHS-INIZCTEOSA-N 1 0 310.372 3.406 20 10 DGCDRO Nc1ccc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC001580445475 1192027258 /nfs/dbraw/zinc/02/72/58/1192027258.db2.gz FXQAVIWCTJMMBF-OAHLLOKOSA-N 1 0 310.319 3.111 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cc1C ZINC001620830196 1192283832 /nfs/dbraw/zinc/28/38/32/1192283832.db2.gz CNMFNRFJLMEQQA-MRXNPFEDSA-N 1 0 318.461 3.273 20 10 DGCDRO CCCCN(C)C[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001620956333 1192652416 /nfs/dbraw/zinc/65/24/16/1192652416.db2.gz ROEVFFMOISEHPQ-IJDCCNJMSA-N 1 0 303.494 3.476 20 10 DGCDRO COCCOCCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000387568053 1177898164 /nfs/dbraw/zinc/89/81/64/1177898164.db2.gz IZMNAKUUUFKBRN-GJZGRUSLSA-N 1 0 307.434 3.282 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001330894696 1178086364 /nfs/dbraw/zinc/08/63/64/1178086364.db2.gz NMPWIFPNWZLOSF-LXZKKBNFSA-N 1 0 318.461 3.034 20 10 DGCDRO c1nc2c([nH]1)C1(CCC1)[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001332009040 1178334618 /nfs/dbraw/zinc/33/46/18/1178334618.db2.gz BTTBFRWNTLHWSQ-UHFFFAOYSA-N 1 0 322.456 3.447 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCCCO3)CC1)CCC2 ZINC001332150338 1178370477 /nfs/dbraw/zinc/37/04/77/1178370477.db2.gz YMELQUHNIYJWEL-UHFFFAOYSA-N 1 0 301.430 3.416 20 10 DGCDRO CCc1noc(-c2ccc(CC[NH2+]Cc3ccc(N)cc3)cc2)n1 ZINC001334753245 1178790712 /nfs/dbraw/zinc/79/07/12/1178790712.db2.gz BLVIBRDUNSMXDH-UHFFFAOYSA-N 1 0 322.412 3.214 20 10 DGCDRO CC[C@@H]([NH2+]CCc1ccc(OC)nc1)c1ccc(N(C)C)cc1 ZINC001334935030 1178831979 /nfs/dbraw/zinc/83/19/79/1178831979.db2.gz NPQRLWDMVQWHNX-GOSISDBHSA-N 1 0 313.445 3.440 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2)c(O)c1OC ZINC001335440417 1178910382 /nfs/dbraw/zinc/91/03/82/1178910382.db2.gz DAOFKKWBPKYJSL-GFCCVEGCSA-N 1 0 319.376 3.442 20 10 DGCDRO CCCN(Cc1nnc(C2CC2)s1)c1ccc(C[NH3+])cc1 ZINC001335501235 1178923218 /nfs/dbraw/zinc/92/32/18/1178923218.db2.gz OSTYETCTTJZGLJ-UHFFFAOYSA-N 1 0 302.447 3.291 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)[C@@H](O)C(F)(F)F ZINC001335523346 1178926074 /nfs/dbraw/zinc/92/60/74/1178926074.db2.gz VPJWBUUIGDQMFX-DLVJRCHESA-N 1 0 303.324 3.150 20 10 DGCDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336116219 1178995037 /nfs/dbraw/zinc/99/50/37/1178995037.db2.gz DAOWOWCOGLYCMX-KRWDZBQOSA-N 1 0 317.477 3.177 20 10 DGCDRO Nc1ccc(CN2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC001336116936 1178995195 /nfs/dbraw/zinc/99/51/95/1178995195.db2.gz IIUNTKFKWCMTDL-KRWDZBQOSA-N 1 0 304.340 3.121 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(N(C)C)nc1 ZINC001342388626 1179136923 /nfs/dbraw/zinc/13/69/23/1179136923.db2.gz AVLONFOVPBQYDZ-HIFRSBDPSA-N 1 0 311.429 3.500 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)CCC(C)C)CC2)cc1 ZINC001344438603 1179433380 /nfs/dbraw/zinc/43/33/80/1179433380.db2.gz FTBDNTJEWNBWRB-SFHVURJKSA-N 1 0 320.477 3.004 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCOC12CCOCC2 ZINC001345124525 1179529632 /nfs/dbraw/zinc/52/96/32/1179529632.db2.gz VKFQCIOVBFCRAP-IIAWOOMASA-N 1 0 317.429 3.177 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCN(CC(F)F)C1 ZINC001345143630 1179532909 /nfs/dbraw/zinc/53/29/09/1179532909.db2.gz WIVWMLYJIGOMTF-FRRDWIJNSA-N 1 0 310.388 3.178 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1F ZINC001351328567 1180201465 /nfs/dbraw/zinc/20/14/65/1180201465.db2.gz GBHAKFOLVFKIGP-MSOLQXFVSA-N 1 0 324.415 3.326 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CC(=O)NC1CCCCC1 ZINC001200186070 1180432073 /nfs/dbraw/zinc/43/20/73/1180432073.db2.gz WCOODXOUMZRAJU-UHFFFAOYSA-N 1 0 313.445 3.025 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](CO)c1ccccc1 ZINC001200812506 1180930010 /nfs/dbraw/zinc/93/00/10/1180930010.db2.gz OYLOXZHPJVCWSI-KRWDZBQOSA-N 1 0 308.425 3.352 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC001459354817 1182582037 /nfs/dbraw/zinc/58/20/37/1182582037.db2.gz WXTJOFFMVFBWLA-LPHOPBHVSA-N 1 0 302.462 3.268 20 10 DGCDRO CC(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001461033515 1182759814 /nfs/dbraw/zinc/75/98/14/1182759814.db2.gz ZLFOBKNMQWLBHZ-UHFFFAOYSA-N 1 0 314.832 3.395 20 10 DGCDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461087243 1182766425 /nfs/dbraw/zinc/76/64/25/1182766425.db2.gz QIUJWMSFCTWUOF-GOSISDBHSA-N 1 0 313.445 3.413 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC001461181888 1182779345 /nfs/dbraw/zinc/77/93/45/1182779345.db2.gz ACGPZPXKGSERKW-XFHJGTJQSA-N 1 0 308.425 3.359 20 10 DGCDRO CCOCc1cc(C[NH2+]C2Cc3ccccc3C2)ccc1OC ZINC001461417579 1182811069 /nfs/dbraw/zinc/81/10/69/1182811069.db2.gz LJIXWMCTPFVGOP-UHFFFAOYSA-N 1 0 311.425 3.489 20 10 DGCDRO Fc1cc(C[NH2+]CC2CCCCC2)cc(F)c1N1CCOCC1 ZINC001461564426 1182828002 /nfs/dbraw/zinc/82/80/02/1182828002.db2.gz HBGSBPKNTJUVTN-UHFFFAOYSA-N 1 0 324.415 3.471 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1C ZINC001461598552 1182833382 /nfs/dbraw/zinc/83/33/82/1182833382.db2.gz AYSGIJJXBSYJKH-INIZCTEOSA-N 1 0 318.461 3.273 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CC[C@H]2C(C)C)c2cc(F)ccc2n1C ZINC001461998559 1182893787 /nfs/dbraw/zinc/89/37/87/1182893787.db2.gz PLRGWMWDTKICKR-HNNXBMFYSA-N 1 0 318.392 3.334 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cnn(-c3ccccc3C)c2)c(O)c1 ZINC001462151029 1182915568 /nfs/dbraw/zinc/91/55/68/1182915568.db2.gz ZGJMWWBDJGAHSO-UHFFFAOYSA-N 1 0 323.396 3.185 20 10 DGCDRO C[N@H+](Cc1cnn2c1CCC2)Cc1ccc(N2CCCC2)cc1 ZINC001462206810 1182923310 /nfs/dbraw/zinc/92/33/10/1182923310.db2.gz NEXBHKHDPQUPSI-UHFFFAOYSA-N 1 0 310.445 3.062 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c(O)c1 ZINC001462223898 1182926244 /nfs/dbraw/zinc/92/62/44/1182926244.db2.gz NOJUSBIWMHUBPL-UHFFFAOYSA-N 1 0 307.397 3.235 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC001462377212 1182943540 /nfs/dbraw/zinc/94/35/40/1182943540.db2.gz PXFTWUJTXLBPPA-VZSQWMKGSA-N 1 0 300.446 3.267 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)CC2CCCCC2)c1O ZINC001462381420 1182944288 /nfs/dbraw/zinc/94/42/88/1182944288.db2.gz CXAMNTGQUBCXGH-MRXNPFEDSA-N 1 0 307.434 3.130 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC(C)(C)C2=CCOCC2)c(O)c1 ZINC001462676891 1182984620 /nfs/dbraw/zinc/98/46/20/1182984620.db2.gz NEHGALABBFQHHV-UHFFFAOYSA-N 1 0 305.418 3.172 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@]3(C(=O)OC)CCC[C@@H]23)cc1 ZINC001473777173 1183800840 /nfs/dbraw/zinc/80/08/40/1183800840.db2.gz JHUCJZVUEVRMLV-MJGOQNOKSA-N 1 0 316.445 3.060 20 10 DGCDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC001473967893 1183840424 /nfs/dbraw/zinc/84/04/24/1183840424.db2.gz BVHBTMPKUJDLOU-CQSZACIVSA-N 1 0 323.456 3.066 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCC2 ZINC001474011309 1183850153 /nfs/dbraw/zinc/85/01/53/1183850153.db2.gz QUOQNFNJNQDKFH-MSOLQXFVSA-N 1 0 301.430 3.449 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(N(C)C)cc1 ZINC001474116797 1183869927 /nfs/dbraw/zinc/86/99/27/1183869927.db2.gz HAYJVTHDECRTLR-JQFCIGGWSA-N 1 0 322.424 3.037 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(Br)nc1)c1ccccc1O ZINC001474253836 1183890594 /nfs/dbraw/zinc/89/05/94/1183890594.db2.gz XDQOBHUPJLXKHQ-SNVBAGLBSA-N 1 0 307.191 3.401 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1CCC=CCC1 ZINC001474277175 1183894198 /nfs/dbraw/zinc/89/41/98/1183894198.db2.gz ABAQPFFXJYOKDV-UHFFFAOYSA-N 1 0 300.446 3.359 20 10 DGCDRO CC1(C)CCN(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001474295212 1183898529 /nfs/dbraw/zinc/89/85/29/1183898529.db2.gz YYMQZNGANCKRIK-UHFFFAOYSA-N 1 0 315.505 3.498 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2C[C@@]2(C)Br)cc1 ZINC001474307434 1183902104 /nfs/dbraw/zinc/90/21/04/1183902104.db2.gz LXNVTJNSUGXOEJ-UKRRQHHQSA-N 1 0 311.267 3.358 20 10 DGCDRO C[N@H+](Cc1ccccc1O)CC1(c2ccc3c(c2)OCO3)CC1 ZINC001474376821 1183912275 /nfs/dbraw/zinc/91/22/75/1183912275.db2.gz UNEMZVRLENHFFU-UHFFFAOYSA-N 1 0 311.381 3.285 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC001474379236 1183913580 /nfs/dbraw/zinc/91/35/80/1183913580.db2.gz RSJVGPPPJPJOSP-LBPRGKRZSA-N 1 0 303.793 3.215 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(Cl)cc1O ZINC001474395978 1183914707 /nfs/dbraw/zinc/91/47/07/1183914707.db2.gz ANWJFYXBADAWCB-CZUORRHYSA-N 1 0 311.809 3.257 20 10 DGCDRO Cc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c(O)c1 ZINC001474421058 1183918553 /nfs/dbraw/zinc/91/85/53/1183918553.db2.gz DLKFMHNPGBKETQ-UHFFFAOYSA-N 1 0 314.429 3.277 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H](C)c2ccccc2)cc1OC ZINC001474424419 1183919756 /nfs/dbraw/zinc/91/97/56/1183919756.db2.gz WIQDFSQFOUFWAY-CYBMUJFWSA-N 1 0 301.386 3.303 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c(O)c1 ZINC001474472789 1183928631 /nfs/dbraw/zinc/92/86/31/1183928631.db2.gz FJHJGYJDXBZDCC-UHFFFAOYSA-N 1 0 322.748 3.252 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@@H](CO)CC(C)(C)C)cc1 ZINC001474527274 1183936122 /nfs/dbraw/zinc/93/61/22/1183936122.db2.gz WMBJHXLCNHHNJN-LKGOPFMKSA-N 1 0 304.478 3.495 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC(C3CCOCC3)CC2)c(O)c1 ZINC001474594012 1183946246 /nfs/dbraw/zinc/94/62/46/1183946246.db2.gz OOJXDBYTBQGBPL-UHFFFAOYSA-N 1 0 319.445 3.348 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1O ZINC001474646702 1183954734 /nfs/dbraw/zinc/95/47/34/1183954734.db2.gz GXJRFZXUFBHQEA-DOTOQJQBSA-N 1 0 320.477 3.261 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC(C)(C)CC[C@H]2CO)cc1 ZINC001474682213 1183960963 /nfs/dbraw/zinc/96/09/63/1183960963.db2.gz ULQLJUYXECFBHZ-QWNKOJSDSA-N 1 0 302.462 3.249 20 10 DGCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001474727654 1183969297 /nfs/dbraw/zinc/96/92/97/1183969297.db2.gz JCXZVEQNVGDIPS-GFCCVEGCSA-N 1 0 321.808 3.192 20 10 DGCDRO CCC[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480439693 1184530704 /nfs/dbraw/zinc/53/07/04/1184530704.db2.gz UZEWKZREBHEFFK-HIFRSBDPSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)C2CC2)cc1C ZINC001480758210 1184600767 /nfs/dbraw/zinc/60/07/67/1184600767.db2.gz LNOJASOTVMGIMR-CABCVRRESA-N 1 0 318.461 3.034 20 10 DGCDRO CCCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001505561327 1186104571 /nfs/dbraw/zinc/10/45/71/1186104571.db2.gz KMZRAPPGTMGDSX-LSDHHAIUSA-N 1 0 306.450 3.177 20 10 DGCDRO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)C ZINC001537484508 1188077970 /nfs/dbraw/zinc/07/79/70/1188077970.db2.gz WXPKUGSCNQOJDN-PBHICJAKSA-N 1 0 319.493 3.154 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C2CC(OC(C)(C)C)C2)cc1 ZINC001559966708 1189263989 /nfs/dbraw/zinc/26/39/89/1189263989.db2.gz JAGGSPJAEWZNHH-UHFFFAOYSA-N 1 0 320.477 3.409 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)cc1C ZINC001560392767 1189322575 /nfs/dbraw/zinc/32/25/75/1189322575.db2.gz AHGFAQXJBQWSBB-KRWDZBQOSA-N 1 0 317.429 3.318 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC001560439449 1189329582 /nfs/dbraw/zinc/32/95/82/1189329582.db2.gz LQOFUJHMMFNDGC-HNNXBMFYSA-N 1 0 306.409 3.449 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC001560538122 1189337700 /nfs/dbraw/zinc/33/77/00/1189337700.db2.gz ZTLPRYYNOGHCFN-LBPRGKRZSA-N 1 0 307.752 3.278 20 10 DGCDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1c(O)cccc1Cl)CO2 ZINC001560541099 1189338622 /nfs/dbraw/zinc/33/86/22/1189338622.db2.gz KWDQZDUYJDAILR-GFCCVEGCSA-N 1 0 303.789 3.447 20 10 DGCDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1cccnc1)c1ccccc1O ZINC001560575426 1189343051 /nfs/dbraw/zinc/34/30/51/1189343051.db2.gz KQKPLHRDMJYKBC-CYBMUJFWSA-N 1 0 308.385 3.039 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2cccc(F)c2)c(Cl)c1 ZINC001560595432 1189345387 /nfs/dbraw/zinc/34/53/87/1189345387.db2.gz AVYFQIQHWUAIIG-KRWDZBQOSA-N 1 0 323.795 3.490 20 10 DGCDRO COC(=O)c1c(C[NH+]2C[C@H](C)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001560687725 1189361323 /nfs/dbraw/zinc/36/13/23/1189361323.db2.gz OGMAXGMZJLPJSG-RYUDHWBXSA-N 1 0 318.392 3.192 20 10 DGCDRO CCCN(Cc1cn(CCC)nc1C)c1ccc(C[NH3+])cc1 ZINC001560807959 1189384993 /nfs/dbraw/zinc/38/49/93/1189384993.db2.gz CBOPPWLEFOWSBP-UHFFFAOYSA-N 1 0 300.450 3.477 20 10 DGCDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC001560818298 1189386197 /nfs/dbraw/zinc/38/61/97/1189386197.db2.gz HPSWZYKNSIKCHB-MRXNPFEDSA-N 1 0 320.433 3.143 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c(O)c1 ZINC001560836669 1189392502 /nfs/dbraw/zinc/39/25/02/1189392502.db2.gz VDZMBVUVQDKBCL-GJZGRUSLSA-N 1 0 324.424 3.157 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC001560845480 1189393058 /nfs/dbraw/zinc/39/30/58/1189393058.db2.gz VKAHZSQSJKOYIA-IEBWSBKVSA-N 1 0 303.446 3.402 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@H+](C)C(C)(C)CN2CCOCC2)c1 ZINC001560882288 1189399386 /nfs/dbraw/zinc/39/93/86/1189399386.db2.gz GZHINLGQIHJSKD-UHFFFAOYSA-N 1 0 320.477 3.058 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001560947859 1189409835 /nfs/dbraw/zinc/40/98/35/1189409835.db2.gz JSRMRLQWLRVZFU-GOEBONIOSA-N 1 0 311.809 3.257 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001561004718 1189419533 /nfs/dbraw/zinc/41/95/33/1189419533.db2.gz TVGVLFHVZISORR-JQWIXIFHSA-N 1 0 309.715 3.245 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)N(C)C)cc1 ZINC001561040193 1189424341 /nfs/dbraw/zinc/42/43/41/1189424341.db2.gz LXWINVNWEQESMZ-DSLXNQLJSA-N 1 0 301.478 3.134 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)N(C)C)cc1 ZINC001561040196 1189424755 /nfs/dbraw/zinc/42/47/55/1189424755.db2.gz LXWINVNWEQESMZ-WNHJNPCNSA-N 1 0 301.478 3.134 20 10 DGCDRO COc1ccc(C[NH2+]CC2(NC(=O)C(C)C)CCCC2)cc1C ZINC001567993167 1190391232 /nfs/dbraw/zinc/39/12/32/1190391232.db2.gz CLLXPUBELNIQIR-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCCN(C)CC(C)(C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001657720368 1196171764 /nfs/dbraw/zinc/17/17/64/1196171764.db2.gz UGQXQMWCVLTVFX-CMDGGOBGSA-N 1 0 303.494 3.476 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cn2ccsc2n1 ZINC001620750671 1191429528 /nfs/dbraw/zinc/42/95/28/1191429528.db2.gz JCYKOUHJVKCIDW-UHFFFAOYSA-N 1 0 311.769 3.184 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]CCC(C)(C)C)cc2F)CC1 ZINC001620717042 1193794352 /nfs/dbraw/zinc/79/43/52/1193794352.db2.gz LBGUPEMDUWOVSR-UHFFFAOYSA-N 1 0 307.457 3.103 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2(C3(O)CCC3)CC2)cc1 ZINC001621087324 1193800277 /nfs/dbraw/zinc/80/02/77/1193800277.db2.gz HFMRSOHOJHXXRZ-UHFFFAOYSA-N 1 0 302.462 3.318 20 10 DGCDRO CN(C[C@@]1(C)CCCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC001621233650 1193820106 /nfs/dbraw/zinc/82/01/06/1193820106.db2.gz SOYCGJBDIVWUNM-GOSISDBHSA-N 1 0 306.450 3.022 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC001621250441 1193822702 /nfs/dbraw/zinc/82/27/02/1193822702.db2.gz IYCGXGRDINAUHM-KRWDZBQOSA-N 1 0 324.424 3.411 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC001621280902 1193826805 /nfs/dbraw/zinc/82/68/05/1193826805.db2.gz MMJMAURIDANACI-IBGZPJMESA-N 1 0 319.445 3.286 20 10 DGCDRO CCN1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001621396668 1193837381 /nfs/dbraw/zinc/83/73/81/1193837381.db2.gz PNAVXYNQUDEUSE-WMZOPIPTSA-N 1 0 303.494 3.066 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC001621477568 1193848004 /nfs/dbraw/zinc/84/80/04/1193848004.db2.gz UATGKJHMUVHKFD-VWKPWSFCSA-N 1 0 307.459 3.001 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1cc(C)cc(OC)c1O)C(=O)OC(C)(C)C ZINC001621532115 1193855323 /nfs/dbraw/zinc/85/53/23/1193855323.db2.gz ZWOXIAWGGMSVSF-ZDUSSCGKSA-N 1 0 323.433 3.167 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001621567212 1193859360 /nfs/dbraw/zinc/85/93/60/1193859360.db2.gz GCASHHFFDCMGBG-SFHVURJKSA-N 1 0 301.361 3.495 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3)CC2)c1 ZINC001621567806 1193859426 /nfs/dbraw/zinc/85/94/26/1193859426.db2.gz TZTRFOWJPNLAOE-IBGZPJMESA-N 1 0 313.397 3.364 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1O ZINC001645713736 1195198604 /nfs/dbraw/zinc/19/86/04/1195198604.db2.gz ORVHAUJCPOEJTK-JKSUJKDBSA-N 1 0 323.408 3.416 20 10 DGCDRO CC(C)[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001648591424 1195311258 /nfs/dbraw/zinc/31/12/58/1195311258.db2.gz LDGVNOFIRZHVHX-PMACEKPBSA-N 1 0 315.505 3.447 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC001648745172 1195327980 /nfs/dbraw/zinc/32/79/80/1195327980.db2.gz PZOHDNWBNPPPLE-QWNKOJSDSA-N 1 0 324.424 3.195 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C(C)C ZINC001651107880 1195415060 /nfs/dbraw/zinc/41/50/60/1195415060.db2.gz ODOPRSUXANCSRW-SFHVURJKSA-N 1 0 319.493 3.125 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC001651156613 1195421568 /nfs/dbraw/zinc/42/15/68/1195421568.db2.gz GRIIASJYZQQPFM-JXFKEZNVSA-N 1 0 322.408 3.071 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCCC[C@@H]2F)ccc1N1CCOCC1 ZINC001651400210 1195454443 /nfs/dbraw/zinc/45/44/43/1195454443.db2.gz JBSRHPICJQSBEA-GOEBONIOSA-N 1 0 310.388 3.033 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)cc1F ZINC001651437466 1195461434 /nfs/dbraw/zinc/46/14/34/1195461434.db2.gz PXCYBIVOCJDVGM-OKILXGFUSA-N 1 0 322.424 3.102 20 10 DGCDRO C[C@@H]1CC[C@@](CO)([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC001651685037 1195496654 /nfs/dbraw/zinc/49/66/54/1195496654.db2.gz SYVKSAAPKZUASP-VFNWGFHPSA-N 1 0 323.436 3.496 20 10 DGCDRO COC(=O)c1c(C[N@H+](C)[C@H](C)C2CC2)c2cc(F)ccc2n1C ZINC001652481020 1195603787 /nfs/dbraw/zinc/60/37/87/1195603787.db2.gz KXIWEWPCXUZIAV-LLVKDONJSA-N 1 0 318.392 3.334 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1O ZINC001652631415 1195629122 /nfs/dbraw/zinc/62/91/22/1195629122.db2.gz JDGBNFCYXBSOIZ-WDEREUQCSA-N 1 0 303.736 3.141 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001652740582 1195644665 /nfs/dbraw/zinc/64/46/65/1195644665.db2.gz XYSLNXLLOWXSFH-HRCADAONSA-N 1 0 320.477 3.103 20 10 DGCDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001652838656 1195658504 /nfs/dbraw/zinc/65/85/04/1195658504.db2.gz KTOFKNQKFQEWBN-UHFFFAOYSA-N 1 0 318.804 3.318 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CCc1nsc2ccccc12 ZINC001652885305 1195666997 /nfs/dbraw/zinc/66/69/97/1195666997.db2.gz JOMREOOJPGISJU-UHFFFAOYSA-N 1 0 302.374 3.473 20 10 DGCDRO OC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001653121009 1195689804 /nfs/dbraw/zinc/68/98/04/1195689804.db2.gz QALCQACZBVIITQ-INIZCTEOSA-N 1 0 305.805 3.129 20 10 DGCDRO Oc1cccc(F)c1CNCc1ncc(Br)s1 ZINC001653131303 1195690693 /nfs/dbraw/zinc/69/06/93/1195690693.db2.gz IUSCDMLAWRWATQ-UHFFFAOYSA-N 1 0 317.183 3.040 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(NC(N)=O)cc2)cc1 ZINC001655246288 1195895008 /nfs/dbraw/zinc/89/50/08/1195895008.db2.gz JAXOERKGHILWHE-ARJAWSKDSA-N 1 0 324.428 3.046 20 10 DGCDRO c1ccc(C[C@H]2C[C@@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001656529909 1196047240 /nfs/dbraw/zinc/04/72/40/1196047240.db2.gz PTDWOJQFINZBCY-FPOVZHCZSA-N 1 0 322.452 3.244 20 10 DGCDRO CN(C)c1ccc(CN[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1F ZINC001656641076 1196057410 /nfs/dbraw/zinc/05/74/10/1196057410.db2.gz BDNFOKPFIXIXCG-QGZVFWFLSA-N 1 0 319.468 3.246 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N1CCC[C@H](C)C1 ZINC001656761415 1196069916 /nfs/dbraw/zinc/06/99/16/1196069916.db2.gz NZXYUMRLLXERRX-ZWKOTPCHSA-N 1 0 315.505 3.497 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1F ZINC001656844403 1196075311 /nfs/dbraw/zinc/07/53/11/1196075311.db2.gz FDEUKZWXIPXVHE-SJORKVTESA-N 1 0 310.388 3.222 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC001656875892 1196077915 /nfs/dbraw/zinc/07/79/15/1196077915.db2.gz IFMYCHSZXJWQGX-HNNXBMFYSA-N 1 0 312.413 3.021 20 10 DGCDRO Oc1c(F)cc(Cl)cc1CNc1cnn(-c2cc[nH+]cc2)c1 ZINC001657080241 1196102320 /nfs/dbraw/zinc/10/23/20/1196102320.db2.gz NBFYSOWZPPWKRD-UHFFFAOYSA-N 1 0 318.739 3.378 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000072670556 1196105686 /nfs/dbraw/zinc/10/56/86/1196105686.db2.gz VLIUMFJHYZFBJP-IBGZPJMESA-N 1 0 309.457 3.117 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCC(=O)OC(C)(C)C ZINC001657221063 1196119555 /nfs/dbraw/zinc/11/95/55/1196119555.db2.gz RTIIAAXKHVZALZ-UHFFFAOYSA-N 1 0 306.450 3.225 20 10 DGCDRO CC[N@@H+](Cc1ccc(C)cc1O)C[C@H]1COc2ccccc2O1 ZINC001657224431 1196120564 /nfs/dbraw/zinc/12/05/64/1196120564.db2.gz WEDKJIUKTAXNAS-INIZCTEOSA-N 1 0 313.397 3.363 20 10 DGCDRO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)c(O)c1 ZINC001657453057 1196143688 /nfs/dbraw/zinc/14/36/88/1196143688.db2.gz GGHGZQMFWBGDRM-SFHVURJKSA-N 1 0 324.424 3.328 20 10 DGCDRO COC(=O)CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(C)C ZINC001657500188 1196149873 /nfs/dbraw/zinc/14/98/73/1196149873.db2.gz WWUKDHJEZBHQDM-SREVYHEPSA-N 1 0 318.461 3.287 20 10 DGCDRO Cc1ccc(C[N@H+](CCO)Cc2ccc(Cl)cc2O)cc1 ZINC001657525463 1196151541 /nfs/dbraw/zinc/15/15/41/1196151541.db2.gz BRFIMYZLALQBRP-UHFFFAOYSA-N 1 0 305.805 3.349 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)cc1C ZINC001657672056 1196168634 /nfs/dbraw/zinc/16/86/34/1196168634.db2.gz GSBLAVVRFSFCFF-UHFFFAOYSA-N 1 0 303.446 3.425 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1F ZINC001657926700 1196194179 /nfs/dbraw/zinc/19/41/79/1196194179.db2.gz YQIAVVQMKYGWPX-PLQHRBFRSA-N 1 0 310.388 3.078 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](c2nncn2C)C(C)C)c1 ZINC001658064652 1196208228 /nfs/dbraw/zinc/20/82/28/1196208228.db2.gz JKNWQMBCDYZOIC-INIZCTEOSA-N 1 0 302.422 3.131 20 10 DGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001658102527 1196211780 /nfs/dbraw/zinc/21/17/80/1196211780.db2.gz RNTSQRAEJWNFIR-CVEARBPZSA-N 1 0 310.388 3.078 20 10 DGCDRO COc1ccc(Cl)cc1[C@@H](O)C[NH2+]Cc1ccc(C)cc1O ZINC001658104943 1196212346 /nfs/dbraw/zinc/21/23/46/1196212346.db2.gz MFIDMRPPDVEUSG-INIZCTEOSA-N 1 0 321.804 3.186 20 10 DGCDRO CCOC(OCC)[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001658197232 1196224321 /nfs/dbraw/zinc/22/43/21/1196224321.db2.gz CJUKNZCXSIAWGK-OAHLLOKOSA-N 1 0 306.450 3.164 20 10 DGCDRO CCOc1ccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)o1 ZINC001658486699 1196263514 /nfs/dbraw/zinc/26/35/14/1196263514.db2.gz HGDZFJXCUKRJNK-UHFFFAOYSA-N 1 0 318.417 3.255 20 10 DGCDRO CCC[N@H+](CCN1CCCC1)Cc1ccc(N(C)CC)cc1 ZINC001658593168 1196277772 /nfs/dbraw/zinc/27/77/72/1196277772.db2.gz HCWFOGHSRMANFR-UHFFFAOYSA-N 1 0 303.494 3.451 20 10 DGCDRO COc1cc(C[NH2+]CC(C)(C)[C@H](C)O)c(O)c(C(C)(C)C)c1 ZINC001658706778 1196290464 /nfs/dbraw/zinc/29/04/64/1196290464.db2.gz BKUOTXDTXAYBEP-LBPRGKRZSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCC[C@@H]2CCCCO2)c1O ZINC001658753337 1196296624 /nfs/dbraw/zinc/29/66/24/1196296624.db2.gz RCGGYZFYPCBYJQ-AWEZNQCLSA-N 1 0 313.825 3.493 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1O ZINC001658843816 1196308836 /nfs/dbraw/zinc/30/88/36/1196308836.db2.gz SUSBLMQNTLSHJZ-QGZVFWFLSA-N 1 0 319.832 3.301 20 10 DGCDRO COc1cc(C)c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c(O)c1 ZINC001658854681 1196310024 /nfs/dbraw/zinc/31/00/24/1196310024.db2.gz OTYRAKJZIGDYHS-UHFFFAOYSA-N 1 0 323.396 3.185 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(O)c(F)c2F)c1 ZINC001659139101 1196350542 /nfs/dbraw/zinc/35/05/42/1196350542.db2.gz UKAOAHVYJRVWMK-VIFPVBQESA-N 1 0 309.312 3.235 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c1O ZINC001659161017 1196353979 /nfs/dbraw/zinc/35/39/79/1196353979.db2.gz BAGHMDDCAGHJOQ-FQEVSTJZSA-N 1 0 324.468 3.313 20 10 DGCDRO COc1cc(C)c(C[N@H+](CCO)Cc2ccc(C)cc2)c(O)c1 ZINC001659194007 1196357848 /nfs/dbraw/zinc/35/78/48/1196357848.db2.gz PFFADAXLRRGZNP-UHFFFAOYSA-N 1 0 315.413 3.012 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(Cc3ccccc3C)CC2)c(O)c1 ZINC001659262023 1196364456 /nfs/dbraw/zinc/36/44/56/1196364456.db2.gz IENSCBPRGBAQGV-UHFFFAOYSA-N 1 0 310.441 3.327 20 10 DGCDRO CCC(CC)(C[NH2+]Cc1ccc(N(C)C)cc1C)C(=O)OC ZINC001659389016 1196378697 /nfs/dbraw/zinc/37/86/97/1196378697.db2.gz HFUAGWLUKMYYGA-UHFFFAOYSA-N 1 0 306.450 3.130 20 10 DGCDRO COCC[N@H+](Cc1c(C)cc(OC)cc1O)[C@H]1CC[C@H](C)C1 ZINC001659643913 1196401957 /nfs/dbraw/zinc/40/19/57/1196401957.db2.gz MHZOANUDCPFCNC-ZFWWWQNUSA-N 1 0 307.434 3.346 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c(O)c1 ZINC001659976950 1196433634 /nfs/dbraw/zinc/43/36/34/1196433634.db2.gz ISMHFRGISBFJTN-CYBMUJFWSA-N 1 0 313.397 3.322 20 10 DGCDRO O=C1Nc2ccccc2CC[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001660153839 1196451911 /nfs/dbraw/zinc/45/19/11/1196451911.db2.gz UDNZRYXOBPGUGG-OAHLLOKOSA-N 1 0 316.788 3.089 20 10 DGCDRO COC(=O)[C@@H](C[NH2+]Cc1ccc(C)cc1O)CC1CCCC1 ZINC001660178725 1196454769 /nfs/dbraw/zinc/45/47/69/1196454769.db2.gz SIINVZSRUHPHTR-MRXNPFEDSA-N 1 0 305.418 3.160 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC(c3ncccn3)CC2)cc1 ZINC001660241422 1196461225 /nfs/dbraw/zinc/46/12/25/1196461225.db2.gz CZCMXMDVVWDPMG-UHFFFAOYSA-N 1 0 310.445 3.312 20 10 DGCDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(C(C)C)ccc1O)C2 ZINC001660601337 1196501703 /nfs/dbraw/zinc/50/17/03/1196501703.db2.gz KQXSHCNCYJXJDF-LPHOPBHVSA-N 1 0 317.429 3.291 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2c(F)cc(O)cc2F)c1O ZINC001660766373 1196521598 /nfs/dbraw/zinc/52/15/98/1196521598.db2.gz KHUPROZAKCYNAZ-UHFFFAOYSA-N 1 0 307.340 3.271 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCCc2ccc(O)cc2)cc1F ZINC001661402394 1196601933 /nfs/dbraw/zinc/60/19/33/1196601933.db2.gz LXHHFMBXRFOLDD-UHFFFAOYSA-N 1 0 302.393 3.320 20 10 DGCDRO C[C@H](CCc1cccn1C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001661445113 1196606182 /nfs/dbraw/zinc/60/61/82/1196606182.db2.gz JWJSNJQPGQJIGY-CQSZACIVSA-N 1 0 303.425 3.341 20 10 DGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001661507927 1196613716 /nfs/dbraw/zinc/61/37/16/1196613716.db2.gz UXIALTBEZYMTQL-CABCVRRESA-N 1 0 307.457 3.102 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)ccc1OC ZINC001661524025 1196615441 /nfs/dbraw/zinc/61/54/41/1196615441.db2.gz LNWCGSCSEZEVKO-KBAYOESNSA-N 1 0 319.445 3.135 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)C2CC2)cc1C ZINC001662315095 1196706749 /nfs/dbraw/zinc/70/67/49/1196706749.db2.gz UUDSLXNDTHXYMH-CQSZACIVSA-N 1 0 318.461 3.034 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)cc1F ZINC001662888256 1196768210 /nfs/dbraw/zinc/76/82/10/1196768210.db2.gz GRJAXFXMZWSWPZ-QGZVFWFLSA-N 1 0 319.468 3.388 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)CCCO2 ZINC001662971226 1196778709 /nfs/dbraw/zinc/77/87/09/1196778709.db2.gz VCDQTDFDLZPDJV-OALUTQOASA-N 1 0 301.430 3.449 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](CCO)CCc1ccccc1 ZINC001663920829 1196957595 /nfs/dbraw/zinc/95/75/95/1196957595.db2.gz VCPSEXGDLARZRQ-UHFFFAOYSA-N 1 0 312.457 3.098 20 10 DGCDRO COc1cc(C)c(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC001664441107 1196999473 /nfs/dbraw/zinc/99/94/73/1196999473.db2.gz VVUAUSNFRJRKBE-KBPBESRZSA-N 1 0 307.434 3.393 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001664934747 1197080074 /nfs/dbraw/zinc/08/00/74/1197080074.db2.gz SOBVRTTVGVOIAT-SFHVURJKSA-N 1 0 305.418 3.254 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC2(Br)CC2)c1O ZINC001665808797 1197200439 /nfs/dbraw/zinc/20/04/39/1197200439.db2.gz FJGMOPVMZFYTRD-UHFFFAOYSA-N 1 0 320.614 3.071 20 10 DGCDRO CC(C)CCOC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001666608718 1197273050 /nfs/dbraw/zinc/27/30/50/1197273050.db2.gz HRVDROLRBZNMRS-KRWDZBQOSA-N 1 0 321.465 3.128 20 10 DGCDRO CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)cc1 ZINC000323932278 1197691212 /nfs/dbraw/zinc/69/12/12/1197691212.db2.gz ZSJCPTUNCLSOAQ-XJKSGUPXSA-N 1 0 324.424 3.398 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC(C)(C)C)cc1C ZINC001690553550 1200623140 /nfs/dbraw/zinc/62/31/40/1200623140.db2.gz YOCQEDKZOVFDPL-AWEZNQCLSA-N 1 0 306.450 3.034 20 10 DGCDRO CCCC1(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001690618911 1200652281 /nfs/dbraw/zinc/65/22/81/1200652281.db2.gz KALMCCVHIKJYOZ-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@@H](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690664064 1200677344 /nfs/dbraw/zinc/67/73/44/1200677344.db2.gz SRLGKYGMTBQYIG-PBHICJAKSA-N 1 0 318.461 3.130 20 10 DGCDRO COCC[N@H+](Cc1cc(Br)ccc1O)C(C)C ZINC000211645553 1201158072 /nfs/dbraw/zinc/15/80/72/1201158072.db2.gz YMEWACLVKYRGFG-UHFFFAOYSA-N 1 0 302.212 3.012 20 10 DGCDRO CC[C@@H](CNC(=O)C1(C)CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698610400 1201279669 /nfs/dbraw/zinc/27/96/69/1201279669.db2.gz QIQHLJAQCUFVFH-INIZCTEOSA-N 1 0 318.461 3.178 20 10 DGCDRO CCC(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)CC(C)C ZINC001698865821 1201521965 /nfs/dbraw/zinc/52/19/65/1201521965.db2.gz OKKAFJQGDGVTOK-MRXNPFEDSA-N 1 0 306.450 3.034 20 10 DGCDRO CC[C@H](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001752627526 1201879346 /nfs/dbraw/zinc/87/93/46/1201879346.db2.gz JSTGPLVIRIPAHZ-JQFCIGGWSA-N 1 0 318.461 3.177 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC000219105823 1202565078 /nfs/dbraw/zinc/56/50/78/1202565078.db2.gz RGTJEPVZZNSQDR-QGZVFWFLSA-N 1 0 302.443 3.172 20 10 DGCDRO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000226650963 1202589567 /nfs/dbraw/zinc/58/95/67/1202589567.db2.gz CPNYZUDXNIGWEV-OAHLLOKOSA-N 1 0 320.433 3.271 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(Br)o1 ZINC000188975470 1203241518 /nfs/dbraw/zinc/24/15/18/1203241518.db2.gz FVOSNRWQYIUDGK-UHFFFAOYSA-N 1 0 300.127 3.177 20 10 DGCDRO CC/C(C)=C\C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715336302 1203318145 /nfs/dbraw/zinc/31/81/45/1203318145.db2.gz SAXWYZRIYYVAMO-SCOADAFUSA-N 1 0 318.461 3.296 20 10 DGCDRO CC/C(C)=C/C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715336294 1203318610 /nfs/dbraw/zinc/31/86/10/1203318610.db2.gz SAXWYZRIYYVAMO-DKGMDFAASA-N 1 0 318.461 3.296 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)CC(C)(C)C ZINC001715721068 1203384320 /nfs/dbraw/zinc/38/43/20/1203384320.db2.gz VZBMGQOQDWUVSI-UHFFFAOYSA-N 1 0 320.477 3.378 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCC2CCC2)cc1C ZINC001715970655 1203413546 /nfs/dbraw/zinc/41/35/46/1203413546.db2.gz JSGLJXRKHPEUSC-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2=CCCC2)cc1C ZINC001732686001 1204929443 /nfs/dbraw/zinc/92/94/43/1204929443.db2.gz LYPODTZJHRBJPC-OAHLLOKOSA-N 1 0 316.445 3.098 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000694863507 1083149475 /nfs/dbraw/zinc/14/94/75/1083149475.db2.gz ANAYFNCDGUZQFW-MNOVXSKESA-N 1 0 314.223 3.154 20 10 DGCDRO Cn1c(Br)ccc1C[N@H+](C)Cc1ccccc1O ZINC001248777090 1105159873 /nfs/dbraw/zinc/15/98/73/1105159873.db2.gz XSXWANUUNYJFNF-UHFFFAOYSA-N 1 0 309.207 3.125 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1O ZINC001169733704 1081645890 /nfs/dbraw/zinc/64/58/90/1081645890.db2.gz WXVWPFNUKNLYAD-DOTOQJQBSA-N 1 0 324.424 3.348 20 10 DGCDRO CC[C@]1(C)C[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169766462 1081651052 /nfs/dbraw/zinc/65/10/52/1081651052.db2.gz RHPSRGGBUICJCT-QFBILLFUSA-N 1 0 318.461 3.036 20 10 DGCDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(Br)cc2O)O1 ZINC000691439645 1081714773 /nfs/dbraw/zinc/71/47/73/1081714773.db2.gz IBEJVWKNBVUUFE-LBPRGKRZSA-N 1 0 314.223 3.202 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@H]1CCCOC1 ZINC000691487991 1081923420 /nfs/dbraw/zinc/92/34/20/1081923420.db2.gz JQYCZHBJKQUJPL-PWSUYJOCSA-N 1 0 314.223 3.059 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000691485670 1081923313 /nfs/dbraw/zinc/92/33/13/1081923313.db2.gz ZSCPJEMQYCWEAS-IBGZPJMESA-N 1 0 310.441 3.319 20 10 DGCDRO Cn1c[nH+]cc1Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001211254263 1082099338 /nfs/dbraw/zinc/09/93/38/1082099338.db2.gz RYTJVFBDNKENAE-UHFFFAOYSA-N 1 0 322.372 3.390 20 10 DGCDRO CCC[N@H+](Cc1c(O)cccc1Cl)C1CCN(C(C)=O)CC1 ZINC001140342203 1082145199 /nfs/dbraw/zinc/14/51/99/1082145199.db2.gz XJTBYQKZYBCHAJ-UHFFFAOYSA-N 1 0 324.852 3.269 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H]3CC[C@H](C)C3)CC2)c(OC)c1 ZINC001170159245 1082267641 /nfs/dbraw/zinc/26/76/41/1082267641.db2.gz RWZNJZKMXYEWNG-GJZGRUSLSA-N 1 0 304.434 3.014 20 10 DGCDRO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Cl)cc1O ZINC001204581665 1082458618 /nfs/dbraw/zinc/45/86/18/1082458618.db2.gz VHFZSMIHGDCGBS-NRFANRHFSA-N 1 0 323.845 3.415 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)CC2CCC2)cc1C ZINC001267127064 1082544574 /nfs/dbraw/zinc/54/45/74/1082544574.db2.gz JDVVNYIDYAWRDT-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001170553144 1082660938 /nfs/dbraw/zinc/66/09/38/1082660938.db2.gz GTGKDWNMIVDJFZ-SJLPKXTDSA-N 1 0 316.445 3.060 20 10 DGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)CC2CCCC2)cc1C ZINC001267342335 1082819507 /nfs/dbraw/zinc/81/95/07/1082819507.db2.gz RKQUYBVTAACBJX-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC2(C)C)cc1C ZINC001132544044 1082937971 /nfs/dbraw/zinc/93/79/71/1082937971.db2.gz OWMAHORZPFMFNK-MRXNPFEDSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[C@H]2C)cc1C ZINC001133058312 1083037861 /nfs/dbraw/zinc/03/78/61/1083037861.db2.gz WNCLVRSSLNKRFD-PBHICJAKSA-N 1 0 318.461 3.036 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)cc1O ZINC001170676225 1083082638 /nfs/dbraw/zinc/08/26/38/1083082638.db2.gz XDNWAMFNKXPYDH-CYBMUJFWSA-N 1 0 305.324 3.023 20 10 DGCDRO CCCCC1(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001133362827 1083105643 /nfs/dbraw/zinc/10/56/43/1083105643.db2.gz XIARZDQAUFDRBP-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)F)cc1C ZINC001133477756 1083135472 /nfs/dbraw/zinc/13/54/72/1083135472.db2.gz RHJGTOBPXINYIE-UONOGXRCSA-N 1 0 324.440 3.125 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H]2CCOc3c(F)cccc32)c(O)c1 ZINC001180897750 1083374074 /nfs/dbraw/zinc/37/40/74/1083374074.db2.gz YXQCBERLSORFGN-INIZCTEOSA-N 1 0 317.360 3.462 20 10 DGCDRO Cc1ccc(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)c(O)c1 ZINC001181206749 1083427361 /nfs/dbraw/zinc/42/73/61/1083427361.db2.gz YOVYTLHMRXGAPN-PKNBQFBNSA-N 1 0 324.424 3.010 20 10 DGCDRO CC[C@@H](CO)[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001182098023 1083626484 /nfs/dbraw/zinc/62/64/84/1083626484.db2.gz CTXOSCASEFBFQX-FQEVSTJZSA-N 1 0 324.468 3.452 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(O)c1 ZINC001182297032 1083677393 /nfs/dbraw/zinc/67/73/93/1083677393.db2.gz BNMLCEBDBBIWJH-ZWKOTPCHSA-N 1 0 319.445 3.082 20 10 DGCDRO CC[N@H+](Cc1cc(C)c(Br)cc1O)CC(C)(C)O ZINC001250133331 1084051765 /nfs/dbraw/zinc/05/17/65/1084051765.db2.gz KYOKZAFVKRTLBJ-UHFFFAOYSA-N 1 0 316.239 3.056 20 10 DGCDRO CC/C=C(\C)C(=O)NC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481794187 1084637382 /nfs/dbraw/zinc/63/73/82/1084637382.db2.gz NDOZZVUCCBXLDL-AAKUMTKESA-N 1 0 318.461 3.344 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001203657233 1084778249 /nfs/dbraw/zinc/77/82/49/1084778249.db2.gz IIHMWPUSDDSUDI-MRXNPFEDSA-N 1 0 318.804 3.484 20 10 DGCDRO Cc1cc2cc(NCCc3cc(O)c(O)cc3O)ccc2c[nH+]1 ZINC001168015706 1086297563 /nfs/dbraw/zinc/29/75/63/1086297563.db2.gz GASCGPYEGOGDOD-UHFFFAOYSA-N 1 0 310.353 3.315 20 10 DGCDRO CCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001088242789 1086711285 /nfs/dbraw/zinc/71/12/85/1086711285.db2.gz GRESUBMFFDLATJ-KRWDZBQOSA-N 1 0 318.461 3.274 20 10 DGCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/C(C)(C)C)[NH+](C)C)cc1 ZINC001158718427 1087988431 /nfs/dbraw/zinc/98/84/31/1087988431.db2.gz XRRZHGJDXWOLKH-UJGDBWEASA-N 1 0 317.477 3.074 20 10 DGCDRO CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1O ZINC001272619470 1088326510 /nfs/dbraw/zinc/32/65/10/1088326510.db2.gz WEGFARPZDAJIDD-IBGZPJMESA-N 1 0 316.445 3.149 20 10 DGCDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)ccc1O ZINC001272622330 1088331707 /nfs/dbraw/zinc/33/17/07/1088331707.db2.gz DUNJZAZMROPNPZ-USXIJHARSA-N 1 0 316.445 3.064 20 10 DGCDRO O=C1c2ccccc2C(=O)c2cc(NC3=CCC[NH2+]CC3)ccc21 ZINC001159438216 1088350688 /nfs/dbraw/zinc/35/06/88/1088350688.db2.gz IWTQQKXIYZUSTK-UHFFFAOYSA-N 1 0 318.376 3.141 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2(O)CCC(C)(C)CC2)cc1F ZINC001203228101 1088503291 /nfs/dbraw/zinc/50/32/91/1088503291.db2.gz NTXVHPNNLHGNCO-UHFFFAOYSA-N 1 0 308.441 3.313 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)C2CCCCC2)cc1C ZINC001154254798 1088537556 /nfs/dbraw/zinc/53/75/56/1088537556.db2.gz QSWLSLRDRVORET-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO Nc1ccc(Nc2ccc(Br)c3c2C[NH2+]CC3)cc1 ZINC001159941683 1088561591 /nfs/dbraw/zinc/56/15/91/1088561591.db2.gz JMWWXJGOFFAKDN-UHFFFAOYSA-N 1 0 318.218 3.421 20 10 DGCDRO CN(C)c1cccc(NCc2cc(Br)ccc2O)[nH+]1 ZINC001160012750 1088601585 /nfs/dbraw/zinc/60/15/85/1088601585.db2.gz TVMWFBGUSMBVDK-UHFFFAOYSA-N 1 0 322.206 3.228 20 10 DGCDRO Nc1ccc(Nc2cccc(F)c2N2CCC([NH3+])CC2)cc1 ZINC001160108511 1088641760 /nfs/dbraw/zinc/64/17/60/1088641760.db2.gz MSZHTYNTPNAPOU-UHFFFAOYSA-N 1 0 300.381 3.079 20 10 DGCDRO c1ccc(Nc2ccc3c(c2)CCCN3)c(CN2CC[NH2+]CC2)c1 ZINC001160296761 1088747394 /nfs/dbraw/zinc/74/73/94/1088747394.db2.gz HVGSOBWAWQSENC-UHFFFAOYSA-N 1 0 322.456 3.194 20 10 DGCDRO CCC[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155875828 1089281826 /nfs/dbraw/zinc/28/18/26/1089281826.db2.gz SZXJINWMSSEGNR-CQSZACIVSA-N 1 0 306.450 3.036 20 10 DGCDRO CC(C)N(CCC[NH3+])c1ccc(OC(F)(F)C(F)F)cc1 ZINC001164122884 1090348797 /nfs/dbraw/zinc/34/87/97/1090348797.db2.gz RPPQQEJSCMVZMP-UHFFFAOYSA-N 1 0 308.319 3.487 20 10 DGCDRO [NH3+][C@H]1CCN(c2c(Cl)cc(OC(F)(F)F)cc2Cl)C1 ZINC001164286733 1090394677 /nfs/dbraw/zinc/39/46/77/1090394677.db2.gz XCFMAWZSZUAAPF-LURJTMIESA-N 1 0 315.122 3.429 20 10 DGCDRO N[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CCC1(F)F ZINC001206682588 1090443870 /nfs/dbraw/zinc/44/38/70/1090443870.db2.gz BXNJRNWWYMASRI-INIZCTEOSA-N 1 0 318.367 3.228 20 10 DGCDRO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C)cc2O)C1=O ZINC001272766402 1090561858 /nfs/dbraw/zinc/56/18/58/1090561858.db2.gz PXECUAKVHPLAMV-KXBFYZLASA-N 1 0 316.445 3.066 20 10 DGCDRO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1O ZINC001203555651 1090754667 /nfs/dbraw/zinc/75/46/67/1090754667.db2.gz BHHXUFACKJWMBB-UHFFFAOYSA-N 1 0 308.422 3.127 20 10 DGCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2O)N1c1ccccc1 ZINC001203552120 1090754690 /nfs/dbraw/zinc/75/46/90/1090754690.db2.gz BKWCJQBJGYGXRQ-QZTJIDSGSA-N 1 0 322.408 3.162 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203558653 1090755831 /nfs/dbraw/zinc/75/58/31/1090755831.db2.gz SKLOEWFOJVVHRG-HNNXBMFYSA-N 1 0 320.433 3.224 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001203560584 1090756879 /nfs/dbraw/zinc/75/68/79/1090756879.db2.gz DGMCZLRRASGDJP-HIFRSBDPSA-N 1 0 320.433 3.127 20 10 DGCDRO C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC001203562343 1090757729 /nfs/dbraw/zinc/75/77/29/1090757729.db2.gz IQBKWPHCJYTLJY-OAHLLOKOSA-N 1 0 314.404 3.410 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c1O ZINC001203595808 1090764273 /nfs/dbraw/zinc/76/42/73/1090764273.db2.gz NUTUOYDWMHKURY-QGZVFWFLSA-N 1 0 313.397 3.192 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c1O ZINC001203602350 1090765476 /nfs/dbraw/zinc/76/54/76/1090765476.db2.gz QHZVWRQBEYUGLA-CYBMUJFWSA-N 1 0 303.324 3.360 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](COCC3CC3)C2)c1O ZINC001203613689 1090766532 /nfs/dbraw/zinc/76/65/32/1090766532.db2.gz FKGCSKHZOXHWMB-HNNXBMFYSA-N 1 0 305.418 3.039 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c(O)c1 ZINC001203630365 1090768728 /nfs/dbraw/zinc/76/87/28/1090768728.db2.gz QXFIGOIVJDJTQV-GOSISDBHSA-N 1 0 313.397 3.192 20 10 DGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(OC)ccc1O)C2 ZINC001203670796 1090776996 /nfs/dbraw/zinc/77/69/96/1090776996.db2.gz FSPOZQQSLYFBSZ-QAPCUYQASA-N 1 0 305.418 3.039 20 10 DGCDRO COc1ccc(O)c(CN2CCc3cc(F)c(F)cc3C2)c1 ZINC001203683859 1090779608 /nfs/dbraw/zinc/77/96/08/1090779608.db2.gz GHEZSMLOOHNWQU-UHFFFAOYSA-N 1 0 305.324 3.237 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(O)c(O)c1 ZINC001203878810 1090825488 /nfs/dbraw/zinc/82/54/88/1090825488.db2.gz CLRWOCNTRFTXQI-UHFFFAOYSA-N 1 0 300.402 3.186 20 10 DGCDRO Oc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1O ZINC001203883719 1090826268 /nfs/dbraw/zinc/82/62/68/1090826268.db2.gz MEQOVNBFOURXDA-INIZCTEOSA-N 1 0 301.361 3.444 20 10 DGCDRO CC(C)(C)OC(=O)CC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203880730 1090826485 /nfs/dbraw/zinc/82/64/85/1090826485.db2.gz XNGDBZJCJSLBHY-UHFFFAOYSA-N 1 0 321.417 3.042 20 10 DGCDRO Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203936804 1090844698 /nfs/dbraw/zinc/84/46/98/1090844698.db2.gz NUVMQOHTJRSMPI-GOSISDBHSA-N 1 0 311.429 3.109 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)cc1 ZINC001203936217 1090844767 /nfs/dbraw/zinc/84/47/67/1090844767.db2.gz KMNOYQJYNBIGDQ-IBGZPJMESA-N 1 0 311.429 3.191 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)[C@@H]2C)cc1 ZINC001203942415 1090846012 /nfs/dbraw/zinc/84/60/12/1090846012.db2.gz PMUUKCZFBIDTRU-YJBOKZPZSA-N 1 0 318.461 3.306 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)cc1 ZINC001203941984 1090846080 /nfs/dbraw/zinc/84/60/80/1090846080.db2.gz JBNQUOUBWAIDKS-UHFFFAOYSA-N 1 0 311.429 3.192 20 10 DGCDRO CCN(CC)c1ccc(CN2[C@H]3CC[C@H](C3)[C@H]2C(=O)OC)cc1 ZINC001203943410 1090846775 /nfs/dbraw/zinc/84/67/75/1090846775.db2.gz ADBTVVSADQNXAL-NJAFHUGGSA-N 1 0 316.445 3.059 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)cc1 ZINC001203946852 1090848585 /nfs/dbraw/zinc/84/85/85/1090848585.db2.gz YHACHVVVABBPJI-IEBWSBKVSA-N 1 0 301.478 3.059 20 10 DGCDRO COCC[NH+](CCOC)Cc1ccc(N(C)C)c2ccccc12 ZINC001204234183 1090931543 /nfs/dbraw/zinc/93/15/43/1090931543.db2.gz YDRJKJQSMUEDIC-UHFFFAOYSA-N 1 0 316.445 3.001 20 10 DGCDRO C[N@H+](Cc1cccc(Br)c1)Cc1ccc(O)cc1O ZINC001204276585 1090938224 /nfs/dbraw/zinc/93/82/24/1090938224.db2.gz NSVDWEPSLZUBAE-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO COC1(c2ccccc2)CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204279994 1090939326 /nfs/dbraw/zinc/93/93/26/1090939326.db2.gz HSWXKXOAVYKCLL-UHFFFAOYSA-N 1 0 313.397 3.236 20 10 DGCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204323027 1090949729 /nfs/dbraw/zinc/94/97/29/1090949729.db2.gz ZDRXTSIMXCCIAX-QGZVFWFLSA-N 1 0 316.445 3.062 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329580 1090950244 /nfs/dbraw/zinc/95/02/44/1090950244.db2.gz QTXFBHZSBRIJRF-QGZVFWFLSA-N 1 0 316.445 3.062 20 10 DGCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328863 1090950607 /nfs/dbraw/zinc/95/06/07/1090950607.db2.gz QTURLSIGQFKWRE-LJQANCHMSA-N 1 0 301.478 3.201 20 10 DGCDRO FC1(F)CO[C@@]2(CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001204328125 1090950748 /nfs/dbraw/zinc/95/07/48/1090950748.db2.gz CIQIPISZJNOGAL-KRWDZBQOSA-N 1 0 322.399 3.287 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1O ZINC001204341267 1090951862 /nfs/dbraw/zinc/95/18/62/1090951862.db2.gz BLAYSSWOCWTSFJ-SKDRFNHKSA-N 1 0 312.207 3.148 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001143159860 1091018672 /nfs/dbraw/zinc/01/86/72/1091018672.db2.gz IIDSVPSBLLJLLJ-UHFFFAOYSA-N 1 0 313.397 3.363 20 10 DGCDRO CC[C@H](C)[C@@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC001205101414 1091102046 /nfs/dbraw/zinc/10/20/46/1091102046.db2.gz SBSKIDZNEJTXHK-VDZJLULYSA-N 1 0 321.461 3.434 20 10 DGCDRO O[C@]1(CF)CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215499 1091118301 /nfs/dbraw/zinc/11/83/01/1091118301.db2.gz HUBBZUKAPFVBCX-IBGZPJMESA-N 1 0 320.452 3.363 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]1(C)O ZINC001138215682 1091118772 /nfs/dbraw/zinc/11/87/72/1091118772.db2.gz OPBNGSXCUPNOOU-VQIMIIECSA-N 1 0 302.462 3.270 20 10 DGCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219591 1091118825 /nfs/dbraw/zinc/11/88/25/1091118825.db2.gz ICNHGSPQXKFMMX-QGZVFWFLSA-N 1 0 316.445 3.062 20 10 DGCDRO CC1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138336691 1091145318 /nfs/dbraw/zinc/14/53/18/1091145318.db2.gz WCFMAKJIESJIBN-UHFFFAOYSA-N 1 0 300.446 3.323 20 10 DGCDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338347 1091146691 /nfs/dbraw/zinc/14/66/91/1091146691.db2.gz OXCPNINUAJOJAR-IUODEOHRSA-N 1 0 304.409 3.023 20 10 DGCDRO Oc1c(C[NH+]2CCC3(CC3)CC2)cc2c3c1CCCN3CCC2 ZINC001138337960 1091146707 /nfs/dbraw/zinc/14/67/07/1091146707.db2.gz HZNFHAPCQDBYPN-UHFFFAOYSA-N 1 0 312.457 3.467 20 10 DGCDRO Oc1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc2c3c1CCCN3CCC2 ZINC001138339681 1091146851 /nfs/dbraw/zinc/14/68/51/1091146851.db2.gz IJGBADWDXQZOHF-QRTARXTBSA-N 1 0 316.420 3.023 20 10 DGCDRO C[C@@]1(F)CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138338219 1091147374 /nfs/dbraw/zinc/14/73/74/1091147374.db2.gz NOEZDOQCQFYLFB-LJQANCHMSA-N 1 0 318.436 3.415 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H]4CCCO[C@@H]4C3)ccc21 ZINC001138355859 1091149601 /nfs/dbraw/zinc/14/96/01/1091149601.db2.gz XEJBAYUKSJTJRB-QFBILLFUSA-N 1 0 300.446 3.070 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)CC[C@@]1(C)O ZINC001138354555 1091150428 /nfs/dbraw/zinc/15/04/28/1091150428.db2.gz NAJOFUIMYAZFED-HNAYVOBHSA-N 1 0 302.462 3.052 20 10 DGCDRO CN1CCCc2cc(C[N@H+](C)Cc3cnc4ccccn34)ccc21 ZINC001138354429 1091150728 /nfs/dbraw/zinc/15/07/28/1091150728.db2.gz JPQCIOZKVMWWSS-UHFFFAOYSA-N 1 0 320.440 3.349 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(OC)c1 ZINC001138386462 1091161138 /nfs/dbraw/zinc/16/11/38/1091161138.db2.gz NSHKBFUSDVETIM-LJQANCHMSA-N 1 0 320.477 3.278 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c(OC)c1 ZINC001138389203 1091162859 /nfs/dbraw/zinc/16/28/59/1091162859.db2.gz DZYRXXDEYLHPRS-SFHVURJKSA-N 1 0 320.477 3.277 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[N@H+](C)C(C)(C)C2)c(OC)c1 ZINC001138390380 1091166067 /nfs/dbraw/zinc/16/60/67/1091166067.db2.gz UYCONNQNLNUACB-UHFFFAOYSA-N 1 0 319.493 3.067 20 10 DGCDRO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@@H]1C ZINC001138497037 1091205589 /nfs/dbraw/zinc/20/55/89/1091205589.db2.gz YNWFQFFHODXNRE-IRXDYDNUSA-N 1 0 302.462 3.391 20 10 DGCDRO Oc1cccc(F)c1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC001137837921 1091209335 /nfs/dbraw/zinc/20/93/35/1091209335.db2.gz ZGJLDEBWHBQEOA-UHFFFAOYSA-N 1 0 314.404 3.239 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1Cl ZINC001205668301 1091304038 /nfs/dbraw/zinc/30/40/38/1091304038.db2.gz XXQXDZJKRSAONC-HNNXBMFYSA-N 1 0 308.853 3.461 20 10 DGCDRO Cc1c(CN2CCCC[C@](F)(C[NH3+])C2)c2ccccc2n1C ZINC001206344640 1091586925 /nfs/dbraw/zinc/58/69/25/1091586925.db2.gz VKWRDUJFRVFPEK-SFHVURJKSA-N 1 0 303.425 3.140 20 10 DGCDRO [NH3+]C[C@]1(F)CCCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001206369817 1091602056 /nfs/dbraw/zinc/60/20/56/1091602056.db2.gz IJRSJCSCYUCDOO-CQSZACIVSA-N 1 0 321.223 3.352 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673336 1091639054 /nfs/dbraw/zinc/63/90/54/1091639054.db2.gz FLFAJRIBIWGJTC-LJQANCHMSA-N 1 0 318.461 3.226 20 10 DGCDRO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cc(Cl)c(Cl)cc1O ZINC001206811506 1091751259 /nfs/dbraw/zinc/75/12/59/1091751259.db2.gz VQZOMMZBCGPADD-ZJUUUORDSA-N 1 0 303.233 3.258 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001140055126 1091752080 /nfs/dbraw/zinc/75/20/80/1091752080.db2.gz JZZOXBNAHTYQIC-QGZVFWFLSA-N 1 0 301.361 3.322 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCCN(c3ccccn3)CC2)c1O ZINC001140178844 1091791330 /nfs/dbraw/zinc/79/13/30/1091791330.db2.gz ZPVOVTYPEUNMKP-UHFFFAOYSA-N 1 0 311.429 3.116 20 10 DGCDRO Cc1ccc(C)c(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001140179891 1091793617 /nfs/dbraw/zinc/79/36/17/1091793617.db2.gz QPOLDOOOACOCFH-IBGZPJMESA-N 1 0 310.441 3.498 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC001140184497 1091794551 /nfs/dbraw/zinc/79/45/51/1091794551.db2.gz WURXYNGEGNRPFN-SFHVURJKSA-N 1 0 311.425 3.453 20 10 DGCDRO C[C@]1(F)CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282877 1091814928 /nfs/dbraw/zinc/81/49/28/1091814928.db2.gz IXFQNVBNKJJSTF-IBGZPJMESA-N 1 0 320.452 3.362 20 10 DGCDRO CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C(C)C)cc2)CC1 ZINC001140306266 1091820902 /nfs/dbraw/zinc/82/09/02/1091820902.db2.gz QZXDNAXUMQHEQC-HXUWFJFHSA-N 1 0 315.505 3.449 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001140342706 1091836100 /nfs/dbraw/zinc/83/61/00/1091836100.db2.gz VIBHUTHAQZOPQN-GJZGRUSLSA-N 1 0 312.816 3.054 20 10 DGCDRO CCc1nccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001207086540 1091841159 /nfs/dbraw/zinc/84/11/59/1091841159.db2.gz PEYOHVPOEPPRED-UHFFFAOYSA-N 1 0 310.445 3.271 20 10 DGCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461845 1091876104 /nfs/dbraw/zinc/87/61/04/1091876104.db2.gz VIKRITCDQHDWEG-CQSZACIVSA-N 1 0 324.852 3.126 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@]1(O)C(F)(F)F ZINC001140462857 1091876810 /nfs/dbraw/zinc/87/68/10/1091876810.db2.gz MSJHPVUHTVJIGX-TVQRCGJNSA-N 1 0 323.742 3.181 20 10 DGCDRO C[N@@H+](Cc1ccc(Cl)cc1O)C[C@@H]1Cc2ccccc2O1 ZINC001140468324 1091877839 /nfs/dbraw/zinc/87/78/39/1091877839.db2.gz GCUXNCIFTWQXNB-HNNXBMFYSA-N 1 0 303.789 3.481 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccc(Cl)cc1O)C1CCCC1 ZINC001140466239 1091878123 /nfs/dbraw/zinc/87/81/23/1091878123.db2.gz CFPJMTXYRVMFRK-UHFFFAOYSA-N 1 0 311.809 3.353 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001140467268 1091878965 /nfs/dbraw/zinc/87/89/65/1091878965.db2.gz SQXYMNUDWHHVRP-HNNXBMFYSA-N 1 0 304.777 3.094 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1 ZINC001140617271 1091932615 /nfs/dbraw/zinc/93/26/15/1091932615.db2.gz JWIVWOONBZYSRA-WFASDCNBSA-N 1 0 317.351 3.226 20 10 DGCDRO Cc1ccc(O)c(CN2CC[NH+](CC3CCCCC3)CC2)c1 ZINC001140617466 1091933608 /nfs/dbraw/zinc/93/36/08/1091933608.db2.gz PTWQJNZMBDSGCT-UHFFFAOYSA-N 1 0 302.462 3.399 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC001207351025 1091934544 /nfs/dbraw/zinc/93/45/44/1091934544.db2.gz UOBWYYUXCIJICC-INIZCTEOSA-N 1 0 318.461 3.022 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2cncc(Br)c2)c1 ZINC001140619905 1091934540 /nfs/dbraw/zinc/93/45/40/1091934540.db2.gz UNXALLDPZUYGMV-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c1 ZINC001140623138 1091934588 /nfs/dbraw/zinc/93/45/88/1091934588.db2.gz GZRWELPEDJXEEV-OAHLLOKOSA-N 1 0 305.418 3.397 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c1 ZINC001140623113 1091934710 /nfs/dbraw/zinc/93/47/10/1091934710.db2.gz LNROZFYWRUJVCX-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)no1 ZINC001140623191 1091935099 /nfs/dbraw/zinc/93/50/99/1091935099.db2.gz JTVGSUAIPPOLQL-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c1 ZINC001140624231 1091937002 /nfs/dbraw/zinc/93/70/02/1091937002.db2.gz LWKRAQVZRZCQQY-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140662473 1091950871 /nfs/dbraw/zinc/95/08/71/1091950871.db2.gz VSIGQZJMIYATEK-GASCZTMLSA-N 1 0 306.425 3.425 20 10 DGCDRO C[N@H+](Cc1cc(Br)ccn1)Cc1ccccc1O ZINC001140766863 1091991609 /nfs/dbraw/zinc/99/16/09/1091991609.db2.gz UUOVDRVANUETFL-UHFFFAOYSA-N 1 0 307.191 3.182 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c(O)c1 ZINC001140850660 1092029536 /nfs/dbraw/zinc/02/95/36/1092029536.db2.gz PVWVSAQEHIDKIA-BEFAXECRSA-N 1 0 320.477 3.221 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(O)c1 ZINC001140851041 1092029769 /nfs/dbraw/zinc/02/97/69/1092029769.db2.gz ZBKATQMDNGBIPI-BEFAXECRSA-N 1 0 318.461 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3occc3C2)c(O)c1 ZINC001140856350 1092030377 /nfs/dbraw/zinc/03/03/77/1092030377.db2.gz YPPUCOKWLYCDSN-UHFFFAOYSA-N 1 0 300.402 3.390 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@H]([NH+](CC)CC)C2)c(O)c1 ZINC001140856239 1092030733 /nfs/dbraw/zinc/03/07/33/1092030733.db2.gz UUYJCGSLPNSEHS-SFHVURJKSA-N 1 0 319.493 3.155 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)CCc1ccccc1 ZINC001207588068 1092031183 /nfs/dbraw/zinc/03/11/83/1092031183.db2.gz FNSYAOUGVXIDSS-IBGZPJMESA-N 1 0 312.457 3.144 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)CC[C@]1(C)O ZINC001140921275 1092062521 /nfs/dbraw/zinc/06/25/21/1092062521.db2.gz AQAWAAMSPLCSQI-GUYCJALGSA-N 1 0 310.869 3.389 20 10 DGCDRO CC[N@H+](CCn1ccnc1)Cc1ccc(N(C)C)cc1Cl ZINC001140926220 1092066402 /nfs/dbraw/zinc/06/64/02/1092066402.db2.gz ILRHSIXFNQXMBA-UHFFFAOYSA-N 1 0 306.841 3.125 20 10 DGCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926049 1092067345 /nfs/dbraw/zinc/06/73/45/1092067345.db2.gz YHLIQRFLDYWWCY-OCCSQVGLSA-N 1 0 324.852 3.180 20 10 DGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(O)c1 ZINC001140951104 1092077410 /nfs/dbraw/zinc/07/74/10/1092077410.db2.gz ZDCHZOUFTOXGBI-AZUAARDMSA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1ccc(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140954344 1092080110 /nfs/dbraw/zinc/08/01/10/1092080110.db2.gz QQIYZZPWFBJZDX-UHFFFAOYSA-N 1 0 320.433 3.047 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(O)c1 ZINC001140954485 1092080503 /nfs/dbraw/zinc/08/05/03/1092080503.db2.gz UHMUUDKICWSOOL-QGZVFWFLSA-N 1 0 301.361 3.493 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(OC)c1 ZINC001141028450 1092111304 /nfs/dbraw/zinc/11/13/04/1092111304.db2.gz OZHWJYLHFCLDCQ-KGLIPLIRSA-N 1 0 305.418 3.422 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCCC1=O ZINC001141075073 1092130086 /nfs/dbraw/zinc/13/00/86/1092130086.db2.gz XTLICFXQIDKRQE-HNNXBMFYSA-N 1 0 312.457 3.186 20 10 DGCDRO CC(C)[C@H]1COCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078328 1092131260 /nfs/dbraw/zinc/13/12/60/1092131260.db2.gz RZPJAHNNORQXCI-LJQANCHMSA-N 1 0 314.473 3.242 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H]3c3cccnc3)ccc21 ZINC001141141406 1092148532 /nfs/dbraw/zinc/14/85/32/1092148532.db2.gz YDZDZWOKCSKFQT-KRWDZBQOSA-N 1 0 309.413 3.247 20 10 DGCDRO CN1CCOc2cc(C[NH+]3CCC(c4ccccn4)CC3)ccc21 ZINC001141143380 1092151062 /nfs/dbraw/zinc/15/10/62/1092151062.db2.gz WSOCCORBUJCWOC-UHFFFAOYSA-N 1 0 323.440 3.290 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC001141158913 1092155756 /nfs/dbraw/zinc/15/57/56/1092155756.db2.gz RIXGZXNDKBJGLU-UHFFFAOYSA-N 1 0 317.360 3.280 20 10 DGCDRO Cc1ccc(O[C@H]2CCC[N@H+](Cc3cc(O)ccc3O)C2)cc1 ZINC001141158797 1092156045 /nfs/dbraw/zinc/15/60/45/1092156045.db2.gz NMFLZCTUBXMEOC-SFHVURJKSA-N 1 0 313.397 3.450 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC(Sc3ccncc3)CC2)c1 ZINC001141159275 1092156198 /nfs/dbraw/zinc/15/61/98/1092156198.db2.gz BWYSSYYMHSMENZ-UHFFFAOYSA-N 1 0 316.426 3.250 20 10 DGCDRO CS[C@H](C)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001208144082 1092215921 /nfs/dbraw/zinc/21/59/21/1092215921.db2.gz VTEDLVROUJZPHQ-OAHLLOKOSA-N 1 0 308.491 3.097 20 10 DGCDRO CC[N@H+](Cc1ccc(C(F)(F)F)nn1)Cc1ccccc1O ZINC001141499260 1092259215 /nfs/dbraw/zinc/25/92/15/1092259215.db2.gz ZOKBIXUFTDVOSK-UHFFFAOYSA-N 1 0 311.307 3.223 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001168826167 1092384801 /nfs/dbraw/zinc/38/48/01/1092384801.db2.gz XABWROMBTCSVEX-MJBXVCDLSA-N 1 0 320.433 3.441 20 10 DGCDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001168967491 1092468605 /nfs/dbraw/zinc/46/86/05/1092468605.db2.gz QCWLRECBUFMSFF-IRXDYDNUSA-N 1 0 317.433 3.212 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023292 1092505268 /nfs/dbraw/zinc/50/52/68/1092505268.db2.gz FDUDXTISOYVDTC-SJLPKXTDSA-N 1 0 317.433 3.164 20 10 DGCDRO C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111880 1092616074 /nfs/dbraw/zinc/61/60/74/1092616074.db2.gz HJIWCTRVPLPZIC-IBGZPJMESA-N 1 0 302.462 3.217 20 10 DGCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116406 1092618850 /nfs/dbraw/zinc/61/88/50/1092618850.db2.gz AGLMBHVASYWXPQ-INIZCTEOSA-N 1 0 318.461 3.132 20 10 DGCDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001169449914 1092688285 /nfs/dbraw/zinc/68/82/85/1092688285.db2.gz XLWAZEIOPWFMRH-GJZGRUSLSA-N 1 0 305.466 3.050 20 10 DGCDRO CCCCCCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001149807234 1092733747 /nfs/dbraw/zinc/73/37/47/1092733747.db2.gz DMHVNXCWAQHTQR-UHFFFAOYSA-N 1 0 306.450 3.180 20 10 DGCDRO Oc1cccc2c1CN(Cc1n[nH]c3ccc(Cl)cc31)CC2 ZINC001209758624 1092908204 /nfs/dbraw/zinc/90/82/04/1092908204.db2.gz IFKFQIDQJASREL-UHFFFAOYSA-N 1 0 313.788 3.480 20 10 DGCDRO CC[NH+](CC)Cc1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001209824393 1092938714 /nfs/dbraw/zinc/93/87/14/1092938714.db2.gz UURQQWAMAZGRPJ-UHFFFAOYSA-N 1 0 313.445 3.241 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCN[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001210354951 1093135068 /nfs/dbraw/zinc/13/50/68/1093135068.db2.gz GHAAEUCNSQFOPK-GOSISDBHSA-N 1 0 310.441 3.026 20 10 DGCDRO C[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1ccc(F)cc1 ZINC001218194980 1094653144 /nfs/dbraw/zinc/65/31/44/1094653144.db2.gz CXPQLDXCUVMVQK-CQSZACIVSA-N 1 0 300.377 3.375 20 10 DGCDRO C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1 ZINC001336889366 1094774916 /nfs/dbraw/zinc/77/49/16/1094774916.db2.gz SQBDVQVXOBIRCF-AEGPPILISA-N 1 0 308.853 3.208 20 10 DGCDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001218956035 1094913746 /nfs/dbraw/zinc/91/37/46/1094913746.db2.gz SIJDCGIGLBCGOR-BEFAXECRSA-N 1 0 323.440 3.190 20 10 DGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000691682473 1094947237 /nfs/dbraw/zinc/94/72/37/1094947237.db2.gz PMRMCHPPHQWNQC-CYBMUJFWSA-N 1 0 314.223 3.156 20 10 DGCDRO CCOC1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CCCC1 ZINC000315175660 1095092109 /nfs/dbraw/zinc/09/21/09/1095092109.db2.gz JDTHUPZSFFHFIK-UHFFFAOYSA-N 1 0 313.825 3.493 20 10 DGCDRO CCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC[NH2+]CC1 ZINC000315286163 1095097998 /nfs/dbraw/zinc/09/79/98/1095097998.db2.gz VEXMNAANEOWDIP-UHFFFAOYSA-N 1 0 324.852 3.212 20 10 DGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000315997982 1095151564 /nfs/dbraw/zinc/15/15/64/1095151564.db2.gz ZUMAIONWXZOCMS-JFIYKMOQSA-N 1 0 302.462 3.438 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001171099764 1095365328 /nfs/dbraw/zinc/36/53/28/1095365328.db2.gz KYZRNYWTJILHCM-OAHLLOKOSA-N 1 0 303.789 3.398 20 10 DGCDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116017132 1095436569 /nfs/dbraw/zinc/43/65/69/1095436569.db2.gz HKBXLCWRVQQGDA-INIZCTEOSA-N 1 0 321.484 3.492 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222244077 1095507351 /nfs/dbraw/zinc/50/73/51/1095507351.db2.gz SONIADIVNUZOLG-HXUWFJFHSA-N 1 0 313.489 3.395 20 10 DGCDRO CC(C)(C)c1ccc(CN2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222253411 1095513229 /nfs/dbraw/zinc/51/32/29/1095513229.db2.gz OTZVYWOZNUHDEJ-LJQANCHMSA-N 1 0 302.462 3.408 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222252278 1095513722 /nfs/dbraw/zinc/51/37/22/1095513722.db2.gz BXJPZHWNPHWMEM-HNNXBMFYSA-N 1 0 314.351 3.129 20 10 DGCDRO CCC[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)CC1CC1 ZINC001116327006 1095516772 /nfs/dbraw/zinc/51/67/72/1095516772.db2.gz HYCKGRFJXCXTRD-UHFFFAOYSA-N 1 0 319.468 3.200 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H](O)C(F)(F)F ZINC001116425118 1095544695 /nfs/dbraw/zinc/54/46/95/1095544695.db2.gz TYNGBRSIEAQIFB-CABCVRRESA-N 1 0 316.367 3.078 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H](O)C(F)(F)F ZINC001116425121 1095545760 /nfs/dbraw/zinc/54/57/60/1095545760.db2.gz TYNGBRSIEAQIFB-LSDHHAIUSA-N 1 0 316.367 3.078 20 10 DGCDRO CCC1(O)CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001116460504 1095562565 /nfs/dbraw/zinc/56/25/65/1095562565.db2.gz SKOIERZALYZULR-UHFFFAOYSA-N 1 0 302.462 3.460 20 10 DGCDRO CC[C@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1ccc(N(C)C)cc1 ZINC001116459164 1095563299 /nfs/dbraw/zinc/56/32/99/1095563299.db2.gz BUEGJUIQOPRTTG-KRWDZBQOSA-N 1 0 314.433 3.106 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCC[C@]3(CCCC[NH2+]3)C2)c1O ZINC001222396898 1095591988 /nfs/dbraw/zinc/59/19/88/1095591988.db2.gz XOXJYONLXGAASP-QGZVFWFLSA-N 1 0 308.853 3.462 20 10 DGCDRO Cc1c(N)cc[nH+]c1NCc1cc(Br)ccc1O ZINC001171174117 1095639927 /nfs/dbraw/zinc/63/99/27/1095639927.db2.gz IZNDXRJHCUZYIA-UHFFFAOYSA-N 1 0 308.179 3.052 20 10 DGCDRO Oc1cc(O)c(C[NH+]2CCC(Cc3ccccc3)CC2)c(O)c1 ZINC001144500595 1095688919 /nfs/dbraw/zinc/68/89/19/1095688919.db2.gz WFYKZEZMAYNILE-UHFFFAOYSA-N 1 0 313.397 3.258 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001144500314 1095689027 /nfs/dbraw/zinc/68/90/27/1095689027.db2.gz RWMKRMJRXSRGAS-OAHLLOKOSA-N 1 0 303.333 3.280 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C(N)=O)c1ccccc1 ZINC001339657800 1095690027 /nfs/dbraw/zinc/69/00/27/1095690027.db2.gz HLZQEYUJCOBHES-DFHBCGBQSA-N 1 0 310.397 3.065 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(C)cc1O ZINC001116889982 1095692650 /nfs/dbraw/zinc/69/26/50/1095692650.db2.gz LUYGCSIBOAHMDP-NVXWUHKLSA-N 1 0 318.461 3.390 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c(O)c1 ZINC001144520622 1095696977 /nfs/dbraw/zinc/69/69/77/1095696977.db2.gz WRDBJAYAPXGLGQ-OAHLLOKOSA-N 1 0 321.323 3.419 20 10 DGCDRO C[N@H+](Cc1c(O)cc(O)cc1O)C12CC3CC(CC(C3)C1)C2 ZINC001144509072 1095698440 /nfs/dbraw/zinc/69/84/40/1095698440.db2.gz KCBKOVMCQURMDC-UHFFFAOYSA-N 1 0 303.402 3.204 20 10 DGCDRO COc1ccccc1[C@@H](C)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514554 1095701138 /nfs/dbraw/zinc/70/11/38/1095701138.db2.gz KJZCHNLOSPOSED-LLVKDONJSA-N 1 0 303.358 3.005 20 10 DGCDRO Cc1cc(CN2CC[C@@](C)(O)[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC001137854347 1095768109 /nfs/dbraw/zinc/76/81/09/1095768109.db2.gz SBHBNVQUENCWSB-RBUKOAKNSA-N 1 0 316.420 3.389 20 10 DGCDRO CCOC(=O)CC[N@H+](C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137857872 1095769594 /nfs/dbraw/zinc/76/95/94/1095769594.db2.gz MYNLEWRVDGRHEI-UHFFFAOYSA-N 1 0 314.429 3.479 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c(O)c1 ZINC001117749719 1095833525 /nfs/dbraw/zinc/83/35/25/1095833525.db2.gz AEIGXYVSJGKAAH-DOTOQJQBSA-N 1 0 321.461 3.085 20 10 DGCDRO C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(F)c1[O-] ZINC001138128358 1095898754 /nfs/dbraw/zinc/89/87/54/1095898754.db2.gz FLIANHQVQQHFHI-JKSUJKDBSA-N 1 0 306.425 3.370 20 10 DGCDRO CCCc1noc(C2CC[NH+](Cc3cccc(F)c3[O-])CC2)n1 ZINC001138128415 1095900073 /nfs/dbraw/zinc/90/00/73/1095900073.db2.gz ILWPCIKKBMJTSY-UHFFFAOYSA-N 1 0 319.380 3.246 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3cccc(F)c3[O-])CC2)c(C)c1 ZINC001138128318 1095900702 /nfs/dbraw/zinc/90/07/02/1095900702.db2.gz CMBVMHYVWNVCMA-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO C/C(=C/c1cccnc1)C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001341253816 1096141923 /nfs/dbraw/zinc/14/19/23/1096141923.db2.gz ALTNLRPSYGHNGB-JBXOJTMHSA-N 1 0 321.424 3.039 20 10 DGCDRO CC[C@@H](CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001148353718 1096354010 /nfs/dbraw/zinc/35/40/10/1096354010.db2.gz XDKRGJQLXDXCMC-KRWDZBQOSA-N 1 0 320.477 3.282 20 10 DGCDRO Cc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(O)c2)cc1 ZINC001171656158 1096941347 /nfs/dbraw/zinc/94/13/47/1096941347.db2.gz VKHWAVDWZHYPNU-KUHUBIRLSA-N 1 0 315.413 3.051 20 10 DGCDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227939379 1097017093 /nfs/dbraw/zinc/01/70/93/1097017093.db2.gz UXCUTQUIIQHCLC-MAUKXSAKSA-N 1 0 311.429 3.362 20 10 DGCDRO CCOCC[C@@H](C)[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172428527 1097137771 /nfs/dbraw/zinc/13/77/71/1097137771.db2.gz ITZIGNQDGINFAJ-CQSZACIVSA-N 1 0 316.445 3.360 20 10 DGCDRO CC(C)OCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001172451318 1097157612 /nfs/dbraw/zinc/15/76/12/1097157612.db2.gz PLJNFDFFSMJSSR-QGZVFWFLSA-N 1 0 320.477 3.159 20 10 DGCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1O ZINC001172547001 1097188621 /nfs/dbraw/zinc/18/86/21/1097188621.db2.gz RHLRGUWAHOTJJR-OGWOLHLISA-N 1 0 313.397 3.057 20 10 DGCDRO Oc1ccc(CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1O ZINC001172709591 1097227804 /nfs/dbraw/zinc/22/78/04/1097227804.db2.gz JRLCKRVDYUOYEX-HNNXBMFYSA-N 1 0 303.789 3.051 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC001172954160 1097301865 /nfs/dbraw/zinc/30/18/65/1097301865.db2.gz SJHQFBKXOHJFFM-HKUYNNGSSA-N 1 0 318.461 3.165 20 10 DGCDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001173218083 1097369325 /nfs/dbraw/zinc/36/93/25/1097369325.db2.gz OEXDXTFQZSBGJD-CYBMUJFWSA-N 1 0 312.369 3.251 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H](C)CSCC)CC2)cc1 ZINC001173315635 1097427724 /nfs/dbraw/zinc/42/77/24/1097427724.db2.gz RLGGZMYKRDPAMX-OAHLLOKOSA-N 1 0 308.491 3.349 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001173647833 1097490900 /nfs/dbraw/zinc/49/09/00/1097490900.db2.gz CCTDMENUCJMIAF-HUUCEWRRSA-N 1 0 305.418 3.221 20 10 DGCDRO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1(C)COC1 ZINC001231469399 1097754838 /nfs/dbraw/zinc/75/48/38/1097754838.db2.gz CBZMSUMPHMYSSP-UHFFFAOYSA-N 1 0 313.397 3.192 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(Cc2ccco2)CC1 ZINC001231587913 1097785809 /nfs/dbraw/zinc/78/58/09/1097785809.db2.gz GIGCVLMVKQUUNU-UHFFFAOYSA-N 1 0 322.408 3.456 20 10 DGCDRO O=C1NCCCC12CC[NH+](Cc1c(O)ccc3ccccc31)CC2 ZINC001231589366 1097786084 /nfs/dbraw/zinc/78/60/84/1097786084.db2.gz DAOGATBGMUUGOT-UHFFFAOYSA-N 1 0 324.424 3.038 20 10 DGCDRO Cc1cccc(C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)c1O ZINC001231594065 1097787083 /nfs/dbraw/zinc/78/70/83/1097787083.db2.gz SHOXDLRAEYDIJU-UHFFFAOYSA-N 1 0 308.425 3.018 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c1O ZINC001231593631 1097787377 /nfs/dbraw/zinc/78/73/77/1097787377.db2.gz SSXWSZDSEGGAEV-UHFFFAOYSA-N 1 0 315.388 3.323 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c1O ZINC001231594815 1097787951 /nfs/dbraw/zinc/78/79/51/1097787951.db2.gz PMPSEVSSQKZWKF-HNNXBMFYSA-N 1 0 305.418 3.397 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1O ZINC001231594658 1097788215 /nfs/dbraw/zinc/78/82/15/1097788215.db2.gz MPGZPYJLLLQJGP-UYAOXDASSA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1cccc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c1O ZINC001231595453 1097788339 /nfs/dbraw/zinc/78/83/39/1097788339.db2.gz VJMOLBMHTQCRQV-DLBZAZTESA-N 1 0 306.425 3.099 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(O)cc1O ZINC001231637083 1097796949 /nfs/dbraw/zinc/79/69/49/1097796949.db2.gz ZXDUGQIPEPQNNE-HNNXBMFYSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1cc(Br)c(O)c(Nc2cc[nH+]c(C)c2)c1 ZINC001174657346 1097805784 /nfs/dbraw/zinc/80/57/84/1097805784.db2.gz ROYRWFTWWSBEHV-UHFFFAOYSA-N 1 0 309.163 3.032 20 10 DGCDRO Cc1cc(C)c(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001231847615 1097861754 /nfs/dbraw/zinc/86/17/54/1097861754.db2.gz BSJGTZQEGKZWTM-ZWKOTPCHSA-N 1 0 320.452 3.407 20 10 DGCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231847804 1097861782 /nfs/dbraw/zinc/86/17/82/1097861782.db2.gz DYEQBXVHLXKQFZ-OAHLLOKOSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)nc1 ZINC001231845554 1097861993 /nfs/dbraw/zinc/86/19/93/1097861993.db2.gz AFIOQKNGNKNVRV-UHFFFAOYSA-N 1 0 311.429 3.035 20 10 DGCDRO CCOCc1noc2c1C[N@H+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231846002 1097862592 /nfs/dbraw/zinc/86/25/92/1097862592.db2.gz XHFHWNHGSOBMCA-UHFFFAOYSA-N 1 0 316.401 3.092 20 10 DGCDRO Cc1cc(C)c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)c(O)c1 ZINC001231848357 1097864119 /nfs/dbraw/zinc/86/41/19/1097864119.db2.gz GRRJFVYCCOJDTN-DLBZAZTESA-N 1 0 306.425 3.017 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c(O)c1 ZINC001231848068 1097864136 /nfs/dbraw/zinc/86/41/36/1097864136.db2.gz HFRRTFVCYCTJSE-UHFFFAOYSA-N 1 0 318.461 3.089 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1C(C)(C)OC ZINC001231853393 1097865773 /nfs/dbraw/zinc/86/57/73/1097865773.db2.gz JTEUESOVIJPXMG-QGZVFWFLSA-N 1 0 306.450 3.151 20 10 DGCDRO Cc1cc(O)c(C[N@H+](CCO)Cc2cccs2)cc1Cl ZINC001231868688 1097869667 /nfs/dbraw/zinc/86/96/67/1097869667.db2.gz FESRWECWDJLRAX-UHFFFAOYSA-N 1 0 311.834 3.410 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC3(CCC(=O)O3)CC2)cc1Cl ZINC001231870513 1097872065 /nfs/dbraw/zinc/87/20/65/1097872065.db2.gz HATLYXKTNYUTCB-UHFFFAOYSA-N 1 0 309.793 3.026 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1Cl ZINC001231870685 1097872290 /nfs/dbraw/zinc/87/22/90/1097872290.db2.gz OGUXDDGTFUWETO-HNNXBMFYSA-N 1 0 318.804 3.402 20 10 DGCDRO Oc1c(C[NH+]2CC(N3CCC(F)(F)C3)C2)ccc2ccccc21 ZINC001231880363 1097876936 /nfs/dbraw/zinc/87/69/36/1097876936.db2.gz CNTKOQPCLJJDIX-UHFFFAOYSA-N 1 0 318.367 3.071 20 10 DGCDRO Cc1noc([C@@H]2CC[N@H+](Cc3ccc4ccccc4c3O)C2)n1 ZINC001231880303 1097877419 /nfs/dbraw/zinc/87/74/19/1097877419.db2.gz BJJIHYVNSQJWBU-OAHLLOKOSA-N 1 0 309.369 3.226 20 10 DGCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc4ccccc4c3O)C2)O1 ZINC001231882036 1097878707 /nfs/dbraw/zinc/87/87/07/1097878707.db2.gz DYEVDCDMSOPAGK-LJQANCHMSA-N 1 0 311.381 3.217 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)cc1Cl ZINC001232266172 1097986962 /nfs/dbraw/zinc/98/69/62/1097986962.db2.gz JRYJNIADEXJHGE-BDJLRTHQSA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC3(CCOC3)CC2)cc1Cl ZINC001232266690 1097987126 /nfs/dbraw/zinc/98/71/26/1097987126.db2.gz RBAJXSBOXVBLTM-UHFFFAOYSA-N 1 0 311.809 3.057 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc1Cl ZINC001232264149 1097987176 /nfs/dbraw/zinc/98/71/76/1097987176.db2.gz FLQWXOBFCOTZAN-ZDUSSCGKSA-N 1 0 318.804 3.439 20 10 DGCDRO CC[N@H+](Cc1ccccn1)Cc1cc(Cl)c(OC)cc1O ZINC001232269566 1097987960 /nfs/dbraw/zinc/98/79/60/1097987960.db2.gz DYHILRXAWSKDCM-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO Cc1cc(Br)ncc1C[N@@H+](C)Cc1ccccc1O ZINC001232317348 1098002770 /nfs/dbraw/zinc/00/27/70/1098002770.db2.gz OPTIFYLVRHWTBG-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CC[C@@](C)(CF)C2)c2ccccc2n1C ZINC001232403149 1098030119 /nfs/dbraw/zinc/03/01/19/1098030119.db2.gz VHIFSPKXQGQXEG-SFHVURJKSA-N 1 0 318.392 3.146 20 10 DGCDRO Cc1nc(C[N@@H+](C)Cc2ccccc2O)ccc1Br ZINC001232668268 1098109326 /nfs/dbraw/zinc/10/93/26/1098109326.db2.gz GDSBEAUVCMSHCO-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(O)c1 ZINC001232833674 1098147937 /nfs/dbraw/zinc/14/79/37/1098147937.db2.gz CHOZGAZOILBCFJ-DGCLKSJQSA-N 1 0 320.330 3.038 20 10 DGCDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232833502 1098148245 /nfs/dbraw/zinc/14/82/45/1098148245.db2.gz AFGTWQZKXYDSPY-UHFFFAOYSA-N 1 0 312.413 3.025 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)c(O)c1 ZINC001232840094 1098150173 /nfs/dbraw/zinc/15/01/73/1098150173.db2.gz MQSYMVQUPLFDLX-UHFFFAOYSA-N 1 0 300.377 3.156 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CC/C=C/c2cccnc2)c(O)c1 ZINC001232840661 1098150880 /nfs/dbraw/zinc/15/08/80/1098150880.db2.gz FQTQPNFNFUTHHD-QPJJXVBHSA-N 1 0 311.429 3.389 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])c1OC ZINC001233078952 1098221552 /nfs/dbraw/zinc/22/15/52/1098221552.db2.gz PSUWIXCITGUAPO-UHFFFAOYSA-N 1 0 323.339 3.320 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(C)CC2)cc1Br ZINC001233135295 1098235556 /nfs/dbraw/zinc/23/55/56/1098235556.db2.gz PHCVWWKVHPAMKI-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO CCOc1ncc(Cl)cc1CN1CCc2cccc(O)c2C1 ZINC001233172973 1098245968 /nfs/dbraw/zinc/24/59/68/1098245968.db2.gz HRRVPKFLIUCIDV-UHFFFAOYSA-N 1 0 318.804 3.398 20 10 DGCDRO Cc1cc(Nc2cc(Br)cc(F)c2O)cc(C)[nH+]1 ZINC001176059431 1098252733 /nfs/dbraw/zinc/25/27/33/1098252733.db2.gz FIRFAAWPVHYITO-UHFFFAOYSA-N 1 0 311.154 3.471 20 10 DGCDRO CCOC(=O)c1c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c2ccccc2n1C ZINC001233273124 1098269688 /nfs/dbraw/zinc/26/96/88/1098269688.db2.gz OYGCGEMTIHOXNT-UONOGXRCSA-N 1 0 312.413 3.339 20 10 DGCDRO CCOC(=O)c1c(C[NH+]2C3CCC2CC3)c2ccccc2n1C ZINC001233272672 1098270086 /nfs/dbraw/zinc/27/00/86/1098270086.db2.gz VPOBBANYZIQMDU-UHFFFAOYSA-N 1 0 312.413 3.482 20 10 DGCDRO CCOC(=O)c1c(C[N@H+](C)CC2CC2)c2ccccc2n1C ZINC001233270371 1098270249 /nfs/dbraw/zinc/27/02/49/1098270249.db2.gz LBIOEOCAAQSDLU-UHFFFAOYSA-N 1 0 300.402 3.197 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CC[NH+](C3CCC3)CC2)c1 ZINC001233284031 1098274725 /nfs/dbraw/zinc/27/47/25/1098274725.db2.gz FFWRROAESWBQKA-UHFFFAOYSA-N 1 0 302.462 3.360 20 10 DGCDRO CC[N@H+](Cc1cccc(OCOC)c1)Cc1ccccc1O ZINC001233282447 1098274933 /nfs/dbraw/zinc/27/49/33/1098274933.db2.gz RCGOGPDGNFHJBZ-UHFFFAOYSA-N 1 0 301.386 3.397 20 10 DGCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286997 1098276351 /nfs/dbraw/zinc/27/63/51/1098276351.db2.gz RKGRSZFAVUMGSZ-VQIMIIECSA-N 1 0 302.462 3.073 20 10 DGCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286736 1098276536 /nfs/dbraw/zinc/27/65/36/1098276536.db2.gz HCSXXXNBKMYUTR-QGZVFWFLSA-N 1 0 318.461 3.132 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1O ZINC001233289762 1098277360 /nfs/dbraw/zinc/27/73/60/1098277360.db2.gz MXOXZQQDNYPZFU-ZDUSSCGKSA-N 1 0 318.804 3.439 20 10 DGCDRO COc1cc(Cl)cc(CN2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001233287787 1098277489 /nfs/dbraw/zinc/27/74/89/1098277489.db2.gz HLSZVBHVRYCVNM-OCCSQVGLSA-N 1 0 305.752 3.326 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c1O ZINC001233287830 1098278117 /nfs/dbraw/zinc/27/81/17/1098278117.db2.gz JCQDULHTRRYGST-MEDUHNTESA-N 1 0 313.825 3.037 20 10 DGCDRO CC(C)(C)[NH+]1CCN(Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233418719 1098325403 /nfs/dbraw/zinc/32/54/03/1098325403.db2.gz SFNXXUYQCLSEFZ-UHFFFAOYSA-N 1 0 316.367 3.327 20 10 DGCDRO Oc1c(CN2CC[C@H]([NH+]3CCCC3)C2)cccc1C(F)(F)F ZINC001233418614 1098325504 /nfs/dbraw/zinc/32/55/04/1098325504.db2.gz OLYJCTNPGLOKHK-ZDUSSCGKSA-N 1 0 314.351 3.081 20 10 DGCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452220 1098337200 /nfs/dbraw/zinc/33/72/00/1098337200.db2.gz OFYGDPFSIREBLL-CQSZACIVSA-N 1 0 303.324 3.148 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)[C@@H]1CO ZINC001233452011 1098338181 /nfs/dbraw/zinc/33/81/81/1098338181.db2.gz HPDFHNMIOPWVJA-ZWNOBZJWSA-N 1 0 303.324 3.004 20 10 DGCDRO COC1(C)CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452330 1098338340 /nfs/dbraw/zinc/33/83/40/1098338340.db2.gz RTBGAALTPOINAK-UHFFFAOYSA-N 1 0 303.324 3.412 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@]1(C)O ZINC001233452292 1098338354 /nfs/dbraw/zinc/33/83/54/1098338354.db2.gz QRVFQJPIAWZJRK-YGRLFVJLSA-N 1 0 303.324 3.004 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCc2ncccc2C1 ZINC001233453984 1098340641 /nfs/dbraw/zinc/34/06/41/1098340641.db2.gz BLTRMPVMPUVSHU-UHFFFAOYSA-N 1 0 308.303 3.364 20 10 DGCDRO Oc1cc(O)c(C[NH+]2CCC(c3ccc(F)cc3)CC2)cc1O ZINC001233485229 1098346469 /nfs/dbraw/zinc/34/64/69/1098346469.db2.gz NOBCRQYNEWQGIN-UHFFFAOYSA-N 1 0 317.360 3.322 20 10 DGCDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)c1 ZINC001233486702 1098347448 /nfs/dbraw/zinc/34/74/48/1098347448.db2.gz YKTRDQRTRUNDBS-OAHLLOKOSA-N 1 0 315.369 3.149 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](C)[C@@H]3CO)c2c1 ZINC001234525475 1098581308 /nfs/dbraw/zinc/58/13/08/1098581308.db2.gz ICYFKIHJWDPPNS-UGSOOPFHSA-N 1 0 315.413 3.147 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCCC[C@@H]3OC)cc2)CC1 ZINC001234660097 1098636778 /nfs/dbraw/zinc/63/67/78/1098636778.db2.gz DGIKJGHOBYOTSM-OALUTQOASA-N 1 0 318.461 3.165 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235036793 1098767098 /nfs/dbraw/zinc/76/70/98/1098767098.db2.gz BQVGUBZVEXUJOU-INIZCTEOSA-N 1 0 312.816 3.293 20 10 DGCDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001206324335 1098783782 /nfs/dbraw/zinc/78/37/82/1098783782.db2.gz ABKKENQOOZZOQZ-OAHLLOKOSA-N 1 0 300.805 3.136 20 10 DGCDRO COc1cc(O)c(CN2CCCC[C@@]23CCC[NH2+]C3)cc1Cl ZINC001235177330 1098858639 /nfs/dbraw/zinc/85/86/39/1098858639.db2.gz IFQSVYFUQZBMFO-KRWDZBQOSA-N 1 0 324.852 3.162 20 10 DGCDRO CN(C)c1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)c2ccccc21 ZINC001235210301 1098881172 /nfs/dbraw/zinc/88/11/72/1098881172.db2.gz WUNZHLUZXVNFGJ-APWZRJJASA-N 1 0 309.457 3.090 20 10 DGCDRO [O-]c1c(F)ccc(F)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235229494 1098904646 /nfs/dbraw/zinc/90/46/46/1098904646.db2.gz PWLVDVUBTBGWKI-INIZCTEOSA-N 1 0 310.388 3.025 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c(O)c1 ZINC001235676761 1099119511 /nfs/dbraw/zinc/11/95/11/1099119511.db2.gz UBAHIIJMZPVMAQ-SFHVURJKSA-N 1 0 309.425 3.376 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235678451 1099121796 /nfs/dbraw/zinc/12/17/96/1099121796.db2.gz BPXSAVZGAYYJMZ-AWEZNQCLSA-N 1 0 319.445 3.465 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccc(C(C)(C)C)cc1O)C1CC1 ZINC001235681851 1099123595 /nfs/dbraw/zinc/12/35/95/1099123595.db2.gz RGWSAMFUJPDTBD-UHFFFAOYSA-N 1 0 305.418 3.217 20 10 DGCDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235681643 1099124580 /nfs/dbraw/zinc/12/45/80/1099124580.db2.gz OWYJKJTXWDBQFO-PVUWLOKVSA-N 1 0 317.429 3.216 20 10 DGCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235685628 1099126844 /nfs/dbraw/zinc/12/68/44/1099126844.db2.gz UAIQITYJVJISRL-CQSZACIVSA-N 1 0 305.418 3.075 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC001235734089 1099153862 /nfs/dbraw/zinc/15/38/62/1099153862.db2.gz AZNXWLHLIGGXHY-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO Cc1cc(CN2CC[NH2+]C[C@H]2Cc2ccccc2)ccc1N(C)C ZINC001235853163 1099213257 /nfs/dbraw/zinc/21/32/57/1099213257.db2.gz GLNRIWPGFCIFSM-HXUWFJFHSA-N 1 0 323.484 3.078 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC2(C1)CCCC[NH2+]2 ZINC001235921595 1099258516 /nfs/dbraw/zinc/25/85/16/1099258516.db2.gz GPPMTNGWZJTJQP-UHFFFAOYSA-N 1 0 301.217 3.027 20 10 DGCDRO CCN(CC)c1ccc(CN(CC)[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC001236006261 1099327752 /nfs/dbraw/zinc/32/77/52/1099327752.db2.gz QBSFTYSEPBXEFH-SFHVURJKSA-N 1 0 319.493 3.115 20 10 DGCDRO COc1cc(C)c(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c(O)c1 ZINC001180249067 1099357293 /nfs/dbraw/zinc/35/72/93/1099357293.db2.gz BRJDZPCWGTYLNK-HNNXBMFYSA-N 1 0 315.413 3.092 20 10 DGCDRO CCCC[C@H]1CN(Cc2cc(Cl)c(OC)cc2O)CC[NH2+]1 ZINC001236135754 1099423823 /nfs/dbraw/zinc/42/38/23/1099423823.db2.gz BFODUQHCORIWCF-ZDUSSCGKSA-N 1 0 312.841 3.018 20 10 DGCDRO CCCN(Cc1ccc(N(C)C)cc1Cl)C1CC[NH2+]CC1 ZINC001236182304 1099452658 /nfs/dbraw/zinc/45/26/58/1099452658.db2.gz JSBHJQZUBPIARX-UHFFFAOYSA-N 1 0 309.885 3.370 20 10 DGCDRO C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@H]1CCCC[C@H]1[NH3+] ZINC001236214081 1099470161 /nfs/dbraw/zinc/47/01/61/1099470161.db2.gz DXIFZAYVWGMKOW-OLZOCXBDSA-N 1 0 302.340 3.113 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236242335 1099497494 /nfs/dbraw/zinc/49/74/94/1099497494.db2.gz WCYUQIXVKGTSRG-LLVKDONJSA-N 1 0 315.244 3.415 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC001180741325 1099497875 /nfs/dbraw/zinc/49/78/75/1099497875.db2.gz RPKHGACUKAIEHP-UHFFFAOYSA-N 1 0 317.351 3.405 20 10 DGCDRO [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320516 1099534540 /nfs/dbraw/zinc/53/45/40/1099534540.db2.gz IBTJDCXXAZJYIO-PHIMTYICSA-N 1 0 315.244 3.130 20 10 DGCDRO Oc1ccccc1CN(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236389055 1099570249 /nfs/dbraw/zinc/57/02/49/1099570249.db2.gz RVFFXZPJMWKDDE-SFHVURJKSA-N 1 0 314.404 3.286 20 10 DGCDRO Nc1ccc(CN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236393156 1099571666 /nfs/dbraw/zinc/57/16/66/1099571666.db2.gz VRJNSDVKKHEWPO-IBGZPJMESA-N 1 0 313.420 3.162 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236467793 1099628629 /nfs/dbraw/zinc/62/86/29/1099628629.db2.gz JLEWDJZNMLRVQZ-MRXNPFEDSA-N 1 0 309.885 3.368 20 10 DGCDRO Cc1cc(F)cc(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236664371 1099732182 /nfs/dbraw/zinc/73/21/82/1099732182.db2.gz SDVQKDZATGMCFL-QGZVFWFLSA-N 1 0 306.425 3.336 20 10 DGCDRO CCOc1ccc(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236665376 1099732281 /nfs/dbraw/zinc/73/22/81/1099732281.db2.gz VNSCHUOCACPLDP-QGZVFWFLSA-N 1 0 318.461 3.288 20 10 DGCDRO COc1cc(C[N@@H+]2CCC3(CC3)C2)c(O)cc1Br ZINC001236748653 1099769735 /nfs/dbraw/zinc/76/97/35/1099769735.db2.gz UATCQLYTDUDEKX-UHFFFAOYSA-N 1 0 312.207 3.149 20 10 DGCDRO [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001236794087 1099788778 /nfs/dbraw/zinc/78/87/78/1099788778.db2.gz PFVFQBBNGRTWFK-AWEZNQCLSA-N 1 0 302.201 3.311 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(O)cc1Br ZINC001236756071 1099772012 /nfs/dbraw/zinc/77/20/12/1099772012.db2.gz IFUQKDPEFBSLAF-GXSJLCMTSA-N 1 0 312.207 3.148 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2cccc(C)c2)cc1OC ZINC001236751732 1099772297 /nfs/dbraw/zinc/77/22/97/1099772297.db2.gz IEQVZPKKUBJRFY-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO C[C@H]1C[C@H](C)C[NH+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236763481 1099774009 /nfs/dbraw/zinc/77/40/09/1099774009.db2.gz ACMGXISXIIUZES-UWVGGRQHSA-N 1 0 314.223 3.338 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236773665 1099779300 /nfs/dbraw/zinc/77/93/00/1099779300.db2.gz RYOIDEHYZQLVPI-VIFPVBQESA-N 1 0 300.196 3.092 20 10 DGCDRO Oc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c(O)cc1Br ZINC001236772757 1099779393 /nfs/dbraw/zinc/77/93/93/1099779393.db2.gz JUIAJWBRGCXWJT-NXEZZACHSA-N 1 0 312.207 3.092 20 10 DGCDRO CCc1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c(O)c1 ZINC001236789653 1099785175 /nfs/dbraw/zinc/78/51/75/1099785175.db2.gz CBXHOXAZMGJXOP-UHFFFAOYSA-N 1 0 315.335 3.298 20 10 DGCDRO [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001236794089 1099787360 /nfs/dbraw/zinc/78/73/60/1099787360.db2.gz PFVFQBBNGRTWFK-CQSZACIVSA-N 1 0 302.201 3.311 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c(O)c1 ZINC001236793527 1099788365 /nfs/dbraw/zinc/78/83/65/1099788365.db2.gz XWIOEMDGUPHQAG-HXUWFJFHSA-N 1 0 322.452 3.370 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[NH+](CC2CC2)CC1 ZINC001236795241 1099791110 /nfs/dbraw/zinc/79/11/10/1099791110.db2.gz CGUQGWDEMNGSHV-UHFFFAOYSA-N 1 0 315.244 3.227 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001236795558 1099791204 /nfs/dbraw/zinc/79/12/04/1099791204.db2.gz GPOHYPPRNRYZBC-LBPRGKRZSA-N 1 0 315.244 3.369 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC001236800855 1099793634 /nfs/dbraw/zinc/79/36/34/1099793634.db2.gz BWDZZNKYGGYLHF-MRVPVSSYSA-N 1 0 309.715 3.438 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(Cl)c1 ZINC001236802026 1099796597 /nfs/dbraw/zinc/79/65/97/1099796597.db2.gz GKPWDCIHGUKQSM-CYBMUJFWSA-N 1 0 303.736 3.285 20 10 DGCDRO CC[N@@H+]1CCN(Cc2cc(Cl)c(Cl)cc2O)C[C@H]1C ZINC001236801151 1099797389 /nfs/dbraw/zinc/79/73/89/1099797389.db2.gz AXOXQAVBZHPMOF-SNVBAGLBSA-N 1 0 303.233 3.225 20 10 DGCDRO COc1cc(O)c(C[NH+]2CC(c3cccnc3)C2)c(Cl)c1 ZINC001236804773 1099797030 /nfs/dbraw/zinc/79/70/30/1099797030.db2.gz YWSARWRZBITITP-UHFFFAOYSA-N 1 0 304.777 3.049 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001236809645 1099801027 /nfs/dbraw/zinc/80/10/27/1099801027.db2.gz ZHQFTQZXVAMZGO-CQSZACIVSA-N 1 0 303.324 3.278 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001236818558 1099806102 /nfs/dbraw/zinc/80/61/02/1099806102.db2.gz NXXNJHZWTQBBPU-ZBFHGGJFSA-N 1 0 303.402 3.043 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCN(c3ccccc3)CC2)c(O)c1 ZINC001236818173 1099807337 /nfs/dbraw/zinc/80/73/37/1099807337.db2.gz JGZFPOFQAAEVDY-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236835951 1099823489 /nfs/dbraw/zinc/82/34/89/1099823489.db2.gz VSCQWOOKIVLPFD-UWWQBHOKSA-N 1 0 311.381 3.071 20 10 DGCDRO CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236842615 1099826608 /nfs/dbraw/zinc/82/66/08/1099826608.db2.gz GKUJSPZBPYKWHB-GFCCVEGCSA-N 1 0 316.367 3.233 20 10 DGCDRO CCC[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236843273 1099828369 /nfs/dbraw/zinc/82/83/69/1099828369.db2.gz MPWHWPYYUQBRDD-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO CCCN(Cc1c(O)ccc(F)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236843844 1099828895 /nfs/dbraw/zinc/82/88/95/1099828895.db2.gz RNOMBZBXLQAQIS-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO CCCN(Cc1c(O)ccc(F)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236843845 1099830076 /nfs/dbraw/zinc/83/00/76/1099830076.db2.gz RNOMBZBXLQAQIS-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO [O-]c1cccc(F)c1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236947336 1099885996 /nfs/dbraw/zinc/88/59/96/1099885996.db2.gz JYUOZPXLMCVJSI-UHFFFAOYSA-N 1 0 306.425 3.133 20 10 DGCDRO [NH3+]C[C@@H]1Cc2ccccc2CN1Cc1cc(F)c(Cl)cc1O ZINC001237026976 1099932120 /nfs/dbraw/zinc/93/21/20/1099932120.db2.gz AQPJSYZJLKYZIT-AWEZNQCLSA-N 1 0 320.795 3.070 20 10 DGCDRO [NH3+]C[C@@H]1Cc2ccccc2CN1Cc1ccc2ccccc2c1O ZINC001237026861 1099932981 /nfs/dbraw/zinc/93/29/81/1099932981.db2.gz ALRDBBVUEPQJDO-IBGZPJMESA-N 1 0 318.420 3.431 20 10 DGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(OCC)cc1O)C2 ZINC001237040134 1099938782 /nfs/dbraw/zinc/93/87/82/1099938782.db2.gz FIZMPBKKHHULKG-APWZRJJASA-N 1 0 319.445 3.430 20 10 DGCDRO CCOc1ccc(C[N@H+](CCC(=O)OC)C2CCCC2)c(O)c1 ZINC001237041089 1099938886 /nfs/dbraw/zinc/93/88/86/1099938886.db2.gz DBNULJLTVPETOK-UHFFFAOYSA-N 1 0 321.417 3.099 20 10 DGCDRO CCOc1ccc(C[NH+]2CC3(C2)CC(F)(F)CS3)c(O)c1 ZINC001237044718 1099941176 /nfs/dbraw/zinc/94/11/76/1099941176.db2.gz STPZIGYXINZDTP-UHFFFAOYSA-N 1 0 315.385 3.118 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237055895 1099947652 /nfs/dbraw/zinc/94/76/52/1099947652.db2.gz RZFDDCCNCPAEHW-AWEZNQCLSA-N 1 0 305.418 3.291 20 10 DGCDRO CC[N@H+](Cc1c(O)cc(OC)cc1Br)C1CC1 ZINC001237064287 1099953486 /nfs/dbraw/zinc/95/34/86/1099953486.db2.gz ZQECYPTWGQFJDN-UHFFFAOYSA-N 1 0 300.196 3.148 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001237081472 1099961589 /nfs/dbraw/zinc/96/15/89/1099961589.db2.gz LGAGHHPVWOFQSO-LLVKDONJSA-N 1 0 315.244 3.369 20 10 DGCDRO [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@]12CCOC2 ZINC001237085269 1099963956 /nfs/dbraw/zinc/96/39/56/1099963956.db2.gz WZCGOWYURFZBLB-CQSZACIVSA-N 1 0 302.201 3.454 20 10 DGCDRO CC[C@@]12C[C@@H](CO1)N(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237114933 1099976775 /nfs/dbraw/zinc/97/67/75/1099976775.db2.gz PNJWJQMMFWJYID-HZMBPMFUSA-N 1 0 317.307 3.044 20 10 DGCDRO CN(Cc1cncs1)Cc1c(O)cccc1OC(F)(F)F ZINC001237114944 1099977468 /nfs/dbraw/zinc/97/74/68/1099977468.db2.gz PQSFZNRKUVYTEI-UHFFFAOYSA-N 1 0 318.320 3.379 20 10 DGCDRO CC(C)[C@@H]1CN(Cc2c(O)cccc2OC(F)(F)F)CCO1 ZINC001237114862 1099978279 /nfs/dbraw/zinc/97/82/79/1099978279.db2.gz NOYURSVNSUEVEF-AWEZNQCLSA-N 1 0 319.323 3.148 20 10 DGCDRO COCC1CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237119360 1099979446 /nfs/dbraw/zinc/97/94/46/1099979446.db2.gz FXPHYSLMOWMVKA-UHFFFAOYSA-N 1 0 319.323 3.149 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001237118564 1099979674 /nfs/dbraw/zinc/97/96/74/1099979674.db2.gz YLBZRAZJELDCLO-CQSZACIVSA-N 1 0 317.307 3.046 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001237122682 1099981909 /nfs/dbraw/zinc/98/19/09/1099981909.db2.gz KMUCQZDEPLBNDC-CQSZACIVSA-N 1 0 317.307 3.046 20 10 DGCDRO OCc1ccc2c(c1)CCN(Cc1c(O)ccc(F)c1Cl)C2 ZINC001237122489 1099982900 /nfs/dbraw/zinc/98/29/00/1099982900.db2.gz VBNHMHOBVBXXEW-UHFFFAOYSA-N 1 0 321.779 3.235 20 10 DGCDRO Oc1ccc(F)c(Cl)c1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001237130382 1099986361 /nfs/dbraw/zinc/98/63/61/1099986361.db2.gz MZMRSVNVVCHFAZ-JTQLQIEISA-N 1 0 317.763 3.278 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1C[NH+]1CC(c2cccnc2)C1 ZINC001237140480 1099990271 /nfs/dbraw/zinc/99/02/71/1099990271.db2.gz MQAMJMXAABEKOZ-UHFFFAOYSA-N 1 0 308.303 3.405 20 10 DGCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141077 1099991980 /nfs/dbraw/zinc/99/19/80/1099991980.db2.gz UVJOOOCNIHGMSW-LLVKDONJSA-N 1 0 301.308 3.212 20 10 DGCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237484302 1100138847 /nfs/dbraw/zinc/13/88/47/1100138847.db2.gz BCDIVEORNYEBTQ-GOSISDBHSA-N 1 0 305.418 3.256 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237487314 1100139502 /nfs/dbraw/zinc/13/95/02/1100139502.db2.gz HVFUCTDZZBUKQC-CQSZACIVSA-N 1 0 320.433 3.142 20 10 DGCDRO CCOC(=O)Cc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC001237486403 1100139835 /nfs/dbraw/zinc/13/98/35/1100139835.db2.gz VINZLSIGZYXMNN-UHFFFAOYSA-N 1 0 313.397 3.130 20 10 DGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1cncc(Br)c1 ZINC001237486545 1100139858 /nfs/dbraw/zinc/13/98/58/1100139858.db2.gz SJDJOWKKOFOBIS-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC001237490436 1100141664 /nfs/dbraw/zinc/14/16/64/1100141664.db2.gz UVJQVBWFAWFUPP-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001237494733 1100145613 /nfs/dbraw/zinc/14/56/13/1100145613.db2.gz LDEDJFUIQYIQMX-INIZCTEOSA-N 1 0 301.361 3.493 20 10 DGCDRO CC(C)[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCN(C)CC1 ZINC001237623464 1100192478 /nfs/dbraw/zinc/19/24/78/1100192478.db2.gz GPUXNVGVIZQDHK-UHFFFAOYSA-N 1 0 314.832 3.489 20 10 DGCDRO OC[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237641739 1100199924 /nfs/dbraw/zinc/19/99/24/1100199924.db2.gz WPXSMINFZGXKIR-CQSZACIVSA-N 1 0 315.388 3.403 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2ccccc2)c(O)c(OC)c1 ZINC001237674401 1100210499 /nfs/dbraw/zinc/21/04/99/1100210499.db2.gz GCZBCWLWHAWNDP-UHFFFAOYSA-N 1 0 301.386 3.084 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)Cc2cccnc2)cc1Br ZINC001237676529 1100211672 /nfs/dbraw/zinc/21/16/72/1100211672.db2.gz KITMUBQDCGMNTA-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2cccc(F)c2)c(O)c(OC)c1 ZINC001237677469 1100211983 /nfs/dbraw/zinc/21/19/83/1100211983.db2.gz CEUYARDMTDRSQJ-UHFFFAOYSA-N 1 0 319.376 3.223 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@H](F)C2)cc1Br ZINC001237679260 1100213037 /nfs/dbraw/zinc/21/30/37/1100213037.db2.gz ONJVFRVYWXCZCJ-NSHDSACASA-N 1 0 302.187 3.397 20 10 DGCDRO CCC[NH+]1C[C@H]2CN(Cc3cc(Cl)cc(C)c3O)C[C@@H]2C1 ZINC001237690354 1100214033 /nfs/dbraw/zinc/21/40/33/1100214033.db2.gz WIMQTPBLQNMTBX-GJZGRUSLSA-N 1 0 308.853 3.128 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCC([N@H+](C)C3CC3)CC2)c1O ZINC001237689963 1100214129 /nfs/dbraw/zinc/21/41/29/1100214129.db2.gz SQUNVSXEHKFSBE-UHFFFAOYSA-N 1 0 308.853 3.413 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237688083 1100215310 /nfs/dbraw/zinc/21/53/10/1100215310.db2.gz DVBAQWAGJSCWPQ-GFCCVEGCSA-N 1 0 311.809 3.129 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001237938215 1100296621 /nfs/dbraw/zinc/29/66/21/1100296621.db2.gz ZAPITDJOXGYMRU-CYBMUJFWSA-N 1 0 312.816 3.245 20 10 DGCDRO Cc1cc(F)cc(CN2CCC([NH+]3CCCCC3)CC2)c1O ZINC001238058333 1100345740 /nfs/dbraw/zinc/34/57/40/1100345740.db2.gz QNYMJNOQBYWXNQ-UHFFFAOYSA-N 1 0 306.425 3.290 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(F)cc(C)c2O)cc1OC ZINC001238061823 1100345834 /nfs/dbraw/zinc/34/58/34/1100345834.db2.gz JCDVRBDHZRUYOE-UHFFFAOYSA-N 1 0 319.376 3.489 20 10 DGCDRO Cc1cc(F)cc(CN2CCCC[C@H]2C[NH+]2CCCC2)c1O ZINC001238061812 1100346070 /nfs/dbraw/zinc/34/60/70/1100346070.db2.gz IWVGJNHNBPIANT-KRWDZBQOSA-N 1 0 306.425 3.290 20 10 DGCDRO Cc1cc(F)cc(CN2CCCC[C@@H]2C[NH+]2CCCC2)c1O ZINC001238061813 1100346968 /nfs/dbraw/zinc/34/69/68/1100346968.db2.gz IWVGJNHNBPIANT-QGZVFWFLSA-N 1 0 306.425 3.290 20 10 DGCDRO Cc1cc(F)cc(C[N@H+](C)Cc2cccc3c2OCO3)c1O ZINC001238067929 1100347813 /nfs/dbraw/zinc/34/78/13/1100347813.db2.gz VZVHWBAYCHRBAK-UHFFFAOYSA-N 1 0 303.333 3.200 20 10 DGCDRO Cc1cc(F)cc(CN2CCC(C)([NH+]3CCCC3)CC2)c1O ZINC001238068984 1100347890 /nfs/dbraw/zinc/34/78/90/1100347890.db2.gz XCRHVRWZUNNYIA-UHFFFAOYSA-N 1 0 306.425 3.290 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)Cc1cc(OC)cnc1F ZINC001238125999 1100368496 /nfs/dbraw/zinc/36/84/96/1100368496.db2.gz KRXVTOSWLZUWCQ-UHFFFAOYSA-N 1 0 317.408 3.317 20 10 DGCDRO Cn1ccc2c1ncnc2C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240385074 1100968018 /nfs/dbraw/zinc/96/80/18/1100968018.db2.gz UWFSKSQXXMLJFR-UHFFFAOYSA-N 1 0 304.397 3.258 20 10 DGCDRO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](CC(C)C)OC)cc1 ZINC001195789298 1101202744 /nfs/dbraw/zinc/20/27/44/1101202744.db2.gz LJCNLPKCBVTNMC-GOSISDBHSA-N 1 0 308.466 3.124 20 10 DGCDRO Cc1cc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)ccc1N(C)C ZINC001196218303 1101268768 /nfs/dbraw/zinc/26/87/68/1101268768.db2.gz ORMPCCLMDKZYJW-IBGZPJMESA-N 1 0 304.478 3.482 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H](C)CC(C)C)CC2)c(OC)c1 ZINC001197104624 1101479712 /nfs/dbraw/zinc/47/97/12/1101479712.db2.gz IXFPVARJWYROBT-HNNXBMFYSA-N 1 0 306.450 3.260 20 10 DGCDRO COc1ccc(C2CC[NH+](Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001203879698 1101580753 /nfs/dbraw/zinc/58/07/53/1101580753.db2.gz YITGECCREYHWNC-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCOc2ccc(F)cc2F)cc1F ZINC001200941746 1102453011 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CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2c(C)cccc2O)C1=O ZINC001274299965 1104347065 /nfs/dbraw/zinc/34/70/65/1104347065.db2.gz FVYUWAMULGGRBO-HNAYVOBHSA-N 1 0 316.445 3.066 20 10 DGCDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001330303214 1104535205 /nfs/dbraw/zinc/53/52/05/1104535205.db2.gz XCAPSNSLBAYWOX-KRWDZBQOSA-N 1 0 301.478 3.249 20 10 DGCDRO Clc1ccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)nc2c1 ZINC001247006805 1104774405 /nfs/dbraw/zinc/77/44/05/1104774405.db2.gz APRQHTWZLJCQJD-UHFFFAOYSA-N 1 0 312.804 3.293 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CC34C[NH2+]C4)n2)cc1 ZINC001247870458 1105003998 /nfs/dbraw/zinc/00/39/98/1105003998.db2.gz GVDXFHRVMMGFIQ-INIZCTEOSA-N 1 0 320.396 3.221 20 10 DGCDRO Cc1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c1O ZINC001276080728 1105010225 /nfs/dbraw/zinc/01/02/25/1105010225.db2.gz SWPZMGHCUZIJTH-ROUUACIJSA-N 1 0 300.446 3.292 20 10 DGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1Cl ZINC001248879724 1105184754 /nfs/dbraw/zinc/18/47/54/1105184754.db2.gz CTSJDBVZLHXSHW-BETUJISGSA-N 1 0 309.837 3.421 20 10 DGCDRO COC(=O)[C@@H](C)N(C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883970 1105186721 /nfs/dbraw/zinc/18/67/21/1105186721.db2.gz UVPUTRXTERXXDM-SNVBAGLBSA-N 1 0 313.825 3.336 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCCC[C@](C)(O)C3)ccc2O1 ZINC001249224213 1105249572 /nfs/dbraw/zinc/24/95/72/1105249572.db2.gz VCYNTVBTARTJCP-IBGZPJMESA-N 1 0 317.429 3.313 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CC[C@H](O)CC1 ZINC001249224182 1105249730 /nfs/dbraw/zinc/24/97/30/1105249730.db2.gz TZNZIKMIQGXZIM-SHTZXODSSA-N 1 0 317.429 3.312 20 10 DGCDRO CCC1(O)CC[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249252111 1105256884 /nfs/dbraw/zinc/25/68/84/1105256884.db2.gz GKSIZPBQHDHVGS-UHFFFAOYSA-N 1 0 317.429 3.313 20 10 DGCDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc4c(c3O)C=CC(C)(C)O4)C[C@H]12 ZINC001249252790 1105257598 /nfs/dbraw/zinc/25/75/98/1105257598.db2.gz VALCWGLNEHFFJW-SRCQZFHVSA-N 1 0 315.413 3.043 20 10 DGCDRO Cc1cc(F)cc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)c1 ZINC001249339993 1105271226 /nfs/dbraw/zinc/27/12/26/1105271226.db2.gz QPXUOQDPYIZSBD-CQSZACIVSA-N 1 0 313.332 3.132 20 10 DGCDRO Cc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)cc1F ZINC001249340314 1105271728 /nfs/dbraw/zinc/27/17/28/1105271728.db2.gz YSDMKTDLTZUHFR-CQSZACIVSA-N 1 0 313.332 3.132 20 10 DGCDRO CCOC(=O)CCCOc1ccc(C[N@H+](C)CC(C)C)c(O)c1 ZINC001249723523 1105365605 /nfs/dbraw/zinc/36/56/05/1105365605.db2.gz BESOOJZNGFNQJT-UHFFFAOYSA-N 1 0 323.433 3.202 20 10 DGCDRO COC[C@H]1CCC[N@@H+]1Cc1cc(C)c(Br)cc1O ZINC001250120974 1105446285 /nfs/dbraw/zinc/44/62/85/1105446285.db2.gz WYOXNCRRCFAVFU-GFCCVEGCSA-N 1 0 314.223 3.074 20 10 DGCDRO O=C1C[C@@H]2CC([NH2+]Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC001254929755 1105478638 /nfs/dbraw/zinc/47/86/38/1105478638.db2.gz XQBZBWZMVJRPAC-UWVGGRQHSA-N 1 0 324.218 3.002 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001137346666 1105493432 /nfs/dbraw/zinc/49/34/32/1105493432.db2.gz HNZQKKHIIFREDX-KRWDZBQOSA-N 1 0 318.461 3.251 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+]Cc2cc3ccccc3cc2O)c1 ZINC001250735434 1105571622 /nfs/dbraw/zinc/57/16/22/1105571622.db2.gz WEEFDXRTLZQSGT-FQEVSTJZSA-N 1 0 323.392 3.377 20 10 DGCDRO CCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001490921471 1105720526 /nfs/dbraw/zinc/72/05/26/1105720526.db2.gz DDFLGSFTGDUECJ-WKILWMFISA-N 1 0 318.461 3.177 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@H](O)COC(C)C ZINC001252702108 1105818707 /nfs/dbraw/zinc/81/87/07/1105818707.db2.gz KIQMJAZQROMMJL-KSSFIOAISA-N 1 0 321.461 3.008 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 ZINC001252860098 1105845764 /nfs/dbraw/zinc/84/57/64/1105845764.db2.gz PQNXFVYGZJYFSG-LJQANCHMSA-N 1 0 314.404 3.249 20 10 DGCDRO CCCC[C@H](CC)COC[C@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001253033552 1105880447 /nfs/dbraw/zinc/88/04/47/1105880447.db2.gz ZZXGFWBESPRXAK-FUHWJXTLSA-N 1 0 323.477 3.384 20 10 DGCDRO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001253033551 1105880874 /nfs/dbraw/zinc/88/08/74/1105880874.db2.gz ZZXGFWBESPRXAK-AEFFLSMTSA-N 1 0 323.477 3.384 20 10 DGCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253358717 1105927321 /nfs/dbraw/zinc/92/73/21/1105927321.db2.gz RPDJRLJEWLCMRO-QGZVFWFLSA-N 1 0 307.340 3.226 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254607681 1106112375 /nfs/dbraw/zinc/11/23/75/1106112375.db2.gz LZQYFEFSVBDUJA-KRWDZBQOSA-N 1 0 312.369 3.290 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCOC[C@@H]1CCOC1 ZINC001254720838 1106135819 /nfs/dbraw/zinc/13/58/19/1106135819.db2.gz AIXNCQVHKPZDGG-OWCLPIDISA-N 1 0 319.445 3.282 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254955178 1106159673 /nfs/dbraw/zinc/15/96/73/1106159673.db2.gz XOQMSPVTFYHMBX-DZFIZOCASA-N 1 0 312.457 3.476 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C3CCC(OC)CC3)CC2)cc1 ZINC001255465678 1106255349 /nfs/dbraw/zinc/25/53/49/1106255349.db2.gz QAMPAPUDHIASRT-UHFFFAOYSA-N 1 0 318.461 3.165 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC001257955243 1106650752 /nfs/dbraw/zinc/65/07/52/1106650752.db2.gz XFBMBKARFBVEMP-MRXNPFEDSA-N 1 0 316.832 3.499 20 10 DGCDRO CCOC(=O)CC[C@@H](C)[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001258502545 1106782682 /nfs/dbraw/zinc/78/26/82/1106782682.db2.gz JXJLVTLMESNHQS-OAHLLOKOSA-N 1 0 306.450 3.306 20 10 DGCDRO Cc1n[nH]c(=O)c(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c1C ZINC001320132397 1106890604 /nfs/dbraw/zinc/89/06/04/1106890604.db2.gz WYDQMNJSGFWYQZ-SNVBAGLBSA-N 1 0 307.781 3.009 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c(OC)c1 ZINC001258826866 1107009318 /nfs/dbraw/zinc/00/93/18/1107009318.db2.gz FDZIJENHNYMUAS-CVEARBPZSA-N 1 0 318.461 3.405 20 10 DGCDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320490057 1107023685 /nfs/dbraw/zinc/02/36/85/1107023685.db2.gz JRABPPVGIUCUOS-OAHLLOKOSA-N 1 0 307.457 3.198 20 10 DGCDRO c1c[nH]c(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001320494771 1107024821 /nfs/dbraw/zinc/02/48/21/1107024821.db2.gz YUXDGVGVJCCKQY-UHFFFAOYSA-N 1 0 310.445 3.390 20 10 DGCDRO c1cn([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001320498186 1107029206 /nfs/dbraw/zinc/02/92/06/1107029206.db2.gz ULCHBOBVGNWRLM-LJQANCHMSA-N 1 0 310.445 3.320 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC001320578534 1107059897 /nfs/dbraw/zinc/05/98/97/1107059897.db2.gz MNDCJLYCVLODOH-QGZVFWFLSA-N 1 0 317.429 3.189 20 10 DGCDRO OCC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccco1 ZINC001320583167 1107061549 /nfs/dbraw/zinc/06/15/49/1107061549.db2.gz FHBXADYGMOBEEV-KRWDZBQOSA-N 1 0 300.402 3.093 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CCC(O)(C(C)C)CC2)c1O ZINC001474749642 1107122050 /nfs/dbraw/zinc/12/20/50/1107122050.db2.gz QEIARXVICTVRBN-UHFFFAOYSA-N 1 0 313.825 3.037 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCN(CC(F)F)CC1 ZINC001320870241 1107169965 /nfs/dbraw/zinc/16/99/65/1107169965.db2.gz YTMDSCHJSHEONS-UHFFFAOYSA-N 1 0 311.420 3.091 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ncnn1C(C)(C)C ZINC001321374419 1107333657 /nfs/dbraw/zinc/33/36/57/1107333657.db2.gz ZWUINKOVNVTKRH-QWHCGFSZSA-N 1 0 314.433 3.385 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC001261390021 1107428225 /nfs/dbraw/zinc/42/82/25/1107428225.db2.gz YRJKTGDMIAAUEP-KBUPBQIOSA-N 1 0 316.445 3.130 20 10 DGCDRO O[C@@]1(C2CC2)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001261673095 1107501107 /nfs/dbraw/zinc/50/11/07/1107501107.db2.gz KZNRLCZUUJEDFE-IBGZPJMESA-N 1 0 300.446 3.024 20 10 DGCDRO Cc1cc(C(=O)NCC[NH+]2CC=CC2)c(C)n1-c1ccccc1C ZINC001322270078 1107602561 /nfs/dbraw/zinc/60/25/61/1107602561.db2.gz ROSFLUNWSTXAQZ-UHFFFAOYSA-N 1 0 323.440 3.004 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cc(F)ccc2F)c(O)c1OC ZINC001262363253 1107694347 /nfs/dbraw/zinc/69/43/47/1107694347.db2.gz NCUIGUNIKYXQOX-UHFFFAOYSA-N 1 0 323.339 3.020 20 10 DGCDRO Nc1ccc(C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC001262487942 1107718519 /nfs/dbraw/zinc/71/85/19/1107718519.db2.gz KPFBJQLHOODGKS-OAHLLOKOSA-N 1 0 310.319 3.111 20 10 DGCDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001324199698 1108203658 /nfs/dbraw/zinc/20/36/58/1108203658.db2.gz UYDLEIJPDLBIHJ-LJQANCHMSA-N 1 0 302.462 3.127 20 10 DGCDRO CO[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC001324541368 1108333592 /nfs/dbraw/zinc/33/35/92/1108333592.db2.gz JYLQWXBMHXNUKM-RDJZCZTQSA-N 1 0 301.361 3.496 20 10 DGCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001324916589 1108508985 /nfs/dbraw/zinc/50/89/85/1108508985.db2.gz WSUKORYZLVOFTG-QFBILLFUSA-N 1 0 302.462 3.412 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCC[C@H]3C1)CCCC2 ZINC001319687768 1108595435 /nfs/dbraw/zinc/59/54/35/1108595435.db2.gz RVROMPLYGRKNNI-LPHOPBHVSA-N 1 0 301.430 3.272 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCCC[C@H]1C ZINC001308201345 1111396412 /nfs/dbraw/zinc/39/64/12/1111396412.db2.gz CTBCWRJLQQEYJU-CABCVRRESA-N 1 0 307.457 3.244 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(F)c1 ZINC001308231645 1111401528 /nfs/dbraw/zinc/40/15/28/1111401528.db2.gz LQWQHEMUAUIFJU-IBGZPJMESA-N 1 0 314.404 3.249 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2cnc(C)s2)ccc1OC ZINC001308253625 1111405626 /nfs/dbraw/zinc/40/56/26/1111405626.db2.gz DWEZRFRBKTYLLN-UHFFFAOYSA-N 1 0 306.431 3.286 20 10 DGCDRO CC1(C)C(C)(C)C1(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001308542147 1111440365 /nfs/dbraw/zinc/44/03/65/1111440365.db2.gz RRDSXGDXYXQFHA-UHFFFAOYSA-N 1 0 302.462 3.438 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC001308562548 1111444595 /nfs/dbraw/zinc/44/45/95/1111444595.db2.gz FNSFTMMFQZQRSO-UHFFFAOYSA-N 1 0 305.418 3.101 20 10 DGCDRO CCC[N@H+](CCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308662199 1111457645 /nfs/dbraw/zinc/45/76/45/1111457645.db2.gz GEJDPHMCXRINCR-UHFFFAOYSA-N 1 0 324.468 3.454 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC001308683049 1111460341 /nfs/dbraw/zinc/46/03/41/1111460341.db2.gz AENURCKDDIGIRD-UHFFFAOYSA-N 1 0 310.441 3.328 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC001308687743 1111461224 /nfs/dbraw/zinc/46/12/24/1111461224.db2.gz YDGLCUDLNXRCDI-LJQANCHMSA-N 1 0 307.397 3.313 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(C(C)C)ccc2O)cn1 ZINC001308725802 1111465779 /nfs/dbraw/zinc/46/57/79/1111465779.db2.gz UWHICDDCOADVBW-UHFFFAOYSA-N 1 0 313.401 3.159 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c(O)c1 ZINC001308758418 1111470736 /nfs/dbraw/zinc/47/07/36/1111470736.db2.gz SGYYLSANQTUSGM-LSDHHAIUSA-N 1 0 307.434 3.225 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)[C@@](C)(O)c1ccccc1 ZINC001308845887 1111483701 /nfs/dbraw/zinc/48/37/01/1111483701.db2.gz MLZXVQYUJVLVGJ-SJKOYZFVSA-N 1 0 305.805 3.431 20 10 DGCDRO Cc1cccc2c1C[C@H]([NH2+]Cc1ccc(Cl)cc1O)CO2 ZINC001308873277 1111486986 /nfs/dbraw/zinc/48/69/86/1111486986.db2.gz KXQUQRAVSJUCTP-AWEZNQCLSA-N 1 0 303.789 3.447 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)c1 ZINC001308974053 1111503126 /nfs/dbraw/zinc/50/31/26/1111503126.db2.gz JZNFWGOAJDMCGR-UHFFFAOYSA-N 1 0 323.396 3.423 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(OC)cc1 ZINC000063255970 432004711 /nfs/dbraw/zinc/00/47/11/432004711.db2.gz ONZCPBCJCCTCNF-OAHLLOKOSA-N 1 0 315.369 3.370 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000179429425 432058605 /nfs/dbraw/zinc/05/86/05/432058605.db2.gz AIQPCNSPOAJBAU-SFHVURJKSA-N 1 0 301.361 3.413 20 10 DGCDRO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000166606634 432061708 /nfs/dbraw/zinc/06/17/08/432061708.db2.gz DCUIXZLUPVLNKX-UFYCRDLUSA-N 1 0 310.441 3.452 20 10 DGCDRO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1O)c1ccccc1 ZINC000179566993 432062537 /nfs/dbraw/zinc/06/25/37/432062537.db2.gz OYVTXRWWLFONOU-GOSISDBHSA-N 1 0 324.424 3.177 20 10 DGCDRO CCC[N@H+](Cc1ccoc1C(=O)OC)Cc1ccccc1O ZINC000170779287 432080485 /nfs/dbraw/zinc/08/04/85/432080485.db2.gz BVWXYQGGLRONTH-UHFFFAOYSA-N 1 0 303.358 3.184 20 10 DGCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000188491729 200255597 /nfs/dbraw/zinc/25/55/97/200255597.db2.gz UGEHWAKYIITWJS-QWHCGFSZSA-N 1 0 300.402 3.063 20 10 DGCDRO COCCCOc1cccc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000091974730 193134943 /nfs/dbraw/zinc/13/49/43/193134943.db2.gz AFOCWNQHTBXCOR-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000268783644 432133325 /nfs/dbraw/zinc/13/33/25/432133325.db2.gz UZZFSJWDYUHXLN-SFHVURJKSA-N 1 0 312.461 3.455 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc([S@](C)=O)cc1 ZINC000268897388 432146246 /nfs/dbraw/zinc/14/62/46/432146246.db2.gz ZDTQKOQIELWCMB-XMHCIUCPSA-N 1 0 315.438 3.210 20 10 DGCDRO COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3ccccc3O)C2)c1 ZINC000272831027 130067923 /nfs/dbraw/zinc/06/79/23/130067923.db2.gz HXJTUFCFCCSTLC-GJZGRUSLSA-N 1 0 312.413 3.330 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000273238817 130100020 /nfs/dbraw/zinc/10/00/20/130100020.db2.gz PUNWFWPAQBCAGA-AWEZNQCLSA-N 1 0 306.450 3.298 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000273238820 130100060 /nfs/dbraw/zinc/10/00/60/130100060.db2.gz PUNWFWPAQBCAGA-CQSZACIVSA-N 1 0 306.450 3.298 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCCCC3)c(O)c1C ZINC000273363607 130110930 /nfs/dbraw/zinc/11/09/30/130110930.db2.gz DJRUMGLSNSMKQK-CQSZACIVSA-N 1 0 314.433 3.178 20 10 DGCDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273372589 130112471 /nfs/dbraw/zinc/11/24/71/130112471.db2.gz GKCZNCZUYVNANL-GHMZBOCLSA-N 1 0 324.222 3.091 20 10 DGCDRO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000273383985 130114143 /nfs/dbraw/zinc/11/41/43/130114143.db2.gz IYNAUPNGFKGXTI-YJYMSZOUSA-N 1 0 324.424 3.148 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1O ZINC000273391149 130116166 /nfs/dbraw/zinc/11/61/66/130116166.db2.gz KSHUKPZTAWYEMM-LBPRGKRZSA-N 1 0 316.376 3.084 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)c(O)c1C ZINC000273419043 130119697 /nfs/dbraw/zinc/11/96/97/130119697.db2.gz RQIWRMZOEBWWLV-AWEZNQCLSA-N 1 0 305.418 3.345 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273432602 130120268 /nfs/dbraw/zinc/12/02/68/130120268.db2.gz WCXGFSSMJLHHQC-XNCJUZBTSA-N 1 0 318.122 3.273 20 10 DGCDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1O ZINC000273449206 130124393 /nfs/dbraw/zinc/12/43/93/130124393.db2.gz FPOYUTGLGAZJPB-LLVKDONJSA-N 1 0 304.321 3.333 20 10 DGCDRO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273624129 130147411 /nfs/dbraw/zinc/14/74/11/130147411.db2.gz ZWXLOTWHIUHQNP-ZDUSSCGKSA-N 1 0 321.421 3.073 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000273742793 130160392 /nfs/dbraw/zinc/16/03/92/130160392.db2.gz LZNNNLBFGIQPKJ-ZIAGYGMSSA-N 1 0 313.825 3.347 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000273805647 130170783 /nfs/dbraw/zinc/17/07/83/130170783.db2.gz XZCCLGGWDWOPBJ-UHFFFAOYSA-N 1 0 315.388 3.451 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)[C@@]12CCCO2 ZINC000274274091 130223365 /nfs/dbraw/zinc/22/33/65/130223365.db2.gz XDURTXNIISQXKK-RNJTYBCJSA-N 1 0 305.418 3.078 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000274820818 130264851 /nfs/dbraw/zinc/26/48/51/130264851.db2.gz BPDHMGWGJHJJIB-ROUUACIJSA-N 1 0 324.424 3.234 20 10 DGCDRO CCC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](O)c1ccccc1 ZINC000279635316 130755196 /nfs/dbraw/zinc/75/51/96/130755196.db2.gz IPONGNXJFLOLFD-MJGOQNOKSA-N 1 0 315.413 3.393 20 10 DGCDRO C[C@H](CCCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280287164 130794804 /nfs/dbraw/zinc/79/48/04/130794804.db2.gz NGANXQUWRXCLCU-LLVKDONJSA-N 1 0 304.356 3.022 20 10 DGCDRO C[S@](=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000280535708 130805719 /nfs/dbraw/zinc/80/57/19/130805719.db2.gz CLAHYPHERYEUNE-QFIPXVFZSA-N 1 0 320.502 3.068 20 10 DGCDRO COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000284241356 131062643 /nfs/dbraw/zinc/06/26/43/131062643.db2.gz FCOVWOLSLLVQHB-KSSFIOAISA-N 1 0 314.429 3.354 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000284440449 131080921 /nfs/dbraw/zinc/08/09/21/131080921.db2.gz SRVRXTSRIFZKNE-UHFFFAOYSA-N 1 0 312.461 3.472 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ncnn2-c2ccccc2)c(O)c1 ZINC000285159595 131143281 /nfs/dbraw/zinc/14/32/81/131143281.db2.gz MMPVVEXHFGHOKS-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(N2CCCCC2)cc1 ZINC000287415185 131278702 /nfs/dbraw/zinc/27/87/02/131278702.db2.gz RUWUTCYUAIPNMN-MRXNPFEDSA-N 1 0 320.477 3.115 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1F ZINC000287729736 131297943 /nfs/dbraw/zinc/29/79/43/131297943.db2.gz PBFYTKJCQPCQDW-SMDDNHRTSA-N 1 0 320.330 3.091 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287750728 131298724 /nfs/dbraw/zinc/29/87/24/131298724.db2.gz LRDAEMVLKRKVPV-MRXNPFEDSA-N 1 0 305.805 3.081 20 10 DGCDRO OC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000289236916 131367678 /nfs/dbraw/zinc/36/76/78/131367678.db2.gz DLWJZXKUAABADK-KOLCDFICSA-N 1 0 323.742 3.038 20 10 DGCDRO CCC(=O)CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000289244852 131368725 /nfs/dbraw/zinc/36/87/25/131368725.db2.gz AXSVJKSTERDWSP-KRWDZBQOSA-N 1 0 305.418 3.133 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)c2cnn(CC)c2)ccc1OC ZINC000294900269 131869549 /nfs/dbraw/zinc/86/95/49/131869549.db2.gz RMSZNZLIFPPYSH-CQSZACIVSA-N 1 0 317.433 3.299 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)CCC[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000295142465 131886226 /nfs/dbraw/zinc/88/62/26/131886226.db2.gz BULWIQWPTNSKAL-LBPRGKRZSA-N 1 0 317.408 3.090 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCN(c3ccccc3F)C1)CC2 ZINC000297388446 132013287 /nfs/dbraw/zinc/01/32/87/132013287.db2.gz RPBTXZFQGYAODD-ZBFHGGJFSA-N 1 0 312.388 3.387 20 10 DGCDRO CCc1nnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000298722837 132075360 /nfs/dbraw/zinc/07/53/60/132075360.db2.gz PKSQHHZYHJTUTB-UHFFFAOYSA-N 1 0 302.422 3.109 20 10 DGCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(OC)c1O ZINC000093688068 400253337 /nfs/dbraw/zinc/25/33/37/400253337.db2.gz VJVSVBYJBZFRSR-QGZVFWFLSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1O ZINC000074336188 400506886 /nfs/dbraw/zinc/50/68/86/400506886.db2.gz YSAPUYLXMZIASJ-UHFFFAOYSA-N 1 0 309.312 3.292 20 10 DGCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cc[nH]c3)cc2F)C[C@H](C)O1 ZINC000086251275 401176816 /nfs/dbraw/zinc/17/68/16/401176816.db2.gz XCNGSGVAIVFWEP-KBPBESRZSA-N 1 0 317.408 3.057 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000134621711 287055029 /nfs/dbraw/zinc/05/50/29/287055029.db2.gz ZCVNWMSCMKPDMI-HLLBOEOZSA-N 1 0 318.436 3.404 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)CCCCCC[NH3+])cc1F ZINC000269279659 432157976 /nfs/dbraw/zinc/15/79/76/432157976.db2.gz ZVFBVENMTUFVPY-UHFFFAOYSA-N 1 0 323.456 3.197 20 10 DGCDRO CCOCCO[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000138425397 432182234 /nfs/dbraw/zinc/18/22/34/432182234.db2.gz DDRVXBUSKHYYTD-INIZCTEOSA-N 1 0 315.413 3.173 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccccc1O ZINC000183613125 228375247 /nfs/dbraw/zinc/37/52/47/228375247.db2.gz YAPIDBDMKVXHEM-ZQIUZPCESA-N 1 0 310.397 3.237 20 10 DGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185439371 287675033 /nfs/dbraw/zinc/67/50/33/287675033.db2.gz DCDALLMHCFBNSC-BHDSKKPTSA-N 1 0 316.239 3.212 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2=CCCOC2)c(C(F)(F)F)c1 ZINC000288547728 273821320 /nfs/dbraw/zinc/82/13/20/273821320.db2.gz XKLXOCKOZYMEFB-UHFFFAOYSA-N 1 0 314.351 3.208 20 10 DGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297938504 274118840 /nfs/dbraw/zinc/11/88/40/274118840.db2.gz XZUWSSUAZUYJKH-CQSZACIVSA-N 1 0 314.341 3.086 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1cn[nH]c1 ZINC000280216449 274516746 /nfs/dbraw/zinc/51/67/46/274516746.db2.gz IOTIGNUQIGEXAS-JTQLQIEISA-N 1 0 312.339 3.345 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1F ZINC000282545561 276884011 /nfs/dbraw/zinc/88/40/11/276884011.db2.gz CLOJKWLJZJAGIU-KRWDZBQOSA-N 1 0 306.425 3.331 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)c(C(F)(F)F)c1 ZINC000280334927 276884041 /nfs/dbraw/zinc/88/40/41/276884041.db2.gz QHRZIGUAIGNQAO-MQMHXKEQSA-N 1 0 316.367 3.165 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1O ZINC000296060691 278012720 /nfs/dbraw/zinc/01/27/20/278012720.db2.gz QLCKVWHPECZTEW-INIZCTEOSA-N 1 0 321.442 3.312 20 10 DGCDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N(C)C)cc1 ZINC000134786032 278285332 /nfs/dbraw/zinc/28/53/32/278285332.db2.gz IXLYGSTUUNFSQQ-MGHWNKPDSA-N 1 0 300.446 3.361 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)cc1 ZINC000114509714 431394037 /nfs/dbraw/zinc/39/40/37/431394037.db2.gz IDMHIQZZOTYEPP-SFHVURJKSA-N 1 0 320.383 3.028 20 10 DGCDRO CC(C)[C@H](C[NH2+]Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000115629682 431465995 /nfs/dbraw/zinc/46/59/95/431465995.db2.gz NIXWSKYVPSZLNB-AWEZNQCLSA-N 1 0 308.422 3.031 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000119685877 431713558 /nfs/dbraw/zinc/71/35/58/431713558.db2.gz PCMBERQPANZTSO-LJQANCHMSA-N 1 0 301.478 3.420 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(NC(N)=O)cc1 ZINC000079001167 431712543 /nfs/dbraw/zinc/71/25/43/431712543.db2.gz INHJPUHZPRWLEJ-ZDUSSCGKSA-N 1 0 312.417 3.094 20 10 DGCDRO CCOc1cccc(C[NH+]2CCN(c3cccs3)CC2)c1O ZINC000093692143 431917032 /nfs/dbraw/zinc/91/70/32/431917032.db2.gz OJAKRSCZLJIBRY-UHFFFAOYSA-N 1 0 318.442 3.175 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090036403 431888996 /nfs/dbraw/zinc/88/89/96/431888996.db2.gz OZOUYRPVIHVJCB-GDBMZVCRSA-N 1 0 304.409 3.422 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090036401 431889018 /nfs/dbraw/zinc/88/90/18/431889018.db2.gz OZOUYRPVIHVJCB-ZBFHGGJFSA-N 1 0 304.409 3.422 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1ccccc1O ZINC000183316468 432282358 /nfs/dbraw/zinc/28/23/58/432282358.db2.gz IHPWEAXZIGVBPR-MAUKXSAKSA-N 1 0 315.413 3.181 20 10 DGCDRO Cc1nccn1CC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000270782723 432288747 /nfs/dbraw/zinc/28/87/47/432288747.db2.gz ANRXDPNRSHXUBJ-UHFFFAOYSA-N 1 0 300.450 3.168 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c(O)c1 ZINC000271177423 432346717 /nfs/dbraw/zinc/34/67/17/432346717.db2.gz BMLFVYKTMBQNTK-UHFFFAOYSA-N 1 0 305.418 3.184 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC000271455820 432398760 /nfs/dbraw/zinc/39/87/60/432398760.db2.gz FKGWJOCHQOTHMD-MAUKXSAKSA-N 1 0 307.434 3.474 20 10 DGCDRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000271303169 432370747 /nfs/dbraw/zinc/37/07/47/432370747.db2.gz SYGIEIORCNCZIM-UHFFFAOYSA-N 1 0 320.433 3.129 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)cc(OC)c1OC ZINC000192936429 432430933 /nfs/dbraw/zinc/43/09/33/432430933.db2.gz ZEWJPXGERDJLBZ-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1 ZINC000192940813 432432535 /nfs/dbraw/zinc/43/25/35/432432535.db2.gz FSJUNPIHUIHQTM-WFASDCNBSA-N 1 0 320.458 3.416 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCn2ccnc2)cc1 ZINC000271985513 432432775 /nfs/dbraw/zinc/43/27/75/432432775.db2.gz PDLZOBDAXJUTGW-UHFFFAOYSA-N 1 0 300.450 3.251 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1 ZINC000192940834 432432954 /nfs/dbraw/zinc/43/29/54/432432954.db2.gz FSJUNPIHUIHQTM-SWLSCSKDSA-N 1 0 320.458 3.416 20 10 DGCDRO C[C@H](c1ccccc1)[N@H+](CCn1cncn1)Cc1ccccc1O ZINC000272096206 432443231 /nfs/dbraw/zinc/44/32/31/432443231.db2.gz YYHDQRVEFYNJFL-MRXNPFEDSA-N 1 0 322.412 3.247 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1 ZINC000184963777 432451572 /nfs/dbraw/zinc/45/15/72/432451572.db2.gz REOURBNRBCTVHV-QGZVFWFLSA-N 1 0 321.804 3.052 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC000271639934 432422196 /nfs/dbraw/zinc/42/21/96/432422196.db2.gz GTOFQBHOGQBTNR-NSHDSACASA-N 1 0 302.330 3.160 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)CCC2CCOCC2)c1O ZINC000184697627 432422362 /nfs/dbraw/zinc/42/23/62/432422362.db2.gz GHAOQQRNFBVOCC-UHFFFAOYSA-N 1 0 313.825 3.303 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1O ZINC000271794038 432423552 /nfs/dbraw/zinc/42/35/52/432423552.db2.gz HLUOXRMNHCCOHL-GXFFZTMASA-N 1 0 314.223 3.120 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000271762243 432423846 /nfs/dbraw/zinc/42/38/46/432423846.db2.gz FBGZHDQLBDKXAC-CVEARBPZSA-N 1 0 301.386 3.382 20 10 DGCDRO COCC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185290205 432487800 /nfs/dbraw/zinc/48/78/00/432487800.db2.gz QMHOHFNYMGLVFZ-ZJUUUORDSA-N 1 0 302.212 3.230 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000185291141 432487879 /nfs/dbraw/zinc/48/78/79/432487879.db2.gz WQEDZWUUXABZNS-GFCCVEGCSA-N 1 0 316.367 3.378 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c1 ZINC000185351720 432494805 /nfs/dbraw/zinc/49/48/05/432494805.db2.gz KWUXTIZIGNFHSQ-QWHCGFSZSA-N 1 0 301.386 3.388 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000185370016 432496496 /nfs/dbraw/zinc/49/64/96/432496496.db2.gz LHLKRFOSIZHFOS-SWLSCSKDSA-N 1 0 305.805 3.300 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000185442730 432500460 /nfs/dbraw/zinc/50/04/60/432500460.db2.gz SYNYKVOKXCHIJW-WCQYABFASA-N 1 0 324.396 3.191 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1 ZINC000185518759 432506858 /nfs/dbraw/zinc/50/68/58/432506858.db2.gz TXMHIYXEHQYBGQ-BDJLRTHQSA-N 1 0 307.415 3.021 20 10 DGCDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185511667 432506871 /nfs/dbraw/zinc/50/68/71/432506871.db2.gz UCYNBXSPWZZTNT-XWCIJXRUSA-N 1 0 309.475 3.034 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1 ZINC000185518744 432506948 /nfs/dbraw/zinc/50/69/48/432506948.db2.gz TXMHIYXEHQYBGQ-MEDUHNTESA-N 1 0 307.415 3.021 20 10 DGCDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185504261 432506983 /nfs/dbraw/zinc/50/69/83/432506983.db2.gz AJPYKYHAMYWIOL-KOLCDFICSA-N 1 0 302.212 3.230 20 10 DGCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000193911077 432508388 /nfs/dbraw/zinc/50/83/88/432508388.db2.gz MUDJCLHDJDJUAV-HNNXBMFYSA-N 1 0 312.413 3.090 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(F)ccc1O ZINC000185526356 432508400 /nfs/dbraw/zinc/50/84/00/432508400.db2.gz PRBKLIVASOGXTL-UKRRQHHQSA-N 1 0 303.377 3.348 20 10 DGCDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000193918243 432508666 /nfs/dbraw/zinc/50/86/66/432508666.db2.gz QTZYUANMHPZPBF-KGLIPLIRSA-N 1 0 312.413 3.207 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCc3sccc3C2)c1 ZINC000185104742 432466603 /nfs/dbraw/zinc/46/66/03/432466603.db2.gz GFNKZELDRVMMAG-AWEZNQCLSA-N 1 0 316.470 3.471 20 10 DGCDRO CCCOc1ncccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185143207 432470528 /nfs/dbraw/zinc/47/05/28/432470528.db2.gz NOBMFHMDUALVAO-ZDUSSCGKSA-N 1 0 316.401 3.435 20 10 DGCDRO C[C@@H]([NH2+]CCCOC1CCOCC1)c1cc(Cl)ccc1O ZINC000186074127 432555563 /nfs/dbraw/zinc/55/55/63/432555563.db2.gz KIEZICFFSIKTPY-GFCCVEGCSA-N 1 0 313.825 3.282 20 10 DGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186068142 432556416 /nfs/dbraw/zinc/55/64/16/432556416.db2.gz GHFIILFFWYABGT-AWEZNQCLSA-N 1 0 316.401 3.073 20 10 DGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186068458 432556883 /nfs/dbraw/zinc/55/68/83/432556883.db2.gz APYLNTNGXVAXLZ-AWEZNQCLSA-N 1 0 316.401 3.073 20 10 DGCDRO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185673494 432521906 /nfs/dbraw/zinc/52/19/06/432521906.db2.gz UJURBEHJQQPTDF-DZKIICNBSA-N 1 0 315.413 3.390 20 10 DGCDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185673511 432522990 /nfs/dbraw/zinc/52/29/90/432522990.db2.gz UJURBEHJQQPTDF-YCPHGPKFSA-N 1 0 315.413 3.390 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc2c(cc1O)CCCC2 ZINC000185736346 432529303 /nfs/dbraw/zinc/52/93/03/432529303.db2.gz FKMUANFBUDVJFI-CPUCHLNUSA-N 1 0 303.446 3.473 20 10 DGCDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)OC ZINC000272699695 432532378 /nfs/dbraw/zinc/53/23/78/432532378.db2.gz RTMVZLNDPAEKRP-VQIMIIECSA-N 1 0 320.477 3.379 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000185812752 432534488 /nfs/dbraw/zinc/53/44/88/432534488.db2.gz KAACORXIBABBHC-WMLDXEAASA-N 1 0 310.397 3.157 20 10 DGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185866176 432540009 /nfs/dbraw/zinc/54/00/09/432540009.db2.gz AHXSJIHKBYBVOR-SNVBAGLBSA-N 1 0 323.824 3.201 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1cc(Br)ccc1O ZINC000186233963 432570436 /nfs/dbraw/zinc/57/04/36/432570436.db2.gz NQDLCSAZGIVAKV-CMPLNLGQSA-N 1 0 314.223 3.374 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c1 ZINC000186230536 432571401 /nfs/dbraw/zinc/57/14/01/432571401.db2.gz XEXBUMUVUQKTHV-ZFWWWQNUSA-N 1 0 321.417 3.127 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186355017 432586429 /nfs/dbraw/zinc/58/64/29/432586429.db2.gz WZEHTVZGWQUYOY-ZUXXIDCJSA-N 1 0 317.429 3.399 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCC([NH2+]C(C)C)CC2)c1O ZINC000177116763 432587161 /nfs/dbraw/zinc/58/71/61/432587161.db2.gz PKBDDRRQAVTTFZ-UHFFFAOYSA-N 1 0 324.852 3.211 20 10 DGCDRO CCCN(Cc1cccc(OC)c1O)c1ccc(C[NH3+])cc1 ZINC000194977613 432590763 /nfs/dbraw/zinc/59/07/63/432590763.db2.gz VLLONLHZCQHNPL-UHFFFAOYSA-N 1 0 300.402 3.276 20 10 DGCDRO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273421131 432597378 /nfs/dbraw/zinc/59/73/78/432597378.db2.gz SCXYNUAQPPJMIV-UONOGXRCSA-N 1 0 323.437 3.462 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000273463318 432601631 /nfs/dbraw/zinc/60/16/31/432601631.db2.gz INCQBXMISURDSZ-FOGDFJRCSA-N 1 0 314.223 3.373 20 10 DGCDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187180846 432649675 /nfs/dbraw/zinc/64/96/75/432649675.db2.gz NNDWCVVRAGHYHP-HZMBPMFUSA-N 1 0 316.239 3.275 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000227690834 432713016 /nfs/dbraw/zinc/71/30/16/432713016.db2.gz HVUCFUWKVILIKU-MNOVXSKESA-N 1 0 312.385 3.095 20 10 DGCDRO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc3c(c1)CCO3)n2C ZINC000187584491 432671112 /nfs/dbraw/zinc/67/11/12/432671112.db2.gz AMTBTRCUYSNDAK-UHFFFAOYSA-N 1 0 307.397 3.106 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)cc1C ZINC000237267324 432784054 /nfs/dbraw/zinc/78/40/54/432784054.db2.gz RSPQEENNSZOAMZ-ZDUSSCGKSA-N 1 0 313.401 3.345 20 10 DGCDRO C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccccc1O ZINC000245824120 432863798 /nfs/dbraw/zinc/86/37/98/432863798.db2.gz XHNCOTVHSFCCDD-NVXWUHKLSA-N 1 0 316.445 3.005 20 10 DGCDRO OCC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000288385485 432891457 /nfs/dbraw/zinc/89/14/57/432891457.db2.gz GLBFNDCBYYOQLZ-QGZVFWFLSA-N 1 0 317.816 3.488 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1O ZINC000278966514 432922493 /nfs/dbraw/zinc/92/24/93/432922493.db2.gz HDTFIDJAVOSIQQ-HNNXBMFYSA-N 1 0 309.768 3.316 20 10 DGCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1F ZINC000296482684 432913452 /nfs/dbraw/zinc/91/34/52/432913452.db2.gz QCRMXXFUJYMFCY-UHFFFAOYSA-N 1 0 314.404 3.261 20 10 DGCDRO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000296552926 432921031 /nfs/dbraw/zinc/92/10/31/432921031.db2.gz RQJVQXOIYLXGBO-NXEZZACHSA-N 1 0 316.239 3.355 20 10 DGCDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000296560266 432922040 /nfs/dbraw/zinc/92/20/40/432922040.db2.gz SFDGIULWMJIURP-MNOVXSKESA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000297181481 432970494 /nfs/dbraw/zinc/97/04/94/432970494.db2.gz DYGCEBBZRRZVEU-KUHUBIRLSA-N 1 0 316.420 3.146 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1C ZINC000289699188 432971917 /nfs/dbraw/zinc/97/19/17/432971917.db2.gz ONQIFPFUUHOWGF-ZIAGYGMSSA-N 1 0 317.351 3.002 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(C)OCCc3sccc32)c1 ZINC000289853020 432977148 /nfs/dbraw/zinc/97/71/48/432977148.db2.gz PTTSDQHRWBJSNS-KRWDZBQOSA-N 1 0 303.427 3.340 20 10 DGCDRO OC[C@]1(C[NH2+]Cc2c(O)cccc2Cl)C[C@H]1c1ccccc1 ZINC000289957950 432981274 /nfs/dbraw/zinc/98/12/74/432981274.db2.gz VFSJBWPNBOHPRS-MAUKXSAKSA-N 1 0 317.816 3.301 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c(OC)n1 ZINC000290075958 432988116 /nfs/dbraw/zinc/98/81/16/432988116.db2.gz GJLYAXYXIADHFD-JTQLQIEISA-N 1 0 322.792 3.309 20 10 DGCDRO CN(C)C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000297470462 432994928 /nfs/dbraw/zinc/99/49/28/432994928.db2.gz YPFINBHKLJVGAA-IAGOWNOFSA-N 1 0 314.404 3.411 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCc2ccncc2)c(C(F)(F)F)c1 ZINC000280162081 433008349 /nfs/dbraw/zinc/00/83/49/433008349.db2.gz FRZPTYCZDMBYGV-UHFFFAOYSA-N 1 0 323.362 3.499 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)[C@@]12CCCO2 ZINC000280218771 433017064 /nfs/dbraw/zinc/01/70/64/433017064.db2.gz UNXYJVGNBBHVAU-KANFNMMFSA-N 1 0 319.445 3.468 20 10 DGCDRO CC[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000280239234 433019997 /nfs/dbraw/zinc/01/99/97/433019997.db2.gz VWUVIIJXFKJHEB-AWEZNQCLSA-N 1 0 308.422 3.266 20 10 DGCDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000290536016 433084394 /nfs/dbraw/zinc/08/43/94/433084394.db2.gz QZMIPLYYEQYYDQ-AWEZNQCLSA-N 1 0 300.358 3.099 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000374527098 433210517 /nfs/dbraw/zinc/21/05/17/433210517.db2.gz NUMPGFNRBXNERQ-NEWSRXKRSA-N 1 0 318.461 3.131 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000290953004 433213280 /nfs/dbraw/zinc/21/32/80/433213280.db2.gz QULHPIITXSCJEE-WMZOPIPTSA-N 1 0 317.429 3.324 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c(O)c1 ZINC000290993741 433216338 /nfs/dbraw/zinc/21/63/38/433216338.db2.gz VMEFAQHNXNHOFJ-INIZCTEOSA-N 1 0 315.417 3.133 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)cc1 ZINC000280907988 433223505 /nfs/dbraw/zinc/22/35/05/433223505.db2.gz CTUYIMVSFZOBPN-SZNDQCEHSA-N 1 0 308.491 3.095 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@]2(C)OCCc3sccc32)c1 ZINC000291653103 433301012 /nfs/dbraw/zinc/30/10/12/433301012.db2.gz URVDAUYQYGECAK-KRWDZBQOSA-N 1 0 319.426 3.040 20 10 DGCDRO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000281721260 433358193 /nfs/dbraw/zinc/35/81/93/433358193.db2.gz UOQFAPJLAZNCAC-SJLPKXTDSA-N 1 0 320.477 3.115 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC23CCOCC3)c1O ZINC000282146456 433512495 /nfs/dbraw/zinc/51/24/95/433512495.db2.gz SHGKIVCJQICJGG-INIZCTEOSA-N 1 0 321.392 3.173 20 10 DGCDRO Oc1ccccc1C[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000282299691 433561661 /nfs/dbraw/zinc/56/16/61/433561661.db2.gz RSPXNQVLVMZVMH-UHFFFAOYSA-N 1 0 312.291 3.018 20 10 DGCDRO COCC(C)(C)[N@H+](C)Cc1cc(Br)ccc1O ZINC000292746125 433591175 /nfs/dbraw/zinc/59/11/75/433591175.db2.gz HZEFUOCTTDVIRH-UHFFFAOYSA-N 1 0 302.212 3.012 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292802122 433599276 /nfs/dbraw/zinc/59/92/76/433599276.db2.gz NRPGJYJAQPNBHQ-INIZCTEOSA-N 1 0 305.418 3.039 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1O ZINC000292864103 433600829 /nfs/dbraw/zinc/60/08/29/433600829.db2.gz VRBIKLFUXLPIEA-HNNXBMFYSA-N 1 0 300.377 3.208 20 10 DGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293667226 433823991 /nfs/dbraw/zinc/82/39/91/433823991.db2.gz QBZIJEITDBRIDE-IAQYHMDHSA-N 1 0 301.789 3.478 20 10 DGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293667229 433824931 /nfs/dbraw/zinc/82/49/31/433824931.db2.gz QBZIJEITDBRIDE-NHYWBVRUSA-N 1 0 301.789 3.478 20 10 DGCDRO C[C@@H]1C[C@H](CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293636711 433810389 /nfs/dbraw/zinc/81/03/89/433810389.db2.gz NPCYLUCRXTVUGS-GHMZBOCLSA-N 1 0 301.789 3.480 20 10 DGCDRO COC1(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CCC1 ZINC000293900807 433916160 /nfs/dbraw/zinc/91/61/60/433916160.db2.gz WANLYELFOSDMKW-MRXNPFEDSA-N 1 0 318.461 3.133 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)c1O ZINC000294000011 433955698 /nfs/dbraw/zinc/95/56/98/433955698.db2.gz MFTFESBTZIPAJC-HNNXBMFYSA-N 1 0 313.825 3.301 20 10 DGCDRO COC[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000294325161 434086373 /nfs/dbraw/zinc/08/63/73/434086373.db2.gz XEEXCLRFASPCRC-INIZCTEOSA-N 1 0 311.809 3.107 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)CC(C)(C)O)c1O ZINC000295067759 434176101 /nfs/dbraw/zinc/17/61/01/434176101.db2.gz OXVWKTDAGZMISB-SNVBAGLBSA-N 1 0 316.239 3.102 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cnc(OC)c(Cl)c2)c1O ZINC000295130177 434218735 /nfs/dbraw/zinc/21/87/35/434218735.db2.gz YKBLRPLAEQKECR-UHFFFAOYSA-N 1 0 322.792 3.138 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000364068499 434223336 /nfs/dbraw/zinc/22/33/36/434223336.db2.gz SQHBRQOVTNJMOE-ZWKOTPCHSA-N 1 0 305.418 3.086 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1CC2(CC2)c2ccccc21 ZINC000423199266 434280818 /nfs/dbraw/zinc/28/08/18/434280818.db2.gz BDJJQVRIRZKVFE-UHFFFAOYSA-N 1 0 306.409 3.141 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368127884 434564981 /nfs/dbraw/zinc/56/49/81/434564981.db2.gz XYZSYQQNFBPZOF-CYBMUJFWSA-N 1 0 312.200 3.343 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1F ZINC000368765179 434582176 /nfs/dbraw/zinc/58/21/76/434582176.db2.gz MPOJKAWRUFNOAH-MSOLQXFVSA-N 1 0 306.425 3.187 20 10 DGCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000527536344 435012886 /nfs/dbraw/zinc/01/28/86/435012886.db2.gz WRQDCIRQHPJACG-SFHVURJKSA-N 1 0 312.413 3.277 20 10 DGCDRO CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1ccc(OC)cc1 ZINC000662470950 436351673 /nfs/dbraw/zinc/35/16/73/436351673.db2.gz ZCTIZTDTJZFQIM-UHFFFAOYSA-N 1 0 310.397 3.008 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)ccc1N(C)C ZINC000293580383 335109272 /nfs/dbraw/zinc/10/92/72/335109272.db2.gz NQFCPOKJNFSWLX-OAQYLSRUSA-N 1 0 324.468 3.197 20 10 DGCDRO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000185704975 333212475 /nfs/dbraw/zinc/21/24/75/333212475.db2.gz JEKUMYOJWRXXTJ-RHSMWYFYSA-N 1 0 319.445 3.117 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000021048344 333386880 /nfs/dbraw/zinc/38/68/80/333386880.db2.gz WYLYIYKSJUIFGF-AWEZNQCLSA-N 1 0 302.443 3.436 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cc(F)ccc2O)cc(OC)c1 ZINC000272347312 334033595 /nfs/dbraw/zinc/03/35/95/334033595.db2.gz ZWWVBXZQOQJCNL-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000360059573 337084788 /nfs/dbraw/zinc/08/47/88/337084788.db2.gz PQSWRTAUFULZML-JKSUJKDBSA-N 1 0 318.461 3.069 20 10 DGCDRO CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000529670389 340767505 /nfs/dbraw/zinc/76/75/05/340767505.db2.gz TVWOSSNJNKJLKU-KGLIPLIRSA-N 1 0 314.223 3.200 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCCC(C)(C)CO)CC2)cc1 ZINC000305158986 534000521 /nfs/dbraw/zinc/00/05/21/534000521.db2.gz QUJIJRDZUYFSSX-UHFFFAOYSA-N 1 0 320.477 3.052 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000185125326 534203808 /nfs/dbraw/zinc/20/38/08/534203808.db2.gz JRDDYCQNEJDRQG-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO CCOCCOCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000191570478 519994045 /nfs/dbraw/zinc/99/40/45/519994045.db2.gz GUAKTXGHCZCWSO-UHFFFAOYSA-N 1 0 320.477 3.162 20 10 DGCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000189405260 520214188 /nfs/dbraw/zinc/21/41/88/520214188.db2.gz UNHKTURJVCAMSN-HOTGVXAUSA-N 1 0 317.477 3.194 20 10 DGCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000189405307 520215378 /nfs/dbraw/zinc/21/53/78/520215378.db2.gz UNHKTURJVCAMSN-CVEARBPZSA-N 1 0 317.477 3.194 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161740016 520288731 /nfs/dbraw/zinc/28/87/31/520288731.db2.gz OYUGBDNEKZVABF-HNNXBMFYSA-N 1 0 318.461 3.479 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@](CC)(CO)C2)c(O)c1 ZINC000190212108 520349557 /nfs/dbraw/zinc/34/95/57/520349557.db2.gz GEDTXIXEMBVLGS-SFHVURJKSA-N 1 0 307.434 3.166 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000265227245 520911645 /nfs/dbraw/zinc/91/16/45/520911645.db2.gz IJKYADXDNPFWMR-IBGZPJMESA-N 1 0 316.420 3.495 20 10 DGCDRO CCOC(=O)[C@](C)(C[NH2+]Cc1ccccc1O)c1ccccc1 ZINC000191640067 521318684 /nfs/dbraw/zinc/31/86/84/521318684.db2.gz JKMZWWPIPHJMPF-LJQANCHMSA-N 1 0 313.397 3.003 20 10 DGCDRO CCOc1cccc(C[N@H+](CCO)Cc2ccc(C)cc2)c1O ZINC000180845739 521334058 /nfs/dbraw/zinc/33/40/58/521334058.db2.gz RPKQPHOSAKRQLA-UHFFFAOYSA-N 1 0 315.413 3.094 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCS[C@@H](C)CC2)c1O ZINC000190694435 522538559 /nfs/dbraw/zinc/53/85/59/522538559.db2.gz OZERORJMUSUODX-JTQLQIEISA-N 1 0 301.839 3.382 20 10 DGCDRO COC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000159183700 522915161 /nfs/dbraw/zinc/91/51/61/522915161.db2.gz RNYRQKRQDXUTBB-UHFFFAOYSA-N 1 0 316.445 3.062 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000157419230 524402635 /nfs/dbraw/zinc/40/26/35/524402635.db2.gz UJWFIKWAKPAJBL-UHFFFAOYSA-N 1 0 322.452 3.421 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCCN(C)Cc2ccccc2)c1 ZINC000237204110 524750578 /nfs/dbraw/zinc/75/05/78/524750578.db2.gz LAEBECAYDJZUHC-UHFFFAOYSA-N 1 0 314.429 3.013 20 10 DGCDRO C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(Cl)ccc1O ZINC000185443952 525313666 /nfs/dbraw/zinc/31/36/66/525313666.db2.gz BMDXFEXVBXMTIT-LBPRGKRZSA-N 1 0 324.852 3.345 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](O)c1cccc(F)c1 ZINC000267180341 525445895 /nfs/dbraw/zinc/44/58/95/525445895.db2.gz KANYPYIZICFYJA-SGTLLEGYSA-N 1 0 320.383 3.243 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000160548717 525446185 /nfs/dbraw/zinc/44/61/85/525446185.db2.gz XGINOKLIHLBKJL-FPTDNZKUSA-N 1 0 316.470 3.341 20 10 DGCDRO C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000130585266 525467385 /nfs/dbraw/zinc/46/73/85/525467385.db2.gz IFHHUCQXOUAPJL-OAHLLOKOSA-N 1 0 308.429 3.294 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000160548856 525525221 /nfs/dbraw/zinc/52/52/21/525525221.db2.gz XGINOKLIHLBKJL-PEBXRYMYSA-N 1 0 316.470 3.341 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1cc(Br)ccc1O ZINC000186233998 525608230 /nfs/dbraw/zinc/60/82/30/525608230.db2.gz NQDLCSAZGIVAKV-JQWIXIFHSA-N 1 0 314.223 3.374 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc2c(cc1O)CCCC2 ZINC000188002151 525637716 /nfs/dbraw/zinc/63/77/16/525637716.db2.gz MAUXOPCQMKRLOT-HBUWYVDXSA-N 1 0 303.446 3.473 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000159649820 525679003 /nfs/dbraw/zinc/67/90/03/525679003.db2.gz JOPITBZAADKEMX-HIFRSBDPSA-N 1 0 324.465 3.209 20 10 DGCDRO Cc1ccc([C@H](C[NH2+]Cc2cc(F)ccc2O)N2CCCC2)o1 ZINC000180917979 525959023 /nfs/dbraw/zinc/95/90/23/525959023.db2.gz NMDVSFAAQZCRCD-INIZCTEOSA-N 1 0 318.392 3.359 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C)COC2)c1O ZINC000187199540 526160755 /nfs/dbraw/zinc/16/07/55/526160755.db2.gz GLKGAFUXOGIQBX-JTQLQIEISA-N 1 0 314.223 3.150 20 10 DGCDRO Cc1cncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000189951828 526192045 /nfs/dbraw/zinc/19/20/45/526192045.db2.gz QXWPKUIQNNNPKA-SFHVURJKSA-N 1 0 312.413 3.277 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000180243466 526348946 /nfs/dbraw/zinc/34/89/46/526348946.db2.gz CWBIEFLAUQBSTI-KRWDZBQOSA-N 1 0 323.408 3.081 20 10 DGCDRO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000178515149 526745771 /nfs/dbraw/zinc/74/57/71/526745771.db2.gz UMGQNVWSJDWUBF-INIZCTEOSA-N 1 0 317.477 3.244 20 10 DGCDRO Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000160422587 527493065 /nfs/dbraw/zinc/49/30/65/527493065.db2.gz PLMMDAPVPXAJNL-GOSISDBHSA-N 1 0 309.413 3.262 20 10 DGCDRO Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000238005849 527493789 /nfs/dbraw/zinc/49/37/89/527493789.db2.gz ZBDIVGBZOBHBTG-INIZCTEOSA-N 1 0 309.413 3.120 20 10 DGCDRO CC(C)N1C[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1=O ZINC000273449184 535266483 /nfs/dbraw/zinc/26/64/83/535266483.db2.gz FOSOMCYAKPMEMF-UKRRQHHQSA-N 1 0 312.413 3.205 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2c(C)cnn2C)cc1F ZINC000286527761 535686065 /nfs/dbraw/zinc/68/60/65/535686065.db2.gz NMYGJXUPSXOKLA-UHFFFAOYSA-N 1 0 304.413 3.004 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(C)(C)n2cncn2)cc1 ZINC000283832475 535686661 /nfs/dbraw/zinc/68/66/61/535686661.db2.gz AQFWPYVYZSIGQL-HNNXBMFYSA-N 1 0 315.465 3.038 20 10 DGCDRO CC[C@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1ccccc1O ZINC000274960045 535902641 /nfs/dbraw/zinc/90/26/41/535902641.db2.gz WLAMRPNXRLHYGM-KRWDZBQOSA-N 1 0 312.413 3.171 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cnc(OC)c(Cl)c2)cc1C ZINC000295091677 546424951 /nfs/dbraw/zinc/42/49/51/546424951.db2.gz TXSNCJFQFSBKJK-UHFFFAOYSA-N 1 0 306.793 3.350 20 10 DGCDRO O=C1CCCN1CCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848329 574560335 /nfs/dbraw/zinc/56/03/35/574560335.db2.gz WKSIBYMYDFYOOR-UHFFFAOYSA-N 1 0 316.445 3.149 20 10 DGCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000732198625 574568656 /nfs/dbraw/zinc/56/86/56/574568656.db2.gz ZOKUVYYULUFHCX-MRXNPFEDSA-N 1 0 311.429 3.364 20 10 DGCDRO CCC(CC)[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N(C)C ZINC000733324144 574615365 /nfs/dbraw/zinc/61/53/65/574615365.db2.gz JSOVTAPMSMXOON-GOSISDBHSA-N 1 0 309.473 3.348 20 10 DGCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc4c(c3)CCO4)c2c1 ZINC000733327935 574616138 /nfs/dbraw/zinc/61/61/38/574616138.db2.gz LSIWLJBQHJANLR-UHFFFAOYSA-N 1 0 322.408 3.444 20 10 DGCDRO CCOC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000733787551 574638488 /nfs/dbraw/zinc/63/84/88/574638488.db2.gz LHFFCEFDIUEBCU-CQSZACIVSA-N 1 0 300.402 3.189 20 10 DGCDRO COc1ccc(C[NH2+]CC(C)(C)Oc2ccccc2)c(O)c1 ZINC000734161008 574653569 /nfs/dbraw/zinc/65/35/69/574653569.db2.gz KHFYCJFMSXHHRJ-UHFFFAOYSA-N 1 0 301.386 3.348 20 10 DGCDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000734477168 574663789 /nfs/dbraw/zinc/66/37/89/574663789.db2.gz LWCCUDCUOUJOFF-HIFRSBDPSA-N 1 0 311.381 3.499 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cn3cccc(C)c3n2)c(O)c1 ZINC000736642167 574762243 /nfs/dbraw/zinc/76/22/43/574762243.db2.gz SOOBPARRYZVFRE-UHFFFAOYSA-N 1 0 311.385 3.037 20 10 DGCDRO CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000738285881 574864530 /nfs/dbraw/zinc/86/45/30/574864530.db2.gz QDXSTYFTHXWTFJ-MRXNPFEDSA-N 1 0 320.477 3.167 20 10 DGCDRO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000740003946 574917980 /nfs/dbraw/zinc/91/79/80/574917980.db2.gz DTVWEKWOXPOSFW-IRXDYDNUSA-N 1 0 319.468 3.388 20 10 DGCDRO Oc1ccccc1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000741157816 574952603 /nfs/dbraw/zinc/95/26/03/574952603.db2.gz CYXZVVDXGNFKBC-UHFFFAOYSA-N 1 0 311.410 3.243 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000741678529 574966327 /nfs/dbraw/zinc/96/63/27/574966327.db2.gz SWPLAYJLXIKOBL-OAHLLOKOSA-N 1 0 319.493 3.268 20 10 DGCDRO CCCOC(=O)[C@@H](C)[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000741785046 574971144 /nfs/dbraw/zinc/97/11/44/574971144.db2.gz NSDGUEGMOMHXHH-CQSZACIVSA-N 1 0 305.418 3.479 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](N3CC=CC3)C2)cc1C(C)C ZINC000742163820 574983513 /nfs/dbraw/zinc/98/35/13/574983513.db2.gz WLEVWAFLNOYJRK-KRWDZBQOSA-N 1 0 300.446 3.270 20 10 DGCDRO Cc1cccc(F)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000742380943 574994644 /nfs/dbraw/zinc/99/46/44/574994644.db2.gz UDDUFWBJWAVAER-UHFFFAOYSA-N 1 0 314.404 3.261 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CC[C@@H](C)C2)cc1F ZINC000744450400 575343910 /nfs/dbraw/zinc/34/39/10/575343910.db2.gz SUIXVASEMRUFRB-OAHLLOKOSA-N 1 0 307.457 3.103 20 10 DGCDRO COC(=O)/C(C)=C\C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000748818215 575609714 /nfs/dbraw/zinc/60/97/14/575609714.db2.gz SDKPZNBJUDEAKC-KAMYIIQDSA-N 1 0 303.402 3.256 20 10 DGCDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1cc(Br)ccc1O ZINC000749293680 575642728 /nfs/dbraw/zinc/64/27/28/575642728.db2.gz CSEOLGZKGCWINN-NSHDSACASA-N 1 0 321.218 3.271 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000749571554 575665629 /nfs/dbraw/zinc/66/56/29/575665629.db2.gz YKHFQBIYTKNDRT-MRXNPFEDSA-N 1 0 313.445 3.082 20 10 DGCDRO CC[N@H+](CCc1ccccn1)Cc1cc(F)cc(C(C)=O)c1O ZINC000750819450 575753487 /nfs/dbraw/zinc/75/34/87/575753487.db2.gz PFXNYCFCNTXPSY-UHFFFAOYSA-N 1 0 316.376 3.194 20 10 DGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000750826909 575753991 /nfs/dbraw/zinc/75/39/91/575753991.db2.gz UBWXMYMEQWXKHN-JKSUJKDBSA-N 1 0 323.408 3.369 20 10 DGCDRO COC[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000751945625 575813878 /nfs/dbraw/zinc/81/38/78/575813878.db2.gz ALKJDXKTOOCDIX-AWEZNQCLSA-N 1 0 301.386 3.165 20 10 DGCDRO COCCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725846199 575928665 /nfs/dbraw/zinc/92/86/65/575928665.db2.gz WLDAWGCVSOTXIF-UHFFFAOYSA-N 1 0 321.421 3.101 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)Cc1ccc(F)cc1 ZINC000725846285 575928698 /nfs/dbraw/zinc/92/86/98/575928698.db2.gz BWYAYQVSTBXIFZ-CYBMUJFWSA-N 1 0 323.795 3.126 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1C(C)C ZINC000727170237 576110613 /nfs/dbraw/zinc/11/06/13/576110613.db2.gz UZXMADWBCFMBPO-QGZVFWFLSA-N 1 0 302.462 3.494 20 10 DGCDRO COCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCCC1 ZINC000750816920 576158966 /nfs/dbraw/zinc/15/89/66/576158966.db2.gz CQTOAKRESWMCHZ-UHFFFAOYSA-N 1 0 309.381 3.125 20 10 DGCDRO CCCC[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000916835137 620647088 /nfs/dbraw/zinc/64/70/88/620647088.db2.gz BTXJKWNBASJJKW-UHFFFAOYSA-N 1 0 316.367 3.432 20 10 DGCDRO CC1=CC[C@@](C)(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000852791547 620649192 /nfs/dbraw/zinc/64/91/92/620649192.db2.gz JBCABPGSXSKPGQ-IEBWSBKVSA-N 1 0 315.461 3.005 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000852800580 620649365 /nfs/dbraw/zinc/64/93/65/620649365.db2.gz QFRWGUROLXAQBH-SFHVURJKSA-N 1 0 324.424 3.365 20 10 DGCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCCc2cc(F)ccc21 ZINC000852811738 620650456 /nfs/dbraw/zinc/65/04/56/620650456.db2.gz JXXNOLCPVJDUCI-UHFFFAOYSA-N 1 0 310.372 3.064 20 10 DGCDRO CCCCOC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074351 620654891 /nfs/dbraw/zinc/65/48/91/620654891.db2.gz YVHAJXUKNZWHBF-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)c2c1 ZINC000853586647 620712638 /nfs/dbraw/zinc/71/26/38/620712638.db2.gz VTJKDPBAAZVXIK-CABCVRRESA-N 1 0 313.397 3.022 20 10 DGCDRO COC(=O)NC1CC[NH+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000853625365 620716871 /nfs/dbraw/zinc/71/68/71/620716871.db2.gz RPGCXPZAHACDQA-UHFFFAOYSA-N 1 0 320.433 3.144 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccc2ccccc2c1O ZINC000806179460 617659439 /nfs/dbraw/zinc/65/94/39/617659439.db2.gz ROAMVXLVCJPJGW-WMLDXEAASA-N 1 0 322.408 3.367 20 10 DGCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(C)CCCC2)[NH+](C)C)cc1 ZINC000891251063 617760544 /nfs/dbraw/zinc/76/05/44/617760544.db2.gz CUWDIXXBVHFDGJ-QGZVFWFLSA-N 1 0 317.477 3.052 20 10 DGCDRO CN(C)c1ccc([C@H](CNC(=O)CCC2CCC2)[NH+](C)C)cc1 ZINC000891254505 617761158 /nfs/dbraw/zinc/76/11/58/617761158.db2.gz YLYYAFFCTQAOMB-SFHVURJKSA-N 1 0 317.477 3.052 20 10 DGCDRO COc1ccc(C[N@H+](C)CCc2ccccc2F)c(O)c1OC ZINC000891783735 617897723 /nfs/dbraw/zinc/89/77/23/617897723.db2.gz LQJBPDCJEDJGJG-UHFFFAOYSA-N 1 0 319.376 3.223 20 10 DGCDRO COc1ccc(C[N@H+](C)C2Cc3ccccc3C2)c(O)c1OC ZINC000891788074 617898740 /nfs/dbraw/zinc/89/87/40/617898740.db2.gz ZOWTWFZZPXCVBO-UHFFFAOYSA-N 1 0 313.397 3.009 20 10 DGCDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892008759 617943650 /nfs/dbraw/zinc/94/36/50/617943650.db2.gz VKWWNLUMFRGEJO-OAHLLOKOSA-N 1 0 323.433 3.191 20 10 DGCDRO COc1ccc(C[NH+]2CCc3ccccc3CC2)c(O)c1OC ZINC000892043439 617950394 /nfs/dbraw/zinc/95/03/94/617950394.db2.gz WMZLNBVCIQBRMJ-UHFFFAOYSA-N 1 0 313.397 3.010 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)c2ccccc2)c(O)c1OC ZINC000892437836 618066149 /nfs/dbraw/zinc/06/61/49/618066149.db2.gz SPDFDGOUJJKWDJ-ZDUSSCGKSA-N 1 0 301.386 3.303 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3c(C)noc3C)C2)cc1 ZINC000926680204 618086212 /nfs/dbraw/zinc/08/62/12/618086212.db2.gz KZWOGJUJYHFODS-DOMZBBRYSA-N 1 0 315.417 3.230 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CC1(F)F ZINC000840880827 618094668 /nfs/dbraw/zinc/09/46/68/618094668.db2.gz ZKYGBZDKZKVFNA-ZENOOKHLSA-N 1 0 310.388 3.218 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000840880818 618094775 /nfs/dbraw/zinc/09/47/75/618094775.db2.gz ZKYGBZDKZKVFNA-HEHGZKQESA-N 1 0 310.388 3.218 20 10 DGCDRO COc1ccc(C[NH2+]CCO[C@@H]2CCCC[C@@H]2C)c(O)c1OC ZINC000892580034 618111896 /nfs/dbraw/zinc/11/18/96/618111896.db2.gz YVVYQTFNSWATRS-DZGCQCFKSA-N 1 0 323.433 3.094 20 10 DGCDRO CCCSC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000892668633 618131226 /nfs/dbraw/zinc/13/12/26/618131226.db2.gz OZWQFKLDYGEBPM-OAHLLOKOSA-N 1 0 308.491 3.145 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(SC)cc2)c(O)c1OC ZINC000892673607 618132884 /nfs/dbraw/zinc/13/28/84/618132884.db2.gz HWWNREKDHZBMBH-UHFFFAOYSA-N 1 0 319.426 3.421 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(Cl)c1 ZINC000840887279 618132926 /nfs/dbraw/zinc/13/29/26/618132926.db2.gz VJOUXICHBVXXQH-JTQLQIEISA-N 1 0 322.758 3.080 20 10 DGCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000840889843 618144316 /nfs/dbraw/zinc/14/43/16/618144316.db2.gz IUXAXALYSRXJPA-CVEARBPZSA-N 1 0 317.477 3.241 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000155184600 620783301 /nfs/dbraw/zinc/78/33/01/620783301.db2.gz BKWBRAHZLLBZKI-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1O ZINC000155188645 620783933 /nfs/dbraw/zinc/78/39/33/620783933.db2.gz MFQQPYPVGGADHF-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)c(O)c1 ZINC000854222965 620785581 /nfs/dbraw/zinc/78/55/81/620785581.db2.gz PQQNJNXDSQAFCT-KFKAGJAMSA-N 1 0 310.441 3.497 20 10 DGCDRO Cc1cccn2c(C[N@@H+](C)Cc3ccc(N(C)C)cc3)cnc12 ZINC000155193549 620787679 /nfs/dbraw/zinc/78/76/79/620787679.db2.gz VCNLLLQUKPGHCP-UHFFFAOYSA-N 1 0 308.429 3.341 20 10 DGCDRO COC(=O)C1CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000840893989 618319380 /nfs/dbraw/zinc/31/93/80/618319380.db2.gz MJJZQNUAWVOAIG-SNAWJCMRSA-N 1 0 316.445 3.087 20 10 DGCDRO CCCN(Cc1ccc2oc(=O)oc2c1)c1ccc(C[NH3+])cc1 ZINC000894570318 618389500 /nfs/dbraw/zinc/38/95/00/618389500.db2.gz VJKCSDIHBMQYBI-UHFFFAOYSA-N 1 0 312.369 3.261 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1O ZINC000840896628 618404982 /nfs/dbraw/zinc/40/49/82/618404982.db2.gz JIVRHIGSBZXXPD-UKRRQHHQSA-N 1 0 300.377 3.461 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCC23CCOCC3)c1O ZINC000894667480 618417256 /nfs/dbraw/zinc/41/72/56/618417256.db2.gz NHEILTLTFYRWCM-MRXNPFEDSA-N 1 0 305.418 3.148 20 10 DGCDRO CCC(CC)(C[NH2+]Cc1ccc(OC)c(OC)c1O)SC ZINC000893094829 618422086 /nfs/dbraw/zinc/42/20/86/618422086.db2.gz QHCBQWLQBQBELF-UHFFFAOYSA-N 1 0 313.463 3.421 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894739206 618444775 /nfs/dbraw/zinc/44/47/75/618444775.db2.gz JXPZDFSYMWWOIQ-QGZVFWFLSA-N 1 0 315.413 3.095 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000894898709 618492762 /nfs/dbraw/zinc/49/27/62/618492762.db2.gz IJLLWLBLAZDWNE-ZBFHGGJFSA-N 1 0 307.434 3.250 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C2CCC(OC(F)F)CC2)c1O ZINC000894926680 618500578 /nfs/dbraw/zinc/50/05/78/618500578.db2.gz APUQREVGMOSHCM-UHFFFAOYSA-N 1 0 315.360 3.349 20 10 DGCDRO COc1ccccc1C1([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000895076628 618530605 /nfs/dbraw/zinc/53/06/05/618530605.db2.gz XXYXQRLTMKPRPK-UHFFFAOYSA-N 1 0 313.397 3.497 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000895177614 618566837 /nfs/dbraw/zinc/56/68/37/618566837.db2.gz GVGUPEOROOUSER-UHFFFAOYSA-N 1 0 301.386 3.262 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000895310381 618593003 /nfs/dbraw/zinc/59/30/03/618593003.db2.gz ODILLVZJBPVGBV-CQSZACIVSA-N 1 0 316.401 3.055 20 10 DGCDRO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935203 618610023 /nfs/dbraw/zinc/61/00/23/618610023.db2.gz IGFGMWKDFIAPFQ-INIZCTEOSA-N 1 0 304.459 3.254 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000840941740 618614527 /nfs/dbraw/zinc/61/45/27/618614527.db2.gz KAOGNFJIDBTEQS-SFHVURJKSA-N 1 0 314.477 3.324 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000218117605 618615569 /nfs/dbraw/zinc/61/55/69/618615569.db2.gz LELTVKGEEHJDLL-UHFFFAOYSA-N 1 0 321.465 3.147 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(CF)CCOCC2)c(Cl)c1 ZINC000840950497 618622254 /nfs/dbraw/zinc/62/22/54/618622254.db2.gz LAFDRXHPRIIQRJ-UHFFFAOYSA-N 1 0 301.789 3.210 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1ccccc1O ZINC000925853374 618646489 /nfs/dbraw/zinc/64/64/89/618646489.db2.gz INULGCWVLYLHKD-TZMCWYRMSA-N 1 0 302.340 3.117 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840975221 618651452 /nfs/dbraw/zinc/65/14/52/618651452.db2.gz DXURTAPQOVVFTF-HNNXBMFYSA-N 1 0 313.445 3.185 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000840978551 618653704 /nfs/dbraw/zinc/65/37/04/618653704.db2.gz SEYHQHPYEBUISS-OAHLLOKOSA-N 1 0 304.340 3.039 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000840978544 618653940 /nfs/dbraw/zinc/65/39/40/618653940.db2.gz SEYHQHPYEBUISS-HNNXBMFYSA-N 1 0 304.340 3.039 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3oc(=O)oc3c2)cc1 ZINC000893864780 618668430 /nfs/dbraw/zinc/66/84/30/618668430.db2.gz ZXALVGHVGNFFFB-UHFFFAOYSA-N 1 0 312.369 3.084 20 10 DGCDRO COc1cc(C)cc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1O ZINC000893995880 618689079 /nfs/dbraw/zinc/68/90/79/618689079.db2.gz VEKOJWFVVYKLCD-HNNXBMFYSA-N 1 0 315.413 3.092 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N(C)C)cc2)c1O ZINC000894160046 618721716 /nfs/dbraw/zinc/72/17/16/618721716.db2.gz KAOAZPYFXHUNFY-UHFFFAOYSA-N 1 0 300.402 3.065 20 10 DGCDRO COc1cc(C[NH2+]Cc2cc(C)cc(OC)c2O)ccc1C ZINC000894205669 618728632 /nfs/dbraw/zinc/72/86/32/618728632.db2.gz ALFQWQVPQAYPDZ-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)c1O ZINC000894259860 618743867 /nfs/dbraw/zinc/74/38/67/618743867.db2.gz ZNQZEEIJLZWSDR-SJKOYZFVSA-N 1 0 319.376 3.060 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C12CCC2 ZINC000894267606 618746393 /nfs/dbraw/zinc/74/63/93/618746393.db2.gz BAMJZJKHQFVESI-JKSUJKDBSA-N 1 0 305.418 3.147 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(O)c1OC ZINC000894277233 618749774 /nfs/dbraw/zinc/74/97/74/618749774.db2.gz GOTDLWWPEBHMPG-BTTYYORXSA-N 1 0 323.433 3.093 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000894325514 618764886 /nfs/dbraw/zinc/76/48/86/618764886.db2.gz JGPWIGUISQQZJC-SJCJKPOMSA-N 1 0 319.376 3.060 20 10 DGCDRO CCc1noc(CC)c1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894352489 618770667 /nfs/dbraw/zinc/77/06/67/618770667.db2.gz NYCXRMSQEUNRCM-UHFFFAOYSA-N 1 0 304.390 3.112 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000894366323 618772578 /nfs/dbraw/zinc/77/25/78/618772578.db2.gz LPTNLNJYJQMNLF-HOCLYGCPSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](O)c2cccs2)c1O ZINC000894370362 618773359 /nfs/dbraw/zinc/77/33/59/618773359.db2.gz JXOZDPJZQVWZQW-JSGCOSHPSA-N 1 0 321.442 3.373 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1O ZINC000895453369 618785138 /nfs/dbraw/zinc/78/51/38/618785138.db2.gz BZPGGTRAJAKNLZ-YOEHRIQHSA-N 1 0 305.418 3.004 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2cccc3c2CCOC3)c1O ZINC000895447057 618786012 /nfs/dbraw/zinc/78/60/12/618786012.db2.gz IQZKEOIHROZAIW-UHFFFAOYSA-N 1 0 313.397 3.072 20 10 DGCDRO CN(Cc1ccns1)Cc1c(O)cccc1Br ZINC000895452752 618786571 /nfs/dbraw/zinc/78/65/71/618786571.db2.gz UXTSCRVPDAZRQW-UHFFFAOYSA-N 1 0 313.220 3.243 20 10 DGCDRO CN(Cc1ccns1)Cc1ccc(Br)cc1O ZINC000895451687 618786798 /nfs/dbraw/zinc/78/67/98/618786798.db2.gz DFNUBGQBRCXQSX-UHFFFAOYSA-N 1 0 313.220 3.243 20 10 DGCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2O)[nH]c1C(C)C ZINC000895459429 618787074 /nfs/dbraw/zinc/78/70/74/618787074.db2.gz BYNZNTZVOJFDRO-LBPRGKRZSA-N 1 0 316.401 3.481 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c(O)c1OC ZINC000895514613 618794158 /nfs/dbraw/zinc/79/41/58/618794158.db2.gz VRMJTBDPMBYSBC-SNVBAGLBSA-N 1 0 320.216 3.083 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCN1c1cc[nH+]cc1 ZINC000895558287 618799116 /nfs/dbraw/zinc/79/91/16/618799116.db2.gz VDDJBKHPDIVMLA-CYBMUJFWSA-N 1 0 317.820 3.151 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c1 ZINC000895659160 618813197 /nfs/dbraw/zinc/81/31/97/618813197.db2.gz UHRMRHLOQLLXAV-SFHVURJKSA-N 1 0 315.413 3.393 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2CCc3c2cccc3F)cc1OC ZINC000895853840 618842665 /nfs/dbraw/zinc/84/26/65/618842665.db2.gz IJCVTUZIMVQSCF-HNNXBMFYSA-N 1 0 317.360 3.326 20 10 DGCDRO COC1(OC)CC2(C[N@H+](Cc3ccc(C)cc3O)[C@H]2C(C)C)C1 ZINC000895987291 618857592 /nfs/dbraw/zinc/85/75/92/618857592.db2.gz CFKIMGKUAGJWTC-KRWDZBQOSA-N 1 0 319.445 3.310 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@](C)(O)c2cccc(F)c2)c1O ZINC000896563679 618928834 /nfs/dbraw/zinc/92/88/34/618928834.db2.gz KUTCBBLHJCLYQA-SFHVURJKSA-N 1 0 303.377 3.091 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000896820759 618965106 /nfs/dbraw/zinc/96/51/06/618965106.db2.gz BIODCTUUFFAHPO-FZMZJTMJSA-N 1 0 303.324 3.290 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(=O)[nH]1 ZINC000897392865 619102799 /nfs/dbraw/zinc/10/27/99/619102799.db2.gz QRKAIXNLDCOBKV-UHFFFAOYSA-N 1 0 311.429 3.410 20 10 DGCDRO CC[C@@H]([NH2+]CCCONC(=O)OC(C)(C)C)c1ccccc1O ZINC000897426284 619111158 /nfs/dbraw/zinc/11/11/58/619111158.db2.gz PBKZQBZHOGMPDR-CQSZACIVSA-N 1 0 324.421 3.279 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c1O ZINC000897536500 619151023 /nfs/dbraw/zinc/15/10/23/619151023.db2.gz MAKYWMFOBGOSLL-FZMZJTMJSA-N 1 0 313.825 3.085 20 10 DGCDRO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(Cl)cc1O ZINC000841752826 619153635 /nfs/dbraw/zinc/15/36/35/619153635.db2.gz CKIVUSQEQAVYJQ-NSHDSACASA-N 1 0 305.809 3.357 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C2CC3(C2)COC(C)(C)C3)c1O ZINC000897969798 619196235 /nfs/dbraw/zinc/19/62/35/619196235.db2.gz BBSRAGXQRUMYAO-UHFFFAOYSA-N 1 0 305.418 3.147 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1F ZINC000898063338 619210142 /nfs/dbraw/zinc/21/01/42/619210142.db2.gz YSDZZSWWGVZVKA-SUMWQHHRSA-N 1 0 322.399 3.080 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)c1 ZINC000898065142 619210284 /nfs/dbraw/zinc/21/02/84/619210284.db2.gz RIUDSHWFKBFFJY-IIYDPXPESA-N 1 0 303.402 3.011 20 10 DGCDRO COc1cc(C[NH2+]CCc2ccc(N)cc2)ccc1OC(C)C ZINC000841037775 619211224 /nfs/dbraw/zinc/21/12/24/619211224.db2.gz XGJBJIKULQWLDD-UHFFFAOYSA-N 1 0 314.429 3.397 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC2(OC)CCCCCC2)cc1OC ZINC000898260646 619230029 /nfs/dbraw/zinc/23/00/29/619230029.db2.gz IEXYQHPPOSOBET-UHFFFAOYSA-N 1 0 323.433 3.238 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c(O)c(C(C)(C)C)c1 ZINC000898377224 619240644 /nfs/dbraw/zinc/24/06/44/619240644.db2.gz SQZBRKLVXSNSRZ-NVXWUHKLSA-N 1 0 319.445 3.213 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898385880 619269821 /nfs/dbraw/zinc/26/98/21/619269821.db2.gz GSUQDGHJUBDYIG-RTBURBONSA-N 1 0 300.446 3.192 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000898516511 619283498 /nfs/dbraw/zinc/28/34/98/619283498.db2.gz UECUEHYAWNPEML-NVXWUHKLSA-N 1 0 319.445 3.430 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccncc1 ZINC000901705732 619533763 /nfs/dbraw/zinc/53/37/63/619533763.db2.gz GBNXLRWFUPKRTE-BEFAXECRSA-N 1 0 312.461 3.101 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1cc(Cl)ccc1O ZINC000902435138 619635768 /nfs/dbraw/zinc/63/57/68/619635768.db2.gz AEGGTAZZGJDFKL-IGGJQXEISA-N 1 0 302.805 3.321 20 10 DGCDRO CC[C@@H]1c2ccccc2C[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000902666451 619662465 /nfs/dbraw/zinc/66/24/65/619662465.db2.gz PYJODNOCLBSDGL-SJLPKXTDSA-N 1 0 311.381 3.285 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902761376 619672107 /nfs/dbraw/zinc/67/21/07/619672107.db2.gz OXTDFCVXPPPGAQ-BCDXTJNWSA-N 1 0 300.446 3.192 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1ccc(N(C)C)cc1 ZINC000903062827 619708694 /nfs/dbraw/zinc/70/86/94/619708694.db2.gz XPEPAWJOHXAIOO-IAGOWNOFSA-N 1 0 315.465 3.319 20 10 DGCDRO CC[C@H]([NH2+][C@H](c1nncn1C)C(C)C)c1ccc(N(C)C)cc1 ZINC000903062828 619708723 /nfs/dbraw/zinc/70/87/23/619708723.db2.gz XPEPAWJOHXAIOO-IRXDYDNUSA-N 1 0 315.465 3.319 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2nncn2C)C(C)C)c(O)c1C ZINC000903066259 619709492 /nfs/dbraw/zinc/70/94/92/619709492.db2.gz UKXRECYOGSGZJX-HIFRSBDPSA-N 1 0 302.422 3.185 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c1O ZINC000903176419 619730133 /nfs/dbraw/zinc/73/01/33/619730133.db2.gz OSKOACWASKDMMT-CWSCBRNRSA-N 1 0 319.323 3.161 20 10 DGCDRO C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1cc(F)ccc1O ZINC000903240496 619743006 /nfs/dbraw/zinc/74/30/06/619743006.db2.gz SORNDAZCNYMRMX-LBPRGKRZSA-N 1 0 303.381 3.379 20 10 DGCDRO CC[C@H]([NH2+]Cc1cnn(CCF)c1)c1cccc(Cl)c1[O-] ZINC000903274452 619750501 /nfs/dbraw/zinc/75/05/01/619750501.db2.gz MTOILEBTNJCEHU-AWEZNQCLSA-N 1 0 311.788 3.453 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cc(F)ccc1O ZINC000903292869 619752141 /nfs/dbraw/zinc/75/21/41/619752141.db2.gz NAPDHLYOWOSLLT-XJKSGUPXSA-N 1 0 303.377 3.176 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(OC)CCSC2)cc1 ZINC000903309486 619757116 /nfs/dbraw/zinc/75/71/16/619757116.db2.gz FCSLMQQQTUDWDJ-RHSMWYFYSA-N 1 0 308.491 3.315 20 10 DGCDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)CCSC1 ZINC000903314382 619758435 /nfs/dbraw/zinc/75/84/35/619758435.db2.gz MTEAMWQAPOSPSV-HZMBPMFUSA-N 1 0 301.839 3.218 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1 ZINC000903340475 619760205 /nfs/dbraw/zinc/76/02/05/619760205.db2.gz IBCGQLHJRCQRNP-SNVBAGLBSA-N 1 0 313.323 3.304 20 10 DGCDRO CC[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000903352246 619763542 /nfs/dbraw/zinc/76/35/42/619763542.db2.gz CCVJWUASWAGISG-QWHCGFSZSA-N 1 0 323.433 3.419 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(OC(C)C)CCOC2)c(O)c1C ZINC000903356357 619764274 /nfs/dbraw/zinc/76/42/74/619764274.db2.gz CAHGGJOTURQJPG-YJBOKZPZSA-N 1 0 307.434 3.244 20 10 DGCDRO CC(C)O[C@]1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CCOC1 ZINC000903357237 619764662 /nfs/dbraw/zinc/76/46/62/619764662.db2.gz LJLUCJYYOZYPSL-YEWDVWPNSA-N 1 0 323.408 3.253 20 10 DGCDRO CC(C)O[C@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CCOC1 ZINC000903357537 619764765 /nfs/dbraw/zinc/76/47/65/619764765.db2.gz NAKYOWLKZLQSML-WBMJQRKESA-N 1 0 313.825 3.280 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(OC(C)C)CCOC2)cc1 ZINC000903359589 619765152 /nfs/dbraw/zinc/76/51/52/619765152.db2.gz DPPBWRYBRSVLKJ-LPHOPBHVSA-N 1 0 320.477 3.377 20 10 DGCDRO C[NH+](C)CC[C@H](N[C@@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000903381371 619768756 /nfs/dbraw/zinc/76/87/56/619768756.db2.gz WBCQKNTVVGNJGZ-DLBZAZTESA-N 1 0 311.429 3.057 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000903406452 619771575 /nfs/dbraw/zinc/77/15/75/619771575.db2.gz VOIOXWSWBVGNGK-HNAYVOBHSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)c2c1c(F)ccc2O ZINC000903441155 619775731 /nfs/dbraw/zinc/77/57/31/619775731.db2.gz YGNKJFQXSIWOHS-VGQSVSGKSA-N 1 0 313.372 3.328 20 10 DGCDRO CC[C@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(Cl)ccc1O ZINC000903420371 619776300 /nfs/dbraw/zinc/77/63/00/619776300.db2.gz NXMPKVWWAXUXGM-AWEZNQCLSA-N 1 0 321.808 3.013 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccoc1 ZINC000903447807 619778188 /nfs/dbraw/zinc/77/81/88/619778188.db2.gz CUSWTTZTYJQYQK-KDOFPFPSSA-N 1 0 301.434 3.299 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416526 619921043 /nfs/dbraw/zinc/92/10/43/619921043.db2.gz NPSPZTIIOMWALC-CQSZACIVSA-N 1 0 306.425 3.133 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)c1O ZINC000905705027 620019229 /nfs/dbraw/zinc/01/92/29/620019229.db2.gz JXTBQLRIYGASKZ-LBPRGKRZSA-N 1 0 321.364 3.189 20 10 DGCDRO CCCCCNC(=O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000153020675 620531294 /nfs/dbraw/zinc/53/12/94/620531294.db2.gz IPHUBQKZBXIPTE-UHFFFAOYSA-N 1 0 318.461 3.219 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc(N(CC)CC)cc1)N1CCCC1 ZINC000915228213 620575186 /nfs/dbraw/zinc/57/51/86/620575186.db2.gz IVUKRVOLNQAHEI-SFHVURJKSA-N 1 0 303.494 3.497 20 10 DGCDRO Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000153696111 620594659 /nfs/dbraw/zinc/59/46/59/620594659.db2.gz RORIMBSSFZJUIU-GOSISDBHSA-N 1 0 312.413 3.277 20 10 DGCDRO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)ccc1N1CCCCC1 ZINC000852558047 620629082 /nfs/dbraw/zinc/62/90/82/620629082.db2.gz FDYPDFCUUPOCAH-VQIMIIECSA-N 1 0 302.462 3.331 20 10 DGCDRO FCCn1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000921619812 620915974 /nfs/dbraw/zinc/91/59/74/620915974.db2.gz PPFUAYNTUOXJIL-UHFFFAOYSA-N 1 0 316.424 3.133 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000921748566 620944058 /nfs/dbraw/zinc/94/40/58/620944058.db2.gz XZDJWVVQHINNEU-BPQIPLTHSA-N 1 0 302.462 3.356 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccsc1 ZINC000921770284 620947203 /nfs/dbraw/zinc/94/72/03/620947203.db2.gz LHTNHSCQOXZCTD-QGZVFWFLSA-N 1 0 303.427 3.070 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H](C1CC1)C1CCOCC1)CCCO2 ZINC000922218240 621007682 /nfs/dbraw/zinc/00/76/82/621007682.db2.gz YUEQXQDMRCGQKK-IBGZPJMESA-N 1 0 301.430 3.306 20 10 DGCDRO O=c1[nH]c2cc(C[NH2+]Cc3ccc4c(c3)CCCO4)ccc2o1 ZINC000922323101 621024574 /nfs/dbraw/zinc/02/45/74/621024574.db2.gz KIWPBZLYQNSLSP-UHFFFAOYSA-N 1 0 310.353 3.148 20 10 DGCDRO CCCC[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000856994432 621042950 /nfs/dbraw/zinc/04/29/50/621042950.db2.gz MUVIMUVWCFZJSF-ROUUACIJSA-N 1 0 319.493 3.331 20 10 DGCDRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCc3ccccc3O)c2)C1 ZINC000857094147 621057656 /nfs/dbraw/zinc/05/76/56/621057656.db2.gz UENNUCOZENVDOC-GOSISDBHSA-N 1 0 324.424 3.131 20 10 DGCDRO C[NH+](C)CC[C@@H](NCc1c(O)cccc1Cl)c1cccnc1 ZINC000922627336 621069758 /nfs/dbraw/zinc/06/97/58/621069758.db2.gz IGSYVONPOPOHQN-MRXNPFEDSA-N 1 0 319.836 3.223 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000922679850 621077114 /nfs/dbraw/zinc/07/71/14/621077114.db2.gz SATMMRTXRBHMDS-GXTWGEPZSA-N 1 0 303.324 3.290 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2CC3(C2)OCCO3)cc1C ZINC000922802623 621101274 /nfs/dbraw/zinc/10/12/74/621101274.db2.gz OGCNQBWDVKYNPQ-UHFFFAOYSA-N 1 0 305.418 3.027 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000115629220 621119149 /nfs/dbraw/zinc/11/91/49/621119149.db2.gz ZMMRELGZKOOHEH-UHFFFAOYSA-N 1 0 311.429 3.309 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)c(O)c1 ZINC000857875346 621126611 /nfs/dbraw/zinc/12/66/11/621126611.db2.gz KVWGWWHCVGDWNU-FZKQIMNGSA-N 1 0 310.397 3.065 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)CCCO2 ZINC000922901293 621129210 /nfs/dbraw/zinc/12/92/10/621129210.db2.gz OREUFKNAEMPLKF-PKOBYXMFSA-N 1 0 301.430 3.306 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC3CCC=CCC3)cc2)CC1 ZINC000922966025 621138650 /nfs/dbraw/zinc/13/86/50/621138650.db2.gz HSCSZOGJDFAKPK-UHFFFAOYSA-N 1 0 314.473 3.484 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013757 621145708 /nfs/dbraw/zinc/14/57/08/621145708.db2.gz FJSZZFWYDUDSDW-KRWDZBQOSA-N 1 0 310.397 3.318 20 10 DGCDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858126287 621155708 /nfs/dbraw/zinc/15/57/08/621155708.db2.gz XNUQJSOWFOJEQB-LBPRGKRZSA-N 1 0 320.383 3.457 20 10 DGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858127766 621155910 /nfs/dbraw/zinc/15/59/10/621155910.db2.gz PQYNGBUXIRYSIR-GFCCVEGCSA-N 1 0 320.383 3.457 20 10 DGCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858146920 621158058 /nfs/dbraw/zinc/15/80/58/621158058.db2.gz CVOFTFYPRQTLRV-NEPJUHHUSA-N 1 0 300.418 3.405 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccccc1 ZINC000858164686 621160640 /nfs/dbraw/zinc/16/06/40/621160640.db2.gz CTMRTTUJJPIHQX-KZULUSFZSA-N 1 0 320.383 3.243 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccccc1 ZINC000858164688 621160720 /nfs/dbraw/zinc/16/07/20/621160720.db2.gz CTMRTTUJJPIHQX-XIKOKIGWSA-N 1 0 320.383 3.243 20 10 DGCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858185997 621162567 /nfs/dbraw/zinc/16/25/67/621162567.db2.gz NPHOFBUEDUBPPA-LBPRGKRZSA-N 1 0 305.372 3.147 20 10 DGCDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)ccc1O ZINC000858236952 621166599 /nfs/dbraw/zinc/16/65/99/621166599.db2.gz BLGPNJPRXQCNEF-UHFFFAOYSA-N 1 0 316.357 3.297 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)c1 ZINC000858237082 621166718 /nfs/dbraw/zinc/16/67/18/621166718.db2.gz DYNHKFRUMOETRZ-OAHLLOKOSA-N 1 0 304.415 3.298 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCN2CC(F)F)cc1 ZINC000858231745 621166804 /nfs/dbraw/zinc/16/68/04/621166804.db2.gz PJQXBXKGUXNOFT-RCFWFJCLSA-N 1 0 323.431 3.085 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)c1 ZINC000858237081 621166832 /nfs/dbraw/zinc/16/68/32/621166832.db2.gz DYNHKFRUMOETRZ-HNNXBMFYSA-N 1 0 304.415 3.298 20 10 DGCDRO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000858238952 621167267 /nfs/dbraw/zinc/16/72/67/621167267.db2.gz FRVUVDDLBOCKIF-OAHLLOKOSA-N 1 0 315.413 3.404 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000858328205 621176102 /nfs/dbraw/zinc/17/61/02/621176102.db2.gz LLLMUIGWZBUODX-OAHLLOKOSA-N 1 0 320.433 3.108 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1N(C)C ZINC000923327620 621176598 /nfs/dbraw/zinc/17/65/98/621176598.db2.gz DWEFTRFJKUNNKB-QZTJIDSGSA-N 1 0 301.478 3.025 20 10 DGCDRO Cc1cc(C[N@@H+]2CCOc3cc(N)ccc3C2)ccc1N(C)C ZINC000923417846 621181817 /nfs/dbraw/zinc/18/18/17/621181817.db2.gz YNYIEMYLSXXPEZ-UHFFFAOYSA-N 1 0 311.429 3.038 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)c1O ZINC000858464170 621194212 /nfs/dbraw/zinc/19/42/12/621194212.db2.gz ILCFFLXMAUIIMK-HOCLYGCPSA-N 1 0 318.461 3.458 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CC=C(C(=O)OC)C2)cc1 ZINC000858471953 621195168 /nfs/dbraw/zinc/19/51/68/621195168.db2.gz FKOCRIVBTIIVFQ-CZUORRHYSA-N 1 0 302.418 3.055 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000858539869 621203023 /nfs/dbraw/zinc/20/30/23/621203023.db2.gz OMHRAGZNZVZTQC-HNNXBMFYSA-N 1 0 317.477 3.052 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858602558 621209002 /nfs/dbraw/zinc/20/90/02/621209002.db2.gz BVOKXQAFTZPJOO-NHYWBVRUSA-N 1 0 322.836 3.158 20 10 DGCDRO COC(=O)CCCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000859060267 621243775 /nfs/dbraw/zinc/24/37/75/621243775.db2.gz PTBWBHQBNRXAHZ-UHFFFAOYSA-N 1 0 318.461 3.452 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@H]1SC ZINC000838947009 621301983 /nfs/dbraw/zinc/30/19/83/621301983.db2.gz BGGTYRQEZGOYFG-GVDBMIGSSA-N 1 0 308.491 3.060 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1O ZINC000121354264 621313147 /nfs/dbraw/zinc/31/31/47/621313147.db2.gz ASSSRWSCASHCBL-UHFFFAOYSA-N 1 0 323.396 3.219 20 10 DGCDRO CC1(C)CC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000839145250 621332480 /nfs/dbraw/zinc/33/24/80/621332480.db2.gz OUBDWCVXGVBKQA-UHFFFAOYSA-N 1 0 310.388 3.080 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CCC1 ZINC000839145162 621332500 /nfs/dbraw/zinc/33/25/00/621332500.db2.gz MPDOCEBIRHXKGU-LBPRGKRZSA-N 1 0 310.388 3.080 20 10 DGCDRO C[NH+](C)CCOc1ccc(NCc2cc(F)ccc2O)cc1F ZINC000839189119 621345821 /nfs/dbraw/zinc/34/58/21/621345821.db2.gz ADPFGXMMRDRBMX-UHFFFAOYSA-N 1 0 322.355 3.223 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)c(O)c1 ZINC000839191818 621346694 /nfs/dbraw/zinc/34/66/94/621346694.db2.gz KCINWTXROVEREV-CVEARBPZSA-N 1 0 307.434 3.473 20 10 DGCDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000839162336 621348604 /nfs/dbraw/zinc/34/86/04/621348604.db2.gz AEPRONAIKASHMH-NVXWUHKLSA-N 1 0 306.425 3.187 20 10 DGCDRO COC(=O)C1C[C@H](C)[NH+](Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000860189863 621379057 /nfs/dbraw/zinc/37/90/57/621379057.db2.gz MOFXPKJUPSSTBM-GJZGRUSLSA-N 1 0 318.461 3.223 20 10 DGCDRO CC(C)(C)C(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000753747638 621463255 /nfs/dbraw/zinc/46/32/55/621463255.db2.gz LEKIAJQNHZSEFW-INIZCTEOSA-N 1 0 319.445 3.379 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000753807686 621466234 /nfs/dbraw/zinc/46/62/34/621466234.db2.gz XLOCXJUEVQVIQJ-OAHLLOKOSA-N 1 0 319.493 3.268 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000753966752 621475510 /nfs/dbraw/zinc/47/55/10/621475510.db2.gz ITCLFCWYIMWBAC-GOSISDBHSA-N 1 0 324.468 3.492 20 10 DGCDRO CC[N@H+](CCc1nccs1)Cc1c(O)ccc2ccncc21 ZINC000753982842 621476480 /nfs/dbraw/zinc/47/64/80/621476480.db2.gz OFQKZVLLMMOLLY-UHFFFAOYSA-N 1 0 313.426 3.462 20 10 DGCDRO C[C@H](Cc1ccoc1)[NH2+]Cc1cc(Br)ccc1O ZINC000754048836 621482632 /nfs/dbraw/zinc/48/26/32/621482632.db2.gz YMUAADRSFMPPRV-SNVBAGLBSA-N 1 0 310.191 3.469 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC2OCCCO2)cc1 ZINC000754643265 621522020 /nfs/dbraw/zinc/52/20/20/621522020.db2.gz UCLQYQKPESTHJB-UHFFFAOYSA-N 1 0 306.450 3.118 20 10 DGCDRO COC[C@@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000754739845 621530069 /nfs/dbraw/zinc/53/00/69/621530069.db2.gz CIFBDQMIQNNMOC-CYBMUJFWSA-N 1 0 307.434 3.167 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1O ZINC000754803135 621533821 /nfs/dbraw/zinc/53/38/21/621533821.db2.gz QGEIMHJAFSINKT-LLVKDONJSA-N 1 0 319.380 3.362 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(N(C)C)cc1)CCC(F)(F)F ZINC000755218989 621559039 /nfs/dbraw/zinc/55/90/39/621559039.db2.gz BVNCIYZGKIVJRD-UHFFFAOYSA-N 1 0 317.399 3.117 20 10 DGCDRO CC[N@@H+](Cc1c(O)cccc1Br)C[C@@H]1CCOC1 ZINC000862224486 621563889 /nfs/dbraw/zinc/56/38/89/621563889.db2.gz XTVBQYPTQOTJBJ-NSHDSACASA-N 1 0 314.223 3.013 20 10 DGCDRO CCC[N@H+](Cc1cc(F)c(N(C)C)cc1F)CC(C)(C)O ZINC000862238706 621565325 /nfs/dbraw/zinc/56/53/25/621565325.db2.gz GQTWCSQBKGJIKX-UHFFFAOYSA-N 1 0 300.393 3.014 20 10 DGCDRO CN(C)c1cc(F)c(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1F ZINC000862246846 621567344 /nfs/dbraw/zinc/56/73/44/621567344.db2.gz VAFZLIDJXXSKEU-UHFFFAOYSA-N 1 0 320.387 3.134 20 10 DGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862333124 621574752 /nfs/dbraw/zinc/57/47/52/621574752.db2.gz NTXQBHVZVOLOID-QGZVFWFLSA-N 1 0 312.404 3.015 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2N(C)C)c(O)c1 ZINC000862353763 621576744 /nfs/dbraw/zinc/57/67/44/621576744.db2.gz ZMWURJHJXKVFKJ-UHFFFAOYSA-N 1 0 322.355 3.035 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1F ZINC000862359289 621577787 /nfs/dbraw/zinc/57/77/87/621577787.db2.gz HZZGSBFIGKCZAF-QGZVFWFLSA-N 1 0 310.388 3.033 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1F ZINC000862360257 621578183 /nfs/dbraw/zinc/57/81/83/621578183.db2.gz YWSWAUDSBQZJKU-DOTOQJQBSA-N 1 0 310.388 3.174 20 10 DGCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862366016 621579503 /nfs/dbraw/zinc/57/95/03/621579503.db2.gz AJFUAOWMAAQBQO-CXAGYDPISA-N 1 0 323.431 3.089 20 10 DGCDRO COc1cc(O)c(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1OC ZINC000862445027 621591037 /nfs/dbraw/zinc/59/10/37/621591037.db2.gz ZZHDRXHDFFYINL-QWRGUYRKSA-N 1 0 315.360 3.133 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000862477094 621593333 /nfs/dbraw/zinc/59/33/33/621593333.db2.gz BYZUXUYJGOOOPN-UHFFFAOYSA-N 1 0 320.433 3.095 20 10 DGCDRO COc1cc(C[N@H+](C)CC2(C)COC2)c(O)c(C(C)(C)C)c1 ZINC000862479500 621593582 /nfs/dbraw/zinc/59/35/82/621593582.db2.gz QJXWITCXZRGPFT-UHFFFAOYSA-N 1 0 307.434 3.167 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000862489059 621595702 /nfs/dbraw/zinc/59/57/02/621595702.db2.gz YLALQAYUBHQHOT-INIZCTEOSA-N 1 0 311.381 3.287 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC2(CC2)CC1 ZINC000862539944 621598521 /nfs/dbraw/zinc/59/85/21/621598521.db2.gz YXFZDDOHHSHBRZ-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO Cc1ccc(O)c(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000862758890 621614303 /nfs/dbraw/zinc/61/43/03/621614303.db2.gz PJUKBIXMLNCSEC-UHFFFAOYSA-N 1 0 324.424 3.226 20 10 DGCDRO Oc1ccccc1CN(CC[NH+]1CCCCC1)Cc1ccco1 ZINC000756327749 621628166 /nfs/dbraw/zinc/62/81/66/621628166.db2.gz QJNJHXHQFNJSCR-UHFFFAOYSA-N 1 0 314.429 3.473 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c(O)c1C ZINC000756355680 621630437 /nfs/dbraw/zinc/63/04/37/621630437.db2.gz QSJMBVNHCZRHFQ-SJORKVTESA-N 1 0 320.477 3.016 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000756380248 621633359 /nfs/dbraw/zinc/63/33/59/621633359.db2.gz FQGRODMLDPITKY-MFKMUULPSA-N 1 0 302.349 3.273 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cc(Cl)ccc1O ZINC000756399013 621635581 /nfs/dbraw/zinc/63/55/81/621635581.db2.gz LVLVFYLNTBWGMC-LLVKDONJSA-N 1 0 322.836 3.097 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC)cc(OC)c2)c1 ZINC000756420100 621637308 /nfs/dbraw/zinc/63/73/08/621637308.db2.gz BGPCQXKBADZBPM-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756431623 621638199 /nfs/dbraw/zinc/63/81/99/621638199.db2.gz CQAWYVQPOOGYLZ-LLVKDONJSA-N 1 0 310.388 3.195 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCCC2)c2c1c(F)ccc2O ZINC000756433737 621638213 /nfs/dbraw/zinc/63/82/13/621638213.db2.gz YGYRENBFOGVUJQ-OCCSQVGLSA-N 1 0 320.408 3.072 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cc(F)ccc1O ZINC000756457849 621639406 /nfs/dbraw/zinc/63/94/06/621639406.db2.gz RRSMEYXDMPCEFP-STQMWFEESA-N 1 0 301.361 3.433 20 10 DGCDRO CCN(CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000756527264 621645000 /nfs/dbraw/zinc/64/50/00/621645000.db2.gz XOUUZNGBMYHILL-CQSZACIVSA-N 1 0 302.462 3.406 20 10 DGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756537080 621645722 /nfs/dbraw/zinc/64/57/22/621645722.db2.gz ZTFNCEFKNIIUOV-BHDSKKPTSA-N 1 0 303.381 3.472 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c(O)c1 ZINC000756538660 621645734 /nfs/dbraw/zinc/64/57/34/621645734.db2.gz DPKNOQIXCNCTDD-NSHDSACASA-N 1 0 313.323 3.310 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756546348 621646644 /nfs/dbraw/zinc/64/66/44/621646644.db2.gz OWFDCATVSIKMCA-STQMWFEESA-N 1 0 312.404 3.441 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000756552482 621647280 /nfs/dbraw/zinc/64/72/80/621647280.db2.gz MGIJRFOAYIGCQI-ZNMIVQPWSA-N 1 0 306.450 3.314 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)c2c1c(F)ccc2O ZINC000756554286 621647947 /nfs/dbraw/zinc/64/79/47/621647947.db2.gz ORSBCTBJVGACRU-KYOSRNDESA-N 1 0 304.409 3.154 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cc(F)ccc1O ZINC000756561605 621649249 /nfs/dbraw/zinc/64/92/49/621649249.db2.gz FQOAMSYGNNAMGC-BFUOFWGJSA-N 1 0 315.388 3.406 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)Cc3ccccc3C2)c(O)c1 ZINC000756596885 621651554 /nfs/dbraw/zinc/65/15/54/621651554.db2.gz IFDWVKSPNJUDBL-MRXNPFEDSA-N 1 0 324.468 3.450 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)c2c1c(F)ccc2O ZINC000756632995 621654582 /nfs/dbraw/zinc/65/45/82/621654582.db2.gz GKGHMPKXOXYLFR-IVMMDQJWSA-N 1 0 315.388 3.445 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000756646224 621655726 /nfs/dbraw/zinc/65/57/26/621655726.db2.gz JQSQWIQDCZLBMY-CKFHNAJUSA-N 1 0 314.473 3.404 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)c(O)c1 ZINC000756659201 621656747 /nfs/dbraw/zinc/65/67/47/621656747.db2.gz PKMLKTTUHGTPDG-LLVKDONJSA-N 1 0 313.323 3.310 20 10 DGCDRO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(F)ccc1O ZINC000756661156 621657247 /nfs/dbraw/zinc/65/72/47/621657247.db2.gz YSAVYESOIZPDKF-VIFPVBQESA-N 1 0 317.286 3.141 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c1 ZINC000756711475 621659800 /nfs/dbraw/zinc/65/98/00/621659800.db2.gz LCWXJEPPUDWCLD-GLJUWKHASA-N 1 0 315.413 3.216 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(-n3cccn3)c2)c1 ZINC000756714060 621659839 /nfs/dbraw/zinc/65/98/39/621659839.db2.gz XYEBMNNQARGSTN-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2O ZINC000756736443 621661748 /nfs/dbraw/zinc/66/17/48/621661748.db2.gz NWIMQEAFIMBAJS-MDZLAQPJSA-N 1 0 320.408 3.069 20 10 DGCDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756738792 621661949 /nfs/dbraw/zinc/66/19/49/621661949.db2.gz LFZQOLLFSOBVSF-JQWIXIFHSA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000756762562 621662749 /nfs/dbraw/zinc/66/27/49/621662749.db2.gz PJHJIOGDZBEECP-WMLDXEAASA-N 1 0 316.445 3.285 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)c2c1c(F)ccc2O ZINC000756788879 621664974 /nfs/dbraw/zinc/66/49/74/621664974.db2.gz FVWAVODJYRPWPN-WBMJQRKESA-N 1 0 315.388 3.404 20 10 DGCDRO CO[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(F)(F)F ZINC000756835118 621667040 /nfs/dbraw/zinc/66/70/40/621667040.db2.gz MTYWDSQPRBUXOH-BCMRRPTOSA-N 1 0 307.287 3.247 20 10 DGCDRO COc1ccc(O)c([C@@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000756867895 621669367 /nfs/dbraw/zinc/66/93/67/621669367.db2.gz NBLUGQXAXGCDSA-GFCCVEGCSA-N 1 0 310.357 3.155 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000756887130 621670330 /nfs/dbraw/zinc/67/03/30/621670330.db2.gz MWMNGURSNYHQMX-CJNGLKHVSA-N 1 0 319.445 3.396 20 10 DGCDRO OC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756994737 621677872 /nfs/dbraw/zinc/67/78/72/621677872.db2.gz YXQGPFUBRKWANL-CQSZACIVSA-N 1 0 316.367 3.080 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)CCCC2 ZINC000789500067 625512282 /nfs/dbraw/zinc/51/22/82/625512282.db2.gz BZPDCUJLXWFVAS-HKUYNNGSSA-N 1 0 301.430 3.414 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000839637102 621706511 /nfs/dbraw/zinc/70/65/11/621706511.db2.gz VFVNIJGLKBZPPH-PMACEKPBSA-N 1 0 310.441 3.451 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)cc1F ZINC000864053620 621732614 /nfs/dbraw/zinc/73/26/14/621732614.db2.gz XPDMBGJWYGBZGY-MSOLQXFVSA-N 1 0 324.415 3.468 20 10 DGCDRO Oc1ccccc1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000014966722 621738099 /nfs/dbraw/zinc/73/80/99/621738099.db2.gz SSTXMWYCLCWGFL-OAHLLOKOSA-N 1 0 311.303 3.234 20 10 DGCDRO Cc1c(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)cnn1C ZINC000758550569 621788570 /nfs/dbraw/zinc/78/85/70/621788570.db2.gz XQYPUPOKJFIFDU-UHFFFAOYSA-N 1 0 307.397 3.391 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCCOC3)CCCC2 ZINC000789543667 625521377 /nfs/dbraw/zinc/52/13/77/625521377.db2.gz WIUVSHGPIKDWMN-LJQANCHMSA-N 1 0 301.430 3.274 20 10 DGCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000759753090 621887836 /nfs/dbraw/zinc/88/78/36/621887836.db2.gz CPVWUFHYESNDOZ-LJQANCHMSA-N 1 0 319.445 3.383 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cnc(Cl)c(F)c2)cc1F ZINC000865437168 621921150 /nfs/dbraw/zinc/92/11/50/621921150.db2.gz BRDAMLUJWBXKAR-UHFFFAOYSA-N 1 0 311.763 3.369 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c(O)c1 ZINC000865650078 621971018 /nfs/dbraw/zinc/97/10/18/621971018.db2.gz BSOCGPLSUAEDAV-MJGOQNOKSA-N 1 0 313.397 3.411 20 10 DGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000760885977 621971715 /nfs/dbraw/zinc/97/17/15/621971715.db2.gz NDBOGARNYHFYPH-XVGQJIODSA-N 1 0 319.445 3.116 20 10 DGCDRO OCC[C@@H]([NH2+]Cc1ccccc1O)c1ccc(Cl)c(F)c1 ZINC000865653595 621971986 /nfs/dbraw/zinc/97/19/86/621971986.db2.gz HLPCIWNYYWDPKV-OAHLLOKOSA-N 1 0 309.768 3.398 20 10 DGCDRO C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)CC1(C)OCCO1 ZINC000865672398 621975787 /nfs/dbraw/zinc/97/57/87/621975787.db2.gz JJSRSOFERDORKO-KJPDOMRESA-N 1 0 318.461 3.145 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC[C@@H](O)C(F)F ZINC000865688646 621977821 /nfs/dbraw/zinc/97/78/21/621977821.db2.gz IZJUMGPYIVEKSZ-MRXNPFEDSA-N 1 0 307.340 3.165 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c1O ZINC000865735342 621985981 /nfs/dbraw/zinc/98/59/81/621985981.db2.gz KMGGWXIYTKADJM-WBVHZDCISA-N 1 0 305.418 3.228 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000865735789 621986079 /nfs/dbraw/zinc/98/60/79/621986079.db2.gz XXYKBSFYXDBGEE-MSOLQXFVSA-N 1 0 305.418 3.228 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c(O)c1 ZINC000865736120 621986507 /nfs/dbraw/zinc/98/65/07/621986507.db2.gz GGNFRQUWFZELHJ-ROUUACIJSA-N 1 0 305.418 3.228 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865755544 621989175 /nfs/dbraw/zinc/98/91/75/621989175.db2.gz ZHHBCMZZCHTWQE-VXNVDRBHSA-N 1 0 310.113 3.195 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)c2ccncc2)c1O ZINC000761206542 621994274 /nfs/dbraw/zinc/99/42/74/621994274.db2.gz JUVDFKNMDIRMBH-LLVKDONJSA-N 1 0 306.793 3.343 20 10 DGCDRO CN(Cc1ccc2c[nH]nc2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221913 621995406 /nfs/dbraw/zinc/99/54/06/621995406.db2.gz GGVPEYVCPVZPPI-UHFFFAOYSA-N 1 0 324.428 3.140 20 10 DGCDRO COc1cccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c1O ZINC000762462579 622077281 /nfs/dbraw/zinc/07/72/81/622077281.db2.gz XAHGCFYTYYJIKM-UHFFFAOYSA-N 1 0 307.434 3.474 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000762612190 622086729 /nfs/dbraw/zinc/08/67/29/622086729.db2.gz CXCPGSFRCPLDJL-BZUAXINKSA-N 1 0 308.516 3.222 20 10 DGCDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000866414651 622114409 /nfs/dbraw/zinc/11/44/09/622114409.db2.gz JINAAGQFLUMLME-JQWIXIFHSA-N 1 0 316.239 3.356 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1ccccc1O ZINC000866464276 622122674 /nfs/dbraw/zinc/12/26/74/622122674.db2.gz VEEULWQXBIKOCU-XBFCOCLRSA-N 1 0 305.340 3.381 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c1O ZINC000866491245 622126595 /nfs/dbraw/zinc/12/65/95/622126595.db2.gz OKYUQPXXNCFMNY-YLQAJVPDSA-N 1 0 305.418 3.399 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1O ZINC000763477167 622147730 /nfs/dbraw/zinc/14/77/30/622147730.db2.gz DGVWCWVCBDBEFQ-CQSZACIVSA-N 1 0 303.789 3.317 20 10 DGCDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000763496003 622148156 /nfs/dbraw/zinc/14/81/56/622148156.db2.gz LVOFAGIDZAIPNX-SFHVURJKSA-N 1 0 315.413 3.226 20 10 DGCDRO CC[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(N(C)C)cc1 ZINC000765258382 622254923 /nfs/dbraw/zinc/25/49/23/622254923.db2.gz LAQUTEBGJCCTIF-GOSISDBHSA-N 1 0 300.450 3.470 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765393505 622262721 /nfs/dbraw/zinc/26/27/21/622262721.db2.gz KLYXMJVMCDJXQX-ZIAGYGMSSA-N 1 0 306.425 3.359 20 10 DGCDRO Cc1cc(C)cc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)c1 ZINC000766090128 622304985 /nfs/dbraw/zinc/30/49/85/622304985.db2.gz HWRGXTVJHAJQTN-SFHVURJKSA-N 1 0 313.397 3.067 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)cc1 ZINC000766438406 622329561 /nfs/dbraw/zinc/32/95/61/622329561.db2.gz LEFNUDOJFFBEFW-MAUKXSAKSA-N 1 0 321.534 3.231 20 10 DGCDRO CC[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000766440728 622330077 /nfs/dbraw/zinc/33/00/77/622330077.db2.gz YVBYIWHYBJKHKQ-ROUUACIJSA-N 1 0 321.534 3.231 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@H](OC)C3(C)C)CC2)cc1 ZINC000766526919 622336645 /nfs/dbraw/zinc/33/66/45/622336645.db2.gz FLGCZBVSIWQFRQ-ZWKOTPCHSA-N 1 0 318.461 3.067 20 10 DGCDRO C[C@H]([NH2+]CCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000766525860 622336706 /nfs/dbraw/zinc/33/67/06/622336706.db2.gz CQHSVPFATGAAGT-LBPRGKRZSA-N 1 0 302.340 3.126 20 10 DGCDRO C[C@@H]([NH2+]CCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000766525694 622336828 /nfs/dbraw/zinc/33/68/28/622336828.db2.gz APFPCOLSUPQZRA-LLVKDONJSA-N 1 0 320.330 3.265 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c(O)c1 ZINC000767196972 622381950 /nfs/dbraw/zinc/38/19/50/622381950.db2.gz ZWMRVLZPNBYNCS-QZTJIDSGSA-N 1 0 305.418 3.086 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cscn3)CC2)cc1 ZINC000768100481 622438444 /nfs/dbraw/zinc/43/84/44/622438444.db2.gz BAGGDTZCKHBQQK-ZDUSSCGKSA-N 1 0 317.458 3.471 20 10 DGCDRO CC[N@H+](Cc1cnc(N(C)C)s1)Cc1ccc(N(C)C)cc1 ZINC000768133755 622441001 /nfs/dbraw/zinc/44/10/01/622441001.db2.gz MEGRLBUFFOEZHA-UHFFFAOYSA-N 1 0 318.490 3.297 20 10 DGCDRO COCC[N@H+](Cc1cccs1)Cc1ccc(N(C)C)cc1 ZINC000768199054 622445105 /nfs/dbraw/zinc/44/51/05/622445105.db2.gz WNCRFDJKEGQQET-UHFFFAOYSA-N 1 0 304.459 3.463 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccn2C)c(O)c1 ZINC000768197823 622445149 /nfs/dbraw/zinc/44/51/49/622445149.db2.gz NLSZCPFLAVMIJW-KRWDZBQOSA-N 1 0 300.402 3.467 20 10 DGCDRO c1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000768356356 622451995 /nfs/dbraw/zinc/45/19/95/622451995.db2.gz XGKOJHMTZZZZQB-HXUWFJFHSA-N 1 0 323.440 3.255 20 10 DGCDRO CC(C)(C)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768444472 622456126 /nfs/dbraw/zinc/45/61/26/622456126.db2.gz BQDGITDGYQYVPN-INIZCTEOSA-N 1 0 305.418 3.076 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccsc1)[C@@H](O)CO2 ZINC000768439705 622456168 /nfs/dbraw/zinc/45/61/68/622456168.db2.gz MRXKUCYNPBEAKL-HOCLYGCPSA-N 1 0 317.410 3.217 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCCCC1)[C@H](O)CO2 ZINC000768442515 622456420 /nfs/dbraw/zinc/45/64/20/622456420.db2.gz KWXKAVIJKKJURL-FUHWJXTLSA-N 1 0 317.429 3.363 20 10 DGCDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462142 622457890 /nfs/dbraw/zinc/45/78/90/622457890.db2.gz JXWSSEGVQGHWAD-RHSMWYFYSA-N 1 0 305.418 3.363 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000768531306 622462303 /nfs/dbraw/zinc/46/23/03/622462303.db2.gz AFWUMBYBRFJZJV-OAHLLOKOSA-N 1 0 317.351 3.226 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(N(C)C)cc1 ZINC000768840609 622480278 /nfs/dbraw/zinc/48/02/78/622480278.db2.gz GEYFIHMLWAIKQU-DNVCBOLYSA-N 1 0 316.445 3.238 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c1O ZINC000768894564 622483906 /nfs/dbraw/zinc/48/39/06/622483906.db2.gz YPDLTVJZXJHDGD-KRWDZBQOSA-N 1 0 313.397 3.444 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCC(OCCC(C)C)CC1 ZINC000768904468 622484865 /nfs/dbraw/zinc/48/48/65/622484865.db2.gz YZHFEWYYQHCRIL-UHFFFAOYSA-N 1 0 307.434 3.428 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000768936923 622486625 /nfs/dbraw/zinc/48/66/25/622486625.db2.gz JCMHGXAASWLBDQ-AWEZNQCLSA-N 1 0 308.853 3.496 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)ccc1N1CCOCC1 ZINC000769101356 622498413 /nfs/dbraw/zinc/49/84/13/622498413.db2.gz DLDFXIVSLVDDEZ-FUHWJXTLSA-N 1 0 318.436 3.427 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)ccc1N1CCOCC1 ZINC000769101359 622498602 /nfs/dbraw/zinc/49/86/02/622498602.db2.gz DLDFXIVSLVDDEZ-SJLPKXTDSA-N 1 0 318.436 3.427 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc1C ZINC000789866936 625571756 /nfs/dbraw/zinc/57/17/56/625571756.db2.gz VAQUXWLGWGMHIT-VOTSOKGWSA-N 1 0 320.433 3.180 20 10 DGCDRO COc1cccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1O ZINC000769318308 622517235 /nfs/dbraw/zinc/51/72/35/622517235.db2.gz UHLHTGASZNJMLF-SFHVURJKSA-N 1 0 313.397 3.364 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000870857076 622519343 /nfs/dbraw/zinc/51/93/43/622519343.db2.gz VODFRHFTAOBFMP-IAGOWNOFSA-N 1 0 317.477 3.009 20 10 DGCDRO Nc1ncc(C[N@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC000769386643 622523315 /nfs/dbraw/zinc/52/33/15/622523315.db2.gz CVLZEJXPDBJACH-UHFFFAOYSA-N 1 0 303.431 3.376 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)c(O)c1 ZINC000769403291 622524977 /nfs/dbraw/zinc/52/49/77/622524977.db2.gz BTXPNYXWMCJYMX-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000769404076 622525369 /nfs/dbraw/zinc/52/53/69/622525369.db2.gz NFRVAFKPJLIDSS-QGZVFWFLSA-N 1 0 310.441 3.407 20 10 DGCDRO CN1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C(C)(C)C1 ZINC000769446040 622528167 /nfs/dbraw/zinc/52/81/67/622528167.db2.gz KQTQUZMHSLEADW-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO CCC[N@H+](Cc1c(O)cccc1OC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000769470252 622530696 /nfs/dbraw/zinc/53/06/96/622530696.db2.gz JPDLVTXSNZHWRT-XWIAVFTESA-N 1 0 319.445 3.426 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(O)(CC)CC2)cc1F ZINC000769485732 622533074 /nfs/dbraw/zinc/53/30/74/622533074.db2.gz OMXHYQJDRGNRFL-UHFFFAOYSA-N 1 0 308.441 3.409 20 10 DGCDRO CCOC(=O)C1([N@H+](C)Cc2cc(C)ccc2O)CCCCC1 ZINC000769504700 622534947 /nfs/dbraw/zinc/53/49/47/622534947.db2.gz XXBXTCQXPQRTHK-UHFFFAOYSA-N 1 0 305.418 3.398 20 10 DGCDRO Oc1cccc(Cl)c1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000769513683 622536531 /nfs/dbraw/zinc/53/65/31/622536531.db2.gz FZNRTWXEAUUPQM-ZDUSSCGKSA-N 1 0 323.742 3.181 20 10 DGCDRO CCOC(=O)CCC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000769524608 622538050 /nfs/dbraw/zinc/53/80/50/622538050.db2.gz PSBZDDKQZGGCKA-UHFFFAOYSA-N 1 0 318.461 3.308 20 10 DGCDRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871197927 622565703 /nfs/dbraw/zinc/56/57/03/622565703.db2.gz ABZMPQMXUADMNR-UHFFFAOYSA-N 1 0 322.408 3.144 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000770375004 622627109 /nfs/dbraw/zinc/62/71/09/622627109.db2.gz PPTGMSRIDAEECC-HOCLYGCPSA-N 1 0 305.418 3.039 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@H]1CCCOC1 ZINC000872029556 622761881 /nfs/dbraw/zinc/76/18/81/622761881.db2.gz RUJPXVDIJDWZEF-ROUUACIJSA-N 1 0 302.462 3.364 20 10 DGCDRO C[C@H]([N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000771787951 622796149 /nfs/dbraw/zinc/79/61/49/622796149.db2.gz WAOGBTXMRBJRSB-HNNXBMFYSA-N 1 0 319.493 3.077 20 10 DGCDRO CC(C)[N@H+](CC(=O)c1cccn1C)Cc1ccc(N(C)C)cc1 ZINC000771792449 622796226 /nfs/dbraw/zinc/79/62/26/622796226.db2.gz YVILSKGDYDSILW-UHFFFAOYSA-N 1 0 313.445 3.184 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)cc1 ZINC000872117355 622817547 /nfs/dbraw/zinc/81/75/47/622817547.db2.gz OUDXMRKTYUWDKI-GOEBONIOSA-N 1 0 304.434 3.137 20 10 DGCDRO C[N@H+](Cc1cccc(O)c1)Cc1cc(Br)ccc1O ZINC000771935453 622820364 /nfs/dbraw/zinc/82/03/64/622820364.db2.gz QLXUNHXFWRZNEJ-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000872127202 622822773 /nfs/dbraw/zinc/82/27/73/622822773.db2.gz YHXGIGUSBXVCEI-IIAWOOMASA-N 1 0 306.425 3.238 20 10 DGCDRO CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000872254330 622867806 /nfs/dbraw/zinc/86/78/06/622867806.db2.gz ZTANIPKQEHHHTN-JTQLQIEISA-N 1 0 300.805 3.053 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872253701 622868421 /nfs/dbraw/zinc/86/84/21/622868421.db2.gz DVPSGKNWVYIACI-CWDCEQMOSA-N 1 0 310.388 3.122 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872253704 622868564 /nfs/dbraw/zinc/86/85/64/622868564.db2.gz DVPSGKNWVYIACI-QGZUEGPWSA-N 1 0 310.388 3.122 20 10 DGCDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773024565 622970074 /nfs/dbraw/zinc/97/00/74/622970074.db2.gz IVAIAQLKDYIUIV-IRXDYDNUSA-N 1 0 320.477 3.379 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)N(C)C ZINC000773042482 622973032 /nfs/dbraw/zinc/97/30/32/622973032.db2.gz BDENFTURTNEEPZ-HZPDHXFCSA-N 1 0 317.477 3.194 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)cc1OC ZINC000872803608 622982249 /nfs/dbraw/zinc/98/22/49/622982249.db2.gz CGUZQBYPSRFQJV-AWEZNQCLSA-N 1 0 319.323 3.184 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c1O ZINC000872807306 622982830 /nfs/dbraw/zinc/98/28/30/622982830.db2.gz MTSNVNGGEJFVAS-CYBMUJFWSA-N 1 0 318.442 3.464 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)cc1 ZINC000773108302 622985555 /nfs/dbraw/zinc/98/55/55/622985555.db2.gz WAGLRRNQTQIFOO-DGCLKSJQSA-N 1 0 304.356 3.107 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc[nH]1 ZINC000773115857 622986378 /nfs/dbraw/zinc/98/63/78/622986378.db2.gz AITPMOKSFVZDHK-KBPBESRZSA-N 1 0 317.408 3.402 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2c(C)nn(C)c2C)cc1C ZINC000873033827 623022388 /nfs/dbraw/zinc/02/23/88/623022388.db2.gz JYNURXNJEOJHBS-UHFFFAOYSA-N 1 0 301.434 3.424 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCSC)cc1Cn1cccn1 ZINC000873055289 623027093 /nfs/dbraw/zinc/02/70/93/623027093.db2.gz FSZJNSSJEDHQAP-AWEZNQCLSA-N 1 0 319.474 3.171 20 10 DGCDRO COc1ccc(C[NH2+]CCC2(F)CCC2)cc1Cn1cccn1 ZINC000873126204 623042079 /nfs/dbraw/zinc/04/20/79/623042079.db2.gz ADYSYGCLIXGPDG-UHFFFAOYSA-N 1 0 317.408 3.312 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CC(C)(C)CO2)ccc1OC ZINC000873156353 623054954 /nfs/dbraw/zinc/05/49/54/623054954.db2.gz SHMLNVUDYLDXCA-INIZCTEOSA-N 1 0 307.434 3.136 20 10 DGCDRO C[N@H+](CCCCCC[NH3+])Cc1cccc(Br)c1[O-] ZINC000873231508 623083627 /nfs/dbraw/zinc/08/36/27/623083627.db2.gz LSDUHYILYVPNMR-UHFFFAOYSA-N 1 0 315.255 3.106 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000873235085 623086015 /nfs/dbraw/zinc/08/60/15/623086015.db2.gz KRGIGLWMBOWITO-CZUORRHYSA-N 1 0 302.393 3.142 20 10 DGCDRO CC(C)N(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000774483982 623151370 /nfs/dbraw/zinc/15/13/70/623151370.db2.gz NXTQKCXDIZJEQT-JKSUJKDBSA-N 1 0 319.493 3.437 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCOCC3(CCCC3)C1)CCC2 ZINC000774656676 623171730 /nfs/dbraw/zinc/17/17/30/623171730.db2.gz WWHSREHKILHVLB-UHFFFAOYSA-N 1 0 301.430 3.274 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1ccccc1O ZINC000775128393 623233962 /nfs/dbraw/zinc/23/39/62/623233962.db2.gz ASEAHWLHCRWWMA-KFWWJZLASA-N 1 0 324.424 3.409 20 10 DGCDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000775184969 623239187 /nfs/dbraw/zinc/23/91/87/623239187.db2.gz UFEKRBRQSXQSLY-SFHVURJKSA-N 1 0 321.417 3.099 20 10 DGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cc(C)c(C)cc1O)C(C)C ZINC000775373223 623260982 /nfs/dbraw/zinc/26/09/82/623260982.db2.gz AWZLBQNUXMYEJV-SFHVURJKSA-N 1 0 307.434 3.467 20 10 DGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775410250 623271269 /nfs/dbraw/zinc/27/12/69/623271269.db2.gz KLCGYIYWUGTZDX-ZIAGYGMSSA-N 1 0 305.466 3.097 20 10 DGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775410247 623271405 /nfs/dbraw/zinc/27/14/05/623271405.db2.gz KLCGYIYWUGTZDX-UONOGXRCSA-N 1 0 305.466 3.097 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)COCC(C)C)c1cc(Cl)ccc1O ZINC000775487816 623279130 /nfs/dbraw/zinc/27/91/30/623279130.db2.gz DXJDXVGEWQRERF-ZFWWWQNUSA-N 1 0 315.841 3.120 20 10 DGCDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)ccc1O ZINC000775485681 623279245 /nfs/dbraw/zinc/27/92/45/623279245.db2.gz ZCNCABDWWVCYDN-AWEZNQCLSA-N 1 0 310.825 3.099 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1cc(Cl)ccc1O ZINC000775491290 623280011 /nfs/dbraw/zinc/28/00/11/623280011.db2.gz HQHFFXBCJOBNRS-BXUZGUMPSA-N 1 0 310.825 3.097 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(Cl)ccc1O ZINC000775522395 623284085 /nfs/dbraw/zinc/28/40/85/623284085.db2.gz OIQKZZAUSSJHST-OCCSQVGLSA-N 1 0 305.809 3.367 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O ZINC000775690302 623314675 /nfs/dbraw/zinc/31/46/75/623314675.db2.gz PRRMTNODMLLBNR-WCQYABFASA-N 1 0 323.742 3.242 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000775690303 623314955 /nfs/dbraw/zinc/31/49/55/623314955.db2.gz PRRMTNODMLLBNR-YPMHNXCESA-N 1 0 323.742 3.242 20 10 DGCDRO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775829934 623338536 /nfs/dbraw/zinc/33/85/36/623338536.db2.gz BATQXJIUBQCUJO-HNNXBMFYSA-N 1 0 311.429 3.350 20 10 DGCDRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834185 623339761 /nfs/dbraw/zinc/33/97/61/623339761.db2.gz LFXOAGOETXMLMT-RDJZCZTQSA-N 1 0 317.477 3.194 20 10 DGCDRO CC(C)N(C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000775833348 623339825 /nfs/dbraw/zinc/33/98/25/623339825.db2.gz BWVOWYAUNBGXNT-OAHLLOKOSA-N 1 0 305.466 3.049 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC000776165418 623387256 /nfs/dbraw/zinc/38/72/56/623387256.db2.gz QQQGTHORBUNUHJ-QZTJIDSGSA-N 1 0 302.462 3.498 20 10 DGCDRO COc1cc(O)c(C[NH2+]C2CCC(OC(C)C)CC2)cc1OC ZINC000776254048 623401715 /nfs/dbraw/zinc/40/17/15/623401715.db2.gz ZZDQGBOLKLWTMR-UHFFFAOYSA-N 1 0 323.433 3.235 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000776311430 623410580 /nfs/dbraw/zinc/41/05/80/623410580.db2.gz RTDPWWGXBFTWOK-UHFFFAOYSA-N 1 0 301.459 3.378 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000776693100 623452483 /nfs/dbraw/zinc/45/24/83/623452483.db2.gz SJTBYFVMHBVXIG-FQEVSTJZSA-N 1 0 310.441 3.196 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000776767600 623461274 /nfs/dbraw/zinc/46/12/74/623461274.db2.gz DWWIFYDVGGWMCX-LJQANCHMSA-N 1 0 315.388 3.242 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000776864625 623472504 /nfs/dbraw/zinc/47/25/04/623472504.db2.gz MIGNGHHZHWNFTG-KKUMJFAQSA-N 1 0 320.433 3.300 20 10 DGCDRO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)CC1CC1 ZINC000125630559 623500398 /nfs/dbraw/zinc/50/03/98/623500398.db2.gz FPGSQUFDLGNDBZ-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO COc1cc2c(cc1F)C[N@H+](Cc1cccc(C)c1O)CC2 ZINC000777440011 623526092 /nfs/dbraw/zinc/52/60/92/623526092.db2.gz CLBVMWJORMFNCP-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)c1 ZINC000777484117 623530860 /nfs/dbraw/zinc/53/08/60/623530860.db2.gz JPSKMQIHEJJXAQ-FZKQIMNGSA-N 1 0 307.434 3.068 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1O ZINC000777744885 623563663 /nfs/dbraw/zinc/56/36/63/623563663.db2.gz VTTRXTHYZKRXPN-QGZVFWFLSA-N 1 0 321.392 3.125 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1O ZINC000777744884 623563718 /nfs/dbraw/zinc/56/37/18/623563718.db2.gz VTTRXTHYZKRXPN-KRWDZBQOSA-N 1 0 321.392 3.125 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1 ZINC000790498151 625660949 /nfs/dbraw/zinc/66/09/49/625660949.db2.gz PGSJJEJPWVSLEZ-DYVFJYSZSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3cc(C)ccc3C2)cc1OC ZINC000790446705 625655693 /nfs/dbraw/zinc/65/56/93/625655693.db2.gz MANFKAXJRHRJMM-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO O=C(Nc1ccccc1)C1([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000778218438 623626894 /nfs/dbraw/zinc/62/68/94/623626894.db2.gz RPMMBNQIQKFJTB-UHFFFAOYSA-N 1 0 316.788 3.307 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000876552926 623641600 /nfs/dbraw/zinc/64/16/00/623641600.db2.gz CZIMNNQTWWKYJR-HNNXBMFYSA-N 1 0 322.412 3.123 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000876557017 623643390 /nfs/dbraw/zinc/64/33/90/623643390.db2.gz STHYKYOKEUZWKJ-UHFFFAOYSA-N 1 0 324.424 3.095 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000876611877 623659137 /nfs/dbraw/zinc/65/91/37/623659137.db2.gz UNTNWULDGYSRCK-LBPRGKRZSA-N 1 0 303.324 3.244 20 10 DGCDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(C)cc1O ZINC000876683203 623680875 /nfs/dbraw/zinc/68/08/75/623680875.db2.gz SVQPDHOGCQBYEH-UHFFFAOYSA-N 1 0 301.415 3.350 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000876682751 623681509 /nfs/dbraw/zinc/68/15/09/623681509.db2.gz OBDGDFRGXJLKSE-SFHVURJKSA-N 1 0 301.361 3.413 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(O)c1 ZINC000876719278 623688849 /nfs/dbraw/zinc/68/88/49/623688849.db2.gz HKFIBJKCVMEZDP-HNNXBMFYSA-N 1 0 318.461 3.075 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000876728632 623690758 /nfs/dbraw/zinc/69/07/58/623690758.db2.gz QZVPNBYDDUNLSZ-ZDUSSCGKSA-N 1 0 308.422 3.046 20 10 DGCDRO CC(C)[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000876758422 623699089 /nfs/dbraw/zinc/69/90/89/623699089.db2.gz IUGKROCVUCSIFM-UHFFFAOYSA-N 1 0 302.462 3.411 20 10 DGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000876773863 623702853 /nfs/dbraw/zinc/70/28/53/623702853.db2.gz XILKAYGBHVIZIU-OAQYLSRUSA-N 1 0 303.427 3.070 20 10 DGCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876815125 623714576 /nfs/dbraw/zinc/71/45/76/623714576.db2.gz VAEQPPDYVPWALR-HNNXBMFYSA-N 1 0 305.418 3.256 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000778998073 623718041 /nfs/dbraw/zinc/71/80/41/623718041.db2.gz GXXPZDWEYVEEKX-IRXDYDNUSA-N 1 0 318.461 3.022 20 10 DGCDRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(F)ccc1O ZINC000779035397 623723887 /nfs/dbraw/zinc/72/38/87/623723887.db2.gz ZJAZMWONOHSJQV-KZULUSFZSA-N 1 0 301.361 3.355 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(OC)cnc2F)cc1 ZINC000876943464 623751188 /nfs/dbraw/zinc/75/11/88/623751188.db2.gz DAIHNFBGNGWLOY-UHFFFAOYSA-N 1 0 317.408 3.365 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](OC)C2CCOCC2)cc1 ZINC000876944677 623751349 /nfs/dbraw/zinc/75/13/49/623751349.db2.gz OVMOLGWNCKADML-IBGZPJMESA-N 1 0 320.477 3.064 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)cc1 ZINC000876945425 623751583 /nfs/dbraw/zinc/75/15/83/623751583.db2.gz YLGQLVRUKWIVAO-DOTOQJQBSA-N 1 0 317.477 3.070 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c(O)c1 ZINC000876948023 623751836 /nfs/dbraw/zinc/75/18/36/623751836.db2.gz CWWCLGKPNZOJEV-QGZVFWFLSA-N 1 0 302.393 3.232 20 10 DGCDRO CC(C)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000876966464 623756550 /nfs/dbraw/zinc/75/65/50/623756550.db2.gz WLEVZRAYCQRGRJ-UHFFFAOYSA-N 1 0 320.452 3.313 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1(C(=O)OC)CCC1 ZINC000779341732 623761278 /nfs/dbraw/zinc/76/12/78/623761278.db2.gz PRFLEVBKAPLSRA-INIZCTEOSA-N 1 0 322.424 3.103 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000779431909 623769568 /nfs/dbraw/zinc/76/95/68/623769568.db2.gz HSINHZKJUAZGPX-XJKSGUPXSA-N 1 0 311.809 3.257 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)c1cccc(OC(C)C)c1 ZINC000877036600 623772318 /nfs/dbraw/zinc/77/23/18/623772318.db2.gz RIWBGHIBSKROSX-LJQANCHMSA-N 1 0 315.413 3.311 20 10 DGCDRO Cc1ccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000877075601 623784908 /nfs/dbraw/zinc/78/49/08/623784908.db2.gz OMHOBQMVZFACBH-UHFFFAOYSA-N 1 0 308.422 3.094 20 10 DGCDRO Cc1noc(C2CCC([NH2+]Cc3ccc(C)cc3O)CC2)n1 ZINC000877075422 623785266 /nfs/dbraw/zinc/78/52/66/623785266.db2.gz BTAGTCZYWQYKGY-UHFFFAOYSA-N 1 0 301.390 3.208 20 10 DGCDRO CCCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877095064 623790643 /nfs/dbraw/zinc/79/06/43/623790643.db2.gz VMWXXGFGVAMXNP-UHFFFAOYSA-N 1 0 302.462 3.318 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000877117359 623794925 /nfs/dbraw/zinc/79/49/25/623794925.db2.gz WDAFEHOJFYIZTE-CQSZACIVSA-N 1 0 307.459 3.235 20 10 DGCDRO CCOc1ccc(N(CC2CC2)C(=O)C=C2CC[NH2+]CC2)cc1 ZINC000877130048 623798624 /nfs/dbraw/zinc/79/86/24/623798624.db2.gz IAVKFICTWPNADX-UHFFFAOYSA-N 1 0 314.429 3.138 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000877162557 623812016 /nfs/dbraw/zinc/81/20/16/623812016.db2.gz IOVIOOGGXTWFDP-OAHLLOKOSA-N 1 0 320.433 3.094 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)ccc1OC ZINC000779989114 623845740 /nfs/dbraw/zinc/84/57/40/623845740.db2.gz UQCQPEDCONFWBE-GOEBONIOSA-N 1 0 307.434 3.136 20 10 DGCDRO c1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)ccn1 ZINC000780039525 623852600 /nfs/dbraw/zinc/85/26/00/623852600.db2.gz NOXIMYMGIZFOIL-PKOBYXMFSA-N 1 0 310.397 3.026 20 10 DGCDRO COc1cnc(F)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000877416762 623874948 /nfs/dbraw/zinc/87/49/48/623874948.db2.gz PJPNORUZGYKFKD-GFCCVEGCSA-N 1 0 303.381 3.146 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000877460994 623893039 /nfs/dbraw/zinc/89/30/39/623893039.db2.gz ZUWRFAMNBYWBCD-UHFFFAOYSA-N 1 0 316.367 3.065 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877460687 623893389 /nfs/dbraw/zinc/89/33/89/623893389.db2.gz SDRAIKNIWQGZRY-AWEZNQCLSA-N 1 0 303.324 3.244 20 10 DGCDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000877494097 623911116 /nfs/dbraw/zinc/91/11/16/623911116.db2.gz SNIPQBOFNIDZIW-XUSGNXJCSA-N 1 0 315.350 3.213 20 10 DGCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877508672 623916975 /nfs/dbraw/zinc/91/69/75/623916975.db2.gz BSWLISYRYSZFJN-SFHVURJKSA-N 1 0 314.429 3.102 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CCc2cccnc2)c1 ZINC000877532255 623927711 /nfs/dbraw/zinc/92/77/11/623927711.db2.gz CYVLBVADARPNPP-UONOGXRCSA-N 1 0 300.402 3.468 20 10 DGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531446 623927852 /nfs/dbraw/zinc/92/78/52/623927852.db2.gz MXCZQNMJGQPGOF-NVXWUHKLSA-N 1 0 302.462 3.411 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C1CC1 ZINC000877539250 623932664 /nfs/dbraw/zinc/93/26/64/623932664.db2.gz LTLHOXRONPAYCC-IBGZPJMESA-N 1 0 314.473 3.268 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c(O)c1 ZINC000877540195 623932755 /nfs/dbraw/zinc/93/27/55/623932755.db2.gz ZIJSOJJLBHVYCG-UHFFFAOYSA-N 1 0 311.429 3.294 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c(O)c1 ZINC000877539460 623932891 /nfs/dbraw/zinc/93/28/91/623932891.db2.gz NMMKTCWDQPEJAS-QGZVFWFLSA-N 1 0 303.427 3.340 20 10 DGCDRO COCCOCc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877542268 623933998 /nfs/dbraw/zinc/93/39/98/623933998.db2.gz RDFXGYWIDDRFGD-UHFFFAOYSA-N 1 0 315.413 3.153 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c(O)c1 ZINC000877548893 623937174 /nfs/dbraw/zinc/93/71/74/623937174.db2.gz WCHVWTZCNCPXQZ-UHFFFAOYSA-N 1 0 311.425 3.227 20 10 DGCDRO C[C@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC=CCC1 ZINC000877586291 623952778 /nfs/dbraw/zinc/95/27/78/623952778.db2.gz ZMRMXSBRGUOADD-IBGZPJMESA-N 1 0 300.446 3.236 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC(F)F ZINC000877604772 623958818 /nfs/dbraw/zinc/95/88/18/623958818.db2.gz RBNGIIYKYBFONN-CYBMUJFWSA-N 1 0 312.404 3.029 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CC3(Cl)Cl)C2)cc1 ZINC000877621391 623966030 /nfs/dbraw/zinc/96/60/30/623966030.db2.gz VUUNGCRTIVCYJU-RYUDHWBXSA-N 1 0 315.244 3.057 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)c1cccc(OC)c1 ZINC000877626709 623968696 /nfs/dbraw/zinc/96/86/96/623968696.db2.gz YLYDLLZBPXZWGJ-KRWDZBQOSA-N 1 0 301.386 3.187 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645483 623976431 /nfs/dbraw/zinc/97/64/31/623976431.db2.gz MQCGAFFEJDGMBY-AWEZNQCLSA-N 1 0 318.804 3.232 20 10 DGCDRO COc1cccc([C@H](C[NH2+]Cc2c(C)cccc2O)OC)c1 ZINC000877647171 623976540 /nfs/dbraw/zinc/97/65/40/623976540.db2.gz BDBIWEZEWQHIKT-SFHVURJKSA-N 1 0 301.386 3.187 20 10 DGCDRO CCOc1ccc(CN2CCC(C)([NH+]3CCCC3)CC2)c(O)c1 ZINC000877673623 623987064 /nfs/dbraw/zinc/98/70/64/623987064.db2.gz IMSORCBQWRJTLE-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3F)cc2)CC1 ZINC000877682331 623990327 /nfs/dbraw/zinc/99/03/27/623990327.db2.gz KBXICZMKCCNTJV-ZWKOTPCHSA-N 1 0 306.425 3.018 20 10 DGCDRO Cc1cccc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1O ZINC000877713316 624002473 /nfs/dbraw/zinc/00/24/73/624002473.db2.gz FZBPBBDDHWSSPU-QGZVFWFLSA-N 1 0 309.413 3.080 20 10 DGCDRO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C)cc3O)CCO2)cc1 ZINC000877755240 624021668 /nfs/dbraw/zinc/02/16/68/624021668.db2.gz GKEXASMPSPQQLK-IBGZPJMESA-N 1 0 313.397 3.283 20 10 DGCDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC000877756023 624021985 /nfs/dbraw/zinc/02/19/85/624021985.db2.gz ZEFOTDIBLQVMCC-CYBMUJFWSA-N 1 0 322.412 3.441 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)cc2c1OCCO2 ZINC000877756316 624022848 /nfs/dbraw/zinc/02/28/48/624022848.db2.gz GZDHREYMSYLGJJ-GFCCVEGCSA-N 1 0 315.369 3.023 20 10 DGCDRO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1ccccc1O ZINC000877756473 624022858 /nfs/dbraw/zinc/02/28/58/624022858.db2.gz KRRXUZQHKHGPDY-CYBMUJFWSA-N 1 0 317.385 3.234 20 10 DGCDRO Cc1nn(C)c(C[NH2+][C@@H](C)c2ccccc2O)c1Br ZINC000877758087 624024039 /nfs/dbraw/zinc/02/40/39/624024039.db2.gz ILBOPTVZHGNVRJ-VIFPVBQESA-N 1 0 324.222 3.047 20 10 DGCDRO CC(C)CC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000877775181 624032712 /nfs/dbraw/zinc/03/27/12/624032712.db2.gz UEPWIZKNTGVTAX-UHFFFAOYSA-N 1 0 324.852 3.126 20 10 DGCDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000877777979 624033699 /nfs/dbraw/zinc/03/36/99/624033699.db2.gz HZESOYBDNAYMRR-GWCFXTLKSA-N 1 0 316.239 3.102 20 10 DGCDRO COc1ccc(O)c(CN2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000877794446 624036475 /nfs/dbraw/zinc/03/64/75/624036475.db2.gz LFHWCDUWDSLJTL-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000877807921 624041094 /nfs/dbraw/zinc/04/10/94/624041094.db2.gz YSTXNCGPYNPDFG-UHFFFAOYSA-N 1 0 319.714 3.051 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877824305 624056430 /nfs/dbraw/zinc/05/64/30/624056430.db2.gz QZQWWUQRXACZOY-IUODEOHRSA-N 1 0 316.367 3.294 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](O)c1ccccc1 ZINC000877832177 624061851 /nfs/dbraw/zinc/06/18/51/624061851.db2.gz HLBYRNAPMJARMY-WMZOPIPTSA-N 1 0 301.386 3.003 20 10 DGCDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000877835851 624063501 /nfs/dbraw/zinc/06/35/01/624063501.db2.gz YJKLZVABRBPZBC-KRWDZBQOSA-N 1 0 302.462 3.270 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CC2(CO1)CCOCC2 ZINC000878150857 624190487 /nfs/dbraw/zinc/19/04/87/624190487.db2.gz JQVLQIBRIAQAEO-QGZVFWFLSA-N 1 0 319.445 3.190 20 10 DGCDRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000783244268 624330116 /nfs/dbraw/zinc/33/01/16/624330116.db2.gz FOSUAYNJBVDWKD-UHOFOFEASA-N 1 0 308.853 3.398 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000783302620 624336566 /nfs/dbraw/zinc/33/65/66/624336566.db2.gz FPJXRZWSQBHEBI-ZBFHGGJFSA-N 1 0 320.408 3.006 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(Br)cc1O ZINC000783309460 624337359 /nfs/dbraw/zinc/33/73/59/624337359.db2.gz JHLOJHRZLUHTQE-CMPLNLGQSA-N 1 0 312.207 3.498 20 10 DGCDRO C[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccccc1O ZINC000783498863 624359174 /nfs/dbraw/zinc/35/91/74/624359174.db2.gz JKZZBTYWEIWJLV-HNNXBMFYSA-N 1 0 307.397 3.488 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1F ZINC000783596719 624373410 /nfs/dbraw/zinc/37/34/10/624373410.db2.gz FYLZABPJQJLYCC-QGZVFWFLSA-N 1 0 313.420 3.351 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000783716494 624386660 /nfs/dbraw/zinc/38/66/60/624386660.db2.gz AGIBATARRVGCBY-AWEZNQCLSA-N 1 0 303.324 3.244 20 10 DGCDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000783717830 624386994 /nfs/dbraw/zinc/38/69/94/624386994.db2.gz MEZBNVQWJABNDF-SFHVURJKSA-N 1 0 302.462 3.391 20 10 DGCDRO Cc1cccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)c1 ZINC000784025762 624424464 /nfs/dbraw/zinc/42/44/64/624424464.db2.gz OQBLPBOYBUKHAP-HNNXBMFYSA-N 1 0 311.381 3.419 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)c1O ZINC000879410649 624538043 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Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)c(C)c1 ZINC000879648790 624623200 /nfs/dbraw/zinc/62/32/00/624623200.db2.gz DUUWXICOPVIGRU-HZPDHXFCSA-N 1 0 315.413 3.100 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1c2ccccc2C[C@@H]1C ZINC000879651551 624624625 /nfs/dbraw/zinc/62/46/25/624624625.db2.gz ASEAHWLHCRWWMA-SOUVJXGZSA-N 1 0 324.424 3.409 20 10 DGCDRO C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccccc1O ZINC000879653362 624626688 /nfs/dbraw/zinc/62/66/88/624626688.db2.gz PAXWRIIVHFRADC-AWEZNQCLSA-N 1 0 302.418 3.050 20 10 DGCDRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879653365 624626825 /nfs/dbraw/zinc/62/68/25/624626825.db2.gz PGYPXXNFRHLPPJ-QWHCGFSZSA-N 1 0 314.385 3.079 20 10 DGCDRO CC1(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000785468928 624670996 /nfs/dbraw/zinc/67/09/96/624670996.db2.gz MHUAMFQKAKPVBU-HNNXBMFYSA-N 1 0 308.853 3.400 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000785767092 624730161 /nfs/dbraw/zinc/73/01/61/624730161.db2.gz JOKMJARBMNSTTI-ROUUACIJSA-N 1 0 302.462 3.391 20 10 DGCDRO Cc1cc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)ccc1N(C)C ZINC000880051006 624767893 /nfs/dbraw/zinc/76/78/93/624767893.db2.gz QDONGGUGYSQPLJ-OAHLLOKOSA-N 1 0 316.367 3.214 20 10 DGCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)[C@H]1C ZINC000787244150 624991508 /nfs/dbraw/zinc/99/15/08/624991508.db2.gz MNSXTHHSNBPRRV-ZFWWWQNUSA-N 1 0 319.445 3.382 20 10 DGCDRO C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788574403 625218532 /nfs/dbraw/zinc/21/85/32/625218532.db2.gz SZLURFALCMJYCU-LLVKDONJSA-N 1 0 304.356 3.403 20 10 DGCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000788582620 625219892 /nfs/dbraw/zinc/21/98/92/625219892.db2.gz HTGINTQONVLTAO-GOSISDBHSA-N 1 0 312.461 3.080 20 10 DGCDRO CCn1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c1=O ZINC000788605930 625226851 /nfs/dbraw/zinc/22/68/51/625226851.db2.gz TXUDDCNTYCYPOX-LLVKDONJSA-N 1 0 306.793 3.078 20 10 DGCDRO CC[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000211380873 625242973 /nfs/dbraw/zinc/24/29/73/625242973.db2.gz XJXMFBHPXMXQQO-JTQLQIEISA-N 1 0 303.233 3.225 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@H+](C1CC1)C1CCCC1 ZINC000130216112 625828339 /nfs/dbraw/zinc/82/83/39/625828339.db2.gz UULLIYANUJJBNP-UHFFFAOYSA-N 1 0 300.446 3.430 20 10 DGCDRO COC1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCCC1 ZINC000792156759 625916568 /nfs/dbraw/zinc/91/65/68/625916568.db2.gz MHFWFXAEOFMRBS-KRWDZBQOSA-N 1 0 319.445 3.332 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)c1 ZINC000792193715 625923777 /nfs/dbraw/zinc/92/37/77/625923777.db2.gz YXNQRLQVCUCZRG-GOEBONIOSA-N 1 0 307.434 3.428 20 10 DGCDRO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])CC2 ZINC000883101572 625928208 /nfs/dbraw/zinc/92/82/08/625928208.db2.gz MFMLGWAZZUWNBD-AWEZNQCLSA-N 1 0 321.371 3.095 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000883127100 625934955 /nfs/dbraw/zinc/93/49/55/625934955.db2.gz LNPRVOUKACQJBZ-ZDUSSCGKSA-N 1 0 322.330 3.178 20 10 DGCDRO CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796256054 626032808 /nfs/dbraw/zinc/03/28/08/626032808.db2.gz HMOLHBHHYXOAJW-IBGZPJMESA-N 1 0 310.441 3.110 20 10 DGCDRO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796283444 626035372 /nfs/dbraw/zinc/03/53/72/626035372.db2.gz FZSIQAJCVACQOY-FQEVSTJZSA-N 1 0 321.468 3.043 20 10 DGCDRO C[C@@H](CCO)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796314898 626037453 /nfs/dbraw/zinc/03/74/53/626037453.db2.gz ICJKGXMENZPRCA-KRWDZBQOSA-N 1 0 324.468 3.357 20 10 DGCDRO CC(C)CC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000796448951 626050690 /nfs/dbraw/zinc/05/06/90/626050690.db2.gz KVEONPYLSXVPHK-ZWKOTPCHSA-N 1 0 321.461 3.170 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)c(O)c1 ZINC000796481520 626054872 /nfs/dbraw/zinc/05/48/72/626054872.db2.gz IAAFTRJZQYVTDW-KUHUBIRLSA-N 1 0 315.413 3.311 20 10 DGCDRO CC(=O)c1cc(F)cc(CN(C)Cc2cnccc2C)c1O ZINC000796508037 626057161 /nfs/dbraw/zinc/05/71/61/626057161.db2.gz UCEMCKPNJLFWDJ-UHFFFAOYSA-N 1 0 302.349 3.069 20 10 DGCDRO Cc1cc2cc(C[NH2+]Cc3cc4c(cc3O)OCO4)ccc2[nH]1 ZINC000796528056 626059313 /nfs/dbraw/zinc/05/93/13/626059313.db2.gz OGULDHLKHJBZGV-UHFFFAOYSA-N 1 0 310.353 3.200 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000796819921 626086566 /nfs/dbraw/zinc/08/65/66/626086566.db2.gz XQVUDKNBELMSOA-JTQLQIEISA-N 1 0 314.341 3.098 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000798003836 626188743 /nfs/dbraw/zinc/18/87/43/626188743.db2.gz IPZDPGPRTCEJIA-MOPGFXCFSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)c1 ZINC000798088123 626193251 /nfs/dbraw/zinc/19/32/51/626193251.db2.gz HXHKDMZQJLTOJH-KRWDZBQOSA-N 1 0 318.461 3.288 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CCc3ccccc3)CC2)c1 ZINC000798229334 626203500 /nfs/dbraw/zinc/20/35/00/626203500.db2.gz WPQGCJZZRVAGSQ-UHFFFAOYSA-N 1 0 324.468 3.369 20 10 DGCDRO CC(C)c1ncc(C[N@H+](C)Cc2c(O)ccc3ccncc32)cn1 ZINC000799579902 626311285 /nfs/dbraw/zinc/31/12/85/626311285.db2.gz KZLFXFCFAVALHQ-UHFFFAOYSA-N 1 0 322.412 3.486 20 10 DGCDRO FC1(F)CCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000800277475 626347214 /nfs/dbraw/zinc/34/72/14/626347214.db2.gz UAPPKJXEWOSQES-INIZCTEOSA-N 1 0 324.415 3.438 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)CC1 ZINC000800475442 626363705 /nfs/dbraw/zinc/36/37/05/626363705.db2.gz CCKKZXWAPYAELK-LJQANCHMSA-N 1 0 314.473 3.318 20 10 DGCDRO COCCOC[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808706192 626372436 /nfs/dbraw/zinc/37/24/36/626372436.db2.gz FBTFCXRAGGLLBK-NWDGAFQWSA-N 1 0 301.814 3.056 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)c(O)c1 ZINC000800890140 626382855 /nfs/dbraw/zinc/38/28/55/626382855.db2.gz HHDIISLWVMFNIM-INIZCTEOSA-N 1 0 313.397 3.274 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000800968938 626387218 /nfs/dbraw/zinc/38/72/18/626387218.db2.gz XVUFQNOEPBLECQ-DFQSSKMNSA-N 1 0 314.473 3.174 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CC2(CC2)C(=O)O1 ZINC000801595193 626411437 /nfs/dbraw/zinc/41/14/37/626411437.db2.gz IXYMDULUAXZSLA-OAHLLOKOSA-N 1 0 303.402 3.090 20 10 DGCDRO FC1(F)CCC[C@H]1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000883267026 626629681 /nfs/dbraw/zinc/62/96/81/626629681.db2.gz QXTOEYNFEGKMOZ-INIZCTEOSA-N 1 0 324.415 3.438 20 10 DGCDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000883272220 626631701 /nfs/dbraw/zinc/63/17/01/626631701.db2.gz HDHNMDNSCALXNG-NHCYSSNCSA-N 1 0 314.223 3.230 20 10 DGCDRO Clc1ccc2c(n1)CC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000806138085 626701141 /nfs/dbraw/zinc/70/11/41/626701141.db2.gz VPEMJEZCMVYMHX-CQSZACIVSA-N 1 0 300.789 3.447 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(Cl)ccc1O ZINC000806178050 626704912 /nfs/dbraw/zinc/70/49/12/626704912.db2.gz BOJVCXYMZDXXFO-CJNGLKHVSA-N 1 0 320.820 3.257 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000132475621 626720185 /nfs/dbraw/zinc/72/01/85/626720185.db2.gz PZUWVXLTKQJKOB-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCCCO1 ZINC000132605087 626729045 /nfs/dbraw/zinc/72/90/45/626729045.db2.gz IVLUUTUILUDKHG-ZDUSSCGKSA-N 1 0 314.223 3.156 20 10 DGCDRO COC[C@H]1CC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000840083692 626745893 /nfs/dbraw/zinc/74/58/93/626745893.db2.gz QBOWSXXJFIDULY-GFCCVEGCSA-N 1 0 301.386 3.238 20 10 DGCDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1=CC(=O)CS1)[NH+](C)C ZINC000807491713 626758811 /nfs/dbraw/zinc/75/88/11/626758811.db2.gz ADSRFQUZTUABJE-WBMJQRKESA-N 1 0 318.442 3.183 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000808430987 626823665 /nfs/dbraw/zinc/82/36/65/626823665.db2.gz NAKUICGWOFLDSA-MRXNPFEDSA-N 1 0 317.816 3.141 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000808431353 626823880 /nfs/dbraw/zinc/82/38/80/626823880.db2.gz RKBYRSLCVROLKC-INIZCTEOSA-N 1 0 318.848 3.272 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c(O)c1 ZINC000808444550 626825470 /nfs/dbraw/zinc/82/54/70/626825470.db2.gz IJUDLJLZXOKHTA-ACJLOTCBSA-N 1 0 301.386 3.003 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000808706217 626852007 /nfs/dbraw/zinc/85/20/07/626852007.db2.gz FFOKXCRKBLQJTC-DGCLKSJQSA-N 1 0 324.852 3.404 20 10 DGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808717319 626853243 /nfs/dbraw/zinc/85/32/43/626853243.db2.gz BZISFJLXBWHDCL-GXTWGEPZSA-N 1 0 324.852 3.263 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000808715530 626853267 /nfs/dbraw/zinc/85/32/67/626853267.db2.gz VLILYIHOQWRABP-AAEUAGOBSA-N 1 0 305.809 3.216 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c1 ZINC000840157506 626879910 /nfs/dbraw/zinc/87/99/10/626879910.db2.gz WZBMYCWRYAZFIJ-UHFFFAOYSA-N 1 0 301.434 3.401 20 10 DGCDRO CC(C)OC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000884476565 626886874 /nfs/dbraw/zinc/88/68/74/626886874.db2.gz TYOWLIJKHNVJQF-UHFFFAOYSA-N 1 0 317.429 3.045 20 10 DGCDRO Oc1c(F)cc(Cl)cc1CNc1c[nH+]ccc1-n1cccn1 ZINC000809632997 626929834 /nfs/dbraw/zinc/92/98/34/626929834.db2.gz ZQHVTSQPDGOUPB-UHFFFAOYSA-N 1 0 318.739 3.378 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)c(O)c1 ZINC000809658524 626934037 /nfs/dbraw/zinc/93/40/37/626934037.db2.gz QHTRFSPQWMVKSO-IHWYPQMZSA-N 1 0 305.324 3.482 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)c(O)c1 ZINC000809658525 626934166 /nfs/dbraw/zinc/93/41/66/626934166.db2.gz QHTRFSPQWMVKSO-NSCUHMNNSA-N 1 0 305.324 3.482 20 10 DGCDRO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000809690621 626936656 /nfs/dbraw/zinc/93/66/56/626936656.db2.gz AQLSPRMHHGTYDY-MRXNPFEDSA-N 1 0 320.433 3.273 20 10 DGCDRO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F ZINC000809697883 626938064 /nfs/dbraw/zinc/93/80/64/626938064.db2.gz QYTDQXLUGSSBAT-CMPLNLGQSA-N 1 0 323.742 3.038 20 10 DGCDRO CC(C)n1nccc1C[NH2+]Cc1cc(Br)ccc1O ZINC000809712165 626940049 /nfs/dbraw/zinc/94/00/49/626940049.db2.gz DLYZBLBGZWEFAS-UHFFFAOYSA-N 1 0 324.222 3.222 20 10 DGCDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809718726 626941515 /nfs/dbraw/zinc/94/15/15/626941515.db2.gz XMFGMLXXRRNRLY-NSHDSACASA-N 1 0 304.356 3.238 20 10 DGCDRO Cc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1O ZINC000809720414 626941541 /nfs/dbraw/zinc/94/15/41/626941541.db2.gz BUFHKQGTDZFKGW-MRXNPFEDSA-N 1 0 320.433 3.190 20 10 DGCDRO Cc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000809724630 626942061 /nfs/dbraw/zinc/94/20/61/626942061.db2.gz SDBRNNAYCPFWKR-XJKSGUPXSA-N 1 0 308.853 3.413 20 10 DGCDRO COc1cccc(C[NH2+]Cc2nc3c(s2)CCCC3)c1O ZINC000809740168 626944039 /nfs/dbraw/zinc/94/40/39/626944039.db2.gz NLRJNQCESLUALR-UHFFFAOYSA-N 1 0 304.415 3.026 20 10 DGCDRO COc1cccc(O)c1C[N@H+](CCN(C)C)CC1CCCCC1 ZINC000809737505 626944147 /nfs/dbraw/zinc/94/41/47/626944147.db2.gz VKAXXWQJRGZSFY-UHFFFAOYSA-N 1 0 320.477 3.345 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)OC ZINC000810176023 626984606 /nfs/dbraw/zinc/98/46/06/626984606.db2.gz HGTPACHDHFHNSA-CYBMUJFWSA-N 1 0 304.356 3.286 20 10 DGCDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C2 ZINC000810178911 626985003 /nfs/dbraw/zinc/98/50/03/626985003.db2.gz ZCICPJNPKTWBDP-INIZCTEOSA-N 1 0 314.404 3.293 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1O ZINC000810252776 626992922 /nfs/dbraw/zinc/99/29/22/626992922.db2.gz JAGDGZACBXOBJP-PWSUYJOCSA-N 1 0 305.809 3.285 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CCOC)COC)c1cc(Cl)ccc1O ZINC000810257700 626994137 /nfs/dbraw/zinc/99/41/37/626994137.db2.gz TZSPATLJGTYNGQ-GXTWGEPZSA-N 1 0 301.814 3.138 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@]23C[C@H]2COC3)cc1 ZINC000886200208 627120593 /nfs/dbraw/zinc/12/05/93/627120593.db2.gz BZHCUXPJXILLGD-YJBOKZPZSA-N 1 0 314.454 3.263 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1C ZINC000886338257 627139419 /nfs/dbraw/zinc/13/94/19/627139419.db2.gz IXRFSYWWYUQZMS-RIVXBTQJSA-N 1 0 319.445 3.071 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCc3c1cccc3F)OCO2 ZINC000886364077 627143755 /nfs/dbraw/zinc/14/37/55/627143755.db2.gz NYTZRRPZTGSPEK-CQSZACIVSA-N 1 0 301.317 3.037 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000886671813 627185598 /nfs/dbraw/zinc/18/55/98/627185598.db2.gz DKHUOLUMPJLAPX-RDTXWAMCSA-N 1 0 316.420 3.146 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2F)c1 ZINC000886674096 627186427 /nfs/dbraw/zinc/18/64/27/627186427.db2.gz GNZIGYJWMAKPGT-ZFWWWQNUSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2F)c1 ZINC000886674095 627186649 /nfs/dbraw/zinc/18/66/49/627186649.db2.gz GNZIGYJWMAKPGT-UKRRQHHQSA-N 1 0 303.377 3.094 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1O ZINC000886732775 627198279 /nfs/dbraw/zinc/19/82/79/627198279.db2.gz QQEXUVJWOCFFET-KGLIPLIRSA-N 1 0 305.418 3.401 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1ccccc1O ZINC000886772224 627203287 /nfs/dbraw/zinc/20/32/87/627203287.db2.gz VMCZSGACFBXPFK-NDVSXACPSA-N 1 0 319.445 3.406 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](COC)[C@H]2CCCOC2)cc1 ZINC000886786332 627204045 /nfs/dbraw/zinc/20/40/45/627204045.db2.gz AQIOLQJFEQXLBE-VDZJLULYSA-N 1 0 320.477 3.235 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)[C@H]1CCCOC1 ZINC000886788588 627204514 /nfs/dbraw/zinc/20/45/14/627204514.db2.gz DYJLKODAFZIDRE-ZOBUZTSGSA-N 1 0 307.434 3.101 20 10 DGCDRO CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000886787570 627204594 /nfs/dbraw/zinc/20/45/94/627204594.db2.gz YFYJVRAXUFVFOF-NZSAHSFTSA-N 1 0 320.477 3.235 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000886830808 627209545 /nfs/dbraw/zinc/20/95/45/627209545.db2.gz XOJKWCDKRHFEBB-WBMJQRKESA-N 1 0 323.820 3.249 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1O ZINC000886830805 627209702 /nfs/dbraw/zinc/20/97/02/627209702.db2.gz XOJKWCDKRHFEBB-BLLLJJGKSA-N 1 0 323.820 3.249 20 10 DGCDRO Cc1cnn([C@H]2CC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)c1 ZINC000811799558 627322451 /nfs/dbraw/zinc/32/24/51/627322451.db2.gz WUCPVIQXKGEYPC-SFHVURJKSA-N 1 0 311.429 3.223 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](n4cccn4)C3)c2c1 ZINC000812294419 627368144 /nfs/dbraw/zinc/36/81/44/627368144.db2.gz MNOHEMDDPLBSGN-HNNXBMFYSA-N 1 0 323.396 3.198 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)c(C(F)(F)F)c1 ZINC000812778391 627418851 /nfs/dbraw/zinc/41/88/51/627418851.db2.gz KAKMSFLUQZGMNO-CQSZACIVSA-N 1 0 316.367 3.117 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2cnccc2C)c1 ZINC000813330629 627477925 /nfs/dbraw/zinc/47/79/25/627477925.db2.gz BHDOXRRRSGXACN-CQSZACIVSA-N 1 0 300.402 3.388 20 10 DGCDRO CC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000813791203 627512015 /nfs/dbraw/zinc/51/20/15/627512015.db2.gz YEULXNUDBNTFPQ-IBGZPJMESA-N 1 0 310.441 3.110 20 10 DGCDRO CN1C[C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)[C@@H]2C1 ZINC000814172900 627546790 /nfs/dbraw/zinc/54/67/90/627546790.db2.gz CUFPUAUJNNVWDJ-PKOBYXMFSA-N 1 0 308.425 3.195 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc(N(C)C)cc1 ZINC000814296470 627557235 /nfs/dbraw/zinc/55/72/35/627557235.db2.gz BQAVUZOPUMBZJR-GFCCVEGCSA-N 1 0 308.376 3.065 20 10 DGCDRO Cc1cc(C[NH2+][C@@](C)(CO)C2CCCCC2)ccc1N(C)C ZINC000815052437 627619461 /nfs/dbraw/zinc/61/94/61/627619461.db2.gz ONHBBDBHQXKOMG-IBGZPJMESA-N 1 0 304.478 3.482 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)ccc1N(C)C ZINC000815056376 627620462 /nfs/dbraw/zinc/62/04/62/627620462.db2.gz OUSRGTZKPIATIP-LJQANCHMSA-N 1 0 302.462 3.454 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)ccc1N(C)C ZINC000815084316 627624618 /nfs/dbraw/zinc/62/46/18/627624618.db2.gz AWWVDCIFJLRERB-LJQANCHMSA-N 1 0 302.462 3.452 20 10 DGCDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000815113793 627628313 /nfs/dbraw/zinc/62/83/13/627628313.db2.gz LGLMJPLEXKHFQB-GOSISDBHSA-N 1 0 317.477 3.023 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000815118517 627629679 /nfs/dbraw/zinc/62/96/79/627629679.db2.gz ILMWBGCWJJGAEB-NRFANRHFSA-N 1 0 324.468 3.279 20 10 DGCDRO Cc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815119743 627629910 /nfs/dbraw/zinc/62/99/10/627629910.db2.gz GHQOGZRTALGZEF-MSOLQXFVSA-N 1 0 302.462 3.450 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000815121220 627630569 /nfs/dbraw/zinc/63/05/69/627630569.db2.gz SSAYZIDPBZKWAE-SFHVURJKSA-N 1 0 302.462 3.391 20 10 DGCDRO Cc1cc(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1N(C)C ZINC000815120492 627630587 /nfs/dbraw/zinc/63/05/87/627630587.db2.gz JZNWXFFRTZBKHU-MRXNPFEDSA-N 1 0 315.505 3.367 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)ccc1OC ZINC000815148397 627637753 /nfs/dbraw/zinc/63/77/53/627637753.db2.gz VHQUORIRJXCLLH-CYBMUJFWSA-N 1 0 316.401 3.183 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H](CO)C2CCCCC2)c(O)c1 ZINC000815150783 627638216 /nfs/dbraw/zinc/63/82/16/627638216.db2.gz OKYCLVPDJNEJGM-INIZCTEOSA-N 1 0 307.434 3.069 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@]3(C)CCCO3)CC2)cc1 ZINC000815573255 627686156 /nfs/dbraw/zinc/68/61/56/627686156.db2.gz DGKNVPDKLBXRQQ-KXBFYZLASA-N 1 0 318.461 3.211 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C(C)(C)OC)CC2)cc1 ZINC000815573396 627686384 /nfs/dbraw/zinc/68/63/84/627686384.db2.gz ITWQMBBERUTYBS-AWEZNQCLSA-N 1 0 306.450 3.067 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1 ZINC000815580107 627687189 /nfs/dbraw/zinc/68/71/89/627687189.db2.gz CFOYSUDHZFXVRD-ARFHVFGLSA-N 1 0 318.461 3.307 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)c(O)c1 ZINC000815589293 627688307 /nfs/dbraw/zinc/68/83/07/627688307.db2.gz OGVBZJYNMGSILV-CABCVRRESA-N 1 0 303.402 3.104 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1F ZINC000924863357 627688645 /nfs/dbraw/zinc/68/86/45/627688645.db2.gz XTIARDAVVQYYED-UHFFFAOYSA-N 1 0 306.425 3.329 20 10 DGCDRO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccc2ccccc2c1O ZINC000816494014 627797209 /nfs/dbraw/zinc/79/72/09/627797209.db2.gz VTYYESOKRNSJEZ-UHFFFAOYSA-N 1 0 320.392 3.276 20 10 DGCDRO Oc1c(C[NH2+][C@H]2CCN(c3ccccn3)C2)ccc2ccccc21 ZINC000816558497 627807203 /nfs/dbraw/zinc/80/72/03/627807203.db2.gz BBXNCOBPJDKIEM-KRWDZBQOSA-N 1 0 319.408 3.309 20 10 DGCDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816562373 627808396 /nfs/dbraw/zinc/80/83/96/627808396.db2.gz IYJLCSHFFAEVCP-UHFFFAOYSA-N 1 0 316.401 3.160 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1O ZINC000816638976 627817963 /nfs/dbraw/zinc/81/79/63/627817963.db2.gz CUHWLIWHKJTTJJ-VIFPVBQESA-N 1 0 308.765 3.006 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1O ZINC000816653336 627820695 /nfs/dbraw/zinc/82/06/95/627820695.db2.gz OGDUNRVTASVWAW-OAHLLOKOSA-N 1 0 318.804 3.060 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(O)c1 ZINC000816656612 627821472 /nfs/dbraw/zinc/82/14/72/627821472.db2.gz YXWOHLHGDULREI-SFHVURJKSA-N 1 0 317.429 3.182 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](O)CC23CCC3)c1O ZINC000817289798 627878862 /nfs/dbraw/zinc/87/88/62/627878862.db2.gz DIHAGEOMMOEOJM-AWEZNQCLSA-N 1 0 323.820 3.128 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C3CCCC3)C2)cc1OC ZINC000817371382 627890114 /nfs/dbraw/zinc/89/01/14/627890114.db2.gz WOUIBYUYCZYZTP-AWEZNQCLSA-N 1 0 305.418 3.422 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@H](CC)C2)ccc1OC ZINC000817413969 627896399 /nfs/dbraw/zinc/89/63/99/627896399.db2.gz AXOIHBMTKGVYRG-IAGOWNOFSA-N 1 0 307.434 3.279 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000817578226 627923850 /nfs/dbraw/zinc/92/38/50/627923850.db2.gz SPJXRAKIPJONCK-SFHVURJKSA-N 1 0 309.457 3.493 20 10 DGCDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1=O ZINC000817590053 627927697 /nfs/dbraw/zinc/92/76/97/627927697.db2.gz SQRUIRPQUPUFMO-STQMWFEESA-N 1 0 324.852 3.263 20 10 DGCDRO CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000926680254 627931920 /nfs/dbraw/zinc/93/19/20/627931920.db2.gz LGGXNFSDSSFFTQ-GPMSIDNRSA-N 1 0 320.477 3.193 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000926681293 627932049 /nfs/dbraw/zinc/93/20/49/627932049.db2.gz XUCZJTZTFSHEOS-HQNOKGKPSA-N 1 0 318.486 3.290 20 10 DGCDRO CN1CCCc2cc(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)ccc21 ZINC000817900030 627956043 /nfs/dbraw/zinc/95/60/43/627956043.db2.gz JSTQKOPMTQWSJL-MOPGFXCFSA-N 1 0 307.441 3.303 20 10 DGCDRO CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817936891 627966698 /nfs/dbraw/zinc/96/66/98/627966698.db2.gz SBKGMKGNSWERBV-CYBMUJFWSA-N 1 0 303.233 3.492 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817939035 627967288 /nfs/dbraw/zinc/96/72/88/627967288.db2.gz XZISWMMIWWMLIE-LIRRHRJNSA-N 1 0 313.445 3.112 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000817942605 627969459 /nfs/dbraw/zinc/96/94/59/627969459.db2.gz PWBBQWVDUSEMOG-UXHICEINSA-N 1 0 309.457 3.493 20 10 DGCDRO CCC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817944097 627969941 /nfs/dbraw/zinc/96/99/41/627969941.db2.gz XHEUYSWYRCETRA-QZTJIDSGSA-N 1 0 312.461 3.278 20 10 DGCDRO C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817943155 627970091 /nfs/dbraw/zinc/97/00/91/627970091.db2.gz JOMUZDMXWBWWPV-GFCCVEGCSA-N 1 0 307.394 3.003 20 10 DGCDRO Oc1ccccc1[C@H](CCc1ccccc1)NC[C@H]1CCC[NH2+]1 ZINC000817953269 627973614 /nfs/dbraw/zinc/97/36/14/627973614.db2.gz YFJIBWMYPBAFSJ-MJGOQNOKSA-N 1 0 310.441 3.408 20 10 DGCDRO CCc1nc2c(s1)[C@H]([NH2+]CCc1ccc(N)cc1)CCC2 ZINC000817956087 627973962 /nfs/dbraw/zinc/97/39/62/627973962.db2.gz QHPCESGKXSBKNO-CQSZACIVSA-N 1 0 301.459 3.497 20 10 DGCDRO COc1ncc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1Cl ZINC000817958509 627974690 /nfs/dbraw/zinc/97/46/90/627974690.db2.gz WMPAMLOMWZSPHZ-NSHDSACASA-N 1 0 305.809 3.219 20 10 DGCDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817957724 627975173 /nfs/dbraw/zinc/97/51/73/627975173.db2.gz OSAFHOVFCLSMRI-QGZVFWFLSA-N 1 0 300.377 3.236 20 10 DGCDRO CCC[NH2+]CCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817963942 627976726 /nfs/dbraw/zinc/97/67/26/627976726.db2.gz YVVOMGWWDTYHCO-OAHLLOKOSA-N 1 0 307.457 3.466 20 10 DGCDRO CCC[NH2+]CCN[C@H](C)c1cc(Br)cc(C)c1O ZINC000817962019 627976794 /nfs/dbraw/zinc/97/67/94/627976794.db2.gz GMVNETSROCEKOH-LLVKDONJSA-N 1 0 315.255 3.113 20 10 DGCDRO CCC[NH2+]CCN[C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000817963560 627977090 /nfs/dbraw/zinc/97/70/90/627977090.db2.gz UZSYFBVBBNENAM-CYBMUJFWSA-N 1 0 304.356 3.451 20 10 DGCDRO CC[NH2+][C@H](C)CN[C@H](CC)c1cc(Br)ccc1O ZINC000817972015 627979757 /nfs/dbraw/zinc/97/97/57/627979757.db2.gz JFTCEYRVLNORGP-ZWNOBZJWSA-N 1 0 315.255 3.193 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976150 627981119 /nfs/dbraw/zinc/98/11/19/627981119.db2.gz HMJLCKSCGRJRKW-CABZTGNLSA-N 1 0 315.244 3.492 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(C)cc1O ZINC000927053705 628003068 /nfs/dbraw/zinc/00/30/68/628003068.db2.gz BBJUQZLUADRIMY-WNOSKKOXSA-N 1 0 305.418 3.424 20 10 DGCDRO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000818221421 628006544 /nfs/dbraw/zinc/00/65/44/628006544.db2.gz MEGJNXNJSZOEFG-LZLYRXPVSA-N 1 0 318.461 3.069 20 10 DGCDRO CCOCCOCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000927090393 628012069 /nfs/dbraw/zinc/01/20/69/628012069.db2.gz PODMSBNTXHIXFH-QGZVFWFLSA-N 1 0 320.477 3.381 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000818341666 628015471 /nfs/dbraw/zinc/01/54/71/628015471.db2.gz CMNCCTHUJUWOOP-CQSZACIVSA-N 1 0 300.446 3.300 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cc(C)on3)C2)cc1 ZINC000818342095 628015506 /nfs/dbraw/zinc/01/55/06/628015506.db2.gz LMIXMTMVZRARMC-GJZGRUSLSA-N 1 0 315.417 3.169 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccccn3)C2)cc1 ZINC000818342164 628015560 /nfs/dbraw/zinc/01/55/60/628015560.db2.gz MTNOLWYJYDTTHG-HZPDHXFCSA-N 1 0 311.429 3.267 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3nccs3)C2)cc1 ZINC000818343221 628015694 /nfs/dbraw/zinc/01/56/94/628015694.db2.gz ZRHUJVOSQBDAIY-KBPBESRZSA-N 1 0 317.458 3.329 20 10 DGCDRO O[C@H](C[NH2+]CCCSc1nccs1)c1ccc(F)cc1 ZINC000819062087 628084955 /nfs/dbraw/zinc/08/49/55/628084955.db2.gz BEKXMZMFBHGTCI-CYBMUJFWSA-N 1 0 312.435 3.088 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000819077411 628087594 /nfs/dbraw/zinc/08/75/94/628087594.db2.gz KOTWEOSPVACVGL-JXFKEZNVSA-N 1 0 312.457 3.315 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CC(C(F)F)C3)C2)cc1 ZINC000822494418 628457600 /nfs/dbraw/zinc/45/76/00/628457600.db2.gz OFXUJMRYCBBZLN-IYXRBSQSSA-N 1 0 310.388 3.155 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCN(C(C)(C)C)C1=O ZINC000823026010 628519747 /nfs/dbraw/zinc/51/97/47/628519747.db2.gz OCKCLHAYJMJSEF-INIZCTEOSA-N 1 0 318.461 3.394 20 10 DGCDRO COc1cccc(C[NH2+]C[C@H]2CSc3ccccc32)c1O ZINC000824482696 628664508 /nfs/dbraw/zinc/66/45/08/628664508.db2.gz CJBXRUIBPLEMDH-ZDUSSCGKSA-N 1 0 301.411 3.380 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnc3n2CCC3)cc1 ZINC000824541828 628668748 /nfs/dbraw/zinc/66/87/48/628668748.db2.gz JPTPZXSGGRQSHA-UHFFFAOYSA-N 1 0 312.461 3.308 20 10 DGCDRO COc1cc(C[NH+]2CCC(CCO)CC2)c(O)c(C(C)(C)C)c1 ZINC000824549227 628669803 /nfs/dbraw/zinc/66/98/03/628669803.db2.gz ZOAJFRYVAMSIMV-UHFFFAOYSA-N 1 0 321.461 3.293 20 10 DGCDRO C[N@H+](Cc1ccc(Br)cc1O)[C@@H]1CCSC1 ZINC000824555213 628670518 /nfs/dbraw/zinc/67/05/18/628670518.db2.gz CPFAIHBFECAOBN-LLVKDONJSA-N 1 0 302.237 3.092 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000824554188 628670820 /nfs/dbraw/zinc/67/08/20/628670820.db2.gz BZYAWWNCOZEZPP-LBPRGKRZSA-N 1 0 322.346 3.339 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000824597663 628675711 /nfs/dbraw/zinc/67/57/11/628675711.db2.gz UBLOOAQFWKPONC-OAHLLOKOSA-N 1 0 308.853 3.414 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000824695700 628684916 /nfs/dbraw/zinc/68/49/16/628684916.db2.gz BHFCFEKFGLCFBD-YQVWRLOYSA-N 1 0 319.445 3.306 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1O ZINC000824715541 628686378 /nfs/dbraw/zinc/68/63/78/628686378.db2.gz LMGYFQWMZMKCFE-UHFFFAOYSA-N 1 0 324.852 3.235 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H](CCO)C2)c(O)c(C(C)(C)C)c1 ZINC000824719161 628687122 /nfs/dbraw/zinc/68/71/22/628687122.db2.gz CKWJMBGAWXZHQJ-AWEZNQCLSA-N 1 0 321.461 3.293 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000824751455 628689520 /nfs/dbraw/zinc/68/95/20/628689520.db2.gz XJJXLWXLPCDEOP-ZIAGYGMSSA-N 1 0 305.418 3.401 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC000824798375 628694444 /nfs/dbraw/zinc/69/44/44/628694444.db2.gz DBCAGJYTHCWSRT-RDTXWAMCSA-N 1 0 307.434 3.332 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCSC[C@H]2C2CC2)c1O ZINC000824913764 628705693 /nfs/dbraw/zinc/70/56/93/628705693.db2.gz FCNKRDOBNNGEDU-ZDUSSCGKSA-N 1 0 313.850 3.382 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824971689 628712474 /nfs/dbraw/zinc/71/24/74/628712474.db2.gz WTHVZXXWJOHWKF-ZDUSSCGKSA-N 1 0 304.217 3.464 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C1(Cc3ccc(F)cc3)CC1)OCO2 ZINC000825016919 628716779 /nfs/dbraw/zinc/71/67/79/628716779.db2.gz JIMYDDTVKLWFBU-UHFFFAOYSA-N 1 0 315.344 3.125 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCOC[C@H]2CCCO2)cc1Cl ZINC000825065091 628724496 /nfs/dbraw/zinc/72/44/96/628724496.db2.gz RUNGFYKFICBRBT-CQSZACIVSA-N 1 0 313.825 3.029 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H](OC)C3CC3)CC2)cc1 ZINC000825099378 628727389 /nfs/dbraw/zinc/72/73/89/628727389.db2.gz YNOUWUOMGASPPX-AUUYWEPGSA-N 1 0 318.461 3.067 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c1 ZINC000825104226 628728347 /nfs/dbraw/zinc/72/83/47/628728347.db2.gz RINBYMGHYWOTRW-IRXDYDNUSA-N 1 0 305.418 3.180 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000825167644 628734126 /nfs/dbraw/zinc/73/41/26/628734126.db2.gz OEKNSFYMDOZOLX-MJGOQNOKSA-N 1 0 300.446 3.334 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCN2CCCC2(C)C)c1O ZINC000825332450 628751045 /nfs/dbraw/zinc/75/10/45/628751045.db2.gz XHHCAWMFDXAKQE-UHFFFAOYSA-N 1 0 312.841 3.018 20 10 DGCDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(Br)cc1O ZINC000825347399 628752516 /nfs/dbraw/zinc/75/25/16/628752516.db2.gz LECDKQBDACZHKB-GHMZBOCLSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825400695 628757424 /nfs/dbraw/zinc/75/74/24/628757424.db2.gz PNEQTRVJGSSXOF-UHFFFAOYSA-N 1 0 321.852 3.427 20 10 DGCDRO Cc1cccc(NCC[NH2+]Cc2cc(Cl)c(C)cc2O)n1 ZINC000825429278 628760284 /nfs/dbraw/zinc/76/02/84/628760284.db2.gz HWASYLXQFKHXDO-UHFFFAOYSA-N 1 0 305.809 3.259 20 10 DGCDRO COc1cc(C[N@H+](CC(C)(C)O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000825561656 628773664 /nfs/dbraw/zinc/77/36/64/628773664.db2.gz DZCJOJFFEOFBPB-UHFFFAOYSA-N 1 0 321.461 3.434 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1Cl ZINC000825715916 628789598 /nfs/dbraw/zinc/78/95/98/628789598.db2.gz JREYYBQVBDNLIJ-ZDUSSCGKSA-N 1 0 319.836 3.467 20 10 DGCDRO CCC[C@@](C)([NH3+])C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000826019505 628820251 /nfs/dbraw/zinc/82/02/51/628820251.db2.gz HIPLNKNRSRLKOI-GOSISDBHSA-N 1 0 305.466 3.009 20 10 DGCDRO CS[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826048745 628823328 /nfs/dbraw/zinc/82/33/28/628823328.db2.gz LKKVQWDGMWUZIU-LLVKDONJSA-N 1 0 302.237 3.092 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(C)c3O)C2)cc1 ZINC000826846167 628894077 /nfs/dbraw/zinc/89/40/77/628894077.db2.gz QHZRQBVDYLYXDT-MRXNPFEDSA-N 1 0 312.413 3.078 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]CC3Cc4ccccc4C3)C2)cc1 ZINC000826846569 628894188 /nfs/dbraw/zinc/89/41/88/628894188.db2.gz WEBBQDCPDORAMW-IBGZPJMESA-N 1 0 322.452 3.279 20 10 DGCDRO COc1cc(O)c(C[NH2+]CCC2(CSC)CC2)cc1OC ZINC000826937568 628904956 /nfs/dbraw/zinc/90/49/56/628904956.db2.gz OXOXHSYWUSFKRA-UHFFFAOYSA-N 1 0 311.447 3.032 20 10 DGCDRO COC[C@H]([NH2+]Cc1cccc(C)c1O)c1cccc(OC)c1 ZINC000827011675 628912691 /nfs/dbraw/zinc/91/26/91/628912691.db2.gz LIIIJNINRBXCGT-KRWDZBQOSA-N 1 0 301.386 3.187 20 10 DGCDRO COc1cc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000827147684 628928569 /nfs/dbraw/zinc/92/85/69/628928569.db2.gz VPDQMHDRGXPXGU-LAQFHYBYSA-N 1 0 321.461 3.147 20 10 DGCDRO Cc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1N1CCCCC1 ZINC000827300120 628946313 /nfs/dbraw/zinc/94/63/13/628946313.db2.gz XOJYGDVQTHZOMT-UHFFFAOYSA-N 1 0 312.461 3.351 20 10 DGCDRO CCc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)cc[nH+]1 ZINC000827327600 628950294 /nfs/dbraw/zinc/95/02/94/628950294.db2.gz MIHRBKZPMJCAKS-UHFFFAOYSA-N 1 0 311.429 3.117 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000827377299 628954372 /nfs/dbraw/zinc/95/43/72/628954372.db2.gz VCNNHJHQPUILPP-SFHVURJKSA-N 1 0 305.418 3.182 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1F ZINC000827596227 628975168 /nfs/dbraw/zinc/97/51/68/628975168.db2.gz WVBMVRSVMUGGJI-HOTGVXAUSA-N 1 0 306.425 3.140 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1F ZINC000827596226 628975215 /nfs/dbraw/zinc/97/52/15/628975215.db2.gz WVBMVRSVMUGGJI-CVEARBPZSA-N 1 0 306.425 3.140 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC000827692390 628983448 /nfs/dbraw/zinc/98/34/48/628983448.db2.gz IIXVKAJMRAJELX-ORAYPTAESA-N 1 0 321.461 3.149 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@]1(C)CO ZINC000827700878 628984022 /nfs/dbraw/zinc/98/40/22/628984022.db2.gz YPRWVDPRDQMREG-QFBILLFUSA-N 1 0 302.462 3.127 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c1O ZINC000827856800 628997552 /nfs/dbraw/zinc/99/75/52/628997552.db2.gz SAIALNOWIMLRSX-BDJLRTHQSA-N 1 0 321.804 3.266 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000827951072 629007388 /nfs/dbraw/zinc/00/73/88/629007388.db2.gz VLJRXFPOQNLYHO-CQSZACIVSA-N 1 0 308.853 3.257 20 10 DGCDRO CC(C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)[NH+]1CCCCC1 ZINC000827978264 629010211 /nfs/dbraw/zinc/01/02/11/629010211.db2.gz MVHCLIRBAHRDBD-WMLDXEAASA-N 1 0 304.434 3.080 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C(F)F)C3)cc2)CC1 ZINC000828545213 629065483 /nfs/dbraw/zinc/06/54/83/629065483.db2.gz OGHUTFHLUFIPHK-HNNXBMFYSA-N 1 0 324.415 3.389 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c1 ZINC000828681882 629082245 /nfs/dbraw/zinc/08/22/45/629082245.db2.gz HKAHINNRLDDOKV-CKFHNAJUSA-N 1 0 315.413 3.216 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)ccc1N1CCCCC1 ZINC000829998723 629216373 /nfs/dbraw/zinc/21/63/73/629216373.db2.gz NFKSQTAEIMLNCX-AZUAARDMSA-N 1 0 313.489 3.121 20 10 DGCDRO Cc1cc(C[NH2+][C@H]2COCC2(C)C)ccc1N1CCCCC1 ZINC000832175355 629447858 /nfs/dbraw/zinc/44/78/58/629447858.db2.gz VAKDWSJLOGVQGU-SFHVURJKSA-N 1 0 302.462 3.500 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)C2CCCC2)cc1 ZINC000832267055 629457740 /nfs/dbraw/zinc/45/77/40/629457740.db2.gz MCKGCKTYVOPZBA-QGZVFWFLSA-N 1 0 317.477 3.085 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1O ZINC000832505163 629491165 /nfs/dbraw/zinc/49/11/65/629491165.db2.gz AQGCEDYDEXCJRB-KRWDZBQOSA-N 1 0 323.433 3.453 20 10 DGCDRO Cc1cc(C(=O)N(C)CCC[NH3+])c(C)n1-c1cc(C)cc(C)c1 ZINC000832781523 629515182 /nfs/dbraw/zinc/51/51/82/629515182.db2.gz HSCRABOKWDSXBT-UHFFFAOYSA-N 1 0 313.445 3.132 20 10 DGCDRO CN(C)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000834487369 629717101 /nfs/dbraw/zinc/71/71/01/629717101.db2.gz BZKVDKZCWQZLLX-ROUUACIJSA-N 1 0 310.441 3.142 20 10 DGCDRO CN(C)C(=O)C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834530072 629721316 /nfs/dbraw/zinc/72/13/16/629721316.db2.gz AUOVEOBHADBAIN-DLBZAZTESA-N 1 0 324.424 3.189 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cc(Cl)ccc1O ZINC000834828550 629785049 /nfs/dbraw/zinc/78/50/49/629785049.db2.gz VNSBKQATIJQIPM-IAQYHMDHSA-N 1 0 323.795 3.439 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1OC)c1cc(Cl)ccc1O ZINC000834880524 629795974 /nfs/dbraw/zinc/79/59/74/629795974.db2.gz IZQFNRMSBGQLOM-WPGHFRTFSA-N 1 0 313.825 3.138 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C(=O)N(C)CC)C(C)C)c1ccc(N(C)C)cc1 ZINC000834880338 629796028 /nfs/dbraw/zinc/79/60/28/629796028.db2.gz UVBZFOLLSHKSMW-MSOLQXFVSA-N 1 0 319.493 3.296 20 10 DGCDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000834880789 629796179 /nfs/dbraw/zinc/79/61/79/629796179.db2.gz QUPWUFYQTCFZAS-TYNCELHUSA-N 1 0 313.825 3.056 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CC2(CF)CCOCC2)c2c1c(F)ccc2O ZINC000834885722 629798048 /nfs/dbraw/zinc/79/80/48/629798048.db2.gz NDRKCFFUESOEKK-AAEUAGOBSA-N 1 0 311.372 3.436 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1O)[C@H](C)O ZINC000834888258 629798625 /nfs/dbraw/zinc/79/86/25/629798625.db2.gz NZTVRUZGHUKVJU-NRUUGDAUSA-N 1 0 316.239 3.273 20 10 DGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834896283 629801108 /nfs/dbraw/zinc/80/11/08/629801108.db2.gz JOPOFHDGXWCLFF-MISXGVKJSA-N 1 0 303.381 3.034 20 10 DGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000834896298 629801152 /nfs/dbraw/zinc/80/11/52/629801152.db2.gz JXXOACPWINZWKK-ZIAGYGMSSA-N 1 0 313.445 3.286 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nc(-c3ccccn3)n[nH]2)c(O)c1 ZINC000834902467 629803540 /nfs/dbraw/zinc/80/35/40/629803540.db2.gz BAHHZKXYCNXOMY-CYBMUJFWSA-N 1 0 323.400 3.040 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(Br)cc1O ZINC000834905652 629804641 /nfs/dbraw/zinc/80/46/41/629804641.db2.gz VHNIPEKUXCIIJQ-NOZJJQNGSA-N 1 0 314.223 3.230 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccn3)n[nH]2)c(O)c1C ZINC000834904329 629805082 /nfs/dbraw/zinc/80/50/82/629805082.db2.gz OWIYCYUTMJBUEY-CYBMUJFWSA-N 1 0 323.400 3.040 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000834906423 629805111 /nfs/dbraw/zinc/80/51/11/629805111.db2.gz QPBHQLGDMGEDKQ-DNVCBOLYSA-N 1 0 302.462 3.489 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)c1 ZINC000834909616 629805767 /nfs/dbraw/zinc/80/57/67/629805767.db2.gz BAQLXFLADQIANZ-OCCSQVGLSA-N 1 0 313.401 3.082 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)c(O)c1 ZINC000834913615 629807391 /nfs/dbraw/zinc/80/73/91/629807391.db2.gz YNAJSSKYRMZBTO-JSGCOSHPSA-N 1 0 313.401 3.082 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cc(Cl)ccc1O ZINC000834912253 629807649 /nfs/dbraw/zinc/80/76/49/629807649.db2.gz BXCLSODTYVGITL-SNPRPXQTSA-N 1 0 322.836 3.240 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000835025568 629827719 /nfs/dbraw/zinc/82/77/19/629827719.db2.gz KTTTZRKMPDWNSQ-MWGFUINXSA-N 1 0 313.489 3.326 20 10 DGCDRO CCC[N@H+](C)C[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027121 629829117 /nfs/dbraw/zinc/82/91/17/629829117.db2.gz BJQSDCNUTLPSRF-OVKVCFKUSA-N 1 0 315.505 3.430 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000835030219 629829722 /nfs/dbraw/zinc/82/97/22/629829722.db2.gz VRPNZVDBSPCLLA-ARJAWSKDSA-N 1 0 310.445 3.369 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)c2cccc(F)c2)cc1 ZINC000835034355 629830310 /nfs/dbraw/zinc/83/03/10/629830310.db2.gz AHUATHUPHXMSNK-HMECNJMJSA-N 1 0 314.404 3.228 20 10 DGCDRO Cc1csc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835035818 629830468 /nfs/dbraw/zinc/83/04/68/629830468.db2.gz KWVNABHDYIJSSS-PLNGDYQASA-N 1 0 301.459 3.363 20 10 DGCDRO CN(C)c1ccc(/C=C/CNCC[N@H+](C)C2CCCC2)cc1 ZINC000835039177 629831167 /nfs/dbraw/zinc/83/11/67/629831167.db2.gz XEHASPXXXQMQAA-VOTSOKGWSA-N 1 0 301.478 3.230 20 10 DGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000835037688 629831577 /nfs/dbraw/zinc/83/15/77/629831577.db2.gz VSETZZLUFCWWEF-WRFKIARRSA-N 1 0 322.456 3.011 20 10 DGCDRO CCC1(O)CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835042403 629832777 /nfs/dbraw/zinc/83/27/77/629832777.db2.gz HLZUMBQYCVPJLA-WAYWQWQTSA-N 1 0 302.462 3.439 20 10 DGCDRO CCOc1ncccc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042250 629832971 /nfs/dbraw/zinc/83/29/71/629832971.db2.gz FVXWCCXGWZDGPT-FNORWQNLSA-N 1 0 311.429 3.349 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000835043392 629833011 /nfs/dbraw/zinc/83/30/11/629833011.db2.gz QHVBJSIISJQZTA-JQRVFGMCSA-N 1 0 300.446 3.313 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(CCO)CCCC2)cc1 ZINC000835044387 629833828 /nfs/dbraw/zinc/83/38/28/629833828.db2.gz ZHELWCXFYGIIJG-WAYWQWQTSA-N 1 0 302.462 3.298 20 10 DGCDRO Cc1cccc([C@H](O)C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC000835043882 629833965 /nfs/dbraw/zinc/83/39/65/629833965.db2.gz UWAQANYVTNALOB-ZEZYUPADSA-N 1 0 310.441 3.397 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000835043815 629834033 /nfs/dbraw/zinc/83/40/33/629834033.db2.gz ZKEATWMGWUGNCX-XSXCZSQGSA-N 1 0 308.425 3.014 20 10 DGCDRO CC(C)Cn1ccnc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835043499 629834078 /nfs/dbraw/zinc/83/40/78/629834078.db2.gz VZPISCPSXFRYSS-WAYWQWQTSA-N 1 0 312.461 3.408 20 10 DGCDRO CC[C@@](C)(CC(=O)OC)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835048399 629835407 /nfs/dbraw/zinc/83/54/07/629835407.db2.gz RAZCAMXUZCQWFJ-ZEVQVBBLSA-N 1 0 304.434 3.087 20 10 DGCDRO CC[C@](C)(CC(=O)OC)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835048398 629835898 /nfs/dbraw/zinc/83/58/98/629835898.db2.gz RAZCAMXUZCQWFJ-LKGOPFMKSA-N 1 0 304.434 3.087 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@H](O)c2ccccc2)cc1 ZINC000835052313 629837026 /nfs/dbraw/zinc/83/70/26/629837026.db2.gz CDPRUZRXGTWUPJ-HCZHMGAMSA-N 1 0 310.441 3.479 20 10 DGCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000835052519 629837153 /nfs/dbraw/zinc/83/71/53/629837153.db2.gz GIYFUMZIVTWPSM-IFABGAQTSA-N 1 0 310.441 3.478 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC000835053478 629837640 /nfs/dbraw/zinc/83/76/40/629837640.db2.gz CXDZFXDHGUZFCD-FPMVPNIMSA-N 1 0 314.473 3.153 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@H](CO)c2ccccc2)cc1 ZINC000835053460 629837644 /nfs/dbraw/zinc/83/76/44/629837644.db2.gz COWRAVANZPVKHC-WHXUGTBJSA-N 1 0 310.441 3.431 20 10 DGCDRO Cc1cnn([C@H]2CC[N@@H+](C/C=C/c3ccc(N(C)C)cc3)C2)c1 ZINC000835052671 629837755 /nfs/dbraw/zinc/83/77/55/629837755.db2.gz ILNPBORSSVVLGW-PXPVJAHISA-N 1 0 310.445 3.218 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000835055621 629840060 /nfs/dbraw/zinc/84/00/60/629840060.db2.gz LVVDZWJBCMFFPT-MNBNYPOFSA-N 1 0 313.489 3.184 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1 ZINC000835064866 629842311 /nfs/dbraw/zinc/84/23/11/629842311.db2.gz BSNARIDWMSZYPQ-KRWDZBQOSA-N 1 0 307.434 3.068 20 10 DGCDRO COC(=O)[C@H](C)C[N@H+](Cc1c(O)ccc2ccccc21)C1CC1 ZINC000102652998 630192402 /nfs/dbraw/zinc/19/24/02/630192402.db2.gz FKGMKKXSXJNKCL-CYBMUJFWSA-N 1 0 313.397 3.319 20 10 DGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cc2n(n1)CCC2 ZINC000840722717 630352550 /nfs/dbraw/zinc/35/25/50/630352550.db2.gz KHQOQGAHSIGKGP-LLVKDONJSA-N 1 0 308.476 3.119 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000840759823 630356154 /nfs/dbraw/zinc/35/61/54/630356154.db2.gz OBLQMWGJRPFDGZ-LBPRGKRZSA-N 1 0 312.404 3.326 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000840759822 630356235 /nfs/dbraw/zinc/35/62/35/630356235.db2.gz OBLQMWGJRPFDGZ-GFCCVEGCSA-N 1 0 312.404 3.326 20 10 DGCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000840824464 630362676 /nfs/dbraw/zinc/36/26/76/630362676.db2.gz NDDUKHJIOKNXHU-AYOQOUSVSA-N 1 0 318.461 3.131 20 10 DGCDRO COc1ccccc1[C@H](O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840882455 630371826 /nfs/dbraw/zinc/37/18/26/630371826.db2.gz OHHUSJRUTXLLEP-MRXNPFEDSA-N 1 0 321.804 3.186 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000840892666 630373845 /nfs/dbraw/zinc/37/38/45/630373845.db2.gz BWXKOLOGXKHLFU-LZLYRXPVSA-N 1 0 304.478 3.397 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1 ZINC000840892793 630373863 /nfs/dbraw/zinc/37/38/63/630373863.db2.gz DEYZJTAKCSDNMA-IEZWGBDMSA-N 1 0 304.478 3.397 20 10 DGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840895341 630374261 /nfs/dbraw/zinc/37/42/61/630374261.db2.gz XEUKTUVSURVOHA-LSDHHAIUSA-N 1 0 314.477 3.385 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000840899141 630374516 /nfs/dbraw/zinc/37/45/16/630374516.db2.gz ZHXCXVGOKGNZED-RDJZCZTQSA-N 1 0 312.388 3.387 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000840933407 630380165 /nfs/dbraw/zinc/38/01/65/630380165.db2.gz FDHUMYOWLPJBFT-FQEVSTJZSA-N 1 0 310.441 3.465 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000840937665 630380746 /nfs/dbraw/zinc/38/07/46/630380746.db2.gz VSTACABXLUCFPK-YOEHRIQHSA-N 1 0 302.418 3.256 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000840934594 630380820 /nfs/dbraw/zinc/38/08/20/630380820.db2.gz UIRDFXSQPFRTCS-SFHVURJKSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CC(CO)(c3ccccc3)C2)c(Cl)c1 ZINC000840969664 630388747 /nfs/dbraw/zinc/38/87/47/630388747.db2.gz HNAKRQJRTAUIRU-UHFFFAOYSA-N 1 0 317.816 3.100 20 10 DGCDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000840970195 630388770 /nfs/dbraw/zinc/38/87/70/630388770.db2.gz RDBBYBONZIRLIM-AWEZNQCLSA-N 1 0 306.425 3.283 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(F)nc1 ZINC000840975372 630389458 /nfs/dbraw/zinc/38/94/58/630389458.db2.gz GNRJIMHYACMWSP-AWEZNQCLSA-N 1 0 301.409 3.316 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnc2ccccn12 ZINC000840977722 630390164 /nfs/dbraw/zinc/39/01/64/630390164.db2.gz XIZJCOOQGCBALI-INIZCTEOSA-N 1 0 322.456 3.430 20 10 DGCDRO CCCC[C@@H](CN)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000841028662 630397752 /nfs/dbraw/zinc/39/77/52/630397752.db2.gz GHUFQUMGHDKAIZ-ZDUSSCGKSA-N 1 0 315.255 3.070 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000841032931 630399413 /nfs/dbraw/zinc/39/94/13/630399413.db2.gz HSYAALKZYOENQK-VHSXEESVSA-N 1 0 303.233 3.177 20 10 DGCDRO COc1cc(C[NH2+]CCc2ccc(N)cc2)cc(Cl)c1OC ZINC000841035074 630399928 /nfs/dbraw/zinc/39/99/28/630399928.db2.gz FESZOOTVKZWLFD-UHFFFAOYSA-N 1 0 320.820 3.272 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000841037179 630400048 /nfs/dbraw/zinc/40/00/48/630400048.db2.gz YYBGEDFZLWCHNS-LAUBAEHRSA-N 1 0 323.484 3.454 20 10 DGCDRO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044573 630401467 /nfs/dbraw/zinc/40/14/67/630401467.db2.gz DIJWMNZSZNUVFA-OXJNMPFZSA-N 1 0 311.473 3.363 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cncc3ccccc32)cc1 ZINC000841045685 630401855 /nfs/dbraw/zinc/40/18/55/630401855.db2.gz OFXJBHXSPFSDDZ-FQEVSTJZSA-N 1 0 320.440 3.090 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(F)c(Cl)c2)cc1 ZINC000841045587 630401926 /nfs/dbraw/zinc/40/19/26/630401926.db2.gz NJCWJURJJQBZGG-QGZVFWFLSA-N 1 0 321.827 3.335 20 10 DGCDRO C[NH2+]Cc1ccc(NCc2cc(Cl)cc(OC)c2O)cc1 ZINC000841070412 630404394 /nfs/dbraw/zinc/40/43/94/630404394.db2.gz DCURFPZVLPLVOM-UHFFFAOYSA-N 1 0 306.793 3.386 20 10 DGCDRO CCOc1ccc(O)c(CN2C[C@H](C)[NH2+]Cc3ccccc32)c1 ZINC000841089211 630406832 /nfs/dbraw/zinc/40/68/32/630406832.db2.gz JANZLZBFIOIBRP-AWEZNQCLSA-N 1 0 312.413 3.289 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841765019 630463205 /nfs/dbraw/zinc/46/32/05/630463205.db2.gz TUMPNTDOZSOLEH-PIGZYNQJSA-N 1 0 321.804 3.438 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC(OC3CCC3)CC2)c(O)c1 ZINC000841888294 630473209 /nfs/dbraw/zinc/47/32/09/630473209.db2.gz HHPXDBLRZANMMJ-UHFFFAOYSA-N 1 0 305.418 3.324 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](CO)CC2CCCCC2)c1O ZINC000841893864 630474006 /nfs/dbraw/zinc/47/40/06/630474006.db2.gz PWRBPSKJMHMIBQ-INIZCTEOSA-N 1 0 307.434 3.212 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCSC[C@@H]2C2CCC2)cc1OC ZINC000841893046 630474015 /nfs/dbraw/zinc/47/40/15/630474015.db2.gz CQJQNLJHGREZHM-CQSZACIVSA-N 1 0 323.458 3.127 20 10 DGCDRO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000841897076 630474765 /nfs/dbraw/zinc/47/47/65/630474765.db2.gz TYMGXWPBQKZPNP-INIZCTEOSA-N 1 0 316.376 3.278 20 10 DGCDRO CCCC[C@@H](C[NH3+])NC(=O)N(CCCC)Cc1ccccc1O ZINC000841958819 630477221 /nfs/dbraw/zinc/47/72/21/630477221.db2.gz TUDFDZNUFDCEFK-INIZCTEOSA-N 1 0 321.465 3.221 20 10 DGCDRO CC(=O)c1cc(F)cc(CN(C)C(C)(C)C[NH+]2CCCC2)c1O ZINC000842171568 630501820 /nfs/dbraw/zinc/50/18/20/630501820.db2.gz OAGNBWIWVYTJLH-UHFFFAOYSA-N 1 0 322.424 3.040 20 10 DGCDRO CC(C)[C@@H](O)C1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000842207631 630505530 /nfs/dbraw/zinc/50/55/30/630505530.db2.gz OOHVKDZCGYKJDY-DUMMIQTOSA-N 1 0 302.462 3.153 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c(O)cc1C ZINC000842613589 630553410 /nfs/dbraw/zinc/55/34/10/630553410.db2.gz CXLUGZLLEHOIGS-HOCLYGCPSA-N 1 0 305.418 3.100 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1O ZINC000842617302 630554395 /nfs/dbraw/zinc/55/43/95/630554395.db2.gz OVWZZTCNGUWKSB-KRWDZBQOSA-N 1 0 313.397 3.363 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)cc1C ZINC000842621969 630554563 /nfs/dbraw/zinc/55/45/63/630554563.db2.gz FNTQLKGWOMARRR-HXUWFJFHSA-N 1 0 311.425 3.275 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000842726232 630568159 /nfs/dbraw/zinc/56/81/59/630568159.db2.gz DDNSJVNIXJRAEH-LBPRGKRZSA-N 1 0 317.410 3.044 20 10 DGCDRO Oc1ccccc1C[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000842729141 630568672 /nfs/dbraw/zinc/56/86/72/630568672.db2.gz GZQYWHSPQPRTIT-CQSZACIVSA-N 1 0 301.411 3.425 20 10 DGCDRO Cc1cccc2nc(CC[NH2+]Cc3ccc(N(C)C)cc3)cn21 ZINC000842782312 630575637 /nfs/dbraw/zinc/57/56/37/630575637.db2.gz IRBYAMSPJXBDBQ-UHFFFAOYSA-N 1 0 308.429 3.041 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC000842891876 630590623 /nfs/dbraw/zinc/59/06/23/630590623.db2.gz XHLSJBCQZPOKNA-GFCCVEGCSA-N 1 0 319.307 3.491 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)c2ccccc2F)c1 ZINC000842922801 630593463 /nfs/dbraw/zinc/59/34/63/630593463.db2.gz DTEDZQMNRIIDEX-PXAZEXFGSA-N 1 0 319.376 3.314 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000842929687 630595028 /nfs/dbraw/zinc/59/50/28/630595028.db2.gz RATPUXZZPKSVER-MGPQQGTHSA-N 1 0 324.852 3.005 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000843047987 630608545 /nfs/dbraw/zinc/60/85/45/630608545.db2.gz GDXYAKHFROVLAG-RTBURBONSA-N 1 0 301.478 3.168 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc2ccccc2[nH]c1=O ZINC000843057152 630609320 /nfs/dbraw/zinc/60/93/20/630609320.db2.gz FGXJUGYPIYVITK-UHFFFAOYSA-N 1 0 319.408 3.352 20 10 DGCDRO Cc1cccn2c(CN3CCCc4cc(C[NH3+])ccc43)cnc12 ZINC000843058381 630609767 /nfs/dbraw/zinc/60/97/67/630609767.db2.gz QISLMAWGXSUSNW-UHFFFAOYSA-N 1 0 306.413 3.054 20 10 DGCDRO CCc1nn(C)c(Cl)c1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058580 630609870 /nfs/dbraw/zinc/60/98/70/630609870.db2.gz VMMOHOKNCQUEMO-UHFFFAOYSA-N 1 0 318.852 3.047 20 10 DGCDRO CC(C)c1noc([C@@H](C)N2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843349811 630648826 /nfs/dbraw/zinc/64/88/26/630648826.db2.gz DMBPQKVOQMKQNN-GFCCVEGCSA-N 1 0 300.406 3.166 20 10 DGCDRO Cc1cccc(NC(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350238 630648862 /nfs/dbraw/zinc/64/88/62/630648862.db2.gz QOHYDMNZBBBCQV-HNNXBMFYSA-N 1 0 323.440 3.234 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c(O)c1 ZINC000843417080 630654131 /nfs/dbraw/zinc/65/41/31/630654131.db2.gz OWYDAMCQMQWXSM-RDJZCZTQSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CSc3ccccc3O2)c1 ZINC000843418735 630654800 /nfs/dbraw/zinc/65/48/00/630654800.db2.gz XQJRQRLNSLBTJW-AWEZNQCLSA-N 1 0 317.410 3.044 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1F ZINC000843418218 630654845 /nfs/dbraw/zinc/65/48/45/630654845.db2.gz ZGDBJQBKPXGKMV-RDJZCZTQSA-N 1 0 306.425 3.283 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1(CO)CC=CC1 ZINC000843432404 630658370 /nfs/dbraw/zinc/65/83/70/630658370.db2.gz DCNFDTHMZLXYLK-GOSISDBHSA-N 1 0 301.430 3.064 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c(O)c1 ZINC000843432384 630658406 /nfs/dbraw/zinc/65/84/06/630658406.db2.gz CKYPASRAQLECJN-GOSISDBHSA-N 1 0 319.445 3.234 20 10 DGCDRO Cc1ncsc1C[NH2+]Cc1cc(Br)ccc1O ZINC000105494228 630718872 /nfs/dbraw/zinc/71/88/72/630718872.db2.gz RJEYJUFAXQBADC-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1CC[NH3+] ZINC000844900686 630970306 /nfs/dbraw/zinc/97/03/06/630970306.db2.gz CQEYFWAGPMEDNQ-MFKMUULPSA-N 1 0 300.805 3.134 20 10 DGCDRO COc1ccc(F)c(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000845973281 631204282 /nfs/dbraw/zinc/20/42/82/631204282.db2.gz YEYXSJISHZMNAY-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccn(C(C)C)n2)c1 ZINC000845973095 631204338 /nfs/dbraw/zinc/20/43/38/631204338.db2.gz XAYNPNWYUCMRFI-ZIAGYGMSSA-N 1 0 317.433 3.460 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000846056261 631208618 /nfs/dbraw/zinc/20/86/18/631208618.db2.gz RYXGEGOCWHWGCM-ZYHUDNBSSA-N 1 0 309.715 3.245 20 10 DGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118763 631210729 /nfs/dbraw/zinc/21/07/29/631210729.db2.gz YVRAZANMWUPEJS-GFCCVEGCSA-N 1 0 318.161 3.386 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccccc2F)c1O ZINC000846136490 631211400 /nfs/dbraw/zinc/21/14/00/631211400.db2.gz IXYLUIRHRMUDTO-GFCCVEGCSA-N 1 0 305.349 3.270 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccccc2OC)c1O ZINC000846139013 631211481 /nfs/dbraw/zinc/21/14/81/631211481.db2.gz ZMWZUFLZZYJMMO-CYBMUJFWSA-N 1 0 317.385 3.139 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1O ZINC000846141986 631211705 /nfs/dbraw/zinc/21/17/05/631211705.db2.gz PRDQTVPKRMWUEC-LBPRGKRZSA-N 1 0 318.392 3.457 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c1O ZINC000846143440 631211758 /nfs/dbraw/zinc/21/17/58/631211758.db2.gz BTNFWBKSJXKJCA-RYUDHWBXSA-N 1 0 317.433 3.033 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCCCNc2ccccn2)c1O ZINC000846143764 631211875 /nfs/dbraw/zinc/21/18/75/631211875.db2.gz HHFTVXWREBXZBR-CQSZACIVSA-N 1 0 315.417 3.339 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccnc(SC)c2)c1O ZINC000846145992 631212022 /nfs/dbraw/zinc/21/20/22/631212022.db2.gz FAUZEAIMUDVREU-NSHDSACASA-N 1 0 304.415 3.369 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccco2)c1O ZINC000846151402 631212309 /nfs/dbraw/zinc/21/23/09/631212309.db2.gz XTDRSYGKEYJPLL-MBNYWOFBSA-N 1 0 305.374 3.157 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)c1O ZINC000846151349 631212311 /nfs/dbraw/zinc/21/23/11/631212311.db2.gz WVVBTJRTZOQGQT-LLVKDONJSA-N 1 0 306.793 3.343 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)c2sccc2C)c1O ZINC000846155232 631212510 /nfs/dbraw/zinc/21/25/10/631212510.db2.gz RXUCHGUSOZQZPY-YPMHNXCESA-N 1 0 307.415 3.155 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@H]2O)c1O ZINC000846156915 631212527 /nfs/dbraw/zinc/21/25/27/631212527.db2.gz PWPLGXOMKPXPPE-OFQRWUPVSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ncccc2Cl)c1O ZINC000846153488 631212639 /nfs/dbraw/zinc/21/26/39/631212639.db2.gz IUJHCLOXGSRYEE-LLVKDONJSA-N 1 0 322.792 3.179 20 10 DGCDRO COCC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccco1 ZINC000846166493 631213241 /nfs/dbraw/zinc/21/32/41/631213241.db2.gz XWJFIUSIAHFIQQ-GXTWGEPZSA-N 1 0 305.374 3.422 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](Cc2ccccc2)OC)c1O ZINC000846170993 631213497 /nfs/dbraw/zinc/21/34/97/631213497.db2.gz QELUIJLZQXRHIE-HOCLYGCPSA-N 1 0 315.413 3.309 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)c1 ZINC000846181536 631213758 /nfs/dbraw/zinc/21/37/58/631213758.db2.gz ZSVJUXTVLXNTHA-MGPUTAFESA-N 1 0 311.425 3.228 20 10 DGCDRO CCN1C[C@H](C[NH2+][C@H](C)c2ccc3ccccc3c2O)CC1=O ZINC000846209999 631214904 /nfs/dbraw/zinc/21/49/04/631214904.db2.gz VFWNSIZUCXRGIQ-KGLIPLIRSA-N 1 0 312.413 3.064 20 10 DGCDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc2ccccc2c1O ZINC000846211912 631215083 /nfs/dbraw/zinc/21/50/83/631215083.db2.gz ISAONSJKMQOKHG-AUUYWEPGSA-N 1 0 315.413 3.128 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])c1O ZINC000846226376 631215575 /nfs/dbraw/zinc/21/55/75/631215575.db2.gz LSUNYZQWXQGEQJ-BDJLRTHQSA-N 1 0 324.852 3.198 20 10 DGCDRO CCCC[N@H+](CCCc1cncn1C)Cc1ccccc1O ZINC000846894140 631344187 /nfs/dbraw/zinc/34/41/87/631344187.db2.gz RIUYIVXPDOZUQB-UHFFFAOYSA-N 1 0 301.434 3.361 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1ccc(N2CCOCC2)cc1 ZINC000848526614 631677836 /nfs/dbraw/zinc/67/78/36/631677836.db2.gz CFNCJTIJEVIVFB-VYDXJSESSA-N 1 0 320.502 3.458 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCn2ccnc21 ZINC000848554341 631690309 /nfs/dbraw/zinc/69/03/09/631690309.db2.gz YROQALIMEGJDPL-YJBOKZPZSA-N 1 0 312.461 3.313 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c1O ZINC000848560701 631693023 /nfs/dbraw/zinc/69/30/23/631693023.db2.gz QEBKDESEMIYJFF-RDJZCZTQSA-N 1 0 305.418 3.228 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000848568695 631696676 /nfs/dbraw/zinc/69/66/76/631696676.db2.gz OQBMUPNFLMXWMB-IPELMVKDSA-N 1 0 301.478 3.420 20 10 DGCDRO CCc1cccc(C[N@H+](C)Cc2ccc(OC)c(O)c2)c1O ZINC000848882949 631769245 /nfs/dbraw/zinc/76/92/45/631769245.db2.gz DYFSWTVOQSQEEK-UHFFFAOYSA-N 1 0 301.386 3.301 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cccc(OC)c2OC)c1O ZINC000848894557 631775673 /nfs/dbraw/zinc/77/56/73/631775673.db2.gz NFJGQURPKLJKIR-UHFFFAOYSA-N 1 0 301.386 3.262 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2cc(OC)ccc2OC)c1O ZINC000848894244 631775895 /nfs/dbraw/zinc/77/58/95/631775895.db2.gz HBBICVKJAREURC-UHFFFAOYSA-N 1 0 315.413 3.304 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(-n3ccnc3C)nc2)c1O ZINC000848895151 631776385 /nfs/dbraw/zinc/77/63/85/631776385.db2.gz RFABLYUQFGXVEG-UHFFFAOYSA-N 1 0 322.412 3.134 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1O ZINC000848895522 631776847 /nfs/dbraw/zinc/77/68/47/631776847.db2.gz VYUMBFWJESZKBI-OAHLLOKOSA-N 1 0 317.404 3.035 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1O ZINC000848897614 631777779 /nfs/dbraw/zinc/77/77/79/631777779.db2.gz KJHHVKLWGVVDEO-GOSISDBHSA-N 1 0 303.402 3.162 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1O ZINC000848900137 631778260 /nfs/dbraw/zinc/77/82/60/631778260.db2.gz YALULSJFLXEKCA-MRXNPFEDSA-N 1 0 304.478 3.412 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1O ZINC000848899492 631778736 /nfs/dbraw/zinc/77/87/36/631778736.db2.gz OZLKSUXDUMISOK-MRXNPFEDSA-N 1 0 321.486 3.489 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1O ZINC000848900135 631778836 /nfs/dbraw/zinc/77/88/36/631778836.db2.gz YALULSJFLXEKCA-INIZCTEOSA-N 1 0 304.478 3.412 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000848926063 631790575 /nfs/dbraw/zinc/79/05/75/631790575.db2.gz KPMVDLJABAPHGX-CQSZACIVSA-N 1 0 306.450 3.128 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1O ZINC000848927797 631790792 /nfs/dbraw/zinc/79/07/92/631790792.db2.gz NUFZOEKVJKYSIN-CABCVRRESA-N 1 0 324.852 3.161 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848927647 631790919 /nfs/dbraw/zinc/79/09/19/631790919.db2.gz JOKFUSKURGAJAO-RTBURBONSA-N 1 0 301.478 3.168 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000848929762 631792440 /nfs/dbraw/zinc/79/24/40/631792440.db2.gz ZTLWMEBIJNFFSP-AWEZNQCLSA-N 1 0 305.418 3.324 20 10 DGCDRO COc1cc(C[NH2+]Cc2cc(C)n[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850151450 632065868 /nfs/dbraw/zinc/06/58/68/632065868.db2.gz ZSDKMKYFKHIMCX-UHFFFAOYSA-N 1 0 303.406 3.020 20 10 DGCDRO CC[C@@]1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCOC1 ZINC000850275111 632100666 /nfs/dbraw/zinc/10/06/66/632100666.db2.gz QBMJYASROCKMRC-GOSISDBHSA-N 1 0 307.434 3.357 20 10 DGCDRO COc1cc(C[NH2+]CC2=CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850300042 632107817 /nfs/dbraw/zinc/10/78/17/632107817.db2.gz CSUQUCVTNLSRSM-UHFFFAOYSA-N 1 0 305.418 3.135 20 10 DGCDRO COCC[C@@H](C)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850324324 632114303 /nfs/dbraw/zinc/11/43/03/632114303.db2.gz JRQHROBPFRUIBA-CYBMUJFWSA-N 1 0 309.450 3.461 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)nc3)C2)cc1 ZINC000850346462 632120125 /nfs/dbraw/zinc/12/01/25/632120125.db2.gz GEDSFAUVINCNKC-CQSZACIVSA-N 1 0 317.820 3.112 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(C)ccc3O)C2)cc1 ZINC000850346614 632120276 /nfs/dbraw/zinc/12/02/76/632120276.db2.gz HVWWTICBHOFIOZ-MRXNPFEDSA-N 1 0 312.413 3.078 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cncc(F)c3)C2)cc1 ZINC000850347335 632120979 /nfs/dbraw/zinc/12/09/79/632120979.db2.gz QJWXYMCDMPZMCL-CZUORRHYSA-N 1 0 315.392 3.159 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)cc1 ZINC000850377276 632131218 /nfs/dbraw/zinc/13/12/18/632131218.db2.gz AAZJLGRXRCMOGC-ICSRJNTNSA-N 1 0 310.441 3.415 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000850388279 632135941 /nfs/dbraw/zinc/13/59/41/632135941.db2.gz KQSZXONWBVNWOT-OALUTQOASA-N 1 0 309.409 3.452 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)o3)cc2)CC1 ZINC000850406201 632142533 /nfs/dbraw/zinc/14/25/33/632142533.db2.gz XEBIFWXBSPOEDS-UHFFFAOYSA-N 1 0 320.820 3.184 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1 ZINC000850409121 632143028 /nfs/dbraw/zinc/14/30/28/632143028.db2.gz LFTSOCIZPJGALB-QXAKKESOSA-N 1 0 313.372 3.358 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c1O ZINC000850412264 632144345 /nfs/dbraw/zinc/14/43/45/632144345.db2.gz VICIHGLBJAZJGX-PBHICJAKSA-N 1 0 315.413 3.045 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCCSCC2)ccc1N1CCOCC1 ZINC000850424452 632148650 /nfs/dbraw/zinc/14/86/50/632148650.db2.gz KJQUSXXITCYBPB-HNNXBMFYSA-N 1 0 324.465 3.038 20 10 DGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)CCC1 ZINC000850425065 632148782 /nfs/dbraw/zinc/14/87/82/632148782.db2.gz PXFDVLYUKHPRNI-HNNXBMFYSA-N 1 0 320.502 3.287 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCCC23CC3)ccc1N1CCOCC1 ZINC000850425925 632149626 /nfs/dbraw/zinc/14/96/26/632149626.db2.gz XXWYERFGKAYUSL-QGZVFWFLSA-N 1 0 304.409 3.085 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C(F)(F)F)nc2)c1 ZINC000850485304 632167112 /nfs/dbraw/zinc/16/71/12/632167112.db2.gz DIHMSUITJIRFKN-SNVBAGLBSA-N 1 0 311.307 3.360 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccncc1 ZINC000850488865 632168182 /nfs/dbraw/zinc/16/81/82/632168182.db2.gz VKROJCFGKRFYNT-APWZRJJASA-N 1 0 311.429 3.410 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000850488136 632168641 /nfs/dbraw/zinc/16/86/41/632168641.db2.gz QKIAABOQFKMGCE-SNRMKQJTSA-N 1 0 300.446 3.442 20 10 DGCDRO CC[C@H]([NH2+][C@H](COC)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000850491697 632169955 /nfs/dbraw/zinc/16/99/55/632169955.db2.gz ILJZLHPBVQDPLK-RBUKOAKNSA-N 1 0 320.477 3.235 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1 ZINC000850501491 632173194 /nfs/dbraw/zinc/17/31/94/632173194.db2.gz NFXQZQFZKLKQEA-CZMAPVLFSA-N 1 0 322.518 3.483 20 10 DGCDRO C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1cc(F)ccc1O ZINC000850501986 632173431 /nfs/dbraw/zinc/17/34/31/632173431.db2.gz QUHGDFKEJAOBNK-ZDUSSCGKSA-N 1 0 315.392 3.377 20 10 DGCDRO COC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccc(OC)c1 ZINC000850512785 632175670 /nfs/dbraw/zinc/17/56/70/632175670.db2.gz BACIKKPNOQVUCH-IRXDYDNUSA-N 1 0 313.397 3.365 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000850514755 632176640 /nfs/dbraw/zinc/17/66/40/632176640.db2.gz QGTLSLVDHYAAAD-DLOVCJGASA-N 1 0 314.223 3.373 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C1(CO)CC1 ZINC000850516119 632177275 /nfs/dbraw/zinc/17/72/75/632177275.db2.gz JRWHKVRGMLHTQK-JKSUJKDBSA-N 1 0 302.462 3.489 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c1O ZINC000850520869 632178152 /nfs/dbraw/zinc/17/81/52/632178152.db2.gz HWRGGOMVHRMPGK-BXKDBHETSA-N 1 0 305.752 3.429 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000850544676 632187842 /nfs/dbraw/zinc/18/78/42/632187842.db2.gz IKGAPNINGDSPRT-ZFWWWQNUSA-N 1 0 303.446 3.330 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cc2c(cc1O)CCCC2 ZINC000850547771 632189101 /nfs/dbraw/zinc/18/91/01/632189101.db2.gz WAFZDMJSCDSHDO-RZAIGCCYSA-N 1 0 301.430 3.225 20 10 DGCDRO C[C@@H]([NH2+]CC1=CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850558453 632192991 /nfs/dbraw/zinc/19/29/91/632192991.db2.gz XIJSYCOYRAGBLG-CQSZACIVSA-N 1 0 304.409 3.423 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(C)cc1O ZINC000850563382 632195729 /nfs/dbraw/zinc/19/57/29/632195729.db2.gz XCJPOEAHLOGZEP-LPHOPBHVSA-N 1 0 321.461 3.309 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(C)cc1O ZINC000850563383 632195760 /nfs/dbraw/zinc/19/57/60/632195760.db2.gz XCJPOEAHLOGZEP-QFBILLFUSA-N 1 0 321.461 3.309 20 10 DGCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565910 632196547 /nfs/dbraw/zinc/19/65/47/632196547.db2.gz JQHSYDRHADMLKN-APWZRJJASA-N 1 0 302.462 3.316 20 10 DGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567968 632196704 /nfs/dbraw/zinc/19/67/04/632196704.db2.gz MXIUSVJEZKAUJF-RBUKOAKNSA-N 1 0 302.462 3.172 20 10 DGCDRO C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000850572864 632198140 /nfs/dbraw/zinc/19/81/40/632198140.db2.gz HDKNMGRVAQBVGC-OAHLLOKOSA-N 1 0 317.477 3.229 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1nccn1C ZINC000850573364 632198222 /nfs/dbraw/zinc/19/82/22/632198222.db2.gz YNMBIXGAZCLJCU-UWVGGRQHSA-N 1 0 324.222 3.300 20 10 DGCDRO CC[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccccc1O ZINC000850573055 632198569 /nfs/dbraw/zinc/19/85/69/632198569.db2.gz ISGZBUODQSCMEC-OAHLLOKOSA-N 1 0 304.434 3.259 20 10 DGCDRO C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1[O-] ZINC000850583755 632201819 /nfs/dbraw/zinc/20/18/19/632201819.db2.gz OTVWAHNWVVKFLT-CYBMUJFWSA-N 1 0 306.425 3.304 20 10 DGCDRO CCc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)cc1 ZINC000109769849 632316213 /nfs/dbraw/zinc/31/62/13/632316213.db2.gz DIUVNFQKEMPESI-AWEZNQCLSA-N 1 0 312.413 3.414 20 10 DGCDRO Cc1ccc2c(C[N@H+](C)Cc3ccccc3O)cc(=O)oc2c1 ZINC000109768843 632316516 /nfs/dbraw/zinc/31/65/16/632316516.db2.gz YXMDOBWXGNIOLL-UHFFFAOYSA-N 1 0 309.365 3.439 20 10 DGCDRO C[C@H]([NH2+]CC=C(Cl)Cl)c1ccc(N2CCOCC2)cc1 ZINC000851895110 632516754 /nfs/dbraw/zinc/51/67/54/632516754.db2.gz BUYAEILYJACMLV-LBPRGKRZSA-N 1 0 315.244 3.493 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)ccc1N1CCCCC1 ZINC000852536478 632619500 /nfs/dbraw/zinc/61/95/00/632619500.db2.gz VAQPZZFUQVHIAS-UYAOXDASSA-N 1 0 314.473 3.454 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000185024011 660198509 /nfs/dbraw/zinc/19/85/09/660198509.db2.gz LTINEIPKWMNXIG-KKUMJFAQSA-N 1 0 306.450 3.172 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c(O)c1 ZINC000185353883 660218345 /nfs/dbraw/zinc/21/83/45/660218345.db2.gz LVYOHRIPLRLYPF-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2sc(C)nc2C)c1 ZINC000185402798 660221741 /nfs/dbraw/zinc/22/17/41/660221741.db2.gz GYBHXOAAEWXVSC-SNVBAGLBSA-N 1 0 306.431 3.367 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000083475229 660284620 /nfs/dbraw/zinc/28/46/20/660284620.db2.gz BJBXVWZKXRFDAW-UHFFFAOYSA-N 1 0 321.465 3.146 20 10 DGCDRO CCO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000701661682 660677738 /nfs/dbraw/zinc/67/77/38/660677738.db2.gz OYCVQCVZRCVHGP-ZDUSSCGKSA-N 1 0 314.223 3.074 20 10 DGCDRO CC[C@H]([NH2+]CCOCCF)c1cc(Br)ccc1O ZINC000705781130 660838712 /nfs/dbraw/zinc/83/87/12/660838712.db2.gz PPUUVBUPWLJONJ-LBPRGKRZSA-N 1 0 320.202 3.182 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)c1cc(Br)ccc1O ZINC000706545271 660864809 /nfs/dbraw/zinc/86/48/09/660864809.db2.gz HBDRIIQTLLBZAZ-NQBHXWOUSA-N 1 0 314.223 3.373 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]C1Cc2ccccc2C1 ZINC000706808341 660873330 /nfs/dbraw/zinc/87/33/30/660873330.db2.gz JTOZTQNBPZYDFB-UHFFFAOYSA-N 1 0 318.214 3.412 20 10 DGCDRO CCC[C@@H](C[NH2+]Cc1c(O)cccc1Br)OCC ZINC000706808068 660873461 /nfs/dbraw/zinc/87/34/61/660873461.db2.gz OZZXYIJNUIJMKK-NSHDSACASA-N 1 0 316.239 3.450 20 10 DGCDRO COC1(CC[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000706885313 660879388 /nfs/dbraw/zinc/87/93/88/660879388.db2.gz XISJAULVKMGPDK-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO COC(C)(C)CC[NH2+]Cc1c(O)cccc1Br ZINC000711828463 660963903 /nfs/dbraw/zinc/96/39/03/660963903.db2.gz YVIHMZUZVMVCIW-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000793074962 661003722 /nfs/dbraw/zinc/00/37/22/661003722.db2.gz VGCXFUBAIZGPRT-GFCCVEGCSA-N 1 0 316.367 3.288 20 10 DGCDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000792939398 660995587 /nfs/dbraw/zinc/99/55/87/660995587.db2.gz JFUKMDHFDWOLRY-UHFFFAOYSA-N 1 0 318.461 3.356 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c(C(F)(F)F)c1 ZINC000793095093 661004741 /nfs/dbraw/zinc/00/47/41/661004741.db2.gz YJHHJBVLCKBTGO-UONOGXRCSA-N 1 0 316.367 3.020 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(SC)c(OC)c2)c(O)c1 ZINC000793385596 661028889 /nfs/dbraw/zinc/02/88/89/661028889.db2.gz CLZZOINSGOUGQS-UHFFFAOYSA-N 1 0 319.426 3.421 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccnn2-c2ccccc2C)c(O)c1 ZINC000793388131 661029279 /nfs/dbraw/zinc/02/92/79/661029279.db2.gz MSIRKONJIADAME-UHFFFAOYSA-N 1 0 323.396 3.185 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@](C)(O)CC3)c2c1 ZINC000794667744 661097382 /nfs/dbraw/zinc/09/73/82/661097382.db2.gz PJXIXMZTNRBARU-LJQANCHMSA-N 1 0 315.413 3.291 20 10 DGCDRO CC[C@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1ccc(C)cc1O ZINC000794810878 661106583 /nfs/dbraw/zinc/10/65/83/661106583.db2.gz NDAMLLFRJKRHRR-WMZOPIPTSA-N 1 0 318.461 3.388 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(C)cc1O ZINC000794810547 661106629 /nfs/dbraw/zinc/10/66/29/661106629.db2.gz LUVWSAZWJZNEKO-PBHICJAKSA-N 1 0 303.402 3.186 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(C)cc1O ZINC000794810549 661106652 /nfs/dbraw/zinc/10/66/52/661106652.db2.gz LUVWSAZWJZNEKO-RHSMWYFYSA-N 1 0 303.402 3.186 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1C(C)C ZINC000795636681 661164504 /nfs/dbraw/zinc/16/45/04/661164504.db2.gz JNLUIXHAHIRMRE-LJQANCHMSA-N 1 0 319.445 3.205 20 10 DGCDRO CCOC[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000177630944 655605734 /nfs/dbraw/zinc/60/57/34/655605734.db2.gz XWTIBPYVDXJGRS-CYBMUJFWSA-N 1 0 307.434 3.254 20 10 DGCDRO CNC(=O)C[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000795852693 661176181 /nfs/dbraw/zinc/17/61/81/661176181.db2.gz RKCJWMSYDJJHOE-RHSMWYFYSA-N 1 0 312.413 3.229 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000798005704 661187199 /nfs/dbraw/zinc/18/71/99/661187199.db2.gz YRGNKTKLZZVZNC-KYNGSXCRSA-N 1 0 300.446 3.362 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](O)c2ccccc2)c1 ZINC000289538148 655874283 /nfs/dbraw/zinc/87/42/83/655874283.db2.gz WPMYQHOAVQNDJQ-CXAGYDPISA-N 1 0 301.386 3.175 20 10 DGCDRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2O)CCN1Cc1ccccc1 ZINC000309849990 655885270 /nfs/dbraw/zinc/88/52/70/655885270.db2.gz ZTJAVIMYEJJSHB-RDTXWAMCSA-N 1 0 314.404 3.284 20 10 DGCDRO C[C@@H]1CSCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000179661020 655910875 /nfs/dbraw/zinc/91/08/75/655910875.db2.gz OIPAQGVVWAGXHY-SECBINFHSA-N 1 0 302.237 3.092 20 10 DGCDRO COc1cccc(N2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000179565528 656008185 /nfs/dbraw/zinc/00/81/85/656008185.db2.gz HHHXAIRXMSNBLT-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1cc(F)ccc1O ZINC000716181095 661219668 /nfs/dbraw/zinc/21/96/68/661219668.db2.gz XSBMPXXFEYFZSO-RHSMWYFYSA-N 1 0 314.404 3.456 20 10 DGCDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180218040 656091618 /nfs/dbraw/zinc/09/16/18/656091618.db2.gz QRXSHMWOIAZCMZ-AWEZNQCLSA-N 1 0 324.396 3.020 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1cc(Br)ccc1O ZINC000716451935 661224285 /nfs/dbraw/zinc/22/42/85/661224285.db2.gz SBTNOHYECAKZBD-ZDUSSCGKSA-N 1 0 324.222 3.427 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000185469068 656126893 /nfs/dbraw/zinc/12/68/93/656126893.db2.gz MMCDUNGKCRKZNA-DINDLPBHSA-N 1 0 307.340 3.443 20 10 DGCDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185530549 656127047 /nfs/dbraw/zinc/12/70/47/656127047.db2.gz TYRKPMCVORRIKX-WFASDCNBSA-N 1 0 309.475 3.036 20 10 DGCDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185530571 656127101 /nfs/dbraw/zinc/12/71/01/656127101.db2.gz TYRKPMCVORRIKX-DOMZBBRYSA-N 1 0 309.475 3.036 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000190038297 656158636 /nfs/dbraw/zinc/15/86/36/656158636.db2.gz HJBWEDGEACTLQP-KBPBESRZSA-N 1 0 321.465 3.316 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(C)c(C)n2)c1O ZINC000313913486 656340427 /nfs/dbraw/zinc/34/04/27/656340427.db2.gz JDPLNVSRTBTRDN-UHFFFAOYSA-N 1 0 306.793 3.356 20 10 DGCDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093870950 656415842 /nfs/dbraw/zinc/41/58/42/656415842.db2.gz CAMAVNKXZJJEBI-MRXNPFEDSA-N 1 0 322.518 3.487 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000724925217 656530434 /nfs/dbraw/zinc/53/04/34/656530434.db2.gz JUODFVNZULHSHF-YPMHNXCESA-N 1 0 324.396 3.191 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1OC ZINC000236959987 657009739 /nfs/dbraw/zinc/00/97/39/657009739.db2.gz QPHYYJMYGRLAEM-UHFFFAOYSA-N 1 0 317.385 3.098 20 10 DGCDRO COc1cc(C[N@H+]2CCC[C@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC000178886588 657096989 /nfs/dbraw/zinc/09/69/89/657096989.db2.gz AJTWTLOHVHHZQC-AWEZNQCLSA-N 1 0 307.434 3.309 20 10 DGCDRO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000067382630 657356356 /nfs/dbraw/zinc/35/63/56/657356356.db2.gz CYQXSEAQVCNYAB-MRXNPFEDSA-N 1 0 318.461 3.172 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(Br)ccc1O ZINC000252769300 657631909 /nfs/dbraw/zinc/63/19/09/657631909.db2.gz SJROXWXYSKCPAT-KWBADKCTSA-N 1 0 316.239 3.355 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccco1 ZINC000305160444 657690849 /nfs/dbraw/zinc/69/08/49/657690849.db2.gz WWHXCYVSFLOVPT-OAHLLOKOSA-N 1 0 314.429 3.339 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C=C(C)C)[C@@H]2C)cc1C ZINC000985919228 657921815 /nfs/dbraw/zinc/92/18/15/657921815.db2.gz CLRMCYOZBIXQLH-WBVHZDCISA-N 1 0 316.445 3.049 20 10 DGCDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000237364042 658373788 /nfs/dbraw/zinc/37/37/88/658373788.db2.gz GHTUMSXTVDSBBQ-SJLPKXTDSA-N 1 0 302.462 3.439 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2COc3c(cccc3OC)C2)cc1C ZINC000237366452 658376533 /nfs/dbraw/zinc/37/65/33/658376533.db2.gz FFFPPXPESLJGLK-MRXNPFEDSA-N 1 0 313.397 3.106 20 10 DGCDRO CC[C@](C)(C[NH2+]Cc1cc(Br)ccc1O)OC ZINC000322751188 658568264 /nfs/dbraw/zinc/56/82/64/658568264.db2.gz CFKOMGMRXQJRDU-CYBMUJFWSA-N 1 0 302.212 3.059 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000164460962 658935392 /nfs/dbraw/zinc/93/53/92/658935392.db2.gz LRBOCKOYFBKFDB-JOCHJYFZSA-N 1 0 317.454 3.378 20 10 DGCDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000165118891 658967685 /nfs/dbraw/zinc/96/76/85/658967685.db2.gz ZXQOSRWRJLIZIW-INIZCTEOSA-N 1 0 318.461 3.124 20 10 DGCDRO C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000224495803 659019899 /nfs/dbraw/zinc/01/98/99/659019899.db2.gz BDHMMJPLPINFCF-CYBMUJFWSA-N 1 0 319.449 3.023 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000166283721 659023415 /nfs/dbraw/zinc/02/34/15/659023415.db2.gz BYFHATWNLSRRIA-QOKNQOGYSA-N 1 0 301.478 3.419 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000157533150 659065737 /nfs/dbraw/zinc/06/57/37/659065737.db2.gz BBRAOGWAPABVFZ-UHFFFAOYSA-N 1 0 312.413 3.113 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1C ZINC000059579606 659146768 /nfs/dbraw/zinc/14/67/68/659146768.db2.gz UMCKNEGCURXBMK-LJQANCHMSA-N 1 0 310.441 3.498 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccn1 ZINC000227434244 659154553 /nfs/dbraw/zinc/15/45/53/659154553.db2.gz QKXPRENHFVVHNL-JTQLQIEISA-N 1 0 307.191 3.401 20 10 DGCDRO CC(C)OCCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000228564698 659197507 /nfs/dbraw/zinc/19/75/07/659197507.db2.gz OPMNJBCBZNVYCP-UHFFFAOYSA-N 1 0 316.239 3.450 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2Cc3ccccc32)c1O ZINC000228673376 659202275 /nfs/dbraw/zinc/20/22/75/659202275.db2.gz GIJZTJDZPUWVND-LBPRGKRZSA-N 1 0 303.789 3.484 20 10 DGCDRO Cc1cc(O)c(CN2CCC[N@@H+](C3CCCC3)CC2)cc1C ZINC000172511488 659342003 /nfs/dbraw/zinc/34/20/03/659342003.db2.gz USCOEHWYJBKVDB-UHFFFAOYSA-N 1 0 302.462 3.459 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1C ZINC000174400704 659431897 /nfs/dbraw/zinc/43/18/97/659431897.db2.gz CAIJOVWGCGGVIN-QGZVFWFLSA-N 1 0 324.424 3.184 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000324210688 659625512 /nfs/dbraw/zinc/62/55/12/659625512.db2.gz NZJAIFYDVOMSMK-STQMWFEESA-N 1 0 324.428 3.334 20 10 DGCDRO CCC[N@H+](CC(=O)NCCC(C)(C)C)Cc1ccccc1O ZINC000075829112 659928572 /nfs/dbraw/zinc/92/85/72/659928572.db2.gz PWRHYMAAABMYQT-UHFFFAOYSA-N 1 0 306.450 3.157 20 10 DGCDRO Cc1cc(C(=O)NC[C@H](C)C[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000237573789 659930085 /nfs/dbraw/zinc/93/00/85/659930085.db2.gz KOVZFWHHTVJVGM-LLVKDONJSA-N 1 0 319.836 3.072 20 10 DGCDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000237579838 659930481 /nfs/dbraw/zinc/93/04/81/659930481.db2.gz GFZKRTIIWIRXKN-UHFFFAOYSA-N 1 0 319.836 3.215 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000179555048 659933433 /nfs/dbraw/zinc/93/34/33/659933433.db2.gz ZTGZPPOHGIBBKG-UHFFFAOYSA-N 1 0 314.404 3.239 20 10 DGCDRO COc1ccccc1OCC[N@H+](C)Cc1cccc(C)c1O ZINC000179761458 659940732 /nfs/dbraw/zinc/94/07/32/659940732.db2.gz CUZIJFBBVIQRMP-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179934661 659946669 /nfs/dbraw/zinc/94/66/69/659946669.db2.gz NXXHGTHJOFBLGB-AWEZNQCLSA-N 1 0 324.396 3.020 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cccc(O)c2)c1O ZINC000181580828 660008732 /nfs/dbraw/zinc/00/87/32/660008732.db2.gz WAKQCEQQTPAMHG-SNVBAGLBSA-N 1 0 303.333 3.290 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCCn2cccn2)c1 ZINC000182412496 660051907 /nfs/dbraw/zinc/05/19/07/660051907.db2.gz LVXAQKKUIDODMD-CQSZACIVSA-N 1 0 303.406 3.118 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c1 ZINC000182413590 660052198 /nfs/dbraw/zinc/05/21/98/660052198.db2.gz FSKOYQCTCAJJDP-GFCCVEGCSA-N 1 0 309.406 3.173 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000182461770 660054405 /nfs/dbraw/zinc/05/44/05/660054405.db2.gz QWSLVNXSXDNNKA-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO COc1cc(C[N@H+](C)C[C@@H](C)c2nccs2)c(O)cc1C ZINC000182836051 660084306 /nfs/dbraw/zinc/08/43/06/660084306.db2.gz QSWLZGCCJDRLOI-GFCCVEGCSA-N 1 0 306.431 3.401 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCCC(C)C ZINC000076074109 660086821 /nfs/dbraw/zinc/08/68/21/660086821.db2.gz PBBOXHAYCHEHCX-HNNXBMFYSA-N 1 0 306.450 3.155 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1ccccc1O ZINC000183455745 660113678 /nfs/dbraw/zinc/11/36/78/660113678.db2.gz NVHOTRRHDOFQAY-JKSUJKDBSA-N 1 0 310.441 3.490 20 10 DGCDRO C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000183485847 660117942 /nfs/dbraw/zinc/11/79/42/660117942.db2.gz ODDNMJLNILFHCZ-ZDUSSCGKSA-N 1 0 320.433 3.442 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000930216384 661379192 /nfs/dbraw/zinc/37/91/92/661379192.db2.gz GRRCVWFUAJSRLU-GZBFAFLISA-N 1 0 321.417 3.031 20 10 DGCDRO C[N@@H+](Cc1cc(Br)ccc1O)CC1CCOCC1 ZINC000156027228 661857044 /nfs/dbraw/zinc/85/70/44/661857044.db2.gz SFVDBXXZHPCBKW-UHFFFAOYSA-N 1 0 314.223 3.013 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCOC1 ZINC000157427611 661867441 /nfs/dbraw/zinc/86/74/41/661867441.db2.gz MGAGRHLGFWFEDR-HNAYVOBHSA-N 1 0 318.461 3.069 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cc1 ZINC000158249448 661870250 /nfs/dbraw/zinc/87/02/50/661870250.db2.gz VXWKNUJAXBEHHC-VQIMIIECSA-N 1 0 312.457 3.397 20 10 DGCDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000188351577 661927079 /nfs/dbraw/zinc/92/70/79/661927079.db2.gz WBFMUXMQPPTXKT-UHFFFAOYSA-N 1 0 314.385 3.192 20 10 DGCDRO CCN(CC)C(=O)C1([NH2+]Cc2cc(C)ccc2O)CCCCC1 ZINC000076868660 662003445 /nfs/dbraw/zinc/00/34/45/662003445.db2.gz KUBVYJULVGRTIA-UHFFFAOYSA-N 1 0 318.461 3.362 20 10 DGCDRO CCN(C)c1ccc(C[NH2+]CCCSc2nccs2)cn1 ZINC000191122383 662054939 /nfs/dbraw/zinc/05/49/39/662054939.db2.gz GKDWLFAMZDPRJL-UHFFFAOYSA-N 1 0 322.503 3.266 20 10 DGCDRO Cc1c[nH+]ccc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000191979279 662085106 /nfs/dbraw/zinc/08/51/06/662085106.db2.gz SIFIHTBKIBVCIB-UHFFFAOYSA-N 1 0 311.429 3.211 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)c1 ZINC000192445482 662098785 /nfs/dbraw/zinc/09/87/85/662098785.db2.gz SLTZZKASCBDBLG-OAHLLOKOSA-N 1 0 313.397 3.057 20 10 DGCDRO CCCN(Cc1nc2ccccc2n1C)c1ccc(C[NH3+])cc1 ZINC000194977199 662176461 /nfs/dbraw/zinc/17/64/61/662176461.db2.gz DTGMZOCFUDJWNI-UHFFFAOYSA-N 1 0 308.429 3.449 20 10 DGCDRO COc1ccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)cc1C ZINC000083475286 662195410 /nfs/dbraw/zinc/19/54/10/662195410.db2.gz XTSDBAUBNDOKJG-UHFFFAOYSA-N 1 0 322.449 3.397 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000090178140 662254964 /nfs/dbraw/zinc/25/49/64/662254964.db2.gz BHBJBERRFMVIRM-NVXWUHKLSA-N 1 0 317.477 3.193 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000090178139 662255142 /nfs/dbraw/zinc/25/51/42/662255142.db2.gz BHBJBERRFMVIRM-WBVHZDCISA-N 1 0 317.477 3.193 20 10 DGCDRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090726636 662273013 /nfs/dbraw/zinc/27/30/13/662273013.db2.gz MXJJVQYMFMZDIS-STQMWFEESA-N 1 0 312.454 3.064 20 10 DGCDRO CC[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000091929317 662324721 /nfs/dbraw/zinc/32/47/21/662324721.db2.gz AMKQKBVACASZFX-SNVBAGLBSA-N 1 0 314.223 3.395 20 10 DGCDRO COCCOc1cccc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000091956590 662325072 /nfs/dbraw/zinc/32/50/72/662325072.db2.gz CHIXLBONQRRXDF-UHFFFAOYSA-N 1 0 301.386 3.049 20 10 DGCDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092400966 662330504 /nfs/dbraw/zinc/33/05/04/662330504.db2.gz POQYSDVGYWMLRT-CVEARBPZSA-N 1 0 318.461 3.217 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCc3ccc(OC)cc3C2)c1O ZINC000092507674 662332431 /nfs/dbraw/zinc/33/24/31/662332431.db2.gz LXMFGLCBLVMJAA-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C(C1CC1)C1CC1 ZINC000092704042 662334543 /nfs/dbraw/zinc/33/45/43/662334543.db2.gz LHOJKGIAUKFDBM-UHFFFAOYSA-N 1 0 318.436 3.283 20 10 DGCDRO CC[N@H+](Cc1ccoc1)Cc1ccc(N2CCOCC2)cc1 ZINC000092935856 662339604 /nfs/dbraw/zinc/33/96/04/662339604.db2.gz JQWOWJZWABBYCB-UHFFFAOYSA-N 1 0 300.402 3.138 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000248531340 662351928 /nfs/dbraw/zinc/35/19/28/662351928.db2.gz XWFKHFQTLDZSAN-GRDNDAEWSA-N 1 0 303.446 3.473 20 10 DGCDRO Cc1cc(O)c(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1C ZINC000093387707 662354134 /nfs/dbraw/zinc/35/41/34/662354134.db2.gz DUXFGENRJFZPHA-IBGZPJMESA-N 1 0 311.425 3.491 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000093638359 662357493 /nfs/dbraw/zinc/35/74/93/662357493.db2.gz SFHKFGHQSDLPBZ-HXUWFJFHSA-N 1 0 309.409 3.375 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](N(C)C)C3)c2c1 ZINC000152323378 685094845 /nfs/dbraw/zinc/09/48/45/685094845.db2.gz BBMDHZDXAQSQLR-HNNXBMFYSA-N 1 0 314.429 3.080 20 10 DGCDRO Cc1nc2ccccc2n1CC[NH2+]Cc1c(O)cccc1Cl ZINC000378900700 685146281 /nfs/dbraw/zinc/14/62/81/685146281.db2.gz WQKOEELXWXOUDR-UHFFFAOYSA-N 1 0 315.804 3.494 20 10 DGCDRO CN(CCC[NH2+][C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000381773583 685160081 /nfs/dbraw/zinc/16/00/81/685160081.db2.gz UVQDKOLNMMMCPP-AWEZNQCLSA-N 1 0 320.433 3.226 20 10 DGCDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000382452245 685163337 /nfs/dbraw/zinc/16/33/37/685163337.db2.gz GIPKYDQFHHVTMQ-UKRRQHHQSA-N 1 0 320.433 3.175 20 10 DGCDRO CCCN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000389218093 685192871 /nfs/dbraw/zinc/19/28/71/685192871.db2.gz DNYQMKBKBDAUEE-SFHVURJKSA-N 1 0 301.478 3.251 20 10 DGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N(C)Cc1ccccc1 ZINC000390563190 685202871 /nfs/dbraw/zinc/20/28/71/685202871.db2.gz NOAYFQGKWSPEIF-MAUKXSAKSA-N 1 0 310.441 3.490 20 10 DGCDRO FC1(F)CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000390885391 685206903 /nfs/dbraw/zinc/20/69/03/685206903.db2.gz VUGXSHDFHBSAKS-MRXNPFEDSA-N 1 0 324.415 3.438 20 10 DGCDRO CCOCC(C)(C)C[NH2+]Cc1cc(Br)ccc1O ZINC000394071003 685220899 /nfs/dbraw/zinc/22/08/99/685220899.db2.gz RRORCRAWQPHFCP-UHFFFAOYSA-N 1 0 316.239 3.307 20 10 DGCDRO CC(C)OCC(C)(C)[NH2+]Cc1cc(Br)ccc1O ZINC000396389637 685227095 /nfs/dbraw/zinc/22/70/95/685227095.db2.gz RXZFXGMBHOYGMD-UHFFFAOYSA-N 1 0 316.239 3.448 20 10 DGCDRO CCN(CC)c1ccc(CNc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1 ZINC001577699652 1191912827 /nfs/dbraw/zinc/91/28/27/1191912827.db2.gz PZOPZKAUQHDZKZ-KRWDZBQOSA-N 1 0 324.472 3.356 20 10 DGCDRO CN(C(=O)c1cccc2c1CC[NH2+]C2)c1cccc2cccnc21 ZINC001578391669 1191941175 /nfs/dbraw/zinc/94/11/75/1191941175.db2.gz HUJZMOSYITZJNU-UHFFFAOYSA-N 1 0 317.392 3.157 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1ccc(F)c(F)c1 ZINC001578715698 1191952740 /nfs/dbraw/zinc/95/27/40/1191952740.db2.gz CNANDGHJKLHCCJ-UHFFFAOYSA-N 1 0 304.340 3.003 20 10 DGCDRO COc1ccccc1-c1cc(C[NH2+]Cc2ccc(N)cc2)on1 ZINC001579293409 1191972590 /nfs/dbraw/zinc/97/25/90/1191972590.db2.gz FCMVQPLYTBTCLL-UHFFFAOYSA-N 1 0 309.369 3.222 20 10 DGCDRO Cc1cc(C[NH3+])cc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001579595714 1191980929 /nfs/dbraw/zinc/98/09/29/1191980929.db2.gz KYDFRGGVIYBEJV-UHFFFAOYSA-N 1 0 305.372 3.410 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001579674067 1191985808 /nfs/dbraw/zinc/98/58/08/1191985808.db2.gz MMVGEBAKVSBBKG-BXUZGUMPSA-N 1 0 317.458 3.026 20 10 DGCDRO [NH3+][C@H]1CC=C(C(=O)N2CCCSc3cc(Cl)ccc32)C1 ZINC001580170909 1192011845 /nfs/dbraw/zinc/01/18/45/1192011845.db2.gz BBOUBPWVRLNDBA-LBPRGKRZSA-N 1 0 308.834 3.216 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC001621346267 1192089521 /nfs/dbraw/zinc/08/95/21/1192089521.db2.gz TUFHUFLYYJBCRI-RTBURBONSA-N 1 0 306.494 3.440 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCC[C@@H]1O ZINC001620829779 1192276876 /nfs/dbraw/zinc/27/68/76/1192276876.db2.gz PMYILGGFMVAVLF-OALUTQOASA-N 1 0 302.462 3.318 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC(=O)NC(C)(C)C ZINC000388550263 1178073651 /nfs/dbraw/zinc/07/36/51/1178073651.db2.gz FRAAQRYNNNDKLJ-OLZOCXBDSA-N 1 0 304.434 3.143 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1F ZINC001331496875 1178226585 /nfs/dbraw/zinc/22/65/85/1178226585.db2.gz DAFMVCJAYJGWEA-XGWLTEMNSA-N 1 0 310.388 3.078 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC001331691566 1178269902 /nfs/dbraw/zinc/26/99/02/1178269902.db2.gz HUSPDOHTWMXADO-UHFFFAOYSA-N 1 0 302.462 3.268 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@]23CCOC3)c(O)c(C(C)(C)C)c1 ZINC001333909353 1178693622 /nfs/dbraw/zinc/69/36/22/1178693622.db2.gz YUYAWZBGBNLKQB-SFHVURJKSA-N 1 0 305.418 3.063 20 10 DGCDRO CC[N@H+](CCSC)Cc1ccc(Br)cc1O ZINC001333946839 1178698872 /nfs/dbraw/zinc/69/88/72/1178698872.db2.gz YLHWMCZUHZWFTF-UHFFFAOYSA-N 1 0 304.253 3.340 20 10 DGCDRO COc1cc(C)cc(C[N@H+](Cc2ccccc2)[C@H](C)CO)c1O ZINC001334346424 1178752495 /nfs/dbraw/zinc/75/24/95/1178752495.db2.gz BBNQDSDHFZTYNG-OAHLLOKOSA-N 1 0 315.413 3.092 20 10 DGCDRO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(F)ccc3O)C2)cc1 ZINC001334383763 1178756198 /nfs/dbraw/zinc/75/61/98/1178756198.db2.gz IFJXVCJHRGTBNX-MRXNPFEDSA-N 1 0 314.360 3.123 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c(Cl)cccc2N(C)C)c1O ZINC001343326275 1179256852 /nfs/dbraw/zinc/25/68/52/1179256852.db2.gz HRDDXRMPKMVFEI-UHFFFAOYSA-N 1 0 320.820 3.410 20 10 DGCDRO C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC001343335257 1179257972 /nfs/dbraw/zinc/25/79/72/1179257972.db2.gz WLRVMTGTVHTLJN-MELADBBJSA-N 1 0 308.853 3.208 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C)C(C)C ZINC001344437760 1179433112 /nfs/dbraw/zinc/43/31/12/1179433112.db2.gz JANMFPYTEUAZDB-GLJUWKHASA-N 1 0 318.461 3.341 20 10 DGCDRO C[NH2+][C@H](C)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001345809651 1179609034 /nfs/dbraw/zinc/60/90/34/1179609034.db2.gz KYJOKJGLWNJJNJ-CQSZACIVSA-N 1 0 313.445 3.130 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C)C1CCOCC1 ZINC001346869375 1179758151 /nfs/dbraw/zinc/75/81/51/1179758151.db2.gz QYXJJYZIGCBSJN-IMJJTQAJSA-N 1 0 319.445 3.280 20 10 DGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347236160 1179785550 /nfs/dbraw/zinc/78/55/50/1179785550.db2.gz WNBMRQJNGFUVKJ-WBVHZDCISA-N 1 0 319.468 3.340 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001349625452 1179923886 /nfs/dbraw/zinc/92/38/86/1179923886.db2.gz NPWWMYZJIHOVSU-WDSOQIARSA-N 1 0 300.446 3.334 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC001352789473 1180400035 /nfs/dbraw/zinc/40/00/35/1180400035.db2.gz WWTYEDRNGBDEDR-UHFFFAOYSA-N 1 0 313.420 3.116 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cccc3c2OCCO3)n1 ZINC001200691969 1180826180 /nfs/dbraw/zinc/82/61/80/1180826180.db2.gz JSBYYPLBLBYIEB-UHFFFAOYSA-N 1 0 322.455 3.186 20 10 DGCDRO Cc1nccn1CCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001200715278 1180847971 /nfs/dbraw/zinc/84/79/71/1180847971.db2.gz VDMKRBFPVDCRHT-UHFFFAOYSA-N 1 0 312.461 3.362 20 10 DGCDRO Cc1cc(C[N@@H+]2CCN(C)[C@@H](C(C)(C)C)C2)ccc1N(C)C ZINC001460329344 1182677576 /nfs/dbraw/zinc/67/75/76/1182677576.db2.gz PBRKDLOXLDXEDL-GOSISDBHSA-N 1 0 303.494 3.223 20 10 DGCDRO CC(C)CCCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461231816 1182783389 /nfs/dbraw/zinc/78/33/89/1182783389.db2.gz VIAGZOADCHZUST-UHFFFAOYSA-N 1 0 321.484 3.493 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)cc1C ZINC001461537889 1182826236 /nfs/dbraw/zinc/82/62/36/1182826236.db2.gz JBKHKWZUSPCDQQ-ZFWWWQNUSA-N 1 0 301.377 3.278 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)CC2CCCCC2)cc1F ZINC001461591379 1182833178 /nfs/dbraw/zinc/83/31/78/1182833178.db2.gz JAPYHDLWUJVNHC-INIZCTEOSA-N 1 0 308.441 3.313 20 10 DGCDRO CC1(C)C[C@@]1(C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001461726239 1182846183 /nfs/dbraw/zinc/84/61/83/1182846183.db2.gz JQHNGFQUBXUHNX-SFHVURJKSA-N 1 0 306.425 3.188 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC001462010474 1182894892 /nfs/dbraw/zinc/89/48/92/1182894892.db2.gz FNEFHTIOANKQQI-IBGZPJMESA-N 1 0 311.425 3.398 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2COC(C)(C)O2)cc1 ZINC001462007556 1182895508 /nfs/dbraw/zinc/89/55/08/1182895508.db2.gz GMKSVZSLMADBOO-KRWDZBQOSA-N 1 0 306.450 3.116 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CC(C)(C(=O)OCC)C1 ZINC001462187778 1182921115 /nfs/dbraw/zinc/92/11/15/1182921115.db2.gz IGRXMFLARAPMNX-UHFFFAOYSA-N 1 0 304.434 3.094 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN(C)C(C)(C)C[NH+]1CCCC1 ZINC001462380585 1182944475 /nfs/dbraw/zinc/94/44/75/1182944475.db2.gz BFWDEGGYZQCDON-UHFFFAOYSA-N 1 0 303.494 3.367 20 10 DGCDRO CC[C@@]1(O)CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001462497312 1182961171 /nfs/dbraw/zinc/96/11/71/1182961171.db2.gz WBINOVXAXLRCDH-LJQANCHMSA-N 1 0 321.461 3.435 20 10 DGCDRO COC[C@@H](CC(C)C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001462651033 1182980410 /nfs/dbraw/zinc/98/04/10/1182980410.db2.gz NNKGHGSZESNXRB-MJGOQNOKSA-N 1 0 321.509 3.006 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccccc1O ZINC001473723392 1183793468 /nfs/dbraw/zinc/79/34/68/1183793468.db2.gz FACATHCRZARGQC-LBPRGKRZSA-N 1 0 302.349 3.211 20 10 DGCDRO c1ccc2c(c1)CCN(CC[NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001473921936 1183828461 /nfs/dbraw/zinc/82/84/61/1183828461.db2.gz DZIUOHAQKWANAU-UHFFFAOYSA-N 1 0 322.452 3.160 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2Cc3ccccc3O2)c(Cl)c1 ZINC001473983930 1183844167 /nfs/dbraw/zinc/84/41/67/1183844167.db2.gz KHFHRDYHVWSRPL-ZDUSSCGKSA-N 1 0 303.789 3.447 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@](C)(O)c1ccccc1 ZINC001474198534 1183881895 /nfs/dbraw/zinc/88/18/95/1183881895.db2.gz NSKWNKOFTPDGFP-MGPUTAFESA-N 1 0 311.425 3.397 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)O1 ZINC001474233561 1183886573 /nfs/dbraw/zinc/88/65/73/1183886573.db2.gz CKYFVEMDGIRUMO-ZETOZRRWSA-N 1 0 316.367 3.427 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(Br)cn1)c1ccccc1O ZINC001474253884 1183890633 /nfs/dbraw/zinc/89/06/33/1183890633.db2.gz YCXFHNNIMHQECX-JTQLQIEISA-N 1 0 307.191 3.401 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001474313873 1183902493 /nfs/dbraw/zinc/90/24/93/1183902493.db2.gz GNSSRVJJPLZXSI-CQSZACIVSA-N 1 0 308.853 3.353 20 10 DGCDRO COc1cc(C)cc(C[N@H+](CCO)[C@H](C)c2ccccc2)c1O ZINC001474368553 1183910228 /nfs/dbraw/zinc/91/02/28/1183910228.db2.gz QTEJYYQVOWGHPL-OAHLLOKOSA-N 1 0 315.413 3.265 20 10 DGCDRO Cc1ccc(C[N@@H+](CCO)Cc2ccc(N(C)C)cc2C)cc1 ZINC001474391141 1183914493 /nfs/dbraw/zinc/91/44/93/1183914493.db2.gz HOUUROYXNFAEPK-UHFFFAOYSA-N 1 0 312.457 3.364 20 10 DGCDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(C(C)C)ccc2O)C1(C)C ZINC001474445670 1183922987 /nfs/dbraw/zinc/92/29/87/1183922987.db2.gz IRRKKWRJUNPFJF-PKOBYXMFSA-N 1 0 321.461 3.171 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(C)cc2O)C1 ZINC001474451630 1183924847 /nfs/dbraw/zinc/92/48/47/1183924847.db2.gz ACKWBQIZVQHYIN-HOCLYGCPSA-N 1 0 320.433 3.047 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC001474459672 1183925375 /nfs/dbraw/zinc/92/53/75/1183925375.db2.gz ILGVWWOYVWDPBW-UHFFFAOYSA-N 1 0 317.458 3.150 20 10 DGCDRO CCCN(Cc1cc(C(=O)OC)cs1)c1ccc(C[NH3+])cc1 ZINC001474496208 1183930689 /nfs/dbraw/zinc/93/06/89/1183930689.db2.gz ROMIKAJGCBHHGV-UHFFFAOYSA-N 1 0 318.442 3.410 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H]2C2CC2)c2cc(F)ccc2n1C ZINC001474537581 1183937400 /nfs/dbraw/zinc/93/74/00/1183937400.db2.gz OPTMHIRFURPSCD-OAHLLOKOSA-N 1 0 316.376 3.088 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H]2COc3c(C)cccc3C2)c(O)c1 ZINC001474560077 1183941151 /nfs/dbraw/zinc/94/11/51/1183941151.db2.gz FZQXLPKUJHCXDD-HNNXBMFYSA-N 1 0 313.397 3.111 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC001474646845 1183954672 /nfs/dbraw/zinc/95/46/72/1183954672.db2.gz JCRZIDXBBXEXMO-MJGOQNOKSA-N 1 0 318.461 3.273 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1CCCN1CC(F)(F)F ZINC001474701007 1183964425 /nfs/dbraw/zinc/96/44/25/1183964425.db2.gz BDQILIKRCBUMDK-GFCCVEGCSA-N 1 0 322.758 3.162 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](C(=O)OC)C2CCCCC2)c1O ZINC001474701497 1183964747 /nfs/dbraw/zinc/96/47/47/1183964747.db2.gz FUSDDBFTBLIIRW-KRWDZBQOSA-N 1 0 319.445 3.414 20 10 DGCDRO COC(=O)c1c(C[NH2+][C@H]2CC[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001474707770 1183965875 /nfs/dbraw/zinc/96/58/75/1183965875.db2.gz HCCIBBJSTNBQIW-YPMHNXCESA-N 1 0 318.392 3.382 20 10 DGCDRO C[C@@H](CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)[NH+]1CCCCC1 ZINC001609779442 1193356099 /nfs/dbraw/zinc/35/60/99/1193356099.db2.gz PSQCXRKDCRFTIZ-KBPBESRZSA-N 1 0 320.433 3.006 20 10 DGCDRO CCC(=O)N1CCC(CC)([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001502475459 1185985533 /nfs/dbraw/zinc/98/55/33/1185985533.db2.gz BXRWMAXLCOHJHX-UHFFFAOYSA-N 1 0 318.461 3.274 20 10 DGCDRO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)C ZINC001537484509 1188078230 /nfs/dbraw/zinc/07/82/30/1188078230.db2.gz WXPKUGSCNQOJDN-RHSMWYFYSA-N 1 0 319.493 3.154 20 10 DGCDRO CCC[C@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001539707382 1188199966 /nfs/dbraw/zinc/19/99/66/1188199966.db2.gz RCXHWQOUAIWBBG-YJBOKZPZSA-N 1 0 319.493 3.298 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)ccc1N1CCCCC1 ZINC001616825188 1193548374 /nfs/dbraw/zinc/54/83/74/1193548374.db2.gz XTHRXWPZDQKUFX-KXBFYZLASA-N 1 0 302.462 3.188 20 10 DGCDRO CC[C@H](C)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001560083130 1189276468 /nfs/dbraw/zinc/27/64/68/1189276468.db2.gz QLLKUKIRFWWIPD-GJZGRUSLSA-N 1 0 306.450 3.260 20 10 DGCDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560344415 1189315005 /nfs/dbraw/zinc/31/50/05/1189315005.db2.gz XIBBOJXAINJJGS-QGZVFWFLSA-N 1 0 314.420 3.308 20 10 DGCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001560397680 1189322618 /nfs/dbraw/zinc/32/26/18/1189322618.db2.gz IJVJEWQHXLGIMX-PKOBYXMFSA-N 1 0 301.478 3.107 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCc1ccc(CO)cc1 ZINC001560415139 1189325273 /nfs/dbraw/zinc/32/52/73/1189325273.db2.gz YWNPLGLUTUCXTR-UHFFFAOYSA-N 1 0 308.425 3.311 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cn1 ZINC001560456194 1189330558 /nfs/dbraw/zinc/33/05/58/1189330558.db2.gz MYNJVCIJCAOZED-UHFFFAOYSA-N 1 0 322.412 3.130 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)COc2ccccc2O1 ZINC001560543839 1189338347 /nfs/dbraw/zinc/33/83/47/1189338347.db2.gz IPUOGIKTZUMPDH-QGZVFWFLSA-N 1 0 319.788 3.365 20 10 DGCDRO COC(=O)c1c(C[N@H+](C)C2CCC2)c2cc(F)ccc2n1C ZINC001560672727 1189358273 /nfs/dbraw/zinc/35/82/73/1189358273.db2.gz QMCLZVLDPYRBBT-UHFFFAOYSA-N 1 0 304.365 3.088 20 10 DGCDRO CC(C)[C@H](C[NH2+]Cc1ccc(Cl)cc1O)c1ccnn1C ZINC001560760433 1189376935 /nfs/dbraw/zinc/37/69/35/1189376935.db2.gz GJVRCXNHGCRCOQ-AWEZNQCLSA-N 1 0 307.825 3.309 20 10 DGCDRO CCc1cccc(C[NH2+]CC[C@H]2COc3ccccc3O2)c1O ZINC001560892264 1189401201 /nfs/dbraw/zinc/40/12/01/1189401201.db2.gz JIBZHNRKVFXLLD-INIZCTEOSA-N 1 0 313.397 3.274 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc2[nH]c(=O)oc2c1 ZINC001560954095 1189410471 /nfs/dbraw/zinc/41/04/71/1189410471.db2.gz GOJYHGZGBMGGSG-VIFPVBQESA-N 1 0 302.305 3.229 20 10 DGCDRO CC(C)C1(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001561040506 1189425409 /nfs/dbraw/zinc/42/54/09/1189425409.db2.gz TUMORVWOIXUMTG-SFHVURJKSA-N 1 0 303.494 3.381 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c(O)c1 ZINC001561042500 1189425845 /nfs/dbraw/zinc/42/58/45/1189425845.db2.gz CDJHTBUBEYVTOB-CVEARBPZSA-N 1 0 319.445 3.348 20 10 DGCDRO CC(C)(C)c1cnc(SC[C@H]2C[C@]3(CC[NH2+]C3)CO2)s1 ZINC001575277290 1191472509 /nfs/dbraw/zinc/47/25/09/1191472509.db2.gz NEWLTNKUKYJGFB-ABAIWWIYSA-N 1 0 312.504 3.301 20 10 DGCDRO CCOc1ncccc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001620714737 1193794113 /nfs/dbraw/zinc/79/41/13/1193794113.db2.gz LCPHADGEYCYPJI-UHFFFAOYSA-N 1 0 311.429 3.370 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC001620745779 1193797708 /nfs/dbraw/zinc/79/77/08/1193797708.db2.gz LJUBSERMORSXGK-SFHVURJKSA-N 1 0 322.452 3.428 20 10 DGCDRO COCC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)CC(C)C ZINC001621128726 1193805722 /nfs/dbraw/zinc/80/57/22/1193805722.db2.gz OBLSZPQMOBCEKM-UHFFFAOYSA-N 1 0 300.393 3.135 20 10 DGCDRO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001621243539 1193821950 /nfs/dbraw/zinc/82/19/50/1193821950.db2.gz MDRHQMRZJSRSSR-YCRPNKLZSA-N 1 0 323.845 3.255 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2cc(Cl)ccc2O)c(O)c1 ZINC001621419989 1193840079 /nfs/dbraw/zinc/84/00/79/1193840079.db2.gz DQZYGZVNPQFNPD-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO COc1cc(CC[NH2+]Cc2cc(C(C)C)ccc2O)ccn1 ZINC001621472846 1193847105 /nfs/dbraw/zinc/84/71/05/1193847105.db2.gz VXPFOYAXILAGCV-UHFFFAOYSA-N 1 0 300.402 3.252 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3(C)CCCC3)CC2)c(OC)c1 ZINC001621487735 1193849561 /nfs/dbraw/zinc/84/95/61/1193849561.db2.gz HBBIADSYHFWIND-UHFFFAOYSA-N 1 0 318.461 3.406 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1C[C@H]1C1CC1 ZINC001621557917 1193858880 /nfs/dbraw/zinc/85/88/80/1193858880.db2.gz XIEOLCNLLNHGBF-DPZWOIPNSA-N 1 0 315.505 3.380 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(OC)ccc1O)c1ccc(F)cc1 ZINC001621561916 1193858896 /nfs/dbraw/zinc/85/88/96/1193858896.db2.gz GZAHQLAYRWRUKV-INIZCTEOSA-N 1 0 305.349 3.017 20 10 DGCDRO Nc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000037296185 1193926023 /nfs/dbraw/zinc/92/60/23/1193926023.db2.gz BZRVKQZRXWJOPF-UHFFFAOYSA-N 1 0 301.821 3.244 20 10 DGCDRO CC(C)CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001627464607 1194130450 /nfs/dbraw/zinc/13/04/50/1194130450.db2.gz OXRRMRDLUWHLRG-SFHVURJKSA-N 1 0 319.493 3.298 20 10 DGCDRO CCCC[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001627464616 1194130522 /nfs/dbraw/zinc/13/05/22/1194130522.db2.gz PCVZWPLLLMKOJS-CRAIPNDOSA-N 1 0 319.493 3.298 20 10 DGCDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001633315527 1194431363 /nfs/dbraw/zinc/43/13/63/1194431363.db2.gz RYILQBXTYFQXGA-QAPCUYQASA-N 1 0 317.477 3.050 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001641902228 1194877950 /nfs/dbraw/zinc/87/79/50/1194877950.db2.gz KJIDDQHRPPSZIJ-MJGOQNOKSA-N 1 0 319.445 3.332 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)CCNC(=O)OC(C)(C)C)cc1 ZINC001643333049 1195016018 /nfs/dbraw/zinc/01/60/18/1195016018.db2.gz WAXKWRVNHFMGIN-UHFFFAOYSA-N 1 0 321.465 3.099 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(CO)CCCC1 ZINC001643336800 1195016488 /nfs/dbraw/zinc/01/64/88/1195016488.db2.gz MPXRBPVKPFCFRL-SFHVURJKSA-N 1 0 304.478 3.420 20 10 DGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H]2CCO[C@H]21 ZINC001647026848 1195240471 /nfs/dbraw/zinc/24/04/71/1195240471.db2.gz VBCYMDSQZPZQNP-RCCFBDPRSA-N 1 0 300.446 3.190 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1C ZINC001650757729 1195379447 /nfs/dbraw/zinc/37/94/47/1195379447.db2.gz ABKWKCHXJODNOY-DOTOQJQBSA-N 1 0 302.462 3.499 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1C ZINC001650757731 1195379764 /nfs/dbraw/zinc/37/97/64/1195379764.db2.gz ABKWKCHXJODNOY-RDJZCZTQSA-N 1 0 302.462 3.499 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](CO)CC2CCCC2)ccc1OC ZINC001651003210 1195402028 /nfs/dbraw/zinc/40/20/28/1195402028.db2.gz AOTSLEKSNSBYNS-GOSISDBHSA-N 1 0 321.461 3.263 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CO)CCc2ccccc2)cc1 ZINC001651582893 1195482193 /nfs/dbraw/zinc/48/21/93/1195482193.db2.gz YXBJWGNASCPQGV-QKWWCAPFSA-N 1 0 324.468 3.349 20 10 DGCDRO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1Cc1ccc(C)cc1O ZINC001652523707 1195611613 /nfs/dbraw/zinc/61/16/13/1195611613.db2.gz WHWWODNCLISNHC-PGEKIEPBSA-N 1 0 303.402 3.007 20 10 DGCDRO Cc1ccc(C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)c(O)c1 ZINC001652754000 1195647941 /nfs/dbraw/zinc/64/79/41/1195647941.db2.gz FBPFFARWEUWAKI-HXUWFJFHSA-N 1 0 310.441 3.455 20 10 DGCDRO COC(C)(C)CC[NH2+]Cc1cc(Br)cc(C)c1O ZINC001652986679 1195678400 /nfs/dbraw/zinc/67/84/00/1195678400.db2.gz LFZCBUGWTCZENO-UHFFFAOYSA-N 1 0 316.239 3.368 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1ccc(N(C)CC)cc1)C(C)C ZINC001654057360 1195771501 /nfs/dbraw/zinc/77/15/01/1195771501.db2.gz WSWJIRGRDHXZFK-UHFFFAOYSA-N 1 0 306.450 3.306 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccc(OC)c2)cc1 ZINC001654114403 1195776191 /nfs/dbraw/zinc/77/61/91/1195776191.db2.gz JPONGJMOKRJCPE-UHFFFAOYSA-N 1 0 314.429 3.272 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CC[C@@H]2C[C@H]2C2CC2)cc1 ZINC001654948204 1195858696 /nfs/dbraw/zinc/85/86/96/1195858696.db2.gz ZPAVITMOLILNSW-APWZRJJASA-N 1 0 302.462 3.499 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@]23CCCOC3)c1O ZINC001655142315 1195882530 /nfs/dbraw/zinc/88/25/30/1195882530.db2.gz WEMSTGVSWCKUQA-GOSISDBHSA-N 1 0 321.392 3.269 20 10 DGCDRO CN(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1cccs1 ZINC001655179896 1195886728 /nfs/dbraw/zinc/88/67/28/1195886728.db2.gz FNSFDCPNKDTRAR-INIZCTEOSA-N 1 0 316.470 3.466 20 10 DGCDRO COc1cccc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC001655298928 1195901119 /nfs/dbraw/zinc/90/11/19/1195901119.db2.gz SPAMHFUHIJECQO-UHFFFAOYSA-N 1 0 302.393 3.233 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCCOC[C@H]1CCOC1 ZINC001655684402 1195949404 /nfs/dbraw/zinc/94/94/04/1195949404.db2.gz JWWCCPAOGXGYNG-MRXNPFEDSA-N 1 0 316.445 3.020 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1C ZINC001655939910 1195980192 /nfs/dbraw/zinc/98/01/92/1195980192.db2.gz IGDPZYALOAEIEB-CQSZACIVSA-N 1 0 305.340 3.187 20 10 DGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1(C)C ZINC001655985594 1195984965 /nfs/dbraw/zinc/98/49/65/1195984965.db2.gz PQFNBKUMNLDSAV-MTNUCWHWSA-N 1 0 302.462 3.415 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCCN2C2CC2)c(Cl)c1 ZINC001656203368 1196017485 /nfs/dbraw/zinc/01/74/85/1196017485.db2.gz IAEMNIOCLJVTEL-AWEZNQCLSA-N 1 0 308.853 3.461 20 10 DGCDRO CC(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC001656527365 1196047092 /nfs/dbraw/zinc/04/70/92/1196047092.db2.gz LOEKKEGEUMVRLF-INIZCTEOSA-N 1 0 319.445 3.325 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCOCC23CCCC3)c1O ZINC001656545400 1196048690 /nfs/dbraw/zinc/04/86/90/1196048690.db2.gz ROBZEVIFGWNRKG-MRXNPFEDSA-N 1 0 321.392 3.173 20 10 DGCDRO c1ccc2c(c1)C[C@@H](C[NH2+]Cc1ccc3c(c1)CCCO3)CO2 ZINC001656673028 1196060941 /nfs/dbraw/zinc/06/09/41/1196060941.db2.gz RNXAGTIGWFJVKG-INIZCTEOSA-N 1 0 309.409 3.353 20 10 DGCDRO C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001656947459 1196085592 /nfs/dbraw/zinc/08/55/92/1196085592.db2.gz ZACRXWKCLPWONT-ZWKOTPCHSA-N 1 0 315.505 3.497 20 10 DGCDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001656947456 1196085784 /nfs/dbraw/zinc/08/57/84/1196085784.db2.gz ZACRXWKCLPWONT-MSOLQXFVSA-N 1 0 315.505 3.497 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2COc3ccccc3C2)cc1F ZINC001657172154 1196114753 /nfs/dbraw/zinc/11/47/53/1196114753.db2.gz FWZMWXCJNPWLMZ-CQSZACIVSA-N 1 0 318.367 3.124 20 10 DGCDRO CC(C)[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)CCO1 ZINC001657271971 1196126148 /nfs/dbraw/zinc/12/61/48/1196126148.db2.gz XDFLXFFDTTXDTJ-OLZOCXBDSA-N 1 0 300.493 3.419 20 10 DGCDRO CCn1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC001657338149 1196131749 /nfs/dbraw/zinc/13/17/49/1196131749.db2.gz BYBANKIPJNIEIT-UHFFFAOYSA-N 1 0 300.450 3.380 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCCC1 ZINC001657521279 1196151268 /nfs/dbraw/zinc/15/12/68/1196151268.db2.gz IMUOLQKMAMOOMJ-HNNXBMFYSA-N 1 0 319.468 3.246 20 10 DGCDRO CCCCC[N@H+](CCO)Cc1cc(F)c(N(C)C)cc1F ZINC001657639529 1196163708 /nfs/dbraw/zinc/16/37/08/1196163708.db2.gz GRDTVFNCUYPNEK-UHFFFAOYSA-N 1 0 300.393 3.015 20 10 DGCDRO CC[C@H](C)CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001657644525 1196165211 /nfs/dbraw/zinc/16/52/11/1196165211.db2.gz VZMJEAOOHDPOAL-HNNXBMFYSA-N 1 0 301.434 3.466 20 10 DGCDRO C[C@H](CCNCc1ccc(N(C)C)c(F)c1)[NH+]1CCCCC1 ZINC001657768184 1196176581 /nfs/dbraw/zinc/17/65/81/1196176581.db2.gz GUAYVAHQDUEYLA-OAHLLOKOSA-N 1 0 307.457 3.246 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)cc1F ZINC001658000020 1196200835 /nfs/dbraw/zinc/20/08/35/1196200835.db2.gz SVQDGSCLNKDNDP-OAHLLOKOSA-N 1 0 306.425 3.331 20 10 DGCDRO CCOC(=O)CCCCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC001658022889 1196202492 /nfs/dbraw/zinc/20/24/92/1196202492.db2.gz FRPQGYGARQSAEH-CYBMUJFWSA-N 1 0 309.406 3.175 20 10 DGCDRO CC[C@H](C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001658248325 1196230383 /nfs/dbraw/zinc/23/03/83/1196230383.db2.gz OOUPQGBYTLJPPN-HNNXBMFYSA-N 1 0 307.457 3.103 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)cc1C ZINC001658315455 1196240738 /nfs/dbraw/zinc/24/07/38/1196240738.db2.gz POTYOLBZQCCSOF-MRXNPFEDSA-N 1 0 301.361 3.236 20 10 DGCDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)CO2 ZINC001658330094 1196242489 /nfs/dbraw/zinc/24/24/89/1196242489.db2.gz DDYCZVXRULZKQB-OAHLLOKOSA-N 1 0 314.404 3.293 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)cc1F ZINC001658367088 1196246765 /nfs/dbraw/zinc/24/67/65/1196246765.db2.gz CQBIYNLHTAIMJP-MSOLQXFVSA-N 1 0 306.425 3.329 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1O ZINC001658399399 1196251721 /nfs/dbraw/zinc/25/17/21/1196251721.db2.gz SUAVGMFPWRZCGP-SJLPKXTDSA-N 1 0 301.361 3.436 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c(O)c1 ZINC001658402312 1196252020 /nfs/dbraw/zinc/25/20/20/1196252020.db2.gz CYRNSODCTYOGIV-ZWKOTPCHSA-N 1 0 301.361 3.436 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@H](O)C2CCCC2)cc1 ZINC001658464141 1196260457 /nfs/dbraw/zinc/26/04/57/1196260457.db2.gz RWHMKTKRRNTBBN-VOFKWLDRSA-N 1 0 302.462 3.297 20 10 DGCDRO COc1ccccc1OCC[N@H+](C)Cc1ccc(C)cc1O ZINC001658549047 1196271548 /nfs/dbraw/zinc/27/15/48/1196271548.db2.gz BRFAWTFTRYWYIY-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c(O)c1 ZINC001658571140 1196274719 /nfs/dbraw/zinc/27/47/19/1196274719.db2.gz IBNBKHJVBFYHAQ-INIZCTEOSA-N 1 0 318.461 3.206 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2CCC(C)(C)C2)cc1 ZINC001658741136 1196294864 /nfs/dbraw/zinc/29/48/64/1196294864.db2.gz DMQBOCCPOQXERK-AATRIKPKSA-N 1 0 301.478 3.087 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3nccs3)C2)c(O)c1 ZINC001658797046 1196302898 /nfs/dbraw/zinc/30/28/98/1196302898.db2.gz IRMVSBNHVRUZLV-GFCCVEGCSA-N 1 0 304.415 3.155 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC001658876275 1196313552 /nfs/dbraw/zinc/31/35/52/1196313552.db2.gz BSHQKXXAVWTIKU-IRXDYDNUSA-N 1 0 317.429 3.086 20 10 DGCDRO COC(=O)CCC1([NH2+]Cc2cc(F)ccc2O)CCCCC1 ZINC001658965720 1196326388 /nfs/dbraw/zinc/32/63/88/1196326388.db2.gz BBKLPXBDCVSJTO-UHFFFAOYSA-N 1 0 309.381 3.277 20 10 DGCDRO CCOC(=O)[C@H]1CCCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC001659002635 1196330902 /nfs/dbraw/zinc/33/09/02/1196330902.db2.gz LJKNWVFGLNYTMX-JTHGQSKGSA-N 1 0 316.445 3.183 20 10 DGCDRO CC1=CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC001659022441 1196332801 /nfs/dbraw/zinc/33/28/01/1196332801.db2.gz RYWZVXWNBXESPC-UHFFFAOYSA-N 1 0 300.171 3.446 20 10 DGCDRO COC(=O)C1CCC([NH2+]Cc2cc(C(C)C)ccc2O)CC1 ZINC001659043658 1196337016 /nfs/dbraw/zinc/33/70/16/1196337016.db2.gz BSEZDZKIGAKWIK-UHFFFAOYSA-N 1 0 305.418 3.337 20 10 DGCDRO CC[C@H]1C[N@H+](CC)CCN1Cc1c([O-])ccc(Cl)c1F ZINC001659209875 1196358607 /nfs/dbraw/zinc/35/86/07/1196358607.db2.gz HAJCXRVZCQSUBR-NSHDSACASA-N 1 0 300.805 3.101 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCc3cn(C(C)C)nc32)c1 ZINC001659346534 1196373944 /nfs/dbraw/zinc/37/39/44/1196373944.db2.gz WHVBYTJEUBAXTR-MRXNPFEDSA-N 1 0 315.417 3.345 20 10 DGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001659414858 1196380745 /nfs/dbraw/zinc/38/07/45/1196380745.db2.gz PQFWNLSNZWHVJS-ZJUUUORDSA-N 1 0 318.161 3.242 20 10 DGCDRO CCn1ccc(CN(C)Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001659455212 1196384936 /nfs/dbraw/zinc/38/49/36/1196384936.db2.gz XFWSLMIMIQMKSU-UHFFFAOYSA-N 1 0 307.388 3.484 20 10 DGCDRO COc1cc(C[N@@H+]2CCCCC[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC001659568975 1196395500 /nfs/dbraw/zinc/39/55/00/1196395500.db2.gz PNLOXHFJQAPFHE-HNNXBMFYSA-N 1 0 321.461 3.435 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1cc(F)ccc1F ZINC001659815503 1196417313 /nfs/dbraw/zinc/41/73/13/1196417313.db2.gz LCMVRVLTQCLJGL-WDEREUQCSA-N 1 0 320.339 3.348 20 10 DGCDRO C[C@H]1Cc2cc(C[NH2+]Cc3cc(F)c(F)cc3[O-])ccc2O1 ZINC001659976824 1196433469 /nfs/dbraw/zinc/43/34/69/1196433469.db2.gz FXAHQOMEWLDDLO-JTQLQIEISA-N 1 0 305.324 3.284 20 10 DGCDRO C[NH+](C)[C@@H]1CCc2ccccc2N(Cc2cc(F)ccc2O)C1 ZINC001660249394 1196461816 /nfs/dbraw/zinc/46/18/16/1196461816.db2.gz SGXBQIRQXUGJFX-QGZVFWFLSA-N 1 0 314.404 3.414 20 10 DGCDRO C[C@]1(C[NH2+]Cc2ccc(Cl)cc2O)COc2ccccc2O1 ZINC001660355343 1196474500 /nfs/dbraw/zinc/47/45/00/1196474500.db2.gz DBPFHONVLAYEPN-KRWDZBQOSA-N 1 0 319.788 3.365 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2nsc3ccccc23)c1 ZINC001660369432 1196476075 /nfs/dbraw/zinc/47/60/75/1196476075.db2.gz BMZVTRQWRVOQDO-UHFFFAOYSA-N 1 0 314.410 3.343 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001660413210 1196481322 /nfs/dbraw/zinc/48/13/22/1196481322.db2.gz RNNIEYCXLJXANQ-GOSISDBHSA-N 1 0 305.418 3.397 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2noc3cc(F)ccc23)c(O)c1 ZINC001660558078 1196497070 /nfs/dbraw/zinc/49/70/70/1196497070.db2.gz CDFXUNJCXZVOOM-UHFFFAOYSA-N 1 0 316.332 3.279 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)C(C)(C)C)cc1C ZINC001662263150 1196700475 /nfs/dbraw/zinc/70/04/75/1196700475.db2.gz PTYOCWNIKBOZGN-CABCVRRESA-N 1 0 320.477 3.280 20 10 DGCDRO CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001662737961 1196744897 /nfs/dbraw/zinc/74/48/97/1196744897.db2.gz ARHHVGHCVGOYBS-SJORKVTESA-N 1 0 318.461 3.321 20 10 DGCDRO CCC(C)(C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001663031658 1196786204 /nfs/dbraw/zinc/78/62/04/1196786204.db2.gz CMPRJNWVODRNEW-UHFFFAOYSA-N 1 0 321.484 3.493 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cccc3c2OCCO3)cc1C ZINC001663341558 1196840464 /nfs/dbraw/zinc/84/04/64/1196840464.db2.gz RYRMDCVHOMWLCZ-UHFFFAOYSA-N 1 0 313.397 3.107 20 10 DGCDRO C[C@@H]1SCCN(Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC001663888409 1196954687 /nfs/dbraw/zinc/95/46/87/1196954687.db2.gz CTPCTMCGNOINSB-QWRGUYRKSA-N 1 0 300.418 3.357 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cncc(Cl)c2Cl)c1O ZINC001664595538 1197018695 /nfs/dbraw/zinc/01/86/95/1197018695.db2.gz QHPCPORLQSKXPQ-UHFFFAOYSA-N 1 0 313.184 3.392 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@H+](CCO)C2CCSCC2)c1 ZINC001664739407 1197046809 /nfs/dbraw/zinc/04/68/09/1197046809.db2.gz DKCUEHBMRCBHKH-UHFFFAOYSA-N 1 0 309.475 3.206 20 10 DGCDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001664815463 1197061562 /nfs/dbraw/zinc/06/15/62/1197061562.db2.gz GUWUOIFBUAUSCK-HNNXBMFYSA-N 1 0 320.477 3.224 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1F ZINC001665471854 1197141828 /nfs/dbraw/zinc/14/18/28/1197141828.db2.gz YHLXZTHZHYUYCQ-AAEUAGOBSA-N 1 0 312.429 3.216 20 10 DGCDRO CCOc1ccc(CC[NH2+]Cc2c(C)cc(OC)cc2O)cc1 ZINC001665832701 1197204181 /nfs/dbraw/zinc/20/41/81/1197204181.db2.gz ZWPNJKBBDAQFKP-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO CC(C)C1(O)CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001665901105 1197213697 /nfs/dbraw/zinc/21/36/97/1197213697.db2.gz MWVFJJAPSYNABG-AATRIKPKSA-N 1 0 302.462 3.249 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ncccc2Br)c(O)c1 ZINC001665911522 1197215868 /nfs/dbraw/zinc/21/58/68/1197215868.db2.gz VOBCEMXKPOTELY-UHFFFAOYSA-N 1 0 307.191 3.148 20 10 DGCDRO CCC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001669385269 1197452046 /nfs/dbraw/zinc/45/20/46/1197452046.db2.gz QWNGNMWNKFAKAD-CQSZACIVSA-N 1 0 306.450 3.034 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC(=O)NCc1ccccc1 ZINC000324528117 1197693356 /nfs/dbraw/zinc/69/33/56/1197693356.db2.gz YUGMOOZVIDSECN-ZBFHGGJFSA-N 1 0 324.424 3.155 20 10 DGCDRO CN(C)[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000390224100 1197712910 /nfs/dbraw/zinc/71/29/10/1197712910.db2.gz IQTISWDGVUYYJX-GOSISDBHSA-N 1 0 313.445 3.272 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCC2CC2)cc1C ZINC001674647264 1197818687 /nfs/dbraw/zinc/81/86/87/1197818687.db2.gz NUFZRQOITSVFKK-CABCVRRESA-N 1 0 318.461 3.177 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000317436994 1199824682 /nfs/dbraw/zinc/82/46/82/1199824682.db2.gz RIDHKLVPAKXAMT-AGIUHOORSA-N 1 0 304.434 3.142 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC[C@]3(CCC[NH2+]C3)C2)c1O ZINC000318839830 1199835091 /nfs/dbraw/zinc/83/50/91/1199835091.db2.gz HYSXNOFBMSTKAC-KRWDZBQOSA-N 1 0 324.852 3.020 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CCNC(=O)C2CC2)C(C)C)cc1C ZINC001755547795 1200945073 /nfs/dbraw/zinc/94/50/73/1200945073.db2.gz PHSOFXPSWRCXKH-QGZVFWFLSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCC(C)C)cc1C ZINC001755577663 1200965870 /nfs/dbraw/zinc/96/58/70/1200965870.db2.gz PJYRFGSBDWOMJO-MRXNPFEDSA-N 1 0 320.477 3.376 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)CC(C)C)C(C)C)cc1C ZINC001698957630 1201607532 /nfs/dbraw/zinc/60/75/32/1201607532.db2.gz XVNFRZSJQKZHNO-KRWDZBQOSA-N 1 0 320.477 3.280 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)C(C)C)C2)cc1C ZINC001713960344 1202706856 /nfs/dbraw/zinc/70/68/56/1202706856.db2.gz CKXMZORVQFNUEE-DJIMGWMZSA-N 1 0 318.461 3.033 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC2(C)C)cc1C ZINC001714466905 1202951182 /nfs/dbraw/zinc/95/11/82/1202951182.db2.gz WJCTYPVFNMOLTP-ZBFHGGJFSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)CC(C)(C)C)cc1C ZINC001731723339 1204523416 /nfs/dbraw/zinc/52/34/16/1204523416.db2.gz QQHBJPREAFZFHK-OAHLLOKOSA-N 1 0 320.477 3.424 20 10 DGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)C(C)=C2CCC2)cc1C ZINC001731908238 1204629690 /nfs/dbraw/zinc/62/96/90/1204629690.db2.gz GPRHSOXVPNLBCS-UHFFFAOYSA-N 1 0 316.445 3.052 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C(C)C)cc1C ZINC001734224191 1205346483 /nfs/dbraw/zinc/34/64/83/1205346483.db2.gz BFEWHWOHNUNJRT-OAHLLOKOSA-N 1 0 306.450 3.034 20 10 DGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001172925013 1097282238 /nfs/dbraw/zinc/28/22/38/1097282238.db2.gz BYTNIYNCGDBBGM-CHWSQXEVSA-N 1 0 314.223 3.202 20 10 DGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC001330278236 1104528110 /nfs/dbraw/zinc/52/81/10/1104528110.db2.gz FBMXJEHUAPDIGO-TZMCWYRMSA-N 1 0 314.223 3.202 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCS1 ZINC000691465564 1081851103 /nfs/dbraw/zinc/85/11/03/1081851103.db2.gz JCWVWKOTIBDQMA-NSHDSACASA-N 1 0 302.237 3.140 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]CC[C@H]1CCCCO1 ZINC000691476514 1081867542 /nfs/dbraw/zinc/86/75/42/1081867542.db2.gz KMXBPKKMELTOAB-CYBMUJFWSA-N 1 0 314.223 3.204 20 10 DGCDRO CC(C)CCOCC[NH2+]Cc1ccc(Br)cc1O ZINC000691488069 1081923698 /nfs/dbraw/zinc/92/36/98/1081923698.db2.gz KULHANXCPBPUSO-UHFFFAOYSA-N 1 0 316.239 3.307 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@H]1CCCOC1 ZINC000691487990 1081923934 /nfs/dbraw/zinc/92/39/34/1081923934.db2.gz JQYCZHBJKQUJPL-JQWIXIFHSA-N 1 0 314.223 3.059 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ccc4cnoc4c3)cc2)CC1 ZINC001167434337 1082113312 /nfs/dbraw/zinc/11/33/12/1082113312.db2.gz JOEDMRVUGSYAFN-UHFFFAOYSA-N 1 0 322.412 3.192 20 10 DGCDRO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140345321 1082149061 /nfs/dbraw/zinc/14/90/61/1082149061.db2.gz RRIHDCALIMLCTQ-KRWDZBQOSA-N 1 0 322.836 3.023 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001140464427 1082270372 /nfs/dbraw/zinc/27/03/72/1082270372.db2.gz PDQNFEKTZRBRBG-AWEZNQCLSA-N 1 0 304.777 3.094 20 10 DGCDRO CO[C@]1(C)C[C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C1(C)C ZINC001170386298 1082357669 /nfs/dbraw/zinc/35/76/69/1082357669.db2.gz NDGBCNBLAOQZRF-WMLDXEAASA-N 1 0 309.381 3.027 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)ccc1N1CCCCC1 ZINC001170398513 1082361150 /nfs/dbraw/zinc/36/11/50/1082361150.db2.gz DETYWJAITZHUHS-QZTJIDSGSA-N 1 0 302.462 3.234 20 10 DGCDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2c(c1)OCCCO2 ZINC001167625200 1082618731 /nfs/dbraw/zinc/61/87/31/1082618731.db2.gz PKQRZOCUYMPSFI-UHFFFAOYSA-N 1 0 304.434 3.333 20 10 DGCDRO COc1cc(F)c(N2C(C)(C)CC([NH3+])CC2(C)C)c(OC)c1 ZINC001167625204 1082618872 /nfs/dbraw/zinc/61/88/72/1082618872.db2.gz PMSTUPDRDPPNAE-UHFFFAOYSA-N 1 0 310.413 3.328 20 10 DGCDRO COC(=O)/C=C/c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001167626418 1082620830 /nfs/dbraw/zinc/62/08/30/1082620830.db2.gz KTWPAVSWOVRFQS-DHZHZOJOSA-N 1 0 316.445 3.358 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)F)cc1C ZINC001133477754 1083135680 /nfs/dbraw/zinc/13/56/80/1083135680.db2.gz RHJGTOBPXINYIE-KBPBESRZSA-N 1 0 324.440 3.125 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC2CC2)cc1C ZINC001133482048 1083137898 /nfs/dbraw/zinc/13/78/98/1083137898.db2.gz KGYKLJYVGGYEIS-LSDHHAIUSA-N 1 0 318.461 3.177 20 10 DGCDRO CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133508833 1083140374 /nfs/dbraw/zinc/14/03/74/1083140374.db2.gz PQDLPONMYCZPIO-HUUCEWRRSA-N 1 0 306.450 3.177 20 10 DGCDRO C[C@H]([NH2+]Cc1ccccc1O)c1ccc(Br)cn1 ZINC000695250266 1083246958 /nfs/dbraw/zinc/24/69/58/1083246958.db2.gz QLYFSLLSQDRPRK-JTQLQIEISA-N 1 0 307.191 3.401 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000686279061 1083300939 /nfs/dbraw/zinc/30/09/39/1083300939.db2.gz IIOCTLIUGVLTHM-CYBMUJFWSA-N 1 0 320.433 3.046 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]CCSC(C)C)C2)cc1 ZINC001182509556 1083739519 /nfs/dbraw/zinc/73/95/19/1083739519.db2.gz VZDFLPQTHGOYKQ-OAHLLOKOSA-N 1 0 308.491 3.253 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC3CCC2CC3)cc1OC ZINC001182532320 1083748262 /nfs/dbraw/zinc/74/82/62/1083748262.db2.gz BYSRXAFHVBAODD-RUXDESIVSA-N 1 0 305.418 3.325 20 10 DGCDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)C ZINC001182617071 1083769897 /nfs/dbraw/zinc/76/98/97/1083769897.db2.gz ZKZDCKMYIMBJOG-QGZVFWFLSA-N 1 0 319.445 3.468 20 10 DGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1c(C)cc(OC)cc1O ZINC001182874412 1083826681 /nfs/dbraw/zinc/82/66/81/1083826681.db2.gz RCENMHHQEDYNHK-UHFFFAOYSA-N 1 0 309.450 3.376 20 10 DGCDRO COc1cc(C[N@@H+]2CCN(C)C(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC001183560848 1083971507 /nfs/dbraw/zinc/97/15/07/1083971507.db2.gz ILVQZZUOXHVORU-UHFFFAOYSA-N 1 0 320.477 3.224 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2C(=O)NCC2(CC)CC)cc1C ZINC001183981613 1084079901 /nfs/dbraw/zinc/07/99/01/1084079901.db2.gz OVMPQJWWDLHAIZ-QGZVFWFLSA-N 1 0 318.461 3.178 20 10 DGCDRO C[C@]1([NH3+])CCCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001205288336 1084088925 /nfs/dbraw/zinc/08/89/25/1084088925.db2.gz IVQRLNLSUQENJE-AWEZNQCLSA-N 1 0 303.233 3.402 20 10 DGCDRO C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203582013 1084093345 /nfs/dbraw/zinc/09/33/45/1084093345.db2.gz MLQKRSCMOIIMGO-UHFFFAOYSA-N 1 0 315.244 3.227 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(c3cncn3C)CC2)c(Cl)c1 ZINC001184364028 1084157184 /nfs/dbraw/zinc/15/71/84/1084157184.db2.gz KCCHDXFXIHLYAV-UHFFFAOYSA-N 1 0 319.836 3.467 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1O ZINC001203602375 1084290370 /nfs/dbraw/zinc/29/03/70/1084290370.db2.gz RNLONMVXEVXVKH-GJZGRUSLSA-N 1 0 303.402 3.125 20 10 DGCDRO CCOc1cccc(CN2CC[NH+](CC3CCCC3)CC2)c1O ZINC001203609174 1084349571 /nfs/dbraw/zinc/34/95/71/1084349571.db2.gz KIAFUPMAMKXGTL-UHFFFAOYSA-N 1 0 318.461 3.099 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@]1(O)C(F)(F)F ZINC001203651814 1084740081 /nfs/dbraw/zinc/74/00/81/1084740081.db2.gz XMIHREVPGDCVCO-NOZJJQNGSA-N 1 0 323.742 3.181 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC001658277114 1126261899 /nfs/dbraw/zinc/26/18/99/1126261899.db2.gz KDPKZQNXNAWTLL-LJQANCHMSA-N 1 0 313.441 3.265 20 10 DGCDRO CCc1cccc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)c1O ZINC001660397736 1126265065 /nfs/dbraw/zinc/26/50/65/1126265065.db2.gz LVOUJFOCVIMDFD-LJQANCHMSA-N 1 0 317.404 3.177 20 10 DGCDRO CC(C)(C)Oc1cc[nH+]c(NCCc2cc(O)c(O)cc2O)c1 ZINC001168016691 1086306642 /nfs/dbraw/zinc/30/66/42/1086306642.db2.gz NTOJYBFVXFUDIW-UHFFFAOYSA-N 1 0 318.373 3.030 20 10 DGCDRO CC(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1O ZINC001272619787 1088328190 /nfs/dbraw/zinc/32/81/90/1088328190.db2.gz ZHJDZELRYAGRIR-LJQANCHMSA-N 1 0 316.445 3.005 20 10 DGCDRO c1cc(CN2CC[NH2+]CC2)cc(Nc2ccc3c(c2)CCCN3)c1 ZINC001159631566 1088425799 /nfs/dbraw/zinc/42/57/99/1088425799.db2.gz RBGLZFOVUACQLA-UHFFFAOYSA-N 1 0 322.456 3.194 20 10 DGCDRO c1cc2c(c(Nc3ccc4c(c3)CCCN4)c1)[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001160394498 1088779075 /nfs/dbraw/zinc/77/90/75/1088779075.db2.gz JRDDGJMWZPEODK-KDOFPFPSSA-N 1 0 307.397 3.236 20 10 DGCDRO CCN(Cc1ccccc1O)c1cc(N2CCCC2)[nH+]c(C)n1 ZINC001154889773 1088814521 /nfs/dbraw/zinc/81/45/21/1088814521.db2.gz GYDMWWPFKYIBJP-UHFFFAOYSA-N 1 0 312.417 3.117 20 10 DGCDRO CCN(C)c1cc(C)[nH+]c(NCc2c(C)cc(C)cc2O)n1 ZINC001160808710 1088975602 /nfs/dbraw/zinc/97/56/02/1088975602.db2.gz ZQGKPDVSDWIOMW-UHFFFAOYSA-N 1 0 300.406 3.176 20 10 DGCDRO Cc1[nH+]c(N2CCCc3cc(O)c(O)cc3C2)cc2[nH]ccc21 ZINC001155944549 1089308485 /nfs/dbraw/zinc/30/84/85/1089308485.db2.gz GPZXHYHQKKHJNU-UHFFFAOYSA-N 1 0 309.369 3.235 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@H]1O ZINC001236793093 1089869898 /nfs/dbraw/zinc/86/98/98/1089869898.db2.gz HMGIMXSZKOYFHU-TVQRCGJNSA-N 1 0 304.217 3.292 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(NCc2noc3c2C[NH2+]CC3)cc1 ZINC001163132174 1090086901 /nfs/dbraw/zinc/08/69/01/1090086901.db2.gz XENYNBLVKLHBCT-UHFFFAOYSA-N 1 0 322.412 3.340 20 10 DGCDRO CC[N@@H+]1CCN(Cc2c(O)ccc(F)c2Cl)C(C)(C)C1 ZINC001237127881 1090287318 /nfs/dbraw/zinc/28/73/18/1090287318.db2.gz JIYAGDXPZUHNAQ-UHFFFAOYSA-N 1 0 300.805 3.101 20 10 DGCDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC001203550075 1090585062 /nfs/dbraw/zinc/58/50/62/1090585062.db2.gz GTXHHJNFUTWYES-OAHLLOKOSA-N 1 0 320.433 3.271 20 10 DGCDRO CCC(C)(C)CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001128148896 1090689692 /nfs/dbraw/zinc/68/96/92/1090689692.db2.gz VZQNNJIJJHUQNM-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO COc1ccccc1-n1nccc1C[NH2+][C@H](C)c1ccccc1O ZINC001203536239 1090750414 /nfs/dbraw/zinc/75/04/14/1090750414.db2.gz KHKBARXDALDDIS-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC001203550141 1090753276 /nfs/dbraw/zinc/75/32/76/1090753276.db2.gz JPOWJZZZMRGISB-CQSZACIVSA-N 1 0 320.433 3.224 20 10 DGCDRO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1O ZINC001203555705 1090753879 /nfs/dbraw/zinc/75/38/79/1090753879.db2.gz CQFIGTMSOJSVEL-DZGCQCFKSA-N 1 0 320.433 3.270 20 10 DGCDRO Oc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001203552691 1090754816 /nfs/dbraw/zinc/75/48/16/1090754816.db2.gz QMVQEPNUFOVQJI-XLIONFOSSA-N 1 0 324.424 3.468 20 10 DGCDRO O=C1OC2(CC[NH+](Cc3ccccc3O)CC2)c2ccccc21 ZINC001203556465 1090755161 /nfs/dbraw/zinc/75/51/61/1090755161.db2.gz QRSNXWADLLSBNQ-UHFFFAOYSA-N 1 0 309.365 3.054 20 10 DGCDRO CCCc1noc(C2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC001203558614 1090755492 /nfs/dbraw/zinc/75/54/92/1090755492.db2.gz PRBIVINOMHSJML-UHFFFAOYSA-N 1 0 301.390 3.107 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c1O ZINC001203601707 1090765439 /nfs/dbraw/zinc/76/54/39/1090765439.db2.gz HRFPBKQKMQGXQE-ZDUSSCGKSA-N 1 0 303.402 3.125 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c1O ZINC001203613691 1090766212 /nfs/dbraw/zinc/76/62/12/1090766212.db2.gz FKGCSKHZOXHWMB-OAHLLOKOSA-N 1 0 305.418 3.039 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c1O ZINC001203609014 1090766600 /nfs/dbraw/zinc/76/66/00/1090766600.db2.gz GBTVZLVNZSLDRN-QGZVFWFLSA-N 1 0 312.413 3.393 20 10 DGCDRO COc1cccc(CCC[N@H+](C)Cc2ccc(OC)cc2O)c1 ZINC001203629368 1090769232 /nfs/dbraw/zinc/76/92/32/1090769232.db2.gz YFOMBBLNEKURGZ-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO C[N@H+](Cc1cc(Br)ccc1O)C1CC(F)(F)C1 ZINC001203636111 1090771130 /nfs/dbraw/zinc/77/11/30/1090771130.db2.gz OQFNJJRJKMEWAV-UHFFFAOYSA-N 1 0 306.150 3.384 20 10 DGCDRO Cc1ncccc1C[N@@H+](C)Cc1cc(Br)ccc1O ZINC001203649955 1090773724 /nfs/dbraw/zinc/77/37/24/1090773724.db2.gz KGFLVRKFBKLRLL-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001203663718 1090775826 /nfs/dbraw/zinc/77/58/26/1090775826.db2.gz FJTTVIMXYNLDLU-ZDUSSCGKSA-N 1 0 303.736 3.046 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001203665505 1090776398 /nfs/dbraw/zinc/77/63/98/1090776398.db2.gz MVIYCRKAYCEKIQ-LSDHHAIUSA-N 1 0 312.816 3.054 20 10 DGCDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001203682785 1090779637 /nfs/dbraw/zinc/77/96/37/1090779637.db2.gz NNYYHBSKTGTSQC-MXASKKJJSA-N 1 0 318.436 3.044 20 10 DGCDRO CC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(O)c(O)c1 ZINC001203879806 1090825158 /nfs/dbraw/zinc/82/51/58/1090825158.db2.gz FKUYNEAELZGMMH-UHFFFAOYSA-N 1 0 301.386 3.171 20 10 DGCDRO Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)cc1 ZINC001203878628 1090825521 /nfs/dbraw/zinc/82/55/21/1090825521.db2.gz ITOBYQOIGSILJT-KRWDZBQOSA-N 1 0 313.397 3.450 20 10 DGCDRO C[N@H+](Cc1cccc(Br)c1)Cc1ccc(O)c(O)c1 ZINC001203875671 1090825602 /nfs/dbraw/zinc/82/56/02/1090825602.db2.gz SJABDABRYWPKPJ-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO Oc1ccc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1O ZINC001203879719 1090825920 /nfs/dbraw/zinc/82/59/20/1090825920.db2.gz ZDUBCKLXIRSADW-UHFFFAOYSA-N 1 0 317.360 3.280 20 10 DGCDRO Cc1ccc(OC2CC[NH+](Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001203879274 1090826307 /nfs/dbraw/zinc/82/63/07/1090826307.db2.gz NSVAALNQLDHHEF-UHFFFAOYSA-N 1 0 313.397 3.450 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001203934394 1090843055 /nfs/dbraw/zinc/84/30/55/1090843055.db2.gz TZCHXYGRFNEMJD-UHFFFAOYSA-N 1 0 323.484 3.113 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)cc1 ZINC001203931889 1090843103 /nfs/dbraw/zinc/84/31/03/1090843103.db2.gz XTUPPAXKAIRHEU-OALUTQOASA-N 1 0 306.409 3.165 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C(=O)OC)CC[C@H]2C)cc1 ZINC001203940534 1090844647 /nfs/dbraw/zinc/84/46/47/1090844647.db2.gz OSJHLHGKYMIOLM-NVXWUHKLSA-N 1 0 318.461 3.306 20 10 DGCDRO CCN(CC[NH+]1CCCC1)Cc1ccc(N(CC)CC)cc1 ZINC001203939827 1090844733 /nfs/dbraw/zinc/84/47/33/1090844733.db2.gz WJITXKQOVAABTC-UHFFFAOYSA-N 1 0 303.494 3.451 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC001203936371 1090844778 /nfs/dbraw/zinc/84/47/78/1090844778.db2.gz MKOSRYAEVZXGOI-RDJZCZTQSA-N 1 0 318.461 3.164 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC)C2)cc1 ZINC001203941685 1090845152 /nfs/dbraw/zinc/84/51/52/1090845152.db2.gz FHPBJZZXGXNDES-KRWDZBQOSA-N 1 0 318.461 3.308 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)cc1 ZINC001203945473 1090847162 /nfs/dbraw/zinc/84/71/62/1090847162.db2.gz MZEBPWJJYLQSHI-KRWDZBQOSA-N 1 0 303.494 3.447 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)CC2)cc1 ZINC001203946062 1090847926 /nfs/dbraw/zinc/84/79/26/1090847926.db2.gz SNHUXCGOJUNPGK-KRWDZBQOSA-N 1 0 318.461 3.308 20 10 DGCDRO CO[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@@H]1F ZINC001204233981 1090930161 /nfs/dbraw/zinc/93/01/61/1090930161.db2.gz VRWWRUMYAIKBSA-WMZOPIPTSA-N 1 0 302.393 3.075 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@@H]1O ZINC001204233175 1090930736 /nfs/dbraw/zinc/93/07/36/1090930736.db2.gz OOUSKQAYXXGJEL-YWZLYKJASA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c2ccccc21 ZINC001204240390 1090931091 /nfs/dbraw/zinc/93/10/91/1090931091.db2.gz QXKGVIARFUIZRR-LAUBAEHRSA-N 1 0 323.484 3.432 20 10 DGCDRO Oc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(O)c1 ZINC001204273744 1090938018 /nfs/dbraw/zinc/93/80/18/1090938018.db2.gz SWENVVKCBYLUNR-UHFFFAOYSA-N 1 0 318.804 3.073 20 10 DGCDRO CC(C)(C)OC(=O)CC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204279941 1090939336 /nfs/dbraw/zinc/93/93/36/1090939336.db2.gz FUIFBVFFPHWKDF-UHFFFAOYSA-N 1 0 321.417 3.042 20 10 DGCDRO c1cncc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)c1 ZINC001204320995 1090948179 /nfs/dbraw/zinc/94/81/79/1090948179.db2.gz BXVKQWVLBQWWME-UHFFFAOYSA-N 1 0 322.456 3.004 20 10 DGCDRO c1cnc(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC001204323045 1090949186 /nfs/dbraw/zinc/94/91/86/1090949186.db2.gz ZTFLDNSIJRSHNO-UHFFFAOYSA-N 1 0 322.456 3.456 20 10 DGCDRO COc1cc(Br)cc(CN2C[C@H](F)C[C@H]2C)c1O ZINC001204336465 1090951416 /nfs/dbraw/zinc/95/14/16/1090951416.db2.gz QISHVTOHJHSEHY-LDYMZIIASA-N 1 0 318.186 3.096 20 10 DGCDRO CC(C)(C)CC[NH+]1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001204374504 1090959189 /nfs/dbraw/zinc/95/91/89/1090959189.db2.gz KYJSKZZBAUOBRJ-UHFFFAOYSA-N 1 0 312.404 3.224 20 10 DGCDRO COc1cc(C)cc(C[N@H+](CCO)[C@@H](C)c2ccccc2)c1O ZINC001204450171 1090972273 /nfs/dbraw/zinc/97/22/73/1090972273.db2.gz QTEJYYQVOWGHPL-HNNXBMFYSA-N 1 0 315.413 3.265 20 10 DGCDRO CCCC[N@H+](CCOC)Cc1c(O)cccc1Br ZINC001204866407 1091050167 /nfs/dbraw/zinc/05/01/67/1091050167.db2.gz MTIMYLWEEWKZLE-UHFFFAOYSA-N 1 0 316.239 3.403 20 10 DGCDRO [NH3+][C@@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC12CC2 ZINC001204911627 1091060677 /nfs/dbraw/zinc/06/06/77/1091060677.db2.gz KGVMOEFNMHFUGU-GOSISDBHSA-N 1 0 312.388 3.121 20 10 DGCDRO CC[C@H](C)[C@@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)OC ZINC001205101413 1091102127 /nfs/dbraw/zinc/10/21/27/1091102127.db2.gz SBSKIDZNEJTXHK-KVSKMBFKSA-N 1 0 321.461 3.434 20 10 DGCDRO C[C@]1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCCCO1 ZINC001205101922 1091102639 /nfs/dbraw/zinc/10/26/39/1091102639.db2.gz YOHVOEMNGXQVSA-PKOBYXMFSA-N 1 0 319.445 3.332 20 10 DGCDRO CC[NH+](CC)CCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC001138213891 1091118579 /nfs/dbraw/zinc/11/85/79/1091118579.db2.gz FEXNTIHNZDFUDV-UHFFFAOYSA-N 1 0 303.494 3.451 20 10 DGCDRO Cc1c(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c2ccccc2n1C ZINC001138258056 1091126204 /nfs/dbraw/zinc/12/62/04/1091126204.db2.gz JPBPTZFJPXBOQN-KRWDZBQOSA-N 1 0 320.383 3.487 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(C)n(C)c2ccccc12 ZINC001138258118 1091126295 /nfs/dbraw/zinc/12/62/95/1091126295.db2.gz LYGGZDINBOWVFO-AWEZNQCLSA-N 1 0 300.402 3.014 20 10 DGCDRO Cc1c(C[N@@H+]2CCC[C@](F)(CO)CC2)c2ccccc2n1C ZINC001138252621 1091126465 /nfs/dbraw/zinc/12/64/65/1091126465.db2.gz NUHLAFPKWVEONQ-GOSISDBHSA-N 1 0 304.409 3.173 20 10 DGCDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c2ccccc2n1C ZINC001138252751 1091126813 /nfs/dbraw/zinc/12/68/13/1091126813.db2.gz SRQBWPPAKVQGMC-KUHUBIRLSA-N 1 0 300.446 3.470 20 10 DGCDRO Cc1c(C[NH+]2CCC(N3CC(F)C3)CC2)c2ccccc2n1C ZINC001138258655 1091127255 /nfs/dbraw/zinc/12/72/55/1091127255.db2.gz XRHMBCUVVGEWPZ-UHFFFAOYSA-N 1 0 315.436 3.105 20 10 DGCDRO Oc1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc2c3c1CCCN3CCC2 ZINC001138336948 1091144806 /nfs/dbraw/zinc/14/48/06/1091144806.db2.gz IJGBADWDXQZOHF-JLJPHGGASA-N 1 0 316.420 3.023 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)ccc21 ZINC001138354249 1091150552 /nfs/dbraw/zinc/15/05/52/1091150552.db2.gz CDVDXZILOQACOP-HKUYNNGSSA-N 1 0 300.446 3.070 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCc4cc(CO)ccc4C3)ccc21 ZINC001138354411 1091150742 /nfs/dbraw/zinc/15/07/42/1091150742.db2.gz IOIIASHDJMBYAH-UHFFFAOYSA-N 1 0 322.452 3.120 20 10 DGCDRO CCCOC1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138358125 1091152308 /nfs/dbraw/zinc/15/23/08/1091152308.db2.gz MOMYMTNISLBGOZ-UHFFFAOYSA-N 1 0 302.462 3.460 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H](c4ccncc4)C3)ccc21 ZINC001138357071 1091152517 /nfs/dbraw/zinc/15/25/17/1091152517.db2.gz BWQHLPZJGYWHAX-IBGZPJMESA-N 1 0 307.441 3.454 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c(OC)c1 ZINC001138390343 1091165292 /nfs/dbraw/zinc/16/52/92/1091165292.db2.gz RYJGFWZLMQJPOF-IBGZPJMESA-N 1 0 318.461 3.296 20 10 DGCDRO CC[N@H+](Cc1ccnn1[C@@H]1CCCCO1)Cc1ccccc1O ZINC001138783247 1091326914 /nfs/dbraw/zinc/32/69/14/1091326914.db2.gz TWNJFGBKYJOKHD-SFHVURJKSA-N 1 0 315.417 3.310 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccccc2N(C)C)c(O)c1 ZINC001206078611 1091483372 /nfs/dbraw/zinc/48/33/72/1091483372.db2.gz WXDNGUMCMIZOAU-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO [NH3+][C@H]1CN(Cc2cccc(-c3ccccc3)c2O)CC(F)(F)C1 ZINC001206138507 1091506610 /nfs/dbraw/zinc/50/66/10/1091506610.db2.gz CMCAZPVGUPDKLK-OAHLLOKOSA-N 1 0 318.367 3.228 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)c(C)n1-c1ccccc1 ZINC001206164220 1091516145 /nfs/dbraw/zinc/51/61/45/1091516145.db2.gz JPTVRVOZRUVHIA-RTBURBONSA-N 1 0 315.436 3.355 20 10 DGCDRO C[C@]1(C[NH3+])CCCCN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001206575203 1091674878 /nfs/dbraw/zinc/67/48/78/1091674878.db2.gz UZVPXVBCFAYNJP-OAHLLOKOSA-N 1 0 300.805 3.136 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(C)C)cc1C ZINC001085136637 1091686341 /nfs/dbraw/zinc/68/63/41/1091686341.db2.gz GDBJVTUYQJSGGI-IAGOWNOFSA-N 1 0 318.461 3.177 20 10 DGCDRO CC(C)OCC[NH+](CCOC(C)C)Cc1cc(F)ccc1O ZINC001140055808 1091751351 /nfs/dbraw/zinc/75/13/51/1091751351.db2.gz WFBRYFLJRCRKPU-UHFFFAOYSA-N 1 0 313.413 3.183 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1O ZINC001140055137 1091751701 /nfs/dbraw/zinc/75/17/01/1091751701.db2.gz LBIWOXQXMBRWTI-HNNXBMFYSA-N 1 0 314.404 3.238 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001140056056 1091751861 /nfs/dbraw/zinc/75/18/61/1091751861.db2.gz GLVLHWFRBULIJL-HOTGVXAUSA-N 1 0 312.388 3.100 20 10 DGCDRO Cc1cccnc1OC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140056033 1091752134 /nfs/dbraw/zinc/75/21/34/1091752134.db2.gz FCOQBCVJGAVCFN-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO CCOC(=O)C1(C)CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140182265 1091793511 /nfs/dbraw/zinc/79/35/11/1091793511.db2.gz NAUSOEKLDYULSS-UHFFFAOYSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1ccc(C)c(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001140179892 1091794123 /nfs/dbraw/zinc/79/41/23/1091794123.db2.gz QPOLDOOOACOCFH-LJQANCHMSA-N 1 0 310.441 3.498 20 10 DGCDRO Cc1nc(C2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)no1 ZINC001140181757 1091794132 /nfs/dbraw/zinc/79/41/32/1091794132.db2.gz FPOJEEILCXJWSO-UHFFFAOYSA-N 1 0 301.390 3.080 20 10 DGCDRO CCOC(=O)C1(C)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140341485 1091834474 /nfs/dbraw/zinc/83/44/74/1091834474.db2.gz QRGBQIBOVLNGCR-UHFFFAOYSA-N 1 0 311.809 3.211 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001140464272 1091876913 /nfs/dbraw/zinc/87/69/13/1091876913.db2.gz JCIKRJXICTYJSW-MRXNPFEDSA-N 1 0 318.804 3.484 20 10 DGCDRO Cc1cnccc1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140468336 1091878723 /nfs/dbraw/zinc/87/87/23/1091878723.db2.gz GOYYBTJGWFXHMN-HNNXBMFYSA-N 1 0 318.804 3.402 20 10 DGCDRO Cc1ccc(O)c(CN2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC001140621358 1091934656 /nfs/dbraw/zinc/93/46/56/1091934656.db2.gz YQBZSLQWMJMJBR-UHFFFAOYSA-N 1 0 302.462 3.397 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)c1 ZINC001140621267 1091934783 /nfs/dbraw/zinc/93/47/83/1091934783.db2.gz SSXDXOWMVYIRJC-UHFFFAOYSA-N 1 0 323.392 3.362 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CC2(C1)CCCC2 ZINC001140660289 1091949746 /nfs/dbraw/zinc/94/97/46/1091949746.db2.gz NGTWGCYTEOVBBJ-UHFFFAOYSA-N 1 0 304.409 3.038 20 10 DGCDRO CCCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207385895 1091950611 /nfs/dbraw/zinc/95/06/11/1091950611.db2.gz ZFUDORFMDCGVPW-KRWDZBQOSA-N 1 0 318.461 3.274 20 10 DGCDRO Cc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140746427 1091983912 /nfs/dbraw/zinc/98/39/12/1091983912.db2.gz YRLUCYDOUKDPRI-INIZCTEOSA-N 1 0 313.397 3.368 20 10 DGCDRO Cc1c(O)ccc(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)c1O ZINC001140751258 1091984584 /nfs/dbraw/zinc/98/45/84/1091984584.db2.gz PACUNDBQEQVUFA-CYBMUJFWSA-N 1 0 303.402 3.130 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1O ZINC001140749700 1091984763 /nfs/dbraw/zinc/98/47/63/1091984763.db2.gz JSGLYIKVHZZIJE-MRXNPFEDSA-N 1 0 311.381 3.111 20 10 DGCDRO CC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(O)c(C)c1O ZINC001140750246 1091985824 /nfs/dbraw/zinc/98/58/24/1091985824.db2.gz YGOOQUBPLGCQHV-UHFFFAOYSA-N 1 0 315.413 3.479 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1 ZINC001140851063 1092029291 /nfs/dbraw/zinc/02/92/91/1092029291.db2.gz ZRDJFBWZINMCHW-APWZRJJASA-N 1 0 318.461 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2C(C)=O)c(O)c1 ZINC001140855774 1092031820 /nfs/dbraw/zinc/03/18/20/1092031820.db2.gz JYSLMDJVAFTDDQ-KRWDZBQOSA-N 1 0 304.434 3.182 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@](C)(O)c1cccc(F)c1 ZINC001207604914 1092038570 /nfs/dbraw/zinc/03/85/70/1092038570.db2.gz SBMPBEJNESAHPM-IBGZPJMESA-N 1 0 316.420 3.197 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCc2ccncc2)c(Cl)c1 ZINC001140923776 1092064716 /nfs/dbraw/zinc/06/47/16/1092064716.db2.gz INTHTMKJGXMZBH-UHFFFAOYSA-N 1 0 303.837 3.476 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(Cl)c1 ZINC001140925826 1092065643 /nfs/dbraw/zinc/06/56/43/1092065643.db2.gz WJJDWLQPQOTZGQ-QGZVFWFLSA-N 1 0 308.853 3.409 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(COc3cccnc3)CC2)c(O)c1 ZINC001140948125 1092076140 /nfs/dbraw/zinc/07/61/40/1092076140.db2.gz ULFYNMWPIALQDP-UHFFFAOYSA-N 1 0 312.413 3.387 20 10 DGCDRO Cc1ccc(C[N@H+](C)Cc2cncc(Br)c2)c(O)c1 ZINC001140952272 1092076958 /nfs/dbraw/zinc/07/69/58/1092076958.db2.gz KRWUKICZLBXZBX-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3C)C2)c(O)c1 ZINC001140954225 1092079878 /nfs/dbraw/zinc/07/98/78/1092079878.db2.gz NNXJOHPWADMSPU-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO CCCc1noc([C@@H]2CCC[N@H+](Cc3ccc(C)cc3O)C2)n1 ZINC001140957525 1092080350 /nfs/dbraw/zinc/08/03/50/1092080350.db2.gz CMJCWHUXIRGBFL-OAHLLOKOSA-N 1 0 315.417 3.416 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(OC)c1 ZINC001141026901 1092111337 /nfs/dbraw/zinc/11/13/37/1092111337.db2.gz HHWRBEKVHDIHGL-SNVBAGLBSA-N 1 0 319.323 3.184 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)c1O ZINC001207837268 1092113031 /nfs/dbraw/zinc/11/30/31/1092113031.db2.gz NVRRLLAFIAGKFN-INIZCTEOSA-N 1 0 307.434 3.346 20 10 DGCDRO C[C@]1(O)CCCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074272 1092128117 /nfs/dbraw/zinc/12/81/17/1092128117.db2.gz DOIJUAIDRCASBS-FQEVSTJZSA-N 1 0 314.473 3.122 20 10 DGCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077818 1092129388 /nfs/dbraw/zinc/12/93/88/1092129388.db2.gz AOXZTGQXOVCDNN-SFHVURJKSA-N 1 0 314.473 3.121 20 10 DGCDRO CCO[C@@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076033 1092129608 /nfs/dbraw/zinc/12/96/08/1092129608.db2.gz KGKCHZDCAPKHAT-LJQANCHMSA-N 1 0 314.473 3.386 20 10 DGCDRO COCC[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)C(C)C ZINC001141075907 1092130236 /nfs/dbraw/zinc/13/02/36/1092130236.db2.gz FZDHDJQPKBHBGJ-UHFFFAOYSA-N 1 0 302.462 3.242 20 10 DGCDRO c1c(C[N@@H+]2CCC[C@]3(CCO3)C2)cc2c3c1CCCN3CCC2 ZINC001141078359 1092131567 /nfs/dbraw/zinc/13/15/67/1092131567.db2.gz UHLPZAQXMLYDPV-FQEVSTJZSA-N 1 0 312.457 3.140 20 10 DGCDRO c1c(C[N@@H+]2CCOCC23CCC3)cc2c3c1CCCN3CCC2 ZINC001141078313 1092131796 /nfs/dbraw/zinc/13/17/96/1092131796.db2.gz RCMTYESOMVZNRW-UHFFFAOYSA-N 1 0 312.457 3.140 20 10 DGCDRO Cc1cccc(CC[N@@H+](C)Cc2ccc3c(c2)OCCN3C)c1 ZINC001141143716 1092150179 /nfs/dbraw/zinc/15/01/79/1092150179.db2.gz HBXBHVBBHJPDFI-UHFFFAOYSA-N 1 0 310.441 3.498 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)CCC(C)(C)C)cc1C ZINC001168796147 1092366198 /nfs/dbraw/zinc/36/61/98/1092366198.db2.gz VQMJPTAEEXTEMK-UHFFFAOYSA-N 1 0 320.477 3.426 20 10 DGCDRO CC[N@@H+](Cc1ccccc1O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC001208623949 1092434650 /nfs/dbraw/zinc/43/46/50/1092434650.db2.gz XIKJNJHLJXPKAI-UHFFFAOYSA-N 1 0 320.433 3.081 20 10 DGCDRO CC[N@@H+](Cc1ccccc1O)C[C@H]1COC2(CCCCC2)O1 ZINC001208641906 1092439095 /nfs/dbraw/zinc/43/90/95/1092439095.db2.gz PJIJGTVZUUTLBR-INIZCTEOSA-N 1 0 305.418 3.290 20 10 DGCDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC001169094972 1092523804 /nfs/dbraw/zinc/52/38/04/1092523804.db2.gz ODDDIWSGPRRXCG-VJDPLVQDSA-N 1 0 313.489 3.392 20 10 DGCDRO CC(C)(C)c1cccc(C[NH+]2CCC3(CCOC3=O)CC2)c1O ZINC001143111871 1092616768 /nfs/dbraw/zinc/61/67/68/1092616768.db2.gz HAMOODVBIQUFME-UHFFFAOYSA-N 1 0 317.429 3.219 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001143116826 1092618621 /nfs/dbraw/zinc/61/86/21/1092618621.db2.gz LRCFTFFMQZNBMB-DZGCQCFKSA-N 1 0 301.430 3.491 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CCC(C)(C)OC)C1 ZINC001209409426 1092762253 /nfs/dbraw/zinc/76/22/53/1092762253.db2.gz XRELZJYUBSDDHE-UHFFFAOYSA-N 1 0 316.445 3.360 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001209518850 1092805983 /nfs/dbraw/zinc/80/59/83/1092805983.db2.gz USUVRGMWFDFSAP-HXUWFJFHSA-N 1 0 309.457 3.374 20 10 DGCDRO CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)Cc1ccccc1O ZINC001209716873 1092891479 /nfs/dbraw/zinc/89/14/79/1092891479.db2.gz OCNUSQDOEOOGQA-UHFFFAOYSA-N 1 0 315.369 3.152 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCN[C@H](Cc3ccccc3)C2)c1O ZINC001210357058 1093136359 /nfs/dbraw/zinc/13/63/59/1093136359.db2.gz QOEDSBWUSRVVSU-GOSISDBHSA-N 1 0 310.441 3.026 20 10 DGCDRO Oc1cc(OC(F)(F)F)ccc1Nc1cc[nH+]c2c1CCC2 ZINC001214387535 1093764686 /nfs/dbraw/zinc/76/46/86/1093764686.db2.gz HVAHKKKOLCYLAN-UHFFFAOYSA-N 1 0 310.275 3.340 20 10 DGCDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1O ZINC000179328057 1093782756 /nfs/dbraw/zinc/78/27/56/1093782756.db2.gz PEXINRWTYROFAU-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000401529218 1093953498 /nfs/dbraw/zinc/95/34/98/1093953498.db2.gz PIYJCAFAIDEBDZ-HNNXBMFYSA-N 1 0 320.433 3.270 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001120361737 1094414270 /nfs/dbraw/zinc/41/42/70/1094414270.db2.gz BFFWLAPBFTYCIR-NXOXCILZSA-N 1 0 309.409 3.497 20 10 DGCDRO C[C@@H]1CC[C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C[NH2+]1 ZINC001217701123 1094476090 /nfs/dbraw/zinc/47/60/90/1094476090.db2.gz BKMKLLLLMMRXHP-HIFRSBDPSA-N 1 0 308.385 3.383 20 10 DGCDRO C[C@H](CCc1ccccc1)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218289234 1094699392 /nfs/dbraw/zinc/69/93/92/1094699392.db2.gz LOKHFUASLGCWIQ-QGZVFWFLSA-N 1 0 310.441 3.496 20 10 DGCDRO CN(C)c1ccc(/N=N/c2ccccn2)c(O[C@@H]2C=CC[NH2+]C2)c1 ZINC001218335027 1094723903 /nfs/dbraw/zinc/72/39/03/1094723903.db2.gz SSFNENPJOFANCJ-UCMDFWOYSA-N 1 0 323.400 3.470 20 10 DGCDRO CN(C)c1ccc(/N=N/c2ccccn2)c(O[C@H]2C=CC[NH2+]C2)c1 ZINC001218335026 1094724233 /nfs/dbraw/zinc/72/42/33/1094724233.db2.gz SSFNENPJOFANCJ-SKAIHHOBSA-N 1 0 323.400 3.470 20 10 DGCDRO C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]2C1 ZINC001336889367 1094774399 /nfs/dbraw/zinc/77/43/99/1094774399.db2.gz SQBDVQVXOBIRCF-BPLDGKMQSA-N 1 0 308.853 3.208 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1OC ZINC001337001248 1094809460 /nfs/dbraw/zinc/80/94/60/1094809460.db2.gz PRFLRGPQNNTEQM-UONOGXRCSA-N 1 0 305.418 3.422 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)cc1O ZINC001170902780 1094900544 /nfs/dbraw/zinc/90/05/44/1094900544.db2.gz RMBGEOOWFMTPEB-ZDUSSCGKSA-N 1 0 303.789 3.398 20 10 DGCDRO COCCCC[N@H+](C)Cc1ccc(Br)cc1O ZINC000691683326 1094948718 /nfs/dbraw/zinc/94/87/18/1094948718.db2.gz RONFDWURQWASCL-UHFFFAOYSA-N 1 0 302.212 3.013 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000314705432 1095061865 /nfs/dbraw/zinc/06/18/65/1095061865.db2.gz JZZURUNKHNMUHH-RDBSUJKOSA-N 1 0 304.434 3.143 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000315473544 1095108184 /nfs/dbraw/zinc/10/81/84/1095108184.db2.gz KCSDXZZGEVZTCQ-CZUORRHYSA-N 1 0 300.446 3.465 20 10 DGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000315997983 1095151996 /nfs/dbraw/zinc/15/19/96/1095151996.db2.gz ZUMAIONWXZOCMS-NUJGCVRESA-N 1 0 302.462 3.438 20 10 DGCDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116032461 1095442520 /nfs/dbraw/zinc/44/25/20/1095442520.db2.gz JSZVZRUJCKWTJO-OALUTQOASA-N 1 0 301.478 3.249 20 10 DGCDRO [O-]c1c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccc(F)c1F ZINC001222166705 1095471454 /nfs/dbraw/zinc/47/14/54/1095471454.db2.gz CHMPGMJWZIXOTQ-SFHVURJKSA-N 1 0 324.415 3.416 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277829 1095524648 /nfs/dbraw/zinc/52/46/48/1095524648.db2.gz SUVASBFVWSLESD-MRXNPFEDSA-N 1 0 312.816 3.150 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CCC2(CCCC[NH2+]2)CC1 ZINC001222298560 1095538060 /nfs/dbraw/zinc/53/80/60/1095538060.db2.gz ZZXLVOHYEFETIO-UHFFFAOYSA-N 1 0 312.816 3.293 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)ccc1N(C)C ZINC001139669623 1095600348 /nfs/dbraw/zinc/60/03/48/1095600348.db2.gz DRMGAJMATHHVIR-FUHWJXTLSA-N 1 0 300.446 3.395 20 10 DGCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC[NH2+]C(C)(C)C ZINC001124550445 1095603520 /nfs/dbraw/zinc/60/35/20/1095603520.db2.gz DICYJPJXBCKEQB-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC001116568788 1095603526 /nfs/dbraw/zinc/60/35/26/1095603526.db2.gz USUJSJIZOSTUGG-NWDGAFQWSA-N 1 0 309.406 3.172 20 10 DGCDRO CC[N@H+](CCC1CC1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116583616 1095607543 /nfs/dbraw/zinc/60/75/43/1095607543.db2.gz LVQRLTHLJLDRJH-UHFFFAOYSA-N 1 0 319.468 3.200 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222427262 1095609079 /nfs/dbraw/zinc/60/90/79/1095609079.db2.gz PKKZWMZMLFUZNC-FQEVSTJZSA-N 1 0 313.489 3.395 20 10 DGCDRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116920651 1095701507 /nfs/dbraw/zinc/70/15/07/1095701507.db2.gz FTUFYAJEEXXQME-HXUWFJFHSA-N 1 0 324.468 3.370 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC001137854172 1095766386 /nfs/dbraw/zinc/76/63/86/1095766386.db2.gz LANSVDYJSABTQV-FUHWJXTLSA-N 1 0 316.420 3.246 20 10 DGCDRO CO[C@@H]1CN(Cc2cc(C)n(-c3ccccc3)c2C)C[C@@H]1F ZINC001137853981 1095767025 /nfs/dbraw/zinc/76/70/25/1095767025.db2.gz CUGVBHDELZJMJR-ZWKOTPCHSA-N 1 0 302.393 3.263 20 10 DGCDRO Cc1cc(C[NH+]2CCN(CCF)CC2)c(C)n1-c1ccccc1 ZINC001137857739 1095768694 /nfs/dbraw/zinc/76/86/94/1095768694.db2.gz LMBVQCDWSWMAEQ-UHFFFAOYSA-N 1 0 315.436 3.181 20 10 DGCDRO CCc1cccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC001118260487 1095968500 /nfs/dbraw/zinc/96/85/00/1095968500.db2.gz BCVRLKUSGBDZDH-UHFFFAOYSA-N 1 0 323.440 3.099 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001118287437 1095976252 /nfs/dbraw/zinc/97/62/52/1095976252.db2.gz ZLMAPVQOIUNTHB-ROUUACIJSA-N 1 0 317.477 3.009 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)cc1 ZINC001118420357 1096005692 /nfs/dbraw/zinc/00/56/92/1096005692.db2.gz OGMUSSXPKLGTRD-AYGBPOKTSA-N 1 0 322.399 3.297 20 10 DGCDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC001118577317 1096040904 /nfs/dbraw/zinc/04/09/04/1096040904.db2.gz MSRZMHAMUJBAES-ZWNOBZJWSA-N 1 0 316.239 3.041 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC001118805949 1096080871 /nfs/dbraw/zinc/08/08/71/1096080871.db2.gz MDVFDRMNHYTYRK-FQEVSTJZSA-N 1 0 313.489 3.393 20 10 DGCDRO CCC(O)(CC)C[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC001118907262 1096102403 /nfs/dbraw/zinc/10/24/03/1096102403.db2.gz MXVKWVLXFSNORD-UHFFFAOYSA-N 1 0 313.825 3.231 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c1O ZINC001119512186 1096216999 /nfs/dbraw/zinc/21/69/99/1096216999.db2.gz MXCFQDAXZGMAGZ-KRWDZBQOSA-N 1 0 305.418 3.004 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(N(C)C)cc1 ZINC001172112613 1097059798 /nfs/dbraw/zinc/05/97/98/1097059798.db2.gz YFAGQXNMNVMZKP-WQCNXYOZSA-N 1 0 301.478 3.419 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCc3ncsc3C2)cc1 ZINC001173140509 1097343335 /nfs/dbraw/zinc/34/33/35/1097343335.db2.gz HPPPAKOMAUXFDW-OAHLLOKOSA-N 1 0 301.459 3.198 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2COc3cccc(OC)c3C2)cc1C ZINC001173151569 1097350281 /nfs/dbraw/zinc/35/02/81/1097350281.db2.gz VMEOAYCVFMCZIB-OAHLLOKOSA-N 1 0 313.397 3.106 20 10 DGCDRO O=C1c2ccccc2C(=O)c2cc(Nc3cc[nH+]cc3)ccc21 ZINC001173882827 1097545102 /nfs/dbraw/zinc/54/51/02/1097545102.db2.gz WEVPEPDOSBRCSO-UHFFFAOYSA-N 1 0 300.317 3.023 20 10 DGCDRO COc1ccc(Br)c(C[N@@H+]2CC[C@@H](C)C2)c1O ZINC001231550224 1097778088 /nfs/dbraw/zinc/77/80/88/1097778088.db2.gz KRWJZKBWTKULTA-SECBINFHSA-N 1 0 300.196 3.005 20 10 DGCDRO Cc1cccc(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)c1O ZINC001231594040 1097786815 /nfs/dbraw/zinc/78/68/15/1097786815.db2.gz BYLAUDNMLBAUPP-UHFFFAOYSA-N 1 0 322.449 3.437 20 10 DGCDRO Cc1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1O ZINC001231592086 1097787448 /nfs/dbraw/zinc/78/74/48/1097787448.db2.gz GRUHJKAYRUPQPD-AZUAARDMSA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1cccc(C[N@H+]2CCCN(c3ncccc3C)CC2)c1O ZINC001231593181 1097787539 /nfs/dbraw/zinc/78/75/39/1097787539.db2.gz QHMWYZPOCRPRLM-UHFFFAOYSA-N 1 0 311.429 3.116 20 10 DGCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cccc(C)c1O)C2 ZINC001231591621 1097787648 /nfs/dbraw/zinc/78/76/48/1097787648.db2.gz IVTIFFFLDNXLSI-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(Oc3ncccc3C)CC2)c1O ZINC001231595227 1097788375 /nfs/dbraw/zinc/78/83/75/1097788375.db2.gz RGZSOMIKJUGRRY-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccccc2Cl)c(O)cc1O ZINC001231635490 1097796957 /nfs/dbraw/zinc/79/69/57/1097796957.db2.gz DJBDCFCBGMKKMG-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(Cl)cc2)c(O)cc1O ZINC001231636419 1097797054 /nfs/dbraw/zinc/79/70/54/1097797054.db2.gz VHMGNIZGPCYCPA-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO COc1cc(C[N@H+]2CC=C(c3ccccc3)CC2)c(O)cc1O ZINC001231637134 1097797527 /nfs/dbraw/zinc/79/75/27/1097797527.db2.gz FLUUWAGFBDUMAB-UHFFFAOYSA-N 1 0 311.381 3.396 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCN(c3cccc(F)c3)CC2)c(O)c1 ZINC001231847796 1097861491 /nfs/dbraw/zinc/86/14/91/1097861491.db2.gz DSOGLWXRROKHHO-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231844182 1097862163 /nfs/dbraw/zinc/86/21/63/1097862163.db2.gz FXVGATARJGAJJA-QFBILLFUSA-N 1 0 319.445 3.169 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1c(C)cc(C)cc1O ZINC001231844008 1097862269 /nfs/dbraw/zinc/86/22/69/1097862269.db2.gz DMGFDTNJZUPNGV-UHFFFAOYSA-N 1 0 317.385 3.167 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c(O)c1 ZINC001231844855 1097862789 /nfs/dbraw/zinc/86/27/89/1097862789.db2.gz ONRCINHPJRQNIC-RBUKOAKNSA-N 1 0 311.425 3.187 20 10 DGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3c(C)cc(C)cc3O)C2)n1 ZINC001231848596 1097864306 /nfs/dbraw/zinc/86/43/06/1097864306.db2.gz IZJBUEDCOCOJSV-CQSZACIVSA-N 1 0 315.417 3.334 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2OC)cc1 ZINC001231851402 1097865792 /nfs/dbraw/zinc/86/57/92/1097865792.db2.gz HBLCVPDHMSPFSO-UHFFFAOYSA-N 1 0 314.429 3.402 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@](F)(CO)CC2)cc1Cl ZINC001231866747 1097869306 /nfs/dbraw/zinc/86/93/06/1097869306.db2.gz CUPDEBVGCQSOAQ-OAHLLOKOSA-N 1 0 301.789 3.041 20 10 DGCDRO Cc1cc(O)c(CN2CC3(C2)CC[N@H+](CC2CC2)C3)cc1Cl ZINC001231867007 1097870636 /nfs/dbraw/zinc/87/06/36/1097870636.db2.gz JYJDKCVVMLYGPC-UHFFFAOYSA-N 1 0 320.864 3.272 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)cc1Cl ZINC001231870386 1097871771 /nfs/dbraw/zinc/87/17/71/1097871771.db2.gz XOAJQYPXFCHDIN-TXEJJXNPSA-N 1 0 317.763 3.068 20 10 DGCDRO Oc1c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)ccc2ccccc21 ZINC001231880369 1097876571 /nfs/dbraw/zinc/87/65/71/1097876571.db2.gz CYGANPHUVOSCDF-GASCZTMLSA-N 1 0 319.351 3.259 20 10 DGCDRO O=C1CCCC2(CC[NH+](Cc3ccc4ccccc4c3O)CC2)N1 ZINC001231880070 1097878164 /nfs/dbraw/zinc/87/81/64/1097878164.db2.gz COCKDFIRTJEIPY-UHFFFAOYSA-N 1 0 324.424 3.180 20 10 DGCDRO COC(=O)c1c(C[N@H+](C)C2CCCC2)c2ccccc2n1C ZINC001232407508 1098029809 /nfs/dbraw/zinc/02/98/09/1098029809.db2.gz PSCGNSFKQNFTAN-UHFFFAOYSA-N 1 0 300.402 3.339 20 10 DGCDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1F ZINC001175418886 1098039241 /nfs/dbraw/zinc/03/92/41/1098039241.db2.gz PGLVXHNBZQKICI-GFCCVEGCSA-N 1 0 302.349 3.129 20 10 DGCDRO COc1ccc(CC[N@H+](C)Cc2ccc(N(C)C)cc2O)cc1 ZINC001232838747 1098148988 /nfs/dbraw/zinc/14/89/88/1098148988.db2.gz CZRNJKQBMXZXFN-UHFFFAOYSA-N 1 0 314.429 3.141 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001232838313 1098149449 /nfs/dbraw/zinc/14/94/49/1098149449.db2.gz DKLKWDAMNGQJGK-GFCCVEGCSA-N 1 0 302.340 3.233 20 10 DGCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](C)C2)c2ccccc2n1C ZINC001233270518 1098270230 /nfs/dbraw/zinc/27/02/30/1098270230.db2.gz QGZNDTNXLDHERW-CYBMUJFWSA-N 1 0 300.402 3.197 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC001233287133 1098276407 /nfs/dbraw/zinc/27/64/07/1098276407.db2.gz XYTCLGMIMAVYKH-INIZCTEOSA-N 1 0 314.433 3.118 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233287492 1098277518 /nfs/dbraw/zinc/27/75/18/1098277518.db2.gz RYFFIDXVLFDMOD-CQSZACIVSA-N 1 0 319.445 3.465 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1O ZINC001233287741 1098277765 /nfs/dbraw/zinc/27/77/65/1098277765.db2.gz GAVBDKBNMNKFAO-XHDPSFHLSA-N 1 0 311.809 3.055 20 10 DGCDRO [O-]c1c(C[N@@H+]2CC[C@]3(C2)CCCOC3)cccc1C(F)(F)F ZINC001233418917 1098325115 /nfs/dbraw/zinc/32/51/15/1098325115.db2.gz BNXIPQQNDGTNGO-HNNXBMFYSA-N 1 0 315.335 3.414 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@@]1(C)O ZINC001233452345 1098337279 /nfs/dbraw/zinc/33/72/79/1098337279.db2.gz SNSFAAIFNNEGJP-IINYFYTJSA-N 1 0 303.324 3.004 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001233452453 1098337368 /nfs/dbraw/zinc/33/73/68/1098337368.db2.gz XGFFMWMPKLGEBZ-DOMZBBRYSA-N 1 0 315.335 3.412 20 10 DGCDRO CCOC1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233453993 1098340412 /nfs/dbraw/zinc/34/04/12/1098340412.db2.gz CCBRXLOHXDFOTL-UHFFFAOYSA-N 1 0 303.324 3.412 20 10 DGCDRO C[N@H+](Cc1cncs1)Cc1ccc(C(F)(F)F)cc1O ZINC001233455426 1098340687 /nfs/dbraw/zinc/34/06/87/1098340687.db2.gz KNCWQGGJRVBHQO-UHFFFAOYSA-N 1 0 302.321 3.500 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001233455109 1098341266 /nfs/dbraw/zinc/34/12/66/1098341266.db2.gz WUDARUOEHINFIT-CQSZACIVSA-N 1 0 301.308 3.166 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001233454912 1098341671 /nfs/dbraw/zinc/34/16/71/1098341671.db2.gz OHKDSCPEWIENGA-NSHDSACASA-N 1 0 321.339 3.440 20 10 DGCDRO C[C@H]1C[C@@H](CF)[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727222 1098417009 /nfs/dbraw/zinc/41/70/09/1098417009.db2.gz KMFWJYMLLHXLKW-ONGXEEELSA-N 1 0 307.287 3.471 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](c2ccsc2)N(C)C)cc1F ZINC001177175222 1098492195 /nfs/dbraw/zinc/49/21/95/1098492195.db2.gz DPNHZAPZVWPQIO-KRWDZBQOSA-N 1 0 321.465 3.346 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCC[C@@H](C)C1 ZINC001177261674 1098507744 /nfs/dbraw/zinc/50/77/44/1098507744.db2.gz IPISWIIBOLMLBX-HZPDHXFCSA-N 1 0 302.462 3.222 20 10 DGCDRO C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCC(C)CC1 ZINC001177548875 1098554650 /nfs/dbraw/zinc/55/46/50/1098554650.db2.gz VQODBOWPHNPBNX-DUMMIQTOSA-N 1 0 315.505 3.476 20 10 DGCDRO COc1ccc2ccc(O)c(C[NH+]3CC4(C3)CCCCO4)c2c1 ZINC001234526197 1098580684 /nfs/dbraw/zinc/58/06/84/1098580684.db2.gz RIHBPNGWVVAWBA-UHFFFAOYSA-N 1 0 313.397 3.309 20 10 DGCDRO CC[NH+]1CCN(c2ccc(OC3CCC(OC)CC3)cc2)CC1 ZINC001234657062 1098635014 /nfs/dbraw/zinc/63/50/14/1098635014.db2.gz AMNGUUCYYUTMTA-UHFFFAOYSA-N 1 0 318.461 3.165 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)c3ccccn3)cc2)CC1 ZINC001234657069 1098635276 /nfs/dbraw/zinc/63/52/76/1098635276.db2.gz AQINPUQOPGTLMM-MRXNPFEDSA-N 1 0 311.429 3.364 20 10 DGCDRO CC[NH+]1CCN(c2ccc(OCCOC3CCCC3)cc2)CC1 ZINC001234661460 1098636862 /nfs/dbraw/zinc/63/68/62/1098636862.db2.gz UBQLOQNVGURVQV-UHFFFAOYSA-N 1 0 318.461 3.167 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH2+]CC12CC2 ZINC001234978904 1098731974 /nfs/dbraw/zinc/73/19/74/1098731974.db2.gz HMVXJQXANZQKDX-UHFFFAOYSA-N 1 0 312.388 3.136 20 10 DGCDRO CC(=O)N1CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234990400 1098736393 /nfs/dbraw/zinc/73/63/93/1098736393.db2.gz GSMOCIKIRAHGGS-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO Oc1c(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)cccc1-c1ccccc1 ZINC001235002488 1098744367 /nfs/dbraw/zinc/74/43/67/1098744367.db2.gz QNZSWAHSSBFSKL-ROUUACIJSA-N 1 0 315.388 3.354 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001235004408 1098747127 /nfs/dbraw/zinc/74/71/27/1098747127.db2.gz ARNXEPQYQLXLCB-XHDPSFHLSA-N 1 0 308.853 3.137 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235153113 1098840286 /nfs/dbraw/zinc/84/02/86/1098840286.db2.gz DVBSPVMZNQUAPV-GOSISDBHSA-N 1 0 302.462 3.309 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@H]3C[NH2+][C@H]3C2)cc1Cl ZINC001235197284 1098873043 /nfs/dbraw/zinc/87/30/43/1098873043.db2.gz FXQCSIPFBSBJMQ-NHYWBVRUSA-N 1 0 308.853 3.137 20 10 DGCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)c1O ZINC001235222308 1098891790 /nfs/dbraw/zinc/89/17/90/1098891790.db2.gz VIJBXBQVLDTUNY-RBUKOAKNSA-N 1 0 308.425 3.080 20 10 DGCDRO C[N@@H+]1CCCC[C@H]1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001178696993 1098913799 /nfs/dbraw/zinc/91/37/99/1098913799.db2.gz RHMHOIPDQPWUIP-IBGZPJMESA-N 1 0 323.440 3.286 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC001235394261 1098994272 /nfs/dbraw/zinc/99/42/72/1098994272.db2.gz ZZYWLSNTNGWKND-BETUJISGSA-N 1 0 308.853 3.279 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])CC1CC[NH2+]CC1 ZINC001235432100 1099028167 /nfs/dbraw/zinc/02/81/67/1099028167.db2.gz IFWNUZWJIHQCOV-UHFFFAOYSA-N 1 0 303.233 3.130 20 10 DGCDRO [NH3+]C[C@]1(F)CCCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001206372316 1099039948 /nfs/dbraw/zinc/03/99/48/1099039948.db2.gz ZSZSITHNGQMGDV-CQSZACIVSA-N 1 0 321.223 3.352 20 10 DGCDRO CC(C)[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CC[NH2+]1 ZINC001235471034 1099054775 /nfs/dbraw/zinc/05/47/75/1099054775.db2.gz MYLJXCCUNHBLNL-IBGZPJMESA-N 1 0 311.473 3.336 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@](O)(CF)CC2)c(O)c1 ZINC001235674984 1099117806 /nfs/dbraw/zinc/11/78/06/1099117806.db2.gz KUDKLSSCKWBEDP-GOSISDBHSA-N 1 0 309.425 3.376 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235676961 1099120445 /nfs/dbraw/zinc/12/04/45/1099120445.db2.gz YSBJCRNKYVLCHS-CQSZACIVSA-N 1 0 305.418 3.075 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235678681 1099122728 /nfs/dbraw/zinc/12/27/28/1099122728.db2.gz KTJJSXGMOBAGEF-CQSZACIVSA-N 1 0 319.445 3.465 20 10 DGCDRO C[NH2+]CC1CC[NH+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001235679645 1099122920 /nfs/dbraw/zinc/12/29/20/1099122920.db2.gz MFXMEFJRZXWICA-UHFFFAOYSA-N 1 0 303.233 3.130 20 10 DGCDRO COC(=O)CC1CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235681792 1099123957 /nfs/dbraw/zinc/12/39/57/1099123957.db2.gz KXBVOVGOPOBUDJ-UHFFFAOYSA-N 1 0 319.445 3.465 20 10 DGCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235680247 1099124322 /nfs/dbraw/zinc/12/43/22/1099124322.db2.gz UAIQITYJVJISRL-AWEZNQCLSA-N 1 0 305.418 3.075 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(O)c1 ZINC001235683842 1099126005 /nfs/dbraw/zinc/12/60/05/1099126005.db2.gz VUFZASIXIBZAAI-HIFRSBDPSA-N 1 0 311.372 3.156 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(O)c1 ZINC001235682490 1099126275 /nfs/dbraw/zinc/12/62/75/1099126275.db2.gz XMNIEGOBWZXDGA-BBRMVZONSA-N 1 0 301.430 3.491 20 10 DGCDRO CCC(=O)NC1CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235685564 1099127176 /nfs/dbraw/zinc/12/71/76/1099127176.db2.gz QMIMWGGLDNNIJL-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO Cc1cc(C)c(CN2CC[NH2+]C[C@@H]2c2ccccc2F)c(O)c1 ZINC001235752815 1099165174 /nfs/dbraw/zinc/16/51/74/1099165174.db2.gz LURNPHPYZIPKQL-GOSISDBHSA-N 1 0 314.404 3.295 20 10 DGCDRO Cc1cc(C)c(CN2CC[NH2+]C[C@H]2c2ccccc2F)c(O)c1 ZINC001235752817 1099165635 /nfs/dbraw/zinc/16/56/35/1099165635.db2.gz LURNPHPYZIPKQL-SFHVURJKSA-N 1 0 314.404 3.295 20 10 DGCDRO CC(C)C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2O)CC[NH2+]1 ZINC001235881146 1099231542 /nfs/dbraw/zinc/23/15/42/1099231542.db2.gz BAJCZTFOQPTVQB-AWEZNQCLSA-N 1 0 316.367 3.231 20 10 DGCDRO CC(C)C[C@H]1CN(Cc2ccc(N(C)C)cc2Cl)CC[NH2+]1 ZINC001235881885 1099232435 /nfs/dbraw/zinc/23/24/35/1099232435.db2.gz UUEMGLUNACSTPW-HNNXBMFYSA-N 1 0 309.885 3.226 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@H]([NH3+])C(F)(F)C2)cc1 ZINC001235912086 1099255275 /nfs/dbraw/zinc/25/52/75/1099255275.db2.gz PYCPMKISELFJQY-KRWDZBQOSA-N 1 0 319.399 3.262 20 10 DGCDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001179909946 1099256667 /nfs/dbraw/zinc/25/66/67/1099256667.db2.gz XTYPCRFWQCZEBD-MRXNPFEDSA-N 1 0 320.433 3.226 20 10 DGCDRO CC(C)N(CC[NH3+])Cc1cc(OCc2ccccc2)ccc1O ZINC001235948472 1099281713 /nfs/dbraw/zinc/28/17/13/1099281713.db2.gz XVGAJTLKUSXNDP-UHFFFAOYSA-N 1 0 314.429 3.140 20 10 DGCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(C)n1-c1ccccc1 ZINC001235959292 1099291161 /nfs/dbraw/zinc/29/11/61/1099291161.db2.gz MNSDREHKJKGSBC-XEMDLRDOSA-N 1 0 309.457 3.263 20 10 DGCDRO [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236010825 1099333629 /nfs/dbraw/zinc/33/36/29/1099333629.db2.gz YKGUJCPAHPGIPT-UHFFFAOYSA-N 1 0 315.244 3.275 20 10 DGCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c(C)n1-c1ccccc1 ZINC001236061152 1099361307 /nfs/dbraw/zinc/36/13/07/1099361307.db2.gz NTTJOWPLBCHJOR-HKUYNNGSSA-N 1 0 309.457 3.278 20 10 DGCDRO CCCC[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2O)CC[NH2+]1 ZINC001236144623 1099431580 /nfs/dbraw/zinc/43/15/80/1099431580.db2.gz ZYDFIZIPQHZERN-CQSZACIVSA-N 1 0 316.367 3.375 20 10 DGCDRO CCC[C@H]1CN(Cc2cc(Cl)c(Cl)cc2O)CC[NH2+]1 ZINC001236178217 1099449024 /nfs/dbraw/zinc/44/90/24/1099449024.db2.gz IKASVJLMSDHQGK-NSHDSACASA-N 1 0 303.233 3.273 20 10 DGCDRO CN(Cc1cc(C(F)(F)F)ccc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216404 1099472392 /nfs/dbraw/zinc/47/23/92/1099472392.db2.gz KFINROBZZRTBQD-CHWSQXEVSA-N 1 0 302.340 3.113 20 10 DGCDRO CN(Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219701 1099478574 /nfs/dbraw/zinc/47/85/74/1099478574.db2.gz XMXDJTIPSNXEIQ-MOPGFXCFSA-N 1 0 313.489 3.087 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CCC[C@H]([NH2+]C3CC3)C2)c1 ZINC001236222080 1099479645 /nfs/dbraw/zinc/47/96/45/1099479645.db2.gz ISPXQLAFFQXRLK-KRWDZBQOSA-N 1 0 302.462 3.406 20 10 DGCDRO CC(C)(C)c1cccc(CN(C2CC2)[C@@H]2CCC[NH2+]C2)c1O ZINC001236239746 1099493528 /nfs/dbraw/zinc/49/35/28/1099493528.db2.gz LNMGTTYFOHVSDB-MRXNPFEDSA-N 1 0 302.462 3.406 20 10 DGCDRO CCCN(Cc1cc(Cl)c(Cl)cc1O)[C@H]1CC[NH2+]C1 ZINC001236324011 1099537279 /nfs/dbraw/zinc/53/72/79/1099537279.db2.gz MUTXTTCWVNABNS-NSHDSACASA-N 1 0 303.233 3.273 20 10 DGCDRO CCCN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CC[NH2+]C1 ZINC001236331081 1099542262 /nfs/dbraw/zinc/54/22/62/1099542262.db2.gz WHHMLAJMKBXKEE-HNNXBMFYSA-N 1 0 316.445 3.150 20 10 DGCDRO [O-]c1cccc(F)c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375155 1099561659 /nfs/dbraw/zinc/56/16/59/1099561659.db2.gz XFBFDYXDXVYBSV-CQSZACIVSA-N 1 0 306.425 3.276 20 10 DGCDRO Nc1ccc(CN(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236395554 1099572644 /nfs/dbraw/zinc/57/26/44/1099572644.db2.gz KPRNRSOKEOLFJA-IBGZPJMESA-N 1 0 313.420 3.162 20 10 DGCDRO CC[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236410812 1099585285 /nfs/dbraw/zinc/58/52/85/1099585285.db2.gz KQXCVDILAKTPGK-JTQLQIEISA-N 1 0 303.233 3.130 20 10 DGCDRO CC(C)(C)C[N@H+](Cc1c([O-])ccc(F)c1F)C1CC[NH2+]CC1 ZINC001236459448 1099622965 /nfs/dbraw/zinc/62/29/65/1099622965.db2.gz OVEOJDGGEGHRJY-UHFFFAOYSA-N 1 0 312.404 3.271 20 10 DGCDRO CC(C)N(Cc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]C1 ZINC001236468547 1099628581 /nfs/dbraw/zinc/62/85/81/1099628581.db2.gz HYXSGSVEVKJMID-GOSISDBHSA-N 1 0 301.478 3.031 20 10 DGCDRO CC(C)N(Cc1cc(Cl)c(Cl)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236529046 1099662961 /nfs/dbraw/zinc/66/29/61/1099662961.db2.gz MJKLUAHPYJHYQM-LLVKDONJSA-N 1 0 303.233 3.271 20 10 DGCDRO C[C@@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@@H](C)[NH2+]1 ZINC001236580071 1099687968 /nfs/dbraw/zinc/68/79/68/1099687968.db2.gz QCSIIUKWLUFQOO-ZIAGYGMSSA-N 1 0 314.404 3.381 20 10 DGCDRO Cc1cc(Br)c(O)c(CN2C[C@@H](F)C[C@H]2C)c1 ZINC001236662407 1099731014 /nfs/dbraw/zinc/73/10/14/1099731014.db2.gz DQFUMPRMAXQHKI-KOLCDFICSA-N 1 0 302.187 3.395 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2C)c(O)cc1Br ZINC001236744884 1099770520 /nfs/dbraw/zinc/77/05/20/1099770520.db2.gz HWYNHNZBSZBSQN-SECBINFHSA-N 1 0 300.196 3.148 20 10 DGCDRO CCc1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)c(O)c1 ZINC001236786554 1099783751 /nfs/dbraw/zinc/78/37/51/1099783751.db2.gz CTGVHEDDFVGUFT-KRWDZBQOSA-N 1 0 312.413 3.311 20 10 DGCDRO CCc1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)c(O)c1 ZINC001236790988 1099787582 /nfs/dbraw/zinc/78/75/82/1099787582.db2.gz YXVLVCCCYLTLIW-UHFFFAOYSA-N 1 0 312.413 3.393 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(CC)cc2O)C1 ZINC001236793493 1099787668 /nfs/dbraw/zinc/78/76/68/1099787668.db2.gz WXFWRJRIWHWPSP-MRXNPFEDSA-N 1 0 305.418 3.120 20 10 DGCDRO [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC001236794129 1099788437 /nfs/dbraw/zinc/78/84/37/1099788437.db2.gz PYZJTXJDKCJSOM-JTQLQIEISA-N 1 0 304.217 3.293 20 10 DGCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(Cl)c(Cl)cc3O)[C@H]2C1 ZINC001236796544 1099790073 /nfs/dbraw/zinc/79/00/73/1099790073.db2.gz QCKOLHDWHOTVEL-YGRLFVJLSA-N 1 0 315.244 3.225 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001236797600 1099790796 /nfs/dbraw/zinc/79/07/96/1099790796.db2.gz HXOAOOPMRTVKQX-MEDUHNTESA-N 1 0 311.809 3.055 20 10 DGCDRO CC[NH+]1C[C@@H]2CN(Cc3cc(Cl)c(Cl)cc3O)C[C@H]2C1 ZINC001236803820 1099797985 /nfs/dbraw/zinc/79/79/85/1099797985.db2.gz PHFABAOFQWLEMA-VXGBXAGGSA-N 1 0 315.244 3.083 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC001236814793 1099801639 /nfs/dbraw/zinc/80/16/39/1099801639.db2.gz WDKKFKKUFGOGJL-IBGZPJMESA-N 1 0 313.397 3.283 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(O)c1 ZINC001236820288 1099805686 /nfs/dbraw/zinc/80/56/86/1099805686.db2.gz KJPILXXJVMYIAI-UHFFFAOYSA-N 1 0 318.461 3.017 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)[C@H]1C ZINC001236830592 1099813588 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20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CC[C@@H]3[NH3+])n2)cc1 ZINC001248327907 1105098011 /nfs/dbraw/zinc/09/80/11/1105098011.db2.gz KXQWVYJDPUARLE-HOTGVXAUSA-N 1 0 308.385 3.349 20 10 DGCDRO C[N@H+](Cc1cc(Cl)cn2ccnc12)Cc1ccccc1O ZINC001248452106 1105114921 /nfs/dbraw/zinc/11/49/21/1105114921.db2.gz XVOTVYNPQMYWST-UHFFFAOYSA-N 1 0 301.777 3.325 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]3(C)CC[NH2+]3)n2)cc1 ZINC001248726105 1105152676 /nfs/dbraw/zinc/15/26/76/1105152676.db2.gz ZHJBZFDRKDFTIT-GOSISDBHSA-N 1 0 308.385 3.353 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@]1(C)O ZINC001249223219 1105249628 /nfs/dbraw/zinc/24/96/28/1105249628.db2.gz BMIQAUBUIRHMSL-YJYMSZOUSA-N 1 0 317.429 3.169 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCC1=O ZINC001249223162 1105250182 /nfs/dbraw/zinc/25/01/82/1105250182.db2.gz AJBWFIROQHLVAU-ZDUSSCGKSA-N 1 0 315.413 3.377 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@@]4(CCOC4)C3)ccc2O1 ZINC001249230618 1105251242 /nfs/dbraw/zinc/25/12/42/1105251242.db2.gz NASQGMUHLAOJDT-LJQANCHMSA-N 1 0 315.413 3.189 20 10 DGCDRO Cc1cc(C)cc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)c1 ZINC001249339477 1105271617 /nfs/dbraw/zinc/27/16/17/1105271617.db2.gz LAWHPVCXCHGCJO-OAHLLOKOSA-N 1 0 309.369 3.302 20 10 DGCDRO CCCC[C@H](CC)COC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC001253010741 1105876324 /nfs/dbraw/zinc/87/63/24/1105876324.db2.gz WIPLQZIMOKSQEX-WMZOPIPTSA-N 1 0 323.477 3.418 20 10 DGCDRO c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)n[nH]1 ZINC001253989331 1106007178 /nfs/dbraw/zinc/00/71/78/1106007178.db2.gz HSKHNYVIIJUJMP-QGZVFWFLSA-N 1 0 310.445 3.390 20 10 DGCDRO O=C1C[C@H]2CC([NH2+]Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001254929754 1106156339 /nfs/dbraw/zinc/15/63/39/1106156339.db2.gz XQBZBWZMVJRPAC-NXEZZACHSA-N 1 0 324.218 3.002 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CCCN(C3CCCC3)C2)cc2c1OCC2 ZINC001256899277 1106504719 /nfs/dbraw/zinc/50/47/19/1106504719.db2.gz DQZSVASZLXPSET-QGZVFWFLSA-N 1 0 300.446 3.118 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001257106938 1106540751 /nfs/dbraw/zinc/54/07/51/1106540751.db2.gz VDLGIUKOBQUQNK-ALXJQNPVSA-N 1 0 318.461 3.163 20 10 DGCDRO CCCCOC(=O)CC[C@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001257403303 1106583214 /nfs/dbraw/zinc/58/32/14/1106583214.db2.gz RYZXXMOUCYAAIU-AWEZNQCLSA-N 1 0 305.418 3.262 20 10 DGCDRO Oc1cccc2c1C[N@@H+]([C@H]1COc3ccc(Cl)cc3C1)CC2 ZINC001257967127 1106652834 /nfs/dbraw/zinc/65/28/34/1106652834.db2.gz RAUWDYYRTLBMBA-OAHLLOKOSA-N 1 0 315.800 3.407 20 10 DGCDRO C[C@H](Cc1ccco1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001258193195 1106693602 /nfs/dbraw/zinc/69/36/02/1106693602.db2.gz VOWNPRAAOGENRU-MRXNPFEDSA-N 1 0 314.429 3.179 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c(O)c1 ZINC001474744223 1106774998 /nfs/dbraw/zinc/77/49/98/1106774998.db2.gz DEXGQORUYPXGBH-ZDUSSCGKSA-N 1 0 318.442 3.230 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001320253022 1106939013 /nfs/dbraw/zinc/93/90/13/1106939013.db2.gz OFDQYAKVDGEKEG-CABCVRRESA-N 1 0 318.461 3.487 20 10 DGCDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001320508702 1107034874 /nfs/dbraw/zinc/03/48/74/1107034874.db2.gz GTXFITOUKWEXJO-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(Br)o1 ZINC001320574569 1107058214 /nfs/dbraw/zinc/05/82/14/1107058214.db2.gz VIABGARFALJONU-UHFFFAOYSA-N 1 0 312.163 3.046 20 10 DGCDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321185254 1107277225 /nfs/dbraw/zinc/27/72/25/1107277225.db2.gz PZWRHAFKVUSIHC-RDJZCZTQSA-N 1 0 319.468 3.103 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccccc2N2CCCC2)c(O)c1 ZINC001321202174 1107284077 /nfs/dbraw/zinc/28/40/77/1107284077.db2.gz IKQFVPFCYZIJQC-UHFFFAOYSA-N 1 0 312.413 3.291 20 10 DGCDRO Oc1ccccc1C[NH2+]Cc1cccc(OCC(F)(F)F)n1 ZINC001321346240 1107328956 /nfs/dbraw/zinc/32/89/56/1107328956.db2.gz UFFJPNQXENJELI-UHFFFAOYSA-N 1 0 312.291 3.018 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ncnn1C(C)(C)C ZINC001321374420 1107334364 /nfs/dbraw/zinc/33/43/64/1107334364.db2.gz ZWUINKOVNVTKRH-STQMWFEESA-N 1 0 314.433 3.385 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)C(C)C)cc1C ZINC001321859163 1107451511 /nfs/dbraw/zinc/45/15/11/1107451511.db2.gz CDGMINDJKLIMNC-HNNXBMFYSA-N 1 0 320.477 3.280 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC001321942998 1107468784 /nfs/dbraw/zinc/46/87/84/1107468784.db2.gz DQUVYWOWOJYUJA-RTBURBONSA-N 1 0 300.446 3.430 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC2(C)C)cc1C ZINC001321955975 1107471846 /nfs/dbraw/zinc/47/18/46/1107471846.db2.gz KQMLLULFZBJKNJ-HOCLYGCPSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC2(C)C)cc1C ZINC001321955974 1107471979 /nfs/dbraw/zinc/47/19/79/1107471979.db2.gz KQMLLULFZBJKNJ-GOEBONIOSA-N 1 0 318.461 3.034 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001261790749 1107530798 /nfs/dbraw/zinc/53/07/98/1107530798.db2.gz UEPALRBXGMRBHA-QEJZJMRPSA-N 1 0 315.413 3.490 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC001262031197 1107584621 /nfs/dbraw/zinc/58/46/21/1107584621.db2.gz KBYYXSBERFKECC-SFHVURJKSA-N 1 0 300.446 3.478 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC3(CCCCO3)CC2)c1O ZINC001262054213 1107595765 /nfs/dbraw/zinc/59/57/65/1107595765.db2.gz YZCVMLPMFTZDDC-UHFFFAOYSA-N 1 0 305.418 3.244 20 10 DGCDRO Cc1noc2ncc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)cc12 ZINC001262188423 1107643242 /nfs/dbraw/zinc/64/32/42/1107643242.db2.gz QHURPQMMIVIMDR-GFCCVEGCSA-N 1 0 310.401 3.448 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1ccc(C)cc1O ZINC001322454775 1107677548 /nfs/dbraw/zinc/67/75/48/1107677548.db2.gz FKJGBCQFCXLRLC-FUHWJXTLSA-N 1 0 321.461 3.167 20 10 DGCDRO COCCC1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCCC1 ZINC001262362934 1107694644 /nfs/dbraw/zinc/69/46/44/1107694644.db2.gz GGZPBYVZCOZOAI-UHFFFAOYSA-N 1 0 323.433 3.096 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2c(F)cccc2OC)c1 ZINC001262377467 1107706622 /nfs/dbraw/zinc/70/66/22/1107706622.db2.gz VXQUWNDFVWPVTC-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cnn(CCF)c1 ZINC001262484989 1107716903 /nfs/dbraw/zinc/71/69/03/1107716903.db2.gz PFROJXDSYHKADT-GXTWGEPZSA-N 1 0 303.381 3.205 20 10 DGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001263111218 1107948882 /nfs/dbraw/zinc/94/88/82/1107948882.db2.gz WOBFASIDRKPXBD-BMGDILEWSA-N 1 0 324.424 3.077 20 10 DGCDRO CC[C@@H](C)C(=O)NC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318503123 1108063082 /nfs/dbraw/zinc/06/30/82/1108063082.db2.gz OHJNFAIXIUSEJY-CJNGLKHVSA-N 1 0 306.450 3.034 20 10 DGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001323875985 1108111039 /nfs/dbraw/zinc/11/10/39/1108111039.db2.gz DKNWHUZCPQABSS-ORIJERBGSA-N 1 0 305.418 3.033 20 10 DGCDRO OC[C@@H]([C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1)C1CC1 ZINC001324376642 1108269897 /nfs/dbraw/zinc/26/98/97/1108269897.db2.gz CHJRCSAMOOVLPC-WOJBJXKFSA-N 1 0 314.473 3.174 20 10 DGCDRO CCCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319425135 1108459071 /nfs/dbraw/zinc/45/90/71/1108459071.db2.gz SJGXJMZTDOYPIJ-HNNXBMFYSA-N 1 0 306.450 3.130 20 10 DGCDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319932694 1108700118 /nfs/dbraw/zinc/70/01/18/1108700118.db2.gz RFQRYVODKDZNOY-OAHLLOKOSA-N 1 0 307.457 3.054 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CC2(C)C)cc1C ZINC001266138057 1109105148 /nfs/dbraw/zinc/10/51/48/1109105148.db2.gz WJCTYPVFNMOLTP-GOEBONIOSA-N 1 0 318.461 3.034 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)ccc1N(C)C ZINC001307861344 1111347295 /nfs/dbraw/zinc/34/72/95/1111347295.db2.gz VHWQRRYTFGXYAO-HXUWFJFHSA-N 1 0 312.457 3.401 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCN(C)c2ccccc2)cc1F ZINC001308195202 1111395567 /nfs/dbraw/zinc/39/55/67/1111395567.db2.gz SGWOCKORJYPWSW-UHFFFAOYSA-N 1 0 301.409 3.118 20 10 DGCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1F ZINC001308230670 1111401681 /nfs/dbraw/zinc/40/16/81/1111401681.db2.gz CKVQISNGWUFGLL-UHFFFAOYSA-N 1 0 306.356 3.329 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(F)c1 ZINC001308231646 1111402495 /nfs/dbraw/zinc/40/24/95/1111402495.db2.gz LQWQHEMUAUIFJU-LJQANCHMSA-N 1 0 314.404 3.249 20 10 DGCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308373806 1111422990 /nfs/dbraw/zinc/42/29/90/1111422990.db2.gz KNJOEJBBHQDEIM-IBGZPJMESA-N 1 0 311.425 3.013 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1C ZINC001308442487 1111429330 /nfs/dbraw/zinc/42/93/30/1111429330.db2.gz YTDMMINMWCJILZ-HNNXBMFYSA-N 1 0 312.404 3.213 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCC(C)(C)C2)cc1 ZINC001308548397 1111441754 /nfs/dbraw/zinc/44/17/54/1111441754.db2.gz RAQNDHWQRBUNBH-UHFFFAOYSA-N 1 0 303.494 3.354 20 10 DGCDRO C[N@H+](Cc1ccccc1O)Cc1cc2ccc(F)cc2[nH]c1=O ZINC001308624379 1111451941 /nfs/dbraw/zinc/45/19/41/1111451941.db2.gz MAXCNFZFYQCHBY-UHFFFAOYSA-N 1 0 312.344 3.417 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c(O)c1 ZINC001308638759 1111454482 /nfs/dbraw/zinc/45/44/82/1111454482.db2.gz IWPDTQFPVDNCKA-GOEBONIOSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c(O)c1 ZINC001308638758 1111454505 /nfs/dbraw/zinc/45/45/05/1111454505.db2.gz IWPDTQFPVDNCKA-GDBMZVCRSA-N 1 0 307.434 3.393 20 10 DGCDRO CCc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1O ZINC001308660703 1111457432 /nfs/dbraw/zinc/45/74/32/1111457432.db2.gz UBCGPPZOOMJZOD-UHFFFAOYSA-N 1 0 302.462 3.405 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCCC3(CCOCC3)C2)c(O)c1 ZINC001308730749 1111466701 /nfs/dbraw/zinc/46/67/01/1111466701.db2.gz INCHUKUCEARYPH-UHFFFAOYSA-N 1 0 305.418 3.102 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1O ZINC001308733777 1111467637 /nfs/dbraw/zinc/46/76/37/1111467637.db2.gz RWOUGEUNCJRTRM-SFHVURJKSA-N 1 0 307.434 3.082 20 10 DGCDRO COC(=O)c1c(C[NH2+][C@H]2CCC2(C)C)c2cc(F)ccc2n1C ZINC001308749962 1111469747 /nfs/dbraw/zinc/46/97/47/1111469747.db2.gz XKOPPCRZNDWDLD-HNNXBMFYSA-N 1 0 318.392 3.382 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001308811089 1111478607 /nfs/dbraw/zinc/47/86/07/1111478607.db2.gz UMLJFVYUYUKTKO-UHFFFAOYSA-N 1 0 305.740 3.122 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]CCc3ccc(F)cc3)C2)cc1 ZINC001308860611 1111485603 /nfs/dbraw/zinc/48/56/03/1111485603.db2.gz SGWFXFUKTCKNPO-QGZVFWFLSA-N 1 0 314.404 3.245 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2c(F)cccc2OC)c(O)c1 ZINC001308960483 1111500751 /nfs/dbraw/zinc/50/07/51/1111500751.db2.gz YJODDIXYTLNDKD-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO CC[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000090083103 185281324 /nfs/dbraw/zinc/28/13/24/185281324.db2.gz DOHNMJRJHORJPK-IBGZPJMESA-N 1 0 320.477 3.379 20 10 DGCDRO CCC[N@H+](Cc1ccc(C(=O)NC)cc1)Cc1ccccc1O ZINC000066873577 432024023 /nfs/dbraw/zinc/02/40/23/432024023.db2.gz RQYHPGVZHSAJOI-UHFFFAOYSA-N 1 0 312.413 3.164 20 10 DGCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179794385 432071293 /nfs/dbraw/zinc/07/12/93/432071293.db2.gz VDSHTLXSTDFNCT-UHFFFAOYSA-N 1 0 318.461 3.171 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@H]1SC ZINC000459506328 535409570 /nfs/dbraw/zinc/40/95/70/535409570.db2.gz PQSHFBGKJMHIOC-ZTFGCOKTSA-N 1 0 318.486 3.485 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000179977855 432075689 /nfs/dbraw/zinc/07/56/89/432075689.db2.gz LSRUYTCUXPWSMZ-INIZCTEOSA-N 1 0 305.349 3.306 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246123119 432096995 /nfs/dbraw/zinc/09/69/95/432096995.db2.gz KLOPYCHTQYNVQC-MSOLQXFVSA-N 1 0 320.502 3.239 20 10 DGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000473275522 244329269 /nfs/dbraw/zinc/32/92/69/244329269.db2.gz WRVKHZADHWMOFY-CQSZACIVSA-N 1 0 315.461 3.270 20 10 DGCDRO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc3c(cc2O)OCO3)s1 ZINC000093275637 193223863 /nfs/dbraw/zinc/22/38/63/193223863.db2.gz YZGVMUGMCCKORE-JTQLQIEISA-N 1 0 320.414 3.387 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000019963690 182170918 /nfs/dbraw/zinc/17/09/18/182170918.db2.gz VOHFTGKOOKSNFN-DGCLKSJQSA-N 1 0 314.223 3.374 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000268841401 432144673 /nfs/dbraw/zinc/14/46/73/432144673.db2.gz MWGPTFXGENPPLH-RWBZWWBESA-N 1 0 317.477 3.241 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000268867087 432147064 /nfs/dbraw/zinc/14/70/64/432147064.db2.gz UFVJCYNWVJJHEF-IBGZPJMESA-N 1 0 302.462 3.174 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000268974879 432149315 /nfs/dbraw/zinc/14/93/15/432149315.db2.gz NISCIBOVVUIAFP-MAUKXSAKSA-N 1 0 320.502 3.196 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(Br)ccc1O ZINC000041158858 183179475 /nfs/dbraw/zinc/17/94/75/183179475.db2.gz AOHFEXPHHNLQIL-CYBMUJFWSA-N 1 0 324.222 3.129 20 10 DGCDRO COCCCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000122784571 533234392 /nfs/dbraw/zinc/23/43/92/533234392.db2.gz POMXZDPWMPRWBD-OAHLLOKOSA-N 1 0 324.440 3.130 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)CC2 ZINC000296001731 285396747 /nfs/dbraw/zinc/39/67/47/285396747.db2.gz OJPRXVDMDHFNQU-SFHVURJKSA-N 1 0 319.408 3.414 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1COC3(CCCCC3)O1)CC2 ZINC000296979557 285396965 /nfs/dbraw/zinc/39/69/65/285396965.db2.gz RVVGHKSPBQBZEK-CABCVRRESA-N 1 0 303.402 3.045 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(F)ccc1O ZINC000176985526 533420855 /nfs/dbraw/zinc/42/08/55/533420855.db2.gz UKYKRGHVAJBDEW-MNOVXSKESA-N 1 0 320.330 3.066 20 10 DGCDRO CCOCc1cc(C[NH2+]CC(C)(C)CCCO)ccc1OC ZINC000271434285 129912566 /nfs/dbraw/zinc/91/25/66/129912566.db2.gz BPLLVARQBXWMOA-UHFFFAOYSA-N 1 0 309.450 3.120 20 10 DGCDRO COC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000272928630 130074589 /nfs/dbraw/zinc/07/45/89/130074589.db2.gz ZEVMBWJGEZPUEE-CYBMUJFWSA-N 1 0 314.385 3.464 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000273028953 130084350 /nfs/dbraw/zinc/08/43/50/130084350.db2.gz FWWPWYXNPXKFOC-HUUCEWRRSA-N 1 0 307.434 3.476 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000273303160 130104627 /nfs/dbraw/zinc/10/46/27/130104627.db2.gz CDEVBTOEYPWJOP-HNNXBMFYSA-N 1 0 322.412 3.191 20 10 DGCDRO COCC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccco1 ZINC000273327217 130108400 /nfs/dbraw/zinc/10/84/00/130108400.db2.gz YIBXQRDAHFLWDX-HNNXBMFYSA-N 1 0 321.348 3.194 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c(O)c1C ZINC000273355764 130111552 /nfs/dbraw/zinc/11/15/52/130111552.db2.gz CNMDATWAIXVIRY-YOEHRIQHSA-N 1 0 317.404 3.402 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)c(O)c1C ZINC000273419044 130118832 /nfs/dbraw/zinc/11/88/32/130118832.db2.gz RQIWRMZOEBWWLV-CQSZACIVSA-N 1 0 305.418 3.345 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)c(O)c1C ZINC000273435021 130120943 /nfs/dbraw/zinc/12/09/43/130120943.db2.gz WRZAFYOPUBMZLU-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO COCCOCCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273425848 130121201 /nfs/dbraw/zinc/12/12/01/130121201.db2.gz UBAOVAICGDBEJQ-AWEZNQCLSA-N 1 0 303.402 3.249 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Br)cc1O ZINC000273429331 130121258 /nfs/dbraw/zinc/12/12/58/130121258.db2.gz VFVOQBJKTAEHBN-JQWIXIFHSA-N 1 0 314.223 3.374 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000273490337 130127963 /nfs/dbraw/zinc/12/79/63/130127963.db2.gz OBSNIAGUIQUWLM-PZROIBLQSA-N 1 0 319.376 3.313 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c(O)c1C ZINC000273488131 130128118 /nfs/dbraw/zinc/12/81/18/130128118.db2.gz NRBHQSBHDFAASF-HUUCEWRRSA-N 1 0 305.418 3.345 20 10 DGCDRO C[C@H]([NH2+]CCOc1ncccc1F)c1cc(Cl)ccc1O ZINC000273530865 130133181 /nfs/dbraw/zinc/13/31/81/130133181.db2.gz WGYXNUYESWVHLV-JTQLQIEISA-N 1 0 310.756 3.309 20 10 DGCDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273606645 130144125 /nfs/dbraw/zinc/14/41/25/130144125.db2.gz UFXLIVDFNKWJNJ-GWCFXTLKSA-N 1 0 316.239 3.212 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000273742784 130160795 /nfs/dbraw/zinc/16/07/95/130160795.db2.gz LZNNNLBFGIQPKJ-KBPBESRZSA-N 1 0 313.825 3.347 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCSC2)c1O ZINC000280591732 130808153 /nfs/dbraw/zinc/80/81/53/130808153.db2.gz XORMHQOHTSZUJG-SNVBAGLBSA-N 1 0 316.264 3.306 20 10 DGCDRO CCOCc1cc(C[NH2+]C(CC)(CC)CCO)ccc1OC ZINC000282878501 130944541 /nfs/dbraw/zinc/94/45/41/130944541.db2.gz CLUPLSXPFAHNSR-UHFFFAOYSA-N 1 0 309.450 3.263 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284162461 131054843 /nfs/dbraw/zinc/05/48/43/131054843.db2.gz PVMDTZDBAOEMAA-KSSFIOAISA-N 1 0 315.413 3.402 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1C ZINC000284213568 131060115 /nfs/dbraw/zinc/06/01/15/131060115.db2.gz ZPHXQECDLGTXHX-UHFFFAOYSA-N 1 0 308.328 3.295 20 10 DGCDRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(Br)cc1O ZINC000286971974 131258352 /nfs/dbraw/zinc/25/83/52/131258352.db2.gz ILXFDUXNMIEPIF-SNVBAGLBSA-N 1 0 312.207 3.152 20 10 DGCDRO C[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1O ZINC000287136577 131265769 /nfs/dbraw/zinc/26/57/69/131265769.db2.gz RYJCBBNPAVCNFL-SUMWQHHRSA-N 1 0 302.393 3.485 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCSC1 ZINC000288385303 131322883 /nfs/dbraw/zinc/32/28/83/131322883.db2.gz GJRHOTVGIZRHIK-SNVBAGLBSA-N 1 0 316.264 3.388 20 10 DGCDRO COCCOCc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000288952558 131347328 /nfs/dbraw/zinc/34/73/28/131347328.db2.gz AENXJNJSZJCSDM-UHFFFAOYSA-N 1 0 315.413 3.187 20 10 DGCDRO COc1cccc(C[NH2+][C@H]2CCc3c(cccc3OC)C2)c1O ZINC000289538060 131394805 /nfs/dbraw/zinc/39/48/05/131394805.db2.gz WOCGCCSVPKUAJV-HNNXBMFYSA-N 1 0 313.397 3.057 20 10 DGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297651723 132026893 /nfs/dbraw/zinc/02/68/93/132026893.db2.gz KEVDJAXVUBHCTC-KRWDZBQOSA-N 1 0 324.424 3.018 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC000120566236 132148874 /nfs/dbraw/zinc/14/88/74/132148874.db2.gz GVEBIOXJEZMEKD-AWEZNQCLSA-N 1 0 308.429 3.490 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)NCCC[NH+](CC)CC ZINC000066688111 400107877 /nfs/dbraw/zinc/10/78/77/400107877.db2.gz STMGVWJBGILNLP-UHFFFAOYSA-N 1 0 321.465 3.046 20 10 DGCDRO CCOc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccc1O ZINC000072727500 400400727 /nfs/dbraw/zinc/40/07/27/400400727.db2.gz BQWMYKXCYNLHJB-UHFFFAOYSA-N 1 0 300.402 3.147 20 10 DGCDRO CC[C@@H](COC)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185503780 286851658 /nfs/dbraw/zinc/85/16/58/286851658.db2.gz NQUAIERDFWLYAS-KOLCDFICSA-N 1 0 302.212 3.230 20 10 DGCDRO Cc1[nH]nc2ncc(C[NH2+]Cc3c(C)c4ccccc4n3C)cc12 ZINC000355120386 533678296 /nfs/dbraw/zinc/67/82/96/533678296.db2.gz JSBMAKMSOQGTPQ-UHFFFAOYSA-N 1 0 319.412 3.356 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1O ZINC000136681850 432160236 /nfs/dbraw/zinc/16/02/36/432160236.db2.gz PYXJZJOJPGAGBU-HNNXBMFYSA-N 1 0 305.418 3.372 20 10 DGCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)o1 ZINC000137064452 432170696 /nfs/dbraw/zinc/17/06/96/432170696.db2.gz YOGBZYMNVUJMJD-HNNXBMFYSA-N 1 0 317.385 3.477 20 10 DGCDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168840797 228267026 /nfs/dbraw/zinc/26/70/26/228267026.db2.gz XNEPSSSMAKZCFV-RRMDADRESA-N 1 0 305.443 3.353 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000179725301 228353168 /nfs/dbraw/zinc/35/31/68/228353168.db2.gz QQCITZFKLWSMAT-UHFFFAOYSA-N 1 0 324.424 3.049 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccccc1O ZINC000183613142 228375727 /nfs/dbraw/zinc/37/57/27/228375727.db2.gz YAPIDBDMKVXHEM-JKIFEVAISA-N 1 0 310.397 3.237 20 10 DGCDRO COC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)C1CCOCC1 ZINC000358999746 229368885 /nfs/dbraw/zinc/36/88/85/229368885.db2.gz YHKGSSXDLVMAMU-QGZVFWFLSA-N 1 0 316.445 3.018 20 10 DGCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000270207557 432230563 /nfs/dbraw/zinc/23/05/63/432230563.db2.gz KXJBTYUYLCJCSX-CYBMUJFWSA-N 1 0 319.426 3.037 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1C ZINC000151397717 432244393 /nfs/dbraw/zinc/24/43/93/432244393.db2.gz HJFMBJUXUZZOBA-NVXWUHKLSA-N 1 0 307.459 3.153 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1O ZINC000283374798 276585252 /nfs/dbraw/zinc/58/52/52/276585252.db2.gz OHCUTICLQFDTSP-ZVZYQTTQSA-N 1 0 319.445 3.001 20 10 DGCDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000193918228 278251509 /nfs/dbraw/zinc/25/15/09/278251509.db2.gz QTZYUANMHPZPBF-KBPBESRZSA-N 1 0 312.413 3.207 20 10 DGCDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 ZINC000161742701 278253813 /nfs/dbraw/zinc/25/38/13/278253813.db2.gz OLLUOMAVNIXZJI-AWEZNQCLSA-N 1 0 304.434 3.089 20 10 DGCDRO CC[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(N(C)C)cc1 ZINC000281104318 288038077 /nfs/dbraw/zinc/03/80/77/288038077.db2.gz QYVQAEZPFCJUNM-HRAATJIYSA-N 1 0 308.491 3.095 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000112536847 431281769 /nfs/dbraw/zinc/28/17/69/431281769.db2.gz XCHZQODFEIIBPO-HOTGVXAUSA-N 1 0 311.429 3.330 20 10 DGCDRO Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000013994570 431573594 /nfs/dbraw/zinc/57/35/94/431573594.db2.gz ONEHGIFBQJLYQJ-INIZCTEOSA-N 1 0 301.386 3.475 20 10 DGCDRO C[N@H+](CCc1ccccn1)Cc1cc(Br)ccc1O ZINC000120821763 431735084 /nfs/dbraw/zinc/73/50/84/431735084.db2.gz OZVOUUDJKWKVTN-UHFFFAOYSA-N 1 0 321.218 3.224 20 10 DGCDRO CCCOc1ccc(C[N@H+](C)CCc2ccccn2)c(O)c1 ZINC000120822217 431735398 /nfs/dbraw/zinc/73/53/98/431735398.db2.gz FDDVFOLMZOJSAN-UHFFFAOYSA-N 1 0 300.402 3.251 20 10 DGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1O ZINC000120033430 431721765 /nfs/dbraw/zinc/72/17/65/431721765.db2.gz VLAGOXXDAXYJRL-UHFFFAOYSA-N 1 0 315.369 3.152 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](C)N(C)C)c1cc(Br)ccc1O ZINC000038088595 431855079 /nfs/dbraw/zinc/85/50/79/431855079.db2.gz PITVOJDKQATGSC-GWCFXTLKSA-N 1 0 315.255 3.146 20 10 DGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC000122435632 431832052 /nfs/dbraw/zinc/83/20/52/431832052.db2.gz VJHGBKBINJVUHG-LLVKDONJSA-N 1 0 302.397 3.149 20 10 DGCDRO CCOCC[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000036229077 431837206 /nfs/dbraw/zinc/83/72/06/431837206.db2.gz BOSAKSPCCWQRAM-GFCCVEGCSA-N 1 0 302.212 3.232 20 10 DGCDRO CCOc1cccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1O ZINC000093442518 431916541 /nfs/dbraw/zinc/91/65/41/431916541.db2.gz HCWSARMTORMMDV-KRWDZBQOSA-N 1 0 315.413 3.346 20 10 DGCDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(Cl)ccc1O ZINC000093863972 431918701 /nfs/dbraw/zinc/91/87/01/431918701.db2.gz GZTPESCRXRKYMU-AWEZNQCLSA-N 1 0 305.809 3.289 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2cccc(N(C)C)c2)c1O ZINC000093863573 431918977 /nfs/dbraw/zinc/91/89/77/431918977.db2.gz HRUOJACWGFDTSB-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000091832651 431905478 /nfs/dbraw/zinc/90/54/78/431905478.db2.gz NOJCAJMHGVPTBP-LLVKDONJSA-N 1 0 307.781 3.117 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)ccc1O ZINC000125962592 431939320 /nfs/dbraw/zinc/93/93/20/431939320.db2.gz SLGLOXWCTUZBKD-UHFFFAOYSA-N 1 0 318.392 3.238 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](C)CCO)c1cc(Br)ccc1O ZINC000097439468 431969978 /nfs/dbraw/zinc/96/99/78/431969978.db2.gz OOKWEVKXIKGQBE-GWCFXTLKSA-N 1 0 316.239 3.214 20 10 DGCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183415764 432292274 /nfs/dbraw/zinc/29/22/74/432292274.db2.gz ORYFOEPBMRIFFL-AWEZNQCLSA-N 1 0 301.386 3.268 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccccc1O ZINC000183434928 432293027 /nfs/dbraw/zinc/29/30/27/432293027.db2.gz XUAJOMBCYFAFTG-OAHLLOKOSA-N 1 0 324.424 3.365 20 10 DGCDRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1O ZINC000183478603 432296019 /nfs/dbraw/zinc/29/60/19/432296019.db2.gz MLRUXJQMZZGDGF-NSHDSACASA-N 1 0 302.340 3.070 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000183513694 432299083 /nfs/dbraw/zinc/29/90/83/432299083.db2.gz HQESWEFCHRXNRH-ZIAGYGMSSA-N 1 0 320.433 3.442 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000270606057 432264212 /nfs/dbraw/zinc/26/42/12/432264212.db2.gz BRSAUIUNORJHCH-PBHICJAKSA-N 1 0 307.434 3.474 20 10 DGCDRO CC(=O)N1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271042078 432320233 /nfs/dbraw/zinc/32/02/33/432320233.db2.gz NSPMDEOBCOYNAQ-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO COc1cc(NCC[NH2+][C@@H](C)c2ccccc2O)cc(OC)c1 ZINC000183626102 432309627 /nfs/dbraw/zinc/30/96/27/432309627.db2.gz VHUUJFCPWWKZAN-ZDUSSCGKSA-N 1 0 316.401 3.172 20 10 DGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183671546 432315217 /nfs/dbraw/zinc/31/52/17/432315217.db2.gz NJWIYYZREKSAIO-CYBMUJFWSA-N 1 0 319.426 3.037 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)cc1 ZINC000271491083 432407033 /nfs/dbraw/zinc/40/70/33/432407033.db2.gz KUBCALNAESEEDC-BXUZGUMPSA-N 1 0 304.356 3.107 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)c1O ZINC000271922359 432428643 /nfs/dbraw/zinc/42/86/43/432428643.db2.gz CGDVXMNWKOMSON-KZULUSFZSA-N 1 0 319.376 3.406 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccccc1O ZINC000192916114 432428882 /nfs/dbraw/zinc/42/88/82/432428882.db2.gz TUFZVDSMJOJPJR-GDBMZVCRSA-N 1 0 300.402 3.473 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)cc1OC ZINC000271955119 432430869 /nfs/dbraw/zinc/43/08/69/432430869.db2.gz CIOSQJVRUCNABB-CABCVRRESA-N 1 0 323.433 3.093 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c(O)c1 ZINC000184954213 432449600 /nfs/dbraw/zinc/44/96/00/432449600.db2.gz LYASQQKJKZCUMW-HNNXBMFYSA-N 1 0 322.412 3.191 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](CCO)Cc2ccccc2)c1O ZINC000184672179 432419234 /nfs/dbraw/zinc/41/92/34/432419234.db2.gz LWFOOYRJLCOSSD-UHFFFAOYSA-N 1 0 321.804 3.049 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c(O)c1 ZINC000185215247 432477944 /nfs/dbraw/zinc/47/79/44/432477944.db2.gz ORSLEAPZXNLEEM-HNNXBMFYSA-N 1 0 318.461 3.388 20 10 DGCDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185277084 432485951 /nfs/dbraw/zinc/48/59/51/432485951.db2.gz UMAWYLMNXXHWEO-GFCCVEGCSA-N 1 0 313.445 3.472 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1C ZINC000176124299 432494216 /nfs/dbraw/zinc/49/42/16/432494216.db2.gz SNGHTBOUUAZGOO-JOCHJYFZSA-N 1 0 317.454 3.378 20 10 DGCDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185504243 432507061 /nfs/dbraw/zinc/50/70/61/432507061.db2.gz AJPYKYHAMYWIOL-GXSJLCMTSA-N 1 0 302.212 3.230 20 10 DGCDRO Cc1cccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1O ZINC000185581088 432511855 /nfs/dbraw/zinc/51/18/55/432511855.db2.gz XFCNVXFDGLVXGK-OAHLLOKOSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)c1 ZINC000185090993 432466084 /nfs/dbraw/zinc/46/60/84/432466084.db2.gz BURWSRRPSKHHHF-AWEZNQCLSA-N 1 0 304.434 3.190 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1O ZINC000185111329 432466633 /nfs/dbraw/zinc/46/66/33/432466633.db2.gz MKPBSODDQGAVBQ-QGZVFWFLSA-N 1 0 321.804 3.052 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCc3sccc3C2)c(O)c1 ZINC000185105567 432467259 /nfs/dbraw/zinc/46/72/59/432467259.db2.gz ZEDMTVXXLVRQOR-CQSZACIVSA-N 1 0 316.470 3.471 20 10 DGCDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185114341 432467811 /nfs/dbraw/zinc/46/78/11/432467811.db2.gz WRIHNFFBDLEBPR-CMPLNLGQSA-N 1 0 316.239 3.212 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC2(SC)CCC2)c1O ZINC000193364108 432469096 /nfs/dbraw/zinc/46/90/96/432469096.db2.gz SIKYKFWVZNRNPF-UHFFFAOYSA-N 1 0 301.839 3.430 20 10 DGCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000186030049 432554451 /nfs/dbraw/zinc/55/44/51/432554451.db2.gz IKAQBBSDGANPMQ-CHWSQXEVSA-N 1 0 321.442 3.019 20 10 DGCDRO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000185657807 432519765 /nfs/dbraw/zinc/51/97/65/432519765.db2.gz FJASGGPQGYOTMG-BOLFOIPXSA-N 1 0 309.475 3.431 20 10 DGCDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185673477 432521969 /nfs/dbraw/zinc/52/19/69/432521969.db2.gz UJURBEHJQQPTDF-IJEWVQPXSA-N 1 0 315.413 3.390 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1O ZINC000185677565 432524087 /nfs/dbraw/zinc/52/40/87/432524087.db2.gz IWDBPAWAICCXCR-KSSFIOAISA-N 1 0 314.429 3.182 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000186176911 432564607 /nfs/dbraw/zinc/56/46/07/432564607.db2.gz SZFKXPOGRXBALZ-GFCCVEGCSA-N 1 0 317.433 3.110 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nc(C)c(C)s2)c1 ZINC000185797546 432534148 /nfs/dbraw/zinc/53/41/48/432534148.db2.gz RATOBWBQCXXQAO-LLVKDONJSA-N 1 0 306.431 3.367 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c(O)c1 ZINC000185813029 432535063 /nfs/dbraw/zinc/53/50/63/432535063.db2.gz PCDJLYRPXNXEBR-RHSMWYFYSA-N 1 0 310.397 3.157 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000185829035 432536532 /nfs/dbraw/zinc/53/65/32/432536532.db2.gz FPMUVUNVJDYFCD-CXAGYDPISA-N 1 0 307.434 3.383 20 10 DGCDRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185826661 432536919 /nfs/dbraw/zinc/53/69/19/432536919.db2.gz VNABEYRIMMENOO-KSSFIOAISA-N 1 0 315.413 3.484 20 10 DGCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccccc1O ZINC000155256655 432546523 /nfs/dbraw/zinc/54/65/23/432546523.db2.gz NGVVHAJFGRHFGU-MRXNPFEDSA-N 1 0 316.376 3.002 20 10 DGCDRO CCOC(C)(C)C[NH2+]Cc1cc(Br)ccc1O ZINC000186537714 432606348 /nfs/dbraw/zinc/60/63/48/432606348.db2.gz XMJUWZHVZSZNQZ-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000273588295 432614442 /nfs/dbraw/zinc/61/44/42/432614442.db2.gz OKANEGXOUXJABF-IAQYHMDHSA-N 1 0 301.346 3.497 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)cc(OC)c2)c1 ZINC000186216636 432569741 /nfs/dbraw/zinc/56/97/41/432569741.db2.gz XRWIHVDYWNTHSG-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO C[C@@H]([NH2+]CCCCCCO)c1cc(Br)ccc1O ZINC000186230947 432571025 /nfs/dbraw/zinc/57/10/25/432571025.db2.gz CJXZJRJPSDZQSX-LLVKDONJSA-N 1 0 316.239 3.358 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1cc(Br)ccc1O ZINC000186234016 432571415 /nfs/dbraw/zinc/57/14/15/432571415.db2.gz NQDLCSAZGIVAKV-PWSUYJOCSA-N 1 0 314.223 3.374 20 10 DGCDRO C[C@H]([NH2+]CCCCCCO)c1ccc(Br)cc1O ZINC000186231533 432571583 /nfs/dbraw/zinc/57/15/83/432571583.db2.gz IVVCELAVXXLLQV-NSHDSACASA-N 1 0 316.239 3.358 20 10 DGCDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000186354131 432586277 /nfs/dbraw/zinc/58/62/77/432586277.db2.gz GQZNHSFGPPCDMZ-CYBMUJFWSA-N 1 0 314.429 3.358 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000186456439 432597417 /nfs/dbraw/zinc/59/74/17/432597417.db2.gz UQKUQMBIUXFFSH-AUUYWEPGSA-N 1 0 314.429 3.182 20 10 DGCDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186510082 432602997 /nfs/dbraw/zinc/60/29/97/432602997.db2.gz VLFYEHOPFGMVLU-YGEYTSGZSA-N 1 0 314.223 3.132 20 10 DGCDRO CCOCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187020296 432641131 /nfs/dbraw/zinc/64/11/31/432641131.db2.gz GACSCDKJRLZTNF-JTQLQIEISA-N 1 0 302.212 3.150 20 10 DGCDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187180861 432649600 /nfs/dbraw/zinc/64/96/00/432649600.db2.gz NNDWCVVRAGHYHP-IINYFYTJSA-N 1 0 316.239 3.275 20 10 DGCDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187180882 432650328 /nfs/dbraw/zinc/65/03/28/432650328.db2.gz NNDWCVVRAGHYHP-YGRLFVJLSA-N 1 0 316.239 3.275 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000219453192 432664750 /nfs/dbraw/zinc/66/47/50/432664750.db2.gz VGUDSNVLLNDVRW-UKRRQHHQSA-N 1 0 320.433 3.270 20 10 DGCDRO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215587 432723896 /nfs/dbraw/zinc/72/38/96/432723896.db2.gz BTQBJKINLQTVMY-PXNSSMCTSA-N 1 0 315.505 3.449 20 10 DGCDRO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(N(C)C)cc1)n2C ZINC000187590075 432671560 /nfs/dbraw/zinc/67/15/60/432671560.db2.gz RRIQEVURVLVRPS-UHFFFAOYSA-N 1 0 308.429 3.238 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1O ZINC000187660976 432674493 /nfs/dbraw/zinc/67/44/93/432674493.db2.gz AAANAWZMNNVQKG-UHFFFAOYSA-N 1 0 301.308 3.044 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000223661836 432678293 /nfs/dbraw/zinc/67/82/93/432678293.db2.gz BWPHXUJIGOQNKA-KGLIPLIRSA-N 1 0 320.433 3.300 20 10 DGCDRO Cc1ccoc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000266169271 432752758 /nfs/dbraw/zinc/75/27/58/432752758.db2.gz BWQPJBTWXFUMSX-UHFFFAOYSA-N 1 0 314.429 3.087 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1ccccc1O ZINC000275873298 432757193 /nfs/dbraw/zinc/75/71/93/432757193.db2.gz JYPNXNNDZVTCCJ-MRXNPFEDSA-N 1 0 314.433 3.133 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCOCC(F)F ZINC000276191624 432781112 /nfs/dbraw/zinc/78/11/12/432781112.db2.gz HBQRMIKLVVFKQL-UHFFFAOYSA-N 1 0 307.340 3.431 20 10 DGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CS1 ZINC000277110375 432830054 /nfs/dbraw/zinc/83/00/54/432830054.db2.gz HYXLSVFRKWYMLC-AEFFLSMTSA-N 1 0 320.502 3.143 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000277315836 432837687 /nfs/dbraw/zinc/83/76/87/432837687.db2.gz UWOHZAQQGNGKRN-HNNXBMFYSA-N 1 0 324.852 3.164 20 10 DGCDRO CC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278216921 432889257 /nfs/dbraw/zinc/88/92/57/432889257.db2.gz LCGBYBRZRORKKR-UHFFFAOYSA-N 1 0 322.386 3.393 20 10 DGCDRO COc1c(O)c(C[N@H+](C)Cc2ccccc2C)ccc1[N+](=O)[O-] ZINC000278202588 432889472 /nfs/dbraw/zinc/88/94/72/432889472.db2.gz JCXVOOANMYBXQO-UHFFFAOYSA-N 1 0 316.357 3.249 20 10 DGCDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000296298584 432894095 /nfs/dbraw/zinc/89/40/95/432894095.db2.gz FYMKCPGKASACPT-HNNXBMFYSA-N 1 0 320.452 3.455 20 10 DGCDRO CC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C ZINC000296571291 432922910 /nfs/dbraw/zinc/92/29/10/432922910.db2.gz SWXIDACTFLHHCO-ZIAGYGMSSA-N 1 0 320.433 3.272 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C1CCC(O)(c3cccnc3)CC1)CC2 ZINC000296588551 432923292 /nfs/dbraw/zinc/92/32/92/432923292.db2.gz WSBPJEUXXXPUHG-GNZRSQJKSA-N 1 0 324.424 3.195 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1COC3(CCCCC3)O1)CC2 ZINC000296979565 432944895 /nfs/dbraw/zinc/94/48/95/432944895.db2.gz RVVGHKSPBQBZEK-GJZGRUSLSA-N 1 0 303.402 3.045 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)c(O)c1 ZINC000278562959 432896382 /nfs/dbraw/zinc/89/63/82/432896382.db2.gz WVBLIIAELOTYKH-SNVBAGLBSA-N 1 0 309.303 3.268 20 10 DGCDRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3ccccc3O)n2)c1 ZINC000279416879 432966456 /nfs/dbraw/zinc/96/64/56/432966456.db2.gz FJOFVZLTFRKAJM-CHWSQXEVSA-N 1 0 323.400 3.293 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289814549 432974543 /nfs/dbraw/zinc/97/45/43/432974543.db2.gz SZKVJCCVUWCWCP-CYBMUJFWSA-N 1 0 323.742 3.325 20 10 DGCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2c(C)noc2C)cc1OC ZINC000289915017 432979379 /nfs/dbraw/zinc/97/93/79/432979379.db2.gz VHCYYDUUADHYDQ-UHFFFAOYSA-N 1 0 320.389 3.039 20 10 DGCDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000289969042 432980155 /nfs/dbraw/zinc/98/01/55/432980155.db2.gz XGLRUNBHYQIFHB-CYBMUJFWSA-N 1 0 308.422 3.175 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000279650772 432988520 /nfs/dbraw/zinc/98/85/20/432988520.db2.gz BKFMKCLYJXPSIE-UHFFFAOYSA-N 1 0 316.445 3.005 20 10 DGCDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279784213 432992888 /nfs/dbraw/zinc/99/28/88/432992888.db2.gz BCQVEQNMVCAPRW-LBPRGKRZSA-N 1 0 318.383 3.270 20 10 DGCDRO CN(C)C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000297470466 432995287 /nfs/dbraw/zinc/99/52/87/432995287.db2.gz YPFINBHKLJVGAA-IRXDYDNUSA-N 1 0 314.404 3.411 20 10 DGCDRO CC[C@@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)OC ZINC000290184481 433008539 /nfs/dbraw/zinc/00/85/39/433008539.db2.gz NTZHRQCVXZWCEX-KOLCDFICSA-N 1 0 302.212 3.230 20 10 DGCDRO CC[C@@H]([NH2+]CCCC(=O)N(CC)CC)c1ccc(C)cc1O ZINC000280263832 433025386 /nfs/dbraw/zinc/02/53/86/433025386.db2.gz XJMCGUUWLTUUHS-MRXNPFEDSA-N 1 0 306.450 3.390 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2c[nH]c3nccnc23)C2CC2)cc1 ZINC000290391260 433043473 /nfs/dbraw/zinc/04/34/73/433043473.db2.gz JJZIXGNXQAYDMK-UHFFFAOYSA-N 1 0 321.428 3.189 20 10 DGCDRO CN1CCC([N@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000290454609 433056660 /nfs/dbraw/zinc/05/66/60/433056660.db2.gz MPCLDDPMESXZDD-UHFFFAOYSA-N 1 0 300.402 3.082 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)c(O)c1 ZINC000290447261 433054052 /nfs/dbraw/zinc/05/40/52/433054052.db2.gz MDDBRNXRERBSAQ-SFHVURJKSA-N 1 0 307.434 3.308 20 10 DGCDRO CN(C)C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(F)cc1 ZINC000290466232 433061232 /nfs/dbraw/zinc/06/12/32/433061232.db2.gz NFVVICNCAQOMIF-INIZCTEOSA-N 1 0 306.356 3.063 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@@H]2O)c(O)c1C ZINC000290490624 433066391 /nfs/dbraw/zinc/06/63/91/433066391.db2.gz XTTPYHWLMVXZOC-AXHNFQJDSA-N 1 0 313.397 3.154 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1F ZINC000373227182 433133290 /nfs/dbraw/zinc/13/32/90/433133290.db2.gz JHVMTPZSOZXKED-HNNXBMFYSA-N 1 0 316.424 3.005 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000290952953 433210371 /nfs/dbraw/zinc/21/03/71/433210371.db2.gz QULHPIITXSCJEE-AEFFLSMTSA-N 1 0 317.429 3.324 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290901150 433203201 /nfs/dbraw/zinc/20/32/01/433203201.db2.gz MCNCOGAVXYMKPD-NSHDSACASA-N 1 0 312.200 3.343 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@](C)(OC)C2CC2)ccc1OC ZINC000291067015 433221561 /nfs/dbraw/zinc/22/15/61/433221561.db2.gz QNHJCOKRKMWDBQ-SFHVURJKSA-N 1 0 307.434 3.136 20 10 DGCDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1F ZINC000291745094 433333082 /nfs/dbraw/zinc/33/30/82/433333082.db2.gz PJWXMMNFJLIWAQ-UHFFFAOYSA-N 1 0 303.333 3.285 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000375333999 433434348 /nfs/dbraw/zinc/43/43/48/433434348.db2.gz AYWFQAOLQHAIGB-HZPDHXFCSA-N 1 0 323.820 3.392 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1O ZINC000183432590 289973446 /nfs/dbraw/zinc/97/34/46/289973446.db2.gz DDXLYPKNEYERAD-SUMWQHHRSA-N 1 0 302.393 3.485 20 10 DGCDRO CCCC[N@H+](CC(=O)c1cccn1C)Cc1ccccc1O ZINC000282377304 433584868 /nfs/dbraw/zinc/58/48/68/433584868.db2.gz FQUQRGOVILIZCB-UHFFFAOYSA-N 1 0 300.402 3.216 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)cc1OC ZINC000292717201 433590190 /nfs/dbraw/zinc/59/01/90/433590190.db2.gz DUYCCGAQWKGFTB-QGZVFWFLSA-N 1 0 305.418 3.420 20 10 DGCDRO CCC[N@H+](Cc1ccnn1CCCOC)Cc1ccccc1O ZINC000282750751 433625418 /nfs/dbraw/zinc/62/54/18/433625418.db2.gz GXBGTYJNMMHSQM-UHFFFAOYSA-N 1 0 317.433 3.037 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000293663484 433818328 /nfs/dbraw/zinc/81/83/28/433818328.db2.gz IVSSBKLFKMQWJL-NWDGAFQWSA-N 1 0 312.841 3.249 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)c(O)c1 ZINC000293724890 433842963 /nfs/dbraw/zinc/84/29/63/433842963.db2.gz MQPGYQABEGPSSO-INIZCTEOSA-N 1 0 318.461 3.452 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c(O)c1 ZINC000293829378 433886873 /nfs/dbraw/zinc/88/68/73/433886873.db2.gz SIWBIUDTWAYUII-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO CC1=CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000293830432 433887751 /nfs/dbraw/zinc/88/77/51/433887751.db2.gz DUNYTKKEDPZFPV-INIZCTEOSA-N 1 0 304.409 3.251 20 10 DGCDRO CCn1cc([C@@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)cn1 ZINC000294966056 434156571 /nfs/dbraw/zinc/15/65/71/434156571.db2.gz XATCXKGQKWNOLI-SNVBAGLBSA-N 1 0 309.797 3.121 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@H](CO)c2ccccc2)cc1F ZINC000295076033 434183195 /nfs/dbraw/zinc/18/31/95/434183195.db2.gz PTSFLDHQIRIICW-GOSISDBHSA-N 1 0 302.393 3.057 20 10 DGCDRO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000378492081 434201064 /nfs/dbraw/zinc/20/10/64/434201064.db2.gz GCKSKWIJSMZDMK-UHFFFAOYSA-N 1 0 316.445 3.007 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000295205978 434254079 /nfs/dbraw/zinc/25/40/79/434254079.db2.gz ZIFAVSSISWLICQ-ZDUSSCGKSA-N 1 0 304.356 3.200 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2O)[C@@]12CCCO2 ZINC000364338596 434266397 /nfs/dbraw/zinc/26/63/97/434266397.db2.gz BDAVBMJSUJENQV-SPUZQDLCSA-N 1 0 305.418 3.160 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000368144510 434568328 /nfs/dbraw/zinc/56/83/28/434568328.db2.gz ZTDFJDSZFGHWOK-GOSISDBHSA-N 1 0 300.446 3.145 20 10 DGCDRO COc1ccc([C@H]([NH2+]Cc2cccc(OC)c2O)C2CC2)cn1 ZINC000527842284 295139147 /nfs/dbraw/zinc/13/91/47/295139147.db2.gz WNNFLUCBXFFZJY-QGZVFWFLSA-N 1 0 314.385 3.045 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC(OCC3CC3)CC2)c1O ZINC000371335614 434672883 /nfs/dbraw/zinc/67/28/83/434672883.db2.gz LKGDXSJYQGRZMH-UHFFFAOYSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000371808447 434754699 /nfs/dbraw/zinc/75/46/99/434754699.db2.gz IPIUADFOXKJSRK-IBGZPJMESA-N 1 0 323.396 3.014 20 10 DGCDRO O=C([C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O)N1CCCC1 ZINC000372417318 434824029 /nfs/dbraw/zinc/82/40/29/434824029.db2.gz VNTJOALEBNZNPH-OAHLLOKOSA-N 1 0 322.836 3.023 20 10 DGCDRO COc1cccc([C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)OC)c1 ZINC000527924355 435017580 /nfs/dbraw/zinc/01/75/80/435017580.db2.gz GUAROTVBRGQKJW-SJLPKXTDSA-N 1 0 313.397 3.365 20 10 DGCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475188872 435183145 /nfs/dbraw/zinc/18/31/45/435183145.db2.gz BTEGDDNVQLEJNK-CQSZACIVSA-N 1 0 315.461 3.223 20 10 DGCDRO CC(C)Oc1ccc(N(C)C(=O)c2ccccc2CC[NH3+])cc1 ZINC000517037626 435572061 /nfs/dbraw/zinc/57/20/61/435572061.db2.gz CGBJNRJXLPBKIB-UHFFFAOYSA-N 1 0 312.413 3.252 20 10 DGCDRO COc1cc(Cl)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000368043826 332216956 /nfs/dbraw/zinc/21/69/56/332216956.db2.gz QDXOWTXZNOJXMU-WFASDCNBSA-N 1 0 324.852 3.113 20 10 DGCDRO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000185703142 333212496 /nfs/dbraw/zinc/21/24/96/333212496.db2.gz MJHFCGORYGVFIK-ZBFHGGJFSA-N 1 0 315.413 3.392 20 10 DGCDRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000367969369 336833373 /nfs/dbraw/zinc/83/33/73/336833373.db2.gz ZARAQYHPQBJPDT-QRWLVFNGSA-N 1 0 324.424 3.135 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCSC(C)C)CC2)cc1 ZINC000368577909 533998535 /nfs/dbraw/zinc/99/85/35/533998535.db2.gz YRNKRYHDGUZWAY-UHFFFAOYSA-N 1 0 308.491 3.395 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C3CCSCC3)CC2)cc1 ZINC000102432760 534001011 /nfs/dbraw/zinc/00/10/11/534001011.db2.gz YKBDZLFYVDMXQH-UHFFFAOYSA-N 1 0 306.475 3.149 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)CCOc2ccccc2F)c1 ZINC000179620482 534197987 /nfs/dbraw/zinc/19/79/87/534197987.db2.gz QDKPZDOZFKGPPY-UHFFFAOYSA-N 1 0 305.349 3.051 20 10 DGCDRO CCN(CC)[C@H](C[NH2+]Cc1cccc(C)c1O)c1ccco1 ZINC000181256018 520866567 /nfs/dbraw/zinc/86/65/67/520866567.db2.gz XISCLJSMOWDXNG-MRXNPFEDSA-N 1 0 302.418 3.466 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179938322 521057782 /nfs/dbraw/zinc/05/77/82/521057782.db2.gz MZJLKAXHTZRSFD-RDJZCZTQSA-N 1 0 318.461 3.217 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCc3occc32)cc1OC ZINC000182801794 522782414 /nfs/dbraw/zinc/78/24/14/522782414.db2.gz XUFFWXKXQHGEGS-CYBMUJFWSA-N 1 0 303.358 3.170 20 10 DGCDRO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)CC(C)(C)O ZINC000183074377 523271933 /nfs/dbraw/zinc/27/19/33/523271933.db2.gz LPUFZYGOCDCPSL-UHFFFAOYSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000186189792 524772601 /nfs/dbraw/zinc/77/26/01/524772601.db2.gz RZMZDNBRABRPQU-KPZWWZAWSA-N 1 0 319.376 3.098 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000127151770 525339446 /nfs/dbraw/zinc/33/94/46/525339446.db2.gz KPWSEKDBMXQMCP-OAHLLOKOSA-N 1 0 322.412 3.474 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000264932731 525352005 /nfs/dbraw/zinc/35/20/05/525352005.db2.gz BLSCFJZTQUQHKB-CYBMUJFWSA-N 1 0 310.397 3.436 20 10 DGCDRO C[C@H]([NH2+]CCOCC(F)F)c1cc(Br)ccc1O ZINC000188746620 525358372 /nfs/dbraw/zinc/35/83/72/525358372.db2.gz DYJKZQQIYIINJH-QMMMGPOBSA-N 1 0 324.165 3.087 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000268767386 525380938 /nfs/dbraw/zinc/38/09/38/525380938.db2.gz CLSCURWQLZSVMA-SCLBCKFNSA-N 1 0 302.393 3.276 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc([S@@](C)=O)cc1 ZINC000268897386 525531015 /nfs/dbraw/zinc/53/10/15/525531015.db2.gz ZDTQKOQIELWCMB-MCMMXHMISA-N 1 0 315.438 3.210 20 10 DGCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2c(O)cccc2Cl)c(C)o1 ZINC000266150780 525551745 /nfs/dbraw/zinc/55/17/45/525551745.db2.gz KJVLVMBFHKNQEE-MRXNPFEDSA-N 1 0 309.793 3.253 20 10 DGCDRO Cc1cc(/C=C/C(=O)N2CCC([NH3+])CC2)c(C)n1-c1ccccc1 ZINC000237641502 526081220 /nfs/dbraw/zinc/08/12/20/526081220.db2.gz KFGVZUZFAFKULE-CMDGGOBGSA-N 1 0 323.440 3.057 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000179977870 526346015 /nfs/dbraw/zinc/34/60/15/526346015.db2.gz LSRUYTCUXPWSMZ-MRXNPFEDSA-N 1 0 305.349 3.306 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000190022189 526372488 /nfs/dbraw/zinc/37/24/88/526372488.db2.gz ABAVOJDLWMFKTC-UHFFFAOYSA-N 1 0 319.351 3.154 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000368485976 526432078 /nfs/dbraw/zinc/43/20/78/526432078.db2.gz AADWFVNHQHJATA-LJQANCHMSA-N 1 0 300.446 3.432 20 10 DGCDRO Cn1c2ccccc2nc1CCC[NH2+]Cc1cc(F)ccc1O ZINC000180924046 527114009 /nfs/dbraw/zinc/11/40/09/527114009.db2.gz VPHDDHOQVPVRLN-UHFFFAOYSA-N 1 0 313.376 3.140 20 10 DGCDRO OCC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000265867707 527560564 /nfs/dbraw/zinc/56/05/64/527560564.db2.gz LOEMQLZYYIZIOS-AWEZNQCLSA-N 1 0 305.805 3.301 20 10 DGCDRO CCOCC[N@H+](CC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000299337286 535584695 /nfs/dbraw/zinc/58/46/95/535584695.db2.gz KZEWJANICYLTTD-UHFFFAOYSA-N 1 0 320.477 3.160 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1 ZINC000288480245 535752258 /nfs/dbraw/zinc/75/22/58/535752258.db2.gz GKJWJBQAHMQURH-UGSOOPFHSA-N 1 0 301.386 3.003 20 10 DGCDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)OC ZINC000272629789 536628830 /nfs/dbraw/zinc/62/88/30/536628830.db2.gz AONVOYZAEZIICG-GOEBONIOSA-N 1 0 324.440 3.128 20 10 DGCDRO COc1ccc(CC[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000119929925 536842155 /nfs/dbraw/zinc/84/21/55/536842155.db2.gz MDNUOBKHBBOOPM-CYBMUJFWSA-N 1 0 301.386 3.303 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCCc3ccccc32)cc1C ZINC000731360888 574547808 /nfs/dbraw/zinc/54/78/08/574547808.db2.gz UFWBBKDSFMCSPZ-FQEVSTJZSA-N 1 0 311.425 3.317 20 10 DGCDRO CN(C[C@@H]1CC1(Cl)Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410673 574574007 /nfs/dbraw/zinc/57/40/07/574574007.db2.gz GGTLVTJWWPTBJD-LBPRGKRZSA-N 1 0 317.260 3.257 20 10 DGCDRO CCC[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000732590282 574576468 /nfs/dbraw/zinc/57/64/68/574576468.db2.gz MEOKKFWFOKCHGF-UHFFFAOYSA-N 1 0 301.478 3.205 20 10 DGCDRO C[C@H]1C[C@H](C)C[NH+](CCCNCc2ccc(N(C)C)c(F)c2)C1 ZINC000733324567 574615874 /nfs/dbraw/zinc/61/58/74/574615874.db2.gz KVRFSIPJAOFXPR-HOTGVXAUSA-N 1 0 321.484 3.349 20 10 DGCDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(N(C)C)c(F)c1 ZINC000733325270 574615920 /nfs/dbraw/zinc/61/59/20/574615920.db2.gz HKVPUOXERXMMLD-OWCLPIDISA-N 1 0 321.484 3.348 20 10 DGCDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(N(C)C)c(F)c1 ZINC000733325272 574615972 /nfs/dbraw/zinc/61/59/72/574615972.db2.gz HKVPUOXERXMMLD-XHSDSOJGSA-N 1 0 321.484 3.348 20 10 DGCDRO CSC[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000736361187 574745633 /nfs/dbraw/zinc/74/56/33/574745633.db2.gz PKYVWVJGIHOLNG-CYBMUJFWSA-N 1 0 323.462 3.426 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000738103936 574859379 /nfs/dbraw/zinc/85/93/79/574859379.db2.gz HVOCOXQWBCMIJY-INIZCTEOSA-N 1 0 311.429 3.001 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCOC[C@H]2CCCO2)cc1 ZINC000741244840 574954130 /nfs/dbraw/zinc/95/41/30/574954130.db2.gz KKWQTFBZFZPRJR-LJQANCHMSA-N 1 0 320.477 3.160 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000741678528 574966482 /nfs/dbraw/zinc/96/64/82/574966482.db2.gz SWPLAYJLXIKOBL-HNNXBMFYSA-N 1 0 319.493 3.268 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CC2)ccc1N1CCCCC1 ZINC000742383298 574994811 /nfs/dbraw/zinc/99/48/11/574994811.db2.gz YKDPOXIYXIBRGP-UHFFFAOYSA-N 1 0 303.406 3.475 20 10 DGCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)ccc1O ZINC000743499931 575054739 /nfs/dbraw/zinc/05/47/39/575054739.db2.gz QFKWBOMXMYDLIJ-MFKMUULPSA-N 1 0 316.239 3.041 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)OC(C)C)cc1 ZINC000743839293 575064838 /nfs/dbraw/zinc/06/48/38/575064838.db2.gz BSXRNMNPIFTMGV-UHFFFAOYSA-N 1 0 306.450 3.306 20 10 DGCDRO CC[N@H+](Cc1cc(Br)ccc1O)CC1(C)COC1 ZINC000743870974 575067434 /nfs/dbraw/zinc/06/74/34/575067434.db2.gz JZJLQIMOMTZPBF-UHFFFAOYSA-N 1 0 314.223 3.013 20 10 DGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCOC1 ZINC000743873705 575067664 /nfs/dbraw/zinc/06/76/64/575067664.db2.gz RXNRAOAJFURLAY-LLVKDONJSA-N 1 0 314.223 3.013 20 10 DGCDRO CCOc1ccc(C[NH2+]CCCC(=O)OC(C)(C)C)c(O)c1 ZINC000744449937 575343939 /nfs/dbraw/zinc/34/39/39/575343939.db2.gz IWRKMYNWEFTNET-UHFFFAOYSA-N 1 0 309.406 3.002 20 10 DGCDRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2ccccc2O)o1 ZINC000746876535 575481472 /nfs/dbraw/zinc/48/14/72/575481472.db2.gz KDBAKRBMFGFEKN-UHFFFAOYSA-N 1 0 316.401 3.099 20 10 DGCDRO CC(C)(C)[N@@H+]1CCCN(Cc2c(O)ccc3ccncc32)CC1 ZINC000748081839 575559738 /nfs/dbraw/zinc/55/97/38/575559738.db2.gz DXHPQZPCHRWEPL-UHFFFAOYSA-N 1 0 313.445 3.247 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c(O)c1 ZINC000748246812 575575334 /nfs/dbraw/zinc/57/53/34/575575334.db2.gz PRUNIMSUGWCFEW-QGZVFWFLSA-N 1 0 317.433 3.401 20 10 DGCDRO 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ZINC000894748838 618443279 /nfs/dbraw/zinc/44/32/79/618443279.db2.gz XPNBCCMUQLZRHT-GOEBONIOSA-N 1 0 307.434 3.225 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)c1O ZINC000894747774 618443466 /nfs/dbraw/zinc/44/34/66/618443466.db2.gz NOHPANYRAPBQDK-KSSFIOAISA-N 1 0 315.413 3.229 20 10 DGCDRO COc1ccc(C[NH2+]CCc2c(C)cccc2C)c(O)c1OC ZINC000893170300 618457346 /nfs/dbraw/zinc/45/73/46/618457346.db2.gz HRMUKIOULZJBIS-UHFFFAOYSA-N 1 0 315.413 3.359 20 10 DGCDRO CC[C@H]([NH2+]CCN1CCSCC1)c1cc(Cl)ccc1O ZINC000775503216 618501188 /nfs/dbraw/zinc/50/11/88/618501188.db2.gz DOCZPQWCOIPIMP-AWEZNQCLSA-N 1 0 314.882 3.135 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c(Cl)c1 ZINC000840905551 618516877 /nfs/dbraw/zinc/51/68/77/618516877.db2.gz ABEKSZHVNRKFRV-QGZVFWFLSA-N 1 0 323.795 3.490 20 10 DGCDRO c1csc(SCCC[NH2+][C@H](C2CCC2)[C@H]2CCOC2)n1 ZINC000925104391 618521755 /nfs/dbraw/zinc/52/17/55/618521755.db2.gz YLNDYRIKHCBPMX-UONOGXRCSA-N 1 0 312.504 3.420 20 10 DGCDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c(O)c1OC ZINC000893497353 618573949 /nfs/dbraw/zinc/57/39/49/618573949.db2.gz ISSMPSIUICIPKO-NWANDNLSSA-N 1 0 305.418 3.420 20 10 DGCDRO COc1ccc(C[N@H+](C)C[C@@H](C)c2nccs2)c(O)c1OC ZINC000893536582 618588267 /nfs/dbraw/zinc/58/82/67/618588267.db2.gz WLYMUFSCVANAEA-LLVKDONJSA-N 1 0 322.430 3.101 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c(O)c1OC ZINC000893684933 618638519 /nfs/dbraw/zinc/63/85/19/618638519.db2.gz IEVXLIBNQFRTAQ-GDBMZVCRSA-N 1 0 323.433 3.093 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1ccc(N(C)C)cc1 ZINC000925855856 618647301 /nfs/dbraw/zinc/64/73/01/618647301.db2.gz IFDXQPUQLIDSTE-WFASDCNBSA-N 1 0 315.383 3.088 20 10 DGCDRO Cc1noc2ncc(C[NH2+]Cc3ccc(N(C)C)cc3C)cc12 ZINC000894256441 618741707 /nfs/dbraw/zinc/74/17/07/618741707.db2.gz QPYUWISTWRXRQW-UHFFFAOYSA-N 1 0 310.401 3.195 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@](C)(CO)C2CCCCC2)c1O ZINC000894277423 618749835 /nfs/dbraw/zinc/74/98/35/618749835.db2.gz 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COc1cc(C)cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1O ZINC000896258193 618892970 /nfs/dbraw/zinc/89/29/70/618892970.db2.gz YJQIPAVSOHWRFI-LQDVMPOASA-N 1 0 307.459 3.473 20 10 DGCDRO COc1ccc2nc(C[NH2+]Cc3ccccc3O)sc2c1 ZINC000788959754 625304900 /nfs/dbraw/zinc/30/49/00/625304900.db2.gz BWKKWBPVHUOWHB-UHFFFAOYSA-N 1 0 300.383 3.300 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1O ZINC000896820194 618965098 /nfs/dbraw/zinc/96/50/98/618965098.db2.gz DOPBMLSIEVJVER-QWHCGFSZSA-N 1 0 303.324 3.290 20 10 DGCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cccc(CC)c3O)C2)n1 ZINC000897042005 619007553 /nfs/dbraw/zinc/00/75/53/619007553.db2.gz GGLBUAPVBBVVOK-ZFWWWQNUSA-N 1 0 315.417 3.326 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000897234840 619034138 /nfs/dbraw/zinc/03/41/38/619034138.db2.gz RCBLBIWQRLFYEZ-GOSISDBHSA-N 1 0 301.361 3.325 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@H](Cc3nc(C)cs3)C2)c1O ZINC000897299095 619048714 /nfs/dbraw/zinc/04/87/14/619048714.db2.gz UMADWIKNYHSJTQ-ZDUSSCGKSA-N 1 0 318.442 3.230 20 10 DGCDRO CN(C)c1ccc([C@H](CNc2cccc(F)n2)[NH+](C)C)cc1 ZINC000897524601 619147302 /nfs/dbraw/zinc/14/73/02/619147302.db2.gz AEVVXIXPXAFEMD-HNNXBMFYSA-N 1 0 302.397 3.002 20 10 DGCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000897525228 619148341 /nfs/dbraw/zinc/14/83/41/619148341.db2.gz KUXXBYYHEKMRCY-OAHLLOKOSA-N 1 0 317.351 3.195 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752801 619153365 /nfs/dbraw/zinc/15/33/65/619153365.db2.gz CDCBEWZKTVXNPV-NEPJUHHUSA-N 1 0 312.841 3.249 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752803 619153372 /nfs/dbraw/zinc/15/33/72/619153372.db2.gz CDCBEWZKTVXNPV-NWDGAFQWSA-N 1 0 312.841 3.249 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H]1O ZINC000897679200 619172698 /nfs/dbraw/zinc/17/26/98/619172698.db2.gz IOGSWLONCUSLQQ-KSSFIOAISA-N 1 0 316.470 3.197 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOC23CCCCC3)c1 ZINC000897728944 619175051 /nfs/dbraw/zinc/17/50/51/619175051.db2.gz QYWFWOXWAGYYLG-QGZVFWFLSA-N 1 0 305.418 3.372 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](CCO)C2CCCC2)ccc1OC ZINC000897885410 619191554 /nfs/dbraw/zinc/19/15/54/619191554.db2.gz JIAXEOIZUJJNRJ-SFHVURJKSA-N 1 0 321.461 3.263 20 10 DGCDRO CCOc1cc(C[NH2+]CCc2ccc(N)cc2)ccc1OC ZINC000841036504 619192759 /nfs/dbraw/zinc/19/27/59/619192759.db2.gz PFWXCJUACYGWEA-UHFFFAOYSA-N 1 0 300.402 3.008 20 10 DGCDRO CCCCC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000897935946 619196864 /nfs/dbraw/zinc/19/68/64/619196864.db2.gz KITAVHIPOJYOJP-UHFFFAOYSA-N 1 0 302.462 3.460 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2cccnc2)c1O ZINC000897969251 619200521 /nfs/dbraw/zinc/20/05/21/619200521.db2.gz HRGQDNUHCUFWNC-NSHDSACASA-N 1 0 306.793 3.170 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@H](N)c1ccc(C(C)C)cc1 ZINC000841037439 619207147 /nfs/dbraw/zinc/20/71/47/619207147.db2.gz QHMAFEVHMBVEES-KRWDZBQOSA-N 1 0 314.429 3.314 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1F ZINC000898070826 619212324 /nfs/dbraw/zinc/21/23/24/619212324.db2.gz ADLYSLSKUAMMLT-AWEZNQCLSA-N 1 0 319.449 3.413 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CCO)cc2)cc1Cl ZINC000898169804 619220071 /nfs/dbraw/zinc/22/00/71/619220071.db2.gz PCNTYTXCMRUONL-UHFFFAOYSA-N 1 0 305.805 3.179 20 10 DGCDRO Cc1nc2ccccn2c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000898277164 619231585 /nfs/dbraw/zinc/23/15/85/619231585.db2.gz VTCOLVLQTSJTCY-UHFFFAOYSA-N 1 0 312.392 3.138 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000841040921 619242095 /nfs/dbraw/zinc/24/20/95/619242095.db2.gz CQBRJWMFUJOVFT-KRWDZBQOSA-N 1 0 319.399 3.480 20 10 DGCDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841041752 619243031 /nfs/dbraw/zinc/24/30/31/619243031.db2.gz BHCCLTBHSFSHTQ-OXQOHEQNSA-N 1 0 311.473 3.282 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc(F)cc(Cl)c2)cc1 ZINC000841045509 619247266 /nfs/dbraw/zinc/24/72/66/619247266.db2.gz LYWYLCMGYNMIPY-QGZVFWFLSA-N 1 0 321.827 3.335 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c(O)c1 ZINC000926959027 619252638 /nfs/dbraw/zinc/25/26/38/619252638.db2.gz AINKUILQSXSWPW-RISCZKNCSA-N 1 0 304.356 3.234 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1 ZINC000927072686 619262275 /nfs/dbraw/zinc/26/22/75/619262275.db2.gz YRHUTQRBJMLWNV-SJKOYZFVSA-N 1 0 303.406 3.182 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898385879 619269652 /nfs/dbraw/zinc/26/96/52/619269652.db2.gz GSUQDGHJUBDYIG-RBUKOAKNSA-N 1 0 300.446 3.192 20 10 DGCDRO COC(=O)C1(CCCC[NH2+]Cc2c(C)cccc2O)CCC1 ZINC000898409347 619273425 /nfs/dbraw/zinc/27/34/25/619273425.db2.gz XAWDFZHCOMRJBF-UHFFFAOYSA-N 1 0 305.418 3.304 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000898516055 619283124 /nfs/dbraw/zinc/28/31/24/619283124.db2.gz KRQPILBXSQNBIR-HZPDHXFCSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000898516594 619283425 /nfs/dbraw/zinc/28/34/25/619283425.db2.gz VDRJHUHEZXTJEP-GJZGRUSLSA-N 1 0 305.418 3.039 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2N)c2c1c(F)ccc2O ZINC000902437011 619635853 /nfs/dbraw/zinc/63/58/53/619635853.db2.gz GHLKTPQPWANSFV-FFONGLNXSA-N 1 0 312.388 3.294 20 10 DGCDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1nncn1C ZINC000903064510 619709299 /nfs/dbraw/zinc/70/92/99/619709299.db2.gz MZOLXSZXTZRGEO-YGRLFVJLSA-N 1 0 308.813 3.222 20 10 DGCDRO CC(C)[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nncn1C ZINC000903067140 619709944 /nfs/dbraw/zinc/70/99/44/619709944.db2.gz ZAOMYFRKGIUWTM-NSODJVPESA-N 1 0 318.396 3.195 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccnn1-c1ccccc1)CC2 ZINC000903168050 619732548 /nfs/dbraw/zinc/73/25/48/619732548.db2.gz CZDAAFZBYIDNCP-GOSISDBHSA-N 1 0 319.408 3.398 20 10 DGCDRO CCN(C(=O)C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000903195493 619734059 /nfs/dbraw/zinc/73/40/59/619734059.db2.gz UKFFQVXYMOZEQR-INIZCTEOSA-N 1 0 310.397 3.022 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nc(CN(C)C)cs2)c(O)c1 ZINC000903223080 619741940 /nfs/dbraw/zinc/74/19/40/619741940.db2.gz TWJZMFIIFQUQQG-LBPRGKRZSA-N 1 0 305.447 3.070 20 10 DGCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903256122 619745861 /nfs/dbraw/zinc/74/58/61/619745861.db2.gz HKDSUBPMNTXTAK-IUODEOHRSA-N 1 0 317.351 3.453 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)CCc2ccccc2)c1 ZINC000903289973 619755180 /nfs/dbraw/zinc/75/51/80/619755180.db2.gz PRMHZOZGQKKFBB-ZBFHGGJFSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(F)c2)c1 ZINC000903310304 619757397 /nfs/dbraw/zinc/75/73/97/619757397.db2.gz PUYJFKNWZWRGDM-XIKOKIGWSA-N 1 0 319.376 3.098 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000903406451 619771716 /nfs/dbraw/zinc/77/17/16/619771716.db2.gz VOIOXWSWBVGNGK-DNVCBOLYSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cscn1 ZINC000903447834 619778114 /nfs/dbraw/zinc/77/81/14/619778114.db2.gz CWYJLXUHWLVXBY-GUYCJALGSA-N 1 0 318.490 3.163 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000903447646 619778375 /nfs/dbraw/zinc/77/83/75/619778375.db2.gz ANPUCCRIBUPJOX-LZWOXQAQSA-N 1 0 304.434 3.135 20 10 DGCDRO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000903948825 619844260 /nfs/dbraw/zinc/84/42/60/619844260.db2.gz VRRSHTVFXUSKAZ-KRWDZBQOSA-N 1 0 312.369 3.156 20 10 DGCDRO COc1cccc(CN(CC[NH3+])Cc2cccc(Cl)c2)c1O ZINC000903953367 619845916 /nfs/dbraw/zinc/84/59/16/619845916.db2.gz DJXKPHZCILILMZ-UHFFFAOYSA-N 1 0 320.820 3.015 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)C1(Cl)CC1)c1ccc(N2CCOCC2)cc1 ZINC000924795910 619894355 /nfs/dbraw/zinc/89/43/55/619894355.db2.gz RDUILZQAIBIJGY-ZIAGYGMSSA-N 1 0 308.853 3.334 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1C(C)C ZINC000905695329 620020721 /nfs/dbraw/zinc/02/07/21/620020721.db2.gz NQHOPWUUROQYFM-AWEZNQCLSA-N 1 0 305.418 3.019 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1C(C)C ZINC000905695331 620020757 /nfs/dbraw/zinc/02/07/57/620020757.db2.gz NQHOPWUUROQYFM-CQSZACIVSA-N 1 0 305.418 3.019 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2COC(C)(C)C)c1O ZINC000905725423 620022419 /nfs/dbraw/zinc/02/24/19/620022419.db2.gz SRWAYZHSYWTTOD-OAHLLOKOSA-N 1 0 307.434 3.489 20 10 DGCDRO Cc1nc(CC2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)no1 ZINC000905734411 620023958 /nfs/dbraw/zinc/02/39/58/620023958.db2.gz DFKAVBAQFSIBIA-UHFFFAOYSA-N 1 0 315.417 3.155 20 10 DGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151514915 620453782 /nfs/dbraw/zinc/45/37/82/620453782.db2.gz DVBBGNIFMFYAKM-KBPBESRZSA-N 1 0 308.441 3.311 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2)cc1F ZINC000152116939 620492795 /nfs/dbraw/zinc/49/27/95/620492795.db2.gz HKBHINADQORKID-OAHLLOKOSA-N 1 0 318.440 3.294 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000152601477 620514298 /nfs/dbraw/zinc/51/42/98/620514298.db2.gz SJQVVKPJNSQPNY-NSHDSACASA-N 1 0 302.237 3.140 20 10 DGCDRO Cc1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)ccc1N1CCCCC1 ZINC000852580909 620631476 /nfs/dbraw/zinc/63/14/76/620631476.db2.gz GDSHOUVDTGDHHH-OALUTQOASA-N 1 0 314.473 3.378 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)ccc1N1CCCCC1 ZINC000852580907 620631479 /nfs/dbraw/zinc/63/14/79/620631479.db2.gz GDSHOUVDTGDHHH-MOPGFXCFSA-N 1 0 314.473 3.378 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c1 ZINC000788073922 620893152 /nfs/dbraw/zinc/89/31/52/620893152.db2.gz ATMXTLOJPAMLHY-INIZCTEOSA-N 1 0 317.433 3.054 20 10 DGCDRO CCc1nc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cs1 ZINC000921653253 620927852 /nfs/dbraw/zinc/92/78/52/620927852.db2.gz GOEGLDNNCOYGHO-UHFFFAOYSA-N 1 0 302.443 3.363 20 10 DGCDRO OCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccs1 ZINC000921771074 620947395 /nfs/dbraw/zinc/94/73/95/620947395.db2.gz PFUXAANGTLIPTJ-OAHLLOKOSA-N 1 0 303.427 3.286 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCO[C@]3(CCSC3)C1)CCCO2 ZINC000921862091 620963510 /nfs/dbraw/zinc/96/35/10/620963510.db2.gz MLKFQJUHSDDFBM-SJLPKXTDSA-N 1 0 319.470 3.156 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H]1CCCC13CCOCC3)CCCO2 ZINC000922102679 620989367 /nfs/dbraw/zinc/98/93/67/620989367.db2.gz NYMVJKXZIRCTNV-SFHVURJKSA-N 1 0 301.430 3.451 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc3c(c2)ncn3C)cc1 ZINC000922482580 621045283 /nfs/dbraw/zinc/04/52/83/621045283.db2.gz TYZMZLIKSDJSSV-PLNGDYQASA-N 1 0 320.440 3.442 20 10 DGCDRO OC[C@H](CCc1ccccc1)[NH2+]Cc1c(O)cccc1Cl ZINC000922543399 621054239 /nfs/dbraw/zinc/05/42/39/621054239.db2.gz CLQDOBWTEVKICA-AWEZNQCLSA-N 1 0 305.805 3.129 20 10 DGCDRO COc1ccc(CN[C@H](CC[NH+](C)C)c2cccnc2)cc1C ZINC000922632800 621070862 /nfs/dbraw/zinc/07/08/62/621070862.db2.gz WCUUJOPIIIEUDC-GOSISDBHSA-N 1 0 313.445 3.181 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c(O)c1 ZINC000922703413 621085977 /nfs/dbraw/zinc/08/59/77/621085977.db2.gz VRLXSIVCQIAUFU-ZDUSSCGKSA-N 1 0 313.397 3.404 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1C ZINC000922708988 621087140 /nfs/dbraw/zinc/08/71/40/621087140.db2.gz OPRFGZFYVIPLLQ-AWEZNQCLSA-N 1 0 316.367 3.125 20 10 DGCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(N(C)C)cc3)C2)n1 ZINC000922872422 621112431 /nfs/dbraw/zinc/11/24/31/621112431.db2.gz KMZSHQWZTFQANZ-GJZGRUSLSA-N 1 0 314.433 3.124 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)C2)n1 ZINC000922872423 621112606 /nfs/dbraw/zinc/11/26/06/621112606.db2.gz KMZSHQWZTFQANZ-HUUCEWRRSA-N 1 0 314.433 3.124 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCOC2CCOCC2)cc1C ZINC000922927896 621132805 /nfs/dbraw/zinc/13/28/05/621132805.db2.gz ABGGYVXNVZJOCI-UHFFFAOYSA-N 1 0 307.434 3.069 20 10 DGCDRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)/C=C/c2cccnc2)C1 ZINC000857932784 621134279 /nfs/dbraw/zinc/13/42/79/621134279.db2.gz WBBMNSSQPZWQTI-ZPHJMFTNSA-N 1 0 321.424 3.004 20 10 DGCDRO COc1cccc(C[NH2+]CC[C@H]2OCCc3ccccc32)c1O ZINC000922963246 621140380 /nfs/dbraw/zinc/14/03/80/621140380.db2.gz LGGJPOAGKRWFAM-QGZVFWFLSA-N 1 0 313.397 3.195 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1 ZINC000923005594 621145939 /nfs/dbraw/zinc/14/59/39/621145939.db2.gz YQHGVOYCWJKSRP-WKILWMFISA-N 1 0 316.470 3.245 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858088361 621151170 /nfs/dbraw/zinc/15/11/70/621151170.db2.gz AXUPABZHRNRBPO-UHFFFAOYSA-N 1 0 319.399 3.387 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000858146356 621157828 /nfs/dbraw/zinc/15/78/28/621157828.db2.gz VODFWDHHOFEWMN-VUCTXSBTSA-N 1 0 324.415 3.324 20 10 DGCDRO CN(C)c1cc(F)c(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1F ZINC000858146665 621158044 /nfs/dbraw/zinc/15/80/44/621158044.db2.gz KQUTZLJNGRBIBW-GOOCMWNKSA-N 1 0 323.431 3.136 20 10 DGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858180044 621162225 /nfs/dbraw/zinc/16/22/25/621162225.db2.gz KALYPOLLOCFXIZ-GHMZBOCLSA-N 1 0 314.223 3.202 20 10 DGCDRO CCC[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OCC ZINC000858210193 621164940 /nfs/dbraw/zinc/16/49/40/621164940.db2.gz IOHUNEQGLZSVHM-IBGZPJMESA-N 1 0 320.477 3.459 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cc(Cl)ccc1O ZINC000858479395 621196171 /nfs/dbraw/zinc/19/61/71/621196171.db2.gz QYYRKFVJLJCOMW-CMPLNLGQSA-N 1 0 318.795 3.426 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)c(O)c1C ZINC000858479541 621196684 /nfs/dbraw/zinc/19/66/84/621196684.db2.gz UUNCDOCMQSHQEC-KGLIPLIRSA-N 1 0 312.404 3.389 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](CC)c2ccc(C)cc2O)C1 ZINC000858508724 621200110 /nfs/dbraw/zinc/20/01/10/621200110.db2.gz OPDLDEJURATYJE-GDBMZVCRSA-N 1 0 303.402 3.393 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c1O ZINC000858531727 621202284 /nfs/dbraw/zinc/20/22/84/621202284.db2.gz JLUUDQDWUBRQFY-ZFWWWQNUSA-N 1 0 304.434 3.068 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c1O ZINC000858531724 621202381 /nfs/dbraw/zinc/20/23/81/621202381.db2.gz JLUUDQDWUBRQFY-UKRRQHHQSA-N 1 0 304.434 3.068 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccns1 ZINC000858579942 621206640 /nfs/dbraw/zinc/20/66/40/621206640.db2.gz ZNOFDEUGMHCBHJ-KBPBESRZSA-N 1 0 317.458 3.392 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Cl)ccc1O ZINC000858603956 621208930 /nfs/dbraw/zinc/20/89/30/621208930.db2.gz YIJHLQWZRRHHEY-LSDHHAIUSA-N 1 0 322.836 3.240 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cnc(C3CC3)nc2)n1 ZINC000838963480 621307614 /nfs/dbraw/zinc/30/76/14/621307614.db2.gz VQURWBHMCXEIRF-UHFFFAOYSA-N 1 0 306.460 3.083 20 10 DGCDRO CC1(C)CCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146461 621332756 /nfs/dbraw/zinc/33/27/56/621332756.db2.gz IMXOLPCLMFFGCO-INIZCTEOSA-N 1 0 324.415 3.470 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc(F)c1N1CCOCC1 ZINC000839146188 621333049 /nfs/dbraw/zinc/33/30/49/621333049.db2.gz YVMFOZSYZCRZJC-JJRVBVJISA-N 1 0 322.399 3.080 20 10 DGCDRO Fc1cc(C[NH2+]Cc2cccs2)cc(F)c1N1CCOCC1 ZINC000839146325 621333067 /nfs/dbraw/zinc/33/30/67/621333067.db2.gz COGAZHKVYQWBGI-UHFFFAOYSA-N 1 0 324.396 3.153 20 10 DGCDRO C[C@H]1CC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000839146315 621333108 /nfs/dbraw/zinc/33/31/08/621333108.db2.gz CIEYUINARLTKTA-JSGCOSHPSA-N 1 0 310.388 3.080 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH+]2CC(CCO)C2)cc1 ZINC000839136948 621339943 /nfs/dbraw/zinc/33/99/43/621339943.db2.gz VBXVTQWLTVSIDX-UHFFFAOYSA-N 1 0 316.470 3.199 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1O ZINC000839171777 621342749 /nfs/dbraw/zinc/34/27/49/621342749.db2.gz JXFIQCIJFJCJFL-XJKSGUPXSA-N 1 0 319.426 3.125 20 10 DGCDRO COc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000839187603 621345882 /nfs/dbraw/zinc/34/58/82/621345882.db2.gz XFQRXQSLUHENOW-UHFFFAOYSA-N 1 0 320.458 3.026 20 10 DGCDRO COc1cccc(O)c1CNc1ccc(C[NH+](C)C)c(C)c1 ZINC000839188292 621345979 /nfs/dbraw/zinc/34/59/79/621345979.db2.gz DXHZTXKZKASKRE-UHFFFAOYSA-N 1 0 300.402 3.383 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C3CCC(OC)CC3)CC2)cc1 ZINC000753552251 621448027 /nfs/dbraw/zinc/44/80/27/621448027.db2.gz BJKYCMJBNZCTNB-UHFFFAOYSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000753589605 621452454 /nfs/dbraw/zinc/45/24/54/621452454.db2.gz KFQXQKVDLPTODP-OAHLLOKOSA-N 1 0 317.360 3.193 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000753592952 621452460 /nfs/dbraw/zinc/45/24/60/621452460.db2.gz WJYRACNMHPZCBK-QGZVFWFLSA-N 1 0 301.361 3.493 20 10 DGCDRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000754119895 621489175 /nfs/dbraw/zinc/48/91/75/621489175.db2.gz FAJUYNPOXRDSOP-DVOMOZLQSA-N 1 0 308.853 3.256 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccccc2N(C)C)c(O)c1 ZINC000754348225 621504422 /nfs/dbraw/zinc/50/44/22/621504422.db2.gz FBAHXLNSEOKMEH-UHFFFAOYSA-N 1 0 300.402 3.147 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1F ZINC000862228930 621564192 /nfs/dbraw/zinc/56/41/92/621564192.db2.gz KXDAVNXOCSEEQP-LBPRGKRZSA-N 1 0 320.387 3.134 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)CCC2CCOCC2)cc1F ZINC000862248236 621567240 /nfs/dbraw/zinc/56/72/40/621567240.db2.gz UDWOYNFSBHHLBL-UHFFFAOYSA-N 1 0 312.404 3.279 20 10 DGCDRO CC[C@]1(CO)CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862333123 621574994 /nfs/dbraw/zinc/57/49/94/621574994.db2.gz NTXQBHVZVOLOID-KRWDZBQOSA-N 1 0 312.404 3.015 20 10 DGCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862351267 621576353 /nfs/dbraw/zinc/57/63/53/621576353.db2.gz IMFUKWUTISDDPL-GXTWGEPZSA-N 1 0 312.404 3.156 20 10 DGCDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862351269 621576384 /nfs/dbraw/zinc/57/63/84/621576384.db2.gz IMFUKWUTISDDPL-OCCSQVGLSA-N 1 0 312.404 3.156 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1O ZINC000862367065 621579259 /nfs/dbraw/zinc/57/92/59/621579259.db2.gz UQBKKGBUJXDICR-UHFFFAOYSA-N 1 0 322.355 3.035 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC1(C)C ZINC000862385683 621582530 /nfs/dbraw/zinc/58/25/30/621582530.db2.gz AWHJFVBUVYFRAM-MRXNPFEDSA-N 1 0 312.404 3.278 20 10 DGCDRO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C)C1(F)F ZINC000862442580 621590663 /nfs/dbraw/zinc/59/06/63/621590663.db2.gz IRZQSBBJVOYZEL-GASCZTMLSA-N 1 0 324.415 3.246 20 10 DGCDRO C[C@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000755929380 621604468 /nfs/dbraw/zinc/60/44/68/621604468.db2.gz BWJQXEGPDUABIE-IBGZPJMESA-N 1 0 311.381 3.285 20 10 DGCDRO Cc1ccc(O)c(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000862757186 621613819 /nfs/dbraw/zinc/61/38/19/621613819.db2.gz KNNFCOPAXXRLTL-QGZVFWFLSA-N 1 0 312.413 3.010 20 10 DGCDRO CCN(CC[NH2+]Cc1cccc(C)c1O)CCC(F)(F)F ZINC000756129912 621617207 /nfs/dbraw/zinc/61/72/07/621617207.db2.gz RBHRUCMDAFHEHB-UHFFFAOYSA-N 1 0 304.356 3.065 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(Br)cc1O ZINC000756343606 621629568 /nfs/dbraw/zinc/62/95/68/621629568.db2.gz PRVWQFKSUXHCOO-JTQLQIEISA-N 1 0 315.255 3.146 20 10 DGCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756363669 621631262 /nfs/dbraw/zinc/63/12/62/621631262.db2.gz QCZQDTLRLTUVAM-ZIAGYGMSSA-N 1 0 321.421 3.216 20 10 DGCDRO Cc1nn(C)c(C)c1CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756378449 621633092 /nfs/dbraw/zinc/63/30/92/621633092.db2.gz DTIYFVQZWKAVLV-BMIGLBTASA-N 1 0 317.408 3.262 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000756382568 621633399 /nfs/dbraw/zinc/63/33/99/621633399.db2.gz RMMPRJWGIQOHNC-SJCJKPOMSA-N 1 0 301.386 3.248 20 10 DGCDRO C[C@H]([NH2+]CCN1CCCCC1)c1cc2c(cc1O)CCCC2 ZINC000756396854 621635015 /nfs/dbraw/zinc/63/50/15/621635015.db2.gz LTYODJDPYBXVSI-HNNXBMFYSA-N 1 0 302.462 3.408 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)c(O)c1C ZINC000756394820 621635257 /nfs/dbraw/zinc/63/52/57/621635257.db2.gz AHWUKSWOGAUOEI-CVEARBPZSA-N 1 0 315.413 3.100 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000119240652 621636643 /nfs/dbraw/zinc/63/66/43/621636643.db2.gz NUOSLGJDEUJCDL-WBVHZDCISA-N 1 0 318.461 3.131 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCOCC(F)(F)F)c2c1c(F)ccc2O ZINC000756467949 621639960 /nfs/dbraw/zinc/63/99/60/621639960.db2.gz AXBNFMOACGVLGA-WPRPVWTQSA-N 1 0 307.287 3.248 20 10 DGCDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756496426 621641952 /nfs/dbraw/zinc/64/19/52/621641952.db2.gz HKXQPQACAUMWPP-CMPLNLGQSA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1O ZINC000756503958 621642857 /nfs/dbraw/zinc/64/28/57/621642857.db2.gz RHWZAYAHJMMYFG-KOLCDFICSA-N 1 0 322.758 3.333 20 10 DGCDRO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756533660 621645450 /nfs/dbraw/zinc/64/54/50/621645450.db2.gz GDJPSQLEHIDKOA-GFCCVEGCSA-N 1 0 304.365 3.403 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000756539954 621646454 /nfs/dbraw/zinc/64/64/54/621646454.db2.gz YBFUQFLFHZCXED-NSHDSACASA-N 1 0 313.323 3.310 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756547681 621646991 /nfs/dbraw/zinc/64/69/91/621646991.db2.gz GFLUYATTWWXVJS-XPKDYRNWSA-N 1 0 315.388 3.273 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000756556917 621648704 /nfs/dbraw/zinc/64/87/04/621648704.db2.gz XROPAQCIIFPGCY-KSSFIOAISA-N 1 0 314.473 3.406 20 10 DGCDRO CCc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)[nH]n1 ZINC000756571888 621650280 /nfs/dbraw/zinc/65/02/80/621650280.db2.gz GUSYUFIBAHIRLP-SECBINFHSA-N 1 0 324.222 3.291 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756586270 621651201 /nfs/dbraw/zinc/65/12/01/621651201.db2.gz QDPRQKHYKWTPDS-INWMFGNUSA-N 1 0 315.388 3.273 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c2c1c(F)ccc2O ZINC000756588145 621651246 /nfs/dbraw/zinc/65/12/46/621651246.db2.gz FLJJDNGVAYIDMZ-XYQMPLONSA-N 1 0 313.438 3.216 20 10 DGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)C(C)C ZINC000756628568 621654207 /nfs/dbraw/zinc/65/42/07/621654207.db2.gz WISXNNGTXOWHFM-HZMBPMFUSA-N 1 0 316.239 3.476 20 10 DGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756663115 621657134 /nfs/dbraw/zinc/65/71/34/621657134.db2.gz GQGDRAGILAURAR-CYBMUJFWSA-N 1 0 317.433 3.164 20 10 DGCDRO CCOc1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)ccc1O ZINC000756683358 621658281 /nfs/dbraw/zinc/65/82/81/621658281.db2.gz MJPFNHYMVSOUSU-GFCCVEGCSA-N 1 0 317.385 3.356 20 10 DGCDRO CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000756708341 621659730 /nfs/dbraw/zinc/65/97/30/621659730.db2.gz OSYUBZVSQCOBSV-GFCCVEGCSA-N 1 0 324.396 3.191 20 10 DGCDRO C[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)CC1(C)COC1 ZINC000863299261 621661578 /nfs/dbraw/zinc/66/15/78/621661578.db2.gz ZAQARKZBPAURBA-UHFFFAOYSA-N 1 0 315.413 3.486 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c(O)c1 ZINC000756741119 621661881 /nfs/dbraw/zinc/66/18/81/621661881.db2.gz CYJMCDSHRHVSPC-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c(O)c1 ZINC000756742135 621661953 /nfs/dbraw/zinc/66/19/53/621661953.db2.gz ZJMHBJHTSLYUFN-ZBEGNZNMSA-N 1 0 307.340 3.363 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c(O)c1 ZINC000756762902 621662787 /nfs/dbraw/zinc/66/27/87/621662787.db2.gz SUGFQHGOPRNYFL-RHSMWYFYSA-N 1 0 316.445 3.285 20 10 DGCDRO Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)[nH]n1 ZINC000756764330 621662821 /nfs/dbraw/zinc/66/28/21/621662821.db2.gz GGSHYFICUVYOAF-BFVZDQMLSA-N 1 0 303.381 3.332 20 10 DGCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000756775749 621663722 /nfs/dbraw/zinc/66/37/22/621663722.db2.gz SLNVGFYXALSTJA-JLZZUVOBSA-N 1 0 312.413 3.111 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)c2c1c(F)ccc2O ZINC000756785955 621664236 /nfs/dbraw/zinc/66/42/36/621664236.db2.gz HCVLLGGNJFRMRW-YRGRVCCFSA-N 1 0 321.392 3.355 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000756887134 621670249 /nfs/dbraw/zinc/67/02/49/621670249.db2.gz MWMNGURSNYHQMX-XJKSGUPXSA-N 1 0 319.445 3.396 20 10 DGCDRO CN(C)c1ccc(/C=C/CNc2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000863649826 621693349 /nfs/dbraw/zinc/69/33/49/621693349.db2.gz JAHUTLLSMPFWSY-ONEGZZNKSA-N 1 0 323.440 3.360 20 10 DGCDRO CC(C)OCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000757978820 621750681 /nfs/dbraw/zinc/75/06/81/621750681.db2.gz VZMWYVJUDQLXJR-UHFFFAOYSA-N 1 0 321.421 3.100 20 10 DGCDRO CCOc1cccc(C[NH2+]CCC2CCC(OC)CC2)c1O ZINC000757985162 621751181 /nfs/dbraw/zinc/75/11/81/621751181.db2.gz LUYWFYCWZVMIIH-UHFFFAOYSA-N 1 0 307.434 3.476 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000758602589 621791377 /nfs/dbraw/zinc/79/13/77/621791377.db2.gz MSZIOPLQRVVVFR-UXHICEINSA-N 1 0 309.457 3.288 20 10 DGCDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000789587533 625530244 /nfs/dbraw/zinc/53/02/44/625530244.db2.gz YOYKHIJIIGMRQA-IKGGRYGDSA-N 1 0 302.462 3.390 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)CC2(C)OCCO2)c(Cl)c1 ZINC000865672436 621975706 /nfs/dbraw/zinc/97/57/06/621975706.db2.gz KFWKMCQSDFEVLY-GFCCVEGCSA-N 1 0 313.825 3.233 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC[C@H](O)C(F)F ZINC000865688645 621977873 /nfs/dbraw/zinc/97/78/73/621977873.db2.gz IZJUMGPYIVEKSZ-INIZCTEOSA-N 1 0 307.340 3.165 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCC[C@@H]2O)cc1 ZINC000865736286 621986332 /nfs/dbraw/zinc/98/63/32/621986332.db2.gz AHHCDUUHDNCZST-ROUUACIJSA-N 1 0 316.470 3.388 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)ccc1OC ZINC000865754567 621988750 /nfs/dbraw/zinc/98/87/50/621988750.db2.gz WVUNDCFIJDNOQD-CHWSQXEVSA-N 1 0 303.324 3.272 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000865762108 621990614 /nfs/dbraw/zinc/99/06/14/621990614.db2.gz LOYOUPYKIRHCIA-KBXCAEBGSA-N 1 0 305.418 3.086 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2cccc(O)c2)c1O ZINC000761185786 621992771 /nfs/dbraw/zinc/99/27/71/621992771.db2.gz XFBFYMWBFSSJRS-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1O ZINC000761203202 621993629 /nfs/dbraw/zinc/99/36/29/621993629.db2.gz KWYNMPPILHLFIQ-SMDDNHRTSA-N 1 0 311.809 3.055 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCC23CCOCC3)c(O)c1 ZINC000865778348 621993646 /nfs/dbraw/zinc/99/36/46/621993646.db2.gz IHFWHEAFVXAMQJ-HNNXBMFYSA-N 1 0 305.418 3.087 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCC23CCOCC3)c1O ZINC000865778230 621993696 /nfs/dbraw/zinc/99/36/96/621993696.db2.gz HNIHNZXNAQNYMM-HNNXBMFYSA-N 1 0 305.418 3.087 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)c2ccnn2C)c(O)c(C(C)(C)C)c1 ZINC000865837512 622004632 /nfs/dbraw/zinc/00/46/32/622004632.db2.gz HIFZWJQYZRVINS-GFCCVEGCSA-N 1 0 317.433 3.283 20 10 DGCDRO COc1cc(C[NH2+][C@]23CCC[C@H]2OCC3)c(O)c(C(C)(C)C)c1 ZINC000865857309 622009480 /nfs/dbraw/zinc/00/94/80/622009480.db2.gz PIFWWXZGMKBQIH-APWZRJJASA-N 1 0 319.445 3.500 20 10 DGCDRO c1cnc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000866241172 622074110 /nfs/dbraw/zinc/07/41/10/622074110.db2.gz XTWGVLWDVMRLGT-FQEVSTJZSA-N 1 0 323.440 3.085 20 10 DGCDRO CC[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000866437761 622118203 /nfs/dbraw/zinc/11/82/03/622118203.db2.gz NWNNZUOCHYFLER-HNNXBMFYSA-N 1 0 323.433 3.100 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000866465210 622122973 /nfs/dbraw/zinc/12/29/73/622122973.db2.gz PQIQMOAMOVPCGM-MJVIPROJSA-N 1 0 304.356 3.105 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1O ZINC000866513113 622130212 /nfs/dbraw/zinc/13/02/12/622130212.db2.gz RMRFDZGQLKTSMK-QEORTHHSSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000866512459 622130363 /nfs/dbraw/zinc/13/03/63/622130363.db2.gz KWNRVTUPUFCJBF-WPKBUWHJSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c1 ZINC000866529888 622132173 /nfs/dbraw/zinc/13/21/73/622132173.db2.gz TVLCMASUVVZODM-ZIAGYGMSSA-N 1 0 305.418 3.258 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c1O ZINC000866532054 622133210 /nfs/dbraw/zinc/13/32/10/622133210.db2.gz VIMOAZVPLXUPSY-KBPBESRZSA-N 1 0 305.418 3.258 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccccc1O ZINC000866533741 622133941 /nfs/dbraw/zinc/13/39/41/622133941.db2.gz VAHWVORBKSNPDO-HOCLYGCPSA-N 1 0 305.418 3.019 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2c3ccccc3CN2C)c1O ZINC000866561900 622138188 /nfs/dbraw/zinc/13/81/88/622138188.db2.gz AYTSOBBOVGTRFV-GUYCJALGSA-N 1 0 312.413 3.238 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000763453376 622146586 /nfs/dbraw/zinc/14/65/86/622146586.db2.gz RLOGVCJDRKHPLY-PKOBYXMFSA-N 1 0 315.388 3.096 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccnn1C ZINC000866612649 622147312 /nfs/dbraw/zinc/14/73/12/622147312.db2.gz AVLDQCVCPIHVNM-UWVGGRQHSA-N 1 0 324.222 3.300 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1O ZINC000763480560 622147450 /nfs/dbraw/zinc/14/74/50/622147450.db2.gz NYEGESAOXIUJLU-ZDUSSCGKSA-N 1 0 319.788 3.017 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@]2(OC)CCOC2)cc1 ZINC000763480959 622147694 /nfs/dbraw/zinc/14/76/94/622147694.db2.gz QEIDEMFYJZUENX-LJQANCHMSA-N 1 0 320.477 3.208 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1 ZINC000763533067 622150676 /nfs/dbraw/zinc/15/06/76/622150676.db2.gz YYADCPKSIFBOFW-WMLDXEAASA-N 1 0 307.434 3.474 20 10 DGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000866634206 622150737 /nfs/dbraw/zinc/15/07/37/622150737.db2.gz BYSATZOLZVAMKV-CKYFFXLPSA-N 1 0 316.239 3.355 20 10 DGCDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000763646846 622156558 /nfs/dbraw/zinc/15/65/58/622156558.db2.gz KUJQYLRPJYZVEN-OAHLLOKOSA-N 1 0 318.436 3.427 20 10 DGCDRO Oc1ccccc1C[N@@H+](C[C@H](O)C(F)(F)F)C1CCCC1 ZINC000763834286 622164343 /nfs/dbraw/zinc/16/43/43/622164343.db2.gz LBNRBBXAJDHYLS-AWEZNQCLSA-N 1 0 303.324 3.060 20 10 DGCDRO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1O ZINC000867982470 622200011 /nfs/dbraw/zinc/20/00/11/622200011.db2.gz BYYFJTDETUYHSF-AWEZNQCLSA-N 1 0 319.449 3.017 20 10 DGCDRO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1O ZINC000867982471 622200106 /nfs/dbraw/zinc/20/01/06/622200106.db2.gz BYYFJTDETUYHSF-CQSZACIVSA-N 1 0 319.449 3.017 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2nnc3ccccn32)cc1 ZINC000764640369 622209579 /nfs/dbraw/zinc/20/95/79/622209579.db2.gz RUAHVOOQSIUCLJ-HNNXBMFYSA-N 1 0 323.444 3.079 20 10 DGCDRO C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1O ZINC000868124267 622216172 /nfs/dbraw/zinc/21/61/72/622216172.db2.gz SAJTUHOFDNKDFN-ZDUSSCGKSA-N 1 0 319.449 3.015 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000764770794 622219197 /nfs/dbraw/zinc/21/91/97/622219197.db2.gz OKLBNEWGKKQGAO-SGTLLEGYSA-N 1 0 320.383 3.415 20 10 DGCDRO C[C@@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764949798 622235114 /nfs/dbraw/zinc/23/51/14/622235114.db2.gz NCRPNDZVCFRONX-BRWVUGGUSA-N 1 0 303.494 3.381 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000764967360 622236561 /nfs/dbraw/zinc/23/65/61/622236561.db2.gz UFAAJAPZCXMRRW-FHWLQOOXSA-N 1 0 301.478 3.420 20 10 DGCDRO C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765396979 622263004 /nfs/dbraw/zinc/26/30/04/622263004.db2.gz OVSUJAOHZQSXJN-HNNXBMFYSA-N 1 0 308.429 3.453 20 10 DGCDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000765931745 622295268 /nfs/dbraw/zinc/29/52/68/622295268.db2.gz QONMMXRUQZOBFM-BEFAXECRSA-N 1 0 302.462 3.489 20 10 DGCDRO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765946440 622295393 /nfs/dbraw/zinc/29/53/93/622295393.db2.gz RDZBUQFRGQNUED-OPAMFIHVSA-N 1 0 322.518 3.486 20 10 DGCDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000766215437 622313010 /nfs/dbraw/zinc/31/30/10/622313010.db2.gz ZYTGEGYGXGMUCE-QAPCUYQASA-N 1 0 302.462 3.438 20 10 DGCDRO CC[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000766440729 622330192 /nfs/dbraw/zinc/33/01/92/622330192.db2.gz YVBYIWHYBJKHKQ-ZWKOTPCHSA-N 1 0 321.534 3.231 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000766583958 622340305 /nfs/dbraw/zinc/34/03/05/622340305.db2.gz LTTCTHFPCFIHFI-ZRGWGRIASA-N 1 0 301.478 3.276 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000766583956 622340422 /nfs/dbraw/zinc/34/04/22/622340422.db2.gz LTTCTHFPCFIHFI-VCBZYWHSSA-N 1 0 301.478 3.276 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)c(O)c1 ZINC000767728493 622419237 /nfs/dbraw/zinc/41/92/37/622419237.db2.gz PWYUXCZHHPDDTO-UHFFFAOYSA-N 1 0 312.413 3.355 20 10 DGCDRO CC[N@@H+](Cc1cc(C)ccc1O)C[C@H]1COc2ccccc2O1 ZINC000768180583 622443480 /nfs/dbraw/zinc/44/34/80/622443480.db2.gz LVYKULFXWNWNER-INIZCTEOSA-N 1 0 313.397 3.363 20 10 DGCDRO CC1CCC([N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C2CC2)CC1 ZINC000768440466 622456030 /nfs/dbraw/zinc/45/60/30/622456030.db2.gz WMRNOYDZMWRCCB-WFZFXDGQSA-N 1 0 317.429 3.361 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]2CCCC[C@H]12 ZINC000768439147 622456104 /nfs/dbraw/zinc/45/61/04/622456104.db2.gz ILEWYCVLSXVEGR-BQUDOFGOSA-N 1 0 317.429 3.219 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1OC ZINC000768441541 622456439 /nfs/dbraw/zinc/45/64/39/622456439.db2.gz JKWHIROKAUQZAI-HNNXBMFYSA-N 1 0 314.385 3.142 20 10 DGCDRO CC(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768449280 622457019 /nfs/dbraw/zinc/45/70/19/622457019.db2.gz ZABGVBPIQVSICB-GUYCJALGSA-N 1 0 305.418 3.076 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](CC1CC1)C1CCCCC1)[C@@H](O)CO2 ZINC000768448558 622457034 /nfs/dbraw/zinc/45/70/34/622457034.db2.gz CVNSNVUDMHBIJF-SFHVURJKSA-N 1 0 317.429 3.363 20 10 DGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(C)cc2O)C1(C)C ZINC000768445644 622457044 /nfs/dbraw/zinc/45/70/44/622457044.db2.gz HXFALVAPFCUJGB-IAGOWNOFSA-N 1 0 307.434 3.345 20 10 DGCDRO COC(=O)[C@@H](C)C[N@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000768451287 622457531 /nfs/dbraw/zinc/45/75/31/622457531.db2.gz MIYZCPRBSDCXNL-ZDUSSCGKSA-N 1 0 317.429 3.045 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c(O)cc1C ZINC000768462957 622458286 /nfs/dbraw/zinc/45/82/86/622458286.db2.gz DEFVPYFZCKZRPP-MRXNPFEDSA-N 1 0 315.417 3.088 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCOC1 ZINC000768542184 622463550 /nfs/dbraw/zinc/46/35/50/622463550.db2.gz OHHMBKMNSDTTGB-HNNXBMFYSA-N 1 0 301.386 3.414 20 10 DGCDRO C[C@H]([NH2+]C1CC(C(F)F)C1)c1ccc(N2CCOCC2)cc1 ZINC000768687200 622471152 /nfs/dbraw/zinc/47/11/52/622471152.db2.gz LZKCAKLSJCPYBC-GRTSSRMGSA-N 1 0 310.388 3.218 20 10 DGCDRO CC[N@H+](CCc1ccccn1)Cc1ccc(N(C)C)c(F)c1 ZINC000769033285 622494011 /nfs/dbraw/zinc/49/40/11/622494011.db2.gz JXZPIUIADILKGV-UHFFFAOYSA-N 1 0 301.409 3.351 20 10 DGCDRO CCOc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)c(O)c1 ZINC000769207961 622507884 /nfs/dbraw/zinc/50/78/84/622507884.db2.gz GLLAEWHDXHFLLC-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CC(C)C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769403790 622525342 /nfs/dbraw/zinc/52/53/42/622525342.db2.gz WRLRICOHYXRHPI-GOSISDBHSA-N 1 0 302.462 3.391 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1C ZINC000769480442 622532548 /nfs/dbraw/zinc/53/25/48/622532548.db2.gz NSDPXYOXZNHPQV-UHFFFAOYSA-N 1 0 307.397 3.485 20 10 DGCDRO CCC[NH+](CCC)CCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871200872 622566400 /nfs/dbraw/zinc/56/64/00/622566400.db2.gz LDWZSYSVQRIVIO-UHFFFAOYSA-N 1 0 304.434 3.137 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccsc2)c2c1c(F)ccc2O ZINC000769990658 622586850 /nfs/dbraw/zinc/58/68/50/622586850.db2.gz VUEFMRMRDPGDHF-WQAKAFBOSA-N 1 0 307.390 3.464 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1F ZINC000770292660 622618974 /nfs/dbraw/zinc/61/89/74/622618974.db2.gz NWZRPDGJWHXJIU-CRAIPNDOSA-N 1 0 308.441 3.265 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000770377267 622627183 /nfs/dbraw/zinc/62/71/83/622627183.db2.gz ZDOVDLWKJIYLQG-GJZGRUSLSA-N 1 0 305.418 3.039 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)C[NH+](C)C)c(C)n1-c1ccccc1C ZINC000805427289 622738716 /nfs/dbraw/zinc/73/87/16/622738716.db2.gz UMAPUNRIVVIPQM-AWEZNQCLSA-N 1 0 313.445 3.082 20 10 DGCDRO CCn1c2ccccc2nc1-c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771512899 622769926 /nfs/dbraw/zinc/76/99/26/622769926.db2.gz HMMBLQDKWIGKLB-UHFFFAOYSA-N 1 0 320.440 3.475 20 10 DGCDRO CCN(CCC[N@H+](C)Cc1ccccc1O)CC(F)(F)F ZINC000771762977 622794437 /nfs/dbraw/zinc/79/44/37/622794437.db2.gz RGHRGFBAEBJYLQ-UHFFFAOYSA-N 1 0 304.356 3.098 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCCOC1 ZINC000872083640 622795474 /nfs/dbraw/zinc/79/54/74/622795474.db2.gz CTPWDODFAMABKL-BXWFABGCSA-N 1 0 318.461 3.069 20 10 DGCDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc2c(cc1O)CCCC2 ZINC000872111647 622813923 /nfs/dbraw/zinc/81/39/23/622813923.db2.gz FLPQNRVPWWAUIA-ZIAGYGMSSA-N 1 0 317.429 3.265 20 10 DGCDRO CC[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Cl)ccc1O ZINC000872112895 622814961 /nfs/dbraw/zinc/81/49/61/622814961.db2.gz LQJFAVNQJDQHGC-RISCZKNCSA-N 1 0 311.809 3.430 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCCCCC[NH3+])c1[O-] ZINC000872154760 622835699 /nfs/dbraw/zinc/83/56/99/622835699.db2.gz AEJYDYIQKOWYKU-UHFFFAOYSA-N 1 0 312.841 3.199 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc[nH]1 ZINC000773115859 622986447 /nfs/dbraw/zinc/98/64/47/622986447.db2.gz AITPMOKSFVZDHK-UONOGXRCSA-N 1 0 317.408 3.402 20 10 DGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000773412989 623023991 /nfs/dbraw/zinc/02/39/91/623023991.db2.gz JFDBFWGITDPGJD-CYBMUJFWSA-N 1 0 318.461 3.054 20 10 DGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccon3)C2)cc1 ZINC000873064394 623028367 /nfs/dbraw/zinc/02/83/67/623028367.db2.gz WVVBZRBQHSRVTG-ZDUSSCGKSA-N 1 0 323.343 3.035 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CC(C)(C)CO2)ccc1OC ZINC000873156354 623054343 /nfs/dbraw/zinc/05/43/43/623054343.db2.gz SHMLNVUDYLDXCA-MRXNPFEDSA-N 1 0 307.434 3.136 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000773757967 623068918 /nfs/dbraw/zinc/06/89/18/623068918.db2.gz SPOUCSZEJCBGNZ-LSDHHAIUSA-N 1 0 316.367 3.030 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc(F)cc(F)c1[O-] ZINC000873235886 623087010 /nfs/dbraw/zinc/08/70/10/623087010.db2.gz RVOABFKLECNQSU-LLVKDONJSA-N 1 0 318.367 3.167 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCC(C)CC1 ZINC000774483377 623151308 /nfs/dbraw/zinc/15/13/08/623151308.db2.gz KEFFLRHSIQTKHT-HOTGVXAUSA-N 1 0 317.477 3.050 20 10 DGCDRO Cc1cc(Br)cc(CN2C[C@@H](C)OC[C@@H]2C)c1O ZINC000124542448 623155830 /nfs/dbraw/zinc/15/58/30/623155830.db2.gz NRYGLPVKANIVOX-WDEREUQCSA-N 1 0 314.223 3.072 20 10 DGCDRO COc1c([O-])c(C[N@H+](C2CC2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000774836786 623197324 /nfs/dbraw/zinc/19/73/24/623197324.db2.gz VUIQNRPPKPRAED-UHFFFAOYSA-N 1 0 306.362 3.216 20 10 DGCDRO CCCN(Cc1c(O)cccc1OC)c1ccc(C[NH3+])cc1 ZINC000775141141 623234632 /nfs/dbraw/zinc/23/46/32/623234632.db2.gz XMSJGIMNASMCDD-UHFFFAOYSA-N 1 0 300.402 3.276 20 10 DGCDRO CCCN(Cc1ccc(N(C)CC)nc1)c1ccc(C[NH3+])cc1 ZINC000775141033 623235138 /nfs/dbraw/zinc/23/51/38/623235138.db2.gz UWIUPOAHRQYYLP-UHFFFAOYSA-N 1 0 312.461 3.413 20 10 DGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000775178231 623238398 /nfs/dbraw/zinc/23/83/98/623238398.db2.gz SLCFGXQOODFFHU-INIZCTEOSA-N 1 0 313.825 3.181 20 10 DGCDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000775185796 623239468 /nfs/dbraw/zinc/23/94/68/623239468.db2.gz WKJURRGHRZSJGB-KRWDZBQOSA-N 1 0 309.381 3.229 20 10 DGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000775199735 623240878 /nfs/dbraw/zinc/24/08/78/623240878.db2.gz GCBZIPHJYUCAAO-GOSISDBHSA-N 1 0 305.418 3.112 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000775370569 623261541 /nfs/dbraw/zinc/26/15/41/623261541.db2.gz WHBIZFJNEQRGAZ-VIFPVBQESA-N 1 0 308.359 3.221 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc(Cl)ccc1O ZINC000775482902 623278362 /nfs/dbraw/zinc/27/83/62/623278362.db2.gz GDZLGXWEOYWOIG-OAHLLOKOSA-N 1 0 318.804 3.385 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Cl)ccc1O ZINC000775487248 623278860 /nfs/dbraw/zinc/27/88/60/623278860.db2.gz LJQZLKGXMLIUMG-HNNXBMFYSA-N 1 0 318.804 3.385 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cc(Cl)ccc1O ZINC000775524532 623283868 /nfs/dbraw/zinc/28/38/68/623283868.db2.gz BKJSYWLGYAPUNR-GXTWGEPZSA-N 1 0 310.825 3.096 20 10 DGCDRO CC[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Cl)ccc1O ZINC000775525991 623284853 /nfs/dbraw/zinc/28/48/53/623284853.db2.gz YVXJOAHTFFCECV-OVGLSYRBSA-N 1 0 310.825 3.130 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O ZINC000775526083 623284914 /nfs/dbraw/zinc/28/49/14/623284914.db2.gz IXJXSBXHNBXLSR-JSGCOSHPSA-N 1 0 324.852 3.486 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)c1ccccc1O ZINC000775525838 623285222 /nfs/dbraw/zinc/28/52/22/623285222.db2.gz ODVWRKWAOUPCAZ-WMLDXEAASA-N 1 0 313.397 3.445 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1O ZINC000775659316 623307050 /nfs/dbraw/zinc/30/70/50/623307050.db2.gz VSAKJUWBQZSGKT-INIZCTEOSA-N 1 0 308.853 3.414 20 10 DGCDRO Cc1cc(CC[NH2+]Cc2csnn2)c(C)n1-c1ccccc1 ZINC000775823404 623337584 /nfs/dbraw/zinc/33/75/84/623337584.db2.gz QXURNCRHROTQBM-UHFFFAOYSA-N 1 0 312.442 3.278 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000775832067 623338675 /nfs/dbraw/zinc/33/86/75/623338675.db2.gz WYWODTPVPYUFQN-CYBMUJFWSA-N 1 0 315.392 3.181 20 10 DGCDRO C[C@H]1[C@H](C)[N@H+](Cc2ccc(N3CCCCC3)cc2)CCN1C ZINC000775986218 623361422 /nfs/dbraw/zinc/36/14/22/623361422.db2.gz PYYNKKTYMBBSCS-IRXDYDNUSA-N 1 0 301.478 3.201 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000776154577 623383878 /nfs/dbraw/zinc/38/38/78/623383878.db2.gz AQWAGEYOGKGVHZ-KZNAEPCWSA-N 1 0 302.462 3.354 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000776154578 623383958 /nfs/dbraw/zinc/38/39/58/623383958.db2.gz AQWAGEYOGKGVHZ-RCCFBDPRSA-N 1 0 302.462 3.354 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2nc(C)cs2)cc1OC ZINC000776162906 623386360 /nfs/dbraw/zinc/38/63/60/623386360.db2.gz NOGXXTPSVKZBRY-JTQLQIEISA-N 1 0 308.403 3.025 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC000776165419 623387136 /nfs/dbraw/zinc/38/71/36/623387136.db2.gz QQQGTHORBUNUHJ-ROUUACIJSA-N 1 0 302.462 3.498 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccc1N(C)C ZINC000776165477 623387309 /nfs/dbraw/zinc/38/73/09/623387309.db2.gz RCMWUXTUHJCPNL-CGTJXYLNSA-N 1 0 302.462 3.354 20 10 DGCDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000776175421 623390761 /nfs/dbraw/zinc/39/07/61/623390761.db2.gz ZHHSBBQIYRAUNE-ZDUSSCGKSA-N 1 0 302.393 3.318 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](c2cccnc2)C2CC2)cc1OC ZINC000776252410 623401638 /nfs/dbraw/zinc/40/16/38/623401638.db2.gz CPGWFLXYXPWIIZ-SFHVURJKSA-N 1 0 314.385 3.045 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC(C)(C)[C@H]2CCCCO2)cc1OC ZINC000776249759 623401784 /nfs/dbraw/zinc/40/17/84/623401784.db2.gz XHBFGPCDWPMYEA-QGZVFWFLSA-N 1 0 323.433 3.094 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)ccc1OC ZINC000776498522 623436291 /nfs/dbraw/zinc/43/62/91/623436291.db2.gz NJECHLZOUFWXLY-MORSLUCNSA-N 1 0 321.461 3.381 20 10 DGCDRO CC(C)COC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000776574082 623441898 /nfs/dbraw/zinc/44/18/98/623441898.db2.gz BTIRHHWORNJIIH-UHFFFAOYSA-N 1 0 318.461 3.308 20 10 DGCDRO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000776774211 623461652 /nfs/dbraw/zinc/46/16/52/623461652.db2.gz HWAOPSSVMWTVBO-UHFFFAOYSA-N 1 0 311.381 3.296 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2ccccc2O)C1 ZINC000776864624 623472538 /nfs/dbraw/zinc/47/25/38/623472538.db2.gz MIGNGHHZHWNFTG-KFWWJZLASA-N 1 0 320.433 3.300 20 10 DGCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(C)c2O)C1 ZINC000777221379 623506728 /nfs/dbraw/zinc/50/67/28/623506728.db2.gz GTCYRHHVFNBXOG-GOEBONIOSA-N 1 0 320.433 3.047 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c(O)c1 ZINC000777439504 623525509 /nfs/dbraw/zinc/52/55/09/623525509.db2.gz IYBBJJRKXGGHFF-KRWDZBQOSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cccc(C[N@@H+]2CCc3cc(OC)c(F)cc3C2)c1O ZINC000777440698 623525750 /nfs/dbraw/zinc/52/57/50/623525750.db2.gz RIDVYJXRVFAUAS-UHFFFAOYSA-N 1 0 317.360 3.107 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000777557891 623541909 /nfs/dbraw/zinc/54/19/09/623541909.db2.gz OHPQRLIQLJRMMF-FQEVSTJZSA-N 1 0 322.408 3.105 20 10 DGCDRO COCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CC[C@H](C)C1 ZINC000790478762 625659804 /nfs/dbraw/zinc/65/98/04/625659804.db2.gz LTIURTFCUZYHMG-ZFWWWQNUSA-N 1 0 323.433 3.046 20 10 DGCDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c(O)c1 ZINC000876512513 623631180 /nfs/dbraw/zinc/63/11/80/623631180.db2.gz QLKWRJYKJZRXEO-OAHLLOKOSA-N 1 0 322.412 3.474 20 10 DGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000876590749 623653343 /nfs/dbraw/zinc/65/33/43/623653343.db2.gz BHASQHDYPRSINU-UHFFFAOYSA-N 1 0 324.424 3.225 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000876652317 623670266 /nfs/dbraw/zinc/67/02/66/623670266.db2.gz ARNRBHGBRPSUFL-CQSZACIVSA-N 1 0 320.433 3.047 20 10 DGCDRO CCC[N@H+](Cc1cnc(CCOC)s1)Cc1ccccc1O ZINC000876654592 623671514 /nfs/dbraw/zinc/67/15/14/623671514.db2.gz KARITCYOPTUQRA-UHFFFAOYSA-N 1 0 320.458 3.450 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3Cc4ccccc4C3)cc2)CC1 ZINC000876695657 623684906 /nfs/dbraw/zinc/68/49/06/623684906.db2.gz DTRQMVBKKILOBG-UHFFFAOYSA-N 1 0 308.425 3.164 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000876719870 623688812 /nfs/dbraw/zinc/68/88/12/623688812.db2.gz XOFSQNWOFZYAGA-OAHLLOKOSA-N 1 0 318.461 3.075 20 10 DGCDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876751361 623696827 /nfs/dbraw/zinc/69/68/27/623696827.db2.gz XIBOHUAWBJPTGH-HZPDHXFCSA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(O)c1 ZINC000876790810 623706979 /nfs/dbraw/zinc/70/69/79/623706979.db2.gz YDHTUFIIDWQUGH-SFHVURJKSA-N 1 0 319.445 3.251 20 10 DGCDRO Cc1ccccc1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778995436 623717728 /nfs/dbraw/zinc/71/77/28/623717728.db2.gz RPDFUHKBULBORM-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO CN(Cc1cc(F)ccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778996707 623718479 /nfs/dbraw/zinc/71/84/79/623718479.db2.gz XSIZJXOWALBNIZ-GOSISDBHSA-N 1 0 314.404 3.238 20 10 DGCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000779000407 623719526 /nfs/dbraw/zinc/71/95/26/623719526.db2.gz VIIZHNZFPLBWCK-CKEIUWERSA-N 1 0 306.425 3.369 20 10 DGCDRO COCC1([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000779048689 623724715 /nfs/dbraw/zinc/72/47/15/623724715.db2.gz ZQCLCCNZONSGAR-SNVBAGLBSA-N 1 0 314.223 3.293 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(Cl)ccc1O ZINC000779067354 623726347 /nfs/dbraw/zinc/72/63/47/623726347.db2.gz VZBNVDPYQWIEHB-GXTWGEPZSA-N 1 0 305.809 3.298 20 10 DGCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3cc(F)ccc3O)c2c1 ZINC000779078322 623727764 /nfs/dbraw/zinc/72/77/64/623727764.db2.gz MDQVQLYBTNTQPD-UHFFFAOYSA-N 1 0 314.360 3.354 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(O)c1 ZINC000876888671 623737171 /nfs/dbraw/zinc/73/71/71/623737171.db2.gz UUYLFLOCJVUZHS-INIZCTEOSA-N 1 0 300.402 3.220 20 10 DGCDRO CN(C)CC[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC000779171728 623738433 /nfs/dbraw/zinc/73/84/33/623738433.db2.gz MLHLTXJALNVXLH-UHFFFAOYSA-N 1 0 307.457 3.198 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1F ZINC000779188241 623739930 /nfs/dbraw/zinc/73/99/30/623739930.db2.gz IWPWAOLDDVNKGL-INIZCTEOSA-N 1 0 306.425 3.283 20 10 DGCDRO COCCOc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876941268 623750596 /nfs/dbraw/zinc/75/05/96/623750596.db2.gz CRRMSISCBJBWAN-UHFFFAOYSA-N 1 0 301.386 3.016 20 10 DGCDRO COc1cccc(N2CC[C@H]([NH2+]Cc3ccc(C)cc3O)C2)c1 ZINC000877005264 623764554 /nfs/dbraw/zinc/76/45/54/623764554.db2.gz QJSLGJGAEHKZOD-INIZCTEOSA-N 1 0 312.413 3.078 20 10 DGCDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCSc2nccs2)cc1 ZINC000877061353 623779402 /nfs/dbraw/zinc/77/94/02/623779402.db2.gz FPKDLSDZUWQNHE-UHFFFAOYSA-N 1 0 323.443 3.366 20 10 DGCDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877077199 623785790 /nfs/dbraw/zinc/78/57/90/623785790.db2.gz ZDILMFTUEVTDII-HUUCEWRRSA-N 1 0 302.462 3.172 20 10 DGCDRO COCCOc1cc(C)ccc1C[NH2+]Cc1ccc(C)cc1O ZINC000877109460 623792341 /nfs/dbraw/zinc/79/23/41/623792341.db2.gz LSDZSQHKQSFWNL-UHFFFAOYSA-N 1 0 315.413 3.324 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000877122415 623795836 /nfs/dbraw/zinc/79/58/36/623795836.db2.gz SUZVBWDGHSADEF-ASSNKEHSSA-N 1 0 303.427 3.289 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CCc1nc2c(cccc2F)n1C ZINC000877149990 623808662 /nfs/dbraw/zinc/80/86/62/623808662.db2.gz JAZGEEDMALYDEQ-UHFFFAOYSA-N 1 0 313.376 3.059 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC000877163940 623811836 /nfs/dbraw/zinc/81/18/36/623811836.db2.gz WXFCHJZDCLJQRK-HNNXBMFYSA-N 1 0 320.433 3.094 20 10 DGCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877173971 623817372 /nfs/dbraw/zinc/81/73/72/623817372.db2.gz NCFKMYYAZWTAAZ-HNNXBMFYSA-N 1 0 305.418 3.112 20 10 DGCDRO COC(=O)c1csc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000877416457 623874556 /nfs/dbraw/zinc/87/45/56/623874556.db2.gz NAXGKIKQXHZNCQ-LBPRGKRZSA-N 1 0 318.442 3.452 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000877476512 623900620 /nfs/dbraw/zinc/90/06/20/623900620.db2.gz GJNGSYMHHCWZQS-MJGOQNOKSA-N 1 0 315.388 3.096 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c(O)c1 ZINC000877482455 623904638 /nfs/dbraw/zinc/90/46/38/623904638.db2.gz JBZFPTYPSUVLAN-MRXNPFEDSA-N 1 0 309.768 3.316 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)cc1C ZINC000877527630 623924668 /nfs/dbraw/zinc/92/46/68/623924668.db2.gz UFARJZXNJIIDPW-AWEZNQCLSA-N 1 0 305.340 3.187 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)ccc2N(C)C)c1 ZINC000877534061 623928856 /nfs/dbraw/zinc/92/88/56/623928856.db2.gz WMWCYSRRAPNGPY-LBPRGKRZSA-N 1 0 318.392 3.457 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000877538758 623932726 /nfs/dbraw/zinc/93/27/26/623932726.db2.gz DFFCNUZKPWLVOR-QGZVFWFLSA-N 1 0 303.427 3.340 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C ZINC000877557919 623939954 /nfs/dbraw/zinc/93/99/54/623939954.db2.gz YZDNYORRPQMIEA-CQSZACIVSA-N 1 0 322.449 3.484 20 10 DGCDRO Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(O)c1 ZINC000877561101 623941535 /nfs/dbraw/zinc/94/15/35/623941535.db2.gz HQHNCZYQKWJLJO-PKOBYXMFSA-N 1 0 315.388 3.001 20 10 DGCDRO CCC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877561653 623942142 /nfs/dbraw/zinc/94/21/42/623942142.db2.gz ITWYAWLVDQUCST-UHFFFAOYSA-N 1 0 302.462 3.460 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000877562213 623942233 /nfs/dbraw/zinc/94/22/33/623942233.db2.gz XFTMYGILLVNLQX-OLZOCXBDSA-N 1 0 308.422 3.092 20 10 DGCDRO CCOc1cccc(C[N@H+](CCO)Cc2ccc(C)cc2O)c1 ZINC000877576927 623949681 /nfs/dbraw/zinc/94/96/81/623949681.db2.gz RIGLRJDDULXIOU-UHFFFAOYSA-N 1 0 315.413 3.094 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000877589937 623953392 /nfs/dbraw/zinc/95/33/92/623953392.db2.gz UEHMUSXCDJLBCH-FQEVSTJZSA-N 1 0 323.392 3.311 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(Cl)nn1 ZINC000877591753 623954749 /nfs/dbraw/zinc/95/47/49/623954749.db2.gz HWGUYRNQCYIEFY-CYBMUJFWSA-N 1 0 318.852 3.225 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000877597360 623956583 /nfs/dbraw/zinc/95/65/83/623956583.db2.gz IYIHMHSEQCBYAJ-HZPDHXFCSA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000877608480 623960169 /nfs/dbraw/zinc/96/01/69/623960169.db2.gz RFZNXWGDIRWQSD-UONOGXRCSA-N 1 0 305.418 3.301 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CC3(Cl)Cl)C2)cc1 ZINC000877621390 623965560 /nfs/dbraw/zinc/96/55/60/623965560.db2.gz VUUNGCRTIVCYJU-NWDGAFQWSA-N 1 0 315.244 3.057 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645245 623976652 /nfs/dbraw/zinc/97/66/52/623976652.db2.gz FRZGYXDBXWMHPX-MRXNPFEDSA-N 1 0 318.804 3.232 20 10 DGCDRO COC(=O)c1oc(C[NH2+]Cc2cc(Cl)cc(C)c2O)cc1C ZINC000877693141 623993888 /nfs/dbraw/zinc/99/38/88/623993888.db2.gz CHKJSMRUXSYXNO-UHFFFAOYSA-N 1 0 323.776 3.332 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C[C@H](C)C(=O)OC)C2CC2)cc1 ZINC000780892792 623994192 /nfs/dbraw/zinc/99/41/92/623994192.db2.gz KDVSHGZZYSWKIU-HNNXBMFYSA-N 1 0 318.461 3.306 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)[C@H]2CCCCO2)c1O ZINC000877702622 623997808 /nfs/dbraw/zinc/99/78/08/623997808.db2.gz VNLAESFMCGMWIY-CQSZACIVSA-N 1 0 313.825 3.492 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1O ZINC000790737617 625691359 /nfs/dbraw/zinc/69/13/59/625691359.db2.gz NTIHRCKCZCIVIQ-JSGCOSHPSA-N 1 0 321.367 3.172 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000877730174 624006718 /nfs/dbraw/zinc/00/67/18/624006718.db2.gz OXSDPEYTPYFHMY-HKUYNNGSSA-N 1 0 302.462 3.213 20 10 DGCDRO CC(C)[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000877750730 624018687 /nfs/dbraw/zinc/01/86/87/624018687.db2.gz KQNZZRICSSPWEN-LIXSYLKWSA-N 1 0 301.478 3.038 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)cc1 ZINC000877762843 624027113 /nfs/dbraw/zinc/02/71/13/624027113.db2.gz KZWDVSIIAWYPGB-IBGZPJMESA-N 1 0 322.456 3.132 20 10 DGCDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877819965 624050211 /nfs/dbraw/zinc/05/02/11/624050211.db2.gz BUMSSHICAIZYNI-GFCCVEGCSA-N 1 0 311.809 3.211 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c(O)c1 ZINC000877820321 624050976 /nfs/dbraw/zinc/05/09/76/624050976.db2.gz HDYSWXFOJDGFGE-FZMZJTMJSA-N 1 0 303.324 3.242 20 10 DGCDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877819967 624051533 /nfs/dbraw/zinc/05/15/33/624051533.db2.gz BUMSSHICAIZYNI-LBPRGKRZSA-N 1 0 311.809 3.211 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000877823613 624056640 /nfs/dbraw/zinc/05/66/40/624056640.db2.gz XLPYIQITJYACPJ-FZMZJTMJSA-N 1 0 317.351 3.496 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c(O)c(C(C)(C)C)c1 ZINC000877836835 624065153 /nfs/dbraw/zinc/06/51/53/624065153.db2.gz MRFIFWZIAQYRLV-CQSZACIVSA-N 1 0 321.461 3.291 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCSC[C@@H]2C)c1 ZINC000781907897 624169553 /nfs/dbraw/zinc/16/95/53/624169553.db2.gz HEXBMYAEHSWMPK-JTQLQIEISA-N 1 0 316.264 3.400 20 10 DGCDRO CO[C@H]1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)C1 ZINC000878240207 624224374 /nfs/dbraw/zinc/22/43/74/624224374.db2.gz FAFUZUSLZCYWQO-KDYLLFBJSA-N 1 0 301.386 3.412 20 10 DGCDRO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C[C@H](C)OC ZINC000782462556 624254365 /nfs/dbraw/zinc/25/43/65/624254365.db2.gz DDPRSMUCKJJBBW-INIZCTEOSA-N 1 0 320.477 3.159 20 10 DGCDRO CC(C)C(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000782535580 624261165 /nfs/dbraw/zinc/26/11/65/624261165.db2.gz QPGIQPBUXLSAMR-UHFFFAOYSA-N 1 0 308.441 3.434 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CCCC1 ZINC000783229856 624327494 /nfs/dbraw/zinc/32/74/94/624327494.db2.gz JAPCDMJMCPVHMD-SFHVURJKSA-N 1 0 302.462 3.364 20 10 DGCDRO CC[C@@H]([NH2+]CC1(O)CCC1)c1cc(Br)ccc1O ZINC000127354239 624363402 /nfs/dbraw/zinc/36/34/02/624363402.db2.gz UCUSKPYCAPVJPW-GFCCVEGCSA-N 1 0 314.223 3.110 20 10 DGCDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000783717093 624387153 /nfs/dbraw/zinc/38/71/53/624387153.db2.gz HWSJIEVPCZGXIW-CYBMUJFWSA-N 1 0 307.287 3.075 20 10 DGCDRO Cc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)cc1 ZINC000784025011 624423695 /nfs/dbraw/zinc/42/36/95/624423695.db2.gz JBGHRUOABLOCOI-OAHLLOKOSA-N 1 0 311.381 3.419 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000784625769 624560295 /nfs/dbraw/zinc/56/02/95/624560295.db2.gz NZVBCRJRYZDTKL-MRXNPFEDSA-N 1 0 303.402 3.334 20 10 DGCDRO Fc1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1F ZINC000784631285 624562663 /nfs/dbraw/zinc/56/26/63/624562663.db2.gz UHGZDUMYDLYQHT-UHFFFAOYSA-N 1 0 307.315 3.371 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N1CCc2ccccc21 ZINC000879648988 624622585 /nfs/dbraw/zinc/62/25/85/624622585.db2.gz IPNWASAOSJRRLV-ZIAGYGMSSA-N 1 0 310.397 3.021 20 10 DGCDRO C[C@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1ccccc1O ZINC000879650267 624622923 /nfs/dbraw/zinc/62/29/23/624622923.db2.gz SMYDDFCCXJTVGD-NSHDSACASA-N 1 0 314.414 3.100 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1O ZINC000879650581 624624190 /nfs/dbraw/zinc/62/41/90/624624190.db2.gz IFGVGXHQCLTLMR-GJZGRUSLSA-N 1 0 318.461 3.328 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC1CCC(C)CC1 ZINC000879652011 624624263 /nfs/dbraw/zinc/62/42/63/624624263.db2.gz TXJZJNACSMVBOR-GQKFXUNGSA-N 1 0 304.434 3.126 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1cccnc1Cl ZINC000879651114 624624575 /nfs/dbraw/zinc/62/45/75/624624575.db2.gz IVAAZCJIEBKTRI-WDEREUQCSA-N 1 0 319.792 3.118 20 10 DGCDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879652021 624626405 /nfs/dbraw/zinc/62/64/05/624626405.db2.gz UCFNYDQDEGDIJY-LSDHHAIUSA-N 1 0 312.413 3.056 20 10 DGCDRO COC1CCN(c2ccc(C[NH+]3CCC(F)CC3)cc2)CC1 ZINC000880239962 624863575 /nfs/dbraw/zinc/86/35/75/624863575.db2.gz UNVMHOJYDJNLSH-UHFFFAOYSA-N 1 0 306.425 3.236 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1O ZINC000880316819 624914330 /nfs/dbraw/zinc/91/43/30/624914330.db2.gz HTDDWQIXSQQIIT-LLVKDONJSA-N 1 0 320.389 3.180 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2cccc3cc[nH]c32)cc1OC ZINC000786578100 624924844 /nfs/dbraw/zinc/92/48/44/624924844.db2.gz HIISTQWHHZHYQP-UHFFFAOYSA-N 1 0 312.369 3.181 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)c1 ZINC000786861288 624959396 /nfs/dbraw/zinc/95/93/96/624959396.db2.gz UIMNOVUOKUGHEF-SCLBCKFNSA-N 1 0 301.386 3.267 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000128471598 624969087 /nfs/dbraw/zinc/96/90/87/624969087.db2.gz DMLBVXQQEWIIET-OAHLLOKOSA-N 1 0 320.433 3.142 20 10 DGCDRO COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)ccn1 ZINC000788585881 625221551 /nfs/dbraw/zinc/22/15/51/625221551.db2.gz XGRVHMDHFSSYOC-AWEZNQCLSA-N 1 0 311.429 3.323 20 10 DGCDRO CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000788618443 625229489 /nfs/dbraw/zinc/22/94/89/625229489.db2.gz FWVJJAQTEDPKMD-DZKIICNBSA-N 1 0 313.825 3.280 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000788783706 625265113 /nfs/dbraw/zinc/26/51/13/625265113.db2.gz NSFRFCACQFUTFO-DLBZAZTESA-N 1 0 320.477 3.161 20 10 DGCDRO CC1CC[NH+](CCC[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790946664 625720338 /nfs/dbraw/zinc/72/03/38/625720338.db2.gz FVFBOYRHTJPLCF-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO Oc1ccc(Cl)c(F)c1CNc1cnn(-c2cc[nH+]cc2)c1 ZINC000790955154 625721847 /nfs/dbraw/zinc/72/18/47/625721847.db2.gz KPMWHMVYESVRQD-UHFFFAOYSA-N 1 0 318.739 3.378 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000790996639 625734720 /nfs/dbraw/zinc/73/47/20/625734720.db2.gz ZKOGFZVMMSYFBW-AWEZNQCLSA-N 1 0 305.418 3.372 20 10 DGCDRO CN1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@@H]1c1ccccc1 ZINC000883077305 625918565 /nfs/dbraw/zinc/91/85/65/625918565.db2.gz FOCHUTZDJPVNJB-SJORKVTESA-N 1 0 318.367 3.205 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@@H](C(=O)OC)C2)cc1F ZINC000792200034 625924259 /nfs/dbraw/zinc/92/42/59/625924259.db2.gz GJTHGSPQBIETRB-HUUCEWRRSA-N 1 0 322.424 3.103 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)OC)C2)cc1F ZINC000792200031 625924576 /nfs/dbraw/zinc/92/45/76/625924576.db2.gz GJTHGSPQBIETRB-CABCVRRESA-N 1 0 322.424 3.103 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@H](C(=O)OC)C2)cc1F ZINC000792200033 625924656 /nfs/dbraw/zinc/92/46/56/625924656.db2.gz GJTHGSPQBIETRB-GJZGRUSLSA-N 1 0 322.424 3.103 20 10 DGCDRO COCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CC[C@H](C)C1 ZINC000792465204 625947813 /nfs/dbraw/zinc/94/78/13/625947813.db2.gz LXSICOGRLVIKLE-BLLLJJGKSA-N 1 0 323.408 3.371 20 10 DGCDRO COCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796259279 626032964 /nfs/dbraw/zinc/03/29/64/626032964.db2.gz UAXIAVQZZQVADH-UHFFFAOYSA-N 1 0 310.441 3.375 20 10 DGCDRO CN1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796283445 626035144 /nfs/dbraw/zinc/03/51/44/626035144.db2.gz FZSIQAJCVACQOY-HXUWFJFHSA-N 1 0 321.468 3.043 20 10 DGCDRO C[C@H](O)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796308381 626037422 /nfs/dbraw/zinc/03/74/22/626037422.db2.gz QFUYPCBLHCUELR-INIZCTEOSA-N 1 0 310.441 3.110 20 10 DGCDRO C[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796311210 626037612 /nfs/dbraw/zinc/03/76/12/626037612.db2.gz VIKSWCHUANCCSH-MRXNPFEDSA-N 1 0 310.441 3.110 20 10 DGCDRO C[C@H](O)CCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796359605 626042408 /nfs/dbraw/zinc/04/24/08/626042408.db2.gz MNDQIDOWMNKURN-KRWDZBQOSA-N 1 0 324.468 3.500 20 10 DGCDRO CC(C)CC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000796448949 626050780 /nfs/dbraw/zinc/05/07/80/626050780.db2.gz KVEONPYLSXVPHK-ROUUACIJSA-N 1 0 321.461 3.170 20 10 DGCDRO CCOc1ccc(C[NH2+]C(C)(C)c2c(C)noc2C)c(O)c1 ZINC000796528096 626059317 /nfs/dbraw/zinc/05/93/17/626059317.db2.gz OVJSCSNAGYZARG-UHFFFAOYSA-N 1 0 304.390 3.421 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000797020634 626105035 /nfs/dbraw/zinc/10/50/35/626105035.db2.gz WMFNZMQCOSMQSU-KPZWWZAWSA-N 1 0 303.377 3.478 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cc(F)ccc1O ZINC000797130985 626116787 /nfs/dbraw/zinc/11/67/87/626116787.db2.gz CWRFVIHNFDSKAG-VERVWZFWSA-N 1 0 321.417 3.261 20 10 DGCDRO COc1cccc(O)c1CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000797889766 626177601 /nfs/dbraw/zinc/17/76/01/626177601.db2.gz DUNNITALRWIILL-INIZCTEOSA-N 1 0 318.461 3.288 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000798929841 626260303 /nfs/dbraw/zinc/26/03/03/626260303.db2.gz DFXWHWVGAKQBET-MRXNPFEDSA-N 1 0 317.360 3.326 20 10 DGCDRO Cc1ccncc1N1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000798962292 626262916 /nfs/dbraw/zinc/26/29/16/626262916.db2.gz OWIXJVOHFCJAKE-UHFFFAOYSA-N 1 0 311.429 3.035 20 10 DGCDRO COC(=O)CC1(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000799296222 626285059 /nfs/dbraw/zinc/28/50/59/626285059.db2.gz IEBYHUFKAUCWJT-UHFFFAOYSA-N 1 0 318.461 3.306 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c1 ZINC000799732428 626325874 /nfs/dbraw/zinc/32/58/74/626325874.db2.gz YOETUJGNJQBMAD-GOEBONIOSA-N 1 0 315.413 3.045 20 10 DGCDRO CC(C)OC[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000800223022 626342851 /nfs/dbraw/zinc/34/28/51/626342851.db2.gz OAJGIEDYOYGBJD-HNNXBMFYSA-N 1 0 308.491 3.143 20 10 DGCDRO C[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCOC3)cc2Cl)C1 ZINC000800275422 626346728 /nfs/dbraw/zinc/34/67/28/626346728.db2.gz CCKADQOTONICIZ-DZGCQCFKSA-N 1 0 308.853 3.455 20 10 DGCDRO COc1cccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1O ZINC000800287929 626348732 /nfs/dbraw/zinc/34/87/32/626348732.db2.gz CWWRPWGFLIBEBM-HNNXBMFYSA-N 1 0 303.789 3.311 20 10 DGCDRO FC1(F)CCC(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000800294056 626348951 /nfs/dbraw/zinc/34/89/51/626348951.db2.gz VCJGZQAMXHODKU-UHFFFAOYSA-N 1 0 324.415 3.438 20 10 DGCDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000800475431 626363794 /nfs/dbraw/zinc/36/37/94/626363794.db2.gz BTEQNFXBKCIUGH-LZQZEXGQSA-N 1 0 318.436 3.331 20 10 DGCDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808706194 626372955 /nfs/dbraw/zinc/37/29/55/626372955.db2.gz FBTFCXRAGGLLBK-VXGBXAGGSA-N 1 0 301.814 3.056 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1 ZINC000800897355 626383628 /nfs/dbraw/zinc/38/36/28/626383628.db2.gz XFHLDTHDIVHNDA-LJQANCHMSA-N 1 0 315.413 3.231 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)CCCC[NH+](C)C ZINC000801549627 626409541 /nfs/dbraw/zinc/40/95/41/626409541.db2.gz TXAHKHKBLRISGY-UHFFFAOYSA-N 1 0 306.450 3.253 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N(CC)CC ZINC000801599310 626411696 /nfs/dbraw/zinc/41/16/96/626411696.db2.gz JWCCXNSTWKPEIW-OAHLLOKOSA-N 1 0 306.450 3.251 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccccc2O)c(-c2cnn(C)c2)c1 ZINC000801720161 626416023 /nfs/dbraw/zinc/41/60/23/626416023.db2.gz PTMUTTHXJOUGFT-UHFFFAOYSA-N 1 0 307.397 3.391 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cc(F)ccc1O ZINC000883263075 626628500 /nfs/dbraw/zinc/62/85/00/626628500.db2.gz GEFWILZLKFFQBX-UKRRQHHQSA-N 1 0 323.408 3.158 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)cc1 ZINC000883275849 626632966 /nfs/dbraw/zinc/63/29/66/626632966.db2.gz BOULJYXMHITCQI-WBVHZDCISA-N 1 0 316.445 3.238 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCOC1 ZINC000883354562 626657959 /nfs/dbraw/zinc/65/79/59/626657959.db2.gz YCNQBCCHGDDQFC-WBMJQRKESA-N 1 0 312.404 3.326 20 10 DGCDRO CCCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131704634 626671377 /nfs/dbraw/zinc/67/13/77/626671377.db2.gz UMQQAMLCTDDCBK-INIZCTEOSA-N 1 0 317.477 3.023 20 10 DGCDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806133190 626701279 /nfs/dbraw/zinc/70/12/79/626701279.db2.gz IVNMGARXLRTJGY-RHSMWYFYSA-N 1 0 306.425 3.065 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000806141203 626701958 /nfs/dbraw/zinc/70/19/58/626701958.db2.gz QHADYTIHOYDHAE-DZGCQCFKSA-N 1 0 316.367 3.261 20 10 DGCDRO CCOC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000132469846 626720373 /nfs/dbraw/zinc/72/03/73/626720373.db2.gz UJNSBHYDEGNXSC-UHFFFAOYSA-N 1 0 314.223 3.156 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000132850960 626745756 /nfs/dbraw/zinc/74/57/56/626745756.db2.gz PQBXBQVXTIBHBI-CQSZACIVSA-N 1 0 321.465 3.318 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1O ZINC000840093909 626756007 /nfs/dbraw/zinc/75/60/07/626756007.db2.gz KOBZPAIBSHGUDW-INIZCTEOSA-N 1 0 305.418 3.100 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1C(C)C ZINC000840106379 626763553 /nfs/dbraw/zinc/76/35/53/626763553.db2.gz UCCBGAHUXLQLCJ-OAHLLOKOSA-N 1 0 320.433 3.097 20 10 DGCDRO CC[C@@H]1CCC[C@@]1(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010748 626788869 /nfs/dbraw/zinc/78/88/69/626788869.db2.gz KVPWUWRBAMTBAW-SZVBFZGTSA-N 1 0 317.477 3.085 20 10 DGCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc2c(cc1O)CCCC2 ZINC000808194785 626805530 /nfs/dbraw/zinc/80/55/30/626805530.db2.gz ZWXHNSVGTQFUBT-HNAYVOBHSA-N 1 0 314.473 3.330 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccccc2N(C)C)c1O ZINC000808235686 626807571 /nfs/dbraw/zinc/80/75/71/626807571.db2.gz ZMZQVVJFEBXBJS-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)c1O ZINC000808684427 626849180 /nfs/dbraw/zinc/84/91/80/626849180.db2.gz NVOXLMUEQPEZSH-GHMZBOCLSA-N 1 0 312.841 3.308 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c1O ZINC000808694053 626850050 /nfs/dbraw/zinc/85/00/50/626850050.db2.gz ZGSYAGLNRKKFDK-IUODEOHRSA-N 1 0 308.853 3.489 20 10 DGCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808712019 626852547 /nfs/dbraw/zinc/85/25/47/626852547.db2.gz YYHPTVFVDNUIRR-NSHDSACASA-N 1 0 312.841 3.167 20 10 DGCDRO OC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809543105 626917300 /nfs/dbraw/zinc/91/73/00/626917300.db2.gz KVOUNWRUIAGYBI-HXUWFJFHSA-N 1 0 322.452 3.206 20 10 DGCDRO CCCN(Cc1ncc(CN(C)C)s1)c1ccc(C[NH3+])cc1 ZINC000809654594 626933188 /nfs/dbraw/zinc/93/31/88/626933188.db2.gz IGGPOBGACDBEBX-UHFFFAOYSA-N 1 0 318.490 3.080 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CSC[C@H]2C)c1O ZINC000809702275 626938407 /nfs/dbraw/zinc/93/84/07/626938407.db2.gz FBYIFFQQPQROMP-BXKDBHETSA-N 1 0 316.264 3.304 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CSC[C@@H]2C)c1O ZINC000809702278 626938749 /nfs/dbraw/zinc/93/87/49/626938749.db2.gz FBYIFFQQPQROMP-JOYOIKCWSA-N 1 0 316.264 3.304 20 10 DGCDRO CO[C@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809718795 626941139 /nfs/dbraw/zinc/94/11/39/626941139.db2.gz YPFNVMSXBYRJHA-CQSZACIVSA-N 1 0 321.421 3.052 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2ccccc2)c1O ZINC000809722547 626941882 /nfs/dbraw/zinc/94/18/82/626941882.db2.gz BJYXCAGPBIZIRD-MRXNPFEDSA-N 1 0 305.805 3.047 20 10 DGCDRO COc1cccc(C[NH2+]C/C=C\c2ccc(F)cc2F)c1O ZINC000809740715 626944597 /nfs/dbraw/zinc/94/45/97/626944597.db2.gz BIDNWTBEKJDDJT-HYXAFXHYSA-N 1 0 305.324 3.482 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCN2CCC1CC2 ZINC000809743314 626944729 /nfs/dbraw/zinc/94/47/29/626944729.db2.gz WOWYIJKIUDUJPK-UHFFFAOYSA-N 1 0 308.425 3.339 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)cc1 ZINC000809765258 626949059 /nfs/dbraw/zinc/94/90/59/626949059.db2.gz NFCBPMJKIMVQMM-MRXNPFEDSA-N 1 0 317.477 3.023 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]CCc2cn[nH]c2)cc1 ZINC000810165905 626983735 /nfs/dbraw/zinc/98/37/35/626983735.db2.gz HANYNFKXCLNACM-UHFFFAOYSA-N 1 0 300.450 3.368 20 10 DGCDRO CC[C@H]([NH2+]CC[S@](=O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810218177 626988772 /nfs/dbraw/zinc/98/87/72/626988772.db2.gz PEWLDCLXCJBGIF-LAJNKCICSA-N 1 0 323.380 3.220 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810219973 626989445 /nfs/dbraw/zinc/98/94/45/626989445.db2.gz YYVMCDOHWBJIAN-JSGCOSHPSA-N 1 0 305.340 3.469 20 10 DGCDRO CC[C@H]([NH2+]CCc1nnc(C)s1)c1cc(Cl)ccc1O ZINC000810243565 626991626 /nfs/dbraw/zinc/99/16/26/626991626.db2.gz QFUDLXZTMNJMLI-LBPRGKRZSA-N 1 0 311.838 3.489 20 10 DGCDRO Cc1n[nH]c(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)c1C ZINC000886147633 627112591 /nfs/dbraw/zinc/11/25/91/627112591.db2.gz XQJPLYDVXRSAAK-CYBMUJFWSA-N 1 0 300.450 3.122 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000886318369 627136338 /nfs/dbraw/zinc/13/63/38/627136338.db2.gz RGPXFXQPWHZPEP-INIZCTEOSA-N 1 0 305.418 3.230 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](COC)[C@@H]2CCCOC2)cc1C ZINC000886355633 627141831 /nfs/dbraw/zinc/14/18/31/627141831.db2.gz LFNWIZYZGVCXGB-MSOLQXFVSA-N 1 0 321.461 3.315 20 10 DGCDRO CSC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CC[NH+](C)CC1 ZINC000886612189 627173049 /nfs/dbraw/zinc/17/30/49/627173049.db2.gz FKYAJRLIZKIRKP-GFCCVEGCSA-N 1 0 312.454 3.009 20 10 DGCDRO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886641529 627178636 /nfs/dbraw/zinc/17/86/36/627178636.db2.gz LTHFTVBAOIFQBF-GFCCVEGCSA-N 1 0 316.376 3.365 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccc(F)cc2)c(O)c1C ZINC000886676369 627187403 /nfs/dbraw/zinc/18/74/03/627187403.db2.gz GIMXWRALUSKWBX-WMLDXEAASA-N 1 0 317.404 3.402 20 10 DGCDRO CCCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747190 627198845 /nfs/dbraw/zinc/19/88/45/627198845.db2.gz NJOFUJQKCUDOIZ-OAHLLOKOSA-N 1 0 317.477 3.057 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(N(C)C)cc1 ZINC000886761981 627200972 /nfs/dbraw/zinc/20/09/72/627200972.db2.gz OJPOHXDGMJDQBL-WTLGNFPFSA-N 1 0 318.461 3.130 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1)c1ccccc1O ZINC000886764390 627201701 /nfs/dbraw/zinc/20/17/01/627201701.db2.gz RSPIALFMEBVIAU-OAOQPFQOSA-N 1 0 305.418 3.160 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c1 ZINC000886764668 627202080 /nfs/dbraw/zinc/20/20/80/627202080.db2.gz YBNQQCIFBCUFQV-LLDVTBCESA-N 1 0 305.418 3.078 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c(O)c1 ZINC000886772528 627203121 /nfs/dbraw/zinc/20/31/21/627203121.db2.gz ZVEKBLYLEWEAPL-SIBFUHKCSA-N 1 0 319.445 3.324 20 10 DGCDRO C[C@@H](CC[NH2+]Cc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000222088356 627234360 /nfs/dbraw/zinc/23/43/60/627234360.db2.gz CSGKYOQAIAVHQW-AWEZNQCLSA-N 1 0 321.465 3.146 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1F ZINC000811518808 627287046 /nfs/dbraw/zinc/28/70/46/627287046.db2.gz PDRVANVDLKJNCF-ZWKOTPCHSA-N 1 0 318.436 3.425 20 10 DGCDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000811520237 627287170 /nfs/dbraw/zinc/28/71/70/627287170.db2.gz LSVDZPDHLFZGBJ-GFCCVEGCSA-N 1 0 314.857 3.264 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(O)cc1C ZINC000811803837 627322707 /nfs/dbraw/zinc/32/27/07/627322707.db2.gz TVDVJMOYOTXOBP-AWEZNQCLSA-N 1 0 321.808 3.006 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000812294404 627368300 /nfs/dbraw/zinc/36/83/00/627368300.db2.gz MBIQBQJFVIZVJY-OAHLLOKOSA-N 1 0 315.417 3.039 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(N(C)C)cc1 ZINC000812736345 627414020 /nfs/dbraw/zinc/41/40/20/627414020.db2.gz BCIZOMVSSTUYMP-AWEZNQCLSA-N 1 0 308.429 3.490 20 10 DGCDRO COCC1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCOCC1 ZINC000813875667 627518255 /nfs/dbraw/zinc/51/82/55/627518255.db2.gz QRYJIAHRYGJOGJ-OCCSQVGLSA-N 1 0 323.408 3.112 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1(CO)CCC1 ZINC000814169601 627546097 /nfs/dbraw/zinc/54/60/97/627546097.db2.gz JWKNBEPTJGAMRY-QGZVFWFLSA-N 1 0 308.441 3.169 20 10 DGCDRO COCC[N@H+](Cc1ccco1)Cc1ccc(N(C)C)c(C)c1 ZINC000815016195 627617044 /nfs/dbraw/zinc/61/70/44/627617044.db2.gz ZEHVZSPRNSMSEQ-UHFFFAOYSA-N 1 0 302.418 3.303 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)ccc1N(C)C ZINC000815084315 627624205 /nfs/dbraw/zinc/62/42/05/627624205.db2.gz AWWVDCIFJLRERB-IBGZPJMESA-N 1 0 302.462 3.452 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCCC1 ZINC000815108766 627627752 /nfs/dbraw/zinc/62/77/52/627627752.db2.gz NGCHUFUHNRULBN-UHFFFAOYSA-N 1 0 304.434 3.027 20 10 DGCDRO Cc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1N(C)C ZINC000815118522 627629822 /nfs/dbraw/zinc/62/98/22/627629822.db2.gz WLGSIQPCIATWAS-WMZOPIPTSA-N 1 0 301.478 3.120 20 10 DGCDRO Cc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815119745 627630281 /nfs/dbraw/zinc/63/02/81/627630281.db2.gz GHQOGZRTALGZEF-ROUUACIJSA-N 1 0 302.462 3.450 20 10 DGCDRO CCN(C)c1ccc(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000815120665 627630954 /nfs/dbraw/zinc/63/09/54/627630954.db2.gz LQHAQDVPNWTBOC-QGZVFWFLSA-N 1 0 315.505 3.449 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1 ZINC000815148717 627637711 /nfs/dbraw/zinc/63/77/11/627637711.db2.gz HFBMRLKPVMLTSF-UHFFFAOYSA-N 1 0 310.319 3.447 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)cc1F ZINC000815159298 627639243 /nfs/dbraw/zinc/63/92/43/627639243.db2.gz PXOFOTGSFIZENF-KBXCAEBGSA-N 1 0 308.441 3.313 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1(Cl)CC1 ZINC000924709507 627671540 /nfs/dbraw/zinc/67/15/40/627671540.db2.gz XAUWRUWEGOLKBM-ZDUSSCGKSA-N 1 0 310.894 3.489 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC000815598321 627689713 /nfs/dbraw/zinc/68/97/13/627689713.db2.gz ROZNLAMJVIJVNS-TVQRCGJNSA-N 1 0 303.324 3.487 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598355 627689811 /nfs/dbraw/zinc/68/98/11/627689811.db2.gz SLMVEHWONKHMHN-MWLCHTKSSA-N 1 0 303.324 3.223 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598354 627689851 /nfs/dbraw/zinc/68/98/51/627689851.db2.gz SLMVEHWONKHMHN-KOLCDFICSA-N 1 0 303.324 3.223 20 10 DGCDRO COc1ccncc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815629237 627693001 /nfs/dbraw/zinc/69/30/01/627693001.db2.gz XSXQTWKWHNJKTA-ZWNOBZJWSA-N 1 0 302.349 3.273 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2O)[C@@H]1n1cccn1 ZINC000815659382 627695797 /nfs/dbraw/zinc/69/57/97/627695797.db2.gz AFYDAPWLTAHDGY-ONIAQPFYSA-N 1 0 315.417 3.048 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1[O-] ZINC000925779625 627793647 /nfs/dbraw/zinc/79/36/47/627793647.db2.gz YPOKQIRQSBSAOZ-ZWNOBZJWSA-N 1 0 318.795 3.331 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000925785883 627795638 /nfs/dbraw/zinc/79/56/38/627795638.db2.gz PTIUVMWUSHZJKW-UTLUCORTSA-N 1 0 303.233 3.205 20 10 DGCDRO CN(C)c1ccc(CN(Cc2cnn(C)c2Cl)C2CC2)cc1 ZINC000816484424 627796151 /nfs/dbraw/zinc/79/61/51/627796151.db2.gz BQZHPQZPBTWFKR-UHFFFAOYSA-N 1 0 318.852 3.304 20 10 DGCDRO COCCOC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816509344 627799399 /nfs/dbraw/zinc/79/93/99/627799399.db2.gz NEANAWPOCFOVNE-UHFFFAOYSA-N 1 0 315.413 3.173 20 10 DGCDRO Oc1c(C[NH2+]CCCOC[C@@H]2CCCO2)ccc2ccccc21 ZINC000816530620 627803612 /nfs/dbraw/zinc/80/36/12/627803612.db2.gz OQHLOLLYTMRVEQ-KRWDZBQOSA-N 1 0 315.413 3.221 20 10 DGCDRO Oc1c(C[NH2+]Cc2nccn2C(F)F)ccc2ccccc12 ZINC000816541502 627804119 /nfs/dbraw/zinc/80/41/19/627804119.db2.gz OCISZFYENDMGNW-UHFFFAOYSA-N 1 0 303.312 3.427 20 10 DGCDRO Oc1c(C[NH2+]CCOc2ncccc2F)ccc2ccccc21 ZINC000816558703 627807175 /nfs/dbraw/zinc/80/71/75/627807175.db2.gz JFDWJQJGJOIHIN-UHFFFAOYSA-N 1 0 312.344 3.248 20 10 DGCDRO COCCO[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816600414 627813371 /nfs/dbraw/zinc/81/33/71/627813371.db2.gz WEOWPGKJAXRDNU-QGZVFWFLSA-N 1 0 315.413 3.173 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c(O)c1 ZINC000816662773 627821450 /nfs/dbraw/zinc/82/14/50/627821450.db2.gz YEWHVRZLMVKERX-SFHVURJKSA-N 1 0 307.434 3.021 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)OCO2 ZINC000817365389 627889761 /nfs/dbraw/zinc/88/97/61/627889761.db2.gz OTDOCYIIBDDRRD-JTQLQIEISA-N 1 0 317.307 3.285 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CC23CCSCC3)c(O)c1 ZINC000817411409 627895713 /nfs/dbraw/zinc/89/57/13/627895713.db2.gz RDYCMNWJBOMUMF-AWEZNQCLSA-N 1 0 307.459 3.414 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C2CCN(OC)CC2)cc1 ZINC000817419245 627898124 /nfs/dbraw/zinc/89/81/24/627898124.db2.gz RPYLYTLBKALHJV-UHFFFAOYSA-N 1 0 319.493 3.428 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Cl)ccc1O ZINC000817586536 627926712 /nfs/dbraw/zinc/92/67/12/627926712.db2.gz PIXGJIJTRATKEB-LALPHHSUSA-N 1 0 324.852 3.378 20 10 DGCDRO COC1([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2O)CCOCC1 ZINC000817588401 627927275 /nfs/dbraw/zinc/92/72/75/627927275.db2.gz ORLMWRUALIYNEV-NEPJUHHUSA-N 1 0 313.825 3.280 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C2(OC)CCOCC2)cc1 ZINC000817589053 627927431 /nfs/dbraw/zinc/92/74/31/627927431.db2.gz SYIZCEIYQXDILU-HOTGVXAUSA-N 1 0 320.477 3.377 20 10 DGCDRO CC1CCN(c2ccc(CN[C@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000817902780 627956896 /nfs/dbraw/zinc/95/68/96/627956896.db2.gz YEEROIXBQJRKQY-APWZRJJASA-N 1 0 301.478 3.011 20 10 DGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000817938167 627966787 /nfs/dbraw/zinc/96/67/87/627966787.db2.gz GABVGLMDLRQUFL-KPZWWZAWSA-N 1 0 319.399 3.381 20 10 DGCDRO CC[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000817941894 627968484 /nfs/dbraw/zinc/96/84/84/627968484.db2.gz SVYIAVYWXXFMHL-WCQYABFASA-N 1 0 302.340 3.204 20 10 DGCDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(N2CCCCCC2)cc1 ZINC000817951230 627972143 /nfs/dbraw/zinc/97/21/43/627972143.db2.gz CBMNVYOILCSFQR-SJLPKXTDSA-N 1 0 301.478 3.470 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952633 627972289 /nfs/dbraw/zinc/97/22/89/627972289.db2.gz RYNBLUBQXZHACU-CABZTGNLSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](N)c2ccccc2)c2c1c(F)ccc2O ZINC000817954047 627973140 /nfs/dbraw/zinc/97/31/40/627973140.db2.gz AQXNPEUONVZDKW-KCPJHIHWSA-N 1 0 300.377 3.369 20 10 DGCDRO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956137 627974053 /nfs/dbraw/zinc/97/40/53/627974053.db2.gz RODPJDXVGGRNIK-UTKZUKDTSA-N 1 0 323.484 3.312 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)c2c1c(F)ccc2O ZINC000817958407 627975018 /nfs/dbraw/zinc/97/50/18/627975018.db2.gz VJMMGFQZLXUIHF-ABAIWWIYSA-N 1 0 300.377 3.494 20 10 DGCDRO C[C@H](N[C@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817960338 627975875 /nfs/dbraw/zinc/97/58/75/627975875.db2.gz MEDDDHKQAIFTFB-SUMWQHHRSA-N 1 0 305.441 3.204 20 10 DGCDRO CCC[NH2+]CCN[C@H](CC)c1cc(Br)ccc1O ZINC000817961883 627976828 /nfs/dbraw/zinc/97/68/28/627976828.db2.gz FTJDKOIXXBDMOJ-CYBMUJFWSA-N 1 0 315.255 3.195 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817964486 627977015 /nfs/dbraw/zinc/97/70/15/627977015.db2.gz AGVVBOARGCIGBL-RYUDHWBXSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000817962467 627977145 /nfs/dbraw/zinc/97/71/45/627977145.db2.gz MSWBHAPUFQCJHW-JGVFFNPUSA-N 1 0 321.646 3.054 20 10 DGCDRO Cc1cc(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)nn1C ZINC000926910144 627977212 /nfs/dbraw/zinc/97/72/12/627977212.db2.gz JPLXQCPAYIEBNM-CQSZACIVSA-N 1 0 313.445 3.206 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(F)cc(F)c1[O-] ZINC000817967667 627977619 /nfs/dbraw/zinc/97/76/19/627977619.db2.gz AGXAPKNRHYPUNV-SNVBAGLBSA-N 1 0 304.340 3.124 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969227 627979114 /nfs/dbraw/zinc/97/91/14/627979114.db2.gz AAWDAGMUEPNMFB-MWODSPESSA-N 1 0 303.233 3.348 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817971805 627979645 /nfs/dbraw/zinc/97/96/45/627979645.db2.gz QDQJFYTXGFMRHY-OPRDCNLKSA-N 1 0 303.233 3.490 20 10 DGCDRO CC[NH2+][C@H](C)CN[C@H](C)c1cc(Br)cc(C)c1O ZINC000817973493 627979977 /nfs/dbraw/zinc/97/99/77/627979977.db2.gz UNXRLWGOTUYSHZ-GHMZBOCLSA-N 1 0 315.255 3.112 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817982232 627982336 /nfs/dbraw/zinc/98/23/36/627982336.db2.gz PRISUSHKAPYJHC-GUBZILKMSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1O ZINC000817981054 627982751 /nfs/dbraw/zinc/98/27/51/627982751.db2.gz PKFOQNNQCIKJRW-KCJUWKMLSA-N 1 0 324.293 3.059 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817981211 627982715 /nfs/dbraw/zinc/98/27/15/627982715.db2.gz HFFVWXZZIIRSRZ-AXFHLTTASA-N 1 0 302.340 3.189 20 10 DGCDRO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817983511 627983246 /nfs/dbraw/zinc/98/32/46/627983246.db2.gz FPJVKDWWVBFBLY-SJLPKXTDSA-N 1 0 301.478 3.470 20 10 DGCDRO C[C@H]([NH3+])c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000817994001 627984321 /nfs/dbraw/zinc/98/43/21/627984321.db2.gz VVGBFOKPGTXBRZ-AWEZNQCLSA-N 1 0 311.429 3.045 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1[O-] ZINC000817987345 627984378 /nfs/dbraw/zinc/98/43/78/627984378.db2.gz SUUWCANCBHPJEL-VLXAULBPSA-N 1 0 308.853 3.474 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nc3c(s2)CCC3)c1 ZINC000926932336 627984662 /nfs/dbraw/zinc/98/46/62/627984662.db2.gz UWRHBQAOOWUMLO-LLVKDONJSA-N 1 0 318.442 3.239 20 10 DGCDRO CCO[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)CN(C)C ZINC000926965055 627991007 /nfs/dbraw/zinc/99/10/07/627991007.db2.gz ZWEGWFBGTHJFBH-ZBFHGGJFSA-N 1 0 316.445 3.163 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c(O)c1C ZINC000927012945 627996797 /nfs/dbraw/zinc/99/67/97/627996797.db2.gz HXSIYBVSTVZUPB-CVEARBPZSA-N 1 0 319.445 3.388 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccncc3)C2)cc1 ZINC000818115751 627997162 /nfs/dbraw/zinc/99/71/62/627997162.db2.gz CKOGOACPBLAUBU-HZPDHXFCSA-N 1 0 311.429 3.267 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1 ZINC000927013730 627997431 /nfs/dbraw/zinc/99/74/31/627997431.db2.gz LZKHVVWBTUYTBN-LSDHHAIUSA-N 1 0 305.418 3.079 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)n1 ZINC000927055629 628003766 /nfs/dbraw/zinc/00/37/66/628003766.db2.gz GLRLNZBOUDHOII-RDBSUJKOSA-N 1 0 313.401 3.251 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c(O)c1C ZINC000927059938 628004921 /nfs/dbraw/zinc/00/49/21/628004921.db2.gz HETNQXSVFKVJTO-DARAHFNDSA-N 1 0 305.418 3.342 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccs3)C2)cc1 ZINC000818220411 628005971 /nfs/dbraw/zinc/00/59/71/628005971.db2.gz JWWRBEHVTWDQDL-CQSZACIVSA-N 1 0 302.443 3.373 20 10 DGCDRO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000927086365 628011066 /nfs/dbraw/zinc/01/10/66/628011066.db2.gz SOOVEEIXCSASSL-VQIMIIECSA-N 1 0 318.461 3.133 20 10 DGCDRO CCCC[C@H](COC)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342158 628015749 /nfs/dbraw/zinc/01/57/49/628015749.db2.gz MTAYWQIAAUKFRG-DLBZAZTESA-N 1 0 320.477 3.316 20 10 DGCDRO CCCC[C@@H](COC)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342161 628015753 /nfs/dbraw/zinc/01/57/53/628015753.db2.gz MTAYWQIAAUKFRG-SJORKVTESA-N 1 0 320.477 3.316 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000818342102 628015817 /nfs/dbraw/zinc/01/58/17/628015817.db2.gz LOUYAKKCLVVXTL-QAPCUYQASA-N 1 0 300.446 3.444 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cncs3)C2)cc1 ZINC000818344131 628016281 /nfs/dbraw/zinc/01/62/81/628016281.db2.gz JNHTXNBUMANEDQ-KBPBESRZSA-N 1 0 317.458 3.329 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cncs3)C2)cc1 ZINC000818344133 628016834 /nfs/dbraw/zinc/01/68/34/628016834.db2.gz JNHTXNBUMANEDQ-UONOGXRCSA-N 1 0 317.458 3.329 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)n(C)n2)c2c1c(F)ccc2O ZINC000927109882 628016904 /nfs/dbraw/zinc/01/69/04/628016904.db2.gz ZIYSBEZHDAKLLV-HZMBPMFUSA-N 1 0 315.392 3.480 20 10 DGCDRO CN(c1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1)C1CCCCC1 ZINC000818981851 628072549 /nfs/dbraw/zinc/07/25/49/628072549.db2.gz ZRULFADXORLDSU-LJQANCHMSA-N 1 0 302.462 3.316 20 10 DGCDRO O[C@H](CCc1ccccc1)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094205 628091106 /nfs/dbraw/zinc/09/11/06/628091106.db2.gz BQWLKCLQXDSNEL-OAQYLSRUSA-N 1 0 322.452 3.146 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1 ZINC000819096150 628091112 /nfs/dbraw/zinc/09/11/12/628091112.db2.gz XQNVINQPJKXVQZ-IBGZPJMESA-N 1 0 312.388 3.025 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)cc1OC ZINC000822498236 628458170 /nfs/dbraw/zinc/45/81/70/628458170.db2.gz WSXIQGNXQSXWSW-QZTJIDSGSA-N 1 0 317.360 3.136 20 10 DGCDRO CCOC(=O)CN(Cc1sccc1C)Cc1ccccc1O ZINC000822511291 628459496 /nfs/dbraw/zinc/45/94/96/628459496.db2.gz BCHWSAYUOCDTHV-UHFFFAOYSA-N 1 0 319.426 3.327 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822653834 628475421 /nfs/dbraw/zinc/47/54/21/628475421.db2.gz CUCKRKXIJVWIRF-OAHLLOKOSA-N 1 0 304.434 3.004 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000823026011 628519450 /nfs/dbraw/zinc/51/94/50/628519450.db2.gz OCKCLHAYJMJSEF-MRXNPFEDSA-N 1 0 318.461 3.394 20 10 DGCDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)C1=CC(=O)CS1 ZINC000823248596 628542083 /nfs/dbraw/zinc/54/20/83/628542083.db2.gz OWJMHIGVQSHDEL-UHFFFAOYSA-N 1 0 310.463 3.038 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000823671359 628585579 /nfs/dbraw/zinc/58/55/79/628585579.db2.gz MNXJOLXYKPHCDK-QGZVFWFLSA-N 1 0 306.425 3.331 20 10 DGCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824272017 628645583 /nfs/dbraw/zinc/64/55/83/628645583.db2.gz PPWGOUOQCLGXJN-PBHICJAKSA-N 1 0 316.470 3.340 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000824483252 628664509 /nfs/dbraw/zinc/66/45/09/628664509.db2.gz KLRSMNUTYLPXDW-CYBMUJFWSA-N 1 0 301.411 3.380 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2=CCOCC2)c(C(F)(F)F)c1 ZINC000824597282 628674944 /nfs/dbraw/zinc/67/49/44/628674944.db2.gz PXRMHZRDQPDBBX-UHFFFAOYSA-N 1 0 314.351 3.208 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3ccnc(C)c3)CC2)cc1 ZINC000824596028 628675238 /nfs/dbraw/zinc/67/52/38/628675238.db2.gz FCXRBLWGKXUABY-UHFFFAOYSA-N 1 0 311.429 3.157 20 10 DGCDRO CCCC(=O)NC1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824596115 628675401 /nfs/dbraw/zinc/67/54/01/628675401.db2.gz AIIGPBAXMNVUHZ-UHFFFAOYSA-N 1 0 324.852 3.235 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000824625210 628678216 /nfs/dbraw/zinc/67/82/16/628678216.db2.gz GYJVDMFPPUVCHI-GFCCVEGCSA-N 1 0 314.223 3.120 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)[C@H](O)C(F)F ZINC000824635027 628679431 /nfs/dbraw/zinc/67/94/31/628679431.db2.gz DWYNPTPOGVZDRT-HIFRSBDPSA-N 1 0 318.383 3.166 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@](C)(OC)c2ccccc2)c1 ZINC000824780180 628692869 /nfs/dbraw/zinc/69/28/69/628692869.db2.gz HFBJMPHEKSHDLV-LJQANCHMSA-N 1 0 315.413 3.442 20 10 DGCDRO OC[C@@H]([C@H]([NH2+]Cc1ccc2ccccc2c1O)C1CC1)C1CC1 ZINC000824846331 628700095 /nfs/dbraw/zinc/70/00/95/628700095.db2.gz QRPBZQOCSSJMJN-RTBURBONSA-N 1 0 311.425 3.432 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000824932074 628708105 /nfs/dbraw/zinc/70/81/05/628708105.db2.gz IWEZCEFGONPPPJ-NVXWUHKLSA-N 1 0 318.804 3.451 20 10 DGCDRO c1cc([C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)CCO2)ccn1 ZINC000824948269 628710338 /nfs/dbraw/zinc/71/03/38/628710338.db2.gz QBORXCSUZYSEEH-PKOBYXMFSA-N 1 0 310.397 3.026 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)c2nccn21 ZINC000825017448 628716767 /nfs/dbraw/zinc/71/67/67/628716767.db2.gz RSQARMQUBYRPTN-CABZTGNLSA-N 1 0 322.206 3.147 20 10 DGCDRO COc1cccc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)c1O ZINC000825017694 628717120 /nfs/dbraw/zinc/71/71/20/628717120.db2.gz XIHVICRWBDIODS-UHFFFAOYSA-N 1 0 301.361 3.405 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1Cl ZINC000825038096 628719617 /nfs/dbraw/zinc/71/96/17/628719617.db2.gz QMDHGIZJOKVYHN-INIZCTEOSA-N 1 0 309.768 3.316 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1Cl ZINC000825059142 628722852 /nfs/dbraw/zinc/72/28/52/628722852.db2.gz SMFFXWDZDOMIAV-UHFFFAOYSA-N 1 0 319.788 3.415 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2COCC2(C)C)c(C(F)(F)F)c1 ZINC000825098140 628727700 /nfs/dbraw/zinc/72/77/00/628727700.db2.gz BBKLVCKVXYBCFL-AWEZNQCLSA-N 1 0 316.367 3.286 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825130736 628731029 /nfs/dbraw/zinc/73/10/29/628731029.db2.gz DZLAQUHRJVXDTC-QGZVFWFLSA-N 1 0 305.805 3.486 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)Cc2ccccc2)cc1Cl ZINC000825138457 628731808 /nfs/dbraw/zinc/73/18/08/628731808.db2.gz MKGDIIPELFIOED-OAHLLOKOSA-N 1 0 319.832 3.295 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)Cc2ccccc2)cc1Cl ZINC000825279841 628746238 /nfs/dbraw/zinc/74/62/38/628746238.db2.gz YIJCZTALQPMTIJ-OAHLLOKOSA-N 1 0 305.805 3.047 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)Cc2ccccc2)cc1Cl ZINC000825279840 628746251 /nfs/dbraw/zinc/74/62/51/628746251.db2.gz YIJCZTALQPMTIJ-HNNXBMFYSA-N 1 0 305.805 3.047 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCOC2CCOCC2)cc1Cl ZINC000825297610 628747300 /nfs/dbraw/zinc/74/73/00/628747300.db2.gz ISMMUOKUWWYKSO-UHFFFAOYSA-N 1 0 313.825 3.029 20 10 DGCDRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(Br)cc1O ZINC000825325739 628749796 /nfs/dbraw/zinc/74/97/96/628749796.db2.gz HXBQFBQZWPHUEG-LLVKDONJSA-N 1 0 321.218 3.271 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@]2(CO)CCc3ccccc32)cc1Cl ZINC000825374580 628754927 /nfs/dbraw/zinc/75/49/27/628754927.db2.gz CJLBYJLHPCPYPP-GOSISDBHSA-N 1 0 317.816 3.278 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(N(C)C)n2)cc1Cl ZINC000825376150 628755488 /nfs/dbraw/zinc/75/54/88/628755488.db2.gz VLTBPFXQPPBNGU-UHFFFAOYSA-N 1 0 305.809 3.105 20 10 DGCDRO Cc1cnccc1CC[NH2+]Cc1ccc(Br)cc1O ZINC000825380124 628756190 /nfs/dbraw/zinc/75/61/90/628756190.db2.gz YAHMGHJUGAWFKI-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825439466 628761422 /nfs/dbraw/zinc/76/14/22/628761422.db2.gz CXAQSRVFQKCRHE-CYBMUJFWSA-N 1 0 323.400 3.155 20 10 DGCDRO CO[C@@H](CC[NH2+]Cc1cc(Cl)c(C)cc1O)C(F)(F)F ZINC000825651443 628782314 /nfs/dbraw/zinc/78/23/14/628782314.db2.gz IRELGAHFXJVIJJ-LBPRGKRZSA-N 1 0 311.731 3.411 20 10 DGCDRO Cc1cc(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1Cl ZINC000825885145 628806828 /nfs/dbraw/zinc/80/68/28/628806828.db2.gz DGAADLAAVHADHQ-UKRRQHHQSA-N 1 0 308.853 3.413 20 10 DGCDRO C[C@H](CSCCF)[NH2+]Cc1cc(Br)ccc1O ZINC000825893177 628808099 /nfs/dbraw/zinc/80/80/99/628808099.db2.gz QZLDHVHYXASZJV-SECBINFHSA-N 1 0 322.243 3.336 20 10 DGCDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000826043694 628822672 /nfs/dbraw/zinc/82/26/72/628822672.db2.gz OQWIBBJQYDQVLY-CXAGYDPISA-N 1 0 321.461 3.291 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826131295 628830096 /nfs/dbraw/zinc/83/00/96/628830096.db2.gz QTOOFZZAUSQVPW-OCCSQVGLSA-N 1 0 307.434 3.044 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1Cl ZINC000826910441 628902363 /nfs/dbraw/zinc/90/23/63/628902363.db2.gz HWFOUOGKQZVVOJ-UVARLRKDSA-N 1 0 315.866 3.133 20 10 DGCDRO COCCN(CCF)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000827049608 628916673 /nfs/dbraw/zinc/91/66/73/628916673.db2.gz ZBGCPCSQHWYLNO-UHFFFAOYSA-N 1 0 322.346 3.189 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1O ZINC000827538592 628969246 /nfs/dbraw/zinc/96/92/46/628969246.db2.gz RIGNOEVBUMRVPQ-UHFFFAOYSA-N 1 0 317.429 3.182 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)c1O ZINC000827716407 628985171 /nfs/dbraw/zinc/98/51/71/628985171.db2.gz ZHXVVHGBPOMPCN-INIZCTEOSA-N 1 0 307.340 3.056 20 10 DGCDRO Cc1ccc(O)c(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1 ZINC000827789909 628991613 /nfs/dbraw/zinc/99/16/13/628991613.db2.gz YGIPTIKLOVYKJF-YPMHNXCESA-N 1 0 303.324 3.242 20 10 DGCDRO COC[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827872647 628999029 /nfs/dbraw/zinc/99/90/29/628999029.db2.gz FHLZHYSMYZJGMQ-SFHVURJKSA-N 1 0 302.462 3.454 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C1(CO)CC1 ZINC000827903673 629002064 /nfs/dbraw/zinc/00/20/64/629002064.db2.gz NPOYBAGANJHIIA-UHFFFAOYSA-N 1 0 322.452 3.206 20 10 DGCDRO CCOc1cccc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c1O ZINC000827962995 629008895 /nfs/dbraw/zinc/00/88/95/629008895.db2.gz XRAKHRXBNBADEU-BZNIZROVSA-N 1 0 315.360 3.035 20 10 DGCDRO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000828014047 629014699 /nfs/dbraw/zinc/01/46/99/629014699.db2.gz RVBIMKBSMPGNRL-UHFFFAOYSA-N 1 0 305.809 3.353 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](O)CC2)ccc1N1CCCCC1 ZINC000830052099 629220978 /nfs/dbraw/zinc/22/09/78/629220978.db2.gz IOBXCZAFLROCOU-GOSISDBHSA-N 1 0 302.462 3.332 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000831322634 629362776 /nfs/dbraw/zinc/36/27/76/629362776.db2.gz XJMSASLOJFWCBS-XYPHTWIQSA-N 1 0 321.392 3.027 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CCCCCCC2)cc1 ZINC000832272581 629457673 /nfs/dbraw/zinc/45/76/73/629457673.db2.gz HGDOCILCKYJIJK-SFHVURJKSA-N 1 0 317.477 3.229 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CCCCCCC2)cc1 ZINC000832272579 629457690 /nfs/dbraw/zinc/45/76/90/629457690.db2.gz HGDOCILCKYJIJK-GOSISDBHSA-N 1 0 317.477 3.229 20 10 DGCDRO CCCCCC[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274430 629458406 /nfs/dbraw/zinc/45/84/06/629458406.db2.gz SZFJHDYMBHZLEX-YJBOKZPZSA-N 1 0 319.493 3.475 20 10 DGCDRO C[C@@H]1CCC[C@H](CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832278452 629458407 /nfs/dbraw/zinc/45/84/07/629458407.db2.gz CFSPTFWGOMJOQW-VKJFTORMSA-N 1 0 317.477 3.085 20 10 DGCDRO C[C@@H]1CCC[C@H](CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832278451 629458482 /nfs/dbraw/zinc/45/84/82/629458482.db2.gz CFSPTFWGOMJOQW-RVKKMQEKSA-N 1 0 317.477 3.085 20 10 DGCDRO CCC1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCCCC1 ZINC000832283773 629459107 /nfs/dbraw/zinc/45/91/07/629459107.db2.gz BKDWMGYQFXJMKH-QGZVFWFLSA-N 1 0 317.477 3.229 20 10 DGCDRO C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279615 629459176 /nfs/dbraw/zinc/45/91/76/629459176.db2.gz KUDPQHKWRSOUAE-KYJSFNMBSA-N 1 0 317.477 3.085 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1O ZINC000832779518 629513821 /nfs/dbraw/zinc/51/38/21/629513821.db2.gz ZNGOPAAESZRYKD-HNNXBMFYSA-N 1 0 324.852 3.163 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCN1CCc3ccccc3C1)CC2 ZINC000834496410 629717484 /nfs/dbraw/zinc/71/74/84/629717484.db2.gz HMSLHTDFYAVWPU-SFHVURJKSA-N 1 0 308.425 3.027 20 10 DGCDRO CN(C)C(=O)C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834530073 629721341 /nfs/dbraw/zinc/72/13/41/629721341.db2.gz AUOVEOBHADBAIN-IAGOWNOFSA-N 1 0 324.424 3.189 20 10 DGCDRO O=C(Nc1ccccc1)C1([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834773323 629777330 /nfs/dbraw/zinc/77/73/30/629777330.db2.gz FENVDZORYFZNIG-OAHLLOKOSA-N 1 0 308.381 3.140 20 10 DGCDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000834841578 629788368 /nfs/dbraw/zinc/78/83/68/629788368.db2.gz XHRDGKJQTUIUHR-HOCLYGCPSA-N 1 0 324.440 3.128 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(F)F)c1cc(Cl)ccc1O ZINC000834875952 629795219 /nfs/dbraw/zinc/79/52/19/629795219.db2.gz WDGYEXUAPZTVET-GMXVVIOVSA-N 1 0 307.768 3.491 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)C ZINC000834880245 629795966 /nfs/dbraw/zinc/79/59/66/629795966.db2.gz QDGFFTQOHKMATA-NDGTYSDOSA-N 1 0 322.424 3.172 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)C ZINC000834880244 629796089 /nfs/dbraw/zinc/79/60/89/629796089.db2.gz QDGFFTQOHKMATA-BNLOLNQZSA-N 1 0 322.424 3.172 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000834895946 629801073 /nfs/dbraw/zinc/80/10/73/629801073.db2.gz FROBXCYKNKOHQS-IAQYHMDHSA-N 1 0 307.825 3.451 20 10 DGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834896282 629801142 /nfs/dbraw/zinc/80/11/42/629801142.db2.gz JOPOFHDGXWCLFF-JTNHKYCSSA-N 1 0 303.381 3.034 20 10 DGCDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834898861 629801976 /nfs/dbraw/zinc/80/19/76/629801976.db2.gz HHYOTVMNZSBJMQ-JKSUJKDBSA-N 1 0 317.477 3.242 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c1 ZINC000834898147 629802028 /nfs/dbraw/zinc/80/20/28/629802028.db2.gz JKOUUZXRRGCFBT-PMUMKWKESA-N 1 0 315.417 3.005 20 10 DGCDRO CC[N@H+](C)C[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027155 629828850 /nfs/dbraw/zinc/82/88/50/629828850.db2.gz BOPKRLAASPNWRN-HPFMTEOYSA-N 1 0 301.478 3.039 20 10 DGCDRO CC[N@H+](C)C[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027156 629829150 /nfs/dbraw/zinc/82/91/50/629829150.db2.gz BOPKRLAASPNWRN-IPLHWJFFSA-N 1 0 301.478 3.039 20 10 DGCDRO CCCNC(=O)C[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCC ZINC000835027278 629829375 /nfs/dbraw/zinc/82/93/75/629829375.db2.gz JWESUIULQDCYLO-BQYQJAHWSA-N 1 0 317.477 3.004 20 10 DGCDRO Cc1nccn1C[C@H](C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035523 629830334 /nfs/dbraw/zinc/83/03/34/629830334.db2.gz IVWCBYFTQRORQC-SQRWCISFSA-N 1 0 312.461 3.197 20 10 DGCDRO CC[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCCC1 ZINC000835035934 629830375 /nfs/dbraw/zinc/83/03/75/629830375.db2.gz LQGOQYRKMCJNLK-ZEVQVBBLSA-N 1 0 301.478 3.230 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000835034668 629830418 /nfs/dbraw/zinc/83/04/18/629830418.db2.gz CKZWVTRRPUIWFA-BBIZLLLXSA-N 1 0 310.441 3.397 20 10 DGCDRO CCn1nc(C)c(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1C ZINC000835038749 629831335 /nfs/dbraw/zinc/83/13/35/629831335.db2.gz ZQELNTVSMHYMFY-BQYQJAHWSA-N 1 0 312.461 3.389 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)C2CCCCC2)cc1 ZINC000835037113 629831486 /nfs/dbraw/zinc/83/14/86/629831486.db2.gz NTXPQSKUAAJISG-OVKVCFKUSA-N 1 0 302.462 3.297 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCC(=O)OC(C)(C)C)cc1 ZINC000835040212 629831741 /nfs/dbraw/zinc/83/17/41/629831741.db2.gz OEPQIGDTEPRJGI-SREVYHEPSA-N 1 0 304.434 3.087 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1 ZINC000835042536 629833202 /nfs/dbraw/zinc/83/32/02/629833202.db2.gz JBCNCRGRUXASHS-XFHJGTJQSA-N 1 0 316.445 3.041 20 10 DGCDRO CC(C)C[C@H](CCO)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835043636 629833775 /nfs/dbraw/zinc/83/37/75/629833775.db2.gz TYANSMARVPZPGN-QWNKOJSDSA-N 1 0 304.478 3.400 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(CCCO)CC2)cc1 ZINC000835048561 629835304 /nfs/dbraw/zinc/83/53/04/629835304.db2.gz VGANZZOWDFILQZ-HYXAFXHYSA-N 1 0 302.462 3.250 20 10 DGCDRO CO[C@@H](CC[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(F)(F)F ZINC000835049434 629836235 /nfs/dbraw/zinc/83/62/35/629836235.db2.gz DNGCKJOCCXAQRL-XVWMLYKFSA-N 1 0 316.367 3.323 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC000835049380 629836490 /nfs/dbraw/zinc/83/64/90/629836490.db2.gz DIZPTYWAVZOOHS-VORVDVFJSA-N 1 0 324.468 3.267 20 10 DGCDRO Cc1nccn1CCC[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835052495 629836971 /nfs/dbraw/zinc/83/69/71/629836971.db2.gz DPFWROYBOGXRIB-ALCCZGGFSA-N 1 0 312.461 3.293 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H](O)c2ccccc2)cc1 ZINC000835052455 629837061 /nfs/dbraw/zinc/83/70/61/629837061.db2.gz CDPRUZRXGTWUPJ-ROUKRRSUSA-N 1 0 310.441 3.479 20 10 DGCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835051814 629837117 /nfs/dbraw/zinc/83/71/17/629837117.db2.gz JYSGVXIFFVVARW-WENXUGBFSA-N 1 0 302.462 3.391 20 10 DGCDRO CCC[C@@]1(CO)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835051873 629837192 /nfs/dbraw/zinc/83/71/92/629837192.db2.gz AWHUXQVCZUGKRA-SFFCAUCYSA-N 1 0 302.462 3.250 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C2CCC(CO)CC2)cc1 ZINC000835054165 629838375 /nfs/dbraw/zinc/83/83/75/629838375.db2.gz RPNFRZGJEOHLDZ-PLNGDYQASA-N 1 0 302.462 3.249 20 10 DGCDRO CN(C)c1ccc(/C=C/CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000835055199 629838589 /nfs/dbraw/zinc/83/85/89/629838589.db2.gz WTVSNQAUBDQFMH-VOTSOKGWSA-N 1 0 313.489 3.372 20 10 DGCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835054798 629838968 /nfs/dbraw/zinc/83/89/68/629838968.db2.gz YQIUFRFGRBPGNF-CNTTWCMLSA-N 1 0 313.489 3.324 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000835055970 629839444 /nfs/dbraw/zinc/83/94/44/629839444.db2.gz QNXDWQLBGKPWSF-QWNKOJSDSA-N 1 0 300.446 3.145 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1 ZINC000835065278 629842837 /nfs/dbraw/zinc/84/28/37/629842837.db2.gz GWUBBMHHKNCACK-SFHVURJKSA-N 1 0 321.461 3.458 20 10 DGCDRO CCOc1cccc(C[N@H+](C)CCOc2ccc(F)cc2)c1O ZINC000121473862 630186520 /nfs/dbraw/zinc/18/65/20/630186520.db2.gz JTURTLRCWOYRQI-UHFFFAOYSA-N 1 0 319.376 3.441 20 10 DGCDRO CCn1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)n1 ZINC000840839884 630365526 /nfs/dbraw/zinc/36/55/26/630365526.db2.gz ANSMUQZZMWTWNP-JTQLQIEISA-N 1 0 324.222 3.222 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](c2ccco2)N(C)C)c(Cl)c1 ZINC000840876484 630370337 /nfs/dbraw/zinc/37/03/37/630370337.db2.gz NAYVDEYAUFUBQQ-AWEZNQCLSA-N 1 0 308.809 3.340 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H](O)C(C)C ZINC000840879826 630371258 /nfs/dbraw/zinc/37/12/58/630371258.db2.gz TXAMKNFNFIROGL-RBUKOAKNSA-N 1 0 320.477 3.049 20 10 DGCDRO COc1ccccc1[C@@H](O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840882453 630371516 /nfs/dbraw/zinc/37/15/16/630371516.db2.gz OHHUSJRUTXLLEP-INIZCTEOSA-N 1 0 321.804 3.186 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(N(C)C)cc1C)c1ccn(C)n1 ZINC000840894819 630373779 /nfs/dbraw/zinc/37/37/79/630373779.db2.gz UDPATHBCMWHVEK-CRAIPNDOSA-N 1 0 314.477 3.466 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000840895038 630374554 /nfs/dbraw/zinc/37/45/54/630374554.db2.gz UXDAOZGPAHJPGV-LSDHHAIUSA-N 1 0 300.450 3.076 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCNc2ccccn2)c(Cl)c1 ZINC000840904266 630375124 /nfs/dbraw/zinc/37/51/24/630375124.db2.gz ICMUJMZXHQFZLL-UHFFFAOYSA-N 1 0 305.809 3.341 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2C)ccc1O ZINC000840909226 630376577 /nfs/dbraw/zinc/37/65/77/630376577.db2.gz DABXXGIFWRNZIK-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000840929753 630379650 /nfs/dbraw/zinc/37/96/50/630379650.db2.gz FPVHIBOWOZSAOK-UHFFFAOYSA-N 1 0 311.429 3.309 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000840934166 630379849 /nfs/dbraw/zinc/37/98/49/630379849.db2.gz MZTSFCUIXLPWFS-KRWDZBQOSA-N 1 0 320.383 3.162 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)CCc2ccccc2)c(Cl)c1 ZINC000840939735 630381435 /nfs/dbraw/zinc/38/14/35/630381435.db2.gz PBXYQIHYILCZIF-OAHLLOKOSA-N 1 0 319.832 3.437 20 10 DGCDRO Cc1cc(O)c(CNC2CC([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000840941528 630382041 /nfs/dbraw/zinc/38/20/41/630382041.db2.gz YUQPZUMWBHXSLM-UHFFFAOYSA-N 1 0 308.853 3.461 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000840943690 630382051 /nfs/dbraw/zinc/38/20/51/630382051.db2.gz YULAOWSTJUHYNI-UHFFFAOYSA-N 1 0 302.462 3.454 20 10 DGCDRO Cc1cc(O)c(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(Cl)c1 ZINC000840948010 630382676 /nfs/dbraw/zinc/38/26/76/630382676.db2.gz JIXYPYLQJQYIJB-KGLIPLIRSA-N 1 0 308.853 3.413 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000840950158 630383184 /nfs/dbraw/zinc/38/31/84/630383184.db2.gz KSCSGFRRHZLDQG-GOSISDBHSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000840951330 630383483 /nfs/dbraw/zinc/38/34/83/630383483.db2.gz WJGASZROOIXABG-ZANVPECISA-N 1 0 323.742 3.099 20 10 DGCDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(N)cc1 ZINC000841033773 630399112 /nfs/dbraw/zinc/39/91/12/630399112.db2.gz ATIOJBRYJDIEBT-CQSZACIVSA-N 1 0 313.401 3.330 20 10 DGCDRO Nc1ccc(CC[NH2+]Cc2c(F)cccc2N2CCCC2)cc1 ZINC000841034428 630399848 /nfs/dbraw/zinc/39/98/48/630399848.db2.gz AWUHRZOPHBHHIX-UHFFFAOYSA-N 1 0 313.420 3.340 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000841040100 630400406 /nfs/dbraw/zinc/40/04/06/630400406.db2.gz IKKCVFXCIRDMSA-IBGZPJMESA-N 1 0 320.440 3.090 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc3cccnc32)cc1 ZINC000841041538 630400731 /nfs/dbraw/zinc/40/07/31/630400731.db2.gz DAMDGMGRGGMZCX-LJQANCHMSA-N 1 0 320.440 3.090 20 10 DGCDRO C[C@@H]1CN(Cc2cc(F)ccc2O)c2cc(F)ccc2C[NH2+]1 ZINC000841048320 630401731 /nfs/dbraw/zinc/40/17/31/630401731.db2.gz XIBKDTHDARHTEQ-LLVKDONJSA-N 1 0 304.340 3.169 20 10 DGCDRO C[C@H](CCc1ccsc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046137 630401894 /nfs/dbraw/zinc/40/18/94/630401894.db2.gz WWMNZHAFQCMIFE-KDOFPFPSSA-N 1 0 317.502 3.425 20 10 DGCDRO CCN(CC)c1ccc(CNc2ccc(OCC[NH3+])cc2)cc1 ZINC000841052611 630402379 /nfs/dbraw/zinc/40/23/79/630402379.db2.gz HCBAPTFZJPCEIU-UHFFFAOYSA-N 1 0 313.445 3.482 20 10 DGCDRO CN(C)c1ccc(/C=C/CNc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC000841081925 630405636 /nfs/dbraw/zinc/40/56/36/630405636.db2.gz HWMHXNWBPYVBKB-ONEGZZNKSA-N 1 0 323.440 3.360 20 10 DGCDRO CCN(CC)c1ccc(CN[C@@H](CC[NH3+])C(F)(F)F)cc1F ZINC000841090073 630406667 /nfs/dbraw/zinc/40/66/67/630406667.db2.gz DULXELCPPPYOOD-AWEZNQCLSA-N 1 0 321.362 3.041 20 10 DGCDRO CCOc1ccc(O)c(CN2C[C@@H](C)[NH2+]Cc3ccccc32)c1 ZINC000841089212 630406954 /nfs/dbraw/zinc/40/69/54/630406954.db2.gz JANZLZBFIOIBRP-CQSZACIVSA-N 1 0 312.413 3.289 20 10 DGCDRO [NH3+][C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1c1cccc(F)c1 ZINC000841103835 630408655 /nfs/dbraw/zinc/40/86/55/630408655.db2.gz LXDLTDLLVJIPED-XJKSGUPXSA-N 1 0 320.795 3.111 20 10 DGCDRO C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000841296486 630424066 /nfs/dbraw/zinc/42/40/66/630424066.db2.gz TYOCZXLGGGSNRC-KGLIPLIRSA-N 1 0 316.449 3.043 20 10 DGCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841299873 630424972 /nfs/dbraw/zinc/42/49/72/630424972.db2.gz JGQQNBWTYIVYMT-CQSZACIVSA-N 1 0 318.465 3.291 20 10 DGCDRO C[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1ccc(N(C)C)cc1 ZINC000841322000 630428512 /nfs/dbraw/zinc/42/85/12/630428512.db2.gz FQFMOLSWYQWFMX-CYBMUJFWSA-N 1 0 312.417 3.094 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841744502 630461041 /nfs/dbraw/zinc/46/10/41/630461041.db2.gz OWYOKULIBXVCEK-APPDUMDISA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1O ZINC000841746999 630461590 /nfs/dbraw/zinc/46/15/90/630461590.db2.gz MNQQYBZKLHCJKC-SNVBAGLBSA-N 1 0 314.813 3.221 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(Cl)cc1O ZINC000841752285 630462228 /nfs/dbraw/zinc/46/22/28/630462228.db2.gz SBGBQGNHDSGUQL-YPMHNXCESA-N 1 0 311.809 3.382 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841752864 630462306 /nfs/dbraw/zinc/46/23/06/630462306.db2.gz QKQZANNTWGLDGV-JTQLQIEISA-N 1 0 319.792 3.250 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(Cl)cc1O ZINC000841752282 630462375 /nfs/dbraw/zinc/46/23/75/630462375.db2.gz SBGBQGNHDSGUQL-AAEUAGOBSA-N 1 0 311.809 3.382 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Cl)cc1O ZINC000841756141 630462495 /nfs/dbraw/zinc/46/24/95/630462495.db2.gz RQRBENSGYDYTOX-KDDOJWQBSA-N 1 0 305.752 3.245 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(C(F)(F)F)cc1O ZINC000841760644 630462842 /nfs/dbraw/zinc/46/28/42/630462842.db2.gz WZCGZZNUYWKICJ-VHRBIJSZSA-N 1 0 303.324 3.365 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC(F)F)C2)c2c1c(F)ccc2O ZINC000841765368 630463821 /nfs/dbraw/zinc/46/38/21/630463821.db2.gz RCBXEVXYDDIVRJ-CKYFFXLPSA-N 1 0 314.351 3.009 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc2c(cc1O)CCCC2 ZINC000841766026 630463887 /nfs/dbraw/zinc/46/38/87/630463887.db2.gz XWNSYJWUKSTNOS-SWLSCSKDSA-N 1 0 324.415 3.261 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCC(OC3CCC3)CC2)c1 ZINC000841888503 630473162 /nfs/dbraw/zinc/47/31/62/630473162.db2.gz JPRPKEZVCMPJFX-UHFFFAOYSA-N 1 0 305.418 3.324 20 10 DGCDRO CO[C@H](CC(C)C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842151537 630499382 /nfs/dbraw/zinc/49/93/82/630499382.db2.gz CAIRSNLPGXEIHU-ZWKOTPCHSA-N 1 0 321.461 3.434 20 10 DGCDRO CCOc1ccc(N(C)C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000842472600 630539495 /nfs/dbraw/zinc/53/94/95/630539495.db2.gz FTNAGAAFQMUWDS-MRXNPFEDSA-N 1 0 314.429 3.273 20 10 DGCDRO C[N@H+](Cc1c(O)ccc2ccncc21)C[C@@](C)(O)c1ccccc1 ZINC000842622408 630554658 /nfs/dbraw/zinc/55/46/58/630554658.db2.gz AWCFAVREYLOIQC-HXUWFJFHSA-N 1 0 322.408 3.280 20 10 DGCDRO CC(C)Cn1nccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000842700030 630565396 /nfs/dbraw/zinc/56/53/96/630565396.db2.gz UIJAYXIVLTWILL-OAHLLOKOSA-N 1 0 300.450 3.456 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000842725210 630568204 /nfs/dbraw/zinc/56/82/04/630568204.db2.gz RYBXWXPVSGRDER-UHFFFAOYSA-N 1 0 323.295 3.012 20 10 DGCDRO CC[C@H](C)C[C@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000842756570 630572097 /nfs/dbraw/zinc/57/20/97/630572097.db2.gz NYKWBPZPXGLLKE-DOTOQJQBSA-N 1 0 320.477 3.051 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000842784031 630576043 /nfs/dbraw/zinc/57/60/43/630576043.db2.gz LZKUWOWREZERNB-CVEARBPZSA-N 1 0 317.429 3.222 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(C)cc1O ZINC000842884375 630589179 /nfs/dbraw/zinc/58/91/79/630589179.db2.gz JAKKVTPLHHYNAP-CABCVRRESA-N 1 0 304.434 3.141 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000842885324 630589768 /nfs/dbraw/zinc/58/97/68/630589768.db2.gz NCNBUVBGKICEJV-IAGOWNOFSA-N 1 0 317.477 3.193 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CCO)c2ccccc2F)c1 ZINC000842922803 630593561 /nfs/dbraw/zinc/59/35/61/630593561.db2.gz DTEDZQMNRIIDEX-SJCJKPOMSA-N 1 0 319.376 3.314 20 10 DGCDRO OCC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000842925207 630594002 /nfs/dbraw/zinc/59/40/02/630594002.db2.gz WVBMTDICQTXUNZ-JKSUJKDBSA-N 1 0 301.361 3.232 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCC([NH2+]CC3CC3)CC2)c1O ZINC000843054286 630608956 /nfs/dbraw/zinc/60/89/56/630608956.db2.gz JBPHDGARTAZOBC-UHFFFAOYSA-N 1 0 308.853 3.318 20 10 DGCDRO Oc1ccc(F)cc1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000843053289 630608981 /nfs/dbraw/zinc/60/89/81/630608981.db2.gz TXVPZLJMMLMIQF-GOSISDBHSA-N 1 0 314.404 3.286 20 10 DGCDRO COc1ccc(CN2CCCc3cc(C[NH3+])ccc32)c(OC)c1 ZINC000843057721 630609413 /nfs/dbraw/zinc/60/94/13/630609413.db2.gz SDOAKIIGHAMTPE-UHFFFAOYSA-N 1 0 312.413 3.115 20 10 DGCDRO CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000843056453 630609449 /nfs/dbraw/zinc/60/94/49/630609449.db2.gz KKWZEALIKIJVSM-IBGZPJMESA-N 1 0 303.494 3.482 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126299 630616695 /nfs/dbraw/zinc/61/66/95/630616695.db2.gz ICKNULNJBMIEQK-UONOGXRCSA-N 1 0 308.853 3.257 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc(-c2ccco2)on1 ZINC000843350758 630648659 /nfs/dbraw/zinc/64/86/59/630648659.db2.gz YIRCFOVFIPJOAV-UHFFFAOYSA-N 1 0 309.369 3.346 20 10 DGCDRO Cc1ccccc1NC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350189 630648956 /nfs/dbraw/zinc/64/89/56/630648956.db2.gz OOZXFDIWAICQBI-HNNXBMFYSA-N 1 0 323.440 3.234 20 10 DGCDRO CC1(CC(F)F)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843424813 630656856 /nfs/dbraw/zinc/65/68/56/630656856.db2.gz LBSVGXSDRZAFBL-UHFFFAOYSA-N 1 0 310.388 3.000 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000843430968 630657792 /nfs/dbraw/zinc/65/77/92/630657792.db2.gz KHAQNMGYMXGKKT-MRXNPFEDSA-N 1 0 302.462 3.452 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2C)cc1 ZINC000105443460 630712146 /nfs/dbraw/zinc/71/21/46/630712146.db2.gz SUELZJCHNPSCML-MRXNPFEDSA-N 1 0 314.477 3.464 20 10 DGCDRO Oc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000105487224 630718483 /nfs/dbraw/zinc/71/84/83/630718483.db2.gz GNWIDNIJLGYLMA-LJQANCHMSA-N 1 0 324.424 3.006 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2sc(C)nc2C)cc1 ZINC000844401480 630724883 /nfs/dbraw/zinc/72/48/83/630724883.db2.gz OCQWLBOPOFOYRB-UHFFFAOYSA-N 1 0 319.474 3.337 20 10 DGCDRO OC[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)CCc2ccccc21 ZINC000846011950 631206038 /nfs/dbraw/zinc/20/60/38/631206038.db2.gz RCRBECWSSAXFPO-SFHVURJKSA-N 1 0 317.816 3.012 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1ccccc1F)[C@@H](C)O ZINC000846012616 631206058 /nfs/dbraw/zinc/20/60/58/631206058.db2.gz GFJYMOGSTFBKEU-KUHUBIRLSA-N 1 0 316.420 3.412 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)cc1C ZINC000846015715 631206208 /nfs/dbraw/zinc/20/62/08/631206208.db2.gz CXAJMBQRODCRNW-ACJLOTCBSA-N 1 0 303.377 3.360 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846019165 631206553 /nfs/dbraw/zinc/20/65/53/631206553.db2.gz XWZHYEMRYDFNSU-YVEFUNNKSA-N 1 0 319.376 3.142 20 10 DGCDRO FC1(F)CC12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000846054164 631208369 /nfs/dbraw/zinc/20/83/69/631208369.db2.gz FJXKWLZGHLVTPE-UHFFFAOYSA-N 1 0 322.399 3.144 20 10 DGCDRO C[C@H](CO)C1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000846057224 631208611 /nfs/dbraw/zinc/20/86/11/631208611.db2.gz FMBUFMMBPYRCDD-YIEVGGLXSA-N 1 0 302.462 3.106 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC2(N(C)C)CCCCC2)c1O ZINC000846136853 631211385 /nfs/dbraw/zinc/21/13/85/631211385.db2.gz KOXDWRXXDWVITE-CQSZACIVSA-N 1 0 306.450 3.316 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC2(N(C)C)CCCCC2)c1O ZINC000846136852 631211424 /nfs/dbraw/zinc/21/14/24/631211424.db2.gz KOXDWRXXDWVITE-AWEZNQCLSA-N 1 0 306.450 3.316 20 10 DGCDRO COCc1ccccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846136688 631211457 /nfs/dbraw/zinc/21/14/57/631211457.db2.gz NBJPWYHMNKPMLR-ZDUSSCGKSA-N 1 0 301.386 3.398 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1O ZINC000846142649 631211511 /nfs/dbraw/zinc/21/15/11/631211511.db2.gz BKEIAZOJHZCRBJ-ZDUSSCGKSA-N 1 0 314.385 3.080 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CCO)C2CCCCC2)c1O ZINC000846143947 631211726 /nfs/dbraw/zinc/21/17/26/631211726.db2.gz BHUMHSUQSKNHBI-CZUORRHYSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c1O ZINC000846143442 631211787 /nfs/dbraw/zinc/21/17/87/631211787.db2.gz BTNFWBKSJXKJCA-VXGBXAGGSA-N 1 0 317.433 3.033 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000846144937 631211824 /nfs/dbraw/zinc/21/18/24/631211824.db2.gz ODWLNABXYFYLIZ-CJNGLKHVSA-N 1 0 317.433 3.363 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000846144978 631211888 /nfs/dbraw/zinc/21/18/88/631211888.db2.gz IXXUFSUTMNONSQ-BHADISHBSA-N 1 0 305.418 3.255 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CN2CCC[C@@H](C)C2)c1O ZINC000846143518 631211962 /nfs/dbraw/zinc/21/19/62/631211962.db2.gz JGHAEFMHUYDTMS-ILXRZTDVSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2C)c1O ZINC000846146989 631212057 /nfs/dbraw/zinc/21/20/57/631212057.db2.gz UBSLOJPYVSKLDM-BBRMVZONSA-N 1 0 301.386 3.093 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccc(C)o1 ZINC000846145582 631212088 /nfs/dbraw/zinc/21/20/88/631212088.db2.gz LSIDBYYFJDMXRN-GXTWGEPZSA-N 1 0 305.374 3.341 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2c(C)noc2C)c1O ZINC000846148397 631212358 /nfs/dbraw/zinc/21/23/58/631212358.db2.gz YSTLKMXTLIOAQE-GHMZBOCLSA-N 1 0 304.390 3.287 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2N(C)C)c1O ZINC000846154374 631212648 /nfs/dbraw/zinc/21/26/48/631212648.db2.gz LHBOPAHBQDCAIJ-ZDUSSCGKSA-N 1 0 300.402 3.318 20 10 DGCDRO COc1cc(F)cc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846158506 631212765 /nfs/dbraw/zinc/21/27/65/631212765.db2.gz HUCNYQCJFGPKDZ-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCCC(C)(C)C2)c1O ZINC000846163908 631212972 /nfs/dbraw/zinc/21/29/72/631212972.db2.gz CIIKNDMMGSOQKP-CQSZACIVSA-N 1 0 306.450 3.173 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c1O ZINC000846167168 631213186 /nfs/dbraw/zinc/21/31/86/631213186.db2.gz HIXPRPOXMICEEY-GDBMZVCRSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c1O ZINC000846166794 631213286 /nfs/dbraw/zinc/21/32/86/631213286.db2.gz PDNKSBHEHVGNBB-UKRRQHHQSA-N 1 0 304.434 3.068 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)c2ccccn2)c1O ZINC000846169678 631213346 /nfs/dbraw/zinc/21/33/46/631213346.db2.gz JYIQERMNMIFKCA-ZDUSSCGKSA-N 1 0 300.402 3.424 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c1O ZINC000846173323 631213457 /nfs/dbraw/zinc/21/34/57/631213457.db2.gz RBNRFVOOALFJGD-SMDDNHRTSA-N 1 0 317.360 3.194 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1O ZINC000846205960 631214678 /nfs/dbraw/zinc/21/46/78/631214678.db2.gz LUSXQWLAYNPKGT-ZIAGYGMSSA-N 1 0 324.424 3.207 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(N2CCCCC2)c(F)c1 ZINC000846209569 631214801 /nfs/dbraw/zinc/21/48/01/631214801.db2.gz SINZHQYXOHHPES-UKRRQHHQSA-N 1 0 312.404 3.187 20 10 DGCDRO CC(C)[N@H+](CCCc1cncn1C)Cc1ccc(N(C)C)cc1 ZINC000846776731 631302308 /nfs/dbraw/zinc/30/23/08/631302308.db2.gz WORCMLWMHRBRHF-UHFFFAOYSA-N 1 0 314.477 3.329 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2noc3ccccc23)c1 ZINC000846844476 631325844 /nfs/dbraw/zinc/32/58/44/631325844.db2.gz NDYYPEJEKFJAHJ-LBPRGKRZSA-N 1 0 312.369 3.435 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nccc(N)n1 ZINC000846894082 631343962 /nfs/dbraw/zinc/34/39/62/631343962.db2.gz PQRRSJRCLJMILB-ZDUSSCGKSA-N 1 0 300.406 3.128 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1CC1CCCC1)[C@@H](O)CO2 ZINC000848505348 631671289 /nfs/dbraw/zinc/67/12/89/631671289.db2.gz IWISAMYOHHWDMJ-QAPCUYQASA-N 1 0 317.429 3.363 20 10 DGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c1O ZINC000848526956 631677838 /nfs/dbraw/zinc/67/78/38/631677838.db2.gz MXEVIKPKYFJZPP-LPEHRKFASA-N 1 0 314.223 3.470 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1cncnc1C ZINC000848552959 631689422 /nfs/dbraw/zinc/68/94/22/631689422.db2.gz GTBAUIXLNMPTOR-HOCLYGCPSA-N 1 0 312.461 3.441 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)c(O)c1 ZINC000848559196 631691631 /nfs/dbraw/zinc/69/16/31/631691631.db2.gz QLOVLAPNQUDHAC-CXAGYDPISA-N 1 0 310.397 3.305 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C ZINC000848565991 631694731 /nfs/dbraw/zinc/69/47/31/631694731.db2.gz OUUSVWCNUXQVFU-ZDUSSCGKSA-N 1 0 323.433 3.104 20 10 DGCDRO C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000848564736 631694849 /nfs/dbraw/zinc/69/48/49/631694849.db2.gz HSDHUHHGJJOLCI-KIUWMYQTSA-N 1 0 318.461 3.333 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Cl)ccc1O ZINC000848570166 631697054 /nfs/dbraw/zinc/69/70/54/631697054.db2.gz KEMYMZLLECJMNL-GXTWGEPZSA-N 1 0 324.808 3.070 20 10 DGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000848884652 631770485 /nfs/dbraw/zinc/77/04/85/631770485.db2.gz JCPWEKHDXGKBEJ-QGZVFWFLSA-N 1 0 318.461 3.083 20 10 DGCDRO CCc1cccc(C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)c1O ZINC000848887338 631771592 /nfs/dbraw/zinc/77/15/92/631771592.db2.gz UAEQPOKHUHCJFY-GOSISDBHSA-N 1 0 315.413 3.129 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(CCC(=O)OC)CC2)c1O ZINC000848886252 631771678 /nfs/dbraw/zinc/77/16/78/631771678.db2.gz YWXWJAOLKAQDOZ-UHFFFAOYSA-N 1 0 305.418 3.120 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000848888295 631773690 /nfs/dbraw/zinc/77/36/90/631773690.db2.gz RGQCKOIQXGLLSD-OAHLLOKOSA-N 1 0 305.418 3.118 20 10 DGCDRO CCc1cccc(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)OC)c1O ZINC000848891372 631774549 /nfs/dbraw/zinc/77/45/49/631774549.db2.gz QDJQIBSPAQXUCW-CRAIPNDOSA-N 1 0 305.418 3.166 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c1O ZINC000848894442 631775714 /nfs/dbraw/zinc/77/57/14/631775714.db2.gz LUBGZMHVESIEAI-SFHVURJKSA-N 1 0 316.420 3.486 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)c1O ZINC000848893118 631775967 /nfs/dbraw/zinc/77/59/67/631775967.db2.gz PZFIFTGRVZQONC-UHFFFAOYSA-N 1 0 324.424 3.371 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1O ZINC000848896147 631776849 /nfs/dbraw/zinc/77/68/49/631776849.db2.gz TUGAKVYBYWYZME-CYBMUJFWSA-N 1 0 324.424 3.324 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)c1O ZINC000848899111 631778360 /nfs/dbraw/zinc/77/83/60/631778360.db2.gz CDXOJKRMACKCPM-QGZVFWFLSA-N 1 0 324.428 3.484 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c1O ZINC000848912273 631784575 /nfs/dbraw/zinc/78/45/75/631784575.db2.gz CZGPRFPSMZBFBR-UHFFFAOYSA-N 1 0 311.429 3.240 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000848925645 631790154 /nfs/dbraw/zinc/79/01/54/631790154.db2.gz ASULSJHWFRUPJJ-OAHLLOKOSA-N 1 0 323.433 3.104 20 10 DGCDRO C[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC000848929670 631791948 /nfs/dbraw/zinc/79/19/48/631791948.db2.gz YDDOSLUMMUBSIY-LLVKDONJSA-N 1 0 316.367 3.117 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350533 631900346 /nfs/dbraw/zinc/90/03/46/631900346.db2.gz PHSNEZKGBNDTSC-CQSZACIVSA-N 1 0 308.853 3.257 20 10 DGCDRO Cc1cc(CC[NH2+]Cc2cnc(C)n2C)c(C)n1-c1ccccc1 ZINC000850014658 632030038 /nfs/dbraw/zinc/03/00/38/632030038.db2.gz MXHQGBXVTFZHSN-UHFFFAOYSA-N 1 0 322.456 3.468 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)Cn2cccn2)c(O)c(C(C)(C)C)c1 ZINC000850028411 632032518 /nfs/dbraw/zinc/03/25/18/632032518.db2.gz PCUFRQJEUYLVOP-CYBMUJFWSA-N 1 0 317.433 3.073 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000850035141 632034111 /nfs/dbraw/zinc/03/41/11/632034111.db2.gz VXGRYZVVNGZXCQ-UHFFFAOYSA-N 1 0 312.461 3.434 20 10 DGCDRO COCc1csc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000850099120 632056479 /nfs/dbraw/zinc/05/64/79/632056479.db2.gz FFARKDUPZRAHIZ-UHFFFAOYSA-N 1 0 308.422 3.389 20 10 DGCDRO Cc1ncc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)n1C ZINC000850128393 632061798 /nfs/dbraw/zinc/06/17/98/632061798.db2.gz ATULUPYJLIQEPR-UHFFFAOYSA-N 1 0 312.461 3.255 20 10 DGCDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850134334 632063162 /nfs/dbraw/zinc/06/31/62/632063162.db2.gz WMOWMVIIHKZRFR-LRDDRELGSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850135905 632064175 /nfs/dbraw/zinc/06/41/75/632064175.db2.gz SIJORGXGLNNFNP-CVEARBPZSA-N 1 0 307.434 3.091 20 10 DGCDRO CCC[C@](C)(CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850139422 632064861 /nfs/dbraw/zinc/06/48/61/632064861.db2.gz OPWIUDFUOATDQU-GOSISDBHSA-N 1 0 309.450 3.339 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850160182 632068513 /nfs/dbraw/zinc/06/85/13/632068513.db2.gz QBOIZMZQKMWFES-QWHCGFSZSA-N 1 0 307.434 3.213 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H](OC)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850167431 632069045 /nfs/dbraw/zinc/06/90/45/632069045.db2.gz FWZLCVCAUNOUNK-MRXNPFEDSA-N 1 0 309.450 3.459 20 10 DGCDRO COc1cc(C[NH2+][C@@H](CO)C2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850308375 632109744 /nfs/dbraw/zinc/10/97/44/632109744.db2.gz YLSFCCDVVWJGHE-KRWDZBQOSA-N 1 0 321.461 3.339 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)CCCCO)c(O)c(C(C)(C)C)c1 ZINC000850314465 632111258 /nfs/dbraw/zinc/11/12/58/632111258.db2.gz USDNFSDMRGAJCY-CYBMUJFWSA-N 1 0 309.450 3.339 20 10 DGCDRO COc1cc(C[NH2+]C[C@H](OC)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850311703 632111387 /nfs/dbraw/zinc/11/13/87/632111387.db2.gz ZBTQYUFTQJRVQP-INIZCTEOSA-N 1 0 307.434 3.213 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3csc(C)c3)C2)cc1 ZINC000850346302 632119809 /nfs/dbraw/zinc/11/98/09/632119809.db2.gz DUBDYJMESHQRRJ-HNNXBMFYSA-N 1 0 302.443 3.434 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cncc(F)c3)C2)cc1 ZINC000850347334 632120700 /nfs/dbraw/zinc/12/07/00/632120700.db2.gz QJWXYMCDMPZMCL-CJNGLKHVSA-N 1 0 315.392 3.159 20 10 DGCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000850373824 632129791 /nfs/dbraw/zinc/12/97/91/632129791.db2.gz SBFAIQPAGYYXBM-MRXNPFEDSA-N 1 0 304.459 3.245 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850377342 632132319 /nfs/dbraw/zinc/13/23/19/632132319.db2.gz FIOUPBCBPJIULW-SJORKVTESA-N 1 0 324.415 3.437 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850380213 632132833 /nfs/dbraw/zinc/13/28/33/632132833.db2.gz QKEBCNFNJJIHBN-VDLFBQIGSA-N 1 0 322.399 3.170 20 10 DGCDRO c1cc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc2c1OCC2 ZINC000850382737 632134356 /nfs/dbraw/zinc/13/43/56/632134356.db2.gz VXEYEKGNZZHQIQ-KRWDZBQOSA-N 1 0 300.446 3.118 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1C ZINC000850384867 632134914 /nfs/dbraw/zinc/13/49/14/632134914.db2.gz SFRWYEAGBAEOGG-FUHWJXTLSA-N 1 0 313.445 3.244 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2c(C3CCC3)cnn2C)c1O ZINC000850391796 632136883 /nfs/dbraw/zinc/13/68/83/632136883.db2.gz ZXDDEZFFXXAETG-UHFFFAOYSA-N 1 0 315.417 3.082 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)ccc1N1CCCCC1 ZINC000850393902 632138029 /nfs/dbraw/zinc/13/80/29/632138029.db2.gz YDNAMPSTSMCQNF-HWWDLCQESA-N 1 0 315.417 3.473 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)c2nccn2C)c(O)c(C(C)(C)C)c1 ZINC000850410394 632143321 /nfs/dbraw/zinc/14/33/21/632143321.db2.gz SWAWRFOTJNHXGU-GFCCVEGCSA-N 1 0 317.433 3.283 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(O)c1 ZINC000850409751 632143337 /nfs/dbraw/zinc/14/33/37/632143337.db2.gz ZXNLGRYLDVXFFD-NZSAHSFTSA-N 1 0 313.372 3.358 20 10 DGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000850412058 632144511 /nfs/dbraw/zinc/14/45/11/632144511.db2.gz SIPPYJTWBFXZSJ-SJKOYZFVSA-N 1 0 305.805 3.300 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1F ZINC000850433382 632151606 /nfs/dbraw/zinc/15/16/06/632151606.db2.gz LTPGNYVQFKKPKE-MRXNPFEDSA-N 1 0 316.424 3.493 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)Cc3ccoc3)C2)cc1 ZINC000850486477 632167716 /nfs/dbraw/zinc/16/77/16/632167716.db2.gz HRLIMUHUDFUBTM-GDBMZVCRSA-N 1 0 300.402 3.088 20 10 DGCDRO CCOC1CCC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850486525 632167742 /nfs/dbraw/zinc/16/77/42/632167742.db2.gz ISKMYBNIKRUPLR-WUJZJPHMSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cnc(C)s3)C2)cc1 ZINC000850487628 632167801 /nfs/dbraw/zinc/16/78/01/632167801.db2.gz IQGMITYWVDROKZ-JSGCOSHPSA-N 1 0 317.458 3.390 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3nccs3)C2)cc1 ZINC000850489260 632168442 /nfs/dbraw/zinc/16/84/42/632168442.db2.gz SFYUASBAFQTKKX-STQMWFEESA-N 1 0 303.431 3.081 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C1CCOCC1 ZINC000850493366 632170790 /nfs/dbraw/zinc/17/07/90/632170790.db2.gz GKIHZMSKHAWZAZ-XHDPSFHLSA-N 1 0 313.825 3.138 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cc2c(cc1O)CCCC2 ZINC000850499604 632172388 /nfs/dbraw/zinc/17/23/88/632172388.db2.gz SPWWDTMQZUGBQJ-BFQNTYOBSA-N 1 0 312.417 3.219 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c(O)c1C ZINC000850502774 632173285 /nfs/dbraw/zinc/17/32/85/632173285.db2.gz ZHIIKMTWJPDMJA-WMLDXEAASA-N 1 0 324.424 3.247 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000850516117 632177543 /nfs/dbraw/zinc/17/75/43/632177543.db2.gz JRWHKVRGMLHTQK-HOTGVXAUSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc2c(cc1O)CCCC2 ZINC000850520879 632178369 /nfs/dbraw/zinc/17/83/69/632178369.db2.gz HXRQIGCBCCQEEW-BZNIZROVSA-N 1 0 311.372 3.346 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CN2CCC(C)CC2)c1O ZINC000850543565 632188286 /nfs/dbraw/zinc/18/82/86/632188286.db2.gz MHCVOBAGGMERJY-LSDHHAIUSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC2(O)CCC(C)(C)CC2)c1O ZINC000850551396 632190067 /nfs/dbraw/zinc/19/00/67/632190067.db2.gz HRYXKKKVYQJRTH-ZDUSSCGKSA-N 1 0 307.434 3.383 20 10 DGCDRO CNC(=O)CC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCCCC1 ZINC000850557034 632192765 /nfs/dbraw/zinc/19/27/65/632192765.db2.gz VDCSGRWRUKDWDD-CYBMUJFWSA-N 1 0 322.424 3.269 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCC4)cc2)CC1 ZINC000850568353 632196552 /nfs/dbraw/zinc/19/65/52/632196552.db2.gz WCEHBBRSYGIXAU-LJQANCHMSA-N 1 0 314.473 3.460 20 10 DGCDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567922 632196565 /nfs/dbraw/zinc/19/65/65/632196565.db2.gz MFABOQCDKKMWLM-OAHLLOKOSA-N 1 0 302.462 3.316 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000850568469 632196649 /nfs/dbraw/zinc/19/66/49/632196649.db2.gz YGSULQQUESMBKE-UXHICEINSA-N 1 0 314.473 3.316 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)CC1 ZINC000850568374 632196763 /nfs/dbraw/zinc/19/67/63/632196763.db2.gz WNDGRQKPUNUQMP-FQEVSTJZSA-N 1 0 314.473 3.316 20 10 DGCDRO C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cc(F)ccc1O ZINC000850572093 632198478 /nfs/dbraw/zinc/19/84/78/632198478.db2.gz AFNKFFBYDJYLRC-LBPRGKRZSA-N 1 0 308.397 3.008 20 10 DGCDRO C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1[O-] ZINC000850583756 632201854 /nfs/dbraw/zinc/20/18/54/632201854.db2.gz OTVWAHNWVVKFLT-ZDUSSCGKSA-N 1 0 306.425 3.304 20 10 DGCDRO CC(C)[N@H+](CCO[C@H]1CC1(F)F)Cc1ccc(N(C)C)cc1 ZINC000851732257 632478161 /nfs/dbraw/zinc/47/81/61/632478161.db2.gz NCGSITARHDPFQH-INIZCTEOSA-N 1 0 312.404 3.387 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(C3CC3)no2)cc1 ZINC000852211874 632572219 /nfs/dbraw/zinc/57/22/19/632572219.db2.gz QFBCDUXHTGZLDW-UHFFFAOYSA-N 1 0 315.417 3.129 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc2ccccc2c1O ZINC000184862155 660192012 /nfs/dbraw/zinc/19/20/12/660192012.db2.gz ACKSHHDCMBKARR-ZDUSSCGKSA-N 1 0 320.392 3.495 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000184896829 660194401 /nfs/dbraw/zinc/19/44/01/660194401.db2.gz DBFVMEOOQMCXOW-GFCCVEGCSA-N 1 0 315.369 3.023 20 10 DGCDRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc2ccccc2c1O ZINC000184917156 660195036 /nfs/dbraw/zinc/19/50/36/660195036.db2.gz WWOBQBBESPFWRR-CYBMUJFWSA-N 1 0 324.380 3.219 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](c1ccccc1)N(C)C ZINC000185678876 660236467 /nfs/dbraw/zinc/23/64/67/660236467.db2.gz VOVAQOYIVXMHTK-FOIQADDNSA-N 1 0 310.441 3.403 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)CC2CCCCC2)c(O)c1 ZINC000186033210 660262099 /nfs/dbraw/zinc/26/20/99/660262099.db2.gz ULQCDTKAOUTWJA-OAHLLOKOSA-N 1 0 318.461 3.438 20 10 DGCDRO C[NH+](C)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000091669362 660449648 /nfs/dbraw/zinc/44/96/48/660449648.db2.gz FDUBZCHZAIECLY-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000186763004 660573520 /nfs/dbraw/zinc/57/35/20/660573520.db2.gz BEWXPRZKBXPIBL-NWDGAFQWSA-N 1 0 324.396 3.049 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCCSC1 ZINC000706821282 660873970 /nfs/dbraw/zinc/87/39/70/660873970.db2.gz ATMMVIRVLZBDNV-SNVBAGLBSA-N 1 0 316.264 3.388 20 10 DGCDRO CO[C@](C)(C[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706885022 660879481 /nfs/dbraw/zinc/87/94/81/660879481.db2.gz OFQQIVYYQMKHTH-CQSZACIVSA-N 1 0 314.223 3.059 20 10 DGCDRO COC(C)(C)CC[NH2+]Cc1cc(Br)ccc1O ZINC000711869076 660964552 /nfs/dbraw/zinc/96/45/52/660964552.db2.gz HRZZMYXCBPVPTG-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792896812 660992126 /nfs/dbraw/zinc/99/21/26/660992126.db2.gz FMVWFZDAYDQJKU-CQSZACIVSA-N 1 0 304.356 3.022 20 10 DGCDRO COC[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792942701 660996201 /nfs/dbraw/zinc/99/62/01/660996201.db2.gz MJNCKPNRIYFMAI-LLVKDONJSA-N 1 0 304.356 3.144 20 10 DGCDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792985543 660998749 /nfs/dbraw/zinc/99/87/49/660998749.db2.gz ZPSBRNDPKAYNNC-OAHLLOKOSA-N 1 0 318.383 3.412 20 10 DGCDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792993914 660999251 /nfs/dbraw/zinc/99/92/51/660999251.db2.gz ZUPWOGDFMAQBIZ-CQSZACIVSA-N 1 0 318.383 3.412 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCCCCCO)c(C(F)(F)F)c1 ZINC000793041594 661001422 /nfs/dbraw/zinc/00/14/22/661001422.db2.gz NCJPSMWALYSTTQ-UHFFFAOYSA-N 1 0 318.383 3.414 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@](C)(CO)C2CC2)c(C(F)(F)F)c1 ZINC000793051276 661002006 /nfs/dbraw/zinc/00/20/06/661002006.db2.gz MNOKYQRUKLVEEV-HNNXBMFYSA-N 1 0 316.367 3.022 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)c(O)c1 ZINC000793388073 661029074 /nfs/dbraw/zinc/02/90/74/661029074.db2.gz KKVCICIWLIXBGQ-UHFFFAOYSA-N 1 0 317.433 3.259 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(F)c3cccnc23)c(O)c1 ZINC000793388061 661029080 /nfs/dbraw/zinc/02/90/80/661029080.db2.gz KCODWTXLVRBKRK-UHFFFAOYSA-N 1 0 312.344 3.378 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)c(O)c1 ZINC000793387602 661029166 /nfs/dbraw/zinc/02/91/66/661029166.db2.gz IIXAMLCTMLWABP-UHFFFAOYSA-N 1 0 309.369 3.081 20 10 DGCDRO Fc1cc(C[N@H+](CC2CC2)C2CCC2)ccc1N1CCOCC1 ZINC000793396704 661029906 /nfs/dbraw/zinc/02/99/06/661029906.db2.gz YDSZWUPXAQJYKZ-UHFFFAOYSA-N 1 0 318.436 3.427 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C2CC2)O1 ZINC000794652141 661096331 /nfs/dbraw/zinc/09/63/31/661096331.db2.gz IEPWUUZXDXWZRQ-SJKOYZFVSA-N 1 0 319.445 3.395 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000794659147 661096598 /nfs/dbraw/zinc/09/65/98/661096598.db2.gz LMHBKJYFTMOUQX-ZYHUDNBSSA-N 1 0 303.324 3.482 20 10 DGCDRO C[N@H+](CCC(=O)N1CCCc2ccccc21)Cc1ccccc1O ZINC000794561969 661091399 /nfs/dbraw/zinc/09/13/99/661091399.db2.gz XANKAGVDNIEABY-UHFFFAOYSA-N 1 0 324.424 3.194 20 10 DGCDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000794797885 661105631 /nfs/dbraw/zinc/10/56/31/661105631.db2.gz QUPZEFOCRINMGT-SFHVURJKSA-N 1 0 310.445 3.188 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1ccc(C)cc1O ZINC000794794942 661105719 /nfs/dbraw/zinc/10/57/19/661105719.db2.gz SYZUJUUJCJJKDM-MSOLQXFVSA-N 1 0 320.477 3.098 20 10 DGCDRO Cn1nccc1C1=CC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000795656585 661165734 /nfs/dbraw/zinc/16/57/34/661165734.db2.gz MCQAWCFNMQZABW-UHFFFAOYSA-N 1 0 323.440 3.294 20 10 DGCDRO C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc2c(cc1O)CCC2 ZINC000795694243 661168222 /nfs/dbraw/zinc/16/82/22/661168222.db2.gz OSAAHCFVSUVOIY-MEBBXXQBSA-N 1 0 315.335 3.033 20 10 DGCDRO CO[C@H](C)C[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000795752493 661171641 /nfs/dbraw/zinc/17/16/41/661171641.db2.gz TVPBNMLAICPNBZ-GFCCVEGCSA-N 1 0 303.402 3.484 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000798005705 661187249 /nfs/dbraw/zinc/18/72/49/661187249.db2.gz YRGNKTKLZZVZNC-ZOCIIQOWSA-N 1 0 300.446 3.362 20 10 DGCDRO CCC(C)(C)OCC[NH2+]Cc1cc(Br)ccc1O ZINC000308762909 655744874 /nfs/dbraw/zinc/74/48/74/655744874.db2.gz YYOFQQQZMOYOJV-UHFFFAOYSA-N 1 0 316.239 3.450 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1O ZINC000309724043 655879498 /nfs/dbraw/zinc/87/94/98/655879498.db2.gz MZVAMLSBTNOMES-VQIMIIECSA-N 1 0 310.441 3.453 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000179582826 655909186 /nfs/dbraw/zinc/90/91/86/655909186.db2.gz ZPZHJEANIBXIGH-KRWDZBQOSA-N 1 0 310.441 3.489 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000715146625 661208594 /nfs/dbraw/zinc/20/85/94/661208594.db2.gz OKWIASASWIMLBA-MELADBBJSA-N 1 0 320.433 3.346 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)CC2 ZINC000716235159 661220100 /nfs/dbraw/zinc/22/01/00/661220100.db2.gz AQBDXASHHYOYIV-ZWKOTPCHSA-N 1 0 308.425 3.244 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1O ZINC000716299086 661221684 /nfs/dbraw/zinc/22/16/84/661221684.db2.gz RDEWSKPDHMIXNR-LJQANCHMSA-N 1 0 310.441 3.319 20 10 DGCDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000191567319 656170679 /nfs/dbraw/zinc/17/06/79/656170679.db2.gz OQKHJLIHKYHOAO-VQIMIIECSA-N 1 0 312.457 3.315 20 10 DGCDRO COCC(C)(C)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000311120119 656172424 /nfs/dbraw/zinc/17/24/24/656172424.db2.gz UGLHPWNZUICFIT-UHFFFAOYSA-N 1 0 316.239 3.320 20 10 DGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000313451554 656282036 /nfs/dbraw/zinc/28/20/36/656282036.db2.gz RXNLHDUUQLXBLM-OAHLLOKOSA-N 1 0 309.381 3.125 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C(C)C)C2)cc1C ZINC000980921091 656596484 /nfs/dbraw/zinc/59/64/84/656596484.db2.gz GZOMYRXVOKJTMQ-SJORKVTESA-N 1 0 318.461 3.177 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)C)[C@@H](C)C2)cc1C ZINC001044472367 656928385 /nfs/dbraw/zinc/92/83/85/656928385.db2.gz URKHBPDQWSAONC-RDJZCZTQSA-N 1 0 318.461 3.129 20 10 DGCDRO COc1cc(C[N@H+]2CCC[C@@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC000178886599 657096796 /nfs/dbraw/zinc/09/67/96/657096796.db2.gz AJTWTLOHVHHZQC-CQSZACIVSA-N 1 0 307.434 3.309 20 10 DGCDRO CCC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001029030981 657276686 /nfs/dbraw/zinc/27/66/86/657276686.db2.gz HYGLBAVPSWMJII-HNNXBMFYSA-N 1 0 318.461 3.130 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667789 657606616 /nfs/dbraw/zinc/60/66/16/657606616.db2.gz NYMJNZBFCOPNNC-STQMWFEESA-N 1 0 315.244 3.415 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)C ZINC000305162904 657721570 /nfs/dbraw/zinc/72/15/70/657721570.db2.gz XOEQTSNTGXXLFB-CYBMUJFWSA-N 1 0 308.441 3.311 20 10 DGCDRO Cc1csc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000029583265 657888005 /nfs/dbraw/zinc/88/80/05/657888005.db2.gz NZDQBLBDXFCUSD-UHFFFAOYSA-N 1 0 317.458 3.096 20 10 DGCDRO COc1cc(Cl)cc(CNCC[NH+](C(C)C)C(C)C)c1O ZINC000228668651 657999895 /nfs/dbraw/zinc/99/98/95/657999895.db2.gz OPSCIOIYZNCWFE-UHFFFAOYSA-N 1 0 314.857 3.263 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)c1 ZINC000305779199 658042744 /nfs/dbraw/zinc/04/27/44/658042744.db2.gz RKIGPVSGZJLSCR-APPDUMDISA-N 1 0 321.804 3.438 20 10 DGCDRO C[NH2+]CCN(C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000237344920 658335309 /nfs/dbraw/zinc/33/53/09/658335309.db2.gz GBNLCSMIHBOOQF-UHFFFAOYSA-N 1 0 319.836 3.039 20 10 DGCDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](CC)C1 ZINC001037758909 658342177 /nfs/dbraw/zinc/34/21/77/658342177.db2.gz KZOHLNFUYNBICD-IRXDYDNUSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccccc3)C2)cc1C ZINC001018433230 658552171 /nfs/dbraw/zinc/55/21/71/658552171.db2.gz CLDHFNDWJNRTFH-SFHVURJKSA-N 1 0 324.424 3.008 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccccc3)C2)cc1C ZINC001019946590 658684474 /nfs/dbraw/zinc/68/44/74/658684474.db2.gz HNFSHNHOTCATCH-IYARVYRRSA-N 1 0 324.424 3.054 20 10 DGCDRO C/C=C(/C)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000990878989 658774727 /nfs/dbraw/zinc/77/47/27/658774727.db2.gz AKYCWHAOWIMXME-RZNTYIFUSA-N 1 0 316.445 3.050 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1O ZINC000155676711 658839984 /nfs/dbraw/zinc/83/99/84/658839984.db2.gz VOABVUDUXGOIBP-KRWDZBQOSA-N 1 0 308.385 3.214 20 10 DGCDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000165197950 658969946 /nfs/dbraw/zinc/96/99/46/658969946.db2.gz PROUBZSFFBNMOQ-NSHDSACASA-N 1 0 320.330 3.093 20 10 DGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000157455464 659063713 /nfs/dbraw/zinc/06/37/13/659063713.db2.gz LGZYDIDSMBXWLL-MRXNPFEDSA-N 1 0 306.425 3.427 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000226648206 659133677 /nfs/dbraw/zinc/13/36/77/659133677.db2.gz FGSDULBAYMOMLP-OAHLLOKOSA-N 1 0 320.433 3.190 20 10 DGCDRO CCCCOCC[NH2+]Cc1cc(Br)ccc1O ZINC000227441909 659154878 /nfs/dbraw/zinc/15/48/78/659154878.db2.gz XEZVGHSKERPGAM-UHFFFAOYSA-N 1 0 302.212 3.061 20 10 DGCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000324320315 659656069 /nfs/dbraw/zinc/65/60/69/659656069.db2.gz UMCXEFFQYVRHSZ-SFHVURJKSA-N 1 0 317.477 3.009 20 10 DGCDRO CC(C)CCOC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000193407814 659694816 /nfs/dbraw/zinc/69/48/16/659694816.db2.gz FOCNFPXONHQFIU-UHFFFAOYSA-N 1 0 321.417 3.148 20 10 DGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(OC)ccc1O ZINC000179604624 659934918 /nfs/dbraw/zinc/93/49/18/659934918.db2.gz XNFVABWPUSXYRS-UHFFFAOYSA-N 1 0 315.369 3.152 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000179926360 659946991 /nfs/dbraw/zinc/94/69/91/659946991.db2.gz VOWNGJABMUENQF-AWEZNQCLSA-N 1 0 320.433 3.047 20 10 DGCDRO OCC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCCc2ccccc21 ZINC000180153129 659953450 /nfs/dbraw/zinc/95/34/50/659953450.db2.gz MHLQTQGXNAQOIJ-GOSISDBHSA-N 1 0 315.388 3.403 20 10 DGCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180776896 659970611 /nfs/dbraw/zinc/97/06/11/659970611.db2.gz OMZAZBNOQRETEN-HNNXBMFYSA-N 1 0 305.418 3.256 20 10 DGCDRO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000182336896 660044940 /nfs/dbraw/zinc/04/49/40/660044940.db2.gz OQVFJAWIBYLILS-NSHDSACASA-N 1 0 319.357 3.021 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC)c1 ZINC000182405429 660051464 /nfs/dbraw/zinc/05/14/64/660051464.db2.gz XMAPEOUKQYIUHT-LBPRGKRZSA-N 1 0 312.369 3.132 20 10 DGCDRO CCOc1cccc(CN(CCC[NH3+])c2cccc(F)c2)c1O ZINC000183222369 660105265 /nfs/dbraw/zinc/10/52/65/660105265.db2.gz MOQNKDOFMHMNEP-UHFFFAOYSA-N 1 0 318.392 3.285 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000183633802 660128108 /nfs/dbraw/zinc/12/81/08/660128108.db2.gz JJXAZJNFMUQFJJ-DOMZBBRYSA-N 1 0 320.433 3.346 20 10 DGCDRO Cc1oc2ccccc2c1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000183913324 660146971 /nfs/dbraw/zinc/14/69/71/660146971.db2.gz HZEFDCFIFQHONV-UHFFFAOYSA-N 1 0 311.337 3.465 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC(O)(C3CCC3)CC2)cc1 ZINC000932818987 661599000 /nfs/dbraw/zinc/59/90/00/661599000.db2.gz KXXBODMZPJSWOL-UHFFFAOYSA-N 1 0 302.462 3.270 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc[nH]n1)c1cc(Br)ccc1O ZINC000041014220 661833254 /nfs/dbraw/zinc/83/32/54/661833254.db2.gz XSMTVYCILCFKGP-GFCCVEGCSA-N 1 0 310.195 3.119 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1COc2c(cccc2OC)C1)c1ccccc1O ZINC000155623420 661849850 /nfs/dbraw/zinc/84/98/50/661849850.db2.gz QLXNUTQRWNHGIR-GDBMZVCRSA-N 1 0 313.397 3.445 20 10 DGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(C)cc1O)CC2 ZINC000159930873 661898190 /nfs/dbraw/zinc/89/81/90/661898190.db2.gz MCLCLEMNYXWNEP-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO CCOC[C@@H]([NH2+]Cc1cc(Br)ccc1O)C(C)C ZINC000188864083 661949570 /nfs/dbraw/zinc/94/95/70/661949570.db2.gz ARZDEYPXFCCRDA-CYBMUJFWSA-N 1 0 316.239 3.305 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)CC1 ZINC000076275585 661976741 /nfs/dbraw/zinc/97/67/41/661976741.db2.gz MTZBZEQSYBROJL-UHFFFAOYSA-N 1 0 314.404 3.077 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(F)cc3)C2)cc1 ZINC000076361084 661979462 /nfs/dbraw/zinc/97/94/62/661979462.db2.gz DZGNCUZVZCFQRN-MRXNPFEDSA-N 1 0 314.404 3.450 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(F)cc3)C2)cc1 ZINC000076361089 661979496 /nfs/dbraw/zinc/97/94/96/661979496.db2.gz DZGNCUZVZCFQRN-INIZCTEOSA-N 1 0 314.404 3.450 20 10 DGCDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000191957163 662084426 /nfs/dbraw/zinc/08/44/26/662084426.db2.gz UMNQZWLNBOUHBB-IBGZPJMESA-N 1 0 302.462 3.414 20 10 DGCDRO CC[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000192873285 662113525 /nfs/dbraw/zinc/11/35/25/662113525.db2.gz CZTRUBARNKFUCP-INIZCTEOSA-N 1 0 313.397 3.447 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000192958022 662117583 /nfs/dbraw/zinc/11/75/83/662117583.db2.gz YNEHRASEEUGMDO-CYBMUJFWSA-N 1 0 308.422 3.012 20 10 DGCDRO CN(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000083551419 662195463 /nfs/dbraw/zinc/19/54/63/662195463.db2.gz IYWACTWWRAOPIX-MRXNPFEDSA-N 1 0 304.821 3.438 20 10 DGCDRO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)Cc1ccccc1O ZINC000245809124 662241999 /nfs/dbraw/zinc/24/19/99/662241999.db2.gz NQPNQRHRBYQKHV-AESZEHBQSA-N 1 0 318.461 3.153 20 10 DGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000090404240 662262112 /nfs/dbraw/zinc/26/21/12/662262112.db2.gz XRVFMHRXSGNRLZ-ZDUSSCGKSA-N 1 0 317.458 3.139 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)cc1O ZINC000092404976 662330422 /nfs/dbraw/zinc/33/04/22/662330422.db2.gz XMERWZLBZGDDFB-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO Cc1cc(C(=O)NCCC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000248054700 662332862 /nfs/dbraw/zinc/33/28/62/662332862.db2.gz XYRHZWHPIGEOSU-UHFFFAOYSA-N 1 0 313.445 3.084 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CCCC1 ZINC000092667292 662333615 /nfs/dbraw/zinc/33/36/15/662333615.db2.gz TVDHFBIBHXDTKW-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683575 662358081 /nfs/dbraw/zinc/35/80/81/662358081.db2.gz DLXIXOVNXNLOAW-CQSZACIVSA-N 1 0 308.853 3.353 20 10 DGCDRO CCOC[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000093839102 662360396 /nfs/dbraw/zinc/36/03/96/662360396.db2.gz NFTPUEXGGYTKRM-LLVKDONJSA-N 1 0 314.223 3.013 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1CCCOC1 ZINC000389098029 685192254 /nfs/dbraw/zinc/19/22/54/685192254.db2.gz RCHFZDYDJLMFBQ-GHMZBOCLSA-N 1 0 314.223 3.059 20 10 DGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N(C)Cc1ccccc1 ZINC000390563189 685203007 /nfs/dbraw/zinc/20/30/07/685203007.db2.gz NOAYFQGKWSPEIF-CRAIPNDOSA-N 1 0 310.441 3.490 20 10 DGCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N(C)Cc1ccccc1 ZINC000390563191 685203319 /nfs/dbraw/zinc/20/33/19/685203319.db2.gz NOAYFQGKWSPEIF-QAPCUYQASA-N 1 0 310.441 3.490 20 10 DGCDRO CCN(CC[NH2+][C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000390816919 685206357 /nfs/dbraw/zinc/20/63/57/685206357.db2.gz NAASPDNYEHRKSR-CQSZACIVSA-N 1 0 320.433 3.226 20 10 DGCDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000394493609 685221882 /nfs/dbraw/zinc/22/18/82/685221882.db2.gz SMSUSTMHQGLADX-UHFFFAOYSA-N 1 0 324.852 3.172 20 10 DGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-])CC[NH2+]CC2 ZINC001576636662 1191856336 /nfs/dbraw/zinc/85/63/36/1191856336.db2.gz FSIDUXUXFVQVGT-LLVKDONJSA-N 1 0 312.816 3.149 20 10 DGCDRO CCOC(=O)[C@@H](c1ccccc1)N1CCCc2cc(C[NH3+])ccc21 ZINC001577925593 1191918823 /nfs/dbraw/zinc/91/88/23/1191918823.db2.gz LOYFEFHOVHZTDU-LJQANCHMSA-N 1 0 324.424 3.202 20 10 DGCDRO CCc1cccc(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c1O ZINC001578266719 1191935599 /nfs/dbraw/zinc/93/55/99/1191935599.db2.gz PSRCDSYFTNPIOL-WFASDCNBSA-N 1 0 316.367 3.056 20 10 DGCDRO CCc1ccccc1[C@H](N)C[NH2+]Cc1c(O)cccc1Cl ZINC001578275384 1191936590 /nfs/dbraw/zinc/93/65/90/1191936590.db2.gz KSDADQDLYYZCDM-MRXNPFEDSA-N 1 0 304.821 3.398 20 10 DGCDRO Cc1cc(CN2CC[C@@]23CCC[NH2+]C3)ccc1N1CCCCC1 ZINC001579598254 1191981942 /nfs/dbraw/zinc/98/19/42/1191981942.db2.gz LMGRVQCBCGWLKG-HXUWFJFHSA-N 1 0 313.489 3.313 20 10 DGCDRO Cc1cc(C(=O)CSCC[NH3+])c(C)n1-c1ccc(C)c(F)c1 ZINC001579655686 1191984752 /nfs/dbraw/zinc/98/47/52/1191984752.db2.gz INEHJGVXGNGDSH-UHFFFAOYSA-N 1 0 320.433 3.416 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001579674198 1191985672 /nfs/dbraw/zinc/98/56/72/1191985672.db2.gz OGAJLNNIGCYVEV-QAQDUYKDSA-N 1 0 311.429 3.094 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001579673630 1191985811 /nfs/dbraw/zinc/98/58/11/1191985811.db2.gz AFVZIBASLKJTNG-FZMZJTMJSA-N 1 0 317.458 3.026 20 10 DGCDRO [NH3+][C@H]1CC=C(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)C1 ZINC001580171586 1192011716 /nfs/dbraw/zinc/01/17/16/1192011716.db2.gz UCEUYCWSAAGSGR-SFHVURJKSA-N 1 0 322.383 3.429 20 10 DGCDRO [NH3+]Cc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1 ZINC001580340079 1192022206 /nfs/dbraw/zinc/02/22/06/1192022206.db2.gz MEINGTNLOWKTBK-UHFFFAOYSA-N 1 0 314.366 3.024 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2ccc(C)nc2)ccc1OC ZINC001620797353 1192036503 /nfs/dbraw/zinc/03/65/03/1192036503.db2.gz UHSZCKBVIXLTOW-UHFFFAOYSA-N 1 0 314.429 3.267 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCCC(=O)OC(C)(C)C)cc1 ZINC001620644499 1192055899 /nfs/dbraw/zinc/05/58/99/1192055899.db2.gz NGFNNPBVQYDGQO-UHFFFAOYSA-N 1 0 306.450 3.306 20 10 DGCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001620854457 1192461010 /nfs/dbraw/zinc/46/10/10/1192461010.db2.gz HYYWWPPMIMEHMG-HXUWFJFHSA-N 1 0 310.441 3.418 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c(O)c1C ZINC001592136027 1192596024 /nfs/dbraw/zinc/59/60/24/1192596024.db2.gz QWGYQKZQLKQHHL-CYBMUJFWSA-N 1 0 323.400 3.040 20 10 DGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cc(C)cc(OC)c1O)C(C)C ZINC001621274412 1192602435 /nfs/dbraw/zinc/60/24/35/1192602435.db2.gz GBXFSJUEWQIMAO-SFHVURJKSA-N 1 0 323.433 3.167 20 10 DGCDRO C[C@@H]1CC([NH2+]Cc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000128751859 1176060056 /nfs/dbraw/zinc/06/00/56/1176060056.db2.gz BNKUIQPJOSACDW-NXEZZACHSA-N 1 0 314.223 3.200 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC001621002502 1192779202 /nfs/dbraw/zinc/77/92/02/1192779202.db2.gz YJMNFYIBZFUTKF-HLFMIMNKSA-N 1 0 318.486 3.266 20 10 DGCDRO CCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000110935846 1177875690 /nfs/dbraw/zinc/87/56/90/1177875690.db2.gz UIJFHALMSKLOCX-GFCCVEGCSA-N 1 0 303.233 3.273 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCC(=O)NC(C)(C)C ZINC000388550265 1178073682 /nfs/dbraw/zinc/07/36/82/1178073682.db2.gz FRAAQRYNNNDKLJ-QWHCGFSZSA-N 1 0 304.434 3.143 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1F ZINC001331496665 1178226795 /nfs/dbraw/zinc/22/67/95/1178226795.db2.gz DAFMVCJAYJGWEA-MJEQTWJJSA-N 1 0 310.388 3.078 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCC23CCOCC3)cc1F ZINC001331521733 1178233293 /nfs/dbraw/zinc/23/32/93/1178233293.db2.gz XTDGWLUBWUSLLL-KRWDZBQOSA-N 1 0 324.415 3.470 20 10 DGCDRO OCC[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001331538996 1178240226 /nfs/dbraw/zinc/24/02/26/1178240226.db2.gz JBJVGCSTBVQUOU-KRWDZBQOSA-N 1 0 302.462 3.271 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCC23OCCO3)cc1F ZINC001621020739 1192869497 /nfs/dbraw/zinc/86/94/97/1192869497.db2.gz QOLZEAYJTADRPW-KRWDZBQOSA-N 1 0 322.424 3.057 20 10 DGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001331985065 1178327896 /nfs/dbraw/zinc/32/78/96/1178327896.db2.gz VMAXFNRSTOCVMV-CRWXNKLISA-N 1 0 303.402 3.180 20 10 DGCDRO O[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001335132036 1178858475 /nfs/dbraw/zinc/85/84/75/1178858475.db2.gz JITVSNHPFGWAOO-IEBWSBKVSA-N 1 0 302.462 3.318 20 10 DGCDRO Nc1ccc(C[NH2+]CCc2ccccc2OC(F)(F)F)cc1 ZINC001336118625 1178995118 /nfs/dbraw/zinc/99/51/18/1178995118.db2.gz YWBXPJDPWBKILL-UHFFFAOYSA-N 1 0 310.319 3.500 20 10 DGCDRO CCCC[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001341537646 1179025120 /nfs/dbraw/zinc/02/51/20/1179025120.db2.gz HRQTWDRZVHCTCJ-UHFFFAOYSA-N 1 0 319.468 3.342 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCS[C@H](C)C2)c1O ZINC001343288366 1179252208 /nfs/dbraw/zinc/25/22/08/1179252208.db2.gz UHDJSXKTTHWPMH-BXKDBHETSA-N 1 0 301.839 3.428 20 10 DGCDRO C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC001343335253 1179257653 /nfs/dbraw/zinc/25/76/53/1179257653.db2.gz WLRVMTGTVHTLJN-BFHYXJOUSA-N 1 0 308.853 3.208 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H](C2CC2)O1 ZINC001344378770 1179423715 /nfs/dbraw/zinc/42/37/15/1179423715.db2.gz VNAFIBIGFBOXDB-BEFAXECRSA-N 1 0 300.446 3.286 20 10 DGCDRO COc1ccc(CCC[NH2+]Cc2ccc(N)cc2)cc1OC ZINC001345159102 1179535490 /nfs/dbraw/zinc/53/54/90/1179535490.db2.gz BGWWBTGWYCVSBV-UHFFFAOYSA-N 1 0 300.402 3.008 20 10 DGCDRO Nc1ccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cc1 ZINC001345159462 1179535745 /nfs/dbraw/zinc/53/57/45/1179535745.db2.gz HAALOTOYBTVMNE-UHFFFAOYSA-N 1 0 306.413 3.072 20 10 DGCDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001345639433 1179584080 /nfs/dbraw/zinc/58/40/80/1179584080.db2.gz SXSAHHDDASCKIL-RDBSUJKOSA-N 1 0 310.869 3.435 20 10 DGCDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001345639432 1179584472 /nfs/dbraw/zinc/58/44/72/1179584472.db2.gz SXSAHHDDASCKIL-MGPQQGTHSA-N 1 0 310.869 3.435 20 10 DGCDRO COc1cc([C@H](C)[NH2+]CCCSc2nccs2)ccn1 ZINC001349839615 1179961784 /nfs/dbraw/zinc/96/17/84/1179961784.db2.gz MDTJNLPERWWOAJ-NSHDSACASA-N 1 0 309.460 3.380 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3nccs3)C2)c1O ZINC001350292784 1180046844 /nfs/dbraw/zinc/04/68/44/1180046844.db2.gz CVLROLHYOZFHHJ-LBPRGKRZSA-N 1 0 304.415 3.155 20 10 DGCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC001621319063 1193023622 /nfs/dbraw/zinc/02/36/22/1193023622.db2.gz VXKOAIJVGIDJII-INIZCTEOSA-N 1 0 320.433 3.191 20 10 DGCDRO CC[C@@](O)(C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC001352739368 1180390289 /nfs/dbraw/zinc/39/02/89/1180390289.db2.gz DJBLZDAEECWOKH-BXUZGUMPSA-N 1 0 304.356 3.107 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+]Cc1c(C)c2ccccc2n1C ZINC001200127715 1180394948 /nfs/dbraw/zinc/39/49/48/1180394948.db2.gz YRWFPGXOFJNCNF-UHFFFAOYSA-N 1 0 315.461 3.225 20 10 DGCDRO Nc1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cc1 ZINC001352791124 1180400395 /nfs/dbraw/zinc/40/03/95/1180400395.db2.gz VPIWTBHXVVQSBP-QGZVFWFLSA-N 1 0 301.821 3.069 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC001356083536 1181139093 /nfs/dbraw/zinc/13/90/93/1181139093.db2.gz RNMOPNQNOYLXJG-KRWDZBQOSA-N 1 0 310.397 3.377 20 10 DGCDRO COc1cc(C)c(C[NH2+]CCCc2cccc(C)n2)c(O)c1 ZINC001621323654 1193078060 /nfs/dbraw/zinc/07/80/60/1193078060.db2.gz MARZORVEVMOWGY-UHFFFAOYSA-N 1 0 300.402 3.135 20 10 DGCDRO OC[C@@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCCc2ccccc21 ZINC001474122958 1181582391 /nfs/dbraw/zinc/58/23/91/1181582391.db2.gz INUVBJXPIDNURX-NRFANRHFSA-N 1 0 323.436 3.325 20 10 DGCDRO CC(C)[C@H](C(=O)NCc1cc(Cl)ccc1O)[NH+]1CCCCC1 ZINC001452947007 1182305029 /nfs/dbraw/zinc/30/50/29/1182305029.db2.gz PGIAJOMVEFVFII-MRXNPFEDSA-N 1 0 324.852 3.172 20 10 DGCDRO CCCCCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001460998849 1182753748 /nfs/dbraw/zinc/75/37/48/1182753748.db2.gz KCQYUHQKGYPJFZ-UHFFFAOYSA-N 1 0 307.457 3.247 20 10 DGCDRO CCOCc1cc(C[NH2+]CC(C)(C)C[C@H](C)O)ccc1OC ZINC001461235002 1182783185 /nfs/dbraw/zinc/78/31/85/1182783185.db2.gz XVSUNUALOMCYDH-AWEZNQCLSA-N 1 0 309.450 3.118 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001461267817 1182790102 /nfs/dbraw/zinc/79/01/02/1182790102.db2.gz QNMNUJTUXHLQGT-ZOCZFRKYSA-N 1 0 309.475 3.173 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c(O)c1 ZINC001462265856 1182930931 /nfs/dbraw/zinc/93/09/31/1182930931.db2.gz GONHSYTZVSQFMO-CYBMUJFWSA-N 1 0 304.217 3.383 20 10 DGCDRO COc1ncc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC001462357115 1182942731 /nfs/dbraw/zinc/94/27/31/1182942731.db2.gz RGOSPYMZTBRWQL-CYBMUJFWSA-N 1 0 319.474 3.247 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)cc1 ZINC001462638735 1182978480 /nfs/dbraw/zinc/97/84/80/1182978480.db2.gz PFHGTRXCMMOLKI-HRMTXBTBSA-N 1 0 302.487 3.451 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)cc1 ZINC001462638739 1182978922 /nfs/dbraw/zinc/97/89/22/1182978922.db2.gz PFHGTRXCMMOLKI-IMBPEULASA-N 1 0 302.487 3.451 20 10 DGCDRO CCOC(=O)CC[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001473555759 1183773276 /nfs/dbraw/zinc/77/32/76/1183773276.db2.gz CTFODTAINHOIEP-UHFFFAOYSA-N 1 0 318.461 3.370 20 10 DGCDRO C[C@H]([NH2+]Cc1ccnc(Br)c1)c1ccccc1O ZINC001473724163 1183793202 /nfs/dbraw/zinc/79/32/02/1183793202.db2.gz QHJKFSWOQAGQRA-JTQLQIEISA-N 1 0 307.191 3.401 20 10 DGCDRO C[C@H](O)c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC001473956860 1183837631 /nfs/dbraw/zinc/83/76/31/1183837631.db2.gz BGTHFPLPJYWZDW-ZDUSSCGKSA-N 1 0 302.393 3.235 20 10 DGCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001473970009 1183841231 /nfs/dbraw/zinc/84/12/31/1183841231.db2.gz BQZPXDGQSARYHY-SFHVURJKSA-N 1 0 309.409 3.277 20 10 DGCDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001474022518 1183852977 /nfs/dbraw/zinc/85/29/77/1183852977.db2.gz XQYZTRBRERCVJC-NVXWUHKLSA-N 1 0 312.404 3.324 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(N(C)C)cc1 ZINC001474116796 1183870501 /nfs/dbraw/zinc/87/05/01/1183870501.db2.gz HAYJVTHDECRTLR-IAOVAPTHSA-N 1 0 322.424 3.037 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(C)co3)CC2)cc1 ZINC001474329438 1183905083 /nfs/dbraw/zinc/90/50/83/1183905083.db2.gz LVRGWOCYWDSVCD-UHFFFAOYSA-N 1 0 300.402 3.309 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC001474361027 1183909804 /nfs/dbraw/zinc/90/98/04/1183909804.db2.gz JEOMNUPXXWZPEV-WAYWQWQTSA-N 1 0 300.446 3.411 20 10 DGCDRO CN1CC[N@H+](Cc2ccc(Cl)cc2O)Cc2ccccc21 ZINC001474373149 1183911722 /nfs/dbraw/zinc/91/17/22/1183911722.db2.gz ZVTMJDNOMOIVSD-UHFFFAOYSA-N 1 0 302.805 3.498 20 10 DGCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2O)C1 ZINC001474451628 1183924445 /nfs/dbraw/zinc/92/44/45/1183924445.db2.gz ACKWBQIZVQHYIN-GDBMZVCRSA-N 1 0 320.433 3.047 20 10 DGCDRO COc1cc(C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)ccn1 ZINC001474609187 1183948548 /nfs/dbraw/zinc/94/85/48/1183948548.db2.gz OSLOCBBEFNQEFB-LLVKDONJSA-N 1 0 306.793 3.170 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c(O)c1 ZINC001474644243 1183954461 /nfs/dbraw/zinc/95/44/61/1183954461.db2.gz MWRXACUBUDYNJT-UHFFFAOYSA-N 1 0 317.429 3.100 20 10 DGCDRO CC[C@H](C[NH2+]Cc1c(C)cc(OC)cc1O)C(=O)OC(C)(C)C ZINC001474715332 1183966599 /nfs/dbraw/zinc/96/65/99/1183966599.db2.gz GEXBWMUIQYRSNR-CYBMUJFWSA-N 1 0 323.433 3.167 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H](O)Cc2ccccc2F)c1 ZINC001474711001 1183967012 /nfs/dbraw/zinc/96/70/12/1183967012.db2.gz YRBASJVIQOFDOP-KRWDZBQOSA-N 1 0 317.404 3.348 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C)C2CC2)cc1C ZINC001480758220 1184601230 /nfs/dbraw/zinc/60/12/30/1184601230.db2.gz LNOJASOTVMGIMR-LSDHHAIUSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(C)C)cc1C ZINC001505547941 1186101209 /nfs/dbraw/zinc/10/12/09/1186101209.db2.gz QXWDWXZGDUBNNJ-LSDHHAIUSA-N 1 0 306.450 3.033 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC(C)C)cc1C ZINC001505547940 1186101697 /nfs/dbraw/zinc/10/16/97/1186101697.db2.gz QXWDWXZGDUBNNJ-HUUCEWRRSA-N 1 0 306.450 3.033 20 10 DGCDRO CCCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001505561325 1186104494 /nfs/dbraw/zinc/10/44/94/1186104494.db2.gz KMZRAPPGTMGDSX-GJZGRUSLSA-N 1 0 306.450 3.177 20 10 DGCDRO CCCCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001537477922 1188077443 /nfs/dbraw/zinc/07/74/43/1188077443.db2.gz OLNNVMBIMACELQ-SFHVURJKSA-N 1 0 319.493 3.442 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)ccc1N1CCCCC1 ZINC001616825179 1193548609 /nfs/dbraw/zinc/54/86/09/1193548609.db2.gz XTHRXWPZDQKUFX-BEFAXECRSA-N 1 0 302.462 3.188 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001545505089 1188432378 /nfs/dbraw/zinc/43/23/78/1188432378.db2.gz TZLPSBKNJDLCMT-DOTOQJQBSA-N 1 0 318.461 3.251 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC001560247419 1189299491 /nfs/dbraw/zinc/29/94/91/1189299491.db2.gz BVQMVJDSXZFFBA-ARJAWSKDSA-N 1 0 310.397 3.284 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]2(O)CCCC2(C)C)cc1 ZINC001560484912 1189332933 /nfs/dbraw/zinc/33/29/33/1189332933.db2.gz XJWGOPKRTPJQOS-WSSFADSRSA-N 1 0 302.462 3.297 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2CCCCN2C)c(O)c(C(C)(C)C)c1 ZINC001560611173 1189348361 /nfs/dbraw/zinc/34/83/61/1189348361.db2.gz QKKACKVSPFQRAI-OAHLLOKOSA-N 1 0 320.477 3.272 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c(O)c1 ZINC001560697040 1189361548 /nfs/dbraw/zinc/36/15/48/1189361548.db2.gz KWQGQTBLLKKOPK-AWEZNQCLSA-N 1 0 315.413 3.478 20 10 DGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cccc(CC)c1O)C(C)C ZINC001560777602 1189380130 /nfs/dbraw/zinc/38/01/30/1189380130.db2.gz NURSBJMIKCJVBX-SFHVURJKSA-N 1 0 307.434 3.412 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc3ccncc3s2)c1O ZINC001560810501 1189384722 /nfs/dbraw/zinc/38/47/22/1189384722.db2.gz BZJLFSVCUJJQGD-UHFFFAOYSA-N 1 0 300.383 3.300 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)Cc1ccno1 ZINC001560890810 1189401159 /nfs/dbraw/zinc/40/11/59/1189401159.db2.gz RBRJUSGLHYAHGC-LSDHHAIUSA-N 1 0 301.434 3.201 20 10 DGCDRO CCC1(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001568190444 1190447291 /nfs/dbraw/zinc/44/72/91/1190447291.db2.gz JPXDQPCSYYOESY-CQSZACIVSA-N 1 0 318.461 3.036 20 10 DGCDRO CCC1(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001569013198 1190608157 /nfs/dbraw/zinc/60/81/57/1190608157.db2.gz GNJPBZNXUGKMIJ-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO CC(C)c1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC001575858857 1191513345 /nfs/dbraw/zinc/51/33/45/1191513345.db2.gz SSLCGYIBCFGZDE-KBPBESRZSA-N 1 0 316.367 3.227 20 10 DGCDRO Cc1cc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)ccc1N(C)C ZINC001620461630 1193771486 /nfs/dbraw/zinc/77/14/86/1193771486.db2.gz ZHSBRRMQGFWVRR-UHFFFAOYSA-N 1 0 312.461 3.369 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1C[C@@H]1C1CCCC1 ZINC001621107759 1193802593 /nfs/dbraw/zinc/80/25/93/1193802593.db2.gz YPKBEQNULBQDNF-AZUAARDMSA-N 1 0 314.473 3.439 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)c(O)c(C(C)(C)C)c1 ZINC001621110019 1193803438 /nfs/dbraw/zinc/80/34/38/1193803438.db2.gz AIYRDHSJNJGCPF-APHBMKBZSA-N 1 0 305.418 3.108 20 10 DGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]Cc1ccno1 ZINC001621234942 1193820919 /nfs/dbraw/zinc/82/09/19/1193820919.db2.gz KUOKSFKDTJRXEP-UHFFFAOYSA-N 1 0 310.353 3.249 20 10 DGCDRO COc1cc(C)cc(CN2CC[N@H+](C)Cc3ccccc32)c1O ZINC001621352174 1193832195 /nfs/dbraw/zinc/83/21/95/1193832195.db2.gz HLTPUJIQQVLKEJ-UHFFFAOYSA-N 1 0 312.413 3.161 20 10 DGCDRO [O-]c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001621460488 1193845061 /nfs/dbraw/zinc/84/50/61/1193845061.db2.gz QWJUYFKRCIHLCH-CQSZACIVSA-N 1 0 308.853 3.257 20 10 DGCDRO C[C@H]([NH2+]Cc1ncc(Br)cc1O)c1ccccc1O ZINC001621482388 1193848463 /nfs/dbraw/zinc/84/84/63/1193848463.db2.gz UVQLYXNCPJLMSE-VIFPVBQESA-N 1 0 323.190 3.106 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2cccc3[nH]ccc32)cc1OC ZINC001621492025 1193849360 /nfs/dbraw/zinc/84/93/60/1193849360.db2.gz AHBQYMMCRWWNIB-UHFFFAOYSA-N 1 0 312.369 3.181 20 10 DGCDRO CCOC(=O)[C@@]1(F)C[N@H+](Cc2cccc(CC)c2O)C[C@@H]1CC ZINC001621522317 1193853896 /nfs/dbraw/zinc/85/38/96/1193853896.db2.gz YCIBTXBPNYIWEM-MAUKXSAKSA-N 1 0 323.408 3.068 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c(O)c1 ZINC001621535180 1193855134 /nfs/dbraw/zinc/85/51/34/1193855134.db2.gz NESNXIIVFVJWIM-AWEZNQCLSA-N 1 0 305.418 3.291 20 10 DGCDRO CC(C)SCC[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001621557457 1193858638 /nfs/dbraw/zinc/85/86/38/1193858638.db2.gz KBYFFXDBLQXSKM-QGZVFWFLSA-N 1 0 309.523 3.087 20 10 DGCDRO CCCCCC[N@H+](C)CC(=O)NCc1cc(Cl)ccc1O ZINC001628667046 1194190514 /nfs/dbraw/zinc/19/05/14/1194190514.db2.gz OLUPKZNTXVNIHS-UHFFFAOYSA-N 1 0 312.841 3.174 20 10 DGCDRO CC[N@H+](CCOC1CC1)Cc1cc(Br)ccc1O ZINC001641892595 1194877936 /nfs/dbraw/zinc/87/79/36/1194877936.db2.gz JCJUQKBFHYOSJL-UHFFFAOYSA-N 1 0 314.223 3.156 20 10 DGCDRO COc1cc(C[NH2+]CCN2CC[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001647026702 1195240548 /nfs/dbraw/zinc/24/05/48/1195240548.db2.gz JOMBFEMXLDQHII-CQSZACIVSA-N 1 0 320.477 3.130 20 10 DGCDRO COc1cc(C[NH2+]CCN2CC[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001647026699 1195240718 /nfs/dbraw/zinc/24/07/18/1195240718.db2.gz JOMBFEMXLDQHII-AWEZNQCLSA-N 1 0 320.477 3.130 20 10 DGCDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001647038482 1195242728 /nfs/dbraw/zinc/24/27/28/1195242728.db2.gz OFFCVLHBQSDHJF-CQSZACIVSA-N 1 0 313.397 3.187 20 10 DGCDRO COc1ccc(C[NH2+]CCC(C)(C)C)cc1Cn1cccn1 ZINC001648779806 1195331451 /nfs/dbraw/zinc/33/14/51/1195331451.db2.gz NSJONNJIAZKFKH-UHFFFAOYSA-N 1 0 301.434 3.466 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCN(C)CC(F)(F)F ZINC001649245451 1195331508 /nfs/dbraw/zinc/33/15/08/1195331508.db2.gz VYHSGMDSTPOWQG-UHFFFAOYSA-N 1 0 313.367 3.070 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1C ZINC001650546193 1195363130 /nfs/dbraw/zinc/36/31/30/1195363130.db2.gz ULPLGUIVZAUZOI-CYBMUJFWSA-N 1 0 301.434 3.075 20 10 DGCDRO CN(C)c1ccccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001650711843 1195373781 /nfs/dbraw/zinc/37/37/81/1195373781.db2.gz GGUURVZVFRJEJV-UHFFFAOYSA-N 1 0 324.472 3.117 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H](C)O ZINC001651073326 1195409530 /nfs/dbraw/zinc/40/95/30/1195409530.db2.gz GMRCJKKDFHOEDD-OXQOHEQNSA-N 1 0 324.468 3.498 20 10 DGCDRO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001651325892 1195443856 /nfs/dbraw/zinc/44/38/56/1195443856.db2.gz WSHYLPKMWDQGHN-INIZCTEOSA-N 1 0 302.462 3.222 20 10 DGCDRO COC[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(C)C ZINC001651611757 1195486563 /nfs/dbraw/zinc/48/65/63/1195486563.db2.gz JWBRWJLFURKPTB-CYBMUJFWSA-N 1 0 300.393 3.039 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC001652847275 1195659729 /nfs/dbraw/zinc/65/97/29/1195659729.db2.gz UXXZKFLPKKWLEM-AWEZNQCLSA-N 1 0 307.752 3.278 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC001652940363 1195673030 /nfs/dbraw/zinc/67/30/30/1195673030.db2.gz GYELKUVGZWJBSL-UHFFFAOYSA-N 1 0 318.461 3.254 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2ccccc2C(=O)OC)c1O ZINC001653152790 1195692938 /nfs/dbraw/zinc/69/29/38/1195692938.db2.gz PCYYMRQFUOPRLF-UHFFFAOYSA-N 1 0 313.397 3.074 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2COc3c(F)cc(F)cc3C2)c1O ZINC001653239026 1195702248 /nfs/dbraw/zinc/70/22/48/1195702248.db2.gz WCHOYKSDDUKRRH-OAHLLOKOSA-N 1 0 319.351 3.326 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCCc2cccnc2)cc1 ZINC001654113781 1195775938 /nfs/dbraw/zinc/77/59/38/1195775938.db2.gz ARKNODOJRRFQBZ-UHFFFAOYSA-N 1 0 313.445 3.091 20 10 DGCDRO CCOC(=O)[C@@H]1C[C@H]1CN(CC1CC1)c1ccc(OC)cc1 ZINC001654495935 1195808800 /nfs/dbraw/zinc/80/88/00/1195808800.db2.gz UFXBPFHDQORGRU-WMLDXEAASA-N 1 0 303.402 3.111 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccccc1O ZINC001654532120 1195813519 /nfs/dbraw/zinc/81/35/19/1195813519.db2.gz IOHFEUXTNFDGBK-GFCCVEGCSA-N 1 0 318.804 3.013 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2c(C)nsc2C)cc1 ZINC001654947708 1195857743 /nfs/dbraw/zinc/85/77/43/1195857743.db2.gz PARVFXUFXQGOBS-UHFFFAOYSA-N 1 0 319.474 3.337 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2ccccc2CO)ccc1OC ZINC001655418887 1195915103 /nfs/dbraw/zinc/91/51/03/1195915103.db2.gz OELDYBAFGVLDPS-UHFFFAOYSA-N 1 0 315.413 3.014 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cccc4nccn43)ccc21 ZINC001656233124 1196021403 /nfs/dbraw/zinc/02/14/03/1196021403.db2.gz FXXCWXBAHNORBK-UHFFFAOYSA-N 1 0 306.413 3.007 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(N(C)C)nc2)cc1 ZINC001656737425 1196066519 /nfs/dbraw/zinc/06/65/19/1196066519.db2.gz UJJXSOYCNDCGFB-UHFFFAOYSA-N 1 0 312.461 3.284 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCC(C)CC2)cc1F ZINC001656766582 1196069973 /nfs/dbraw/zinc/06/99/73/1196069973.db2.gz QMYPURJQGBLIQF-UHFFFAOYSA-N 1 0 321.484 3.493 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H](O)c2ccsc2)ccc1OC ZINC001657263600 1196124994 /nfs/dbraw/zinc/12/49/94/1196124994.db2.gz DNGPNPVXPIAXAE-MRXNPFEDSA-N 1 0 321.442 3.116 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)c(O)c1 ZINC001657354270 1196132650 /nfs/dbraw/zinc/13/26/50/1196132650.db2.gz OJUXDRXZEAKCTN-GOSISDBHSA-N 1 0 324.424 3.095 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000073381095 1196156016 /nfs/dbraw/zinc/15/60/16/1196156016.db2.gz BTSCRKJNFFTXCN-UHFFFAOYSA-N 1 0 313.489 3.393 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COC3(CCCCC3)O2)cc1F ZINC001657659708 1196165709 /nfs/dbraw/zinc/16/57/09/1196165709.db2.gz AUGSASSKROGUPA-HNNXBMFYSA-N 1 0 322.424 3.057 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001657816412 1196180248 /nfs/dbraw/zinc/18/02/48/1196180248.db2.gz NPWITTVJZBLSID-OAHLLOKOSA-N 1 0 320.433 3.190 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](CCO)C2CCCCC2)cc1 ZINC001658205283 1196225415 /nfs/dbraw/zinc/22/54/15/1196225415.db2.gz GSJJFPSANDUVBM-SREVYHEPSA-N 1 0 302.462 3.393 20 10 DGCDRO Cc1cc(O)c(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1Cl ZINC001658217830 1196225651 /nfs/dbraw/zinc/22/56/51/1196225651.db2.gz RDLNMDMMVBJYFZ-GFCCVEGCSA-N 1 0 308.853 3.270 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c(O)c1 ZINC001658402311 1196252384 /nfs/dbraw/zinc/25/23/84/1196252384.db2.gz CYRNSODCTYOGIV-ROUUACIJSA-N 1 0 301.361 3.436 20 10 DGCDRO OC[C@]1(C[NH2+]Cc2ccc(Cl)cc2O)CCc2ccccc21 ZINC001658477133 1196262356 /nfs/dbraw/zinc/26/23/56/1196262356.db2.gz SGMHCAADEVFPAW-GOSISDBHSA-N 1 0 317.816 3.012 20 10 DGCDRO CNC(=O)c1ccc(C[N@H+](Cc2ccc(C)cc2O)C2CC2)cc1 ZINC001658475266 1196262548 /nfs/dbraw/zinc/26/25/48/1196262548.db2.gz JPFGBXUJKKOZMS-UHFFFAOYSA-N 1 0 324.424 3.225 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(Br)nc1)c1ccccc1O ZINC001658524457 1196269490 /nfs/dbraw/zinc/26/94/90/1196269490.db2.gz XDQOBHUPJLXKHQ-JTQLQIEISA-N 1 0 307.191 3.401 20 10 DGCDRO COCCOC1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001658549641 1196271545 /nfs/dbraw/zinc/27/15/45/1196271545.db2.gz OHYCULSEBJVITI-UHFFFAOYSA-N 1 0 307.434 3.143 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC001658577840 1196275964 /nfs/dbraw/zinc/27/59/64/1196275964.db2.gz RGDORKHJYVDHRM-QGZVFWFLSA-N 1 0 319.445 3.491 20 10 DGCDRO CCOC(=O)[C@]12CCC[C@H]1C[C@@H]([NH2+]Cc1cc(C)ccc1O)C2 ZINC001658588340 1196277087 /nfs/dbraw/zinc/27/70/87/1196277087.db2.gz ZHIHIVOVHGZGND-FCEWJHQRSA-N 1 0 317.429 3.302 20 10 DGCDRO COC(=O)c1c(C[NH2+]C[C@H]2C=CCC2)c2cc(F)ccc2n1C ZINC001658796634 1196302554 /nfs/dbraw/zinc/30/25/54/1196302554.db2.gz DPRMIFMQSJFBFM-LBPRGKRZSA-N 1 0 316.376 3.160 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC(=O)Nc2cccc(F)c2)c(Cl)c1 ZINC001659139157 1196350695 /nfs/dbraw/zinc/35/06/95/1196350695.db2.gz WAYDPVYLWUUIHR-UHFFFAOYSA-N 1 0 322.767 3.221 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCc3cn(C(C)C)nc32)c1 ZINC001659346533 1196373854 /nfs/dbraw/zinc/37/38/54/1196373854.db2.gz WHVBYTJEUBAXTR-INIZCTEOSA-N 1 0 315.417 3.345 20 10 DGCDRO CO[C@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC001659365557 1196375585 /nfs/dbraw/zinc/37/55/85/1196375585.db2.gz LDCWPAHHVYAWPK-LJQANCHMSA-N 1 0 320.477 3.268 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1O)C1(CO)CC=CC1 ZINC001659515486 1196390800 /nfs/dbraw/zinc/39/08/00/1196390800.db2.gz SEUNHLYLZLNODT-MRXNPFEDSA-N 1 0 309.837 3.489 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1O)C1(CO)CC=CC1 ZINC001659515485 1196391086 /nfs/dbraw/zinc/39/10/86/1196391086.db2.gz SEUNHLYLZLNODT-INIZCTEOSA-N 1 0 309.837 3.489 20 10 DGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001659784333 1196413793 /nfs/dbraw/zinc/41/37/93/1196413793.db2.gz SHJBLNDMFOVJJT-NEPJUHHUSA-N 1 0 318.392 3.240 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc(F)c(F)c1 ZINC001659815900 1196417523 /nfs/dbraw/zinc/41/75/23/1196417523.db2.gz YFSWHRSUDYPDIP-GHMZBOCLSA-N 1 0 320.339 3.348 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3(C)CCC3)CC2)c(OC)c1 ZINC001659857010 1196422251 /nfs/dbraw/zinc/42/22/51/1196422251.db2.gz AOTUPHWZUGIYTQ-UHFFFAOYSA-N 1 0 304.434 3.016 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001660090432 1196443800 /nfs/dbraw/zinc/44/38/00/1196443800.db2.gz BYWUOHUMTVWXLQ-PDWMJMLSSA-N 1 0 300.446 3.300 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c1O ZINC001660289263 1196467135 /nfs/dbraw/zinc/46/71/35/1196467135.db2.gz IZQONMHFXNUXBM-GOSISDBHSA-N 1 0 302.462 3.451 20 10 DGCDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001660380449 1196476956 /nfs/dbraw/zinc/47/69/56/1196476956.db2.gz PYIODNQLUBCNSQ-MRXNPFEDSA-N 1 0 318.461 3.252 20 10 DGCDRO CC1CC[NH+](CCCNCc2ccc(N(C)C)c(F)c2)CC1 ZINC001660797728 1196526032 /nfs/dbraw/zinc/52/60/32/1196526032.db2.gz TXZVVTKDZMQPQS-UHFFFAOYSA-N 1 0 307.457 3.103 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCCCC23OCCO3)c1 ZINC001660898184 1196539734 /nfs/dbraw/zinc/53/97/34/1196539734.db2.gz JDIXYUSKAYWHEJ-KRWDZBQOSA-N 1 0 305.418 3.291 20 10 DGCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC001660944789 1196544411 /nfs/dbraw/zinc/54/44/11/1196544411.db2.gz JDSQYVLLPBTTIV-BETUJISGSA-N 1 0 312.404 3.128 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](COC)[C@@H]2CCCO2)cc1C ZINC001662332312 1196708725 /nfs/dbraw/zinc/70/87/25/1196708725.db2.gz HFTHLICQQXSBQH-WMZOPIPTSA-N 1 0 307.434 3.067 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cc1F ZINC001662888255 1196768350 /nfs/dbraw/zinc/76/83/50/1196768350.db2.gz GRJAXFXMZWSWPZ-KRWDZBQOSA-N 1 0 319.468 3.388 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](Cc1ccccc1)[C@H](C)CO ZINC001663562422 1196905536 /nfs/dbraw/zinc/90/55/36/1196905536.db2.gz RGTBMGBWRXDARR-QGZVFWFLSA-N 1 0 312.457 3.444 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)n2)c(O)c1 ZINC001663623693 1196916478 /nfs/dbraw/zinc/91/64/78/1196916478.db2.gz OLSGKDLSHIAZSP-KRWDZBQOSA-N 1 0 311.429 3.481 20 10 DGCDRO COCC[N@H+](Cc1ccc(C)o1)Cc1c(C)cc(OC)cc1O ZINC001663747976 1196939253 /nfs/dbraw/zinc/93/92/53/1196939253.db2.gz HKKNQVWEIWTWSU-UHFFFAOYSA-N 1 0 319.401 3.259 20 10 DGCDRO C[C@H]1SCCN(Cc2cc(F)c(N(C)C)cc2F)[C@@H]1C ZINC001663888405 1196955003 /nfs/dbraw/zinc/95/50/03/1196955003.db2.gz CTPCTMCGNOINSB-GHMZBOCLSA-N 1 0 300.418 3.357 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC001664873493 1197073772 /nfs/dbraw/zinc/07/37/72/1197073772.db2.gz SFOVIAOKPIRQGC-TYOLEZHBSA-N 1 0 324.468 3.301 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)CC1CCCCC1 ZINC001665042068 1197090735 /nfs/dbraw/zinc/09/07/35/1197090735.db2.gz UCOJCEDBPSMPEK-SFHVURJKSA-N 1 0 304.478 3.482 20 10 DGCDRO COC[C@H](C[NH2+]Cc1ccc(Br)cc1O)C(C)C ZINC001665740982 1197185430 /nfs/dbraw/zinc/18/54/30/1197185430.db2.gz DKUJIXTXQPAVLL-LBPRGKRZSA-N 1 0 316.239 3.163 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)C2CC2)cc1C ZINC001668015041 1197395502 /nfs/dbraw/zinc/39/55/02/1197395502.db2.gz DWQCRWWZSZCTPG-GJZGRUSLSA-N 1 0 318.461 3.034 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccc(C(N)=O)c1 ZINC000390293177 1197712455 /nfs/dbraw/zinc/71/24/55/1197712455.db2.gz IMFLVYZADIMMAV-SWLSCSKDSA-N 1 0 310.397 3.138 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC2CCC2)cc1C ZINC001674647006 1197819685 /nfs/dbraw/zinc/81/96/85/1197819685.db2.gz MMLJLOIMLYGMNF-HUUCEWRRSA-N 1 0 318.461 3.177 20 10 DGCDRO CCOc1cccc(CN2CCC([NH+](CC)CC)CC2)c1O ZINC000121687332 1200226069 /nfs/dbraw/zinc/22/60/69/1200226069.db2.gz IEMCBBGWQVEWKG-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(C)CCC2)cc1C ZINC001755247359 1200731730 /nfs/dbraw/zinc/73/17/30/1200731730.db2.gz ATGUKPAORGCHSQ-LSDHHAIUSA-N 1 0 318.461 3.177 20 10 DGCDRO CC/C=C(/C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001690833285 1200742745 /nfs/dbraw/zinc/74/27/45/1200742745.db2.gz BLINVRNJWDAAIJ-ACQAZONXSA-N 1 0 318.461 3.344 20 10 DGCDRO CCCCC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001692332520 1201024308 /nfs/dbraw/zinc/02/43/08/1201024308.db2.gz XPHKESYPCOKNTJ-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@H](C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699083136 1201709137 /nfs/dbraw/zinc/70/91/37/1201709137.db2.gz YZJIYZPWOBLKGI-ZFWWWQNUSA-N 1 0 306.450 3.034 20 10 DGCDRO CCC(=CC(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1)CC ZINC001714695065 1203104448 /nfs/dbraw/zinc/10/44/48/1203104448.db2.gz CLQXKNDQATWPHG-UHFFFAOYSA-N 1 0 318.461 3.298 20 10 DGCDRO CC/C(C)=C\C(=O)N[C@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732692745 1204929691 /nfs/dbraw/zinc/92/96/91/1204929691.db2.gz IEXOCOONCGCGSI-SYCZXOQXSA-N 1 0 318.461 3.344 20 10 DGCDRO CC/C(C)=C/C(=O)N[C@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732692747 1204930071 /nfs/dbraw/zinc/93/00/71/1204930071.db2.gz IEXOCOONCGCGSI-WSYSLRRZSA-N 1 0 318.461 3.344 20 10 DGCDRO CC[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001733165593 1205031621 /nfs/dbraw/zinc/03/16/21/1205031621.db2.gz USKPTJXOQSQXLF-DYVFJYSZSA-N 1 0 318.461 3.034 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)CC1 ZINC001169652919 1081620116 /nfs/dbraw/zinc/62/01/16/1081620116.db2.gz SLYIHYCFTHDCHX-KGLIPLIRSA-N 1 0 306.406 3.054 20 10 DGCDRO Cc1cccc(CC[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000691427846 1081649534 /nfs/dbraw/zinc/64/95/34/1081649534.db2.gz HXCVVENFKMLTFV-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO Oc1ccc(CNc2cc(OCC(F)(F)F)cc[nH+]2)cc1O ZINC001169997477 1081824579 /nfs/dbraw/zinc/82/45/79/1081824579.db2.gz YYRRMGAWKSMCKA-UHFFFAOYSA-N 1 0 314.263 3.046 20 10 DGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1(C)C ZINC000691476964 1081868033 /nfs/dbraw/zinc/86/80/33/1081868033.db2.gz OYSOHHUTDYVLSX-CHWSQXEVSA-N 1 0 314.223 3.058 20 10 DGCDRO CCOC[C@@H]([NH2+]Cc1ccc(Br)cc1O)C(C)C ZINC000691488743 1081923577 /nfs/dbraw/zinc/92/35/77/1081923577.db2.gz NXPZLYXPODPDHY-CYBMUJFWSA-N 1 0 316.239 3.305 20 10 DGCDRO CC(C)OCCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691488399 1081923207 /nfs/dbraw/zinc/92/32/07/1081923207.db2.gz MHFURHGTEKJRRL-UHFFFAOYSA-N 1 0 316.239 3.450 20 10 DGCDRO CCCn1cncc1C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC001648832657 1081938099 /nfs/dbraw/zinc/93/80/99/1081938099.db2.gz GUJBDLXCBGZKHK-UHFFFAOYSA-N 1 0 300.450 3.429 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2c(Br)cnn2C)c(O)c1 ZINC000693433323 1082226671 /nfs/dbraw/zinc/22/66/71/1082226671.db2.gz ZGAUINNGQIIQSB-SNVBAGLBSA-N 1 0 324.222 3.047 20 10 DGCDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc([C@H]2CCC(=O)N2)cc1 ZINC001167628731 1082623484 /nfs/dbraw/zinc/62/34/84/1082623484.db2.gz YKVLEEIXWHTHED-MRXNPFEDSA-N 1 0 315.461 3.122 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCC2SCCS2)c1O ZINC000693785767 1082728866 /nfs/dbraw/zinc/72/88/66/1082728866.db2.gz UJPGKFCWSSHXPK-UHFFFAOYSA-N 1 0 319.879 3.340 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222252519 1083573546 /nfs/dbraw/zinc/57/35/46/1083573546.db2.gz GBLSUAWSBVFLNO-HNNXBMFYSA-N 1 0 315.244 3.417 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC001182136667 1083629221 /nfs/dbraw/zinc/62/92/21/1083629221.db2.gz AATDJPFVYYDDGY-SFHVURJKSA-N 1 0 304.478 3.338 20 10 DGCDRO CC/C=C(/C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482081275 1084828547 /nfs/dbraw/zinc/82/85/47/1084828547.db2.gz BQEWIEAFYBGVSV-UMJDEASPSA-N 1 0 318.461 3.202 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)C2CC2)cc1C ZINC001268674730 1084936307 /nfs/dbraw/zinc/93/63/07/1084936307.db2.gz YOUWEHOGOOOVEO-DZGCQCFKSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@@H](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482275736 1085755002 /nfs/dbraw/zinc/75/50/02/1085755002.db2.gz MKMUSMLKGHVTHV-ZBFHGGJFSA-N 1 0 320.477 3.376 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2c(O)cccc2Cl)cc1C ZINC001657484683 1126260180 /nfs/dbraw/zinc/26/01/80/1126260180.db2.gz ZEEDASXIQJXLNA-OAHLLOKOSA-N 1 0 319.832 3.356 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C(C)C)cc1C ZINC001271128515 1086348746 /nfs/dbraw/zinc/34/87/46/1086348746.db2.gz CZFLNOPHRDOPCE-CVEARBPZSA-N 1 0 320.477 3.232 20 10 DGCDRO CC(=O)OCc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC001141794012 1086438769 /nfs/dbraw/zinc/43/87/69/1086438769.db2.gz QWMRCIGPSQSBHP-UHFFFAOYSA-N 1 0 316.401 3.041 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)CC(C)(C)C2CC2)cc1C ZINC001126746419 1087126465 /nfs/dbraw/zinc/12/64/65/1087126465.db2.gz OEEBTWAEQWRDJN-UHFFFAOYSA-N 1 0 318.461 3.036 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001142590633 1087373083 /nfs/dbraw/zinc/37/30/83/1087373083.db2.gz JUUCPSVKUODELM-GOSISDBHSA-N 1 0 318.461 3.089 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@]3(C)CC[NH2+]C3)n2)cc1 ZINC001212200580 1088006103 /nfs/dbraw/zinc/00/61/03/1088006103.db2.gz KZFDYDHWSPPYHG-LJQANCHMSA-N 1 0 322.412 3.395 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC(C)(C)c2ccc(C)cn2)c(O)c1 ZINC001206672103 1088467080 /nfs/dbraw/zinc/46/70/80/1088467080.db2.gz JZGQKOFPJJTKKO-UHFFFAOYSA-N 1 0 314.429 3.480 20 10 DGCDRO Nc1ccc(Nc2ccc(OC3CC[NH2+]CC3)c(F)c2)cc1 ZINC001160098703 1088637758 /nfs/dbraw/zinc/63/77/58/1088637758.db2.gz HHLBPIUYHVXOES-UHFFFAOYSA-N 1 0 301.365 3.282 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)CCC2CCC2)cc1C ZINC001156313184 1089474733 /nfs/dbraw/zinc/47/47/33/1089474733.db2.gz NOEOUURYYKJQDY-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246205631 1089833777 /nfs/dbraw/zinc/83/37/77/1089833777.db2.gz BJYYYHBNPXDUSD-GUYCJALGSA-N 1 0 319.445 3.396 20 10 DGCDRO C[n+]1cccc(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001168526181 1089954042 /nfs/dbraw/zinc/95/40/42/1089954042.db2.gz RQJHHQWHOHPBJM-UHFFFAOYSA-O 1 0 300.769 3.030 20 10 DGCDRO CC(C)N(CCC[NH3+])c1cc(F)c(OC(F)(F)F)c(F)c1 ZINC001164127509 1090349767 /nfs/dbraw/zinc/34/97/67/1090349767.db2.gz XRJCEJBIKXNUDK-UHFFFAOYSA-N 1 0 312.282 3.427 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC[C@H]2C)cc1C ZINC001127929606 1090544149 /nfs/dbraw/zinc/54/41/49/1090544149.db2.gz UUTLLKMRQBSSAD-PBHICJAKSA-N 1 0 318.461 3.036 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203551568 1090754546 /nfs/dbraw/zinc/75/45/46/1090754546.db2.gz JCROBMBEPDYJKF-HNNXBMFYSA-N 1 0 320.433 3.224 20 10 DGCDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC001203558510 1090755352 /nfs/dbraw/zinc/75/53/52/1090755352.db2.gz LKUULAHUOYZDKQ-HNNXBMFYSA-N 1 0 313.397 3.346 20 10 DGCDRO CCCCCC[NH+]1CCN(Cc2cccc(OC)c2O)CC1 ZINC001203595503 1090764593 /nfs/dbraw/zinc/76/45/93/1090764593.db2.gz GCLHZTYXUPLDJY-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO COc1cccc([C@H]2CC[N@H+](Cc3cccc(OC)c3O)C2)c1 ZINC001203601768 1090765771 /nfs/dbraw/zinc/76/57/71/1090765771.db2.gz KNFFTPYSJKZVCF-HNNXBMFYSA-N 1 0 313.397 3.399 20 10 DGCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COC)C2)c1O ZINC001203608604 1090766329 /nfs/dbraw/zinc/76/63/29/1090766329.db2.gz WATGVZHONDRIDU-QAPCUYQASA-N 1 0 305.418 3.039 20 10 DGCDRO COc1ccc(C[NH+]2CCC(Cc3ccncc3)CC2)c(O)c1 ZINC001203634349 1090770250 /nfs/dbraw/zinc/77/02/50/1090770250.db2.gz AOHFWEMSYNXLMI-UHFFFAOYSA-N 1 0 312.413 3.251 20 10 DGCDRO COc1ccc(C[N@H+](C2CCCC2)C2CCN(C)CC2)c(O)c1 ZINC001203635025 1090770305 /nfs/dbraw/zinc/77/03/05/1090770305.db2.gz GOUGLVZPZZBNPM-UHFFFAOYSA-N 1 0 318.461 3.240 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001203634365 1090770347 /nfs/dbraw/zinc/77/03/47/1090770347.db2.gz BJIAQJBHPGBBNQ-INIZCTEOSA-N 1 0 311.381 3.106 20 10 DGCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665631 1090775801 /nfs/dbraw/zinc/77/58/01/1090775801.db2.gz QIAOPXBWGJQPOD-LBPRGKRZSA-N 1 0 311.809 3.211 20 10 DGCDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001203682786 1090780075 /nfs/dbraw/zinc/78/00/75/1090780075.db2.gz NNYYHBSKTGTSQC-SIXLDLHFSA-N 1 0 318.436 3.044 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CCN2C)cc1 ZINC001203770501 1090801056 /nfs/dbraw/zinc/80/10/56/1090801056.db2.gz GJYPYVZNRJNIJL-QGZVFWFLSA-N 1 0 315.486 3.178 20 10 DGCDRO Oc1ccc(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)cc1O ZINC001203882787 1090826249 /nfs/dbraw/zinc/82/62/49/1090826249.db2.gz VMGJCESDWYLFGV-HNNXBMFYSA-N 1 0 316.426 3.250 20 10 DGCDRO Cc1cnc2n1CCC21CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203931915 1090843012 /nfs/dbraw/zinc/84/30/12/1090843012.db2.gz MIJWHQIBPJIWDO-UHFFFAOYSA-N 1 0 324.472 3.195 20 10 DGCDRO CCC(=O)NC1CC[NH+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC001203938813 1090843697 /nfs/dbraw/zinc/84/36/97/1090843697.db2.gz FPFGZSHJTIAFNQ-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](F)(CO)CC2)cc1 ZINC001203940732 1090844271 /nfs/dbraw/zinc/84/42/71/1090844271.db2.gz XUEGAODGRKHMJV-GOSISDBHSA-N 1 0 308.441 3.219 20 10 DGCDRO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936900 1090844837 /nfs/dbraw/zinc/84/48/37/1090844837.db2.gz QNQKJQSNEKUFPW-GOSISDBHSA-N 1 0 311.429 3.109 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)[C@@H]2C)cc1 ZINC001203942413 1090845823 /nfs/dbraw/zinc/84/58/23/1090845823.db2.gz PMUUKCZFBIDTRU-MAUKXSAKSA-N 1 0 318.461 3.306 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc1 ZINC001203942888 1090845869 /nfs/dbraw/zinc/84/58/69/1090845869.db2.gz XGQCKPFKKALNOP-SEXKYXSUSA-N 1 0 300.446 3.142 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@H]([N@H+](C)C(C)C)C2)cc1 ZINC001203946821 1090847916 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CN(C)c1ccc(CN2[C@@H]3CC[C@H]2C[N@@H+](C)C3)c2ccccc21 ZINC001204243346 1090934071 /nfs/dbraw/zinc/93/40/71/1090934071.db2.gz XVPSXENSSDFAIV-CALCHBBNSA-N 1 0 309.457 3.184 20 10 DGCDRO CCOC(=O)CC[N@H+](C)Cc1ccc(N(C)C)c2ccccc12 ZINC001204243339 1090934179 /nfs/dbraw/zinc/93/41/79/1090934179.db2.gz XOZDJRUNXDMXIR-UHFFFAOYSA-N 1 0 314.429 3.291 20 10 DGCDRO Cc1cccc(N2CC[NH+](Cc3ccc(O)cc3O)CC2)c1C ZINC001204279436 1090939158 /nfs/dbraw/zinc/93/91/58/1090939158.db2.gz ZCZJVOVJLYWWEN-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO OCC[N@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001204320428 1090948377 /nfs/dbraw/zinc/94/83/77/1090948377.db2.gz YGJSKPJZCGYKOV-UHFFFAOYSA-N 1 0 310.441 3.281 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC001204320961 1090948432 /nfs/dbraw/zinc/94/84/32/1090948432.db2.gz AZLDHCFOIRHEMB-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCC[C@@]1(C)O ZINC001204324382 1090949386 /nfs/dbraw/zinc/94/93/86/1090949386.db2.gz KZRCEHWVHVUUNT-VQIMIIECSA-N 1 0 302.462 3.270 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCC2(C1)OCCO2 ZINC001204328796 1090950941 /nfs/dbraw/zinc/95/09/41/1090950941.db2.gz NRPNSUMKDPMQRO-SFHVURJKSA-N 1 0 316.445 3.014 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]3C[C@H]32)c1O ZINC001204341258 1090951976 /nfs/dbraw/zinc/95/19/76/1090951976.db2.gz BLAYSSWOCWTSFJ-JOYOIKCWSA-N 1 0 312.207 3.148 20 10 DGCDRO CN1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC001138220675 1091119968 /nfs/dbraw/zinc/11/99/68/1091119968.db2.gz MAMSWYIXGVPVLI-QUCCMNQESA-N 1 0 313.489 3.203 20 10 DGCDRO Cc1c(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c2ccccc2n1C ZINC001138258057 1091126015 /nfs/dbraw/zinc/12/60/15/1091126015.db2.gz JPBPTZFJPXBOQN-QGZVFWFLSA-N 1 0 320.383 3.487 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138258129 1091126140 /nfs/dbraw/zinc/12/61/40/1091126140.db2.gz MOEWWVWCHALZGP-IBGZPJMESA-N 1 0 314.429 3.262 20 10 DGCDRO C[N@H+](Cc1ccncc1)Cc1cc2c3c(c1O)CCCN3CCC2 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320.477 3.134 20 10 DGCDRO C[C@@]1([NH3+])CCCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001205287913 1091165426 /nfs/dbraw/zinc/16/54/26/1091165426.db2.gz DAEMFOWVXDYGLY-CQSZACIVSA-N 1 0 303.233 3.402 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCOC2)c(OC)c1 ZINC001138392031 1091165780 /nfs/dbraw/zinc/16/57/80/1091165780.db2.gz MXWAVXKLHSQVMH-QGZVFWFLSA-N 1 0 306.450 3.152 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001138496957 1091206440 /nfs/dbraw/zinc/20/64/40/1091206440.db2.gz VSOACCHKBYSXFA-QZTJIDSGSA-N 1 0 300.446 3.145 20 10 DGCDRO FC(F)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138498826 1091206786 /nfs/dbraw/zinc/20/67/86/1091206786.db2.gz GYEWFWINOAZOBZ-OAHLLOKOSA-N 1 0 310.388 3.000 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(Cl)cc1O)CCC(F)(F)F ZINC001205397222 1091212806 /nfs/dbraw/zinc/21/28/06/1091212806.db2.gz PZKREFRTNPWRHU-UHFFFAOYSA-N 1 0 324.774 3.410 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)CC2(O)CCCCCC2)c1O ZINC001205475175 1091231792 /nfs/dbraw/zinc/23/17/92/1091231792.db2.gz KJUUALXULMYGBZ-UHFFFAOYSA-N 1 0 307.434 3.226 20 10 DGCDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCC1(F)F ZINC001205763855 1091336583 /nfs/dbraw/zinc/33/65/83/1091336583.db2.gz SHLUHGVDYCHBIB-MRXNPFEDSA-N 1 0 323.431 3.093 20 10 DGCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCC1(F)F ZINC001205763852 1091337345 /nfs/dbraw/zinc/33/73/45/1091337345.db2.gz SHLUHGVDYCHBIB-INIZCTEOSA-N 1 0 323.431 3.093 20 10 DGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)CC(C)=C(C)C)cc1C ZINC001493657029 1091344830 /nfs/dbraw/zinc/34/48/30/1091344830.db2.gz DCRGEEXLMTWUNK-UHFFFAOYSA-N 1 0 318.461 3.298 20 10 DGCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817852 1091364265 /nfs/dbraw/zinc/36/42/65/1091364265.db2.gz RPXRHJOUSMIICY-VQIMIIECSA-N 1 0 301.478 3.236 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(O)cc1OC ZINC001139144859 1091463067 /nfs/dbraw/zinc/46/30/67/1091463067.db2.gz KXZXJDDDQGBWNV-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCCOC2)c1O ZINC000401590409 1091530384 /nfs/dbraw/zinc/53/03/84/1091530384.db2.gz WKZLWYSNJCYXLC-ZDUSSCGKSA-N 1 0 314.223 3.074 20 10 DGCDRO COC(=O)c1[nH]c2ccccc2c1C[N@H+](C)Cc1ccccc1O ZINC001139399777 1091546554 /nfs/dbraw/zinc/54/65/54/1091546554.db2.gz VGXTXBBSRBFBGU-UHFFFAOYSA-N 1 0 324.380 3.292 20 10 DGCDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001206317832 1091577853 /nfs/dbraw/zinc/57/78/53/1091577853.db2.gz JMPZWQPDOOVHPV-OAHLLOKOSA-N 1 0 316.367 3.362 20 10 DGCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001206444886 1091633787 /nfs/dbraw/zinc/63/37/87/1091633787.db2.gz LPCFOEIKTGHERD-IRXDYDNUSA-N 1 0 318.367 3.069 20 10 DGCDRO Cc1cc(C[N@@H+]2CCCN(c3cccnc3)CC2)ccc1N(C)C ZINC001139673235 1091640058 /nfs/dbraw/zinc/64/00/58/1091640058.db2.gz DWZNNCDXEABYCP-UHFFFAOYSA-N 1 0 324.472 3.168 20 10 DGCDRO Cc1cc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)ccc1N(C)C ZINC001139673529 1091640144 /nfs/dbraw/zinc/64/01/44/1091640144.db2.gz JHUDYTIBWPNCHX-INIZCTEOSA-N 1 0 306.425 3.154 20 10 DGCDRO COc1ccc2n[nH]c(C[N@H+](C)Cc3ccc(N(C)C)cc3)c2c1 ZINC001140070380 1091758620 /nfs/dbraw/zinc/75/86/20/1091758620.db2.gz FZTLQPSUGBHYED-UHFFFAOYSA-N 1 0 324.428 3.270 20 10 DGCDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140281937 1091815309 /nfs/dbraw/zinc/81/53/09/1091815309.db2.gz UXXNOLHUFHKNNC-HOTGVXAUSA-N 1 0 302.462 3.411 20 10 DGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001140344368 1091835582 /nfs/dbraw/zinc/83/55/82/1091835582.db2.gz IPLXEINCNHLDEQ-UHFFFAOYSA-N 1 0 318.804 3.484 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001140342364 1091835933 /nfs/dbraw/zinc/83/59/33/1091835933.db2.gz GODVMMRZRARDEC-AWEZNQCLSA-N 1 0 318.804 3.484 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCO[C@H](c2ccccn2)C1 ZINC001140341432 1091835977 /nfs/dbraw/zinc/83/59/77/1091835977.db2.gz NMRYTUPHUWICTB-INIZCTEOSA-N 1 0 304.777 3.014 20 10 DGCDRO CCN1C(=O)CCC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140463101 1091876250 /nfs/dbraw/zinc/87/62/50/1091876250.db2.gz SKJNWWDLGMPCCV-UHFFFAOYSA-N 1 0 322.836 3.023 20 10 DGCDRO C[N@H+](Cc1cnc2ccccn12)Cc1ccc(Cl)cc1O ZINC001140463278 1091876398 /nfs/dbraw/zinc/87/63/98/1091876398.db2.gz YNLOEOPYXVYGRP-UHFFFAOYSA-N 1 0 301.777 3.325 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140465364 1091876435 /nfs/dbraw/zinc/87/64/35/1091876435.db2.gz KNVUMJGBNLVGKK-CYBMUJFWSA-N 1 0 311.809 3.211 20 10 DGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)[C@@H]1C ZINC001140466702 1091878768 /nfs/dbraw/zinc/87/87/68/1091878768.db2.gz LIAICJQLFRJGJK-RISCZKNCSA-N 1 0 311.809 3.209 20 10 DGCDRO CC[C@@H]1[N@H+](Cc2ccc(Cl)cc2O)CCC[C@]12CCC(=O)N2 ZINC001140467167 1091879182 /nfs/dbraw/zinc/87/91/82/1091879182.db2.gz NSTISJJEPLCGPU-RDJZCZTQSA-N 1 0 322.836 3.069 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001140660163 1091949122 /nfs/dbraw/zinc/94/91/22/1091949122.db2.gz HYKMXFCEROGSOZ-CVEARBPZSA-N 1 0 318.436 3.284 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001140663429 1091949562 /nfs/dbraw/zinc/94/95/62/1091949562.db2.gz DSTPHKIXIZAJIX-BEFAXECRSA-N 1 0 318.436 3.427 20 10 DGCDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661734 1091949994 /nfs/dbraw/zinc/94/99/94/1091949994.db2.gz PTHSBHDUIZGMDL-HNNXBMFYSA-N 1 0 306.425 3.427 20 10 DGCDRO C[C@]1(F)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660470 1091950386 /nfs/dbraw/zinc/95/03/86/1091950386.db2.gz SMBQIYUDRHOUPN-SFHVURJKSA-N 1 0 324.415 3.376 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660515 1091950436 /nfs/dbraw/zinc/95/04/36/1091950436.db2.gz UOCAGTLSSNFLMU-OAHLLOKOSA-N 1 0 306.425 3.284 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)[C@H]1C ZINC001140661699 1091950615 /nfs/dbraw/zinc/95/06/15/1091950615.db2.gz OJDHSRLLQHBFNI-GJZGRUSLSA-N 1 0 306.425 3.283 20 10 DGCDRO C[C@@]1(F)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660469 1091950991 /nfs/dbraw/zinc/95/09/91/1091950991.db2.gz SMBQIYUDRHOUPN-GOSISDBHSA-N 1 0 324.415 3.376 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c(O)c1 ZINC001140850771 1092029411 /nfs/dbraw/zinc/02/94/11/1092029411.db2.gz UAVLJTQDGITNRQ-LJQANCHMSA-N 1 0 318.461 3.383 20 10 DGCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140855036 1092030980 /nfs/dbraw/zinc/03/09/80/1092030980.db2.gz LCTARDHOMPJKDQ-KRWDZBQOSA-N 1 0 306.450 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1 ZINC001140855400 1092031452 /nfs/dbraw/zinc/03/14/52/1092031452.db2.gz XYTQFFOONXEHBD-INIZCTEOSA-N 1 0 310.388 3.470 20 10 DGCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140855037 1092031746 /nfs/dbraw/zinc/03/17/46/1092031746.db2.gz LCTARDHOMPJKDQ-QGZVFWFLSA-N 1 0 306.450 3.239 20 10 DGCDRO CC(C)C[NH+]1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140922189 1092062157 /nfs/dbraw/zinc/06/21/57/1092062157.db2.gz JTMGEQVBHUGKFT-UHFFFAOYSA-N 1 0 309.885 3.180 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@](O)(CF)C2)c(Cl)c1 ZINC001140921471 1092063459 /nfs/dbraw/zinc/06/34/59/1092063459.db2.gz DYWJQMIDBXPOJK-INIZCTEOSA-N 1 0 314.832 3.093 20 10 DGCDRO CN(C)c1ccc(CN2CCc3ncsc3C2)c(Cl)c1 ZINC001140925116 1092064773 /nfs/dbraw/zinc/06/47/73/1092064773.db2.gz NXAJQAFIOYHGRR-UHFFFAOYSA-N 1 0 307.850 3.421 20 10 DGCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926017 1092066713 /nfs/dbraw/zinc/06/67/13/1092066713.db2.gz XMWSNINMBQOZME-ZDUSSCGKSA-N 1 0 324.852 3.181 20 10 DGCDRO Cc1noc([C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3Cl)C2)n1 ZINC001140926083 1092066929 /nfs/dbraw/zinc/06/69/29/1092066929.db2.gz YXEKAZIRNXCQQW-ZDUSSCGKSA-N 1 0 320.824 3.087 20 10 DGCDRO CCC[NH+]1C[C@H]2CN(Cc3ccc(N(C)C)cc3Cl)C[C@@H]2C1 ZINC001140926542 1092066953 /nfs/dbraw/zinc/06/69/53/1092066953.db2.gz NHKQKNODJCUIKB-HOTGVXAUSA-N 1 0 321.896 3.180 20 10 DGCDRO CCC[NH+]1C[C@@H]2CN(Cc3ccc(N(C)C)cc3Cl)C[C@H]2C1 ZINC001140926543 1092067057 /nfs/dbraw/zinc/06/70/57/1092067057.db2.gz NHKQKNODJCUIKB-HZPDHXFCSA-N 1 0 321.896 3.180 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1 ZINC001207700173 1092073561 /nfs/dbraw/zinc/07/35/61/1092073561.db2.gz LYWSGEBTZZDVFC-KRWDZBQOSA-N 1 0 319.445 3.333 20 10 DGCDRO Cc1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)c(O)c1 ZINC001140950019 1092074344 /nfs/dbraw/zinc/07/43/44/1092074344.db2.gz QXPXCCFZJXYRHW-UHFFFAOYSA-N 1 0 323.392 3.362 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140948015 1092074399 /nfs/dbraw/zinc/07/43/99/1092074399.db2.gz PQPNTLGNFCMGFF-SFHVURJKSA-N 1 0 305.418 3.256 20 10 DGCDRO COc1cccc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)c1 ZINC001140948772 1092076068 /nfs/dbraw/zinc/07/60/68/1092076068.db2.gz ZJQXYECKFCFWFH-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001140952397 1092077810 /nfs/dbraw/zinc/07/78/10/1092077810.db2.gz QGNUZBHARUONQO-UHFFFAOYSA-N 1 0 320.433 3.143 20 10 DGCDRO Cc1ccc(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)c(O)c1 ZINC001140958354 1092082386 /nfs/dbraw/zinc/08/23/86/1092082386.db2.gz YUXGIJGEZJVSQZ-UHFFFAOYSA-N 1 0 322.449 3.437 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(OC)c1 ZINC001141028818 1092110488 /nfs/dbraw/zinc/11/04/88/1092110488.db2.gz AWXWXUXWJVRTNJ-MRXNPFEDSA-N 1 0 314.385 3.142 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCC3CSC3)CC2)cc1 ZINC001207844538 1092118449 /nfs/dbraw/zinc/11/84/49/1092118449.db2.gz OJKQISRXVFJBDB-UHFFFAOYSA-N 1 0 306.475 3.007 20 10 DGCDRO CC[N@H+](C)[C@@H]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001207867023 1092124668 /nfs/dbraw/zinc/12/46/68/1092124668.db2.gz YVNGVGGYSQFUEG-OAHLLOKOSA-N 1 0 320.477 3.224 20 10 DGCDRO CCC[N@H+](CCOC)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074510 1092128202 /nfs/dbraw/zinc/12/82/02/1092128202.db2.gz KIOZSWJIRIZEPA-UHFFFAOYSA-N 1 0 302.462 3.244 20 10 DGCDRO c1cc2c(cn1)CC[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075080 1092129702 /nfs/dbraw/zinc/12/97/02/1092129702.db2.gz XZQPNNHEARSLPD-UHFFFAOYSA-N 1 0 319.452 3.339 20 10 DGCDRO F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076243 1092130116 /nfs/dbraw/zinc/13/01/16/1092130116.db2.gz NZTGTHNPXNKUJQ-OKZBNKHCSA-N 1 0 300.421 3.318 20 10 DGCDRO CC(C)O[C@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078302 1092131217 /nfs/dbraw/zinc/13/12/17/1092131217.db2.gz QSHRMCNLXQIBKM-IBGZPJMESA-N 1 0 314.473 3.385 20 10 DGCDRO CN(Cc1ccc2c(c1)OCCN2C)Cc1cccc(F)c1F ZINC001141145075 1092150348 /nfs/dbraw/zinc/15/03/48/1092150348.db2.gz PEFRROFLNXLDET-UHFFFAOYSA-N 1 0 318.367 3.425 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC3(CC2)OCc2ccccc23)c1 ZINC001141159234 1092155468 /nfs/dbraw/zinc/15/54/68/1092155468.db2.gz DCSCRRAYKBUZBW-UHFFFAOYSA-N 1 0 311.381 3.119 20 10 DGCDRO COc1ccc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141159109 1092155849 /nfs/dbraw/zinc/15/58/49/1092155849.db2.gz ZJELJOCPFBNDGH-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1ccc(C2=CC[N@H+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141162156 1092157503 /nfs/dbraw/zinc/15/75/03/1092157503.db2.gz LWALJUNPDWYYLY-UHFFFAOYSA-N 1 0 311.381 3.396 20 10 DGCDRO CC/C(C)=C\C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001491724856 1092212678 /nfs/dbraw/zinc/21/26/78/1092212678.db2.gz BCRITJFSCBWPOQ-QXSWTLKVSA-N 1 0 316.445 3.050 20 10 DGCDRO Cc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(Cl)n1 ZINC001142144010 1092419112 /nfs/dbraw/zinc/41/91/12/1092419112.db2.gz QEYIAXQJDWLZIB-UHFFFAOYSA-N 1 0 318.804 3.403 20 10 DGCDRO CN(CC[N@H+](C)Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142530966 1092496641 /nfs/dbraw/zinc/49/66/41/1092496641.db2.gz MUFQPGSUAVJSST-UHFFFAOYSA-N 1 0 320.383 3.234 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169044618 1092501014 /nfs/dbraw/zinc/50/10/14/1092501014.db2.gz IMKASRXSQINHDB-NVXWUHKLSA-N 1 0 305.422 3.020 20 10 DGCDRO CC(C)(C)c1cccc(C[NH+]2CCC3(CC(=O)CO3)CC2)c1O ZINC001143104702 1092615332 /nfs/dbraw/zinc/61/53/32/1092615332.db2.gz XSEKKXLXBLDHMN-UHFFFAOYSA-N 1 0 317.429 3.014 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@](O)(CF)CC2)c1O ZINC001143103840 1092615423 /nfs/dbraw/zinc/61/54/23/1092615423.db2.gz LQSXWYBNOBDYAN-GOSISDBHSA-N 1 0 309.425 3.376 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143111849 1092616847 /nfs/dbraw/zinc/61/68/47/1092616847.db2.gz GRKOTMGAWOQRBM-CQSZACIVSA-N 1 0 319.445 3.465 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1O ZINC001143116830 1092618165 /nfs/dbraw/zinc/61/81/65/1092618165.db2.gz LRCFTFFMQZNBMB-ZFWWWQNUSA-N 1 0 301.430 3.491 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCN(CCF)CC2)cc1 ZINC001209520093 1092808321 /nfs/dbraw/zinc/80/83/21/1092808321.db2.gz MRFQUBQTLADNNE-UHFFFAOYSA-N 1 0 315.436 3.181 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc(F)c1O ZINC001209528596 1092812364 /nfs/dbraw/zinc/81/23/64/1092812364.db2.gz IEPWPTDWYKYRAR-UHFFFAOYSA-N 1 0 318.392 3.238 20 10 DGCDRO Cc1cc(CN2CC[NH2+]C[C@H]2c2ccccc2)ccc1N(C)C ZINC001210215695 1093082074 /nfs/dbraw/zinc/08/20/74/1093082074.db2.gz LDCAGNRXNXRIQA-FQEVSTJZSA-N 1 0 309.457 3.208 20 10 DGCDRO CC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)CC(F)(F)F ZINC000402549399 1094032899 /nfs/dbraw/zinc/03/28/99/1094032899.db2.gz DMNBHOSQXLLGEW-VIFPVBQESA-N 1 0 305.296 3.189 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001120361739 1094413612 /nfs/dbraw/zinc/41/36/12/1094413612.db2.gz BFFWLAPBFTYCIR-VXHCAWKWSA-N 1 0 309.409 3.497 20 10 DGCDRO C[C@]1([NH2+]Cc2cc(F)ccc2O)CCN(Cc2ccccc2)C1 ZINC000405951846 1094459972 /nfs/dbraw/zinc/45/99/72/1094459972.db2.gz GQTLUUYFMZNTCZ-IBGZPJMESA-N 1 0 314.404 3.286 20 10 DGCDRO Cc1ccc2c(c1)CC[C@@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218036774 1094572665 /nfs/dbraw/zinc/57/26/65/1094572665.db2.gz XRDLPESBTJHPCL-FQEVSTJZSA-N 1 0 308.425 3.471 20 10 DGCDRO CC(C)[NH2+]C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001337026152 1094821164 /nfs/dbraw/zinc/82/11/64/1094821164.db2.gz NSXKSOUQEMOQFV-UHFFFAOYSA-N 1 0 301.478 3.249 20 10 DGCDRO Oc1ccc(CC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)cc1O ZINC001170896947 1094895163 /nfs/dbraw/zinc/89/51/63/1094895163.db2.gz KVGVRQAPFOYHNO-CQSZACIVSA-N 1 0 317.816 3.441 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001136300193 1094979772 /nfs/dbraw/zinc/97/97/72/1094979772.db2.gz IUOVYLUTIXCIDK-KRWDZBQOSA-N 1 0 317.477 3.022 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000697820964 1095050923 /nfs/dbraw/zinc/05/09/23/1095050923.db2.gz AIWLRTJRLQUKGS-JSGCOSHPSA-N 1 0 320.433 3.130 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001337786145 1095095506 /nfs/dbraw/zinc/09/55/06/1095095506.db2.gz VDEVLGNCGBMLCT-WFASDCNBSA-N 1 0 310.397 3.138 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@](C)(O)C(F)(F)F ZINC001337800184 1095100054 /nfs/dbraw/zinc/10/00/54/1095100054.db2.gz LHHBXINPABQDNS-ISTVAULSSA-N 1 0 303.324 3.152 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N(C)C)cc1 ZINC001338889954 1095425552 /nfs/dbraw/zinc/42/55/52/1095425552.db2.gz YKYOIVNPXBLVJN-RTBURBONSA-N 1 0 303.494 3.495 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222282299 1095528594 /nfs/dbraw/zinc/52/85/94/1095528594.db2.gz ILXOTERHUJYJTJ-HXUWFJFHSA-N 1 0 309.457 3.422 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@]3(CC[NH2+]3)C2)c2ccccc21 ZINC001222282920 1095529243 /nfs/dbraw/zinc/52/92/43/1095529243.db2.gz QVBBWLVPBGCDKV-FQEVSTJZSA-N 1 0 309.457 3.234 20 10 DGCDRO C[C@H]([N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1)C1(C)CC1 ZINC001116449155 1095559894 /nfs/dbraw/zinc/55/98/94/1095559894.db2.gz GEPCVGDSSNTUKC-HNNXBMFYSA-N 1 0 319.468 3.198 20 10 DGCDRO CC(C)(C)c1ccc(CN2CCC[C@]3(CCC[NH2+]3)C2)c(O)c1 ZINC001222354821 1095570171 /nfs/dbraw/zinc/57/01/71/1095570171.db2.gz NWQITNUCCAJOHT-LJQANCHMSA-N 1 0 302.462 3.408 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222396287 1095592618 /nfs/dbraw/zinc/59/26/18/1095592618.db2.gz QPAMRHMYLULZPT-INIZCTEOSA-N 1 0 312.816 3.293 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222397029 1095593015 /nfs/dbraw/zinc/59/30/15/1095593015.db2.gz YSLQYBVTZLSBQH-INIZCTEOSA-N 1 0 312.816 3.293 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222397030 1095593158 /nfs/dbraw/zinc/59/31/58/1095593158.db2.gz YSLQYBVTZLSBQH-MRXNPFEDSA-N 1 0 312.816 3.293 20 10 DGCDRO Cc1cc(C[N@@H+]2CCCN(c3ccccn3)CC2)ccc1N(C)C ZINC001139669751 1095608216 /nfs/dbraw/zinc/60/82/16/1095608216.db2.gz LENCXPVVXUGWAY-UHFFFAOYSA-N 1 0 324.472 3.168 20 10 DGCDRO CNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC001116585215 1095608429 /nfs/dbraw/zinc/60/84/29/1095608429.db2.gz UBIHOUAWDWPURT-CZUORRHYSA-N 1 0 324.424 3.398 20 10 DGCDRO Cc1cc(CN2CCC([NH+]3CCCC3)CC2)ccc1N(C)C ZINC001139669777 1095612721 /nfs/dbraw/zinc/61/27/21/1095612721.db2.gz MXRUECPRNXZCFL-UHFFFAOYSA-N 1 0 301.478 3.121 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222476903 1095634124 /nfs/dbraw/zinc/63/41/24/1095634124.db2.gz DEBFQQWMACOGBL-AWEZNQCLSA-N 1 0 301.217 3.027 20 10 DGCDRO Oc1ccc(Br)cc1CNc1[nH+]ccc2c1CCN2 ZINC001171174592 1095643975 /nfs/dbraw/zinc/64/39/75/1095643975.db2.gz WWIAAPXJHSWCSI-UHFFFAOYSA-N 1 0 320.190 3.130 20 10 DGCDRO CCc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(O)c1 ZINC001222610270 1095692503 /nfs/dbraw/zinc/69/25/03/1095692503.db2.gz WOWDOMGBGOGHIU-IBGZPJMESA-N 1 0 322.452 3.144 20 10 DGCDRO CC[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C ZINC001117748317 1095829807 /nfs/dbraw/zinc/82/98/07/1095829807.db2.gz WHFDIOZWSZTFQQ-UHFFFAOYSA-N 1 0 307.457 3.198 20 10 DGCDRO CC(C)OCC[NH+](CCOC(C)C)Cc1cccc(F)c1[O-] ZINC001138127509 1095900542 /nfs/dbraw/zinc/90/05/42/1095900542.db2.gz HJAOSXNXEWVMKK-UHFFFAOYSA-N 1 0 313.413 3.183 20 10 DGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C2(C)CC2)c1O ZINC001118387030 1095993865 /nfs/dbraw/zinc/99/38/65/1095993865.db2.gz LDAFLWGFKPHGAY-MRVPVSSYSA-N 1 0 300.196 3.366 20 10 DGCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc[nH]2)cc1F ZINC001277009198 1096324538 /nfs/dbraw/zinc/32/45/38/1096324538.db2.gz GVGPVWIDQSSBQF-IRXDYDNUSA-N 1 0 315.392 3.016 20 10 DGCDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2ccccc2O)CC1 ZINC001171867497 1096994545 /nfs/dbraw/zinc/99/45/45/1096994545.db2.gz ZUPNSKMSTVSXTL-SFHVURJKSA-N 1 0 324.424 3.177 20 10 DGCDRO CCOCC[C@H](C)[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172428526 1097138232 /nfs/dbraw/zinc/13/82/32/1097138232.db2.gz ITZIGNQDGINFAJ-AWEZNQCLSA-N 1 0 316.445 3.360 20 10 DGCDRO CC(C)OCC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001172451317 1097157770 /nfs/dbraw/zinc/15/77/70/1097157770.db2.gz PLJNFDFFSMJSSR-KRWDZBQOSA-N 1 0 320.477 3.159 20 10 DGCDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001172599540 1097191380 /nfs/dbraw/zinc/19/13/80/1097191380.db2.gz IOGJDUHEVITHSE-RDJZCZTQSA-N 1 0 313.397 3.367 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001172600638 1097191538 /nfs/dbraw/zinc/19/15/38/1097191538.db2.gz FPCJWHSPWLTUGF-IMJJTQAJSA-N 1 0 304.434 3.135 20 10 DGCDRO CCOC(=O)[C@@H]1CC12CCC([N@H+](C)Cc1ccccc1O)CC2 ZINC001173617991 1097483301 /nfs/dbraw/zinc/48/33/01/1097483301.db2.gz CTALTYMWGKQRAM-WUJZJPHMSA-N 1 0 317.429 3.336 20 10 DGCDRO Oc1ccc2ccccc2c1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001231588177 1097785183 /nfs/dbraw/zinc/78/51/83/1097785183.db2.gz SYCAKTQVOISUHE-UHFFFAOYSA-N 1 0 322.452 3.463 20 10 DGCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590382 1097786144 /nfs/dbraw/zinc/78/61/44/1097786144.db2.gz XCRQQSFMEONXHW-ZFWWWQNUSA-N 1 0 313.397 3.176 20 10 DGCDRO O=C1CCC2(CC[NH+](Cc3c(O)ccc4ccccc43)CC2)O1 ZINC001231590339 1097786266 /nfs/dbraw/zinc/78/62/66/1097786266.db2.gz UWZIJFONBFVVKH-UHFFFAOYSA-N 1 0 311.381 3.217 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231589988 1097786274 /nfs/dbraw/zinc/78/62/74/1097786274.db2.gz XJOHNQUBJDVCTK-HNNXBMFYSA-N 1 0 313.397 3.321 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3noc4ccccc43)CC2)c1O ZINC001231591136 1097787387 /nfs/dbraw/zinc/78/73/87/1097787387.db2.gz UHMMGCIOHZWSMV-UHFFFAOYSA-N 1 0 323.396 3.164 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3nccc4occc43)CC2)c1O ZINC001231592545 1097787418 /nfs/dbraw/zinc/78/74/18/1097787418.db2.gz OIAHRRGESMQFRX-UHFFFAOYSA-N 1 0 323.396 3.164 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2cccc(Cl)c2)c(O)cc1O ZINC001231635745 1097796875 /nfs/dbraw/zinc/79/68/75/1097796875.db2.gz JNHCZHKFYCXRAF-UHFFFAOYSA-N 1 0 321.804 3.434 20 10 DGCDRO COc1cc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c(O)cc1O ZINC001231632943 1097797417 /nfs/dbraw/zinc/79/74/17/1097797417.db2.gz FSODARYCXHDSFC-UHFFFAOYSA-N 1 0 313.344 3.118 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C)nc2)c(O)cc1O ZINC001231637645 1097797971 /nfs/dbraw/zinc/79/79/71/1097797971.db2.gz PJJIRTRHHRQKJJ-OAHLLOKOSA-N 1 0 314.385 3.147 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(O)cc1O ZINC001231638356 1097798072 /nfs/dbraw/zinc/79/80/72/1097798072.db2.gz YGACIFUAUOITNP-ZDUSSCGKSA-N 1 0 317.360 3.235 20 10 DGCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c(O)c1 ZINC001231842141 1097860181 /nfs/dbraw/zinc/86/01/81/1097860181.db2.gz KFZMTAGBFJWJNC-ROUUACIJSA-N 1 0 307.393 3.421 20 10 DGCDRO Cc1cc(C)c(CN2CC[NH+](C3CCCCC3)CC2)c(O)c1 ZINC001231842890 1097860417 /nfs/dbraw/zinc/86/04/17/1097860417.db2.gz QDBUEARYXUSKLE-UHFFFAOYSA-N 1 0 302.462 3.459 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001231843791 1097860949 /nfs/dbraw/zinc/86/09/49/1097860949.db2.gz AORKBNODPFGPJW-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231842153 1097861217 /nfs/dbraw/zinc/86/12/17/1097861217.db2.gz KGUYLMJLNVXVOJ-OAHLLOKOSA-N 1 0 305.418 3.174 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231849192 1097863292 /nfs/dbraw/zinc/86/32/92/1097863292.db2.gz PUSHIPATXVBENO-OAHLLOKOSA-N 1 0 305.418 3.174 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001231849227 1097863539 /nfs/dbraw/zinc/86/35/39/1097863539.db2.gz OXRSYOKBHGJOIO-OAHLLOKOSA-N 1 0 316.367 3.330 20 10 DGCDRO COc1ccccc1CN(C)Cc1ccc(N(C)C)cc1OC ZINC001231852955 1097864755 /nfs/dbraw/zinc/86/47/55/1097864755.db2.gz PUGQYVIHEJJWRD-UHFFFAOYSA-N 1 0 314.429 3.402 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OC ZINC001231853061 1097864872 /nfs/dbraw/zinc/86/48/72/1097864872.db2.gz RUXXZXLIANWHOX-FHLIZLRMSA-N 1 0 318.461 3.008 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001231852732 1097865731 /nfs/dbraw/zinc/86/57/31/1097865731.db2.gz MEFPDOCHNISOKI-MRXNPFEDSA-N 1 0 311.429 3.146 20 10 DGCDRO COc1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1OC)C2 ZINC001231853114 1097865837 /nfs/dbraw/zinc/86/58/37/1097865837.db2.gz FGXYCMVYKMWWHW-UHFFFAOYSA-N 1 0 312.413 3.286 20 10 DGCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1OC)C1CCOCC1 ZINC001231857992 1097866760 /nfs/dbraw/zinc/86/67/60/1097866760.db2.gz PKNBZOPHWGGOJV-UHFFFAOYSA-N 1 0 306.450 3.152 20 10 DGCDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2cc(Cl)c(C)cc2O)C(C)C)C1 ZINC001231870326 1097869767 /nfs/dbraw/zinc/86/97/67/1097869767.db2.gz UGGMJSUMWGCMLO-OAHLLOKOSA-N 1 0 324.852 3.185 20 10 DGCDRO CCOCC[NH+](CCOCC)Cc1cc(Cl)c(C)cc1O ZINC001231870707 1097872580 /nfs/dbraw/zinc/87/25/80/1097872580.db2.gz OZUZAZYODVMFMG-UHFFFAOYSA-N 1 0 315.841 3.229 20 10 DGCDRO CN1C(=O)CCC12CC[NH+](Cc1ccc3ccccc3c1O)CC2 ZINC001231881680 1097878151 /nfs/dbraw/zinc/87/81/51/1097878151.db2.gz AHVBUGMXWABDJS-UHFFFAOYSA-N 1 0 324.424 3.132 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1Cl ZINC001232259047 1097985033 /nfs/dbraw/zinc/98/50/33/1097985033.db2.gz HIWIIDATFXQZDR-AWEZNQCLSA-N 1 0 304.777 3.483 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)cc1Cl ZINC001232264000 1097985999 /nfs/dbraw/zinc/98/59/99/1097985999.db2.gz BYQFRCKYGLVDLA-INIZCTEOSA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(CO)CC2)cc1Cl ZINC001232266429 1097986367 /nfs/dbraw/zinc/98/63/67/1097986367.db2.gz OCRYCOWOLATAFS-MRXNPFEDSA-N 1 0 313.825 3.039 20 10 DGCDRO COc1cc(O)c(C[NH+]2CC(c3cccnc3)C2)cc1Cl ZINC001232270077 1097988830 /nfs/dbraw/zinc/98/88/30/1097988830.db2.gz SFAFRLYMRBBTBR-UHFFFAOYSA-N 1 0 304.777 3.049 20 10 DGCDRO Oc1cc(O)c(CN2CC[NH+](CC3CCCC3)CC2)cc1Cl ZINC001232267719 1097988840 /nfs/dbraw/zinc/98/88/40/1097988840.db2.gz KMKPAQNTEWKCAC-UHFFFAOYSA-N 1 0 324.852 3.059 20 10 DGCDRO COc1cccc(CC[N@H+](C)Cc2cc(Cl)c(O)cc2O)c1 ZINC001232268866 1097989118 /nfs/dbraw/zinc/98/91/18/1097989118.db2.gz UXMREASOBZVRLW-UHFFFAOYSA-N 1 0 321.804 3.434 20 10 DGCDRO COC(=O)c1c(C[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc2n1C ZINC001232403626 1098029961 /nfs/dbraw/zinc/02/99/61/1098029961.db2.gz AIDIBUPETNIBMV-OKILXGFUSA-N 1 0 314.429 3.443 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1O ZINC001175419786 1098040584 /nfs/dbraw/zinc/04/05/84/1098040584.db2.gz YJEBKEYMHWROIZ-SNVBAGLBSA-N 1 0 322.767 3.474 20 10 DGCDRO COc1cc(O)cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001232807947 1098141012 /nfs/dbraw/zinc/14/10/12/1098141012.db2.gz YNPJASDHOKWJJV-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(O)cc(OC)c1 ZINC001232809114 1098142414 /nfs/dbraw/zinc/14/24/14/1098142414.db2.gz MHHQNJOSYPZGMG-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO COc1cccc2c1CC[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232841050 1098150228 /nfs/dbraw/zinc/15/02/28/1098150228.db2.gz QWWHNOIRWXGGHP-UHFFFAOYSA-N 1 0 312.413 3.025 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCc2cccc(F)c2)c(O)c1 ZINC001232841102 1098150424 /nfs/dbraw/zinc/15/04/24/1098150424.db2.gz SNXHFRHYPQTROJ-UHFFFAOYSA-N 1 0 302.393 3.272 20 10 DGCDRO Oc1ccc2[nH]cc(C[N@@H+]3CCCc4cc(O)c(O)cc4C3)c2c1 ZINC001232869211 1098157667 /nfs/dbraw/zinc/15/76/67/1098157667.db2.gz OSOLTWHRGWQUTF-UHFFFAOYSA-N 1 0 324.380 3.233 20 10 DGCDRO CCC[N@H+](CCOC)Cc1cc(Br)cc(C)c1O ZINC001233105865 1098228095 /nfs/dbraw/zinc/22/80/95/1098228095.db2.gz BSKNXECVZCUGPG-UHFFFAOYSA-N 1 0 316.239 3.322 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C2)cc1Br ZINC001233135217 1098235466 /nfs/dbraw/zinc/23/54/66/1098235466.db2.gz OTWCDRCRKPJGFS-VIFPVBQESA-N 1 0 300.196 3.005 20 10 DGCDRO Cc1ccc2c(c1Nc1[nH]cc[nH+]1)C(=O)c1ccccc1C2=O ZINC001176085242 1098246165 /nfs/dbraw/zinc/24/61/65/1098246165.db2.gz ZLETWQONTADNHB-UHFFFAOYSA-N 1 0 303.321 3.237 20 10 DGCDRO Cc1c[nH]c(=O)c(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001233193270 1098249207 /nfs/dbraw/zinc/24/92/07/1098249207.db2.gz WBIAXCXOKPDPBU-UHFFFAOYSA-N 1 0 311.429 3.328 20 10 DGCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H]2C)c2ccccc2n1C ZINC001233270646 1098269973 /nfs/dbraw/zinc/26/99/73/1098269973.db2.gz VIXDCBPHSOZAKE-CYBMUJFWSA-N 1 0 300.402 3.339 20 10 DGCDRO CCOC(=O)c1c(C[N@H+](C)CC(C)C)c2ccccc2n1C ZINC001233270382 1098270032 /nfs/dbraw/zinc/27/00/32/1098270032.db2.gz LRQIICIEPMWNJU-UHFFFAOYSA-N 1 0 302.418 3.443 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284247 1098274246 /nfs/dbraw/zinc/27/42/46/1098274246.db2.gz NLNIGFJXORJVGR-ZIAGYGMSSA-N 1 0 319.445 3.463 20 10 DGCDRO Cc1cc(C[N@H+](C)Cc2cc(C(C)(C)C)ccc2O)n(C)n1 ZINC001233286471 1098275906 /nfs/dbraw/zinc/27/59/06/1098275906.db2.gz VIEPREGXGPWYLI-UHFFFAOYSA-N 1 0 301.434 3.364 20 10 DGCDRO CN1CCC[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]21 ZINC001233286814 1098276725 /nfs/dbraw/zinc/27/67/25/1098276725.db2.gz JQNRKSVYDMCPAE-PBHICJAKSA-N 1 0 302.462 3.216 20 10 DGCDRO Oc1c(CN2CCC[N@@H+]3CCC[C@@H]3C2)cccc1C(F)(F)F ZINC001233418141 1098324612 /nfs/dbraw/zinc/32/46/12/1098324612.db2.gz VOBXXNISPVGWKH-CYBMUJFWSA-N 1 0 314.351 3.081 20 10 DGCDRO CC[NH+](CC)CCN(C)Cc1ccc(C(F)(F)F)cc1O ZINC001233451439 1098337976 /nfs/dbraw/zinc/33/79/76/1098337976.db2.gz KTHYIOKVHUHJKQ-UHFFFAOYSA-N 1 0 304.356 3.185 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCC2(COC2)CC1 ZINC001233451547 1098337991 /nfs/dbraw/zinc/33/79/91/1098337991.db2.gz ORTJCGDJXHTBTJ-UHFFFAOYSA-N 1 0 301.308 3.023 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)[C@H]1CO ZINC001233452008 1098338893 /nfs/dbraw/zinc/33/88/93/1098338893.db2.gz HPDFHNMIOPWVJA-GWCFXTLKSA-N 1 0 303.324 3.004 20 10 DGCDRO CCCC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454083 1098341332 /nfs/dbraw/zinc/34/13/32/1098341332.db2.gz GNSYUPJUBRHSPT-UHFFFAOYSA-N 1 0 316.367 3.329 20 10 DGCDRO Oc1c(C[N@@H+]2CCc3cnccc3C2)cccc1OC(F)(F)F ZINC001233728298 1098417548 /nfs/dbraw/zinc/41/75/48/1098417548.db2.gz VLVVBEVZXRROHA-UHFFFAOYSA-N 1 0 324.302 3.244 20 10 DGCDRO Oc1c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)cccc1OC(F)(F)F ZINC001233737115 1098419568 /nfs/dbraw/zinc/41/95/68/1098419568.db2.gz WHFUGFQGZHUARA-ZJUUUORDSA-N 1 0 323.261 3.378 20 10 DGCDRO COc1ccc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001177127867 1098474696 /nfs/dbraw/zinc/47/46/96/1098474696.db2.gz SYVMXNLFOYWYBC-UHFFFAOYSA-N 1 0 313.397 3.189 20 10 DGCDRO c1ccc2c(c1)CCO[C@H]2C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001177816329 1098604490 /nfs/dbraw/zinc/60/44/90/1098604490.db2.gz KXGIRSQNKLJEDM-FQEVSTJZSA-N 1 0 309.409 3.415 20 10 DGCDRO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234993366 1098738346 /nfs/dbraw/zinc/73/83/46/1098738346.db2.gz YUPHPHIAHQDRMV-QGZVFWFLSA-N 1 0 311.381 3.197 20 10 DGCDRO CC(=O)NC1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234992874 1098739177 /nfs/dbraw/zinc/73/91/77/1098739177.db2.gz SNKRAUXWUJXSMT-UHFFFAOYSA-N 1 0 324.424 3.160 20 10 DGCDRO Oc1c(CN2CC([NH+]3CCCC3)C2)cccc1-c1ccccc1 ZINC001234996882 1098741745 /nfs/dbraw/zinc/74/17/45/1098741745.db2.gz OPVTVMPKMCFLBS-UHFFFAOYSA-N 1 0 308.425 3.339 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235116239 1098815594 /nfs/dbraw/zinc/81/55/94/1098815594.db2.gz FJMGFBIHYHYSAV-HNNXBMFYSA-N 1 0 314.351 3.129 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1O ZINC001235153126 1098840450 /nfs/dbraw/zinc/84/04/50/1098840450.db2.gz FCOAVAIQAUAEFX-KRWDZBQOSA-N 1 0 306.425 3.194 20 10 DGCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235160718 1098846415 /nfs/dbraw/zinc/84/64/15/1098846415.db2.gz QKJJAXCAGINRGQ-HNNXBMFYSA-N 1 0 310.388 3.025 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235170340 1098851983 /nfs/dbraw/zinc/85/19/83/1098851983.db2.gz FMJUBRPLCXMHFX-HXUWFJFHSA-N 1 0 313.489 3.395 20 10 DGCDRO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001178594322 1098868093 /nfs/dbraw/zinc/86/80/93/1098868093.db2.gz GPEZVVMPUZOBHR-SFHVURJKSA-N 1 0 309.409 3.364 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CC2(C1)CCC[NH2+]2 ZINC001235206082 1098875814 /nfs/dbraw/zinc/87/58/14/1098875814.db2.gz QYUXLHYERKDWIA-UHFFFAOYSA-N 1 0 312.388 3.136 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235243725 1098916850 /nfs/dbraw/zinc/91/68/50/1098916850.db2.gz XSPOMJSXUWUEGU-MRXNPFEDSA-N 1 0 308.853 3.400 20 10 DGCDRO Cc1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001235265266 1098937046 /nfs/dbraw/zinc/93/70/46/1098937046.db2.gz CMCGAWOVMSRYKG-XLIONFOSSA-N 1 0 309.457 3.278 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001235304732 1098951470 /nfs/dbraw/zinc/95/14/70/1098951470.db2.gz PDCWMIHGLKIURJ-ZWKOTPCHSA-N 1 0 312.388 3.135 20 10 DGCDRO [NH3+]C[C@]1(F)CCCCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001206371852 1099038517 /nfs/dbraw/zinc/03/85/17/1099038517.db2.gz WWHKBILIVNJTFI-CQSZACIVSA-N 1 0 320.330 3.064 20 10 DGCDRO CC[N@H+](CCCC(=O)OC)Cc1ccc(C(C)(C)C)cc1O ZINC001235674418 1099118292 /nfs/dbraw/zinc/11/82/92/1099118292.db2.gz FTAZRGHOVYHVMC-UHFFFAOYSA-N 1 0 307.434 3.465 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c(O)c1 ZINC001235679358 1099121942 /nfs/dbraw/zinc/12/19/42/1099121942.db2.gz OCKFMJCTZKKLCQ-HNNXBMFYSA-N 1 0 324.415 3.215 20 10 DGCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235678729 1099122565 /nfs/dbraw/zinc/12/25/65/1099122565.db2.gz MDAQZHPDKAOVOY-AWEZNQCLSA-N 1 0 319.445 3.465 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c(O)c1 ZINC001235680467 1099123631 /nfs/dbraw/zinc/12/36/31/1099123631.db2.gz VJGPDJHLBFJVNZ-UHFFFAOYSA-N 1 0 319.445 3.071 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)cc1F ZINC001179502469 1099125035 /nfs/dbraw/zinc/12/50/35/1099125035.db2.gz PXCYBIVOCJDVGM-HDJSIYSDSA-N 1 0 322.424 3.102 20 10 DGCDRO CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(O)c1 ZINC001235682491 1099126205 /nfs/dbraw/zinc/12/62/05/1099126205.db2.gz XMNIEGOBWZXDGA-CJNGLKHVSA-N 1 0 301.430 3.491 20 10 DGCDRO Fc1cc(C[NH2+]C[C@]23C[C@H]2CCCC3)ccc1N1CCOCC1 ZINC001179592716 1099141963 /nfs/dbraw/zinc/14/19/63/1099141963.db2.gz IIBYDCBGEOAKRU-APWZRJJASA-N 1 0 318.436 3.332 20 10 DGCDRO Oc1cccc(F)c1CN1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC001235812608 1099192686 /nfs/dbraw/zinc/19/26/86/1099192686.db2.gz RWMJAKDJBQMSEG-INIZCTEOSA-N 1 0 320.795 3.331 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235847993 1099208770 /nfs/dbraw/zinc/20/87/70/1099208770.db2.gz PIWQQAPNQZQPJY-KRWDZBQOSA-N 1 0 316.832 3.062 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235853321 1099211998 /nfs/dbraw/zinc/21/19/98/1099211998.db2.gz KLMMSLRJKCFJAG-MRXNPFEDSA-N 1 0 302.805 3.192 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235853467 1099212318 /nfs/dbraw/zinc/21/23/18/1099212318.db2.gz AQDNIROYIIJJLP-HNNXBMFYSA-N 1 0 320.795 3.331 20 10 DGCDRO CC[NH+](CC)CC[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001179829189 1099224325 /nfs/dbraw/zinc/22/43/25/1099224325.db2.gz AFUQKHSMZVRSNT-ZDUSSCGKSA-N 1 0 313.436 3.241 20 10 DGCDRO CC(C)C[C@H]1CN(Cc2cccc(C(F)(F)F)c2O)CC[NH2+]1 ZINC001235882534 1099232269 /nfs/dbraw/zinc/23/22/69/1099232269.db2.gz UWLNBKPSJFBXSJ-ZDUSSCGKSA-N 1 0 316.367 3.231 20 10 DGCDRO CCN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CCC[NH2+]C1 ZINC001236007436 1099328720 /nfs/dbraw/zinc/32/87/20/1099328720.db2.gz BWYDUPCIWDHSIS-OAHLLOKOSA-N 1 0 316.445 3.150 20 10 DGCDRO C[C@@H]1C[C@@H]([NH3+])CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001236049577 1099351229 /nfs/dbraw/zinc/35/12/29/1099351229.db2.gz FXCVZZZWRCIVTC-FZKQIMNGSA-N 1 0 314.404 3.367 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN(C1CC1)C1C[NH2+]C1 ZINC001236064048 1099364462 /nfs/dbraw/zinc/36/44/62/1099364462.db2.gz OMNSCCJNXADHES-UHFFFAOYSA-N 1 0 312.388 3.135 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC001180429512 1099403178 /nfs/dbraw/zinc/40/31/78/1099403178.db2.gz BPTLFYBNIGRISO-ZWKOTPCHSA-N 1 0 304.478 3.290 20 10 DGCDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001236144795 1099431114 /nfs/dbraw/zinc/43/11/14/1099431114.db2.gz UGHGAWMGOMCFHB-HNNXBMFYSA-N 1 0 312.413 3.223 20 10 DGCDRO CCCC[C@H]1CN(Cc2c(O)ccc(F)c2Cl)CC[NH2+]1 ZINC001236144570 1099431497 /nfs/dbraw/zinc/43/14/97/1099431497.db2.gz YWJKVNAOXXRITK-NSHDSACASA-N 1 0 300.805 3.149 20 10 DGCDRO CN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@]1(C)CCC[NH2+]C1 ZINC001236207621 1099464604 /nfs/dbraw/zinc/46/46/04/1099464604.db2.gz BZETXAIFHQNAFX-LJQANCHMSA-N 1 0 316.445 3.150 20 10 DGCDRO CN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220445 1099478286 /nfs/dbraw/zinc/47/82/86/1099478286.db2.gz ZFCHZGNVENKZGW-HOTGVXAUSA-N 1 0 316.445 3.278 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H](C)c2nc(C)cs2)cc1OC ZINC001180654337 1099483447 /nfs/dbraw/zinc/48/34/47/1099483447.db2.gz GIUZUZVAAOOHIU-JTQLQIEISA-N 1 0 322.430 3.068 20 10 DGCDRO Nc1ccc(CN(Cc2ccccc2F)C2CC[NH2+]CC2)cc1 ZINC001236368376 1099554975 /nfs/dbraw/zinc/55/49/75/1099554975.db2.gz BUIQPBWMZSJZNN-UHFFFAOYSA-N 1 0 313.420 3.162 20 10 DGCDRO [O-]c1cccc(F)c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375148 1099560066 /nfs/dbraw/zinc/56/00/66/1099560066.db2.gz XFBFDYXDXVYBSV-AWEZNQCLSA-N 1 0 306.425 3.276 20 10 DGCDRO CCCCC[N@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236772797 1099779326 /nfs/dbraw/zinc/77/93/26/1099779326.db2.gz LBXCVHSYSVGBFJ-UHFFFAOYSA-N 1 0 302.212 3.482 20 10 DGCDRO COc1cc(C[N@H+](C)CCC2CC2)c(O)cc1Br ZINC001236757768 1099771772 /nfs/dbraw/zinc/77/17/72/1099771772.db2.gz XJFMELGEWXXQNT-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236762869 1099773404 /nfs/dbraw/zinc/77/34/04/1099773404.db2.gz RYOIDEHYZQLVPI-SECBINFHSA-N 1 0 300.196 3.092 20 10 DGCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236797255 1099790563 /nfs/dbraw/zinc/79/05/63/1099790563.db2.gz WXMDFIGYDZOHKX-LLVKDONJSA-N 1 0 303.233 3.225 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2c(C)cc(OC)cc2O)cc1 ZINC001236808430 1099800559 /nfs/dbraw/zinc/80/05/59/1099800559.db2.gz PJPVOKFCRSBDMI-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c([O-])c1Cl ZINC001236812652 1099804275 /nfs/dbraw/zinc/80/42/75/1099804275.db2.gz DXPJXWZHCQCLST-ZDUSSCGKSA-N 1 0 318.804 3.439 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC3(CCCOC3)CC2)c(O)c1 ZINC001236817695 1099806833 /nfs/dbraw/zinc/80/68/33/1099806833.db2.gz GAAAFKOIFRFKLC-UHFFFAOYSA-N 1 0 305.418 3.102 20 10 DGCDRO Oc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001236826836 1099811216 /nfs/dbraw/zinc/81/12/16/1099811216.db2.gz NZUBEJVSEKAONE-ZBFHGGJFSA-N 1 0 305.324 3.011 20 10 DGCDRO CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236842616 1099825364 /nfs/dbraw/zinc/82/53/64/1099825364.db2.gz GKUJSPZBPYKWHB-LBPRGKRZSA-N 1 0 316.367 3.233 20 10 DGCDRO [O-]c1c(F)ccc(F)c1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236961139 1099890628 /nfs/dbraw/zinc/89/06/28/1099890628.db2.gz AFSVFMYBKQMHGY-UHFFFAOYSA-N 1 0 324.415 3.272 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1ccc(N)cc1 ZINC001236999093 1099919214 /nfs/dbraw/zinc/91/92/14/1099919214.db2.gz HXHHFHJYLUBSRL-IAGOWNOFSA-N 1 0 309.457 3.364 20 10 DGCDRO CCOc1ccc(CN2CCc3ncc(Cl)cc3C2)c(O)c1 ZINC001237045919 1099940913 /nfs/dbraw/zinc/94/09/13/1099940913.db2.gz KHVUKOGZHOTDGD-UHFFFAOYSA-N 1 0 318.804 3.398 20 10 DGCDRO CC(C)c1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c(O)c1 ZINC001237047896 1099941215 /nfs/dbraw/zinc/94/12/15/1099941215.db2.gz FVUBVLZVEKYNSI-UHFFFAOYSA-N 1 0 316.445 3.150 20 10 DGCDRO CC(C)c1ccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c(O)c1 ZINC001237047966 1099943096 /nfs/dbraw/zinc/94/30/96/1099943096.db2.gz BEZHNKOXYKKARC-UHFFFAOYSA-N 1 0 324.415 3.431 20 10 DGCDRO CC(C)c1ccc(C[NH+]2CCN(c3cccnc3)CC2)c(O)c1 ZINC001237044111 1099943160 /nfs/dbraw/zinc/94/31/60/1099943160.db2.gz AQKSTEASFAGOJD-UHFFFAOYSA-N 1 0 311.429 3.233 20 10 DGCDRO CCO[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2O)[C@@H]2CCCO[C@H]12 ZINC001237051480 1099944788 /nfs/dbraw/zinc/94/47/88/1099944788.db2.gz LIOKAXMSLXOYDI-QRQLOZEOSA-N 1 0 319.445 3.284 20 10 DGCDRO CC(C)c1ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)c(O)c1 ZINC001237049435 1099945691 /nfs/dbraw/zinc/94/56/91/1099945691.db2.gz OWGXYSFVBQHNEM-UHFFFAOYSA-N 1 0 303.402 3.187 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CC2(CCC2)C1 ZINC001237053309 1099948763 /nfs/dbraw/zinc/94/87/63/1099948763.db2.gz JMMCKWKXUURSSH-UHFFFAOYSA-N 1 0 301.308 3.319 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CC2CCC2)c(Br)c1 ZINC001237073920 1099956442 /nfs/dbraw/zinc/95/64/42/1099956442.db2.gz XJDGOHNWRJHJKI-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO CC(C)[NH+]1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237077097 1099956901 /nfs/dbraw/zinc/95/69/01/1099956901.db2.gz COPKEDXDJITTFO-UHFFFAOYSA-N 1 0 303.233 3.225 20 10 DGCDRO C[N@H+](Cc1c(O)cccc1OC(F)(F)F)[C@H]1CC[C@H](O)CC1 ZINC001237118502 1099979826 /nfs/dbraw/zinc/97/98/26/1099979826.db2.gz XQEQYECBODBFQP-XYPYZODXSA-N 1 0 319.323 3.026 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@@]1(C)O ZINC001237138075 1099988229 /nfs/dbraw/zinc/98/82/29/1099988229.db2.gz SVVIURHNAHPDLL-QMTHXVAHSA-N 1 0 303.324 3.004 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237139178 1099988790 /nfs/dbraw/zinc/98/87/90/1099988790.db2.gz DINIOMJCMJSMKN-IKARSPCKSA-N 1 0 313.319 3.020 20 10 DGCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237138190 1099989677 /nfs/dbraw/zinc/98/96/77/1099989677.db2.gz VPUPURRYETYKQC-QWRGUYRKSA-N 1 0 303.324 3.004 20 10 DGCDRO CC1(C)C[N@H+](Cc2cc(C(F)(F)F)ccc2O)CCCO1 ZINC001237141318 1099991585 /nfs/dbraw/zinc/99/15/85/1099991585.db2.gz VMSCRDADDBPTSR-UHFFFAOYSA-N 1 0 303.324 3.412 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001237142286 1099994642 /nfs/dbraw/zinc/99/46/42/1099994642.db2.gz GJWOWIBYKRUFNT-QMTHXVAHSA-N 1 0 301.308 3.022 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CCC([NH+]2CCC2)CC1 ZINC001237144507 1099995141 /nfs/dbraw/zinc/99/51/41/1099995141.db2.gz QRSGYDNYGDCNRE-UHFFFAOYSA-N 1 0 314.351 3.081 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237410471 1100115485 /nfs/dbraw/zinc/11/54/85/1100115485.db2.gz DNHFJECEKCLCRB-ZWNOBZJWSA-N 1 0 315.244 3.273 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001237484570 1100139363 /nfs/dbraw/zinc/13/93/63/1100139363.db2.gz FYUXUBDOFISDSM-WFASDCNBSA-N 1 0 317.351 3.226 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ccccc2F)CC1 ZINC001237489897 1100140840 /nfs/dbraw/zinc/14/08/40/1100140840.db2.gz NCWBNVZDYAGOMH-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001237489811 1100142144 /nfs/dbraw/zinc/14/21/44/1100142144.db2.gz KVHCFGSCORKTLG-UHFFFAOYSA-N 1 0 315.388 3.323 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC001237494366 1100143216 /nfs/dbraw/zinc/14/32/16/1100143216.db2.gz HQRRVZAMGQUXJP-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO Cc1cccc(O)c1CN1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001237491080 1100143731 /nfs/dbraw/zinc/14/37/31/1100143731.db2.gz GDTSQMADAUSCQM-OAHLLOKOSA-N 1 0 306.406 3.099 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCOC2)cc1Br ZINC001237684179 1100213824 /nfs/dbraw/zinc/21/38/24/1100213824.db2.gz HPBCBLIVUAFZLJ-GFCCVEGCSA-N 1 0 314.223 3.074 20 10 DGCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237622870 1100192436 /nfs/dbraw/zinc/19/24/36/1100192436.db2.gz DMTMXUPKVOTPTC-ZDUSSCGKSA-N 1 0 300.805 3.099 20 10 DGCDRO CO[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@@H]1F ZINC001237640347 1100199375 /nfs/dbraw/zinc/19/93/75/1100199375.db2.gz AJWNMHXQTZHCGG-WMZOPIPTSA-N 1 0 319.351 3.367 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001237640680 1100199662 /nfs/dbraw/zinc/19/96/62/1100199662.db2.gz DRYVOYAJXOYQOL-FUHWJXTLSA-N 1 0 319.351 3.103 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CCN1C ZINC001237648145 1100201712 /nfs/dbraw/zinc/20/17/12/1100201712.db2.gz YCDWNDDFVGUOFU-CQSZACIVSA-N 1 0 314.404 3.334 20 10 DGCDRO COc1cc(CN2CCC[C@@H]2c2nccs2)c(O)c(OC)c1 ZINC001237679002 1100211518 /nfs/dbraw/zinc/21/15/18/1100211518.db2.gz SNKSOHPXZIKFJC-CYBMUJFWSA-N 1 0 320.414 3.203 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2ccc(C)cc2)c(O)c(OC)c1 ZINC001237679035 1100212031 /nfs/dbraw/zinc/21/20/31/1100212031.db2.gz SUJOKSQTNRXZLO-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO Cc1cc(O)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1Br ZINC001237681257 1100212094 /nfs/dbraw/zinc/21/20/94/1100212094.db2.gz PZWPVUGEYYYVBX-XHVZSJERSA-N 1 0 314.198 3.253 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2cccc(C)c2)c(O)c(OC)c1 ZINC001237678092 1100213206 /nfs/dbraw/zinc/21/32/06/1100213206.db2.gz KBWINYYWXILPNB-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO [O-]c1c(Cl)cc(F)cc1C[N@H+](CCO)Cc1cccs1 ZINC001237813073 1100255451 /nfs/dbraw/zinc/25/54/51/1100255451.db2.gz KKYMZOOGJMBJLF-UHFFFAOYSA-N 1 0 315.797 3.241 20 10 DGCDRO CCOC(=O)c1ccccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001237893095 1100283864 /nfs/dbraw/zinc/28/38/64/1100283864.db2.gz VRAVPAJOYWWQBI-UHFFFAOYSA-N 1 0 311.381 3.127 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC001237936060 1100296183 /nfs/dbraw/zinc/29/61/83/1100296183.db2.gz ITUUESSAHWRZPF-UHFFFAOYSA-N 1 0 312.816 3.245 20 10 DGCDRO C[NH+]1CCC2(CC[N@H+](Cc3cc(F)c(Cl)cc3[O-])C2)CC1 ZINC001237948263 1100299523 /nfs/dbraw/zinc/29/95/23/1100299523.db2.gz BOZALOQIACOAGZ-UHFFFAOYSA-N 1 0 312.816 3.102 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c1O ZINC001238059548 1100345695 /nfs/dbraw/zinc/34/56/95/1100345695.db2.gz DOQRRHHWLZFVAF-CQSZACIVSA-N 1 0 321.314 3.119 20 10 DGCDRO CCC(=O)N(CC)C1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238068568 1100348112 /nfs/dbraw/zinc/34/81/12/1100348112.db2.gz VLJAIDFGDFNORC-UHFFFAOYSA-N 1 0 322.424 3.063 20 10 DGCDRO CCC(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CCCC1 ZINC001278216796 1100414338 /nfs/dbraw/zinc/41/43/38/1100414338.db2.gz QAZRMTKSXRDXPR-KRWDZBQOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(N(C)CC[N@@H+](C)C[C@H](CC(C)C)OC)cc1 ZINC001195789299 1101202129 /nfs/dbraw/zinc/20/21/29/1101202129.db2.gz LJCNLPKCBVTNMC-SFHVURJKSA-N 1 0 308.466 3.124 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1OC ZINC001200972486 1102451126 /nfs/dbraw/zinc/45/11/26/1102451126.db2.gz YHMDZTSVUUBXOX-SCTDSRPQSA-N 1 0 319.445 3.279 20 10 DGCDRO CC(C)C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001201482857 1102626334 /nfs/dbraw/zinc/62/63/34/1102626334.db2.gz OPZSIEVWUHDHJG-UHFFFAOYSA-N 1 0 302.340 3.363 20 10 DGCDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001202281046 1102924084 /nfs/dbraw/zinc/92/40/84/1102924084.db2.gz RZZHQVMXIPDBCA-GOSISDBHSA-N 1 0 302.462 3.222 20 10 DGCDRO CCCN1C[C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1=O ZINC001325489291 1103051728 /nfs/dbraw/zinc/05/17/28/1103051728.db2.gz KBCQTKRJTXRLIC-SOUVJXGZSA-N 1 0 316.445 3.097 20 10 DGCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001326143909 1103216468 /nfs/dbraw/zinc/21/64/68/1103216468.db2.gz ALIDIFFWVJZJNS-HXUWFJFHSA-N 1 0 324.468 3.288 20 10 DGCDRO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)c(C)n1-c1ccccc1 ZINC001276362515 1103539377 /nfs/dbraw/zinc/53/93/77/1103539377.db2.gz DWSWWUKTCKIPEN-PMACEKPBSA-N 1 0 309.457 3.373 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC001276372209 1103689607 /nfs/dbraw/zinc/68/96/07/1103689607.db2.gz JOQUUYDTIPHBTD-KRWDZBQOSA-N 1 0 308.853 3.272 20 10 DGCDRO CC(C)c1noc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)n1 ZINC001328107054 1103847991 /nfs/dbraw/zinc/84/79/91/1103847991.db2.gz HTFKOHGHUYWMOR-AATRIKPKSA-N 1 0 314.433 3.105 20 10 DGCDRO CC(C)c1noc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2O)n1 ZINC001328713883 1104032389 /nfs/dbraw/zinc/03/23/89/1104032389.db2.gz OFSBZJKZTUJFQS-JTQLQIEISA-N 1 0 309.797 3.445 20 10 DGCDRO C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC001329023673 1104127250 /nfs/dbraw/zinc/12/72/50/1104127250.db2.gz MQVXFSLVLLVMOV-CABCVRRESA-N 1 0 307.457 3.465 20 10 DGCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1c(O)cccc1Br ZINC001329139432 1104167737 /nfs/dbraw/zinc/16/77/37/1104167737.db2.gz DYIKRMDAYWPEFZ-MNOVXSKESA-N 1 0 316.239 3.041 20 10 DGCDRO CCC1([NH2+]Cc2ccc(Br)cc2O)CCOCC1 ZINC000691391742 1104327668 /nfs/dbraw/zinc/32/76/68/1104327668.db2.gz LNDJDWIGLGIVHV-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CCc1ccc(N)cc1 ZINC001246467010 1104550804 /nfs/dbraw/zinc/55/08/04/1104550804.db2.gz RHRZXTNKTNCPKN-KRWDZBQOSA-N 1 0 312.413 3.151 20 10 DGCDRO Cc1ccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)nc2c1C ZINC001247014790 1104778006 /nfs/dbraw/zinc/77/80/06/1104778006.db2.gz QCEOGHPCJLSXJC-UHFFFAOYSA-N 1 0 306.413 3.256 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CC[NH2+]C3)n2)cc1 ZINC001248184986 1105062396 /nfs/dbraw/zinc/06/23/96/1105062396.db2.gz VERAJCNSCFZXQH-HNNXBMFYSA-N 1 0 308.385 3.221 20 10 DGCDRO C[NH+](C)CCCOc1ccc(Nc2cccc(O)c2O)cc1 ZINC001248414212 1105111049 /nfs/dbraw/zinc/11/10/49/1105111049.db2.gz XWUHPBFYNUTXHK-UHFFFAOYSA-N 1 0 302.374 3.172 20 10 DGCDRO Cn1ccc(-c2ccc(C[N@@H+]3CCc4cccc(O)c4C3)cc2)n1 ZINC001248767085 1105158437 /nfs/dbraw/zinc/15/84/37/1105158437.db2.gz STIMIWCXPRKKPQ-UHFFFAOYSA-N 1 0 319.408 3.351 20 10 DGCDRO C[C@H]1COCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249223809 1105249756 /nfs/dbraw/zinc/24/97/56/1105249756.db2.gz NFDHGVFHCYSGRH-CYBMUJFWSA-N 1 0 303.402 3.045 20 10 DGCDRO Cc1ccc(F)cc1-c1noc(C[C@@H]([NH3+])c2ccccc2O)n1 ZINC001249339106 1105270598 /nfs/dbraw/zinc/27/05/98/1105270598.db2.gz JCSSZZJSYZFPSL-CQSZACIVSA-N 1 0 313.332 3.132 20 10 DGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001250120606 1105446198 /nfs/dbraw/zinc/44/61/98/1105446198.db2.gz KMNCFXPRQXEOEH-GFCCVEGCSA-N 1 0 314.223 3.074 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2(C)CCCC2)cc1C ZINC001491539346 1105841035 /nfs/dbraw/zinc/84/10/35/1105841035.db2.gz JADXUULXBSGGCI-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO O[C@@]1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCc2ccccc21 ZINC001254197342 1106032451 /nfs/dbraw/zinc/03/24/51/1106032451.db2.gz XXJSJEKMZAURSQ-OAQYLSRUSA-N 1 0 322.452 3.210 20 10 DGCDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1 ZINC001254544900 1106099843 /nfs/dbraw/zinc/09/98/43/1106099843.db2.gz YUHQQCWZNZXUKO-CQSZACIVSA-N 1 0 313.401 3.382 20 10 DGCDRO Cc1cc(C)c(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(O)c1 ZINC001254585229 1106109051 /nfs/dbraw/zinc/10/90/51/1106109051.db2.gz LWVDAJKUOYFMFU-OAHLLOKOSA-N 1 0 312.369 3.174 20 10 DGCDRO COc1ccc(N2CC[NH+](C3CCSCC3)CC2)c(C)c1 ZINC001255095934 1106177996 /nfs/dbraw/zinc/17/79/96/1106177996.db2.gz FYFHHJGMHFPWCX-UHFFFAOYSA-N 1 0 306.475 3.021 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001255353876 1106230981 /nfs/dbraw/zinc/23/09/81/1106230981.db2.gz QADGLMYITJHCSI-CABCVRRESA-N 1 0 305.418 3.221 20 10 DGCDRO c1nc2n(c1C[NH2+]Cc1ccc(N3CCCC3)cc1)CCCC2 ZINC001257261485 1106558478 /nfs/dbraw/zinc/55/84/78/1106558478.db2.gz NZMFSJRNHMUMHZ-UHFFFAOYSA-N 1 0 310.445 3.109 20 10 DGCDRO COC(=O)C1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001257857320 1106635139 /nfs/dbraw/zinc/63/51/39/1106635139.db2.gz OMTWGQOKWXBESB-JEYLPNPQSA-N 1 0 304.434 3.135 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCc2nc(C(C)C)no2)c(O)c1C ZINC001320131158 1106890355 /nfs/dbraw/zinc/89/03/55/1106890355.db2.gz DCIGOFBFHGDOLE-ZDUSSCGKSA-N 1 0 303.406 3.409 20 10 DGCDRO C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258735764 1106939622 /nfs/dbraw/zinc/93/96/22/1106939622.db2.gz BFVCUMMQTBDLBH-PIGZYNQJSA-N 1 0 321.804 3.005 20 10 DGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320422151 1107000176 /nfs/dbraw/zinc/00/01/76/1107000176.db2.gz BPIVKUYZBMAGMG-CRAIPNDOSA-N 1 0 319.468 3.198 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C(=O)OC)cc1F ZINC001320835708 1107156615 /nfs/dbraw/zinc/15/66/15/1107156615.db2.gz AWVIFZWBQTYKFZ-HOCLYGCPSA-N 1 0 322.424 3.103 20 10 DGCDRO Cc1cc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1C(C)C ZINC001320931264 1107193740 /nfs/dbraw/zinc/19/37/40/1107193740.db2.gz VDENBDCYBWRKME-QGZVFWFLSA-N 1 0 302.462 3.494 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCN(C)CC(F)(F)F ZINC001321022756 1107223496 /nfs/dbraw/zinc/22/34/96/1107223496.db2.gz ICOYIDNJZZXWDJ-RYUDHWBXSA-N 1 0 316.367 3.333 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCN(C)CC(F)(F)F ZINC001321022755 1107223735 /nfs/dbraw/zinc/22/37/35/1107223735.db2.gz ICOYIDNJZZXWDJ-NWDGAFQWSA-N 1 0 316.367 3.333 20 10 DGCDRO CC(C)=CCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321027139 1107224887 /nfs/dbraw/zinc/22/48/87/1107224887.db2.gz CIRUIJOVXMDCPS-UHFFFAOYSA-N 1 0 305.441 3.023 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)CO[C@@H]1CCOC1 ZINC001321024801 1107225268 /nfs/dbraw/zinc/22/52/68/1107225268.db2.gz VWGRKGKLUXNEJG-TUVASFSCSA-N 1 0 305.418 3.033 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)CO[C@H]1CCOC1 ZINC001321024799 1107226212 /nfs/dbraw/zinc/22/62/12/1107226212.db2.gz VWGRKGKLUXNEJG-KBXIAJHMSA-N 1 0 305.418 3.033 20 10 DGCDRO C[C@H](CO)[N@@H+](Cc1ccc(N2CCCC2)cc1)CC1CCC1 ZINC001261177211 1107355473 /nfs/dbraw/zinc/35/54/73/1107355473.db2.gz ODKWIRNDAVDPSY-MRXNPFEDSA-N 1 0 302.462 3.270 20 10 DGCDRO CCCN(Cc1cccc(C(=O)OC)c1)c1ccc(C[NH3+])cc1 ZINC001321559687 1107380996 /nfs/dbraw/zinc/38/09/96/1107380996.db2.gz SYDQHUXWXBNYFH-UHFFFAOYSA-N 1 0 312.413 3.349 20 10 DGCDRO [NH3+][C@H]1Cc2ccccc2N(Cc2ccc(N3CCCC3)cc2)C1 ZINC001261370585 1107420127 /nfs/dbraw/zinc/42/01/27/1107420127.db2.gz NRYGCVSNGGCQEP-SFHVURJKSA-N 1 0 307.441 3.177 20 10 DGCDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2ccc(N3CCCC3)cc2)C1 ZINC001261370584 1107420833 /nfs/dbraw/zinc/42/08/33/1107420833.db2.gz NRYGCVSNGGCQEP-GOSISDBHSA-N 1 0 307.441 3.177 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC001261559658 1107465707 /nfs/dbraw/zinc/46/57/07/1107465707.db2.gz VFPFZZRWSXDZHQ-HNNXBMFYSA-N 1 0 313.445 3.143 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](CCCO)C2)c(O)c(C(C)(C)C)c1 ZINC001261677617 1107504920 /nfs/dbraw/zinc/50/49/20/1107504920.db2.gz WXEFOISMMUSLPO-CQSZACIVSA-N 1 0 321.461 3.293 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CC3CC(OCC)C3)CC2)cc1 ZINC001323546065 1108009633 /nfs/dbraw/zinc/00/96/33/1108009633.db2.gz MJYQSBFPTLQIDQ-UHFFFAOYSA-N 1 0 318.461 3.022 20 10 DGCDRO CCNC(=O)C(C)(C)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001323829805 1108097655 /nfs/dbraw/zinc/09/76/55/1108097655.db2.gz MXEHTCTUKBVMCP-STQMWFEESA-N 1 0 304.434 3.001 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccc(N(C)C)n1 ZINC001323830045 1108098567 /nfs/dbraw/zinc/09/85/67/1108098567.db2.gz PAWIVVOFIHGLMD-ZFWWWQNUSA-N 1 0 311.429 3.500 20 10 DGCDRO COC(=O)C[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)C(C)(C)C ZINC001474725042 1108134719 /nfs/dbraw/zinc/13/47/19/1108134719.db2.gz ARFZAOTVBMAGEY-CQSZACIVSA-N 1 0 313.825 3.421 20 10 DGCDRO CC(C)C[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001324716996 1108440075 /nfs/dbraw/zinc/44/00/75/1108440075.db2.gz VKRHAKQKMZXANK-UHFFFAOYSA-N 1 0 319.468 3.198 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCC2CC2)cc1C ZINC001319435220 1108465573 /nfs/dbraw/zinc/46/55/73/1108465573.db2.gz AVZOHPQPWJVULQ-OAHLLOKOSA-N 1 0 318.461 3.130 20 10 DGCDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001324976940 1108546186 /nfs/dbraw/zinc/54/61/86/1108546186.db2.gz UKMVBEDRTVUMKV-JSGCOSHPSA-N 1 0 316.367 3.429 20 10 DGCDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2c(O)cccc2OC)cc1 ZINC001319716453 1108608255 /nfs/dbraw/zinc/60/82/55/1108608255.db2.gz PUORDOOPUJZUOR-CQSZACIVSA-N 1 0 315.413 3.472 20 10 DGCDRO CCOC(=O)/C=C/C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC001307424444 1111297972 /nfs/dbraw/zinc/29/79/72/1111297972.db2.gz QUQZGTUTZKLOBU-BQYQJAHWSA-N 1 0 304.434 3.082 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@]23C[C@H]2COC3(C)C)cc1F ZINC001308463968 1111431623 /nfs/dbraw/zinc/43/16/23/1111431623.db2.gz JFQSIBAPXGAVCM-KBXCAEBGSA-N 1 0 306.425 3.329 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](CCO)C2CCCCC2)cc1F ZINC001308560259 1111444413 /nfs/dbraw/zinc/44/44/13/1111444413.db2.gz INJQWMKFSPWBDS-UHFFFAOYSA-N 1 0 312.404 3.158 20 10 DGCDRO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2ccc(F)c(F)c2[O-])cc1 ZINC001308603438 1111450214 /nfs/dbraw/zinc/45/02/14/1111450214.db2.gz KWHBFIBHUYMQMR-AWEZNQCLSA-N 1 0 319.351 3.496 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001308609574 1111451326 /nfs/dbraw/zinc/45/13/26/1111451326.db2.gz CHPXNTRCGJFCGY-AWEZNQCLSA-N 1 0 310.388 3.121 20 10 DGCDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001308625796 1111452654 /nfs/dbraw/zinc/45/26/54/1111452654.db2.gz MKFCTFMUXRMXMS-CYBMUJFWSA-N 1 0 305.805 3.429 20 10 DGCDRO CCc1cccc(C[N@H+](C)CCOc2ccc(OC)cc2)c1O ZINC001308654047 1111457037 /nfs/dbraw/zinc/45/70/37/1111457037.db2.gz HJZNHUJQQXKYBA-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC001308667836 1111458375 /nfs/dbraw/zinc/45/83/75/1111458375.db2.gz GGWIADCZUXLCLO-APWZRJJASA-N 1 0 310.441 3.311 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)c(O)c1 ZINC001308674542 1111459226 /nfs/dbraw/zinc/45/92/26/1111459226.db2.gz RPJOYQRLTMTLNL-OAHLLOKOSA-N 1 0 318.804 3.060 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(OC)c(O)c2)c1 ZINC000092405211 185316390 /nfs/dbraw/zinc/31/63/90/185316390.db2.gz DKBWJODPXZJYNF-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000360638426 529780292 /nfs/dbraw/zinc/78/02/92/529780292.db2.gz NUBRGCFJWYRHHL-UHFFFAOYSA-N 1 0 318.852 3.440 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1F ZINC000371811955 529780375 /nfs/dbraw/zinc/78/03/75/529780375.db2.gz YVDBQOJOMXCXKH-INIZCTEOSA-N 1 0 306.425 3.140 20 10 DGCDRO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C)c2O)c1C ZINC000179578189 432063497 /nfs/dbraw/zinc/06/34/97/432063497.db2.gz FNOZUAFJWJPZSC-UHFFFAOYSA-N 1 0 312.413 3.388 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1O ZINC000179706503 432068751 /nfs/dbraw/zinc/06/87/51/432068751.db2.gz KWRMSWPGBRDXOE-MRXNPFEDSA-N 1 0 300.402 3.467 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC([NH2+]C(C)C)CC2)cc1 ZINC000179837630 432072001 /nfs/dbraw/zinc/07/20/01/432072001.db2.gz XDKYGNXPCWWDOV-UHFFFAOYSA-N 1 0 303.494 3.495 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000093360302 193239050 /nfs/dbraw/zinc/23/90/50/193239050.db2.gz WHSQEBIRZWYOOA-CYBMUJFWSA-N 1 0 308.422 3.046 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)COC)c1cc(Br)ccc1O ZINC000019904827 182162279 /nfs/dbraw/zinc/16/22/79/182162279.db2.gz QMQMBBCPZUBVPU-BXKDBHETSA-N 1 0 302.212 3.230 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000268914885 432146190 /nfs/dbraw/zinc/14/61/90/432146190.db2.gz NPQCMJWNMMXVBM-IFXJQAMLSA-N 1 0 314.429 3.145 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)CC2 ZINC000296199987 285397651 /nfs/dbraw/zinc/39/76/51/285397651.db2.gz YWDVIJUBWJBULJ-CVEARBPZSA-N 1 0 312.413 3.399 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000183546809 533351108 /nfs/dbraw/zinc/35/11/08/533351108.db2.gz GMTOWLBJTVGBHO-GFCCVEGCSA-N 1 0 308.422 3.346 20 10 DGCDRO COC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000272928634 130075533 /nfs/dbraw/zinc/07/55/33/130075533.db2.gz ZEVMBWJGEZPUEE-ZDUSSCGKSA-N 1 0 314.385 3.464 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1 ZINC000273297307 130104043 /nfs/dbraw/zinc/10/40/43/130104043.db2.gz AKABCRSSKRIWLK-MLGOLLRUSA-N 1 0 320.458 3.416 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000273303163 130105463 /nfs/dbraw/zinc/10/54/63/130105463.db2.gz CDEVBTOEYPWJOP-OAHLLOKOSA-N 1 0 322.412 3.191 20 10 DGCDRO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273402633 130117565 /nfs/dbraw/zinc/11/75/65/130117565.db2.gz NPJHZYGISDTXMG-CQSZACIVSA-N 1 0 312.413 3.219 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Br)cc1O ZINC000273429333 130120616 /nfs/dbraw/zinc/12/06/16/130120616.db2.gz VFVOQBJKTAEHBN-PWSUYJOCSA-N 1 0 314.223 3.374 20 10 DGCDRO C[C@@H]([NH2+]CCOc1ncccc1F)c1cc(Cl)ccc1O ZINC000273530868 130133617 /nfs/dbraw/zinc/13/36/17/130133617.db2.gz WGYXNUYESWVHLV-SNVBAGLBSA-N 1 0 310.756 3.309 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cc(Cl)ccc1O ZINC000273563827 130137066 /nfs/dbraw/zinc/13/70/66/130137066.db2.gz IVNMBXULYSTONU-NHYWBVRUSA-N 1 0 314.882 3.134 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(Br)cc1O ZINC000273567899 130138886 /nfs/dbraw/zinc/13/88/86/130138886.db2.gz JYDRPIHFZKZUGY-SNVBAGLBSA-N 1 0 309.207 3.344 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccncc1)c1ccc(Br)cc1O ZINC000273605137 130143086 /nfs/dbraw/zinc/14/30/86/130143086.db2.gz TVUWZBRRCJOLFQ-LLVKDONJSA-N 1 0 321.218 3.443 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)c(O)c1C ZINC000273619877 130145201 /nfs/dbraw/zinc/14/52/01/130145201.db2.gz YRGWXBIBOZQDDT-INIZCTEOSA-N 1 0 318.461 3.452 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c1O ZINC000273723028 130158738 /nfs/dbraw/zinc/15/87/38/130158738.db2.gz ISHUPWOPHZTTGZ-VXGBXAGGSA-N 1 0 313.825 3.349 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)[C@@]12CCCO2 ZINC000274120556 130208803 /nfs/dbraw/zinc/20/88/03/130208803.db2.gz AJZJCTXAVKGPIK-RMRDIRSESA-N 1 0 319.445 3.386 20 10 DGCDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000274613821 130248847 /nfs/dbraw/zinc/24/88/47/130248847.db2.gz OACGMNMDQFIQMD-MRXNPFEDSA-N 1 0 311.429 3.077 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCOC2)c1O ZINC000275272373 130300667 /nfs/dbraw/zinc/30/06/67/130300667.db2.gz CFYLEILCWKQULO-QWRGUYRKSA-N 1 0 314.223 3.150 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(C)(C)O)c1O ZINC000275289369 130302463 /nfs/dbraw/zinc/30/24/63/130302463.db2.gz GCKVGDFTMHMSQC-SNVBAGLBSA-N 1 0 316.239 3.275 20 10 DGCDRO CC(C)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000275873861 130403820 /nfs/dbraw/zinc/40/38/20/130403820.db2.gz ZFJMSDURMBRQFQ-UHFFFAOYSA-N 1 0 308.441 3.313 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283912853 131033296 /nfs/dbraw/zinc/03/32/96/131033296.db2.gz DIWFTEUMVLCJOD-GFCCVEGCSA-N 1 0 314.389 3.094 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283912857 131033521 /nfs/dbraw/zinc/03/35/21/131033521.db2.gz DIWFTEUMVLCJOD-LBPRGKRZSA-N 1 0 314.389 3.094 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c(O)c1 ZINC000284972335 131127695 /nfs/dbraw/zinc/12/76/95/131127695.db2.gz FVHYROQYVRECDL-JKSUJKDBSA-N 1 0 311.429 3.334 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c(O)c1 ZINC000285017845 131132128 /nfs/dbraw/zinc/13/21/28/131132128.db2.gz HJBHHYGLIVKLCR-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000285518985 131176410 /nfs/dbraw/zinc/17/64/10/131176410.db2.gz BRKVBECQOSJPRD-FDQGKXFDSA-N 1 0 317.477 3.097 20 10 DGCDRO CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000287355509 131276554 /nfs/dbraw/zinc/27/65/54/131276554.db2.gz GYURUVMMVAZGFK-KRWDZBQOSA-N 1 0 306.425 3.446 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](O)c1ccccc1 ZINC000288547151 131330337 /nfs/dbraw/zinc/33/03/37/131330337.db2.gz LFUYYPRMTYRPCV-SCLBCKFNSA-N 1 0 302.393 3.103 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H](O)c2ccccc2)c1O ZINC000289396976 131383246 /nfs/dbraw/zinc/38/32/46/131383246.db2.gz FWAXWKCCOBSJAG-OAHLLOKOSA-N 1 0 321.804 3.268 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@H](O)c2ccccc2)cc1F ZINC000289517212 131392327 /nfs/dbraw/zinc/39/23/27/131392327.db2.gz VDDUVVOUGGWXIU-SFHVURJKSA-N 1 0 302.393 3.105 20 10 DGCDRO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299603897 132113630 /nfs/dbraw/zinc/11/36/30/132113630.db2.gz KDQMBJUUOVULET-UHFFFAOYSA-N 1 0 312.461 3.268 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000140400819 400618024 /nfs/dbraw/zinc/61/80/24/400618024.db2.gz AVJSUCZVDIYBJU-NSHDSACASA-N 1 0 302.330 3.160 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(OCC3CC3)CC2)c1O ZINC000079472799 400868525 /nfs/dbraw/zinc/86/85/25/400868525.db2.gz PTSYXSGWTTZMFT-UHFFFAOYSA-N 1 0 321.392 3.125 20 10 DGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cc[nH]c3)cc2F)C[C@@H](C)O1 ZINC000086251277 401177462 /nfs/dbraw/zinc/17/74/62/401177462.db2.gz XCNGSGVAIVFWEP-ZIAGYGMSSA-N 1 0 317.408 3.057 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000278427058 286338830 /nfs/dbraw/zinc/33/88/30/286338830.db2.gz JCIJOCOGBKZMFX-HIFRSBDPSA-N 1 0 304.434 3.068 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000269086281 432152874 /nfs/dbraw/zinc/15/28/74/432152874.db2.gz PMZQNXPOMUJZMW-VHKYSDTDSA-N 1 0 310.441 3.452 20 10 DGCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000269018113 432150752 /nfs/dbraw/zinc/15/07/52/432150752.db2.gz PEMSFBVSUFXBRD-HNNXBMFYSA-N 1 0 317.477 3.070 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2CCN(C(C)=O)CC2)cc1 ZINC000151041562 432212517 /nfs/dbraw/zinc/21/25/17/432212517.db2.gz FJYHDHBCMMJGCF-OAHLLOKOSA-N 1 0 317.477 3.052 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000136691106 227050036 /nfs/dbraw/zinc/05/00/36/227050036.db2.gz IFJHXBBWCLWVJX-HNNXBMFYSA-N 1 0 305.418 3.372 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccc(C)o1 ZINC000185630400 228395562 /nfs/dbraw/zinc/39/55/62/228395562.db2.gz BDKYTQICKQTWOK-DOMZBBRYSA-N 1 0 305.374 3.341 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2COc3c2cccc3Cl)c1 ZINC000362033758 229418475 /nfs/dbraw/zinc/41/84/75/229418475.db2.gz VHHROUVGMSMSCN-CQSZACIVSA-N 1 0 305.761 3.278 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151389803 432243356 /nfs/dbraw/zinc/24/33/56/432243356.db2.gz CTQOBBZTVCKXQU-ABAIWWIYSA-N 1 0 313.850 3.190 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151423056 432245465 /nfs/dbraw/zinc/24/54/65/432245465.db2.gz QCQWZRCUAGRHDU-UKRRQHHQSA-N 1 0 313.850 3.190 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC([C@H]3CCOC3)CC2)c1O ZINC000368236711 276379777 /nfs/dbraw/zinc/37/97/77/276379777.db2.gz VRZQSTGWHLWBTI-INIZCTEOSA-N 1 0 305.418 3.039 20 10 DGCDRO CN(C)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1cccs1 ZINC000295992085 276866467 /nfs/dbraw/zinc/86/64/67/276866467.db2.gz NTQKXIJTGTXCKK-UONOGXRCSA-N 1 0 302.443 3.334 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000161509511 278335013 /nfs/dbraw/zinc/33/50/13/278335013.db2.gz IENXTPRZMQNTKJ-MRXNPFEDSA-N 1 0 301.478 3.422 20 10 DGCDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168840990 279270885 /nfs/dbraw/zinc/27/08/85/279270885.db2.gz XNEPSSSMAKZCFV-BHVCSQLQSA-N 1 0 305.443 3.353 20 10 DGCDRO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000111236473 431199597 /nfs/dbraw/zinc/19/95/97/431199597.db2.gz LQJMEKKHOCLYFE-OAHLLOKOSA-N 1 0 312.413 3.266 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000280748941 279491526 /nfs/dbraw/zinc/49/15/26/279491526.db2.gz COHXQKIXPNGEDD-AAEUAGOBSA-N 1 0 316.367 3.286 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000114216763 431377753 /nfs/dbraw/zinc/37/77/53/431377753.db2.gz WNOLCOXAUAHKLT-UHFFFAOYSA-N 1 0 319.788 3.381 20 10 DGCDRO CC(C)[C@@H](C[NH2+]Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000115629680 431466456 /nfs/dbraw/zinc/46/64/56/431466456.db2.gz NIXWSKYVPSZLNB-CQSZACIVSA-N 1 0 308.422 3.031 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000121784903 431806543 /nfs/dbraw/zinc/80/65/43/431806543.db2.gz NDWCZZZIMXZNIQ-OAHLLOKOSA-N 1 0 322.412 3.123 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000037738209 431849340 /nfs/dbraw/zinc/84/93/40/431849340.db2.gz GNGSDYJBOOZQMV-MFKMUULPSA-N 1 0 314.223 3.232 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(Br)ccc1O ZINC000038088594 431855027 /nfs/dbraw/zinc/85/50/27/431855027.db2.gz PITVOJDKQATGSC-ZWNOBZJWSA-N 1 0 315.255 3.146 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(C(N)=O)c2)cc1 ZINC000122219339 431820025 /nfs/dbraw/zinc/82/00/25/431820025.db2.gz QDQLPGOBHSUOJT-AWEZNQCLSA-N 1 0 311.429 3.092 20 10 DGCDRO COc1cccc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c1O ZINC000093341905 431914142 /nfs/dbraw/zinc/91/41/42/431914142.db2.gz QFQCKUCJVSKQQW-LJQANCHMSA-N 1 0 313.397 3.148 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563845 431916090 /nfs/dbraw/zinc/91/60/90/431916090.db2.gz GVUWRNONDFQPRC-INIZCTEOSA-N 1 0 308.853 3.496 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000090851802 431896280 /nfs/dbraw/zinc/89/62/80/431896280.db2.gz MOFJQYBCDJTIEM-GOSISDBHSA-N 1 0 312.461 3.455 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000125491039 431927594 /nfs/dbraw/zinc/92/75/94/431927594.db2.gz GSXKVPHYJCZQMM-INIZCTEOSA-N 1 0 307.457 3.055 20 10 DGCDRO Cn1ccnc1[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CC1 ZINC000183262211 432275987 /nfs/dbraw/zinc/27/59/87/432275987.db2.gz FPPQUNSBGNMIIK-GOSISDBHSA-N 1 0 310.445 3.043 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC000183454557 432294802 /nfs/dbraw/zinc/29/48/02/432294802.db2.gz MEMRDQCVXLRMMR-QWHCGFSZSA-N 1 0 319.426 3.208 20 10 DGCDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3ccccc3O)n2)c1 ZINC000279416883 281446370 /nfs/dbraw/zinc/44/63/70/281446370.db2.gz FJOFVZLTFRKAJM-OLZOCXBDSA-N 1 0 323.400 3.293 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152401400 432331093 /nfs/dbraw/zinc/33/10/93/432331093.db2.gz OIAZLITVAMVKEV-HOTGVXAUSA-N 1 0 301.478 3.278 20 10 DGCDRO CCC(CC)(C[NH2+][C@@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000183877388 432331657 /nfs/dbraw/zinc/33/16/57/432331657.db2.gz GTDQMRFMDKCVCU-LBPRGKRZSA-N 1 0 309.406 3.031 20 10 DGCDRO CC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC000152626053 432345240 /nfs/dbraw/zinc/34/52/40/432345240.db2.gz HFCYAKYVMHYFLV-AWEZNQCLSA-N 1 0 307.375 3.172 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000271455823 432398484 /nfs/dbraw/zinc/39/84/84/432398484.db2.gz FKGWJOCHQOTHMD-QAPCUYQASA-N 1 0 307.434 3.474 20 10 DGCDRO C[C@H]1C[C@H](C[NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000271461866 432400157 /nfs/dbraw/zinc/40/01/57/432400157.db2.gz JXFYGUGXIGMMHU-WDEREUQCSA-N 1 0 314.223 3.059 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)CCc2ccncc2)c1O ZINC000184745090 432428592 /nfs/dbraw/zinc/42/85/92/432428592.db2.gz AGCPXCSBMXHBOV-UHFFFAOYSA-N 1 0 306.793 3.124 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000192936344 432430247 /nfs/dbraw/zinc/43/02/47/432430247.db2.gz JHMDHLWZJXDQIO-ZDUSSCGKSA-N 1 0 300.402 3.318 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000184948817 432447098 /nfs/dbraw/zinc/44/70/98/432447098.db2.gz KQTVFQDLGZFMBV-SCLBCKFNSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC[C@H]2C[NH+]2CCCC2)c1O ZINC000184684179 432420897 /nfs/dbraw/zinc/42/08/97/432420897.db2.gz CCSZNJYNQSWCPV-HNNXBMFYSA-N 1 0 324.852 3.114 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000271762246 432423484 /nfs/dbraw/zinc/42/34/84/432423484.db2.gz FBGZHDQLBDKXAC-HOTGVXAUSA-N 1 0 301.386 3.382 20 10 DGCDRO CCC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271881342 432426223 /nfs/dbraw/zinc/42/62/23/432426223.db2.gz VCMIBZOWTZOLPB-NXHRZFHOSA-N 1 0 319.445 3.426 20 10 DGCDRO COC[C@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185149112 432471376 /nfs/dbraw/zinc/47/13/76/432471376.db2.gz XDZRIMIDHXBUQF-NXEZZACHSA-N 1 0 302.212 3.088 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000185418771 432499301 /nfs/dbraw/zinc/49/93/01/432499301.db2.gz SZHWZGJDWGEYGA-GTNSWQLSSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000185475468 432503404 /nfs/dbraw/zinc/50/34/04/432503404.db2.gz HJKDITBZTMCCCR-WHEQGISXSA-N 1 0 323.502 3.469 20 10 DGCDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185511649 432507750 /nfs/dbraw/zinc/50/77/50/432507750.db2.gz UCYNBXSPWZZTNT-BWACUDIHSA-N 1 0 309.475 3.034 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1 ZINC000185525436 432508944 /nfs/dbraw/zinc/50/89/44/432508944.db2.gz XFOMPDLSWNJUES-HOCLYGCPSA-N 1 0 315.413 3.218 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C12CCC2 ZINC000185551445 432509794 /nfs/dbraw/zinc/50/97/94/432509794.db2.gz XEDYHEJUJUTLFK-JCURWCKSSA-N 1 0 305.418 3.399 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1OC ZINC000185077235 432464241 /nfs/dbraw/zinc/46/42/41/432464241.db2.gz ZVOQEJFLOTZCAQ-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(Br)cc1O ZINC000185090252 432465502 /nfs/dbraw/zinc/46/55/02/432465502.db2.gz QSYHMVJZDHNJHY-MNOVXSKESA-N 1 0 314.223 3.232 20 10 DGCDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1=O ZINC000186048186 432554060 /nfs/dbraw/zinc/55/40/60/432554060.db2.gz NINODEFMXMBVNH-CXAGYDPISA-N 1 0 312.413 3.205 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc(F)ccc1O ZINC000186137035 432561428 /nfs/dbraw/zinc/56/14/28/432561428.db2.gz ROJDQMRYXHRTCR-PVXIVEMSSA-N 1 0 311.422 3.237 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1cc(Br)ccc1O ZINC000185608496 432514941 /nfs/dbraw/zinc/51/49/41/432514941.db2.gz TVKHUVLDERSZQN-SNVBAGLBSA-N 1 0 316.239 3.214 20 10 DGCDRO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000185657357 432519980 /nfs/dbraw/zinc/51/99/80/432519980.db2.gz UWXNLBUGRIUJOJ-BOLFOIPXSA-N 1 0 309.475 3.431 20 10 DGCDRO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185673672 432522878 /nfs/dbraw/zinc/52/28/78/432522878.db2.gz CFHCFJITWLJPTD-ZQIUZPCESA-N 1 0 319.445 3.116 20 10 DGCDRO CCNC(=O)c1ccc(C[NH2+][C@@H](CC)c2ccccc2O)cc1 ZINC000155161930 432541539 /nfs/dbraw/zinc/54/15/39/432541539.db2.gz VNSGPCXUXSCGFJ-KRWDZBQOSA-N 1 0 312.413 3.383 20 10 DGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000186190342 432567045 /nfs/dbraw/zinc/56/70/45/432567045.db2.gz WNSXCOUTFNGOIM-PIGZYNQJSA-N 1 0 307.340 3.229 20 10 DGCDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273301161 432580526 /nfs/dbraw/zinc/58/05/26/432580526.db2.gz BNHIOTSIZWRLKU-GHMZBOCLSA-N 1 0 324.222 3.091 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604900 432617633 /nfs/dbraw/zinc/61/76/33/432617633.db2.gz SZXDLRBZOVLKPJ-UONOGXRCSA-N 1 0 321.421 3.071 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCOC2CCOCC2)c(O)c1C ZINC000273467758 432601941 /nfs/dbraw/zinc/60/19/41/432601941.db2.gz JDGGUFNMCACAQO-HNNXBMFYSA-N 1 0 307.434 3.245 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1C ZINC000273467227 432601954 /nfs/dbraw/zinc/60/19/54/432601954.db2.gz FAZRCQDNZUEZJI-ARFHVFGLSA-N 1 0 318.461 3.307 20 10 DGCDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186510047 432602501 /nfs/dbraw/zinc/60/25/01/432602501.db2.gz VLFYEHOPFGMVLU-BMPPAVAUSA-N 1 0 314.223 3.132 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)COC2)c1O ZINC000187199522 432651398 /nfs/dbraw/zinc/65/13/98/432651398.db2.gz GLKGAFUXOGIQBX-SNVBAGLBSA-N 1 0 314.223 3.150 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227686797 432713784 /nfs/dbraw/zinc/71/37/84/432713784.db2.gz JZIKRHSPFKMVSO-QWHCGFSZSA-N 1 0 308.422 3.264 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1cccc(C)c1O)NC(=O)OC(C)(C)C ZINC000227714092 432714270 /nfs/dbraw/zinc/71/42/70/432714270.db2.gz VJJRMUFNYXHAAF-AWEZNQCLSA-N 1 0 308.422 3.094 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCCOCC(C)C)c1O ZINC000228670036 432718662 /nfs/dbraw/zinc/71/86/62/432718662.db2.gz JEDMHAHEPDGYOC-UHFFFAOYSA-N 1 0 301.814 3.207 20 10 DGCDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000296236011 432886833 /nfs/dbraw/zinc/88/68/33/432886833.db2.gz CGSSYTUOFFSJGO-QWRGUYRKSA-N 1 0 316.239 3.356 20 10 DGCDRO CCCN(Cc1cnc(N(C)C)s1)c1ccc(C[NH3+])cc1 ZINC000278313769 432890434 /nfs/dbraw/zinc/89/04/34/432890434.db2.gz FKHXALKBDMYQJA-UHFFFAOYSA-N 1 0 304.463 3.084 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCC1 ZINC000277374977 432843456 /nfs/dbraw/zinc/84/34/56/432843456.db2.gz XGSKFJIGPCTQIE-NSHDSACASA-N 1 0 310.825 3.003 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(Br)cc1O ZINC000296560270 432922281 /nfs/dbraw/zinc/92/22/81/432922281.db2.gz SFDGIULWMJIURP-WDEREUQCSA-N 1 0 316.239 3.356 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)CC2 ZINC000296851387 432931916 /nfs/dbraw/zinc/93/19/16/432931916.db2.gz NFZJJSOQHUWQIS-HIFRSBDPSA-N 1 0 321.779 3.495 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@H](C)O)c1O ZINC000279222871 432947568 /nfs/dbraw/zinc/94/75/68/432947568.db2.gz ZCPPEZBLFFJMQR-WDEREUQCSA-N 1 0 316.239 3.275 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000278590835 432896800 /nfs/dbraw/zinc/89/68/00/432896800.db2.gz YWYLHMXJQXFCMM-SNVBAGLBSA-N 1 0 309.303 3.268 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(Br)cc1O ZINC000296537955 432919930 /nfs/dbraw/zinc/91/99/30/432919930.db2.gz QUYOPGKLGAKVSK-WDEREUQCSA-N 1 0 316.239 3.214 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1O ZINC000289872845 432977050 /nfs/dbraw/zinc/97/70/50/432977050.db2.gz RJUZNPMMTMCEBF-CZUORRHYSA-N 1 0 324.852 3.137 20 10 DGCDRO CC[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(C)cc1O ZINC000280161117 433008694 /nfs/dbraw/zinc/00/86/94/433008694.db2.gz QQRZMHFJIUYUFT-INIZCTEOSA-N 1 0 305.418 3.427 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(OC)n1 ZINC000290232159 433017554 /nfs/dbraw/zinc/01/75/54/433017554.db2.gz RTWPTFRCVUDWAT-ZDUSSCGKSA-N 1 0 315.417 3.016 20 10 DGCDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000290375718 433039772 /nfs/dbraw/zinc/03/97/72/433039772.db2.gz HUUZFJUPHUVNAW-HNNXBMFYSA-N 1 0 316.401 3.388 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000290387327 433041701 /nfs/dbraw/zinc/04/17/01/433041701.db2.gz INHAIHAGXHRWBM-HNNXBMFYSA-N 1 0 301.390 3.078 20 10 DGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1cc(Cl)ccc1O ZINC000290399523 433046606 /nfs/dbraw/zinc/04/66/06/433046606.db2.gz SUDFHXRVUYSZDA-IXBGWNDUSA-N 1 0 319.788 3.191 20 10 DGCDRO CC(C)[N@H+](Cc1c[nH]c2nccnc12)Cc1ccc(N(C)C)cc1 ZINC000290443172 433054260 /nfs/dbraw/zinc/05/42/60/433054260.db2.gz NYVWSOZJPFNWAL-UHFFFAOYSA-N 1 0 323.444 3.435 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1O ZINC000374159689 433177098 /nfs/dbraw/zinc/17/70/98/433177098.db2.gz MFUINNOVCCRLKW-IAOVAPTHSA-N 1 0 305.418 3.084 20 10 DGCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000290841385 433184003 /nfs/dbraw/zinc/18/40/03/433184003.db2.gz IHMFFYXGLYTTHS-HUUCEWRRSA-N 1 0 315.413 3.484 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000291027640 433217759 /nfs/dbraw/zinc/21/77/59/433217759.db2.gz IGTVAKHCFKHLHO-OAHLLOKOSA-N 1 0 314.404 3.456 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccn(C)c2)c(C(F)(F)F)c1 ZINC000281028329 433256332 /nfs/dbraw/zinc/25/63/32/433256332.db2.gz YGHJJPBPCBTMAN-UHFFFAOYSA-N 1 0 311.351 3.400 20 10 DGCDRO CC[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(N(C)C)cc1 ZINC000281104321 433263928 /nfs/dbraw/zinc/26/39/28/433263928.db2.gz QYVQAEZPFCJUNM-IIBYNOLFSA-N 1 0 308.491 3.095 20 10 DGCDRO Cc1noc(C2(C)CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000374737562 433268222 /nfs/dbraw/zinc/26/82/22/433268222.db2.gz NRJYHZWOUAJLKG-UHFFFAOYSA-N 1 0 321.808 3.291 20 10 DGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000375271835 433407929 /nfs/dbraw/zinc/40/79/29/433407929.db2.gz HKFJUGYGFAVVOS-UHFFFAOYSA-N 1 0 316.424 3.303 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000292771817 433595816 /nfs/dbraw/zinc/59/58/16/433595816.db2.gz KLYGYVWNSOEMLZ-CQSZACIVSA-N 1 0 304.340 3.039 20 10 DGCDRO CC(C)([NH2+]Cc1cc(F)ccc1O)c1ccccc1[N+](=O)[O-] ZINC000292900408 433602897 /nfs/dbraw/zinc/60/28/97/433602897.db2.gz ZYUSDHNHPORSPI-UHFFFAOYSA-N 1 0 304.321 3.464 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C(N)=O)c1ccccc1 ZINC000282488608 433613702 /nfs/dbraw/zinc/61/37/02/433613702.db2.gz POFYHOSWHIAESK-SFHVURJKSA-N 1 0 312.413 3.221 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000293272386 433680352 /nfs/dbraw/zinc/68/03/52/433680352.db2.gz CLLOBTSVIWPFIG-KGLIPLIRSA-N 1 0 300.377 3.461 20 10 DGCDRO Cc1cc(CN(C)Cc2nccn2C(F)F)ccc1N(C)C ZINC000293389269 433721067 /nfs/dbraw/zinc/72/10/67/433721067.db2.gz GSWJATFHWOBMNB-UHFFFAOYSA-N 1 0 308.376 3.285 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCO1 ZINC000376803169 433818897 /nfs/dbraw/zinc/81/88/97/433818897.db2.gz DXMYGNGLZKCAGS-RTBURBONSA-N 1 0 318.461 3.211 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c(O)c1 ZINC000293771081 433862654 /nfs/dbraw/zinc/86/26/54/433862654.db2.gz PPJQLAFFSGLLFD-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000305749316 434077401 /nfs/dbraw/zinc/07/74/01/434077401.db2.gz XCFDZIABRWAVPN-IBGZPJMESA-N 1 0 315.388 3.477 20 10 DGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294847135 434149967 /nfs/dbraw/zinc/14/99/67/434149967.db2.gz ZOJIDPHQUWAQSO-OAHLLOKOSA-N 1 0 301.789 3.169 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000294984642 434157828 /nfs/dbraw/zinc/15/78/28/434157828.db2.gz XROHHVOCDKQQMG-MRXNPFEDSA-N 1 0 316.470 3.199 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c(O)c1C ZINC000363870555 434174546 /nfs/dbraw/zinc/17/45/46/434174546.db2.gz XSUZVUGLSXWQGQ-CZUORRHYSA-N 1 0 311.429 3.316 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1 ZINC000363904112 434176891 /nfs/dbraw/zinc/17/68/91/434176891.db2.gz PRFCOZZJARBUBL-SFHVURJKSA-N 1 0 324.472 3.278 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1ccc(SC)cc1 ZINC000423172595 434263182 /nfs/dbraw/zinc/26/31/82/434263182.db2.gz UHMZXRGJNNJUFX-UHFFFAOYSA-N 1 0 314.454 3.447 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1O ZINC000295309687 434302256 /nfs/dbraw/zinc/30/22/56/434302256.db2.gz VYGAXGAAPZCXRL-ZDUSSCGKSA-N 1 0 313.825 3.037 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358993283 434409202 /nfs/dbraw/zinc/40/92/02/434409202.db2.gz AVDRKSSNYHZLMS-MRXNPFEDSA-N 1 0 308.429 3.387 20 10 DGCDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000295859859 434439661 /nfs/dbraw/zinc/43/96/61/434439661.db2.gz BKIGBWSWOSTGKW-QWRGUYRKSA-N 1 0 316.239 3.214 20 10 DGCDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1cccs1 ZINC000295992082 434467742 /nfs/dbraw/zinc/46/77/42/434467742.db2.gz NTQKXIJTGTXCKK-KBPBESRZSA-N 1 0 302.443 3.334 20 10 DGCDRO COc1cccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1O ZINC000296060696 434493160 /nfs/dbraw/zinc/49/31/60/434493160.db2.gz QLCKVWHPECZTEW-MRXNPFEDSA-N 1 0 321.442 3.312 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCC12CCOCC2 ZINC000367088492 434537814 /nfs/dbraw/zinc/53/78/14/434537814.db2.gz WRRATYLXTQGUDR-SFHVURJKSA-N 1 0 300.446 3.336 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000368144511 434568534 /nfs/dbraw/zinc/56/85/34/434568534.db2.gz ZTDFJDSZFGHWOK-SFHVURJKSA-N 1 0 300.446 3.145 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1 ZINC000273585110 295167227 /nfs/dbraw/zinc/16/72/27/295167227.db2.gz NNIAIAGTRDNOHR-NXEZZACHSA-N 1 0 307.312 3.019 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000369712725 434599319 /nfs/dbraw/zinc/59/93/19/434599319.db2.gz OVOIFQZRMRMVGG-UHFFFAOYSA-N 1 0 323.849 3.261 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCOCC3(CCC3)C2)c1O ZINC000371881446 434765891 /nfs/dbraw/zinc/76/58/91/434765891.db2.gz ICLQJLRXXMQTRI-UHFFFAOYSA-N 1 0 311.809 3.057 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000371869689 434764224 /nfs/dbraw/zinc/76/42/24/434764224.db2.gz JVXDHMHAIJTRGN-XIKOKIGWSA-N 1 0 301.361 3.496 20 10 DGCDRO CC(C)OC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000372117454 434800831 /nfs/dbraw/zinc/80/08/31/434800831.db2.gz SRDPEZWNJDPUCX-MRXNPFEDSA-N 1 0 315.413 3.171 20 10 DGCDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccccc2O)OC)c1 ZINC000527920594 435017641 /nfs/dbraw/zinc/01/76/41/435017641.db2.gz NYSBLEYQLMETAZ-SCLBCKFNSA-N 1 0 301.386 3.439 20 10 DGCDRO CC[C@H](O)CN(Cc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000662253269 436314452 /nfs/dbraw/zinc/31/44/52/436314452.db2.gz HBFYDLVNUVACOG-IBGZPJMESA-N 1 0 310.441 3.110 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000272329491 334032861 /nfs/dbraw/zinc/03/28/61/334032861.db2.gz WBOSAAUJRTUZBF-LJQANCHMSA-N 1 0 315.388 3.477 20 10 DGCDRO CCCCCC(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000272338355 334033499 /nfs/dbraw/zinc/03/34/99/334033499.db2.gz YDBSNOXZDSBAKG-UHFFFAOYSA-N 1 0 322.424 3.192 20 10 DGCDRO Oc1ccccc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000529671036 340767512 /nfs/dbraw/zinc/76/75/12/340767512.db2.gz XRCALSCRXONTNY-UHFFFAOYSA-N 1 0 307.397 3.196 20 10 DGCDRO COc1ccc(C[NH2+]CCOC(F)(F)C(F)(F)F)cc1C ZINC001657929585 1196194554 /nfs/dbraw/zinc/19/45/54/1196194554.db2.gz PYUJNVQXUSCZSN-UHFFFAOYSA-N 1 0 313.266 3.265 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccccn3)CC2)cc1 ZINC000152363602 534000832 /nfs/dbraw/zinc/00/08/32/534000832.db2.gz YBIGUTYELCAYBC-OAHLLOKOSA-N 1 0 311.429 3.410 20 10 DGCDRO CCC[C@@H](CCO)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000152467099 520700292 /nfs/dbraw/zinc/70/02/92/520700292.db2.gz YFHDUFDYVMIOES-INIZCTEOSA-N 1 0 320.477 3.052 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000188289700 521142690 /nfs/dbraw/zinc/14/26/90/521142690.db2.gz SZCXFRNCOYEUQU-GOSISDBHSA-N 1 0 305.418 3.182 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@H](O)c1c(F)cccc1F ZINC000266341619 522655752 /nfs/dbraw/zinc/65/57/52/522655752.db2.gz YLKVZFIGERBHIO-YOEHRIQHSA-N 1 0 307.340 3.272 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccccc2F)cc1OC ZINC000159484448 522775369 /nfs/dbraw/zinc/77/53/69/522775369.db2.gz XTCIYIXCVYAEJL-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO COCCCOC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000129111472 523383097 /nfs/dbraw/zinc/38/30/97/523383097.db2.gz HVHLZWJCRYEYJR-UHFFFAOYSA-N 1 0 313.825 3.063 20 10 DGCDRO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(OC)ccc2O)o1 ZINC000182224088 524032026 /nfs/dbraw/zinc/03/20/26/524032026.db2.gz SXBUOBQDDLTLOR-OAHLLOKOSA-N 1 0 305.374 3.034 20 10 DGCDRO CCc1ccc([C@H](COC)[NH2+]Cc2cc(OC)ccc2O)o1 ZINC000182224106 524050798 /nfs/dbraw/zinc/05/07/98/524050798.db2.gz SXBUOBQDDLTLOR-HNNXBMFYSA-N 1 0 305.374 3.034 20 10 DGCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000180217952 524379140 /nfs/dbraw/zinc/37/91/40/524379140.db2.gz RMXIQKBXIQUVQQ-ZDUSSCGKSA-N 1 0 308.422 3.046 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C3CCOCC3)CC2)cc1 ZINC000157456318 524403493 /nfs/dbraw/zinc/40/34/93/524403493.db2.gz OYYZPQJQCFCRQH-OAHLLOKOSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCCOC(C)C)CC2)cc1 ZINC000368444658 524403534 /nfs/dbraw/zinc/40/35/34/524403534.db2.gz CDEMRGFKFVZFOF-UHFFFAOYSA-N 1 0 306.450 3.069 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1C ZINC000157777168 525322989 /nfs/dbraw/zinc/32/29/89/525322989.db2.gz IYCCIGLOFQSXAZ-GOSISDBHSA-N 1 0 303.377 3.145 20 10 DGCDRO C[C@H]([NH2+]CCCOCCO)c1ccc(N2CCCCCC2)cc1 ZINC000180238831 525341941 /nfs/dbraw/zinc/34/19/41/525341941.db2.gz COKRNYNNAOXBBY-KRWDZBQOSA-N 1 0 320.477 3.117 20 10 DGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000186190322 525400758 /nfs/dbraw/zinc/40/07/58/525400758.db2.gz WNSXCOUTFNGOIM-APPDUMDISA-N 1 0 307.340 3.229 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000130885019 525528668 /nfs/dbraw/zinc/52/86/68/525528668.db2.gz VGRSQVZFTLJCOK-CYBMUJFWSA-N 1 0 312.417 3.094 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)c1O ZINC000237231546 526031760 /nfs/dbraw/zinc/03/17/60/526031760.db2.gz KMKUPDACWWZZPL-HNNXBMFYSA-N 1 0 319.401 3.497 20 10 DGCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)CC1OCCO1 ZINC000180217724 526088866 /nfs/dbraw/zinc/08/88/66/526088866.db2.gz RPKJHQDOBZBAJH-HNNXBMFYSA-N 1 0 313.397 3.328 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000124587686 526157257 /nfs/dbraw/zinc/15/72/57/526157257.db2.gz FAZXQVLMORVKFC-NSHDSACASA-N 1 0 314.223 3.074 20 10 DGCDRO Oc1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000160197373 526359326 /nfs/dbraw/zinc/35/93/26/526359326.db2.gz ARYNENKDJRKSRG-GOSISDBHSA-N 1 0 313.397 3.279 20 10 DGCDRO Oc1ccccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000238109121 526374279 /nfs/dbraw/zinc/37/42/79/526374279.db2.gz YNMRSSLOKQVXLS-IBGZPJMESA-N 1 0 311.381 3.404 20 10 DGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000289181681 536503859 /nfs/dbraw/zinc/50/38/59/536503859.db2.gz AORHUJSYNMAYDZ-CYBMUJFWSA-N 1 0 301.386 3.130 20 10 DGCDRO Cc1ncsc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160201565 527500867 /nfs/dbraw/zinc/50/08/67/527500867.db2.gz AKAIBKJJJYGGQY-HNNXBMFYSA-N 1 0 318.442 3.338 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cn1 ZINC000185397888 528689323 /nfs/dbraw/zinc/68/93/23/528689323.db2.gz UATWEBGPJXVBSN-CYBMUJFWSA-N 1 0 316.401 3.435 20 10 DGCDRO CCOc1cccc(CNc2cccc(C[NH+](C)C)c2)c1O ZINC000121756745 535463108 /nfs/dbraw/zinc/46/31/08/535463108.db2.gz ARFUZQWFPHSQGV-UHFFFAOYSA-N 1 0 300.402 3.465 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc2c(cc1O)CCCC2 ZINC000186115400 546193370 /nfs/dbraw/zinc/19/33/70/546193370.db2.gz XLIHAZALWYOMBT-MLGOLLRUSA-N 1 0 311.429 3.202 20 10 DGCDRO CCc1ccc([C@H](CNC(=O)C2=CC(=O)CS2)[NH+](C)C)cc1 ZINC000731864061 574560316 /nfs/dbraw/zinc/56/03/16/574560316.db2.gz NBODLRRPEFISPV-HNNXBMFYSA-N 1 0 318.442 3.049 20 10 DGCDRO CC[NH+](CC)[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731866515 574561119 /nfs/dbraw/zinc/56/11/19/574561119.db2.gz OJAJQMNFXNXUQP-HNNXBMFYSA-N 1 0 318.442 3.267 20 10 DGCDRO O=C(C[NH2+]Cc1ccccc1O)Nc1cccc2ccccc21 ZINC000732230792 574568713 /nfs/dbraw/zinc/56/87/13/574568713.db2.gz AHLHYFVKUMPKFO-UHFFFAOYSA-N 1 0 306.365 3.274 20 10 DGCDRO CCc1cccc(NC(=O)C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000732230691 574568794 /nfs/dbraw/zinc/56/87/94/574568794.db2.gz NQJVVHRVXQUJAJ-UHFFFAOYSA-N 1 0 318.804 3.336 20 10 DGCDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C1=CC(=O)CS1 ZINC000732285068 574570770 /nfs/dbraw/zinc/57/07/70/574570770.db2.gz PTJNWEZFFULKHQ-UHFFFAOYSA-N 1 0 316.426 3.344 20 10 DGCDRO Cc1ncc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000732410472 574574088 /nfs/dbraw/zinc/57/40/88/574574088.db2.gz BFTUICKOXUAZIF-UHFFFAOYSA-N 1 0 305.447 3.028 20 10 DGCDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1O)OCO2 ZINC000733299842 574613721 /nfs/dbraw/zinc/61/37/21/574613721.db2.gz OXKGQNYFLYHLOP-UHFFFAOYSA-N 1 0 319.788 3.449 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CC[NH+](C3CCC3)CC2)c1 ZINC000733296689 574613799 /nfs/dbraw/zinc/61/37/99/574613799.db2.gz CMMWIRIJTYEMGY-UHFFFAOYSA-N 1 0 318.461 3.065 20 10 DGCDRO C[C@@H]1CCC[C@@](C[NH2+]Cc2ccc(N(C)C)c(F)c2)(N(C)C)C1 ZINC000733325813 574615776 /nfs/dbraw/zinc/61/57/76/574615776.db2.gz YOMMPPHEWJDVPK-DNVCBOLYSA-N 1 0 321.484 3.492 20 10 DGCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(N(C)C)cc1 ZINC000733332145 574617051 /nfs/dbraw/zinc/61/70/51/574617051.db2.gz OMIRIORQIUJAKN-QGZVFWFLSA-N 1 0 312.413 3.375 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)Cn2cccn2)cc1F ZINC000740003884 574917907 /nfs/dbraw/zinc/91/79/07/574917907.db2.gz AHPVQWBGECZDDN-OAHLLOKOSA-N 1 0 318.440 3.294 20 10 DGCDRO CCN(C)c1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000741753283 574968830 /nfs/dbraw/zinc/96/88/30/574968830.db2.gz RMYNNWLLGRRWTG-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000742372506 574993711 /nfs/dbraw/zinc/99/37/11/574993711.db2.gz OGPULMPJVGXGAE-LJQANCHMSA-N 1 0 311.429 3.159 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC(OCC3CC3)CC1)CCC2 ZINC000743407511 575049843 /nfs/dbraw/zinc/04/98/43/575049843.db2.gz RCPWOFVJATVQEW-UHFFFAOYSA-N 1 0 301.430 3.272 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)CCCC[NH+](C)C)cc1 ZINC000729512833 575254460 /nfs/dbraw/zinc/25/44/60/575254460.db2.gz SVDHZCMNPCBYGM-UHFFFAOYSA-N 1 0 319.493 3.223 20 10 DGCDRO Cc1ccc(N2CCC[C@@H]([N@H+](C)Cc3ccccc3O)C2=O)cc1 ZINC000744403362 575340279 /nfs/dbraw/zinc/34/02/79/575340279.db2.gz YNOXZRCUWNMMIF-GOSISDBHSA-N 1 0 324.424 3.328 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](COC)c2ccc(C)o2)c(O)c1 ZINC000747100321 575496436 /nfs/dbraw/zinc/49/64/36/575496436.db2.gz WRIIIAKNDUWHPK-OAHLLOKOSA-N 1 0 305.374 3.170 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCOC3)C1)CCC2 ZINC000747830246 575545035 /nfs/dbraw/zinc/54/50/35/575545035.db2.gz LQOYOAPASUBCRM-IAGOWNOFSA-N 1 0 301.430 3.129 20 10 DGCDRO CC1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000748098533 575561091 /nfs/dbraw/zinc/56/10/91/575561091.db2.gz GQUHXCAVYSZMDT-UHFFFAOYSA-N 1 0 303.406 3.475 20 10 DGCDRO CC[C@H](C)C[N@H+](CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749116377 575628182 /nfs/dbraw/zinc/62/81/82/575628182.db2.gz OMNRLJRXYJPVPI-INIZCTEOSA-N 1 0 319.493 3.079 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000749129643 575628925 /nfs/dbraw/zinc/62/89/25/575628925.db2.gz RZAMYQNJXUJBMZ-BLLLJJGKSA-N 1 0 308.853 3.398 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc([S@@](C)=O)cc2)cc1C ZINC000751151896 575771863 /nfs/dbraw/zinc/77/18/63/575771863.db2.gz HULMTVKGVPQETB-OAQYLSRUSA-N 1 0 303.427 3.036 20 10 DGCDRO Cc1cc(C(=O)NCC[NH+](C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000751522518 575788476 /nfs/dbraw/zinc/78/84/76/575788476.db2.gz KXQVQMMUNYWTPJ-UHFFFAOYSA-N 1 0 313.445 3.002 20 10 DGCDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000725846642 575928681 /nfs/dbraw/zinc/92/86/81/575928681.db2.gz JYQFXKKEDPUDRS-MFKMUULPSA-N 1 0 301.342 3.127 20 10 DGCDRO CO[C@H](C)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000726606632 576032624 /nfs/dbraw/zinc/03/26/24/576032624.db2.gz DLAHMUKOMOWPRT-CQSZACIVSA-N 1 0 321.421 3.100 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccc4[nH]cnc4c3)ccc21 ZINC000727469802 576128167 /nfs/dbraw/zinc/12/81/67/576128167.db2.gz HQPVZMLHBFMAKY-UHFFFAOYSA-N 1 0 306.413 3.235 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000852758308 620646234 /nfs/dbraw/zinc/64/62/34/620646234.db2.gz DCIWDJMGCMGBCQ-KDURUIRLSA-N 1 0 300.446 3.145 20 10 DGCDRO CCC[C@@H]1CCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792695 620649088 /nfs/dbraw/zinc/64/90/88/620649088.db2.gz ZSTXDVYGZKCBHK-ZTFGCOKTSA-N 1 0 317.477 3.085 20 10 DGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000852883568 620653966 /nfs/dbraw/zinc/65/39/66/620653966.db2.gz ZPKIFIXDNUUTCP-ZTFGCOKTSA-N 1 0 324.424 3.219 20 10 DGCDRO CN(C)c1ccc(CN(CC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000917073934 620654931 /nfs/dbraw/zinc/65/49/31/620654931.db2.gz IMTRCDCYVWISBU-UHFFFAOYSA-N 1 0 304.434 3.059 20 10 DGCDRO CC[C@H]([NH2+]CCOCCF)c1ccc(C(F)(F)F)cc1O ZINC000853238603 620680996 /nfs/dbraw/zinc/68/09/96/620680996.db2.gz MQHLMYKFVFZJPD-LBPRGKRZSA-N 1 0 309.303 3.438 20 10 DGCDRO CCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CC1 ZINC000154690488 620703649 /nfs/dbraw/zinc/70/36/49/620703649.db2.gz HHBMQGBMLZFXBW-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(O)cc1C ZINC000853572426 620710784 /nfs/dbraw/zinc/71/07/84/620710784.db2.gz SDCHRPUMBKFPTG-YJBOKZPZSA-N 1 0 319.445 3.490 20 10 DGCDRO CCc1cc(C[N@@H+]2CCC3(COC3)C2)c(O)c(C(C)(C)C)c1 ZINC000853595723 620713558 /nfs/dbraw/zinc/71/35/58/620713558.db2.gz VWOYPQHPPDFFBL-UHFFFAOYSA-N 1 0 303.446 3.474 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@](C)(C(F)F)O1 ZINC000853631367 620717803 /nfs/dbraw/zinc/71/78/03/620717803.db2.gz VPOZQLRBGIWJED-APPDUMDISA-N 1 0 311.372 3.125 20 10 DGCDRO COc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000891467352 617808293 /nfs/dbraw/zinc/80/82/93/617808293.db2.gz GYWGEXYKZMTBLN-HNNXBMFYSA-N 1 0 317.385 3.175 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891713349 617877631 /nfs/dbraw/zinc/87/76/31/617877631.db2.gz AHPZRWKZHSIVDY-OTVXOJSOSA-N 1 0 320.433 3.127 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCCc2cnn(C)c2)C2CC2)cc1 ZINC000919770442 620765125 /nfs/dbraw/zinc/76/51/25/620765125.db2.gz DZFLGSMBVSNUMO-UHFFFAOYSA-N 1 0 312.461 3.083 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3ccccc3C2)c(O)c1OC ZINC000892441358 618067229 /nfs/dbraw/zinc/06/72/29/618067229.db2.gz MWAJDTVIUAZSDI-INIZCTEOSA-N 1 0 313.397 3.057 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1C ZINC000892476536 618075703 /nfs/dbraw/zinc/07/57/03/618075703.db2.gz VSAQRIYDBNVDMP-UHFFFAOYSA-N 1 0 312.413 3.137 20 10 DGCDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840891947 618147833 /nfs/dbraw/zinc/14/78/33/618147833.db2.gz GQUXUQQHQBNSRE-GFCCVEGCSA-N 1 0 307.825 3.285 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000155184011 620783493 /nfs/dbraw/zinc/78/34/93/620783493.db2.gz VPUUHAQBDJLPTC-UHFFFAOYSA-N 1 0 314.429 3.402 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1)c1ccccc1O ZINC000854222312 620785508 /nfs/dbraw/zinc/78/55/08/620785508.db2.gz FBYSKQVRFVXICI-MORSLUCNSA-N 1 0 314.404 3.328 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1)c1ccccc1O ZINC000854222310 620785520 /nfs/dbraw/zinc/78/55/20/620785520.db2.gz FBYSKQVRFVXICI-FSPWUOQZSA-N 1 0 314.404 3.328 20 10 DGCDRO C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000854222664 620785828 /nfs/dbraw/zinc/78/58/28/620785828.db2.gz JRMGZJQRBDPZRN-JTQLQIEISA-N 1 0 302.340 3.333 20 10 DGCDRO C[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(N2CCCCC2)c(F)c1 ZINC000854228495 620786707 /nfs/dbraw/zinc/78/67/07/620786707.db2.gz XIBQRINYXTYEBN-TZGCNFNXSA-N 1 0 317.452 3.219 20 10 DGCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNCc2ccc3c(c2)CCO3)C1 ZINC000920181088 620789161 /nfs/dbraw/zinc/78/91/61/620789161.db2.gz XKQMONVKMYVDLZ-IYBDPMFKSA-N 1 0 316.489 3.468 20 10 DGCDRO Cc1cc([C@H](C)[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)nn1C ZINC000840894179 618325482 /nfs/dbraw/zinc/32/54/82/618325482.db2.gz PMRBZZJMHGIMHV-ZBFHGGJFSA-N 1 0 314.477 3.385 20 10 DGCDRO CCCN(Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C[NH3+])cc1 ZINC000894569714 618389402 /nfs/dbraw/zinc/38/94/02/618389402.db2.gz JDJQBMBXBXXPDA-UHFFFAOYSA-N 1 0 310.401 3.144 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccncc1 ZINC000893031961 618397397 /nfs/dbraw/zinc/39/73/97/618397397.db2.gz GHTSDEMMESWCAV-CQSZACIVSA-N 1 0 302.374 3.045 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000925077813 618421510 /nfs/dbraw/zinc/42/15/10/618421510.db2.gz CJYDBIAVDUHRNP-PKOBYXMFSA-N 1 0 302.462 3.356 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(C(=O)N(C)C)CCCC2)c(Cl)c1 ZINC000840898401 618450093 /nfs/dbraw/zinc/45/00/93/618450093.db2.gz IFRCRWDBTBBYTN-UHFFFAOYSA-N 1 0 324.852 3.092 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000894783190 618457152 /nfs/dbraw/zinc/45/71/52/618457152.db2.gz QLUZFGINYBUTBT-OAHLLOKOSA-N 1 0 315.417 3.386 20 10 DGCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893172119 618458120 /nfs/dbraw/zinc/45/81/20/618458120.db2.gz MCIOFWQFCOACOD-LSDHHAIUSA-N 1 0 323.433 3.093 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1c(C)noc1C ZINC000893239200 618484297 /nfs/dbraw/zinc/48/42/97/618484297.db2.gz QWCAOEKPYHDGDU-CYBMUJFWSA-N 1 0 320.389 3.255 20 10 DGCDRO CCCC[N@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792765887 618487638 /nfs/dbraw/zinc/48/76/38/618487638.db2.gz JMQMEMIEEAFMPD-UHFFFAOYSA-N 1 0 318.383 3.366 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCCc2ncccc2C)c1O ZINC000894898296 618492716 /nfs/dbraw/zinc/49/27/16/618492716.db2.gz JBHYXHPSLBPKFM-UHFFFAOYSA-N 1 0 300.402 3.135 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2cccs2)c(Cl)c1 ZINC000840901055 618495977 /nfs/dbraw/zinc/49/59/77/618495977.db2.gz XOBBURLUSNMTGD-HNNXBMFYSA-N 1 0 311.834 3.413 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1O ZINC000894990736 618507063 /nfs/dbraw/zinc/50/70/63/618507063.db2.gz JFXZVAULAFLVLF-APWZRJJASA-N 1 0 313.397 3.111 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)n1 ZINC000925104389 618521787 /nfs/dbraw/zinc/52/17/87/618521787.db2.gz YLNDYRIKHCBPMX-KBPBESRZSA-N 1 0 312.504 3.420 20 10 DGCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840909307 618522649 /nfs/dbraw/zinc/52/26/49/618522649.db2.gz QACOILFXEDEGKQ-KRWDZBQOSA-N 1 0 305.805 3.486 20 10 DGCDRO C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000925736774 618589915 /nfs/dbraw/zinc/58/99/15/618589915.db2.gz BZOUPTDBTDPWSF-QMMMGPOBSA-N 1 0 319.218 3.072 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(C)c2)c(O)c1OC ZINC000895358273 618602249 /nfs/dbraw/zinc/60/22/49/618602249.db2.gz PGYSKQZNTULQEX-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO CCc1onc(C)c1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000893572721 618609645 /nfs/dbraw/zinc/60/96/45/618609645.db2.gz SSHPQFIAFSCBNR-UHFFFAOYSA-N 1 0 317.433 3.122 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1 ZINC000840935292 618609921 /nfs/dbraw/zinc/60/99/21/618609921.db2.gz KSKLCJGXTSSDSJ-IFXJQAMLSA-N 1 0 316.420 3.412 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@H](O)c1cccc(F)c1 ZINC000840935293 618609952 /nfs/dbraw/zinc/60/99/52/618609952.db2.gz KSKLCJGXTSSDSJ-KUHUBIRLSA-N 1 0 316.420 3.412 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000840937487 618610555 /nfs/dbraw/zinc/61/05/55/618610555.db2.gz VAKJYIAFYXZKFC-WMZOPIPTSA-N 1 0 320.502 3.205 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1OC ZINC000893622760 618619158 /nfs/dbraw/zinc/61/91/58/618619158.db2.gz HGJGURMTMRYLHM-HUUCEWRRSA-N 1 0 323.433 3.091 20 10 DGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000112380066 620821206 /nfs/dbraw/zinc/82/12/06/620821206.db2.gz CFBOIUJLEWFPPD-QMTHXVAHSA-N 1 0 316.239 3.041 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cc1F ZINC000840977883 618653824 /nfs/dbraw/zinc/65/38/24/618653824.db2.gz KWIFZQZREAYEGY-GOEBONIOSA-N 1 0 308.441 3.265 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)cc1F ZINC000840977882 618653945 /nfs/dbraw/zinc/65/39/45/618653945.db2.gz KWIFZQZREAYEGY-GDBMZVCRSA-N 1 0 308.441 3.265 20 10 DGCDRO CCCN(Cc1ccnc(OC)c1F)c1ccc(C[NH3+])cc1 ZINC000894045213 618698657 /nfs/dbraw/zinc/69/86/57/618698657.db2.gz DQWMLEFFAWLXHA-UHFFFAOYSA-N 1 0 303.381 3.105 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCCOc2ccccc2)c1O ZINC000894156933 618721413 /nfs/dbraw/zinc/72/14/13/618721413.db2.gz SDYGQJQGRVFHIC-UHFFFAOYSA-N 1 0 301.386 3.268 20 10 DGCDRO COCCC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CCCC1 ZINC000894330751 618765332 /nfs/dbraw/zinc/76/53/32/618765332.db2.gz SJSSIAVNGZCKGJ-UHFFFAOYSA-N 1 0 307.434 3.396 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccc(C)o1 ZINC000894330273 618765607 /nfs/dbraw/zinc/76/56/07/618765607.db2.gz WMVLVFSBUKVDRH-CQSZACIVSA-N 1 0 305.374 3.088 20 10 DGCDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894343452 618768264 /nfs/dbraw/zinc/76/82/64/618768264.db2.gz XXWDEPYSVFMMCW-INIZCTEOSA-N 1 0 313.397 3.495 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000895447983 618785773 /nfs/dbraw/zinc/78/57/73/618785773.db2.gz ULAHRCQGDAIWOX-HNNXBMFYSA-N 1 0 321.804 3.186 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c1O ZINC000895449323 618786362 /nfs/dbraw/zinc/78/63/62/618786362.db2.gz GRBVASGZKWPKNU-DOTOQJQBSA-N 1 0 305.418 3.147 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@H]2CCCC2(F)F)cc1OC ZINC000895544447 618797081 /nfs/dbraw/zinc/79/70/81/618797081.db2.gz JCQLGNGWXZCQCW-GFCCVEGCSA-N 1 0 315.360 3.325 20 10 DGCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CF)C2)ccc1N1CCCCC1 ZINC000895575323 618800692 /nfs/dbraw/zinc/80/06/92/618800692.db2.gz RNVKDTUWTSQJMI-OAHLLOKOSA-N 1 0 321.396 3.377 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]CC[C@H]2CCCO2)c1O ZINC000895807338 618834235 /nfs/dbraw/zinc/83/42/35/618834235.db2.gz QVHJKGQQYOAVAW-CYBMUJFWSA-N 1 0 314.223 3.122 20 10 DGCDRO COC1(OC)CC2(C[N@H+](Cc3c(C)cccc3O)[C@@H]2C(C)C)C1 ZINC000895987408 618857896 /nfs/dbraw/zinc/85/78/96/618857896.db2.gz DZJXOKWCRZFNSD-QGZVFWFLSA-N 1 0 319.445 3.310 20 10 DGCDRO Cc1nc([C@@H]2CC[N@H+](Cc3ccc4ccccc4c3O)C2)no1 ZINC000896232248 618889760 /nfs/dbraw/zinc/88/97/60/618889760.db2.gz JMQCZMBJTWAJOW-OAHLLOKOSA-N 1 0 309.369 3.226 20 10 DGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1ccc(C)cc1O ZINC000896269595 618895264 /nfs/dbraw/zinc/89/52/64/618895264.db2.gz ZEKZNTLTSORGPT-UHFFFAOYSA-N 1 0 313.323 3.014 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1F ZINC000896492029 618918277 /nfs/dbraw/zinc/91/82/77/618918277.db2.gz JRFUIAKTPGDXSP-OAHLLOKOSA-N 1 0 316.424 3.005 20 10 DGCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3c(C)cccc3O)C2)n1 ZINC000897042935 619007591 /nfs/dbraw/zinc/00/75/91/619007591.db2.gz IKCOCKIUEJNVPX-STQMWFEESA-N 1 0 301.390 3.072 20 10 DGCDRO Cc1nc(C)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000788020435 619031784 /nfs/dbraw/zinc/03/17/84/619031784.db2.gz QNNNJBAOLTVXOS-INIZCTEOSA-N 1 0 316.401 3.178 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000897234841 619033888 /nfs/dbraw/zinc/03/38/88/619033888.db2.gz RCBLBIWQRLFYEZ-SFHVURJKSA-N 1 0 301.361 3.325 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc2c1OCC2 ZINC000788983657 625313815 /nfs/dbraw/zinc/31/38/15/625313815.db2.gz CVRDYFDQLDRTOX-RCCFBDPRSA-N 1 0 301.430 3.306 20 10 DGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000897437532 619127024 /nfs/dbraw/zinc/12/70/24/619127024.db2.gz LAUKMIGQWOJDRJ-UHFFFAOYSA-N 1 0 302.462 3.174 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469566 619131661 /nfs/dbraw/zinc/13/16/61/619131661.db2.gz MPIZOGUXXVNLBI-GFCCVEGCSA-N 1 0 316.357 3.202 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H]2CCC(C)(C)CO2)c(O)c1OC ZINC000897473955 619132757 /nfs/dbraw/zinc/13/27/57/619132757.db2.gz ITRSWCCLLFSWPT-CQSZACIVSA-N 1 0 323.433 3.094 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1O ZINC000841747450 619136547 /nfs/dbraw/zinc/13/65/47/619136547.db2.gz RATUTTALHGDXLG-GXSJLCMTSA-N 1 0 322.758 3.333 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1F ZINC000897534513 619150726 /nfs/dbraw/zinc/15/07/26/619150726.db2.gz VQSKPSZRAACSEJ-SJCJKPOMSA-N 1 0 312.404 3.062 20 10 DGCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3cc(C)c(C)cc3O)C2)n1 ZINC000897579140 619162267 /nfs/dbraw/zinc/16/22/67/619162267.db2.gz PETJEAWBQZXQIR-OAHLLOKOSA-N 1 0 315.417 3.155 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(Br)ccc1O ZINC000841760133 619165330 /nfs/dbraw/zinc/16/53/30/619165330.db2.gz TVIGKJJOPTWVKJ-VHRBIJSZSA-N 1 0 314.223 3.109 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H](N)c2ccccc2)ccc1OC ZINC000841035571 619173044 /nfs/dbraw/zinc/17/30/44/619173044.db2.gz IFRNCYPVVSBNGM-SFHVURJKSA-N 1 0 314.429 3.021 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCOC23CCCCC3)c1O ZINC000897727267 619175639 /nfs/dbraw/zinc/17/56/39/619175639.db2.gz JSOJKRWRWPBALS-INIZCTEOSA-N 1 0 305.418 3.291 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2CCSC(C)(C)C2)cc1OC ZINC000897798658 619183509 /nfs/dbraw/zinc/18/35/09/619183509.db2.gz YUXNTIGNOVYKHT-LBPRGKRZSA-N 1 0 311.447 3.173 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CCO)C2CCCC2)c1O ZINC000897885441 619191575 /nfs/dbraw/zinc/19/15/75/619191575.db2.gz KIBAVXSDWWJUTN-AWEZNQCLSA-N 1 0 313.825 3.085 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)Cc2cccnc2)ccc1OC ZINC000897970669 619196173 /nfs/dbraw/zinc/19/61/73/619196173.db2.gz UDWNTKHDIGRTTP-OAHLLOKOSA-N 1 0 314.429 3.348 20 10 DGCDRO CN(C)c1cc(F)c(CN2CCC([NH2+]C3CCC3)CC2)cc1F ZINC000897982964 619202906 /nfs/dbraw/zinc/20/29/06/619202906.db2.gz SRSBECDQCDJMSU-UHFFFAOYSA-N 1 0 323.431 3.137 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c(O)c1 ZINC000898071488 619212713 /nfs/dbraw/zinc/21/27/13/619212713.db2.gz LXUHOVRLAJXBBR-CYBMUJFWSA-N 1 0 318.442 3.312 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCOC23CCCC3)c1O ZINC000898112456 619215190 /nfs/dbraw/zinc/21/51/90/619215190.db2.gz RQGAZAQMPNQMKK-AWEZNQCLSA-N 1 0 311.809 3.246 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)cc1C ZINC000898112692 619215215 /nfs/dbraw/zinc/21/52/15/619215215.db2.gz PJXRYFCDQBLJNK-GOSISDBHSA-N 1 0 319.445 3.212 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000898179994 619223769 /nfs/dbraw/zinc/22/37/69/619223769.db2.gz QYXQIDRGGABGFT-ZDUSSCGKSA-N 1 0 315.417 3.248 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCc2cccnc2C)c1O ZINC000898253908 619228626 /nfs/dbraw/zinc/22/86/26/619228626.db2.gz YFHSEDSQYIIXKL-UHFFFAOYSA-N 1 0 306.793 3.090 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccccc2Cl)cc1 ZINC000841044156 619246053 /nfs/dbraw/zinc/24/60/53/619246053.db2.gz UFBDXHVOMOCQFD-KRWDZBQOSA-N 1 0 303.837 3.196 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc(Cl)ccc2F)cc1 ZINC000841044934 619246954 /nfs/dbraw/zinc/24/69/54/619246954.db2.gz GFNCVMJDOUMQSM-QGZVFWFLSA-N 1 0 321.827 3.335 20 10 DGCDRO COC(=O)C1(CCCC[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000898412681 619271970 /nfs/dbraw/zinc/27/19/70/619271970.db2.gz WRDKJDFLKFOZDU-UHFFFAOYSA-N 1 0 309.381 3.135 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCSCC2)N(C)C)cc1 ZINC000898448168 619275802 /nfs/dbraw/zinc/27/58/02/619275802.db2.gz QFIOAWGJDOUHMF-SJLPKXTDSA-N 1 0 321.534 3.231 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000898516443 619283471 /nfs/dbraw/zinc/28/34/71/619283471.db2.gz SBCXOLVXPKBTKP-DOTOQJQBSA-N 1 0 319.445 3.430 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901053844 619469687 /nfs/dbraw/zinc/46/96/87/619469687.db2.gz SOZJXUBMOCUUMN-IRXDYDNUSA-N 1 0 316.445 3.148 20 10 DGCDRO CCn1cnc(CNCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000902224322 619604453 /nfs/dbraw/zinc/60/44/53/619604453.db2.gz OYGHLHLIHHIWAJ-UHFFFAOYSA-N 1 0 312.461 3.429 20 10 DGCDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(N2CCCCC2)c(F)c1 ZINC000902472688 619638068 /nfs/dbraw/zinc/63/80/68/619638068.db2.gz FKSLCKALNMMHJX-UNQWWWNPSA-N 1 0 317.452 3.360 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902742286 619668803 /nfs/dbraw/zinc/66/88/03/619668803.db2.gz NBYNQBMTYCAVLA-CENDIDJXSA-N 1 0 312.457 3.190 20 10 DGCDRO CC[C@@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccccc1O ZINC000903222681 619741702 /nfs/dbraw/zinc/74/17/02/619741702.db2.gz IGCBYQYXUGKPMF-CQSZACIVSA-N 1 0 305.447 3.151 20 10 DGCDRO C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000903238936 619742276 /nfs/dbraw/zinc/74/22/76/619742276.db2.gz BSPGPFCMNIKTHI-LBPRGKRZSA-N 1 0 306.406 3.100 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)CCc2ccccc2)c1 ZINC000903293143 619752077 /nfs/dbraw/zinc/75/20/77/619752077.db2.gz PRMHZOZGQKKFBB-GOEBONIOSA-N 1 0 315.413 3.045 20 10 DGCDRO CC[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1ccccc1O ZINC000903308614 619757191 /nfs/dbraw/zinc/75/71/91/619757191.db2.gz JUHOJOPPLFIOBH-FUHWJXTLSA-N 1 0 303.377 3.480 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cn(C)nc1OC)c1cc(Cl)ccc1O ZINC000903336702 619759689 /nfs/dbraw/zinc/75/96/89/619759689.db2.gz BWFHEEIHYZXLMQ-CYBMUJFWSA-N 1 0 309.797 3.029 20 10 DGCDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903331829 619762646 /nfs/dbraw/zinc/76/26/46/619762646.db2.gz NZQVYTYMWLVZJM-ZIAGYGMSSA-N 1 0 324.440 3.126 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cn(C)cn2)c1O ZINC000903352017 619763551 /nfs/dbraw/zinc/76/35/51/619763551.db2.gz PXVVHVIFFPXGJQ-JTQLQIEISA-N 1 0 324.222 3.047 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(OC(C)C)CCOC2)c(O)c1 ZINC000903357016 619764438 /nfs/dbraw/zinc/76/44/38/619764438.db2.gz IYYYGAHXJYHJKO-QAPCUYQASA-N 1 0 307.434 3.244 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000903378745 619768285 /nfs/dbraw/zinc/76/82/85/619768285.db2.gz YJPYUWWVWUCLMC-MGPQQGTHSA-N 1 0 320.433 3.346 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(Cl)cc1O ZINC000903390164 619770908 /nfs/dbraw/zinc/77/09/08/619770908.db2.gz PYVJDBRCXQDBPO-ABAIWWIYSA-N 1 0 311.809 3.034 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC23CCOCC3)c2c1c(F)ccc2O ZINC000903389895 619770995 /nfs/dbraw/zinc/77/09/95/619770995.db2.gz PBFNDRJYBGBFJW-KYOSRNDESA-N 1 0 321.392 3.007 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903423530 619776439 /nfs/dbraw/zinc/77/64/39/619776439.db2.gz WAKQIVJRRIGZSI-HIFRSBDPSA-N 1 0 314.351 3.008 20 10 DGCDRO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1nccs1 ZINC000903447736 619778253 /nfs/dbraw/zinc/77/82/53/619778253.db2.gz BUDQXFCOXAWCEH-CZUORRHYSA-N 1 0 318.490 3.163 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000903451037 619778939 /nfs/dbraw/zinc/77/89/39/619778939.db2.gz QNEYSFSKHJQLDX-NMKXLXIOSA-N 1 0 321.392 3.401 20 10 DGCDRO C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000903973916 619847649 /nfs/dbraw/zinc/84/76/49/619847649.db2.gz IZCKZVHYHRYENU-NXEZZACHSA-N 1 0 303.233 3.034 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2COC(C)(C)C)cc1OC ZINC000905730830 620023771 /nfs/dbraw/zinc/02/37/71/620023771.db2.gz PPXWTWCUSINFFP-AWEZNQCLSA-N 1 0 323.433 3.189 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCC=CCCC2)cc1 ZINC000911665525 620339679 /nfs/dbraw/zinc/33/96/79/620339679.db2.gz DCSXDBRIGHBWAB-WMZOPIPTSA-N 1 0 315.461 3.005 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@]4(CCOC4)C3)c2c1 ZINC000151254761 620433377 /nfs/dbraw/zinc/43/33/77/620433377.db2.gz ZJHDPKXXHAXSIT-LJQANCHMSA-N 1 0 313.397 3.166 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@]4(CCOC4)C3)c2c1 ZINC000151254688 620433606 /nfs/dbraw/zinc/43/36/06/620433606.db2.gz ZJHDPKXXHAXSIT-IBGZPJMESA-N 1 0 313.397 3.166 20 10 DGCDRO C[C@@H](NCCC[NH+](C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151911500 620480552 /nfs/dbraw/zinc/48/05/52/620480552.db2.gz LAHKDTXWTDTJPZ-OAHLLOKOSA-N 1 0 307.457 3.418 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000153367213 620554955 /nfs/dbraw/zinc/55/49/55/620554955.db2.gz XSCLJJLBJDOIEQ-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO COCC(C)(C)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000755195637 620872739 /nfs/dbraw/zinc/87/27/39/620872739.db2.gz PHXBLKLQXQUGPY-UHFFFAOYSA-N 1 0 308.491 3.002 20 10 DGCDRO CN(C)C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921506168 620877314 /nfs/dbraw/zinc/87/73/14/620877314.db2.gz NSFIHLJZNWMFJS-IBGZPJMESA-N 1 0 310.441 3.404 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](c2ccnn2C)C(C)C)cc1C ZINC000788074016 620893083 /nfs/dbraw/zinc/89/30/83/620893083.db2.gz BIINATGQVJYPPZ-INIZCTEOSA-N 1 0 301.434 3.272 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c(O)c1 ZINC000788074866 620893450 /nfs/dbraw/zinc/89/34/50/620893450.db2.gz FLUOGBFKLGFHQW-MRXNPFEDSA-N 1 0 317.433 3.054 20 10 DGCDRO CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817979325 620898018 /nfs/dbraw/zinc/89/80/18/620898018.db2.gz JMRUBEBPHQOYOJ-IONNQARKSA-N 1 0 321.646 3.196 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCc1cn2ccccc2n1 ZINC000113319378 620900314 /nfs/dbraw/zinc/90/03/14/620900314.db2.gz XIMBXXCOUPIVEZ-UHFFFAOYSA-N 1 0 301.777 3.026 20 10 DGCDRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000113321762 620904383 /nfs/dbraw/zinc/90/43/83/620904383.db2.gz RFVSTILCTHMESL-UHFFFAOYSA-N 1 0 315.392 3.140 20 10 DGCDRO CC(C)Oc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921538359 620904404 /nfs/dbraw/zinc/90/44/04/620904404.db2.gz BHVYLDYVKOJXOV-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO O=C(CC1CCCCC1)NCC[NH2+]Cc1c(O)cccc1Cl ZINC000113354907 620905383 /nfs/dbraw/zinc/90/53/83/620905383.db2.gz XGIZYFOOALFTHX-UHFFFAOYSA-N 1 0 324.852 3.222 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccco2)C1 ZINC000113359213 620905531 /nfs/dbraw/zinc/90/55/31/620905531.db2.gz VYBUTCZISHTOBI-HNNXBMFYSA-N 1 0 320.820 3.393 20 10 DGCDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921613779 620913787 /nfs/dbraw/zinc/91/37/87/620913787.db2.gz QTAAMKAGUJCODP-MRXNPFEDSA-N 1 0 310.397 3.279 20 10 DGCDRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921823030 620956411 /nfs/dbraw/zinc/95/64/11/620956411.db2.gz NTMKBQOFFBMIMG-JOCHJYFZSA-N 1 0 315.438 3.039 20 10 DGCDRO FC(F)Oc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)ccn1 ZINC000922115526 620990302 /nfs/dbraw/zinc/99/03/02/620990302.db2.gz KNACRRCHLKZQFS-UHFFFAOYSA-N 1 0 320.339 3.298 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(CC3CCC3)c2)c1 ZINC000922217717 621007448 /nfs/dbraw/zinc/00/74/48/621007448.db2.gz WHGQHIZLDPSUOX-CYBMUJFWSA-N 1 0 315.417 3.248 20 10 DGCDRO COc1ccc(N2CC[NH+](CCCCOC(C)(C)C)CC2)cc1 ZINC000789307361 625453931 /nfs/dbraw/zinc/45/39/31/625453931.db2.gz XRRHXHTVIAODMF-UHFFFAOYSA-N 1 0 320.477 3.413 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000857060662 621053200 /nfs/dbraw/zinc/05/32/00/621053200.db2.gz CZMVEYTVGOSXPS-ZFWWWQNUSA-N 1 0 321.461 3.149 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)cc1C ZINC000922567793 621057314 /nfs/dbraw/zinc/05/73/14/621057314.db2.gz VRLFPADMFDMMGR-GOSISDBHSA-N 1 0 303.377 3.140 20 10 DGCDRO CC[N@H+](CCC[C@H](C)O)Cc1cc(Br)ccc1O ZINC000789328591 625460997 /nfs/dbraw/zinc/46/09/97/625460997.db2.gz YAMRSLGYBWGAOD-NSHDSACASA-N 1 0 316.239 3.138 20 10 DGCDRO CN(C)[C@H](CC[NH2+]Cc1cc(Cl)ccc1O)C(F)(F)F ZINC000922751926 621093581 /nfs/dbraw/zinc/09/35/81/621093581.db2.gz KJWRFJUGFZRKJP-GFCCVEGCSA-N 1 0 310.747 3.018 20 10 DGCDRO CN(C)[C@H](CC[NH2+]Cc1c(O)cccc1Cl)C(F)(F)F ZINC000922752149 621094052 /nfs/dbraw/zinc/09/40/52/621094052.db2.gz MYJXRIQHRLBGDF-GFCCVEGCSA-N 1 0 310.747 3.018 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCS1 ZINC000922837314 621106343 /nfs/dbraw/zinc/10/63/43/621106343.db2.gz SIFADIFUJCMQPG-HIFRSBDPSA-N 1 0 324.465 3.036 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC000922839328 621107746 /nfs/dbraw/zinc/10/77/46/621107746.db2.gz SHJHOWQNYXDHKU-ZYHUDNBSSA-N 1 0 300.418 3.405 20 10 DGCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3O)C2)n1 ZINC000922865933 621109793 /nfs/dbraw/zinc/10/97/93/621109793.db2.gz LTQXRSZYLVUCKY-GXFFZTMASA-N 1 0 321.808 3.417 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]CCc2cncn2C)cc1 ZINC000857784403 621118747 /nfs/dbraw/zinc/11/87/47/621118747.db2.gz ZWIVHYOYGOSAIL-UHFFFAOYSA-N 1 0 314.477 3.379 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c(O)c1 ZINC000922896297 621127314 /nfs/dbraw/zinc/12/73/14/621127314.db2.gz IKXBSZWHKWRAPY-CRAIPNDOSA-N 1 0 305.418 3.086 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1F ZINC000922896822 621128037 /nfs/dbraw/zinc/12/80/37/621128037.db2.gz PJAKIIGJTPBXGE-SCLBCKFNSA-N 1 0 324.415 3.326 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)CCCO2 ZINC000922901291 621129318 /nfs/dbraw/zinc/12/93/18/621129318.db2.gz OREUFKNAEMPLKF-IEBWSBKVSA-N 1 0 301.430 3.306 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000922952034 621135096 /nfs/dbraw/zinc/13/50/96/621135096.db2.gz UUOAEXXYYGKOPN-CQSZACIVSA-N 1 0 307.434 3.474 20 10 DGCDRO CN(C)c1cc(F)c(CNC2CC[NH+](C3CCC3)CC2)cc1F ZINC000858118020 621154776 /nfs/dbraw/zinc/15/47/76/621154776.db2.gz KMNPWFJLIZIKRO-UHFFFAOYSA-N 1 0 323.431 3.137 20 10 DGCDRO Cc1noc(C)c1C[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858140797 621157431 /nfs/dbraw/zinc/15/74/31/621157431.db2.gz GRPZOJCUQYFQMJ-JTQLQIEISA-N 1 0 323.387 3.356 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCC[C@H]2CCCCO2)cc1F ZINC000858157291 621159805 /nfs/dbraw/zinc/15/98/05/621159805.db2.gz WYWALTSWAUSRPB-CQSZACIVSA-N 1 0 312.404 3.470 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)c2ccccn2)cc1F ZINC000858170470 621161060 /nfs/dbraw/zinc/16/10/60/621161060.db2.gz KZJGKTVUKHUADR-UHFFFAOYSA-N 1 0 319.399 3.493 20 10 DGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858176265 621161568 /nfs/dbraw/zinc/16/15/68/621161568.db2.gz RXISQVZHEIRCJK-PHIMTYICSA-N 1 0 314.223 3.200 20 10 DGCDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Br)[C@H](O)C(C)C ZINC000858177858 621161578 /nfs/dbraw/zinc/16/15/78/621161578.db2.gz HIVRWMSGMYKUOY-TZMCWYRMSA-N 1 0 316.239 3.040 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccnc(C)c3)C2)cc1 ZINC000858183058 621162010 /nfs/dbraw/zinc/16/20/10/621162010.db2.gz RLPFWPNAFVBXLH-QGZVFWFLSA-N 1 0 311.429 3.015 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCC2SCCS2)cc1F ZINC000858195200 621163749 /nfs/dbraw/zinc/16/37/49/621163749.db2.gz RNGFWFSEFBJKBW-UHFFFAOYSA-N 1 0 318.458 3.317 20 10 DGCDRO C1=CC[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000858271312 621170994 /nfs/dbraw/zinc/17/09/94/621170994.db2.gz BXWZUOITOQNZSB-QGZVFWFLSA-N 1 0 300.446 3.359 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2COC2)cc1 ZINC000858297354 621172937 /nfs/dbraw/zinc/17/29/37/621172937.db2.gz GQMIANXLEIRKEW-UHFFFAOYSA-N 1 0 302.443 3.121 20 10 DGCDRO Cc1cc(CN2CCC([NH2+]CC3CC3)CC2)ccc1N(C)C ZINC000923293619 621173188 /nfs/dbraw/zinc/17/31/88/621173188.db2.gz ZJMGSYRCHGVWQY-UHFFFAOYSA-N 1 0 301.478 3.025 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3cccc(C)c3C2)c1 ZINC000858459307 621193856 /nfs/dbraw/zinc/19/38/56/621193856.db2.gz CFCDTMWCCVMGPA-KBPBESRZSA-N 1 0 313.397 3.364 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COc3cccc(C)c3C2)c1O ZINC000858459941 621193938 /nfs/dbraw/zinc/19/39/38/621193938.db2.gz OTRKZGGXOAOYJJ-KBPBESRZSA-N 1 0 313.397 3.364 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CC=C(C(=O)OC)C2)cc1 ZINC000858471952 621195291 /nfs/dbraw/zinc/19/52/91/621195291.db2.gz FKOCRIVBTIIVFQ-CJNGLKHVSA-N 1 0 302.418 3.055 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000858474234 621195746 /nfs/dbraw/zinc/19/57/46/621195746.db2.gz XCPDBSDDFOPJCN-WBVHZDCISA-N 1 0 302.418 3.055 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)c(O)c1 ZINC000858478705 621196259 /nfs/dbraw/zinc/19/62/59/621196259.db2.gz AIVVDRIHRNUGEJ-UONOGXRCSA-N 1 0 312.404 3.389 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000858505329 621199361 /nfs/dbraw/zinc/19/93/61/621199361.db2.gz IMBFULPCUQJCQI-RHSMWYFYSA-N 1 0 316.445 3.445 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000858505895 621199842 /nfs/dbraw/zinc/19/98/42/621199842.db2.gz CDLUQKAJSZPTGV-HIFRSBDPSA-N 1 0 303.402 3.312 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)C1 ZINC000858508732 621200187 /nfs/dbraw/zinc/20/01/87/621200187.db2.gz OPDLDEJURATYJE-ZBFHGGJFSA-N 1 0 303.402 3.393 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000858547092 621203599 /nfs/dbraw/zinc/20/35/99/621203599.db2.gz ISCXTLLYBCPSOG-UVIMBBFXSA-N 1 0 301.430 3.489 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000858544947 621203709 /nfs/dbraw/zinc/20/37/09/621203709.db2.gz DVPZRRKAWPBFMG-TXPKVOOTSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc2ccccc2c1O ZINC000858602988 621209022 /nfs/dbraw/zinc/20/90/22/621209022.db2.gz ONUMZUWYTAJVIW-UGSOOPFHSA-N 1 0 324.424 3.349 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000839190489 621346266 /nfs/dbraw/zinc/34/62/66/621346266.db2.gz GLIZXYFRBNUQKD-MDASCCDHSA-N 1 0 300.446 3.442 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1F ZINC000839190757 621346684 /nfs/dbraw/zinc/34/66/84/621346684.db2.gz AINCMLJUCPYLSI-QFBILLFUSA-N 1 0 320.452 3.265 20 10 DGCDRO Cc1cc(C[N@H+]2CCCN(C)CC2)ccc1N1CCCCC1 ZINC000839465643 621378867 /nfs/dbraw/zinc/37/88/67/621378867.db2.gz ZCTBKAGKNVKNOJ-UHFFFAOYSA-N 1 0 301.478 3.123 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2[C@H](C)CC(C(=O)OC)C[C@H]2C)cc1 ZINC000860190996 621379314 /nfs/dbraw/zinc/37/93/14/621379314.db2.gz YUKAYZZGROLOBV-HUUCEWRRSA-N 1 0 318.461 3.305 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3cc(OC)ccc3C2)c1 ZINC000753574963 621450312 /nfs/dbraw/zinc/45/03/12/621450312.db2.gz GUXVVBSTOQUIAT-INIZCTEOSA-N 1 0 313.397 3.057 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c(O)c1 ZINC000753576266 621450630 /nfs/dbraw/zinc/45/06/30/621450630.db2.gz QJVIRUYHKBATGX-MRXNPFEDSA-N 1 0 305.418 3.039 20 10 DGCDRO Oc1ccccc1C[N@H+](CC[C@@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000754070163 621484975 /nfs/dbraw/zinc/48/49/75/621484975.db2.gz WVQKHSUGRJFTFD-ROUUACIJSA-N 1 0 319.445 3.332 20 10 DGCDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000754131003 621490123 /nfs/dbraw/zinc/49/01/23/621490123.db2.gz TWYOMMJYZXIZON-NYTXWWLZSA-N 1 0 306.425 3.185 20 10 DGCDRO C[C@H]1CSCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862244774 621566383 /nfs/dbraw/zinc/56/63/83/621566383.db2.gz FTOZWQBULGBNBO-VIFPVBQESA-N 1 0 302.237 3.092 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1F ZINC000862250521 621567168 /nfs/dbraw/zinc/56/71/68/621567168.db2.gz PZLUTWJBUHSGLF-CQSZACIVSA-N 1 0 324.415 3.279 20 10 DGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(F)c(N(C)C)cc1F ZINC000862252438 621567766 /nfs/dbraw/zinc/56/77/66/621567766.db2.gz UCQVSIKTSSULBX-CABCVRRESA-N 1 0 323.431 3.089 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000862253100 621568394 /nfs/dbraw/zinc/56/83/94/621568394.db2.gz IQZWHLUSIDGSKW-KGLIPLIRSA-N 1 0 324.415 3.279 20 10 DGCDRO C[N@H+](CCc1ccncc1)Cc1c(O)cccc1Br ZINC000862324228 621574570 /nfs/dbraw/zinc/57/45/70/621574570.db2.gz GNMTVCWPKIGZJC-UHFFFAOYSA-N 1 0 321.218 3.224 20 10 DGCDRO C[C@@H]1CSCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862344256 621576181 /nfs/dbraw/zinc/57/61/81/621576181.db2.gz OAXNCOJTTYWBCH-JTQLQIEISA-N 1 0 316.264 3.340 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCC(CC(=O)OC)CC1 ZINC000862348490 621576517 /nfs/dbraw/zinc/57/65/17/621576517.db2.gz QLMSQAHIOWWLJV-UHFFFAOYSA-N 1 0 318.461 3.484 20 10 DGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862351971 621576669 /nfs/dbraw/zinc/57/66/69/621576669.db2.gz XJSIEBZFUUVNLU-QGZVFWFLSA-N 1 0 312.404 3.422 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F ZINC000862384247 621582371 /nfs/dbraw/zinc/58/23/71/621582371.db2.gz SLNUBBDOWQUKMZ-FDQGKXFDSA-N 1 0 324.415 3.156 20 10 DGCDRO CC[C@H](C)[N@H+](CCO)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000862387624 621583041 /nfs/dbraw/zinc/58/30/41/621583041.db2.gz OMOHAXOGWKRTOJ-ZDUSSCGKSA-N 1 0 309.450 3.291 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1F ZINC000862398368 621584612 /nfs/dbraw/zinc/58/46/12/621584612.db2.gz GQRWNAQOXNMCMS-DYVFJYSZSA-N 1 0 324.415 3.422 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862489555 621595724 /nfs/dbraw/zinc/59/57/24/621595724.db2.gz PDHKMQYUOPDXNS-FUTAKVPZSA-N 1 0 314.429 3.007 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CCc2nc(C3CC3)ncc2C1 ZINC000862508739 621596552 /nfs/dbraw/zinc/59/65/52/621596552.db2.gz XUGJXKSDQXSZKK-UHFFFAOYSA-N 1 0 322.456 3.287 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000862541733 621598792 /nfs/dbraw/zinc/59/87/92/621598792.db2.gz UTRZLNWOPCFXJH-CYBMUJFWSA-N 1 0 308.422 3.046 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c(O)c1C ZINC000756353462 621630185 /nfs/dbraw/zinc/63/01/85/621630185.db2.gz ZQACBUGPNHCILA-CABCVRRESA-N 1 0 313.397 3.500 20 10 DGCDRO C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756361243 621630919 /nfs/dbraw/zinc/63/09/19/621630919.db2.gz JQKHYCNQKJPNKE-CYBMUJFWSA-N 1 0 312.404 3.443 20 10 DGCDRO COc1ccccc1OCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756374200 621632722 /nfs/dbraw/zinc/63/27/22/621632722.db2.gz YWAAHVPSUXUJJW-GFCCVEGCSA-N 1 0 305.349 3.270 20 10 DGCDRO COc1ccccc1OCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756374144 621632810 /nfs/dbraw/zinc/63/28/10/621632810.db2.gz XZYQHXCMEFKKAD-CQSZACIVSA-N 1 0 301.386 3.439 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCCCC1 ZINC000756434029 621638393 /nfs/dbraw/zinc/63/83/93/621638393.db2.gz HTJUVRBXVIIDHA-KGLIPLIRSA-N 1 0 321.421 3.073 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000756454355 621639418 /nfs/dbraw/zinc/63/94/18/621639418.db2.gz MBLVPGBGKYUZDG-FZKCQIBNSA-N 1 0 320.477 3.418 20 10 DGCDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000756491141 621641492 /nfs/dbraw/zinc/64/14/92/621641492.db2.gz YKGYBEVCAQXNEF-ZBOXLXRLSA-N 1 0 310.825 3.001 20 10 DGCDRO C[C@H](Cc1cnccn1)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756495866 621642091 /nfs/dbraw/zinc/64/20/91/621642091.db2.gz SQQSVZFFSGZCMC-WDMOLILDSA-N 1 0 301.365 3.090 20 10 DGCDRO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(Cl)ccc1O ZINC000756501157 621642995 /nfs/dbraw/zinc/64/29/95/621642995.db2.gz BPCHGJVBONSLCQ-JTQLQIEISA-N 1 0 318.795 3.426 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1O ZINC000756503950 621643181 /nfs/dbraw/zinc/64/31/81/621643181.db2.gz RHWZAYAHJMMYFG-GXSJLCMTSA-N 1 0 322.758 3.333 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Cl)ccc1O ZINC000756582129 621651151 /nfs/dbraw/zinc/65/11/51/621651151.db2.gz GJWDGBXSBHTWNM-SCRDCRAPSA-N 1 0 324.852 3.343 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c(O)c1C ZINC000756639359 621654985 /nfs/dbraw/zinc/65/49/85/621654985.db2.gz XOBCYGJBRZPQIR-HNNXBMFYSA-N 1 0 318.461 3.451 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)c(O)c1C ZINC000756638867 621655259 /nfs/dbraw/zinc/65/52/59/621655259.db2.gz WEQMFQZRJBOWIT-GFCCVEGCSA-N 1 0 305.447 3.382 20 10 DGCDRO C[C@H]([NH2+]CCCNc1ncccn1)c1ccc2ccccc2c1O ZINC000756643123 621655627 /nfs/dbraw/zinc/65/56/27/621655627.db2.gz ROIOGIUQAAZBMF-AWEZNQCLSA-N 1 0 322.412 3.488 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(-n3cccn3)c2)c1 ZINC000756714059 621659662 /nfs/dbraw/zinc/65/96/62/621659662.db2.gz XYEBMNNQARGSTN-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCCOC2CCOCC2)c2c1c(F)ccc2O ZINC000756734789 621661666 /nfs/dbraw/zinc/66/16/66/621661666.db2.gz ZNWOCXMHIKFWDK-WFASDCNBSA-N 1 0 323.408 3.255 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)n2)c2c1c(F)ccc2O ZINC000756770273 621663498 /nfs/dbraw/zinc/66/34/98/621663498.db2.gz VTVSXOOMLYOEDW-BXUZGUMPSA-N 1 0 315.392 3.330 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000756774388 621663678 /nfs/dbraw/zinc/66/36/78/621663678.db2.gz CKSOZRDQFXFGEC-ZWNOBZJWSA-N 1 0 317.351 3.235 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@]3(CCOC3)C2)c2c1c(F)ccc2O ZINC000756783442 621664321 /nfs/dbraw/zinc/66/43/21/621664321.db2.gz YWNAAJKEUBBBMM-BKTMZONDSA-N 1 0 321.392 3.007 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)cc1F ZINC000756994046 621677963 /nfs/dbraw/zinc/67/79/63/621677963.db2.gz KOFOBQWCZBBQPC-GFCCVEGCSA-N 1 0 322.346 3.075 20 10 DGCDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000863547262 621682810 /nfs/dbraw/zinc/68/28/10/621682810.db2.gz RBEAXJRGHPDLOS-JTDSTZFVSA-N 1 0 301.478 3.468 20 10 DGCDRO [NH3+]C[C@@H]1CN(Cc2c(O)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000863646292 621693251 /nfs/dbraw/zinc/69/32/51/621693251.db2.gz ISGYFGSFMYOJON-KOLCDFICSA-N 1 0 322.758 3.005 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000839621348 621701542 /nfs/dbraw/zinc/70/15/42/621701542.db2.gz IWLDWEHLIMJKGV-XHSDSOJGSA-N 1 0 318.461 3.392 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000839637104 621706433 /nfs/dbraw/zinc/70/64/33/621706433.db2.gz VFVNIJGLKBZPPH-UXHICEINSA-N 1 0 310.441 3.451 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000757653541 621731155 /nfs/dbraw/zinc/73/11/55/621731155.db2.gz JIHYGISANNIZBA-TZMCWYRMSA-N 1 0 307.365 3.423 20 10 DGCDRO Cc1noc(C[C@@H]([NH2+]Cc2ccccc2O)c2ccccc2)n1 ZINC000758617281 621792441 /nfs/dbraw/zinc/79/24/41/621792441.db2.gz KBNZCMZZGZOXFM-MRXNPFEDSA-N 1 0 309.369 3.157 20 10 DGCDRO CC(C)CO[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000759143296 621829559 /nfs/dbraw/zinc/82/95/59/621829559.db2.gz FRQFZPGOZCFDKH-HNNXBMFYSA-N 1 0 300.402 3.187 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C2(CC(N)=O)CCC2)cc1 ZINC000789552407 625525289 /nfs/dbraw/zinc/52/52/89/625525289.db2.gz FGHXBSXTRFDLRL-UHFFFAOYSA-N 1 0 317.477 3.201 20 10 DGCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000759753089 621887932 /nfs/dbraw/zinc/88/79/32/621887932.db2.gz CPVWUFHYESNDOZ-IBGZPJMESA-N 1 0 319.445 3.383 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccccc1O ZINC000760040451 621912330 /nfs/dbraw/zinc/91/23/30/621912330.db2.gz KHYRGGQCVNAZLB-BOFPYLFWSA-N 1 0 315.388 3.348 20 10 DGCDRO CS[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000865733326 621985361 /nfs/dbraw/zinc/98/53/61/621985361.db2.gz HZFVUWISRYKWSA-KYZUINATSA-N 1 0 302.237 3.138 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c(O)c1 ZINC000865736118 621986024 /nfs/dbraw/zinc/98/60/24/621986024.db2.gz GGNFRQUWFZELHJ-MSOLQXFVSA-N 1 0 305.418 3.228 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000761206547 621994103 /nfs/dbraw/zinc/99/41/03/621994103.db2.gz KWCNJZHLKWFZFC-BBRMVZONSA-N 1 0 313.825 3.347 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C1CCOCC1 ZINC000761215459 621994910 /nfs/dbraw/zinc/99/49/10/621994910.db2.gz LURVZCXHCKLLJJ-AWEZNQCLSA-N 1 0 313.825 3.349 20 10 DGCDRO CCc1ncc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000761222325 621995674 /nfs/dbraw/zinc/99/56/74/621995674.db2.gz SZBRSKKPDBJPKO-UHFFFAOYSA-N 1 0 319.474 3.282 20 10 DGCDRO CCOCc1cc(C[NH2+]C2(CC)CCOCC2)ccc1OC ZINC000761339348 622002270 /nfs/dbraw/zinc/00/22/70/622002270.db2.gz ZSQPOFCQSMHDQV-UHFFFAOYSA-N 1 0 307.434 3.281 20 10 DGCDRO C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1O ZINC000866160907 622056615 /nfs/dbraw/zinc/05/66/15/622056615.db2.gz HJFRGCJUJMKUFR-CYBMUJFWSA-N 1 0 313.401 3.337 20 10 DGCDRO C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000866247525 622075465 /nfs/dbraw/zinc/07/54/65/622075465.db2.gz AVTGMLDVKCSPEI-AWEZNQCLSA-N 1 0 301.409 3.398 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000866414542 622114367 /nfs/dbraw/zinc/11/43/67/622114367.db2.gz HZVHEBPQDVLTBO-OFQRWUPVSA-N 1 0 306.425 3.238 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Br)cc1O ZINC000866442874 622119185 /nfs/dbraw/zinc/11/91/85/622119185.db2.gz DQTCZHNDINHJKY-PRFIWBCESA-N 1 0 314.223 3.371 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc(Br)ccc1O ZINC000866443406 622119198 /nfs/dbraw/zinc/11/91/98/622119198.db2.gz LXGADMPCTDXAMP-COMAGPEQSA-N 1 0 314.223 3.371 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1O ZINC000866513111 622130307 /nfs/dbraw/zinc/13/03/07/622130307.db2.gz RMRFDZGQLKTSMK-DXCKQFNASA-N 1 0 305.418 3.257 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+][C@H](CC)c2ccc(C)cc2O)on1 ZINC000866515523 622130810 /nfs/dbraw/zinc/13/08/10/622130810.db2.gz JKHBJNCXVCLKJR-CQSZACIVSA-N 1 0 318.373 3.106 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000866539083 622134956 /nfs/dbraw/zinc/13/49/56/622134956.db2.gz FDOBNTZTDNWCQD-JDFRZJQESA-N 1 0 305.418 3.114 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(Br)cn1)CC2 ZINC000866568937 622140419 /nfs/dbraw/zinc/14/04/19/622140419.db2.gz ICGGGUDSWREGEK-ZDUSSCGKSA-N 1 0 319.202 3.327 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763671147 622157676 /nfs/dbraw/zinc/15/76/76/622157676.db2.gz JDSAJIHYSSFKTR-KRWDZBQOSA-N 1 0 316.445 3.059 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCN(c3cccs3)CC2)cc1C ZINC000121620500 622166987 /nfs/dbraw/zinc/16/69/87/622166987.db2.gz GBOXRIHYMTYZQU-UHFFFAOYSA-N 1 0 302.443 3.393 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000121851271 622186737 /nfs/dbraw/zinc/18/67/37/622186737.db2.gz GPJAIWHJSQEFLH-QRVBRYPASA-N 1 0 314.473 3.498 20 10 DGCDRO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000764966006 622236639 /nfs/dbraw/zinc/23/66/39/622236639.db2.gz WXRFIIRMTLKWMR-KFKAGJAMSA-N 1 0 301.478 3.420 20 10 DGCDRO C[C@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)[S@](C)=O ZINC000765287117 622256918 /nfs/dbraw/zinc/25/69/18/622256918.db2.gz SARODSSTLINOAC-PEBXRYMYSA-N 1 0 317.454 3.306 20 10 DGCDRO C[C@@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)[S@](C)=O ZINC000765287107 622257018 /nfs/dbraw/zinc/25/70/18/622257018.db2.gz SARODSSTLINOAC-FPTDNZKUSA-N 1 0 317.454 3.306 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000765393501 622262465 /nfs/dbraw/zinc/26/24/65/622262465.db2.gz KLYXMJVMCDJXQX-KBPBESRZSA-N 1 0 306.425 3.359 20 10 DGCDRO Cc1occc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765396850 622263024 /nfs/dbraw/zinc/26/30/24/622263024.db2.gz NIDIEZBXSQHCKH-CQSZACIVSA-N 1 0 300.402 3.275 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765765018 622285924 /nfs/dbraw/zinc/28/59/24/622285924.db2.gz BWDSYVXHLVHPFM-HOCLYGCPSA-N 1 0 305.441 3.171 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)[C@H](O)C(F)(F)F ZINC000765786725 622287349 /nfs/dbraw/zinc/28/73/49/622287349.db2.gz IDPKFSURMDOLFS-GJZGRUSLSA-N 1 0 318.383 3.324 20 10 DGCDRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000766603057 622341226 /nfs/dbraw/zinc/34/12/26/622341226.db2.gz MDJIYMHIRLLKTJ-RRQGHBQHSA-N 1 0 306.475 3.068 20 10 DGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1c(O)cccc1Cl)C2 ZINC000767418175 622397446 /nfs/dbraw/zinc/39/74/46/622397446.db2.gz UYLWVLXRAWIWNM-LBPRGKRZSA-N 1 0 319.788 3.148 20 10 DGCDRO CCCCCn1cc(C[NH2+]Cc2c(O)cccc2OC)c(C)n1 ZINC000767428038 622398272 /nfs/dbraw/zinc/39/82/72/622398272.db2.gz YFLRLHHTKPZLLU-UHFFFAOYSA-N 1 0 317.433 3.386 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CC3CCC2CC3)ccc1N1CCOCC1 ZINC000767931007 622428758 /nfs/dbraw/zinc/42/87/58/622428758.db2.gz ZSJSRPPFDMVFCJ-PVARCSIZSA-N 1 0 318.436 3.331 20 10 DGCDRO CCOC(=O)CC1([NH2+]Cc2cccc(OCC)c2O)CCCC1 ZINC000789777670 625566287 /nfs/dbraw/zinc/56/62/87/625566287.db2.gz AGFGCSILXYEYJM-UHFFFAOYSA-N 1 0 321.417 3.147 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1COc2ccccc2O1 ZINC000768182207 622443552 /nfs/dbraw/zinc/44/35/52/622443552.db2.gz WTXBTSRMXLORMC-AWEZNQCLSA-N 1 0 319.788 3.317 20 10 DGCDRO COc1cccc(CN2CC[NH+](CC3CCCCC3)CC2)c1O ZINC000768241608 622446946 /nfs/dbraw/zinc/44/69/46/622446946.db2.gz XMPLOKGCHZUJAF-UHFFFAOYSA-N 1 0 318.461 3.099 20 10 DGCDRO C[N@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768438007 622455712 /nfs/dbraw/zinc/45/57/12/622455712.db2.gz NMBBABUKDJJQEV-MRXNPFEDSA-N 1 0 319.788 3.103 20 10 DGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768438010 622455753 /nfs/dbraw/zinc/45/57/53/622455753.db2.gz NQFIERXZFKQALK-INIZCTEOSA-N 1 0 317.429 3.046 20 10 DGCDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444545 622456360 /nfs/dbraw/zinc/45/63/60/622456360.db2.gz CNFFTPZZKHGOHG-MJEQTWJJSA-N 1 0 305.418 3.219 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC3(CCCCC3)C1)[C@@H](O)CO2 ZINC000768447960 622456641 /nfs/dbraw/zinc/45/66/41/622456641.db2.gz SBORZIPCLNJOFO-KRWDZBQOSA-N 1 0 317.429 3.364 20 10 DGCDRO CC(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768449269 622456676 /nfs/dbraw/zinc/45/66/76/622456676.db2.gz ZABGVBPIQVSICB-CXAGYDPISA-N 1 0 305.418 3.076 20 10 DGCDRO CC(C)C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768463349 622458280 /nfs/dbraw/zinc/45/82/80/622458280.db2.gz HJJUMHVQEPPADC-DYVFJYSZSA-N 1 0 305.418 3.076 20 10 DGCDRO Cc1cccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1O ZINC000768531968 622462369 /nfs/dbraw/zinc/46/23/69/622462369.db2.gz IXVDCWUBVQYUMM-HNNXBMFYSA-N 1 0 317.351 3.226 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+]C3CC(C(F)F)C3)cc2)CC1 ZINC000768687901 622471033 /nfs/dbraw/zinc/47/10/33/622471033.db2.gz MMAQUPJIIXKEAF-UHFFFAOYSA-N 1 0 324.415 3.029 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C3CC(C(F)F)C3)CC2)cc1 ZINC000768687296 622471086 /nfs/dbraw/zinc/47/10/86/622471086.db2.gz NLQKTXOQIYSJGX-UHFFFAOYSA-N 1 0 310.388 3.297 20 10 DGCDRO CN(C)c1ccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000768979614 622489693 /nfs/dbraw/zinc/48/96/93/622489693.db2.gz DHXKRYSQZWQYDX-RTBURBONSA-N 1 0 321.468 3.321 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000769159448 622503547 /nfs/dbraw/zinc/50/35/47/622503547.db2.gz CCRUILBRVBFFLU-FQEVSTJZSA-N 1 0 313.489 3.347 20 10 DGCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCCCNC1=O ZINC000769200758 622507245 /nfs/dbraw/zinc/50/72/45/622507245.db2.gz CNPDLXIUSWZLHS-GOSISDBHSA-N 1 0 324.424 3.160 20 10 DGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000769240837 622510389 /nfs/dbraw/zinc/51/03/89/622510389.db2.gz SBORYAPWIJFZLD-NSHDSACASA-N 1 0 307.781 3.117 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000769290815 622514245 /nfs/dbraw/zinc/51/42/45/622514245.db2.gz JRSMPSZQIMYAMA-GASCZTMLSA-N 1 0 304.434 3.004 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000769302215 622515679 /nfs/dbraw/zinc/51/56/79/622515679.db2.gz PQXHCQHCAKNXDB-MRXNPFEDSA-N 1 0 307.457 3.198 20 10 DGCDRO CN1CC[N@H+](Cc2c(O)cccc2Cl)Cc2ccccc21 ZINC000769320841 622517285 /nfs/dbraw/zinc/51/72/85/622517285.db2.gz YKLZBQARHUXRIC-UHFFFAOYSA-N 1 0 302.805 3.498 20 10 DGCDRO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000769423849 622526498 /nfs/dbraw/zinc/52/64/98/622526498.db2.gz IBOKQAVLIHJZQB-LLVKDONJSA-N 1 0 315.344 3.379 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2(O)CCCC2)cc1F ZINC000769446809 622528601 /nfs/dbraw/zinc/52/86/01/622528601.db2.gz BPUHLIHMWSUOMY-UHFFFAOYSA-N 1 0 308.441 3.409 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1F ZINC000769450173 622528691 /nfs/dbraw/zinc/52/86/91/622528691.db2.gz BNBMONLTGRYSIF-GOEBONIOSA-N 1 0 308.441 3.407 20 10 DGCDRO C[C@H](NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccccc1O ZINC000870988401 622531312 /nfs/dbraw/zinc/53/13/12/622531312.db2.gz OQRXMJWEWALXLT-BBRMVZONSA-N 1 0 324.424 3.262 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000769504216 622535135 /nfs/dbraw/zinc/53/51/35/622535135.db2.gz QCSXFGGWJJUGSV-MRXNPFEDSA-N 1 0 312.413 3.477 20 10 DGCDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000769513593 622536773 /nfs/dbraw/zinc/53/67/73/622536773.db2.gz CHKFYKNUQXBQAW-AWEZNQCLSA-N 1 0 308.853 3.209 20 10 DGCDRO CCc1ccc(CN2CC[NH+](Cc3ccccc3O)CC2)s1 ZINC000770510830 622641484 /nfs/dbraw/zinc/64/14/84/622641484.db2.gz RIPBOEBADVWAIO-UHFFFAOYSA-N 1 0 316.470 3.334 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)cc1OC ZINC000770671022 622658555 /nfs/dbraw/zinc/65/85/55/622658555.db2.gz WEDZATZORCXKJU-ZDUSSCGKSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC(C)(C)CO3)CC2)cc1 ZINC000872108175 622810870 /nfs/dbraw/zinc/81/08/70/622810870.db2.gz XFZDNXWTZMOXPX-SFHVURJKSA-N 1 0 318.461 3.069 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)cc1 ZINC000872117353 622817928 /nfs/dbraw/zinc/81/79/28/622817928.db2.gz OUDXMRKTYUWDKI-GDBMZVCRSA-N 1 0 304.434 3.137 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872253703 622868214 /nfs/dbraw/zinc/86/82/14/622868214.db2.gz DVPSGKNWVYIACI-QDLOVBKTSA-N 1 0 310.388 3.122 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](C3CCC3)CC1)[C@@H](O)CO2 ZINC000872701366 622955963 /nfs/dbraw/zinc/95/59/63/622955963.db2.gz WBJHNASPRZKZRX-KSSFIOAISA-N 1 0 317.429 3.220 20 10 DGCDRO CC[C@H]([NH2+]CCOc1ncccc1F)c1ccc(N(C)C)cc1 ZINC000773083689 622980606 /nfs/dbraw/zinc/98/06/06/622980606.db2.gz NKMDJQLGMOCCAY-KRWDZBQOSA-N 1 0 317.408 3.406 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c(O)cc1C ZINC000872806122 622983199 /nfs/dbraw/zinc/98/31/99/622983199.db2.gz JTQGYKHGBDUOIN-CYBMUJFWSA-N 1 0 318.442 3.464 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000773103839 622983777 /nfs/dbraw/zinc/98/37/77/622983777.db2.gz LTIIGNWMGMEGLJ-QAPCUYQASA-N 1 0 302.462 3.489 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(O)cc1C ZINC000773256542 623006067 /nfs/dbraw/zinc/00/60/67/623006067.db2.gz CIZOXLAGUOJLKO-CVEARBPZSA-N 1 0 319.445 3.348 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2ccnc(OC)c2)cc1C ZINC000873010938 623016721 /nfs/dbraw/zinc/01/67/21/623016721.db2.gz QNIHRNIQJBVYLF-UHFFFAOYSA-N 1 0 300.402 3.477 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000773402829 623022642 /nfs/dbraw/zinc/02/26/42/623022642.db2.gz UDIPOUPVONBSPW-XEKQOVJPSA-N 1 0 313.397 3.444 20 10 DGCDRO CCCOc1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)cc1C ZINC000873036480 623022962 /nfs/dbraw/zinc/02/29/62/623022962.db2.gz XDKHBZHPADGZHH-UHFFFAOYSA-N 1 0 318.461 3.321 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC[S@](=O)C(C)(C)C)cc1C ZINC000873053332 623026513 /nfs/dbraw/zinc/02/65/13/623026513.db2.gz ISFBMWNBNRJRLD-NRFANRHFSA-N 1 0 311.491 3.421 20 10 DGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccon3)C2)cc1 ZINC000873064393 623028533 /nfs/dbraw/zinc/02/85/33/623028533.db2.gz WVVBZRBQHSRVTG-CYBMUJFWSA-N 1 0 323.343 3.035 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc[nH]2)cc1Cn1cccn1 ZINC000873097835 623035574 /nfs/dbraw/zinc/03/55/74/623035574.db2.gz WXDDZOUJJPWNRD-CQSZACIVSA-N 1 0 310.401 3.119 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc[nH]2)cc1Cn1cccn1 ZINC000873097834 623035878 /nfs/dbraw/zinc/03/58/78/623035878.db2.gz WXDDZOUJJPWNRD-AWEZNQCLSA-N 1 0 310.401 3.119 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(CCC)C2)cc1C ZINC000873132026 623043613 /nfs/dbraw/zinc/04/36/13/623043613.db2.gz DJDRHZPWBPUEDE-QGZVFWFLSA-N 1 0 318.461 3.132 20 10 DGCDRO COc1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)cc1Cn1cccn1 ZINC000873150774 623050920 /nfs/dbraw/zinc/05/09/20/623050920.db2.gz QFEPCHKXSCETPA-HKUYNNGSSA-N 1 0 311.429 3.362 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCOC(F)(F)C(F)(F)F)cc1 ZINC000873159424 623056884 /nfs/dbraw/zinc/05/68/84/623056884.db2.gz NWSJJSAACZIFNR-UHFFFAOYSA-N 1 0 312.282 3.014 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000773757965 623068350 /nfs/dbraw/zinc/06/83/50/623068350.db2.gz SPOUCSZEJCBGNZ-GJZGRUSLSA-N 1 0 316.367 3.030 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000773773737 623071787 /nfs/dbraw/zinc/07/17/87/623071787.db2.gz AICOAJDUAHGZKL-HXUWFJFHSA-N 1 0 310.441 3.234 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873252425 623091854 /nfs/dbraw/zinc/09/18/54/623091854.db2.gz RPLDVUONOCIIPX-SBMIAAHKSA-N 1 0 303.233 3.477 20 10 DGCDRO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000774193203 623118247 /nfs/dbraw/zinc/11/82/47/623118247.db2.gz UMPIZCQXPZSXQH-CYBMUJFWSA-N 1 0 316.401 3.291 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1 ZINC000774378366 623138322 /nfs/dbraw/zinc/13/83/22/623138322.db2.gz LINGGLIVGLNXNT-HNAYVOBHSA-N 1 0 301.478 3.420 20 10 DGCDRO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774483314 623151505 /nfs/dbraw/zinc/15/15/05/623151505.db2.gz JQNTXZDHFDTHIE-GJZGRUSLSA-N 1 0 305.466 3.098 20 10 DGCDRO COc1c([O-])c(C[N@@H+]2CCC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000774834019 623197130 /nfs/dbraw/zinc/19/71/30/623197130.db2.gz SDIHEERCOJXKPC-CYBMUJFWSA-N 1 0 308.378 3.320 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCC[C@H]2OC)ccc1OC ZINC000774831742 623197319 /nfs/dbraw/zinc/19/73/19/623197319.db2.gz YGQRTXAENZWZCU-DOTOQJQBSA-N 1 0 307.434 3.136 20 10 DGCDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000775128390 623233951 /nfs/dbraw/zinc/23/39/51/623233951.db2.gz AQLKTRORXNZVNL-HZPDHXFCSA-N 1 0 315.413 3.100 20 10 DGCDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000775128389 623234002 /nfs/dbraw/zinc/23/40/02/623234002.db2.gz AQLKTRORXNZVNL-HOTGVXAUSA-N 1 0 315.413 3.100 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000775143841 623235083 /nfs/dbraw/zinc/23/50/83/623235083.db2.gz CDRXSVDZGRJDNT-TVQRCGJNSA-N 1 0 323.742 3.181 20 10 DGCDRO C[C@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccc(N(C)C)cc1 ZINC000775361695 623259741 /nfs/dbraw/zinc/25/97/41/623259741.db2.gz DNNRUVVCEFUSJF-ZDUSSCGKSA-N 1 0 312.392 3.390 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c(O)c1 ZINC000775371635 623261399 /nfs/dbraw/zinc/26/13/99/623261399.db2.gz OPBCTTPEDSRACZ-AEFFLSMTSA-N 1 0 307.434 3.474 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775487700 623278782 /nfs/dbraw/zinc/27/87/82/623278782.db2.gz NVFQUCUOSGHKMQ-GOEBONIOSA-N 1 0 318.804 3.313 20 10 DGCDRO CC[C@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cc(Cl)ccc1O ZINC000775497797 623280812 /nfs/dbraw/zinc/28/08/12/623280812.db2.gz UPPRQGCLXOEATE-HGMXIMQMSA-N 1 0 324.852 3.391 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cc(Cl)ccc1O ZINC000775499348 623280845 /nfs/dbraw/zinc/28/08/45/623280845.db2.gz BWKLQXIHKAWVCX-OCCSQVGLSA-N 1 0 320.824 3.001 20 10 DGCDRO CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000775525311 623284957 /nfs/dbraw/zinc/28/49/57/623284957.db2.gz KKCYHLWVYUJOTR-CMPLNLGQSA-N 1 0 311.731 3.400 20 10 DGCDRO CC[C@@H]([NH2+]C1(COC)CC1)c1cc(Br)ccc1O ZINC000775541064 623287036 /nfs/dbraw/zinc/28/70/36/623287036.db2.gz UHQINZXQZKTLLQ-GFCCVEGCSA-N 1 0 314.223 3.374 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)CCCOc2ccc(F)cc2)c1 ZINC000775655329 623305692 /nfs/dbraw/zinc/30/56/92/623305692.db2.gz DTGJLHJTBBHNLM-UHFFFAOYSA-N 1 0 319.376 3.441 20 10 DGCDRO CCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775656592 623306650 /nfs/dbraw/zinc/30/66/50/623306650.db2.gz WWINGYVTSXGQFM-UHFFFAOYSA-N 1 0 324.852 3.235 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+](C[C@@H](C)O)C(C)C)c1O ZINC000775680473 623312455 /nfs/dbraw/zinc/31/24/55/623312455.db2.gz FYNMMMKPLFAPDN-LLVKDONJSA-N 1 0 316.239 3.054 20 10 DGCDRO CC[N@H+](Cc1cccc(C)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000775695586 623314971 /nfs/dbraw/zinc/31/49/71/623314971.db2.gz NWESAYPVRVQBMK-SFHVURJKSA-N 1 0 324.424 3.328 20 10 DGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775716685 623318541 /nfs/dbraw/zinc/31/85/41/623318541.db2.gz ZTODSCGMCCKIFV-FZMZJTMJSA-N 1 0 314.832 3.489 20 10 DGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775716684 623318804 /nfs/dbraw/zinc/31/88/04/623318804.db2.gz ZTODSCGMCCKIFV-BXUZGUMPSA-N 1 0 314.832 3.489 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000775726618 623319342 /nfs/dbraw/zinc/31/93/42/623319342.db2.gz XMMJYDYJBLBXHK-ZDUSSCGKSA-N 1 0 322.767 3.233 20 10 DGCDRO CC(C)CN(C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000775834516 623339330 /nfs/dbraw/zinc/33/93/30/623339330.db2.gz UMWFIEIZNLLJSF-OAHLLOKOSA-N 1 0 317.477 3.050 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)C12CCCC2 ZINC000776224268 623399124 /nfs/dbraw/zinc/39/91/24/623399124.db2.gz RQRHYIKPLUYCCL-SJORKVTESA-N 1 0 305.418 3.228 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)C12CCCC2 ZINC000776224265 623399497 /nfs/dbraw/zinc/39/94/97/623399497.db2.gz RQRHYIKPLUYCCL-IRXDYDNUSA-N 1 0 305.418 3.228 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC2([C@@H](C)CCO)CCC2)c1 ZINC000776257110 623402656 /nfs/dbraw/zinc/40/26/56/623402656.db2.gz IDPVNOCHBFFBJO-AWEZNQCLSA-N 1 0 307.434 3.069 20 10 DGCDRO C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000021510992 623566361 /nfs/dbraw/zinc/56/63/61/623566361.db2.gz DGSXWFBLEPERQL-UHFFFAOYSA-N 1 0 305.249 3.376 20 10 DGCDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876525966 623633529 /nfs/dbraw/zinc/63/35/29/623633529.db2.gz NYAHLDBVEGJARN-HZPDHXFCSA-N 1 0 302.462 3.126 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876643108 623667884 /nfs/dbraw/zinc/66/78/84/623667884.db2.gz UGSNFGSPXPYOQN-MRXNPFEDSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000876682981 623680961 /nfs/dbraw/zinc/68/09/61/623680961.db2.gz QBTIYUAPWLBPAF-GOSISDBHSA-N 1 0 301.361 3.413 20 10 DGCDRO C[C@@H]([N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1)C1(C)CC1 ZINC000876806538 623710965 /nfs/dbraw/zinc/71/09/65/623710965.db2.gz PZICCFUKODSHSQ-OAHLLOKOSA-N 1 0 302.462 3.268 20 10 DGCDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876806661 623711054 /nfs/dbraw/zinc/71/10/54/623711054.db2.gz RJRWXCISHBHYAP-KRWDZBQOSA-N 1 0 302.462 3.126 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(F)ccc2O)cc1OC ZINC000778992956 623717081 /nfs/dbraw/zinc/71/70/81/623717081.db2.gz MNVZSOCERPPANT-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCSCC1 ZINC000779014158 623720740 /nfs/dbraw/zinc/72/07/40/623720740.db2.gz WAXNADMQUBUEAT-OAHLLOKOSA-N 1 0 320.502 3.145 20 10 DGCDRO CCOC(=O)C1([N@H+](C)Cc2cc(F)ccc2O)CCCCC1 ZINC000779023513 623721334 /nfs/dbraw/zinc/72/13/34/623721334.db2.gz SMKNAOJZIXZQIG-UHFFFAOYSA-N 1 0 309.381 3.229 20 10 DGCDRO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@@H+]1Cc1ccccc1O ZINC000779020827 623721615 /nfs/dbraw/zinc/72/16/15/623721615.db2.gz TZOSVQYUXDSHTM-DLBZAZTESA-N 1 0 310.441 3.487 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(O)CCC2)c1O ZINC000779024488 623721783 /nfs/dbraw/zinc/72/17/83/623721783.db2.gz NTQGDFDZJNXJGC-JTQLQIEISA-N 1 0 314.223 3.029 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000876930121 623746970 /nfs/dbraw/zinc/74/69/70/623746970.db2.gz LSFBMCGOAIBHEP-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO CCCNC(=O)c1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876940045 623750441 /nfs/dbraw/zinc/75/04/41/623750441.db2.gz OYGCQSNIRTYXHI-UHFFFAOYSA-N 1 0 312.413 3.130 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c(O)c1 ZINC000876939762 623750575 /nfs/dbraw/zinc/75/05/75/623750575.db2.gz KOPRUPGTIZOQKS-ZDUSSCGKSA-N 1 0 310.397 3.436 20 10 DGCDRO COCCOc1cccc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000876942199 623750720 /nfs/dbraw/zinc/75/07/20/623750720.db2.gz QZDAVJNBTJZXRD-UHFFFAOYSA-N 1 0 301.386 3.016 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3Cc4ccccc43)cc2)CC1 ZINC000877017390 623766520 /nfs/dbraw/zinc/76/65/20/623766520.db2.gz ULEFGQVNXRRHTP-GOSISDBHSA-N 1 0 322.452 3.077 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1F ZINC000779432109 623769446 /nfs/dbraw/zinc/76/94/46/623769446.db2.gz KOWPMHVDHRIWMS-RHSMWYFYSA-N 1 0 308.441 3.121 20 10 DGCDRO CC[N@H+](Cc1cc(Br)cc(OC)c1O)C(C)C ZINC000126349221 623792352 /nfs/dbraw/zinc/79/23/52/623792352.db2.gz DYBRVMBQWKBDMX-UHFFFAOYSA-N 1 0 302.212 3.394 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000877128380 623798570 /nfs/dbraw/zinc/79/85/70/623798570.db2.gz GOHRIUMDNUDBGV-ACJLOTCBSA-N 1 0 303.377 3.442 20 10 DGCDRO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877142600 623804588 /nfs/dbraw/zinc/80/45/88/623804588.db2.gz UCYXBXTZTHWAJA-GFCCVEGCSA-N 1 0 300.393 3.271 20 10 DGCDRO Cc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c(O)c1 ZINC000877398395 623868090 /nfs/dbraw/zinc/86/80/90/623868090.db2.gz GPOSMHUOMYXHPL-UHFFFAOYSA-N 1 0 312.413 3.016 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC34CCCC4)cc2)CC1 ZINC000877476414 623901106 /nfs/dbraw/zinc/90/11/06/623901106.db2.gz DCVWQKARJXZUTA-GOSISDBHSA-N 1 0 300.446 3.070 20 10 DGCDRO CCCN(Cc1cc(OC)cnc1F)c1ccc(C[NH3+])cc1 ZINC000877478818 623902005 /nfs/dbraw/zinc/90/20/05/623902005.db2.gz PQYILYRCOZRIEM-UHFFFAOYSA-N 1 0 303.381 3.105 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCC(CNC(C)=O)CC1 ZINC000877478216 623902078 /nfs/dbraw/zinc/90/20/78/623902078.db2.gz KTMAXRNYKFSJNN-UHFFFAOYSA-N 1 0 317.477 3.057 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)c(O)c1 ZINC000877493832 623910521 /nfs/dbraw/zinc/91/05/21/623910521.db2.gz PDDBSXZVMRTFKC-SCLBCKFNSA-N 1 0 301.386 3.267 20 10 DGCDRO CC1=C[C@@H](C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877494646 623910938 /nfs/dbraw/zinc/91/09/38/623910938.db2.gz RTYJXDGMSKHGML-OAHLLOKOSA-N 1 0 300.446 3.046 20 10 DGCDRO Cc1ccc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c(O)c1 ZINC000877518145 623920918 /nfs/dbraw/zinc/92/09/18/623920918.db2.gz SQQAJALFPSOWRD-UHFFFAOYSA-N 1 0 323.396 3.425 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000877524073 623923115 /nfs/dbraw/zinc/92/31/15/623923115.db2.gz QHLZJMGJFUYYQV-UHFFFAOYSA-N 1 0 302.418 3.248 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000877533442 623929040 /nfs/dbraw/zinc/92/90/40/623929040.db2.gz QVMJFALXEZQXFZ-HNNXBMFYSA-N 1 0 305.805 3.220 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(Cl)c2N)c1 ZINC000877533017 623929096 /nfs/dbraw/zinc/92/90/96/623929096.db2.gz JPELXAXVRPZIOZ-JTQLQIEISA-N 1 0 306.793 3.487 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC000877535482 623929924 /nfs/dbraw/zinc/92/99/24/623929924.db2.gz OGRYWSIJMZGQBQ-SFHVURJKSA-N 1 0 314.473 3.270 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC(C)(C)C1 ZINC000877584143 623951811 /nfs/dbraw/zinc/95/18/11/623951811.db2.gz CWFIEXXMXYLCRO-UHFFFAOYSA-N 1 0 302.462 3.268 20 10 DGCDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000877594566 623955700 /nfs/dbraw/zinc/95/57/00/623955700.db2.gz VGRHNYYHXOMJJL-OAGGEKHMSA-N 1 0 302.462 3.124 20 10 DGCDRO CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)OC ZINC000877598192 623956553 /nfs/dbraw/zinc/95/65/53/623956553.db2.gz KMCQUPYDTRLTEO-BXWFABGCSA-N 1 0 320.477 3.172 20 10 DGCDRO CC[C@H](C)[C@H](C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)OC ZINC000877598193 623956810 /nfs/dbraw/zinc/95/68/10/623956810.db2.gz KMCQUPYDTRLTEO-FCEWJHQRSA-N 1 0 320.477 3.172 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](CC(C)C)OC)C2)cc1 ZINC000877598006 623957176 /nfs/dbraw/zinc/95/71/76/623957176.db2.gz FZRBJYIDEDKQPC-VQIMIIECSA-N 1 0 320.477 3.172 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C)cc3O)C2)cc1 ZINC000877620062 623964991 /nfs/dbraw/zinc/96/49/91/623964991.db2.gz CVOYLKVBWPFMOY-INIZCTEOSA-N 1 0 312.413 3.078 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]CC3CCSCC3)C2)cc1 ZINC000877620990 623966296 /nfs/dbraw/zinc/96/62/96/623966296.db2.gz ORLKGPOJEQHJGL-OAHLLOKOSA-N 1 0 306.475 3.007 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CCCOC1 ZINC000780713249 623971006 /nfs/dbraw/zinc/97/10/06/623971006.db2.gz BJTIOAKPKQXCDL-RDJZCZTQSA-N 1 0 320.502 3.145 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCCOC1 ZINC000780713246 623971435 /nfs/dbraw/zinc/97/14/35/623971435.db2.gz BJTIOAKPKQXCDL-DOTOQJQBSA-N 1 0 320.502 3.145 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000877640082 623974539 /nfs/dbraw/zinc/97/45/39/623974539.db2.gz ULTHGZAXLRVKPY-RYUDHWBXSA-N 1 0 303.324 3.242 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000877660043 623980634 /nfs/dbraw/zinc/98/06/34/623980634.db2.gz HKUKVAVNHKXEOO-CYBMUJFWSA-N 1 0 308.422 3.046 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(O[C@@H]3CCOC3)cc1)C2 ZINC000877702547 623997269 /nfs/dbraw/zinc/99/72/69/623997269.db2.gz ATKHRIBKPCLFEE-QGZVFWFLSA-N 1 0 311.381 3.076 20 10 DGCDRO CCOP(=O)(CCC[N@@H+]1Cc2cccc(O)c2C1)OCC ZINC000877703074 623998474 /nfs/dbraw/zinc/99/84/74/623998474.db2.gz QAUBSKLBCGTNGN-UHFFFAOYSA-N 1 0 313.334 3.364 20 10 DGCDRO COC[C@@H](C)Oc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877702933 623998832 /nfs/dbraw/zinc/99/88/32/623998832.db2.gz KPUCISPWGNLJGV-CQSZACIVSA-N 1 0 313.397 3.322 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877735766 624008658 /nfs/dbraw/zinc/00/86/58/624008658.db2.gz GFYDGBSBIPTEDN-UHFFFAOYSA-N 1 0 313.401 3.422 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(Br)cn2)c1O ZINC000877734088 624008822 /nfs/dbraw/zinc/00/88/22/624008822.db2.gz IGKABTYCYUYFTG-UHFFFAOYSA-N 1 0 321.218 3.402 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1O ZINC000877756591 624023144 /nfs/dbraw/zinc/02/31/44/624023144.db2.gz WLASQORNFZNLHH-GFCCVEGCSA-N 1 0 316.367 3.460 20 10 DGCDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758414 624024045 /nfs/dbraw/zinc/02/40/45/624024045.db2.gz ZEFOTDIBLQVMCC-ZDUSSCGKSA-N 1 0 322.412 3.441 20 10 DGCDRO CCc1cccc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c1O ZINC000877762244 624025703 /nfs/dbraw/zinc/02/57/03/624025703.db2.gz DTYAMEMUYSXUEN-SFHVURJKSA-N 1 0 323.440 3.334 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000877811753 624043301 /nfs/dbraw/zinc/04/33/01/624043301.db2.gz VZEHJPFADSNVEN-OAHLLOKOSA-N 1 0 305.805 3.047 20 10 DGCDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000877818812 624050271 /nfs/dbraw/zinc/05/02/71/624050271.db2.gz PLMGPEBEYGEHLI-GFCCVEGCSA-N 1 0 311.809 3.211 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)c1O ZINC000877821161 624051908 /nfs/dbraw/zinc/05/19/08/624051908.db2.gz LFEQKDKXLYDYQF-ZDUSSCGKSA-N 1 0 303.324 3.108 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2nccnc2C)c1O ZINC000877828197 624059265 /nfs/dbraw/zinc/05/92/65/624059265.db2.gz HKVJMFPKPQHXRZ-JTQLQIEISA-N 1 0 307.781 3.003 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2nccnc2C)c1O ZINC000877828199 624059350 /nfs/dbraw/zinc/05/93/50/624059350.db2.gz HKVJMFPKPQHXRZ-SNVBAGLBSA-N 1 0 307.781 3.003 20 10 DGCDRO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000877827988 624059750 /nfs/dbraw/zinc/05/97/50/624059750.db2.gz BXHBVPKTNLKEAK-JTQLQIEISA-N 1 0 322.206 3.104 20 10 DGCDRO COCC[N@H+](Cc1cc(C(C)C)c(C)cc1O)[C@H]1CCOC1 ZINC000782964399 624296573 /nfs/dbraw/zinc/29/65/73/624296573.db2.gz VCIGTYSAHADTAJ-INIZCTEOSA-N 1 0 307.434 3.061 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(Br)cc1O ZINC000783309463 624337426 /nfs/dbraw/zinc/33/74/26/624337426.db2.gz JHLOJHRZLUHTQE-PWSUYJOCSA-N 1 0 312.207 3.498 20 10 DGCDRO C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccccc1O ZINC000783519093 624361300 /nfs/dbraw/zinc/36/13/00/624361300.db2.gz SYDDUEMEQLPOGA-CQSZACIVSA-N 1 0 316.445 3.224 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCc1ccc(F)c(F)c1F ZINC000784629065 624561711 /nfs/dbraw/zinc/56/17/11/624561711.db2.gz LWRUFLWTPLAMGB-UHFFFAOYSA-N 1 0 311.303 3.150 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1O ZINC000879648028 624621159 /nfs/dbraw/zinc/62/11/59/624621159.db2.gz WFZCLIXRWVWLAS-UONOGXRCSA-N 1 0 310.397 3.021 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1O ZINC000879649104 624622710 /nfs/dbraw/zinc/62/27/10/624622710.db2.gz IFGVGXHQCLTLMR-HUUCEWRRSA-N 1 0 318.461 3.328 20 10 DGCDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccccc1O ZINC000879650452 624624043 /nfs/dbraw/zinc/62/40/43/624624043.db2.gz AMGVNSHJOWKALF-VIFPVBQESA-N 1 0 313.266 3.257 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)Cc1ccccc1 ZINC000879652003 624624123 /nfs/dbraw/zinc/62/41/23/624624123.db2.gz SUBRVEJGMGVFDN-GJZGRUSLSA-N 1 0 312.413 3.090 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccccc1O ZINC000879651963 624624141 /nfs/dbraw/zinc/62/41/41/624624141.db2.gz RCRHSFVUAYXCAR-QWHCGFSZSA-N 1 0 321.804 3.136 20 10 DGCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2O)c(C)s1 ZINC000879651277 624624348 /nfs/dbraw/zinc/62/43/48/624624348.db2.gz PVLYZOFKWRYRHH-JTQLQIEISA-N 1 0 305.399 3.400 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1cccnc1Cl ZINC000879651113 624624669 /nfs/dbraw/zinc/62/46/69/624624669.db2.gz IVAAZCJIEBKTRI-QWRGUYRKSA-N 1 0 319.792 3.118 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC1CCC(C)CC1 ZINC000879652012 624624705 /nfs/dbraw/zinc/62/47/05/624624705.db2.gz TXJZJNACSMVBOR-RAFNIBEQSA-N 1 0 304.434 3.126 20 10 DGCDRO Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879652448 624626033 /nfs/dbraw/zinc/62/60/33/624626033.db2.gz DLBAELGFDIWWKH-HNNXBMFYSA-N 1 0 312.413 3.010 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1ccccc1O ZINC000879653757 624626846 /nfs/dbraw/zinc/62/68/46/624626846.db2.gz WFZCLIXRWVWLAS-KGLIPLIRSA-N 1 0 310.397 3.021 20 10 DGCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(C)CC3)cc2F)C[C@H](C)O1 ZINC000785427522 624664748 /nfs/dbraw/zinc/66/47/48/624664748.db2.gz ZCAQGUBGLOCGDX-OKILXGFUSA-N 1 0 306.425 3.329 20 10 DGCDRO C[C@H]1CN(c2ccc(C[NH2+]CC3(C)CC3)cc2F)C[C@H](C)O1 ZINC000785427521 624664945 /nfs/dbraw/zinc/66/49/45/624664945.db2.gz ZCAQGUBGLOCGDX-KBPBESRZSA-N 1 0 306.425 3.329 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC1(C)C ZINC000785433120 624666324 /nfs/dbraw/zinc/66/63/24/624666324.db2.gz DFSLZJWHSJVWRZ-CJNGLKHVSA-N 1 0 320.452 3.311 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC1(C)C ZINC000785437859 624666471 /nfs/dbraw/zinc/66/64/71/624666471.db2.gz ZWLIFBKKEIKCDT-KXBFYZLASA-N 1 0 316.489 3.420 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000785767096 624730299 /nfs/dbraw/zinc/73/02/99/624730299.db2.gz JOKMJARBMNSTTI-ZWKOTPCHSA-N 1 0 302.462 3.391 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O ZINC000785990245 624775262 /nfs/dbraw/zinc/77/52/62/624775262.db2.gz ZXSUXVHEJCUVAE-WDMOLILDSA-N 1 0 313.825 3.036 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccccc1O ZINC000786937941 624965793 /nfs/dbraw/zinc/96/57/93/624965793.db2.gz DBCUQZKOEVCYOP-MRXNPFEDSA-N 1 0 308.385 3.214 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)CC(F)(F)F)cc1 ZINC000787151681 624983686 /nfs/dbraw/zinc/98/36/86/624983686.db2.gz JIVKOUFLNCHYEO-HNNXBMFYSA-N 1 0 318.383 3.278 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787330870 625001655 /nfs/dbraw/zinc/00/16/55/625001655.db2.gz FKUYJLNTRRHOFW-OAHLLOKOSA-N 1 0 313.731 3.147 20 10 DGCDRO COC1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CCCC1 ZINC000790949017 625719963 /nfs/dbraw/zinc/71/99/63/625719963.db2.gz OESUZDSZHZBXKI-UHFFFAOYSA-N 1 0 320.502 3.289 20 10 DGCDRO C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C[NH+]1CCCCC1 ZINC000790947912 625721216 /nfs/dbraw/zinc/72/12/16/625721216.db2.gz CQIDJRUTHBELAK-LBPRGKRZSA-N 1 0 314.832 3.396 20 10 DGCDRO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1c(O)cccc1Cl)CC2 ZINC000790996761 625733935 /nfs/dbraw/zinc/73/39/35/625733935.db2.gz ZPEBGGNTUCMIMX-ZDUSSCGKSA-N 1 0 319.836 3.470 20 10 DGCDRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000129874679 625791784 /nfs/dbraw/zinc/79/17/84/625791784.db2.gz KOJZDKJTFGRSJL-MRXNPFEDSA-N 1 0 317.477 3.244 20 10 DGCDRO C[NH+](C)Cc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000882884180 625845145 /nfs/dbraw/zinc/84/51/45/625845145.db2.gz ZFJOFANCCLFLBI-UHFFFAOYSA-N 1 0 306.356 3.022 20 10 DGCDRO CN1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@H]1c1ccccc1 ZINC000883077303 625918406 /nfs/dbraw/zinc/91/84/06/625918406.db2.gz FOCHUTZDJPVNJB-IAGOWNOFSA-N 1 0 318.367 3.205 20 10 DGCDRO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000792181842 625921267 /nfs/dbraw/zinc/92/12/67/625921267.db2.gz VBTKPPPTPRPMFH-UHFFFAOYSA-N 1 0 322.452 3.390 20 10 DGCDRO CCOc1ccc(C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)c(O)c1 ZINC000792192992 625922713 /nfs/dbraw/zinc/92/27/13/625922713.db2.gz PGBPNIHGGHHJQR-HOCLYGCPSA-N 1 0 307.434 3.428 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000131165724 625958598 /nfs/dbraw/zinc/95/85/98/625958598.db2.gz OCLUALDBOSNEFW-AWEZNQCLSA-N 1 0 308.853 3.353 20 10 DGCDRO CC(C)(CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796300271 626036567 /nfs/dbraw/zinc/03/65/67/626036567.db2.gz UETAGYMKTDSTBU-UHFFFAOYSA-N 1 0 310.441 3.110 20 10 DGCDRO CC(C)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796308343 626037629 /nfs/dbraw/zinc/03/76/29/626037629.db2.gz GFGSBBXIZWIDPW-OAQYLSRUSA-N 1 0 324.468 3.356 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(CC)cc2)c(O)c1 ZINC000796452473 626051438 /nfs/dbraw/zinc/05/14/38/626051438.db2.gz VEAHGMKZSMRQKB-LJQANCHMSA-N 1 0 315.413 3.177 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccc(CC)cc2)c1 ZINC000796451874 626051498 /nfs/dbraw/zinc/05/14/98/626051498.db2.gz PWYSHDMJSNRDGQ-LJQANCHMSA-N 1 0 315.413 3.177 20 10 DGCDRO COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000796739312 626077979 /nfs/dbraw/zinc/07/79/79/626077979.db2.gz QRRKEHGKPAOHKT-NSHDSACASA-N 1 0 317.410 3.320 20 10 DGCDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000797063262 626109752 /nfs/dbraw/zinc/10/97/52/626109752.db2.gz AWIFBLGOGRXKME-WWGRRREGSA-N 1 0 324.465 3.064 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000797418759 626141517 /nfs/dbraw/zinc/14/15/17/626141517.db2.gz VQGYCCGUBOSNMC-JTDSTZFVSA-N 1 0 319.445 3.167 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000798491539 626220296 /nfs/dbraw/zinc/22/02/96/626220296.db2.gz AORPQRUTOFJVSI-RCCFBDPRSA-N 1 0 302.462 3.438 20 10 DGCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000798493029 626220720 /nfs/dbraw/zinc/22/07/20/626220720.db2.gz JQDFBFWTWGTPLT-UHFFFAOYSA-N 1 0 300.450 3.437 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC000798963654 626263765 /nfs/dbraw/zinc/26/37/65/626263765.db2.gz IIXDGEZXWCZTNT-LBPRGKRZSA-N 1 0 318.804 3.439 20 10 DGCDRO CCCN(Cc1cc(C(F)(F)F)n[nH]1)c1ccc(C[NH3+])cc1 ZINC000799735575 626326448 /nfs/dbraw/zinc/32/64/48/626326448.db2.gz ZJHZEYNMYJNZII-UHFFFAOYSA-N 1 0 312.339 3.304 20 10 DGCDRO CC[C@H]([NH2+]Cc1cnn(CCOC)c1)c1cc(Cl)ccc1O ZINC000800495084 626364958 /nfs/dbraw/zinc/36/49/58/626364958.db2.gz KNYNZWQARZDWTC-HNNXBMFYSA-N 1 0 323.824 3.129 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCc3cc(F)cc(C)c3C2)c1 ZINC000800537000 626366809 /nfs/dbraw/zinc/36/68/09/626366809.db2.gz XGMBLRBXVGZASI-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808699078 626372057 /nfs/dbraw/zinc/37/20/57/626372057.db2.gz RUPPEZVXRMFNNO-ZYHUDNBSSA-N 1 0 303.855 3.119 20 10 DGCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C2CCCCCC2)cc1 ZINC000800746073 626373436 /nfs/dbraw/zinc/37/34/36/626373436.db2.gz LNSBBGAAKCRPOK-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000800858368 626379789 /nfs/dbraw/zinc/37/97/89/626379789.db2.gz MAOKPTVAYYGWEF-OAHLLOKOSA-N 1 0 322.412 3.054 20 10 DGCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000800897475 626383965 /nfs/dbraw/zinc/38/39/65/626383965.db2.gz ZEKXGIGZVCAYIW-LJQANCHMSA-N 1 0 316.420 3.332 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000800987150 626388457 /nfs/dbraw/zinc/38/84/57/626388457.db2.gz QUTLMRDAVWQYHE-ZFWWWQNUSA-N 1 0 313.397 3.445 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000801732835 626416511 /nfs/dbraw/zinc/41/65/11/626416511.db2.gz YTOIESKLKOLEHW-QDMKHBRRSA-N 1 0 307.434 3.474 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2C=CCC2)c1O ZINC000883238614 626619476 /nfs/dbraw/zinc/61/94/76/626619476.db2.gz IATWAPCZEFEGSW-SNVBAGLBSA-N 1 0 312.207 3.219 20 10 DGCDRO C=C/C=C\CC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000883261315 626627292 /nfs/dbraw/zinc/62/72/92/626627292.db2.gz YGGJXTPXRCAYIM-PLNGDYQASA-N 1 0 312.207 3.385 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2C[C@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC000883262146 626628207 /nfs/dbraw/zinc/62/82/07/626628207.db2.gz YBMIIWTYKIXZMR-MQMHXKEQSA-N 1 0 307.434 3.213 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000883263376 626628698 /nfs/dbraw/zinc/62/86/98/626628698.db2.gz QYUOVTOINKLNMH-HZPDHXFCSA-N 1 0 319.445 3.327 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(N(C)C)cc1 ZINC000883278069 626634236 /nfs/dbraw/zinc/63/42/36/626634236.db2.gz LJINUPAKUBKWSB-QFBILLFUSA-N 1 0 316.445 3.238 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccc(C)nc2Cl)c(O)c1 ZINC000883291561 626638020 /nfs/dbraw/zinc/63/80/20/626638020.db2.gz JVXKGVYOLADRON-UHFFFAOYSA-N 1 0 306.793 3.438 20 10 DGCDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000806169820 626704281 /nfs/dbraw/zinc/70/42/81/626704281.db2.gz RIJBKTBYGAJJID-MNOVXSKESA-N 1 0 316.239 3.070 20 10 DGCDRO CSCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132595920 626728521 /nfs/dbraw/zinc/72/85/21/626728521.db2.gz XGOVOPCCCAORNP-CYBMUJFWSA-N 1 0 312.454 3.066 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)CCC2 ZINC000840118730 626770398 /nfs/dbraw/zinc/77/03/98/626770398.db2.gz ZSHYCFPTTYLNJP-IPMKNSEASA-N 1 0 315.457 3.396 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)CCCC2 ZINC000840119979 626772055 /nfs/dbraw/zinc/77/20/55/626772055.db2.gz JVMIQAZNJDEKMW-QRVBRYPASA-N 1 0 315.457 3.396 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1C ZINC000840122434 626774596 /nfs/dbraw/zinc/77/45/96/626774596.db2.gz DBUFXZRWMOELNA-WBMJQRKESA-N 1 0 307.434 3.252 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1O ZINC000808679317 626848730 /nfs/dbraw/zinc/84/87/30/626848730.db2.gz KSFNYWHHWBNIRS-VXGBXAGGSA-N 1 0 310.825 3.016 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)c1O ZINC000808683406 626849293 /nfs/dbraw/zinc/84/92/93/626849293.db2.gz FPUCSVFKHVHZOW-NWDGAFQWSA-N 1 0 305.809 3.426 20 10 DGCDRO CNC(=O)C1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808684489 626849539 /nfs/dbraw/zinc/84/95/39/626849539.db2.gz PCCMOOGNRPHHJJ-LKSINWNRSA-N 1 0 324.852 3.309 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)Cc2cnccn2)c1O ZINC000808683408 626849557 /nfs/dbraw/zinc/84/95/57/626849557.db2.gz FPUCSVFKHVHZOW-RYUDHWBXSA-N 1 0 305.809 3.426 20 10 DGCDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808697805 626850623 /nfs/dbraw/zinc/85/06/23/626850623.db2.gz WATORWZNKLSGCU-GBIKHYSHSA-N 1 0 303.855 3.117 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1O ZINC000808717175 626853130 /nfs/dbraw/zinc/85/31/30/626853130.db2.gz ATYFXBJVALOUQN-GXTWGEPZSA-N 1 0 320.820 3.176 20 10 DGCDRO CC(C)(C)[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000808735835 626856313 /nfs/dbraw/zinc/85/63/13/626856313.db2.gz CDXKOIYNOOCWPW-KRWDZBQOSA-N 1 0 303.402 3.394 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1[O-] ZINC000134437610 626876736 /nfs/dbraw/zinc/87/67/36/626876736.db2.gz QNIMVNWJHKRQDY-CQSZACIVSA-N 1 0 313.825 3.087 20 10 DGCDRO CS[C@H]1CCCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000134564038 626881890 /nfs/dbraw/zinc/88/18/90/626881890.db2.gz NYVHCYBSJJHUCQ-AWEZNQCLSA-N 1 0 311.422 3.451 20 10 DGCDRO CC[N@H+](CCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809538475 626917424 /nfs/dbraw/zinc/91/74/24/626917424.db2.gz MXPILSAGRPGBSV-UHFFFAOYSA-N 1 0 310.441 3.064 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCOC1 ZINC000809566840 626920471 /nfs/dbraw/zinc/92/04/71/626920471.db2.gz UBKUFPSSXUPYPS-FQEVSTJZSA-N 1 0 322.452 3.470 20 10 DGCDRO C[C@@H](O)CC[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809578776 626922442 /nfs/dbraw/zinc/92/24/42/626922442.db2.gz QMVPGHJYEGPZPZ-QGZVFWFLSA-N 1 0 324.468 3.452 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000809693015 626937188 /nfs/dbraw/zinc/93/71/88/626937188.db2.gz LWUGIBXFNIDULH-CQSZACIVSA-N 1 0 316.367 3.382 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1 ZINC000809700560 626938717 /nfs/dbraw/zinc/93/87/17/626938717.db2.gz JCHCAWHNDHMRSM-HOCLYGCPSA-N 1 0 307.434 3.306 20 10 DGCDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809701401 626938792 /nfs/dbraw/zinc/93/87/92/626938792.db2.gz XMGSSYZFWYQRKE-GOEBONIOSA-N 1 0 308.441 3.407 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c(O)c1 ZINC000809700707 626938906 /nfs/dbraw/zinc/93/89/06/626938906.db2.gz MWNAIOJHIWETMY-HOCLYGCPSA-N 1 0 307.434 3.306 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC2(C(F)(F)F)CC2)c1O ZINC000809706417 626939225 /nfs/dbraw/zinc/93/92/25/626939225.db2.gz XYDVBCZKESUHEY-UHFFFAOYSA-N 1 0 309.715 3.486 20 10 DGCDRO CCCn1cc(C[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000809713157 626940179 /nfs/dbraw/zinc/94/01/79/626940179.db2.gz KFICTHLXSKNGFC-UHFFFAOYSA-N 1 0 324.222 3.051 20 10 DGCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000809724871 626941826 /nfs/dbraw/zinc/94/18/26/626941826.db2.gz CKMYXOAWRXWWLH-MRXNPFEDSA-N 1 0 320.433 3.191 20 10 DGCDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000809723333 626942100 /nfs/dbraw/zinc/94/21/00/626942100.db2.gz HALKAMFIDFMLLN-MRXNPFEDSA-N 1 0 320.433 3.143 20 10 DGCDRO C[NH+](C)CCN(Cc1ccccn1)Cc1c(O)cccc1Cl ZINC000809741961 626944949 /nfs/dbraw/zinc/94/49/49/626944949.db2.gz DAEVSONPOBHYGB-UHFFFAOYSA-N 1 0 319.836 3.004 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758537 626947923 /nfs/dbraw/zinc/94/79/23/626947923.db2.gz PJIYNRGKYJAHJC-HUUCEWRRSA-N 1 0 305.418 3.039 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)cc1 ZINC000809765256 626949232 /nfs/dbraw/zinc/94/92/32/626949232.db2.gz NFCBPMJKIMVQMM-INIZCTEOSA-N 1 0 317.477 3.023 20 10 DGCDRO C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767725 626950402 /nfs/dbraw/zinc/95/04/02/626950402.db2.gz SBDLNVKUHMTCTE-XHDPSFHLSA-N 1 0 312.816 3.101 20 10 DGCDRO CN(C)c1ccc(OCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000810002496 626967549 /nfs/dbraw/zinc/96/75/49/626967549.db2.gz YVUDTLMNTIGZRM-UHFFFAOYSA-N 1 0 302.393 3.403 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2COc3c(C)cccc3C2)c1O ZINC000810178206 626985277 /nfs/dbraw/zinc/98/52/77/626985277.db2.gz LGYLAJUAQPGSKM-INIZCTEOSA-N 1 0 313.397 3.193 20 10 DGCDRO CC[C@H]([NH2+]CCn1ccnc1)c1ccc(C(F)(F)F)cc1O ZINC000810207397 626988229 /nfs/dbraw/zinc/98/82/29/626988229.db2.gz HSTOAVSLWYBBMZ-ZDUSSCGKSA-N 1 0 313.323 3.348 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810219974 626989652 /nfs/dbraw/zinc/98/96/52/626989652.db2.gz YYVMCDOHWBJIAN-OCCSQVGLSA-N 1 0 305.340 3.469 20 10 DGCDRO CC[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(C(F)(F)F)cc1O ZINC000810229111 626990268 /nfs/dbraw/zinc/99/02/68/626990268.db2.gz SGTFMBVWXDKWHC-GFCCVEGCSA-N 1 0 319.323 3.215 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)C[S@@](C)=O)c1ccc(C(F)(F)F)cc1O ZINC000810234469 626990978 /nfs/dbraw/zinc/99/09/78/626990978.db2.gz DKGCDIQLSVNZKL-BJWRNBNPSA-N 1 0 323.380 3.219 20 10 DGCDRO COCC[C@H](COC)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000810257735 626993831 /nfs/dbraw/zinc/99/38/31/626993831.db2.gz UYDTWHWVKAAAID-DGCLKSJQSA-N 1 0 301.814 3.056 20 10 DGCDRO COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000810257207 626993953 /nfs/dbraw/zinc/99/39/53/626993953.db2.gz NEUPWFWMMJWOKW-AEFFLSMTSA-N 1 0 320.477 3.379 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2C[C@@]23CCOC3)cc1 ZINC000885940446 627065367 /nfs/dbraw/zinc/06/53/67/627065367.db2.gz JQTKFQZTZMLXTE-IEBWSBKVSA-N 1 0 302.462 3.391 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3cc(C)co3)CC2)cc1 ZINC000885962695 627071589 /nfs/dbraw/zinc/07/15/89/627071589.db2.gz DTTKTWZFVYTDDI-UHFFFAOYSA-N 1 0 300.402 3.355 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(C)co3)C2)cc1 ZINC000886149099 627112814 /nfs/dbraw/zinc/11/28/14/627112814.db2.gz GERRSOIQEUPDCN-HNNXBMFYSA-N 1 0 300.402 3.213 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)ccc1OC ZINC000886289239 627132458 /nfs/dbraw/zinc/13/24/58/627132458.db2.gz QUDQRLNTFHKIMM-KRWDZBQOSA-N 1 0 319.445 3.281 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c1 ZINC000886318370 627136346 /nfs/dbraw/zinc/13/63/46/627136346.db2.gz RGPXFXQPWHZPEP-MRXNPFEDSA-N 1 0 305.418 3.230 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2F)c(O)c1 ZINC000886674670 627186877 /nfs/dbraw/zinc/18/68/77/627186877.db2.gz PCOWLWVUEZAESV-ZFWWWQNUSA-N 1 0 303.377 3.094 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H]1CCCOC1 ZINC000886788741 627204543 /nfs/dbraw/zinc/20/45/43/627204543.db2.gz HZJJHGJHRATDOQ-OSRDXIQISA-N 1 0 323.408 3.111 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)cc1 ZINC000811520060 627286874 /nfs/dbraw/zinc/28/68/74/627286874.db2.gz JBQUVJMGJYASRL-IBGZPJMESA-N 1 0 312.461 3.485 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000811518812 627287435 /nfs/dbraw/zinc/28/74/35/627287435.db2.gz PEXSFYIWAVMKQO-QZTJIDSGSA-N 1 0 317.429 3.324 20 10 DGCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccncc32)[C@@H]1[C@H]1CCCO1 ZINC000811776215 627320178 /nfs/dbraw/zinc/32/01/78/627320178.db2.gz LHYWBKQGNGBFRA-QZTJIDSGSA-N 1 0 312.413 3.330 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811790538 627322753 /nfs/dbraw/zinc/32/27/53/627322753.db2.gz NCQJNAGBMYWQPW-RTBURBONSA-N 1 0 324.424 3.474 20 10 DGCDRO CCc1cc(NCCc2ccc(O)c(O)c2)c2ccccc2[nH+]1 ZINC000811811607 627324626 /nfs/dbraw/zinc/32/46/26/627324626.db2.gz YMVZVNDIQDJWOB-UHFFFAOYSA-N 1 0 308.381 3.285 20 10 DGCDRO CC(C)[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCOC1 ZINC000812292324 627368077 /nfs/dbraw/zinc/36/80/77/627368077.db2.gz RTXMFVMIRMSTKN-HNNXBMFYSA-N 1 0 307.434 3.395 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@](C)(OC)C3CC3)CC2)cc1 ZINC000812735059 627413918 /nfs/dbraw/zinc/41/39/18/627413918.db2.gz VKYNVLFKUMXWPV-IBGZPJMESA-N 1 0 318.461 3.069 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1F ZINC000814178139 627547391 /nfs/dbraw/zinc/54/73/91/627547391.db2.gz DFXSKQGDHWEHEQ-IBGZPJMESA-N 1 0 319.468 3.200 20 10 DGCDRO Cc1cc(CN2CCC[C@H]2C[NH+]2CCCC2)ccc1N(C)C ZINC000815033707 627618431 /nfs/dbraw/zinc/61/84/31/627618431.db2.gz QIRYKIDPQOJKDC-SFHVURJKSA-N 1 0 301.478 3.121 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000815082534 627623423 /nfs/dbraw/zinc/62/34/23/627623423.db2.gz WSTGIJDLLDTJQJ-HPFXQQBRSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000815082533 627624013 /nfs/dbraw/zinc/62/40/13/627624013.db2.gz WSTGIJDLLDTJQJ-DFGXFYAUSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000815093052 627626375 /nfs/dbraw/zinc/62/63/75/627626375.db2.gz AFRJUALTGBCQBN-KUHUBIRLSA-N 1 0 316.420 3.146 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)cc1F ZINC000815159300 627639275 /nfs/dbraw/zinc/63/92/75/627639275.db2.gz PXOFOTGSFIZENF-KSSFIOAISA-N 1 0 308.441 3.313 20 10 DGCDRO CCON1CCC([NH2+]Cc2ccc(N(CC)CC)cc2)CC1 ZINC000924711245 627671192 /nfs/dbraw/zinc/67/11/92/627671192.db2.gz RXIFWGHRMFDXAU-UHFFFAOYSA-N 1 0 305.466 3.038 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccn2)c(O)c1 ZINC000815569506 627685728 /nfs/dbraw/zinc/68/57/28/627685728.db2.gz WTHDNOZCQLFYBT-CQSZACIVSA-N 1 0 313.401 3.083 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCOC[C@H]2CCOC2)c(O)c1 ZINC000815582255 627688001 /nfs/dbraw/zinc/68/80/01/627688001.db2.gz BDLRYPPQFJWQND-HZPDHXFCSA-N 1 0 307.434 3.103 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccnn1CC1CCC1 ZINC000924901653 627692178 /nfs/dbraw/zinc/69/21/78/627692178.db2.gz SQQFMNUJNAKQHT-AWEZNQCLSA-N 1 0 311.429 3.469 20 10 DGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000816515146 627800289 /nfs/dbraw/zinc/80/02/89/627800289.db2.gz QTDQMNAASIYZEI-WCQYABFASA-N 1 0 314.832 3.489 20 10 DGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000816514723 627800349 /nfs/dbraw/zinc/80/03/49/627800349.db2.gz FXVVOTZUBYVTHP-ABAIWWIYSA-N 1 0 314.832 3.347 20 10 DGCDRO Oc1c(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)ccc2ccccc21 ZINC000816539239 627804229 /nfs/dbraw/zinc/80/42/29/627804229.db2.gz XTGUQOHPTLEITQ-RBUKOAKNSA-N 1 0 305.377 3.293 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816535637 627804486 /nfs/dbraw/zinc/80/44/86/627804486.db2.gz VJVIUYUAOREPBL-UHFFFAOYSA-N 1 0 314.429 3.284 20 10 DGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000816542975 627804993 /nfs/dbraw/zinc/80/49/93/627804993.db2.gz JIRRQBWNHLNKNA-OAHLLOKOSA-N 1 0 310.441 3.495 20 10 DGCDRO Oc1c(C[NH2+]CCCOC2CCOCC2)ccc2ccccc21 ZINC000816552393 627805499 /nfs/dbraw/zinc/80/54/99/627805499.db2.gz KQFVFXPTVBOTOG-UHFFFAOYSA-N 1 0 315.413 3.221 20 10 DGCDRO COCCCOCC[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816565702 627809371 /nfs/dbraw/zinc/80/93/71/627809371.db2.gz YYMVHYDHMLTYRL-UHFFFAOYSA-N 1 0 303.402 3.030 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000925879465 627811293 /nfs/dbraw/zinc/81/12/93/627811293.db2.gz FIBKHJKHIWEJPE-AEJSXWLSSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816587771 627811727 /nfs/dbraw/zinc/81/17/27/627811727.db2.gz VXGKGHUKQBSKSJ-RULNRJAQSA-N 1 0 301.789 3.166 20 10 DGCDRO COCc1nc(C[NH2+]Cc2ccc3ccccc3c2O)cs1 ZINC000816615409 627815162 /nfs/dbraw/zinc/81/51/62/627815162.db2.gz VTRPVDSONHTRLG-UHFFFAOYSA-N 1 0 314.410 3.438 20 10 DGCDRO C[N@@H+]1CCN(Cc2cc(Cl)ccc2O)c2ccccc2C1 ZINC000816617781 627815607 /nfs/dbraw/zinc/81/56/07/627815607.db2.gz IPHWVGUQXNXEFO-UHFFFAOYSA-N 1 0 302.805 3.498 20 10 DGCDRO C[N@@H+]1CCN(Cc2cccc(Cl)c2O)c2ccccc2C1 ZINC000816618124 627815628 /nfs/dbraw/zinc/81/56/28/627815628.db2.gz PILUMDSNAKGEOV-UHFFFAOYSA-N 1 0 302.805 3.498 20 10 DGCDRO OCC1(c2ccccc2)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000816625075 627816430 /nfs/dbraw/zinc/81/64/30/627816430.db2.gz QGTYVPWDODIFHS-UHFFFAOYSA-N 1 0 315.388 3.057 20 10 DGCDRO Oc1c(C[NH+]2CCC3(CC2)OCCCO3)ccc2ccccc21 ZINC000816645356 627819047 /nfs/dbraw/zinc/81/90/47/627819047.db2.gz RUXOMGZEQKJKDN-UHFFFAOYSA-N 1 0 313.397 3.274 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c(O)c1 ZINC000816667905 627823838 /nfs/dbraw/zinc/82/38/38/627823838.db2.gz ZIQCXVOLHMUEIO-INIZCTEOSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cc(C)nc(C)c2)c1O ZINC000817411629 627895641 /nfs/dbraw/zinc/89/56/41/627895641.db2.gz STZOKZSNPBRIQT-UHFFFAOYSA-N 1 0 306.793 3.356 20 10 DGCDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817412700 627895935 /nfs/dbraw/zinc/89/59/35/627895935.db2.gz OIORRRGJWHCWBS-AEFFLSMTSA-N 1 0 302.462 3.127 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)cc1F ZINC000817412342 627896325 /nfs/dbraw/zinc/89/63/25/627896325.db2.gz IYJVKHKKRYYZIH-GOEBONIOSA-N 1 0 308.441 3.122 20 10 DGCDRO COc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)on1 ZINC000926595218 627920088 /nfs/dbraw/zinc/92/00/88/627920088.db2.gz HHTMVBXPGSIQKY-UONOGXRCSA-N 1 0 317.433 3.339 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C3(Cl)CC3)C2)cc1 ZINC000926610915 627921173 /nfs/dbraw/zinc/92/11/73/627921173.db2.gz GZCLWLVDHITRJH-ZIAGYGMSSA-N 1 0 308.853 3.271 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cccnc3CC2)cc1F ZINC000817575622 627923529 /nfs/dbraw/zinc/92/35/29/627923529.db2.gz YUMZCEHYHRXPLP-MRXNPFEDSA-N 1 0 313.420 3.324 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000817587452 627926911 /nfs/dbraw/zinc/92/69/11/627926911.db2.gz XLISMMBIVIAMQV-AVGNSLFASA-N 1 0 324.852 3.296 20 10 DGCDRO COC1([C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CCOCC1 ZINC000817587698 627927556 /nfs/dbraw/zinc/92/75/56/627927556.db2.gz HISIRIFOKMWFQI-MBNYWOFBSA-N 1 0 323.408 3.253 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4C=C[C@@H]3CC4)cc2)CC1 ZINC000926725803 627940787 /nfs/dbraw/zinc/94/07/87/627940787.db2.gz USHDTCLAQIPLDI-XAUMDUMWSA-N 1 0 312.457 3.092 20 10 DGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1 ZINC000817938565 627966886 /nfs/dbraw/zinc/96/68/86/627966886.db2.gz NGKWQHKPIXQQLN-KZULUSFZSA-N 1 0 319.399 3.381 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817939117 627967230 /nfs/dbraw/zinc/96/72/30/627967230.db2.gz ZEZGXRIWUUKZNH-CJNGLKHVSA-N 1 0 303.475 3.473 20 10 DGCDRO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817940076 627967728 /nfs/dbraw/zinc/96/77/28/627967728.db2.gz DDSGCTXGUGVHHZ-WMZOPIPTSA-N 1 0 301.478 3.470 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC23CCCC3)cc1 ZINC000817943310 627969408 /nfs/dbraw/zinc/96/94/08/627969408.db2.gz UGXQBZACARFFNA-QZTJIDSGSA-N 1 0 301.478 3.455 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](N)c2ccccc2)c2c1c(F)ccc2O ZINC000817954045 627973066 /nfs/dbraw/zinc/97/30/66/627973066.db2.gz AQXNPEUONVZDKW-BYCMXARLSA-N 1 0 300.377 3.369 20 10 DGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)NC[C@@H]1CCC[NH2+]1 ZINC000817953270 627973690 /nfs/dbraw/zinc/97/36/90/627973690.db2.gz YFJIBWMYPBAFSJ-PKOBYXMFSA-N 1 0 310.441 3.408 20 10 DGCDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000817955612 627973838 /nfs/dbraw/zinc/97/38/38/627973838.db2.gz CQVZQTMKBXXXNY-ZDUSSCGKSA-N 1 0 300.402 3.179 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000817956408 627974001 /nfs/dbraw/zinc/97/40/01/627974001.db2.gz YJFBIHYYNRGBKH-CYBMUJFWSA-N 1 0 323.440 3.392 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000817956409 627974137 /nfs/dbraw/zinc/97/41/37/627974137.db2.gz YJFBIHYYNRGBKH-ZDUSSCGKSA-N 1 0 323.440 3.392 20 10 DGCDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817956710 627974191 /nfs/dbraw/zinc/97/41/91/627974191.db2.gz BAJCFNUKXRFDJB-INIZCTEOSA-N 1 0 300.377 3.236 20 10 DGCDRO Nc1ccc(CC[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000817955768 627974281 /nfs/dbraw/zinc/97/42/81/627974281.db2.gz HJLRMBPCGFNBLY-KRWDZBQOSA-N 1 0 300.377 3.454 20 10 DGCDRO CCCC[C@@H](CN)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817961680 627975788 /nfs/dbraw/zinc/97/57/88/627975788.db2.gz CGVNXSPYRLWYEF-JQWIXIFHSA-N 1 0 315.255 3.323 20 10 DGCDRO COc1ccc(O)c([C@H](C)NCC[NH2+]C2CCCCCC2)c1 ZINC000817961271 627975887 /nfs/dbraw/zinc/97/58/87/627975887.db2.gz ZWCQQYSAGRBVJM-AWEZNQCLSA-N 1 0 306.450 3.364 20 10 DGCDRO C[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817959865 627975900 /nfs/dbraw/zinc/97/59/00/627975900.db2.gz JSBXDQTZNBWJAZ-HNAYVOBHSA-N 1 0 301.478 3.455 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817959861 627976133 /nfs/dbraw/zinc/97/61/33/627976133.db2.gz JSBXDQTZNBWJAZ-BEFAXECRSA-N 1 0 301.478 3.455 20 10 DGCDRO C[C@H](NC[C@H]([NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965479 627977838 /nfs/dbraw/zinc/97/78/38/627977838.db2.gz RKRBWKBORRVFBD-KXBFYZLASA-N 1 0 301.478 3.455 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972049 627980213 /nfs/dbraw/zinc/98/02/13/627980213.db2.gz SREHQZPIAIMDDI-UTLUCORTSA-N 1 0 303.233 3.490 20 10 DGCDRO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCCCC2)cc1 ZINC000817979819 627981647 /nfs/dbraw/zinc/98/16/47/627981647.db2.gz OVHAJPUYLDNADJ-WMLDXEAASA-N 1 0 323.431 3.325 20 10 DGCDRO CC[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Cl)ccc1O ZINC000927002696 627995450 /nfs/dbraw/zinc/99/54/50/627995450.db2.gz XUUROTKKUSLESP-AWEZNQCLSA-N 1 0 311.809 3.239 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cccnc3)C2)cc1 ZINC000818115859 627997209 /nfs/dbraw/zinc/99/72/09/627997209.db2.gz CZULBNRESWDNJR-HOTGVXAUSA-N 1 0 311.429 3.267 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c(O)c1C ZINC000927012949 627997483 /nfs/dbraw/zinc/99/74/83/627997483.db2.gz HXSIYBVSTVZUPB-JKSUJKDBSA-N 1 0 319.445 3.388 20 10 DGCDRO [NH3+][C@@H](CCC(=O)NCc1ccccc1O)CC1CCCCC1 ZINC000818212810 628005330 /nfs/dbraw/zinc/00/53/30/628005330.db2.gz BVGZOWYBAVMXJO-INIZCTEOSA-N 1 0 304.434 3.086 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccsc3)C2)cc1 ZINC000818220550 628005838 /nfs/dbraw/zinc/00/58/38/628005838.db2.gz LROYTWCUDWFWMX-CQSZACIVSA-N 1 0 302.443 3.373 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccoc3C)C2)cc1 ZINC000818221046 628006525 /nfs/dbraw/zinc/00/65/25/628006525.db2.gz KTQSUVGTVMOZOD-HNNXBMFYSA-N 1 0 300.402 3.213 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1O ZINC000927069701 628007648 /nfs/dbraw/zinc/00/76/48/628007648.db2.gz ZVUHUHAYGOCKIO-MLGOLLRUSA-N 1 0 303.406 3.182 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@@]3(C)CCCO3)C2)cc1 ZINC000818343182 628015564 /nfs/dbraw/zinc/01/55/64/628015564.db2.gz ZBKAGAATRISUCD-GPMSIDNRSA-N 1 0 318.461 3.069 20 10 DGCDRO COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818345242 628016362 /nfs/dbraw/zinc/01/63/62/628016362.db2.gz SKNWILWCOVQIEH-DLBZAZTESA-N 1 0 320.477 3.172 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(N2CCCCCC2)cc1 ZINC000927151100 628026643 /nfs/dbraw/zinc/02/66/43/628026643.db2.gz CJQWZLNEODACKC-JFIYKMOQSA-N 1 0 302.462 3.489 20 10 DGCDRO O[C@H](CCc1ccccc1)C[NH2+]CCCSc1nccs1 ZINC000819062170 628085183 /nfs/dbraw/zinc/08/51/83/628085183.db2.gz BXKODBUKMJRCKR-OAHLLOKOSA-N 1 0 322.499 3.209 20 10 DGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)cc1 ZINC000819094716 628091158 /nfs/dbraw/zinc/09/11/58/628091158.db2.gz KMRYYVMAVRGOCK-FQEVSTJZSA-N 1 0 308.425 3.194 20 10 DGCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819291194 628128185 /nfs/dbraw/zinc/12/81/85/628128185.db2.gz RAYYDUOFQLCQDL-UKRRQHHQSA-N 1 0 310.869 3.437 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1 ZINC000822498556 628458349 /nfs/dbraw/zinc/45/83/49/628458349.db2.gz ZYXQWEPZQGBZGR-UHFFFAOYSA-N 1 0 323.433 3.248 20 10 DGCDRO COc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1O ZINC000822529348 628462115 /nfs/dbraw/zinc/46/21/15/628462115.db2.gz DADFVFREKVMVPL-SFHVURJKSA-N 1 0 317.429 3.182 20 10 DGCDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000823671335 628585548 /nfs/dbraw/zinc/58/55/48/628585548.db2.gz LYPKFUZZYFEOLF-OAHLLOKOSA-N 1 0 306.425 3.331 20 10 DGCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824272022 628645886 /nfs/dbraw/zinc/64/58/86/628645886.db2.gz PPWGOUOQCLGXJN-RHSMWYFYSA-N 1 0 316.470 3.340 20 10 DGCDRO CC[N@H+](Cc1c(C2CC2)cnn1C)Cc1ccc(N(C)C)cc1 ZINC000824484801 628665010 /nfs/dbraw/zinc/66/50/10/628665010.db2.gz VBTHSOQLQSVQTB-UHFFFAOYSA-N 1 0 312.461 3.386 20 10 DGCDRO Cc1cc(O)c(C[N@H+](CCO)Cc2ccccc2)cc1Cl ZINC000824484492 628665019 /nfs/dbraw/zinc/66/50/19/628665019.db2.gz KBCZHMJFHYWFHU-UHFFFAOYSA-N 1 0 305.805 3.349 20 10 DGCDRO Fc1cc(C[NH2+]CC2=CCCCC2)ccc1N1CCOCC1 ZINC000824537616 628668532 /nfs/dbraw/zinc/66/85/32/628668532.db2.gz FWBOFNHLHUYVFR-UHFFFAOYSA-N 1 0 304.409 3.252 20 10 DGCDRO CC[N@@H+](Cc1ccc(Br)cc1O)C[C@H]1CCOC1 ZINC000824575655 628672202 /nfs/dbraw/zinc/67/22/02/628672202.db2.gz LRWRAFDIDVHMQD-LLVKDONJSA-N 1 0 314.223 3.013 20 10 DGCDRO Cc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824636839 628679488 /nfs/dbraw/zinc/67/94/88/628679488.db2.gz UHQMZMYDOUEEAK-PKOBYXMFSA-N 1 0 315.388 3.001 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000824764893 628690838 /nfs/dbraw/zinc/69/08/38/628690838.db2.gz DYFDVTPEWXRAHT-CYBMUJFWSA-N 1 0 304.217 3.464 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000824790489 628693919 /nfs/dbraw/zinc/69/39/19/628693919.db2.gz VSRQKPIPVDOJOS-MRXNPFEDSA-N 1 0 319.426 3.037 20 10 DGCDRO CC(C)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000824877839 628702281 /nfs/dbraw/zinc/70/22/81/628702281.db2.gz AZZYPNVWLOOMAZ-UHFFFAOYSA-N 1 0 306.425 3.331 20 10 DGCDRO [O-]c1c(F)cccc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893247 628703945 /nfs/dbraw/zinc/70/39/45/628703945.db2.gz NZGMZZQRSZARLP-ZBFHGGJFSA-N 1 0 305.393 3.312 20 10 DGCDRO c1cc([C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CCO2)ccn1 ZINC000824948268 628710231 /nfs/dbraw/zinc/71/02/31/628710231.db2.gz QBORXCSUZYSEEH-MJGOQNOKSA-N 1 0 310.397 3.026 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCN2Cc3ccccc3C2)cc1Cl ZINC000825090168 628726048 /nfs/dbraw/zinc/72/60/48/628726048.db2.gz OWZIWEDPXKLZIY-UHFFFAOYSA-N 1 0 316.832 3.459 20 10 DGCDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825089575 628726347 /nfs/dbraw/zinc/72/63/47/628726347.db2.gz FUCBCWYPQMOPOP-LLVKDONJSA-N 1 0 307.825 3.285 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2ccccc2F)cc1Cl ZINC000825131096 628731390 /nfs/dbraw/zinc/73/13/90/628731390.db2.gz KBRQPSCZVMDEDO-INIZCTEOSA-N 1 0 309.768 3.316 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1Cl ZINC000825138794 628731754 /nfs/dbraw/zinc/73/17/54/628731754.db2.gz XGCYTTGZWODATM-DLBZAZTESA-N 1 0 303.789 3.102 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCC[C@H]3CCOC3)CC2)cc1 ZINC000825144421 628732495 /nfs/dbraw/zinc/73/24/95/628732495.db2.gz NBBGVQSWOUMBJW-INIZCTEOSA-N 1 0 318.461 3.070 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000825250360 628742127 /nfs/dbraw/zinc/74/21/27/628742127.db2.gz ZLELMKDMKJVIHJ-KXBFYZLASA-N 1 0 300.446 3.300 20 10 DGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000825265931 628744157 /nfs/dbraw/zinc/74/41/57/628744157.db2.gz GCBFIUPIPZCORJ-YGRLFVJLSA-N 1 0 316.239 3.041 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825283511 628746103 /nfs/dbraw/zinc/74/61/03/628746103.db2.gz LYWHDUNIPYOMNS-HNNXBMFYSA-N 1 0 321.804 3.186 20 10 DGCDRO OCC1([C@@H]([NH2+]Cc2ccccc2O)c2cccs2)CCC1 ZINC000825311281 628748241 /nfs/dbraw/zinc/74/82/41/628748241.db2.gz IBIDWYXAZNMTDN-INIZCTEOSA-N 1 0 303.427 3.447 20 10 DGCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825316751 628748474 /nfs/dbraw/zinc/74/84/74/628748474.db2.gz ZQAPNCROBKURKM-GWCFXTLKSA-N 1 0 316.239 3.041 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1ccccc1O ZINC000825328133 628750393 /nfs/dbraw/zinc/75/03/93/628750393.db2.gz YMYXRSXRPADSSO-QRTARXTBSA-N 1 0 315.417 3.087 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1Cl ZINC000825354562 628753368 /nfs/dbraw/zinc/75/33/68/628753368.db2.gz XGCYTTGZWODATM-SJORKVTESA-N 1 0 303.789 3.102 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c(O)c(C(C)(C)C)c1 ZINC000825451665 628763049 /nfs/dbraw/zinc/76/30/49/628763049.db2.gz XGIRRIBGBIMQRU-UONOGXRCSA-N 1 0 321.461 3.291 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1Cl ZINC000825693308 628786372 /nfs/dbraw/zinc/78/63/72/628786372.db2.gz WALJBXGGAHHYTL-UHFFFAOYSA-N 1 0 304.777 3.013 20 10 DGCDRO C[C@@H](CSCCF)[NH2+]Cc1cc(Br)ccc1O ZINC000825893178 628807908 /nfs/dbraw/zinc/80/79/08/628807908.db2.gz QZLDHVHYXASZJV-VIFPVBQESA-N 1 0 322.243 3.336 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCCN(CC(F)F)CC2)cc1Cl ZINC000825928092 628810993 /nfs/dbraw/zinc/81/09/93/628810993.db2.gz MJIUJMDPYOGTBP-UHFFFAOYSA-N 1 0 318.795 3.127 20 10 DGCDRO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000826074522 628826221 /nfs/dbraw/zinc/82/62/21/628826221.db2.gz CVJYTROLADMFBW-SNVBAGLBSA-N 1 0 324.222 3.222 20 10 DGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000826142650 628830557 /nfs/dbraw/zinc/83/05/57/628830557.db2.gz HFSNNTYEOBZOIR-LBPRGKRZSA-N 1 0 318.161 3.386 20 10 DGCDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000826910312 628902165 /nfs/dbraw/zinc/90/21/65/628902165.db2.gz FAQMZXHRGSWXDX-MCFFVMPBSA-N 1 0 317.454 3.325 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1O ZINC000826911316 628903080 /nfs/dbraw/zinc/90/30/80/628903080.db2.gz VZINFLUQIXLRMH-JZKQVHKSSA-N 1 0 315.866 3.133 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1O ZINC000826911314 628903106 /nfs/dbraw/zinc/90/31/06/628903106.db2.gz VZINFLUQIXLRMH-ARGWCVDVSA-N 1 0 315.866 3.133 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2c(OC)cccc2OC)c1O ZINC000826920681 628904225 /nfs/dbraw/zinc/90/42/25/628904225.db2.gz KFWUXIYUSFIYFR-UHFFFAOYSA-N 1 0 301.386 3.262 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CC(COC)(C3CCC3)C2)c1 ZINC000827012308 628912665 /nfs/dbraw/zinc/91/26/65/628912665.db2.gz WKEJPDOMDCTXGW-UHFFFAOYSA-N 1 0 305.418 3.039 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)cc1OC ZINC000827031483 628914645 /nfs/dbraw/zinc/91/46/45/628914645.db2.gz WUYUXUKWTNDXKA-BLLLJJGKSA-N 1 0 313.397 3.227 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2cc(C)cc(C)c2)cc1OC ZINC000827094980 628921384 /nfs/dbraw/zinc/92/13/84/628921384.db2.gz XTIHPFUCLMJYGU-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO C[C@@H]1C[NH+](Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)C1O ZINC000827153004 628928837 /nfs/dbraw/zinc/92/88/37/628928837.db2.gz XMPKTBIAXVRHGG-HZPDHXFCSA-N 1 0 302.462 3.126 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)c1 ZINC000827544510 628969374 /nfs/dbraw/zinc/96/93/74/628969374.db2.gz CSKUFFIHHSMPOE-KRWDZBQOSA-N 1 0 312.413 3.112 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000827663155 628981326 /nfs/dbraw/zinc/98/13/26/628981326.db2.gz ZDHGPNGLHUOQAF-HNNXBMFYSA-N 1 0 304.478 3.420 20 10 DGCDRO CCCN(C)CC(C)(C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000827722956 628986016 /nfs/dbraw/zinc/98/60/16/628986016.db2.gz ZOUUQBNRBFSYJQ-UHFFFAOYSA-N 1 0 314.857 3.264 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000827751933 628988611 /nfs/dbraw/zinc/98/86/11/628988611.db2.gz YYJWFRDNGAHHSQ-WMZOPIPTSA-N 1 0 305.418 3.221 20 10 DGCDRO O=C1CC[C@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)CCN1 ZINC000827813692 628993919 /nfs/dbraw/zinc/99/39/19/628993919.db2.gz YLZJBMZKHHRIII-HNNXBMFYSA-N 1 0 316.445 3.053 20 10 DGCDRO CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000827821025 628994489 /nfs/dbraw/zinc/99/44/89/628994489.db2.gz LJZSXIYFGRNCMD-GOSISDBHSA-N 1 0 317.477 3.055 20 10 DGCDRO C[C@@H](NC(=O)c1sccc1C[NH+](C)C)c1ccccc1O ZINC000827937140 629005314 /nfs/dbraw/zinc/00/53/14/629005314.db2.gz LWMOSTGALDYTIR-LLVKDONJSA-N 1 0 304.415 3.006 20 10 DGCDRO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)[NH+]1CCCCC1 ZINC000827978265 629010557 /nfs/dbraw/zinc/01/05/57/629010557.db2.gz MVHCLIRBAHRDBD-YOEHRIQHSA-N 1 0 304.434 3.080 20 10 DGCDRO Cc1cc(C[NH+]2CCC(C)(O)CC2)ccc1N1CCCCC1 ZINC000828047730 629018066 /nfs/dbraw/zinc/01/80/66/629018066.db2.gz WYEQQRJOPVMEQD-UHFFFAOYSA-N 1 0 302.462 3.332 20 10 DGCDRO C[C@H](c1ccccc1)[N@H+](CC[S@@](C)=O)Cc1ccccc1O ZINC000828564196 629068472 /nfs/dbraw/zinc/06/84/72/629068472.db2.gz NNOQTXXVHWDKCI-IVZQSRNASA-N 1 0 317.454 3.334 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)ccc1N1CCCCC1 ZINC000828755376 629088110 /nfs/dbraw/zinc/08/81/10/629088110.db2.gz MTLCKXBVQHLDIB-FUHWJXTLSA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(CN2CCc3cc(Cl)nnc3C2)ccc1N(C)C ZINC000829175936 629137809 /nfs/dbraw/zinc/13/78/09/629137809.db2.gz NQPQWTJUPKNBFN-UHFFFAOYSA-N 1 0 316.836 3.063 20 10 DGCDRO CCN(C)c1ccc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000830087265 629223464 /nfs/dbraw/zinc/22/34/64/629223464.db2.gz CLCFENUCYIKCML-MRXNPFEDSA-N 1 0 301.478 3.059 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@H](CCO)c2ccccc2F)cc1 ZINC000830354996 629257280 /nfs/dbraw/zinc/25/72/80/629257280.db2.gz BBIBTTKPLRUEKI-LJQANCHMSA-N 1 0 316.420 3.495 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1O ZINC000832779519 629514028 /nfs/dbraw/zinc/51/40/28/629514028.db2.gz ZNGOPAAESZRYKD-OAHLLOKOSA-N 1 0 324.852 3.163 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(Cn3cccn3)cc1)CC2 ZINC000834496380 629718046 /nfs/dbraw/zinc/71/80/46/629718046.db2.gz GARHJDIBBQKDOT-GOSISDBHSA-N 1 0 319.408 3.414 20 10 DGCDRO COCCOc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000834518625 629719727 /nfs/dbraw/zinc/71/97/27/629719727.db2.gz KRISBLMSINAPHT-QGZVFWFLSA-N 1 0 313.397 3.195 20 10 DGCDRO CN(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834527090 629720288 /nfs/dbraw/zinc/72/02/88/629720288.db2.gz VEGFWCBHRTYRSW-MSOLQXFVSA-N 1 0 310.441 3.142 20 10 DGCDRO O=C1OCCN1c1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000834526109 629720583 /nfs/dbraw/zinc/72/05/83/629720583.db2.gz DSDPJEUXTVSJNB-MRXNPFEDSA-N 1 0 324.380 3.126 20 10 DGCDRO COc1cccc(O[C@@H](C)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000834602817 629738930 /nfs/dbraw/zinc/73/89/30/629738930.db2.gz VDAVMMYTIMYCQM-GUYCJALGSA-N 1 0 313.397 3.445 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)CC2 ZINC000834668806 629752480 /nfs/dbraw/zinc/75/24/80/629752480.db2.gz OBXMJKXZIBPUNL-HOCLYGCPSA-N 1 0 303.789 3.356 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H](O)c1cccc(F)c1 ZINC000834676473 629755273 /nfs/dbraw/zinc/75/52/73/629755273.db2.gz UXZFJPWUQALSPV-GYOIFBIXSA-N 1 0 301.361 3.230 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(-n2ccnn2)cc1 ZINC000834694166 629759017 /nfs/dbraw/zinc/75/90/17/629759017.db2.gz UWEFRJLHFYNUPF-CXAGYDPISA-N 1 0 320.396 3.311 20 10 DGCDRO CC1CCC2(CC1)OC[C@H](C[NH2+][C@H]1CCc3cccc(O)c31)O2 ZINC000834736935 629770349 /nfs/dbraw/zinc/77/03/49/629770349.db2.gz BSJXPDJKGZDKBZ-ZAKOAHRUSA-N 1 0 317.429 3.291 20 10 DGCDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834843752 629788969 /nfs/dbraw/zinc/78/89/69/629788969.db2.gz KGWAXMWHEPOOON-VQIMIIECSA-N 1 0 320.477 3.115 20 10 DGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)Cc1ccccc1 ZINC000834857053 629791374 /nfs/dbraw/zinc/79/13/74/629791374.db2.gz YLDBOEYZJBXBFF-CJNGLKHVSA-N 1 0 303.377 3.440 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(N(C)CC)cc1)C(C)C ZINC000834878512 629795560 /nfs/dbraw/zinc/79/55/60/629795560.db2.gz DVCFFXRINCWGED-QAPCUYQASA-N 1 0 319.493 3.296 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1O)[C@@H](C)O ZINC000834888256 629798555 /nfs/dbraw/zinc/79/85/55/629798555.db2.gz NZTVRUZGHUKVJU-CWSCBRNRSA-N 1 0 316.239 3.273 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC000834899398 629802006 /nfs/dbraw/zinc/80/20/06/629802006.db2.gz PRFQABIWEDXVNR-PMUMKWKESA-N 1 0 315.417 3.005 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)cc1 ZINC000834897782 629802166 /nfs/dbraw/zinc/80/21/66/629802166.db2.gz VQRHHMYXZDQGCS-LSDHHAIUSA-N 1 0 300.450 3.158 20 10 DGCDRO Cc1cnc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000834910700 629806962 /nfs/dbraw/zinc/80/69/62/629806962.db2.gz YDOIJTMHFJPLIN-GFCCVEGCSA-N 1 0 305.809 3.346 20 10 DGCDRO CC[NH+](CC)C[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835026221 629827331 /nfs/dbraw/zinc/82/73/31/629827331.db2.gz QODGNLHRLPRZRS-IHHMQQGQSA-N 1 0 315.505 3.430 20 10 DGCDRO CC(C)[N@@H+]1CCCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835025211 629828205 /nfs/dbraw/zinc/82/82/05/629828205.db2.gz GLIDBNOZZKZFHQ-FNORWQNLSA-N 1 0 301.478 3.182 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000835028302 629828754 /nfs/dbraw/zinc/82/87/54/629828754.db2.gz LVSIJBNQAPSYQW-ARJAWSKDSA-N 1 0 300.446 3.268 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000835033482 629829689 /nfs/dbraw/zinc/82/96/89/629829689.db2.gz UIZASSGXUUQCSG-ZRHASKPBSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000835029831 629829819 /nfs/dbraw/zinc/82/98/19/629829819.db2.gz SXJHTZKMTOTFSC-QEVIJRNUSA-N 1 0 322.452 3.358 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(N(C)C)nc2)cc1 ZINC000835036072 629830314 /nfs/dbraw/zinc/83/03/14/629830314.db2.gz MWEVMOOPFXKYID-AATRIKPKSA-N 1 0 310.445 3.017 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000835036376 629830572 /nfs/dbraw/zinc/83/05/72/629830572.db2.gz PBGNKMOZLPTHEP-DUMMIQTOSA-N 1 0 310.445 3.167 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000835035141 629830631 /nfs/dbraw/zinc/83/06/31/629830631.db2.gz HMCUKKQADYVLEJ-ALCCZGGFSA-N 1 0 310.445 3.017 20 10 DGCDRO Cc1ccccc1[C@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835038469 629830981 /nfs/dbraw/zinc/83/09/81/629830981.db2.gz ATZGVWGCRGRSCS-CPSHHHPTSA-N 1 0 310.441 3.397 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)c2cccc(F)c2)cc1 ZINC000835038622 629831524 /nfs/dbraw/zinc/83/15/24/629831524.db2.gz BZTQTIZFAVOTBC-PHWHVTFISA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCC(=O)OC(C)(C)C)cc1 ZINC000835040213 629832074 /nfs/dbraw/zinc/83/20/74/629832074.db2.gz OEPQIGDTEPRJGI-VOTSOKGWSA-N 1 0 304.434 3.087 20 10 DGCDRO Cc1cccc([C@H](O)C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC000835043881 629834056 /nfs/dbraw/zinc/83/40/56/629834056.db2.gz UWAQANYVTNALOB-MWGFUINXSA-N 1 0 310.441 3.397 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000835049015 629835440 /nfs/dbraw/zinc/83/54/40/629835440.db2.gz DLKVQZJVBHRLIL-SIEMBAAWSA-N 1 0 300.446 3.268 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000835049551 629836281 /nfs/dbraw/zinc/83/62/81/629836281.db2.gz KAEYMBVNYXFOJN-KZFWWMDYSA-N 1 0 300.446 3.409 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cnc3n2CCCC3)cc1 ZINC000835050560 629836605 /nfs/dbraw/zinc/83/66/05/629836605.db2.gz UROSKQUPMPKQDJ-WAYWQWQTSA-N 1 0 310.445 3.088 20 10 DGCDRO Cc1nccn1CCC[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835052496 629836829 /nfs/dbraw/zinc/83/68/29/629836829.db2.gz DPFWROYBOGXRIB-FNORWQNLSA-N 1 0 312.461 3.293 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1 ZINC000835051858 629836924 /nfs/dbraw/zinc/83/69/24/629836924.db2.gz AKVXMZSVGPMRDI-XFHJGTJQSA-N 1 0 302.462 3.153 20 10 DGCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835052939 629837439 /nfs/dbraw/zinc/83/74/39/629837439.db2.gz ITESIKJMGSVEFQ-HTWXZYLJSA-N 1 0 313.489 3.324 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@@H](CO)c2ccccc2)cc1 ZINC000835053458 629837582 /nfs/dbraw/zinc/83/75/82/629837582.db2.gz COWRAVANZPVKHC-DUIUGDAFSA-N 1 0 310.441 3.431 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@]2(C)CCCO)cc1 ZINC000835053114 629837825 /nfs/dbraw/zinc/83/78/25/629837825.db2.gz KUAVSMKNGCXIJC-BQHGXPCASA-N 1 0 302.462 3.393 20 10 DGCDRO Cc1cnc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000835063621 629841901 /nfs/dbraw/zinc/84/19/01/629841901.db2.gz NRKQWTPQIPVLCK-UHFFFAOYSA-N 1 0 310.445 3.108 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCc2ccc(C)cn2)c1O ZINC000835064604 629842643 /nfs/dbraw/zinc/84/26/43/629842643.db2.gz GHQAEWYNEOKRPG-UHFFFAOYSA-N 1 0 306.793 3.090 20 10 DGCDRO Cc1cc(C)c(NC(=O)NCc2ccc(N(C)C)cc2)c(C)n1 ZINC000836628489 630143262 /nfs/dbraw/zinc/14/32/62/630143262.db2.gz GTFDSPFXHSHWSY-UHFFFAOYSA-N 1 0 312.417 3.395 20 10 DGCDRO CCOc1ncccc1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840876306 630370325 /nfs/dbraw/zinc/37/03/25/630370325.db2.gz VOSFSOHRSBAQHW-UHFFFAOYSA-N 1 0 306.793 3.438 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H]3CC3(F)F)CC2)cc1 ZINC000840879176 630371303 /nfs/dbraw/zinc/37/13/03/630371303.db2.gz LIOQALOSDZISEA-MLGOLLRUSA-N 1 0 310.388 3.297 20 10 DGCDRO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893336 630373974 /nfs/dbraw/zinc/37/39/74/630373974.db2.gz ITNQUYXYZCIIDQ-KGLIPLIRSA-N 1 0 300.450 3.374 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000840910386 630376547 /nfs/dbraw/zinc/37/65/47/630376547.db2.gz SAXPBJAOQUHPLU-UHFFFAOYSA-N 1 0 303.494 3.366 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c(Cl)c1 ZINC000840914220 630377341 /nfs/dbraw/zinc/37/73/41/630377341.db2.gz RKXJSVVDMJONLN-CYBMUJFWSA-N 1 0 305.809 3.388 20 10 DGCDRO Cc1noc(C)c1CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936313 630380673 /nfs/dbraw/zinc/38/06/73/630380673.db2.gz CETFWIHARMVZOI-UHFFFAOYSA-N 1 0 301.434 3.388 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000840937502 630380880 /nfs/dbraw/zinc/38/08/80/630380880.db2.gz VKTBDMUVIGLKRT-UHFFFAOYSA-N 1 0 319.493 3.092 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840938920 630381244 /nfs/dbraw/zinc/38/12/44/630381244.db2.gz JQNLTEBYIZMIGG-IBGZPJMESA-N 1 0 312.457 3.063 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c(Cl)c1 ZINC000840941674 630382206 /nfs/dbraw/zinc/38/22/06/630382206.db2.gz HENQSSJZOLJXSX-CQSZACIVSA-N 1 0 323.795 3.186 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000840950913 630383445 /nfs/dbraw/zinc/38/34/45/630383445.db2.gz QPJKZTBXUMEYTQ-INIZCTEOSA-N 1 0 302.462 3.500 20 10 DGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000840956308 630385160 /nfs/dbraw/zinc/38/51/60/630385160.db2.gz MZDRRYOQHOLTIV-IRXDYDNUSA-N 1 0 313.397 3.099 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840956150 630385201 /nfs/dbraw/zinc/38/52/01/630385201.db2.gz HJOQFQOCQJZHDN-HOTGVXAUSA-N 1 0 303.789 3.354 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840956149 630385436 /nfs/dbraw/zinc/38/54/36/630385436.db2.gz HJOQFQOCQJZHDN-CVEARBPZSA-N 1 0 303.789 3.354 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)ccc1OC ZINC000840962483 630387611 /nfs/dbraw/zinc/38/76/11/630387611.db2.gz DKKBTNRMXMUINI-LZWOXQAQSA-N 1 0 307.434 3.135 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC000840973183 630389280 /nfs/dbraw/zinc/38/92/80/630389280.db2.gz DNEJIGRKBLFMEJ-CVEARBPZSA-N 1 0 312.404 3.171 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840974950 630389439 /nfs/dbraw/zinc/38/94/39/630389439.db2.gz ADUDIDPOVHNCNQ-HNNXBMFYSA-N 1 0 313.445 3.185 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1 ZINC000840975693 630390095 /nfs/dbraw/zinc/39/00/95/630390095.db2.gz KEKKNXHXCHKQPJ-QGZVFWFLSA-N 1 0 317.477 3.022 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000840978736 630390176 /nfs/dbraw/zinc/39/01/76/630390176.db2.gz VLKNJOMPLZCNIP-MRXNPFEDSA-N 1 0 300.377 3.208 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000841041443 630400771 /nfs/dbraw/zinc/40/07/71/630400771.db2.gz CGDVKHRNEWEMKN-QGZVFWFLSA-N 1 0 303.837 3.196 20 10 DGCDRO C[C@@H](CCC(F)(F)F)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044981 630401130 /nfs/dbraw/zinc/40/11/30/630401130.db2.gz HEKMDTAZKHJNJD-FZMZJTMJSA-N 1 0 303.372 3.073 20 10 DGCDRO Cc1cccc(CN2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)c1O ZINC000841046471 630401725 /nfs/dbraw/zinc/40/17/25/630401725.db2.gz BMSFNNFMBNRAMZ-CYBMUJFWSA-N 1 0 300.377 3.338 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(Cl)cc2F)cc1 ZINC000841045732 630401849 /nfs/dbraw/zinc/40/18/49/630401849.db2.gz OZKRINLRUXVLSN-QGZVFWFLSA-N 1 0 321.827 3.335 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841087480 630406113 /nfs/dbraw/zinc/40/61/13/630406113.db2.gz OGGTZBSZPCRDKU-NHYWBVRUSA-N 1 0 312.816 3.149 20 10 DGCDRO [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000841084203 630406127 /nfs/dbraw/zinc/40/61/27/630406127.db2.gz XMQNOCRFRPJGTQ-XYPYZODXSA-N 1 0 300.805 3.039 20 10 DGCDRO Nc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000841302371 630425422 /nfs/dbraw/zinc/42/54/22/630425422.db2.gz VCPGVNPDZZSJPS-SFHVURJKSA-N 1 0 324.428 3.227 20 10 DGCDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841301572 630425510 /nfs/dbraw/zinc/42/55/10/630425510.db2.gz UZURZHATOANXKH-OAHLLOKOSA-N 1 0 316.405 3.066 20 10 DGCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc(N)cc2)C1 ZINC000841302083 630425582 /nfs/dbraw/zinc/42/55/82/630425582.db2.gz LCUSNDOIHXRPQF-HUUCEWRRSA-N 1 0 318.465 3.148 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841744504 630461086 /nfs/dbraw/zinc/46/10/86/630461086.db2.gz OWYOKULIBXVCEK-DIFFPNOSSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(Cl)cc1O ZINC000841753956 630462309 /nfs/dbraw/zinc/46/23/09/630462309.db2.gz GRUUHANNJCLKHR-SECBINFHSA-N 1 0 311.838 3.419 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(Cl)cc1O ZINC000841755557 630462356 /nfs/dbraw/zinc/46/23/56/630462356.db2.gz JDQMVZJCEWUJBE-XHDPSFHLSA-N 1 0 323.795 3.439 20 10 DGCDRO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(Cl)cc1O ZINC000841753960 630462402 /nfs/dbraw/zinc/46/24/02/630462402.db2.gz GRUUHANNJCLKHR-VIFPVBQESA-N 1 0 311.838 3.419 20 10 DGCDRO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(Cl)cc1O ZINC000841761809 630462835 /nfs/dbraw/zinc/46/28/35/630462835.db2.gz GWEFPGBJMPDOST-DGIBIBHMSA-N 1 0 303.855 3.243 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O ZINC000841765676 630463753 /nfs/dbraw/zinc/46/37/53/630463753.db2.gz UXQSCQWHNJHJNM-WCQYABFASA-N 1 0 318.795 3.426 20 10 DGCDRO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000841897078 630474935 /nfs/dbraw/zinc/47/49/35/630474935.db2.gz TYMGXWPBQKZPNP-MRXNPFEDSA-N 1 0 316.376 3.278 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)NCCC[NH2+]C(C)C ZINC000841932667 630476192 /nfs/dbraw/zinc/47/61/92/630476192.db2.gz QVELSYVOHUNSPW-UHFFFAOYSA-N 1 0 321.465 3.092 20 10 DGCDRO CO[C@@H](CC(C)C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000842149178 630498755 /nfs/dbraw/zinc/49/87/55/630498755.db2.gz YDENECILUBGHHU-IBGZPJMESA-N 1 0 320.477 3.016 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(OC3CCC3)CC2)c1O ZINC000842161894 630500397 /nfs/dbraw/zinc/50/03/97/630500397.db2.gz RZDIGCUZLVXKEB-UHFFFAOYSA-N 1 0 321.392 3.267 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1O ZINC000842612569 630553427 /nfs/dbraw/zinc/55/34/27/630553427.db2.gz JVFAPCDLSDNEMI-GDBMZVCRSA-N 1 0 305.418 3.100 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c1 ZINC000842627314 630554715 /nfs/dbraw/zinc/55/47/15/630554715.db2.gz ZGQWZEZMZUFYGB-HXUWFJFHSA-N 1 0 311.425 3.275 20 10 DGCDRO COc1cc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c(O)cc1C ZINC000842637793 630556784 /nfs/dbraw/zinc/55/67/84/630556784.db2.gz FOBDUEVNSHFGAD-CQSZACIVSA-N 1 0 305.418 3.100 20 10 DGCDRO C[C@H]1CC2(C[N@@H+]1Cc1c(O)ccc3ccncc31)CCOCC2 ZINC000842638211 630557021 /nfs/dbraw/zinc/55/70/21/630557021.db2.gz XNFYKXBTNUNBPL-AWEZNQCLSA-N 1 0 312.413 3.331 20 10 DGCDRO CCCC[C@](C)(CO)[NH2+]Cc1cc(Br)ccc1O ZINC000842745456 630570395 /nfs/dbraw/zinc/57/03/95/630570395.db2.gz BSFQSFOIODAQHL-CQSZACIVSA-N 1 0 316.239 3.186 20 10 DGCDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000842753750 630571999 /nfs/dbraw/zinc/57/19/99/630571999.db2.gz IXLWSRHKYVISIJ-ZWNOBZJWSA-N 1 0 316.239 3.041 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CO1 ZINC000842776149 630575005 /nfs/dbraw/zinc/57/50/05/630575005.db2.gz SESBLGMBKGKNAL-JQWIXIFHSA-N 1 0 302.340 3.038 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(C)cc1O ZINC000842884389 630588992 /nfs/dbraw/zinc/58/89/92/630588992.db2.gz JAKKVTPLHHYNAP-LSDHHAIUSA-N 1 0 304.434 3.141 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c1O ZINC000842930720 630594866 /nfs/dbraw/zinc/59/48/66/630594866.db2.gz ZOBZFXQAQMPVIH-SCVCMEIPSA-N 1 0 314.223 3.291 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(N2CCCC2)nc1 ZINC000843058173 630609971 /nfs/dbraw/zinc/60/99/71/630609971.db2.gz NHRIVSJKGPPOIQ-UHFFFAOYSA-N 1 0 322.456 3.093 20 10 DGCDRO [NH3+]CCN(CCc1ccccc1)Cc1c(O)cccc1Cl ZINC000843122216 630615662 /nfs/dbraw/zinc/61/56/62/630615662.db2.gz PCLKSUHBUNZAKS-UHFFFAOYSA-N 1 0 304.821 3.049 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843125880 630616626 /nfs/dbraw/zinc/61/66/26/630616626.db2.gz BLHOIQUPNAPKOO-GFCCVEGCSA-N 1 0 312.816 3.006 20 10 DGCDRO CCC(CC)(CC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296638 630643111 /nfs/dbraw/zinc/64/31/11/630643111.db2.gz BWQQRDCOUGOWID-MRXNPFEDSA-N 1 0 305.466 3.085 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000843417038 630654219 /nfs/dbraw/zinc/65/42/19/630654219.db2.gz OHUYYSQTPRAXGP-UONOGXRCSA-N 1 0 322.449 3.482 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000843417460 630654241 /nfs/dbraw/zinc/65/42/41/630654241.db2.gz UOQXQBIXDRBHCD-ZIAGYGMSSA-N 1 0 322.449 3.482 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000843417148 630654281 /nfs/dbraw/zinc/65/42/81/630654281.db2.gz PWXLXBHBKWIXPH-PBHICJAKSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000843417036 630654474 /nfs/dbraw/zinc/65/44/74/630654474.db2.gz OHUYYSQTPRAXGP-KBPBESRZSA-N 1 0 322.449 3.482 20 10 DGCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)N1 ZINC000844312063 630717985 /nfs/dbraw/zinc/71/79/85/630717985.db2.gz CDVJBKZDACZTJG-QAPCUYQASA-N 1 0 324.424 3.234 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)[C@@H](CC)CO1 ZINC000844724980 630807980 /nfs/dbraw/zinc/80/79/80/630807980.db2.gz GFUOBCNYTUXLTL-GJZGRUSLSA-N 1 0 300.402 3.330 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC3(CC3(F)F)CC2)cc1OC ZINC000844729026 630816284 /nfs/dbraw/zinc/81/62/84/630816284.db2.gz PQFIDIBMJLLUHF-UHFFFAOYSA-N 1 0 313.344 3.031 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1CC[NH3+] ZINC000844900684 630970278 /nfs/dbraw/zinc/97/02/78/630970278.db2.gz CQEYFWAGPMEDNQ-GWCFXTLKSA-N 1 0 300.805 3.134 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000844904289 630972817 /nfs/dbraw/zinc/97/28/17/630972817.db2.gz GVOVLUZLVDWFQX-OAHLLOKOSA-N 1 0 312.413 3.307 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)ncn3C)c1 ZINC000845970610 631204127 /nfs/dbraw/zinc/20/41/27/631204127.db2.gz AHRYLDLCBSFTFY-GFCCVEGCSA-N 1 0 311.385 3.138 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2cccc(OC)n2)c1 ZINC000845972504 631204328 /nfs/dbraw/zinc/20/43/28/631204328.db2.gz QZQXSKOGOXFJRD-STQMWFEESA-N 1 0 316.401 3.086 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc3cccc(C)n23)c1 ZINC000845973370 631204383 /nfs/dbraw/zinc/20/43/83/631204383.db2.gz YKNYNWAHUMJZSA-ZDUSSCGKSA-N 1 0 311.385 3.208 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000846009421 631205412 /nfs/dbraw/zinc/20/54/12/631205412.db2.gz ZHUVYHXQNAHORA-UHFFFAOYSA-N 1 0 302.462 3.270 20 10 DGCDRO CC[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccccc1O ZINC000846012376 631206099 /nfs/dbraw/zinc/20/60/99/631206099.db2.gz YXGTUBBNQRGTIN-QUCCMNQESA-N 1 0 311.425 3.309 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000846039244 631207588 /nfs/dbraw/zinc/20/75/88/631207588.db2.gz PZRPHYZVIJPBKZ-IFXJQAMLSA-N 1 0 315.413 3.177 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c1 ZINC000846038535 631207602 /nfs/dbraw/zinc/20/76/02/631207602.db2.gz MTRWNNUERYDHBC-KUHUBIRLSA-N 1 0 315.413 3.177 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@](C)(O)c1ccccc1 ZINC000846043061 631207901 /nfs/dbraw/zinc/20/79/01/631207901.db2.gz JIJFZTRUGODAHK-OXQOHEQNSA-N 1 0 312.457 3.447 20 10 DGCDRO C[C@@H](CO)C1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000846057221 631208647 /nfs/dbraw/zinc/20/86/47/631208647.db2.gz FMBUFMMBPYRCDD-APHBUQMISA-N 1 0 302.462 3.106 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846102293 631209345 /nfs/dbraw/zinc/20/93/45/631209345.db2.gz LMFPNRYCBJOOSO-JTQLQIEISA-N 1 0 304.217 3.464 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC000846118554 631210860 /nfs/dbraw/zinc/21/08/60/631210860.db2.gz XLSBZXUQNIQZGF-CYBMUJFWSA-N 1 0 303.736 3.285 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1O ZINC000846135726 631211414 /nfs/dbraw/zinc/21/14/14/631211414.db2.gz FUEFSGAORLYPPR-JSGCOSHPSA-N 1 0 320.458 3.416 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C12CCC2 ZINC000846144515 631211724 /nfs/dbraw/zinc/21/17/24/631211724.db2.gz HJCTZLPABQCNCA-UHOFOFEASA-N 1 0 305.418 3.399 20 10 DGCDRO CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846144100 631211849 /nfs/dbraw/zinc/21/18/49/631211849.db2.gz JMJMRFHYBMPDHY-HUUCEWRRSA-N 1 0 306.450 3.316 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C12CCC2 ZINC000846144513 631211930 /nfs/dbraw/zinc/21/19/30/631211930.db2.gz HJCTZLPABQCNCA-APHBMKBZSA-N 1 0 305.418 3.399 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c1O ZINC000846148583 631212233 /nfs/dbraw/zinc/21/22/33/631212233.db2.gz RCXPDRGZOAHYQT-LBPRGKRZSA-N 1 0 309.406 3.173 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1O ZINC000846156365 631212479 /nfs/dbraw/zinc/21/24/79/631212479.db2.gz DWCDZKYHQLHYJI-GFCCVEGCSA-N 1 0 316.357 3.202 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c1O ZINC000846154038 631212505 /nfs/dbraw/zinc/21/25/05/631212505.db2.gz JDCNTVLBKJIEFM-QMTHXVAHSA-N 1 0 323.339 3.063 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c1O ZINC000846157685 631212811 /nfs/dbraw/zinc/21/28/11/631212811.db2.gz OMKDBLXAOQGEMB-CXAGYDPISA-N 1 0 312.413 3.238 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccccc2)c1O ZINC000846169553 631213227 /nfs/dbraw/zinc/21/32/27/631213227.db2.gz FEBIWLGPNUCOOB-AHIWAGSCSA-N 1 0 301.386 3.174 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](CO)CC2CCCC2)c1O ZINC000846166843 631213370 /nfs/dbraw/zinc/21/33/70/631213370.db2.gz DMPVKISMFKRAMG-DZGCQCFKSA-N 1 0 307.434 3.240 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)CCF)c1ccc(N2CCCCCC2)cc1 ZINC000846207984 631214813 /nfs/dbraw/zinc/21/48/13/631214813.db2.gz DIJNNGDRLVECFA-WBVHZDCISA-N 1 0 308.441 3.438 20 10 DGCDRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1cc2c(cc1O)CCCC2 ZINC000846211664 631215161 /nfs/dbraw/zinc/21/51/61/631215161.db2.gz XYWYTBPOPNQDAH-CQSZACIVSA-N 1 0 303.446 3.474 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000848556940 631692290 /nfs/dbraw/zinc/69/22/90/631692290.db2.gz DNLMPUVQQSEJLU-MWDXBVQZSA-N 1 0 320.477 3.157 20 10 DGCDRO CO[C@](C)(CO)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000848560152 631693121 /nfs/dbraw/zinc/69/31/21/631693121.db2.gz ZEJMOOOCXGBSQH-LPHOPBHVSA-N 1 0 320.477 3.115 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2O ZINC000848566327 631695918 /nfs/dbraw/zinc/69/59/18/631695918.db2.gz VBKBWIPSKXSEFO-VKOGCRJHSA-N 1 0 313.372 3.328 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c1 ZINC000848576996 631701558 /nfs/dbraw/zinc/70/15/58/631701558.db2.gz ZXHYKKOCXPCKFU-MRXNPFEDSA-N 1 0 305.418 3.372 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000848882274 631769259 /nfs/dbraw/zinc/76/92/59/631769259.db2.gz XSMQGXFMVZWXBR-UHFFFAOYSA-N 1 0 305.418 3.120 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000848892590 631775551 /nfs/dbraw/zinc/77/55/51/631775551.db2.gz BDUQVQAIPGXXLJ-CQSZACIVSA-N 1 0 322.412 3.386 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](c2ccsc2)N(C)C)c1O ZINC000848893219 631775943 /nfs/dbraw/zinc/77/59/43/631775943.db2.gz TVRFZHKDRFHWLG-MRXNPFEDSA-N 1 0 304.459 3.409 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000848895101 631776724 /nfs/dbraw/zinc/77/67/24/631776724.db2.gz QQXYBHPHSRJRLA-MRXNPFEDSA-N 1 0 301.434 3.356 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)c1O ZINC000848895251 631776776 /nfs/dbraw/zinc/77/67/76/631776776.db2.gz KVOJNDRUKMEUAZ-INIZCTEOSA-N 1 0 313.397 3.057 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c1O ZINC000848896495 631777940 /nfs/dbraw/zinc/77/79/40/631777940.db2.gz BQFUMVDHCASCPR-PXAZEXFGSA-N 1 0 303.377 3.305 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c1O ZINC000848898981 631778481 /nfs/dbraw/zinc/77/84/81/631778481.db2.gz BMEOGAMQCPHCFG-RBUKOAKNSA-N 1 0 310.441 3.490 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000848898848 631778524 /nfs/dbraw/zinc/77/85/24/631778524.db2.gz ZFXRVTBWAMGMJH-SJCJKPOMSA-N 1 0 303.377 3.305 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1O ZINC000848917038 631786862 /nfs/dbraw/zinc/78/68/62/631786862.db2.gz ZZKAHIVGEKMRKF-QZTJIDSGSA-N 1 0 312.413 3.360 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1O ZINC000848920067 631787567 /nfs/dbraw/zinc/78/75/67/631787567.db2.gz WSOFSLPQOUEKCD-YVEFUNNKSA-N 1 0 303.377 3.305 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000848921461 631788621 /nfs/dbraw/zinc/78/86/21/631788621.db2.gz BJVZOHJUKUUZBF-RTBURBONSA-N 1 0 302.462 3.498 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c1 ZINC000848927346 631790620 /nfs/dbraw/zinc/79/06/20/631790620.db2.gz WCVYACXZZSDVNA-MRXNPFEDSA-N 1 0 323.433 3.247 20 10 DGCDRO CCNC(=[NH2+])NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000848986801 631798224 /nfs/dbraw/zinc/79/82/24/631798224.db2.gz DDFUSORGDGZTRL-GFCCVEGCSA-N 1 0 308.857 3.210 20 10 DGCDRO COc1ccc(NC(=[NH2+])NCc2ccc(N(C)C)cc2C)cc1 ZINC000849009376 631805533 /nfs/dbraw/zinc/80/55/33/631805533.db2.gz ZXBHSZYRDCVBCX-UHFFFAOYSA-N 1 0 312.417 3.206 20 10 DGCDRO [NH2+]=C(NCc1cc(Br)ccc1O)Nc1ccccc1 ZINC000849050400 631818328 /nfs/dbraw/zinc/81/83/28/631818328.db2.gz PXNYTOKIKDFVOI-UHFFFAOYSA-N 1 0 320.190 3.291 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000849348901 631900877 /nfs/dbraw/zinc/90/08/77/631900877.db2.gz LLLMUIGWZBUODX-HNNXBMFYSA-N 1 0 320.433 3.108 20 10 DGCDRO Oc1c(Cl)cccc1CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000849352658 631901421 /nfs/dbraw/zinc/90/14/21/631901421.db2.gz OUWSRZRVMNCXDI-MRXNPFEDSA-N 1 0 318.804 3.319 20 10 DGCDRO Oc1c(Cl)cccc1CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000849352657 631901534 /nfs/dbraw/zinc/90/15/34/631901534.db2.gz OUWSRZRVMNCXDI-INIZCTEOSA-N 1 0 318.804 3.319 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cc(N)ccc32)c1O ZINC000849352902 631902070 /nfs/dbraw/zinc/90/20/70/631902070.db2.gz SBLLAVCPRHNXOT-OAHLLOKOSA-N 1 0 318.804 3.414 20 10 DGCDRO COc1cc(C[NH2+]C[C@@]2(C)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850134497 632062663 /nfs/dbraw/zinc/06/26/63/632062663.db2.gz AYFJMECQGVHOIT-GOSISDBHSA-N 1 0 307.434 3.215 20 10 DGCDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850134333 632062874 /nfs/dbraw/zinc/06/28/74/632062874.db2.gz WMOWMVIIHKZRFR-BLLLJJGKSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850160181 632068548 /nfs/dbraw/zinc/06/85/48/632068548.db2.gz QBOIZMZQKMWFES-OLZOCXBDSA-N 1 0 307.434 3.213 20 10 DGCDRO COc1cc(C[NH2+][C@]2(C)CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850235649 632089711 /nfs/dbraw/zinc/08/97/11/632089711.db2.gz AUWWLHGADURESS-GOSISDBHSA-N 1 0 307.434 3.357 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850238509 632090782 /nfs/dbraw/zinc/09/07/82/632090782.db2.gz HSNKPHYLGSHADA-CQSZACIVSA-N 1 0 307.434 3.357 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850295498 632106724 /nfs/dbraw/zinc/10/67/24/632106724.db2.gz WKLQROJFJHHODY-ZIAGYGMSSA-N 1 0 321.461 3.461 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850295497 632107082 /nfs/dbraw/zinc/10/70/82/632107082.db2.gz WKLQROJFJHHODY-UONOGXRCSA-N 1 0 321.461 3.461 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c(O)c(C(C)(C)C)c1 ZINC000850320495 632112043 /nfs/dbraw/zinc/11/20/43/632112043.db2.gz JXGVGKJBBPHLMJ-TZMCWYRMSA-N 1 0 307.434 3.355 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3csc(C)c3)C2)cc1 ZINC000850346303 632120041 /nfs/dbraw/zinc/12/00/41/632120041.db2.gz DUBDYJMESHQRRJ-OAHLLOKOSA-N 1 0 302.443 3.434 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(F)ccc3F)C2)cc1 ZINC000850345463 632120050 /nfs/dbraw/zinc/12/00/50/632120050.db2.gz BAKJDQDPTYAKRJ-OAHLLOKOSA-N 1 0 318.367 3.342 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000850346285 632120349 /nfs/dbraw/zinc/12/03/49/632120349.db2.gz RQMQNLJSZSLMDV-MRXNPFEDSA-N 1 0 312.413 3.072 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H](C)SC3)C2)cc1 ZINC000850347666 632120642 /nfs/dbraw/zinc/12/06/42/632120642.db2.gz VOVMADMBHFQTHF-SOUVJXGZSA-N 1 0 306.475 3.148 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(C)oc3C)C2)cc1 ZINC000850347501 632120659 /nfs/dbraw/zinc/12/06/59/632120659.db2.gz SNVZXQLJANRWIM-MRXNPFEDSA-N 1 0 300.402 3.274 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(F)cc(F)c3)C2)cc1 ZINC000850347723 632120744 /nfs/dbraw/zinc/12/07/44/632120744.db2.gz WSQAOPUZAUQNBM-INIZCTEOSA-N 1 0 318.367 3.342 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc4cnccc4o3)C2)cc1 ZINC000850347343 632120846 /nfs/dbraw/zinc/12/08/46/632120846.db2.gz QNVOBZICXXPXIG-HNNXBMFYSA-N 1 0 323.396 3.205 20 10 DGCDRO CCOCc1cc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1OC ZINC000850350988 632121611 /nfs/dbraw/zinc/12/16/11/632121611.db2.gz JOOSHVGNPCJIBP-KRWDZBQOSA-N 1 0 320.477 3.194 20 10 DGCDRO Cc1cc(F)ccc1C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850350076 632122018 /nfs/dbraw/zinc/12/20/18/632122018.db2.gz NTTZIKONRKUASF-GFCCVEGCSA-N 1 0 317.360 3.289 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(C)ccc1O)c1cccc(OC)c1 ZINC000850362962 632125705 /nfs/dbraw/zinc/12/57/05/632125705.db2.gz WQELEAFEBGJNHR-KRWDZBQOSA-N 1 0 301.386 3.187 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)c1cccc(OC)c1 ZINC000850362396 632125737 /nfs/dbraw/zinc/12/57/37/632125737.db2.gz MYYOIWRVDICGKB-GOSISDBHSA-N 1 0 315.413 3.490 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(C)ccc1O)c1cccc(OC)c1 ZINC000850362963 632125833 /nfs/dbraw/zinc/12/58/33/632125833.db2.gz WQELEAFEBGJNHR-QGZVFWFLSA-N 1 0 301.386 3.187 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)COc2c(F)cccc2F)c1O ZINC000850366989 632127300 /nfs/dbraw/zinc/12/73/00/632127300.db2.gz UCYQDLVYBLGKOI-LLVKDONJSA-N 1 0 323.339 3.236 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850380214 632133016 /nfs/dbraw/zinc/13/30/16/632133016.db2.gz QKEBCNFNJJIHBN-ZSSZLNJBSA-N 1 0 322.399 3.170 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@H](C)O3)CC2)cc1 ZINC000850379399 632133329 /nfs/dbraw/zinc/13/33/29/632133329.db2.gz NQFDNPZGCKCJHT-KXBFYZLASA-N 1 0 318.461 3.211 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c1O ZINC000850382285 632133963 /nfs/dbraw/zinc/13/39/63/632133963.db2.gz QPNRLZJMWVXMPU-HNNXBMFYSA-N 1 0 317.360 3.023 20 10 DGCDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc3c(cc1O)OCO3)[C@H](C)C2 ZINC000850386494 632134891 /nfs/dbraw/zinc/13/48/91/632134891.db2.gz LGMSTRFIYUERGW-BLVKFPJESA-N 1 0 311.381 3.452 20 10 DGCDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000850383986 632134966 /nfs/dbraw/zinc/13/49/66/632134966.db2.gz GSTCXTMJYPKIAJ-CZUORRHYSA-N 1 0 319.836 3.280 20 10 DGCDRO Cc1ccsc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405472 632141453 /nfs/dbraw/zinc/14/14/53/632141453.db2.gz PEXDUPHRINRWSK-UHFFFAOYSA-N 1 0 316.470 3.307 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000850406726 632142471 /nfs/dbraw/zinc/14/24/71/632142471.db2.gz RHCFALUJFBTJQV-UHFFFAOYSA-N 1 0 316.470 3.307 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCOC2(C)C)ccc1OC ZINC000850409533 632142982 /nfs/dbraw/zinc/14/29/82/632142982.db2.gz WPOQYBIRHISBLX-INIZCTEOSA-N 1 0 307.434 3.136 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000850419493 632146560 /nfs/dbraw/zinc/14/65/60/632146560.db2.gz FTIIERRDEIXJNE-SCLBCKFNSA-N 1 0 302.393 3.103 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)c(O)c1 ZINC000850419404 632146886 /nfs/dbraw/zinc/14/68/86/632146886.db2.gz DKNQJEZPTADELT-SCLBCKFNSA-N 1 0 301.386 3.003 20 10 DGCDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850430154 632150239 /nfs/dbraw/zinc/15/02/39/632150239.db2.gz IVFTTYZOPPXQMY-CYBMUJFWSA-N 1 0 324.440 3.349 20 10 DGCDRO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000850431271 632150822 /nfs/dbraw/zinc/15/08/22/632150822.db2.gz VNOAFXAMWUUYGQ-GOSISDBHSA-N 1 0 310.445 3.498 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C3CCSCC3)C2)cc1 ZINC000850486827 632167677 /nfs/dbraw/zinc/16/76/77/632167677.db2.gz DHBLNYXVFKTFAJ-HOCLYGCPSA-N 1 0 320.502 3.395 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cnc(C)s3)C2)cc1 ZINC000850487630 632167762 /nfs/dbraw/zinc/16/77/62/632167762.db2.gz IQGMITYWVDROKZ-TZMCWYRMSA-N 1 0 317.458 3.390 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc(O)c3)C2)cc1 ZINC000850488926 632168428 /nfs/dbraw/zinc/16/84/28/632168428.db2.gz POUKXFWLKAFXAW-GOEBONIOSA-N 1 0 312.413 3.330 20 10 DGCDRO COC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CCOCC1 ZINC000850493430 632170877 /nfs/dbraw/zinc/17/08/77/632170877.db2.gz HLZZILOLODHXAZ-UGFHNGPFSA-N 1 0 323.408 3.111 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc2ccccc2c1O ZINC000850498775 632171447 /nfs/dbraw/zinc/17/14/47/632171447.db2.gz DAIZTWWHEIAHKX-MQIPJXDCSA-N 1 0 308.385 3.494 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(C)cc1O ZINC000850503744 632174335 /nfs/dbraw/zinc/17/43/35/632174335.db2.gz YTEHHWVWKVJTIB-OAJLEGQYSA-N 1 0 309.475 3.431 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cc(F)ccc1O ZINC000850536648 632186038 /nfs/dbraw/zinc/18/60/38/632186038.db2.gz IPGLNOJVUOKXQZ-YGRLFVJLSA-N 1 0 305.324 3.325 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000850541154 632186612 /nfs/dbraw/zinc/18/66/12/632186612.db2.gz SMIQWOOIPHODIF-YXJHDRRASA-N 1 0 313.445 3.496 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O ZINC000850556387 632192194 /nfs/dbraw/zinc/19/21/94/632192194.db2.gz KVKOPSZELDPPGB-RYUDHWBXSA-N 1 0 324.852 3.343 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O ZINC000850555418 632192241 /nfs/dbraw/zinc/19/22/41/632192241.db2.gz IFDJQNHWLGJIII-ZFWWWQNUSA-N 1 0 304.434 3.080 20 10 DGCDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567966 632196696 /nfs/dbraw/zinc/19/66/96/632196696.db2.gz MXIUSVJEZKAUJF-MOPGFXCFSA-N 1 0 302.462 3.172 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCC34CCC4)cc2)CC1 ZINC000850568352 632196780 /nfs/dbraw/zinc/19/67/80/632196780.db2.gz WCEHBBRSYGIXAU-IBGZPJMESA-N 1 0 314.473 3.460 20 10 DGCDRO CO[C@H](C[N@H+](Cc1ccccc1O)C1CCCC1)[C@H]1CCOC1 ZINC000851771898 632488845 /nfs/dbraw/zinc/48/88/45/632488845.db2.gz RDGHRRDRPPCDLB-QFBILLFUSA-N 1 0 319.445 3.188 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](OC)[C@H]1CCOC1 ZINC000852017971 632540546 /nfs/dbraw/zinc/54/05/46/632540546.db2.gz IGAGRPNJRWPKLW-FUHWJXTLSA-N 1 0 307.434 3.046 20 10 DGCDRO Cc1cc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000852499929 632612204 /nfs/dbraw/zinc/61/22/04/632612204.db2.gz CIKJBHVTVCKKCZ-IRXDYDNUSA-N 1 0 316.489 3.434 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2=CCCOC2)c1O ZINC000852518914 632616398 /nfs/dbraw/zinc/61/63/98/632616398.db2.gz RMCLAIKIDPUKDA-UHFFFAOYSA-N 1 0 309.793 3.027 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000185123433 660202635 /nfs/dbraw/zinc/20/26/35/660202635.db2.gz DXVSQYMMCZUZKR-KFWWJZLASA-N 1 0 306.450 3.172 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000185538822 660228789 /nfs/dbraw/zinc/22/87/89/660228789.db2.gz XWFKHFQTLDZSAN-VBQJREDUSA-N 1 0 303.446 3.473 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Br)ccc1O ZINC000185459925 660224525 /nfs/dbraw/zinc/22/45/25/660224525.db2.gz KTJMBRDWEDEEGR-FUPATZSFSA-N 1 0 312.207 3.125 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)Cc2ccccc2)c1 ZINC000186147605 660270374 /nfs/dbraw/zinc/27/03/74/660270374.db2.gz QHJRZWMKNJTLHB-IQUTYRLHSA-N 1 0 315.413 3.044 20 10 DGCDRO CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001004662359 660564588 /nfs/dbraw/zinc/56/45/88/660564588.db2.gz ZDNNDAKPBJQVRZ-RDJZCZTQSA-N 1 0 318.461 3.273 20 10 DGCDRO CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001004662355 660564608 /nfs/dbraw/zinc/56/46/08/660564608.db2.gz ZDNNDAKPBJQVRZ-DOTOQJQBSA-N 1 0 318.461 3.273 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000701094921 660654410 /nfs/dbraw/zinc/65/44/10/660654410.db2.gz RQHMQQPRMMFARQ-JTQLQIEISA-N 1 0 316.264 3.388 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C(C)C)CC2)cc1C ZINC001034596589 660777095 /nfs/dbraw/zinc/77/70/95/660777095.db2.gz ZQWCBUURGPUQBB-QAQDUYKDSA-N 1 0 318.461 3.177 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CC(C)C)cc1C ZINC001034841608 660797044 /nfs/dbraw/zinc/79/70/44/660797044.db2.gz BLBALWFIEFKLKE-QGZVFWFLSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C(C)(C)C)cc1C ZINC001035107971 660815044 /nfs/dbraw/zinc/81/50/44/660815044.db2.gz VSPYIPJGJOVVOI-MRXNPFEDSA-N 1 0 318.461 3.130 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCC[NH+](C)C1 ZINC000705207667 660837031 /nfs/dbraw/zinc/83/70/31/660837031.db2.gz RWZVSFVYCLDQNK-NSHDSACASA-N 1 0 317.260 3.473 20 10 DGCDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000706406731 660857069 /nfs/dbraw/zinc/85/70/69/660857069.db2.gz MAWLXPNVZJBCFV-CHWSQXEVSA-N 1 0 308.422 3.298 20 10 DGCDRO CC(C)(CCCO)C[NH2+]Cc1c(O)cccc1Br ZINC000706830487 660874075 /nfs/dbraw/zinc/87/40/75/660874075.db2.gz YJCIMFMQOMGFGJ-UHFFFAOYSA-N 1 0 316.239 3.043 20 10 DGCDRO CCC[C@@]1([NH2+]Cc2c(O)cccc2Br)CCOC1 ZINC000706835358 660874204 /nfs/dbraw/zinc/87/42/04/660874204.db2.gz VVDQPIHGYHLQDE-CQSZACIVSA-N 1 0 314.223 3.204 20 10 DGCDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000706830341 660874293 /nfs/dbraw/zinc/87/42/93/660874293.db2.gz REUSJVIUNQHWIU-JTQLQIEISA-N 1 0 316.239 3.041 20 10 DGCDRO CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001036321597 660895410 /nfs/dbraw/zinc/89/54/10/660895410.db2.gz CTRBYAHGYISEFU-DOTOQJQBSA-N 1 0 318.461 3.130 20 10 DGCDRO COC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707147013 660893520 /nfs/dbraw/zinc/89/35/20/660893520.db2.gz RUYURMBDRVLICL-LLVKDONJSA-N 1 0 314.223 3.013 20 10 DGCDRO Cc1[nH+]ccc(NCc2ccc(N(C)C)cc2)c1Br ZINC000792691604 660979751 /nfs/dbraw/zinc/97/97/51/660979751.db2.gz NWYUCTDBUZFOSO-UHFFFAOYSA-N 1 0 320.234 3.253 20 10 DGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792795307 660985097 /nfs/dbraw/zinc/98/50/97/660985097.db2.gz RVGMWWIBOYTTQQ-CQSZACIVSA-N 1 0 316.367 3.382 20 10 DGCDRO Cc1ccncc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000792921443 660993612 /nfs/dbraw/zinc/99/36/12/660993612.db2.gz NKGZAUYASBPDJR-UHFFFAOYSA-N 1 0 313.470 3.233 20 10 DGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]CC3(F)CC3)C2)cc1 ZINC000792999457 660999649 /nfs/dbraw/zinc/99/96/49/660999649.db2.gz DFDBPCZGZKXVMN-GFCCVEGCSA-N 1 0 314.351 3.349 20 10 DGCDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075317 661003670 /nfs/dbraw/zinc/00/36/70/661003670.db2.gz ZEBYKFZHAHMSLI-QWRGUYRKSA-N 1 0 304.356 3.020 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c(O)c1 ZINC000793391383 661029756 /nfs/dbraw/zinc/02/97/56/661029756.db2.gz XASZQZPYPRGTFH-HNNXBMFYSA-N 1 0 303.789 3.311 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)cc1C ZINC000793602630 661049083 /nfs/dbraw/zinc/04/90/83/661049083.db2.gz ZPAWWGRAPBKXCK-AWEZNQCLSA-N 1 0 322.449 3.397 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1ccc(C)cc1O ZINC000794795402 661105755 /nfs/dbraw/zinc/10/57/55/661105755.db2.gz SYZUJUUJCJJKDM-ROUUACIJSA-N 1 0 320.477 3.098 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(C)cc1O ZINC000794797866 661105860 /nfs/dbraw/zinc/10/58/60/661105860.db2.gz QNCIAEFSXDGYHU-KRWDZBQOSA-N 1 0 316.445 3.142 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1O ZINC000794802336 661105980 /nfs/dbraw/zinc/10/59/80/661105980.db2.gz DZWTXDVAJCKNRY-GXTWGEPZSA-N 1 0 316.367 3.378 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(C)cc1O ZINC000794802587 661106382 /nfs/dbraw/zinc/10/63/82/661106382.db2.gz GDIMKKPOLOSILB-HNNXBMFYSA-N 1 0 312.404 3.471 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)CCC(C)C)CC2)cc1 ZINC000795523199 661156602 /nfs/dbraw/zinc/15/66/02/661156602.db2.gz BMJDBKCYYWUOHN-SFHVURJKSA-N 1 0 320.477 3.004 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)cc1OC ZINC000160325899 655608154 /nfs/dbraw/zinc/60/81/54/655608154.db2.gz QKRDIAWZZUZURB-WMZOPIPTSA-N 1 0 323.433 3.045 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)cc1OC ZINC000160325710 655608236 /nfs/dbraw/zinc/60/82/36/655608236.db2.gz QKRDIAWZZUZURB-FUHWJXTLSA-N 1 0 323.433 3.045 20 10 DGCDRO COc1cc(C[NH+]2CCC(OC(C)(C)C)CC2)c(O)cc1C ZINC000160403130 655629988 /nfs/dbraw/zinc/62/99/88/655629988.db2.gz LLSDLVSZELYZOE-UHFFFAOYSA-N 1 0 307.434 3.489 20 10 DGCDRO C[N@H+](CCc1nccs1)Cc1cc2c(cc1O)CCCC2 ZINC000160481434 655644052 /nfs/dbraw/zinc/64/40/52/655644052.db2.gz HIEXCAIDWQWGCN-UHFFFAOYSA-N 1 0 302.443 3.402 20 10 DGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000307768698 655646016 /nfs/dbraw/zinc/64/60/16/655646016.db2.gz HTCNUDQREIVWKP-ZDUSSCGKSA-N 1 0 314.223 3.156 20 10 DGCDRO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)c1ccccc1 ZINC000795849979 661175905 /nfs/dbraw/zinc/17/59/05/661175905.db2.gz SAUQBMALZZTGKC-WMLDXEAASA-N 1 0 312.413 3.229 20 10 DGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccsc3)SC2=S)CC1 ZINC000255460381 655755374 /nfs/dbraw/zinc/75/53/74/655755374.db2.gz UFFSJLMKHCXAMD-XYOKQWHBSA-N 1 0 324.496 3.044 20 10 DGCDRO CNC(=O)CC1CC[NH+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000074723313 655760969 /nfs/dbraw/zinc/76/09/69/655760969.db2.gz SDFDUASCNUFAQO-UHFFFAOYSA-N 1 0 318.461 3.172 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCCc2ccccc2)cc1OC ZINC000179438600 655892752 /nfs/dbraw/zinc/89/27/52/655892752.db2.gz VNIKOUFIQHOHEW-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1Cc1ccccc1O ZINC000179578924 655909098 /nfs/dbraw/zinc/90/90/98/655909098.db2.gz JLEZCIKBEFEHNU-QGZVFWFLSA-N 1 0 310.441 3.489 20 10 DGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccccc1O ZINC000179875887 655919433 /nfs/dbraw/zinc/91/94/33/655919433.db2.gz UPVRHBPJCOKQQU-NSHDSACASA-N 1 0 304.777 3.335 20 10 DGCDRO COC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177284963 655919905 /nfs/dbraw/zinc/91/99/05/655919905.db2.gz JYVSDZRJAIAITL-GFCCVEGCSA-N 1 0 311.809 3.107 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1cc(F)ccc1O ZINC000176980947 655970778 /nfs/dbraw/zinc/97/07/78/655970778.db2.gz GQEFORNBWIUFFB-DYVFJYSZSA-N 1 0 302.393 3.485 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000168982695 656010948 /nfs/dbraw/zinc/01/09/48/656010948.db2.gz HLVKPPIYQQFPEO-KURKYZTESA-N 1 0 300.446 3.190 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716239121 661220289 /nfs/dbraw/zinc/22/02/89/661220289.db2.gz ZEPKNMXJGQZVKJ-UHFFFAOYSA-N 1 0 301.361 3.369 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000179879593 656089135 /nfs/dbraw/zinc/08/91/35/656089135.db2.gz WVBLZSHYOPDSAR-KGLIPLIRSA-N 1 0 320.433 3.442 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000180530224 656093612 /nfs/dbraw/zinc/09/36/12/656093612.db2.gz YVWYNIIELOOGCI-HNNXBMFYSA-N 1 0 320.433 3.190 20 10 DGCDRO Cc1cccc(C[NH2+]CCc2nc3c(cccc3F)n2C)c1O ZINC000181285564 656098387 /nfs/dbraw/zinc/09/83/87/656098387.db2.gz LJCJNJQNMPVKBB-UHFFFAOYSA-N 1 0 313.376 3.059 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1O ZINC000309724042 656116866 /nfs/dbraw/zinc/11/68/66/656116866.db2.gz MZVAMLSBTNOMES-QFBILLFUSA-N 1 0 310.441 3.453 20 10 DGCDRO COc1cc(C[NH+]2CCC(c3ccncc3)CC2)c(O)cc1C ZINC000191290134 656167598 /nfs/dbraw/zinc/16/75/98/656167598.db2.gz WDFNLQASTGEFSV-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO CCCC(=O)N1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC000980307257 656483778 /nfs/dbraw/zinc/48/37/78/656483778.db2.gz OGSMYVSAUWYJSE-RDJZCZTQSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](CNC(C)=O)CC2)cc1C ZINC001048594395 656521207 /nfs/dbraw/zinc/52/12/07/656521207.db2.gz XKEHKEHOGNEYFC-QAQDUYKDSA-N 1 0 318.461 3.036 20 10 DGCDRO CC(C)[NH2+]CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000320209655 656871153 /nfs/dbraw/zinc/87/11/53/656871153.db2.gz JDTKFCFFWKUWEJ-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)C1(C)C ZINC000236851376 656875569 /nfs/dbraw/zinc/87/55/69/656875569.db2.gz WLNICQRQJIHVRJ-HZPDHXFCSA-N 1 0 307.434 3.474 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)C)[C@@H](C)C2)cc1C ZINC001044472365 656928318 /nfs/dbraw/zinc/92/83/18/656928318.db2.gz URKHBPDQWSAONC-DOTOQJQBSA-N 1 0 318.461 3.129 20 10 DGCDRO CCOc1cccc(C[NH2+]CCCOc2ccccc2)c1O ZINC000236928896 656989213 /nfs/dbraw/zinc/98/92/13/656989213.db2.gz PMLOVOPBXVISMI-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CN(c1ccc(CNC(=O)CC(C)(C)[NH3+])cc1)C1CCCCC1 ZINC000237053820 657076115 /nfs/dbraw/zinc/07/61/15/657076115.db2.gz ZTSMBFVPHCAYJB-UHFFFAOYSA-N 1 0 317.477 3.199 20 10 DGCDRO CCCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001047680956 657303551 /nfs/dbraw/zinc/30/35/51/657303551.db2.gz NZWCYMMKJXMVSN-NVXWUHKLSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1 ZINC000319981729 657304096 /nfs/dbraw/zinc/30/40/96/657304096.db2.gz JRGMCEMQTDUTHG-GUYCJALGSA-N 1 0 317.433 3.363 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)c1O ZINC000237210292 657382020 /nfs/dbraw/zinc/38/20/20/657382020.db2.gz SAKNMWJWPDWXBE-RDTXWAMCSA-N 1 0 306.450 3.001 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCN2CCCCCC2)c1O ZINC000228670549 657999463 /nfs/dbraw/zinc/99/94/63/657999463.db2.gz MNULXCFWLKZSPQ-UHFFFAOYSA-N 1 0 312.841 3.020 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c1 ZINC000305785740 658045475 /nfs/dbraw/zinc/04/54/75/658045475.db2.gz XTURPCWJLGMZNP-QLJPJBMISA-N 1 0 323.339 3.063 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cc(F)ccc1O ZINC000321682552 658290687 /nfs/dbraw/zinc/29/06/87/658290687.db2.gz NFKCOWZDPQATNI-GFCCVEGCSA-N 1 0 322.424 3.219 20 10 DGCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C=C(C)C)CC2)cc1C ZINC000989886540 658618180 /nfs/dbraw/zinc/61/81/80/658618180.db2.gz IXNUEZMAPKUQOZ-UHFFFAOYSA-N 1 0 316.445 3.050 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCOC1 ZINC000163621908 658882289 /nfs/dbraw/zinc/88/22/89/658882289.db2.gz XCOXOQSGRFMOFT-SJLPKXTDSA-N 1 0 320.502 3.145 20 10 DGCDRO COc1cc(C[N@@H+]2CCOC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000164010393 658912402 /nfs/dbraw/zinc/91/24/02/658912402.db2.gz VJKYUINENXMODH-UHFFFAOYSA-N 1 0 307.434 3.309 20 10 DGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164231848 658923039 /nfs/dbraw/zinc/92/30/39/658923039.db2.gz KPJBCVNIGDSAFI-INIZCTEOSA-N 1 0 318.461 3.137 20 10 DGCDRO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000156472273 658923856 /nfs/dbraw/zinc/92/38/56/658923856.db2.gz SXCZBSKIFRUQQB-UHFFFAOYSA-N 1 0 314.477 3.243 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000164461096 658935576 /nfs/dbraw/zinc/93/55/76/658935576.db2.gz LRBOCKOYFBKFDB-QFIPXVFZSA-N 1 0 317.454 3.378 20 10 DGCDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000165119020 658967284 /nfs/dbraw/zinc/96/72/84/658967284.db2.gz ZXQOSRWRJLIZIW-MRXNPFEDSA-N 1 0 318.461 3.124 20 10 DGCDRO C[C@H](Cc1ccco1)[NH2+]Cc1cc(Br)ccc1O ZINC000226036475 659090979 /nfs/dbraw/zinc/09/09/79/659090979.db2.gz MNMQRJZNYUFKKN-SNVBAGLBSA-N 1 0 310.191 3.469 20 10 DGCDRO [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]21 ZINC000230126144 659313539 /nfs/dbraw/zinc/31/35/39/659313539.db2.gz KPPIOEMCUDJPDM-LJWDBELGSA-N 1 0 315.244 3.258 20 10 DGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000237537661 659904628 /nfs/dbraw/zinc/90/46/28/659904628.db2.gz ZUMAIONWXZOCMS-SOLBZPMBSA-N 1 0 302.462 3.438 20 10 DGCDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)c1ccccc1 ZINC000179566913 659933890 /nfs/dbraw/zinc/93/38/90/659933890.db2.gz MDIWJHYUMHKNBN-INIZCTEOSA-N 1 0 324.424 3.034 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)CCCOc2ccccc2)c1 ZINC000179761395 659940538 /nfs/dbraw/zinc/94/05/38/659940538.db2.gz RAQFVMCEDFXHMK-UHFFFAOYSA-N 1 0 301.386 3.302 20 10 DGCDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3cc(F)ccc3O)C2)CC1 ZINC000180001327 659949364 /nfs/dbraw/zinc/94/93/64/659949364.db2.gz VXJMLLBJPZWCBY-INIZCTEOSA-N 1 0 320.452 3.475 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1 ZINC000068973690 659970980 /nfs/dbraw/zinc/97/09/80/659970980.db2.gz BGKYKXYVSIHNFQ-QGZVFWFLSA-N 1 0 315.413 3.044 20 10 DGCDRO Cc1csc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000069168518 659978294 /nfs/dbraw/zinc/97/82/94/659978294.db2.gz RAPUAQXTXWTPHX-AWEZNQCLSA-N 1 0 317.458 3.139 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c1 ZINC000181100174 659980538 /nfs/dbraw/zinc/98/05/38/659980538.db2.gz MOJYNGSAQLCCID-MRXNPFEDSA-N 1 0 305.418 3.256 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1O ZINC000181523826 660005769 /nfs/dbraw/zinc/00/57/69/660005769.db2.gz OMKWDYPFEOSQGY-MRXNPFEDSA-N 1 0 300.402 3.220 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(C)cc2)c1 ZINC000182317452 660042076 /nfs/dbraw/zinc/04/20/76/660042076.db2.gz KDCDXFOPWCFHGU-CQSZACIVSA-N 1 0 301.386 3.439 20 10 DGCDRO CCC(CC)[C@H](C[NH2+][C@H](C)c1ccccc1O)N1CCOCC1 ZINC000183406669 660110220 /nfs/dbraw/zinc/11/02/20/660110220.db2.gz DREGTUQBPUZIAD-QAPCUYQASA-N 1 0 320.477 3.180 20 10 DGCDRO CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC000995338566 660183884 /nfs/dbraw/zinc/18/38/84/660183884.db2.gz HSEZQFVYBGCYRN-KRWDZBQOSA-N 1 0 318.461 3.130 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC(c3ccn(C)n3)CC2)cc1 ZINC000932141455 661541729 /nfs/dbraw/zinc/54/17/29/661541729.db2.gz BUPCKWFYLOJWMR-UHFFFAOYSA-N 1 0 312.461 3.256 20 10 DGCDRO CC[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000155576821 661849530 /nfs/dbraw/zinc/84/95/30/661849530.db2.gz JZOWFOSOSFQUED-CQSZACIVSA-N 1 0 308.422 3.300 20 10 DGCDRO C[C@H]([NH2+]CCc1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155949005 661855653 /nfs/dbraw/zinc/85/56/53/661855653.db2.gz UNGAOZUVOOMGOX-AWEZNQCLSA-N 1 0 318.392 3.149 20 10 DGCDRO CCC[C@@H](C)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000187724637 661903134 /nfs/dbraw/zinc/90/31/34/661903134.db2.gz PLMQBFWXQGFUMF-CQSZACIVSA-N 1 0 322.449 3.023 20 10 DGCDRO CCOC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(C)C ZINC000188002840 661911442 /nfs/dbraw/zinc/91/14/42/661911442.db2.gz TXIYPQLQGNYLJS-ZDUSSCGKSA-N 1 0 301.814 3.205 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c1O ZINC000188038484 661912111 /nfs/dbraw/zinc/91/21/11/661912111.db2.gz RTRVCERRJMTZTR-GOSISDBHSA-N 1 0 307.434 3.164 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc2ccccc2c1O ZINC000189146797 661965948 /nfs/dbraw/zinc/96/59/48/661965948.db2.gz OVLFKEPSQDVXGK-NEPJUHHUSA-N 1 0 323.400 3.279 20 10 DGCDRO Cn1c2ccccc2nc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000076272610 661976471 /nfs/dbraw/zinc/97/64/71/661976471.db2.gz UAMYNCGNUWJJEH-UHFFFAOYSA-N 1 0 301.777 3.222 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC000191149989 662055407 /nfs/dbraw/zinc/05/54/07/662055407.db2.gz AVZBQCWVBHFWRX-UHFFFAOYSA-N 1 0 312.461 3.236 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000191587817 662073096 /nfs/dbraw/zinc/07/30/96/662073096.db2.gz HEDKTUSMSQFQRF-VQIMIIECSA-N 1 0 312.457 3.315 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000191606146 662074374 /nfs/dbraw/zinc/07/43/74/662074374.db2.gz JDRJLHPNSRDGQT-QFBILLFUSA-N 1 0 312.457 3.315 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000192684040 662107942 /nfs/dbraw/zinc/10/79/42/662107942.db2.gz GJDQTORADVOZTP-QWHCGFSZSA-N 1 0 308.422 3.264 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000192680158 662107978 /nfs/dbraw/zinc/10/79/78/662107978.db2.gz HDAINPULHMFXTC-CHWSQXEVSA-N 1 0 308.422 3.264 20 10 DGCDRO C[N@H+](Cc1cc2ccccc2o1)Cc1cc2c(cc1O)OCO2 ZINC000083114030 662193769 /nfs/dbraw/zinc/19/37/69/662193769.db2.gz BIXNTGVJYULEMJ-UHFFFAOYSA-N 1 0 311.337 3.499 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000037648206 662203630 /nfs/dbraw/zinc/20/36/30/662203630.db2.gz NCHPPDPEBUABAB-SNVBAGLBSA-N 1 0 322.758 3.019 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)CCOCc2ccccc2)c1 ZINC000091937098 662325089 /nfs/dbraw/zinc/32/50/89/662325089.db2.gz ONAWSTJHIXIKEG-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO CCOc1ccc(O)c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000092219114 662328691 /nfs/dbraw/zinc/32/86/91/662328691.db2.gz QEQSRXRCSYJQGF-QGZVFWFLSA-N 1 0 318.461 3.241 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000248497389 662349972 /nfs/dbraw/zinc/34/99/72/662349972.db2.gz LTINEIPKWMNXIG-ZNMIVQPWSA-N 1 0 306.450 3.172 20 10 DGCDRO OCCCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000093383027 662353540 /nfs/dbraw/zinc/35/35/40/662353540.db2.gz JNJRUACXVNVXGJ-UHFFFAOYSA-N 1 0 302.462 3.414 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1F ZINC000093820231 662360514 /nfs/dbraw/zinc/36/05/14/662360514.db2.gz DDMWTPOTXPIJDX-SFHVURJKSA-N 1 0 306.425 3.284 20 10 DGCDRO COc1ccc(C[NH2+]C2CCN(C(=O)CC(C)C)CC2)cc1C ZINC000062256908 685051758 /nfs/dbraw/zinc/05/17/58/685051758.db2.gz HZWBOFVOSJICBK-UHFFFAOYSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccsc1)c1ccc(N2CCOCC2)cc1 ZINC000065430054 685054571 /nfs/dbraw/zinc/05/45/71/685054571.db2.gz CCZSYXMKTHKQTM-CQSZACIVSA-N 1 0 302.443 3.436 20 10 DGCDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000389854504 685197685 /nfs/dbraw/zinc/19/76/85/685197685.db2.gz YNSWJNCBMVAJPH-MNEFBYGVSA-N 1 0 322.452 3.490 20 10 DGCDRO C[C@H]1[C@@H](NC(=O)Nc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000393845031 685219160 /nfs/dbraw/zinc/21/91/60/685219160.db2.gz CLTXCVYNUUYLAO-KSSFIOAISA-N 1 0 324.428 3.053 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CS1 ZINC000397924540 685233117 /nfs/dbraw/zinc/23/31/17/685233117.db2.gz JIRFADWGGOSVKI-KWQFWETISA-N 1 0 302.237 3.138 20 10 DGCDRO C[C@@H]1CSc2ccccc2N(C(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC001576862086 1191871680 /nfs/dbraw/zinc/87/16/80/1191871680.db2.gz KFZRTLSSSHTGIQ-MATWNZDUSA-N 1 0 316.470 3.317 20 10 DGCDRO CC[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)(C)C ZINC001577041432 1191881708 /nfs/dbraw/zinc/88/17/08/1191881708.db2.gz LPVIEINLBMBYLK-NVXWUHKLSA-N 1 0 319.493 3.331 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@H](c3cn[nH]n3)CC2)cc1Cl ZINC001577349006 1191895141 /nfs/dbraw/zinc/89/51/41/1191895141.db2.gz XGBGAEJGMKPFIF-AULYBMBSSA-N 1 0 320.824 3.288 20 10 DGCDRO CCN(CC)c1ccc(CNc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1 ZINC001577699653 1191913005 /nfs/dbraw/zinc/91/30/05/1191913005.db2.gz PZOPZKAUQHDZKZ-QGZVFWFLSA-N 1 0 324.472 3.356 20 10 DGCDRO COc1cccc(N(CC(C)C)C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c1 ZINC001579280238 1191971720 /nfs/dbraw/zinc/97/17/20/1191971720.db2.gz GCKOFQFZACRRSJ-SCOAYWHSSA-N 1 0 316.445 3.240 20 10 DGCDRO Cn1cc(C[NH2+]CCc2ccc(N)cc2)c(-c2ccc(F)cc2)n1 ZINC001579963872 1192000998 /nfs/dbraw/zinc/00/09/98/1192000998.db2.gz AMYGQUITCDPXBJ-UHFFFAOYSA-N 1 0 324.403 3.141 20 10 DGCDRO Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1O)CCO2 ZINC001580451817 1192027810 /nfs/dbraw/zinc/02/78/10/1192027810.db2.gz DTKIAQMGEXWFIZ-UHFFFAOYSA-N 1 0 304.777 3.022 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC001621346266 1192088512 /nfs/dbraw/zinc/08/85/12/1192088512.db2.gz TUFHUFLYYJBCRI-RBUKOAKNSA-N 1 0 306.494 3.440 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC001620824878 1192206000 /nfs/dbraw/zinc/20/60/00/1192206000.db2.gz UFQPKXDWAZJBJR-SFHVURJKSA-N 1 0 317.502 3.014 20 10 DGCDRO CC[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001691768225 1176089424 /nfs/dbraw/zinc/08/94/24/1176089424.db2.gz PTHBXSZXTHUDHU-JQFCIGGWSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)=C2CCC2)cc1C ZINC001752870435 1177366137 /nfs/dbraw/zinc/36/61/37/1177366137.db2.gz WEPQXPVJVNMESS-AWEZNQCLSA-N 1 0 316.445 3.098 20 10 DGCDRO CCC[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181751544 1177815236 /nfs/dbraw/zinc/81/52/36/1177815236.db2.gz YRJKGKWLEITVPN-WMLDXEAASA-N 1 0 318.461 3.130 20 10 DGCDRO COCCOCCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000387568055 1177898103 /nfs/dbraw/zinc/89/81/03/1177898103.db2.gz IZMNAKUUUFKBRN-HUUCEWRRSA-N 1 0 307.434 3.282 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)cc1F ZINC001331273130 1178171246 /nfs/dbraw/zinc/17/12/46/1178171246.db2.gz VQRDPKLDDPQBNF-DLBZAZTESA-N 1 0 312.404 3.062 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC001331382487 1178200494 /nfs/dbraw/zinc/20/04/94/1178200494.db2.gz LAQRSANQEFQPKX-QHSOUUPTSA-N 1 0 311.372 3.387 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC001331382488 1178201314 /nfs/dbraw/zinc/20/13/14/1178201314.db2.gz LAQRSANQEFQPKX-YMEQNVIZSA-N 1 0 311.372 3.387 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC001331961680 1178320791 /nfs/dbraw/zinc/32/07/91/1178320791.db2.gz ZFEUFWIYBXBCFQ-IEBWSBKVSA-N 1 0 300.446 3.288 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC001332329132 1178421304 /nfs/dbraw/zinc/42/13/04/1178421304.db2.gz FHRQSNPZNIROAM-GOSISDBHSA-N 1 0 300.446 3.478 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ncc(C)s2)c(O)c1OC ZINC001334198964 1178734637 /nfs/dbraw/zinc/73/46/37/1178734637.db2.gz UUCVSCQXMVDFFV-JTQLQIEISA-N 1 0 308.403 3.025 20 10 DGCDRO CCOc1ccc2c(c1)C[N@@H+](Cc1c(O)cccc1OC)CC2 ZINC001341555204 1179027691 /nfs/dbraw/zinc/02/76/91/1179027691.db2.gz ZSUZOTVYHDUIAQ-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO CN(C)c1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC001341793029 1179062853 /nfs/dbraw/zinc/06/28/53/1179062853.db2.gz IEMWHBUPROAVRF-UHFFFAOYSA-N 1 0 304.821 3.444 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCC[C@H]1O ZINC001341944716 1179082730 /nfs/dbraw/zinc/08/27/30/1179082730.db2.gz KPYFMDXQPHOADB-IEBWSBKVSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(N(C)C)nc1 ZINC001342388622 1179136630 /nfs/dbraw/zinc/13/66/30/1179136630.db2.gz AVLONFOVPBQYDZ-DZGCQCFKSA-N 1 0 311.429 3.500 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)Cc2cccs2)c(O)c1OC ZINC001342960757 1179216892 /nfs/dbraw/zinc/21/68/92/1179216892.db2.gz NGPDYKPZTZWZSI-LBPRGKRZSA-N 1 0 321.442 3.439 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)N2CCC[C@@H](C)C2)c(O)c1 ZINC001343914571 1179349322 /nfs/dbraw/zinc/34/93/22/1179349322.db2.gz BLJGNHDPTAJGLS-CZUORRHYSA-N 1 0 318.461 3.308 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2Cc3ccccc3O2)cc1 ZINC001200161901 1180418239 /nfs/dbraw/zinc/41/82/39/1180418239.db2.gz QXKGMEFZYAZOPK-UEKDZROGSA-N 1 0 308.425 3.359 20 10 DGCDRO CC(C)C[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001439960258 1182023424 /nfs/dbraw/zinc/02/34/24/1182023424.db2.gz LFTAGNYPXGXCMA-YJBOKZPZSA-N 1 0 319.493 3.154 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001461682055 1182842285 /nfs/dbraw/zinc/84/22/85/1182842285.db2.gz IIJJXTJCPLCRDG-HWWQOWPSSA-N 1 0 307.434 3.354 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C ZINC001461780201 1182853503 /nfs/dbraw/zinc/85/35/03/1182853503.db2.gz ZHSSTZJTBGAPNZ-AWEZNQCLSA-N 1 0 324.440 3.349 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H]1CCOCC13CCCC3)CCCO2 ZINC001461823301 1182861867 /nfs/dbraw/zinc/86/18/67/1182861867.db2.gz WOMIWDDCYMMWTE-SFHVURJKSA-N 1 0 301.430 3.451 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001461914811 1182874068 /nfs/dbraw/zinc/87/40/68/1182874068.db2.gz QZBRAJRNYQLJBG-INIZCTEOSA-N 1 0 318.461 3.225 20 10 DGCDRO C[C@@H]1CN(Cc2cc(F)ccc2O)CC[N@@H+]1Cc1ccccc1 ZINC001462337674 1182941730 /nfs/dbraw/zinc/94/17/30/1182941730.db2.gz FKMLDASNAANUEY-OAHLLOKOSA-N 1 0 314.404 3.238 20 10 DGCDRO COc1ncc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC001462357118 1182942583 /nfs/dbraw/zinc/94/25/83/1182942583.db2.gz RGOSPYMZTBRWQL-ZDUSSCGKSA-N 1 0 319.474 3.247 20 10 DGCDRO COCCN1[C@H](C)C[N@@H+](Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001462385439 1182945610 /nfs/dbraw/zinc/94/56/10/1182945610.db2.gz ZDPAMHWWTIEYDN-IYBDPMFKSA-N 1 0 320.477 3.057 20 10 DGCDRO Cc1ccc(C[N@H+]2CC[C@@H](N(C)CCc3ccccc3)C2)c(O)c1 ZINC001462410296 1182949555 /nfs/dbraw/zinc/94/95/55/1182949555.db2.gz CFRUKPJHTXJEPS-HXUWFJFHSA-N 1 0 324.468 3.449 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001462470520 1182957624 /nfs/dbraw/zinc/95/76/24/1182957624.db2.gz KDHUUERKMUOROP-BGYRXZFFSA-N 1 0 314.473 3.454 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@]2(CCOC2)O1)c1ccc(N(C)C)cc1 ZINC001473401146 1183752470 /nfs/dbraw/zinc/75/24/70/1183752470.db2.gz ZAMOGFVNOXLMPK-IPELMVKDSA-N 1 0 318.461 3.131 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1ccccc1O ZINC001473723436 1183793385 /nfs/dbraw/zinc/79/33/85/1183793385.db2.gz GOQMAVKHKNXDHD-SNVBAGLBSA-N 1 0 322.767 3.474 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)c1c[nH]c2ncccc12 ZINC001473723722 1183793440 /nfs/dbraw/zinc/79/34/40/1183793440.db2.gz JHYMFZXPVSFJBN-RYUDHWBXSA-N 1 0 309.369 3.191 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1C ZINC001474047094 1183858165 /nfs/dbraw/zinc/85/81/65/1183858165.db2.gz RDQWESRYVXELRD-UHFFFAOYSA-N 1 0 313.323 3.052 20 10 DGCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001474070105 1183861360 /nfs/dbraw/zinc/86/13/60/1183861360.db2.gz DZTYSYZKRMHOEH-SJLPKXTDSA-N 1 0 319.468 3.246 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(N(C)C)cc1 ZINC001474116798 1183870632 /nfs/dbraw/zinc/87/06/32/1183870632.db2.gz HAYJVTHDECRTLR-RRQGHBQHSA-N 1 0 322.424 3.037 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C(=O)OC(C)(C)C ZINC001474194479 1183880176 /nfs/dbraw/zinc/88/01/76/1183880176.db2.gz PZQFNVSVGWATDY-CYBMUJFWSA-N 1 0 305.418 3.079 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)O1 ZINC001474233559 1183886641 /nfs/dbraw/zinc/88/66/41/1183886641.db2.gz CKYFVEMDGIRUMO-JRPNMDOOSA-N 1 0 316.367 3.427 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2C[C@]2(C)Br)cc1 ZINC001474307436 1183902618 /nfs/dbraw/zinc/90/26/18/1183902618.db2.gz LXNVTJNSUGXOEJ-ZFWWWQNUSA-N 1 0 311.267 3.358 20 10 DGCDRO CCCCC[N@H+](CCO)Cc1ccc(Br)cc1O ZINC001474414055 1183917596 /nfs/dbraw/zinc/91/75/96/1183917596.db2.gz LERRVCRIBZFVFZ-UHFFFAOYSA-N 1 0 316.239 3.139 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC001474465252 1183925511 /nfs/dbraw/zinc/92/55/11/1183925511.db2.gz LZMYSKAHSGHNNY-UHFFFAOYSA-N 1 0 314.433 3.019 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c(O)c1 ZINC001474497817 1183932098 /nfs/dbraw/zinc/93/20/98/1183932098.db2.gz WMXFRKNGLHMGOS-OXQOHEQNSA-N 1 0 313.441 3.420 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c(O)c1 ZINC001474582370 1183944806 /nfs/dbraw/zinc/94/48/06/1183944806.db2.gz IOJAPAIWXQXMER-SFHVURJKSA-N 1 0 319.445 3.346 20 10 DGCDRO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1F ZINC001474611735 1183949264 /nfs/dbraw/zinc/94/92/64/1183949264.db2.gz PXAWDZTTZRMBIG-QLJPJBMISA-N 1 0 309.768 3.396 20 10 DGCDRO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001474648911 1183956131 /nfs/dbraw/zinc/95/61/31/1183956131.db2.gz SZIVSDKLEKGQEL-UHFFFAOYSA-N 1 0 319.836 3.364 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]Cc2nc3c(s2)COCC3)c1 ZINC001474718707 1183967489 /nfs/dbraw/zinc/96/74/89/1183967489.db2.gz OZTOUTCOYLKAIU-UHFFFAOYSA-N 1 0 318.442 3.335 20 10 DGCDRO C[C@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[NH+](C)C ZINC001542411856 1188284585 /nfs/dbraw/zinc/28/45/85/1188284585.db2.gz CGNCHXMNSPGWHF-OAHLLOKOSA-N 1 0 317.477 3.022 20 10 DGCDRO CC(C)[N@H+](CC(=O)NCC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC001559492124 1189209938 /nfs/dbraw/zinc/20/99/38/1189209938.db2.gz FTHOOAWGTYNIDU-UHFFFAOYSA-N 1 0 319.493 3.125 20 10 DGCDRO CC[C@H](C)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001560083132 1189276040 /nfs/dbraw/zinc/27/60/40/1189276040.db2.gz QLLKUKIRFWWIPD-LSDHHAIUSA-N 1 0 306.450 3.260 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCC[C@H](C)C1 ZINC001560265711 1189302056 /nfs/dbraw/zinc/30/20/56/1189302056.db2.gz BDNWLVFDYKMIML-LSDHHAIUSA-N 1 0 307.457 3.102 20 10 DGCDRO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001560364850 1189318730 /nfs/dbraw/zinc/31/87/30/1189318730.db2.gz AAESJBRPKQMIQI-KRWDZBQOSA-N 1 0 316.470 3.480 20 10 DGCDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001560598242 1189346618 /nfs/dbraw/zinc/34/66/18/1189346618.db2.gz SEBPUJZLJVXDIG-OXJNMPFZSA-N 1 0 322.452 3.374 20 10 DGCDRO O[C@H]1CCCC[C@H]1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001560604681 1189347292 /nfs/dbraw/zinc/34/72/92/1189347292.db2.gz JITVSNHPFGWAOO-HKUYNNGSSA-N 1 0 302.462 3.318 20 10 DGCDRO Cc1ccc(C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)c(O)c1 ZINC001560633139 1189352525 /nfs/dbraw/zinc/35/25/25/1189352525.db2.gz KBNIQYLKHKXHMC-IBGZPJMESA-N 1 0 310.441 3.407 20 10 DGCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560630472 1189353205 /nfs/dbraw/zinc/35/32/05/1189353205.db2.gz XYZPRQBSHUNFQB-INIZCTEOSA-N 1 0 318.461 3.254 20 10 DGCDRO CCOCCO[C@H]1CC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560640881 1189353616 /nfs/dbraw/zinc/35/36/16/1189353616.db2.gz YEEVFUYJOWONPT-KRWDZBQOSA-N 1 0 307.434 3.143 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H](C)c2nc(C)cs2)c(O)c1 ZINC001560737436 1189371476 /nfs/dbraw/zinc/37/14/76/1189371476.db2.gz AZYUETYUXISCAT-LLVKDONJSA-N 1 0 306.431 3.367 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2ccc(SC)cc2)cc1OC ZINC001560768261 1189377040 /nfs/dbraw/zinc/37/70/40/1189377040.db2.gz USLTYNRPLYUDQB-UHFFFAOYSA-N 1 0 319.426 3.421 20 10 DGCDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CC=CCC1 ZINC001560896523 1189401852 /nfs/dbraw/zinc/40/18/52/1189401852.db2.gz BGTLFWHWSRQALS-OAHLLOKOSA-N 1 0 303.402 3.114 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC001561042502 1189424950 /nfs/dbraw/zinc/42/49/50/1189424950.db2.gz CDJHTBUBEYVTOB-HZPDHXFCSA-N 1 0 319.445 3.348 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC001561042503 1189425615 /nfs/dbraw/zinc/42/56/15/1189425615.db2.gz CDJHTBUBEYVTOB-JKSUJKDBSA-N 1 0 319.445 3.348 20 10 DGCDRO CC[C@@H](CNC(=O)[C@@H]1CC1(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567956972 1190376257 /nfs/dbraw/zinc/37/62/57/1190376257.db2.gz ZLPZJJCZEYDBIE-HOTGVXAUSA-N 1 0 318.461 3.034 20 10 DGCDRO CCC[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001568263246 1190466512 /nfs/dbraw/zinc/46/65/12/1190466512.db2.gz VNUFFXZUHIQQCI-ZBFHGGJFSA-N 1 0 320.477 3.376 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](NC(C)=O)C2CCCCC2)cc1C ZINC001568340506 1190497144 /nfs/dbraw/zinc/49/71/44/1190497144.db2.gz RDZPERMKCPDTDX-GOSISDBHSA-N 1 0 318.461 3.178 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCc1cn2ccccc2n1 ZINC001620711288 1193793856 /nfs/dbraw/zinc/79/38/56/1193793856.db2.gz FYAHMWAHULUSAT-UHFFFAOYSA-N 1 0 318.424 3.467 20 10 DGCDRO CC(C)[C@H](CNCc1ccc(N(C)C)c(F)c1)[NH+]1CCCC1 ZINC001620713150 1193794498 /nfs/dbraw/zinc/79/44/98/1193794498.db2.gz VEDHOJZVUCPMSI-SFHVURJKSA-N 1 0 307.457 3.102 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cc1F ZINC001621087441 1193800248 /nfs/dbraw/zinc/80/02/48/1193800248.db2.gz MBHSFOFALUBTDT-DYVFJYSZSA-N 1 0 310.388 3.078 20 10 DGCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001621114675 1193804877 /nfs/dbraw/zinc/80/48/77/1193804877.db2.gz QVFJEIWSNOEESB-WBVHZDCISA-N 1 0 318.461 3.217 20 10 DGCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001621114673 1193805258 /nfs/dbraw/zinc/80/52/58/1193805258.db2.gz QVFJEIWSNOEESB-NVXWUHKLSA-N 1 0 318.461 3.217 20 10 DGCDRO COc1c([O-])c(C[N@H+](C)[C@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001621323382 1193830681 /nfs/dbraw/zinc/83/06/81/1193830681.db2.gz CCVQKDYAMRMRBF-AAEUAGOBSA-N 1 0 308.378 3.320 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC001621358510 1193833148 /nfs/dbraw/zinc/83/31/48/1193833148.db2.gz BVDHYECXHBCQJE-SFHVURJKSA-N 1 0 317.404 3.348 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC001621408996 1193838436 /nfs/dbraw/zinc/83/84/36/1193838436.db2.gz OAENXTUKOYSXOW-JSGCOSHPSA-N 1 0 323.408 3.331 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccn2C(F)F)cc1 ZINC001621423646 1193840725 /nfs/dbraw/zinc/84/07/25/1193840725.db2.gz APYOXENOMHUVNR-UHFFFAOYSA-N 1 0 323.387 3.460 20 10 DGCDRO CC(C)O[C@@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001621424833 1193841069 /nfs/dbraw/zinc/84/10/69/1193841069.db2.gz GMGGNPYTIRWUJR-CQSZACIVSA-N 1 0 312.404 3.420 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]CCc3ccc(C)cc3)C2)cc1 ZINC001621435104 1193842698 /nfs/dbraw/zinc/84/26/98/1193842698.db2.gz PVEUENIVFSBGRU-SFHVURJKSA-N 1 0 310.441 3.415 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001621457922 1193845563 /nfs/dbraw/zinc/84/55/63/1193845563.db2.gz QZFQSDHIRLUWDT-UHFFFAOYSA-N 1 0 311.259 3.143 20 10 DGCDRO CCOC(=O)C(CC)(CC)C[NH2+]Cc1c(C)cc(OC)cc1O ZINC001621468382 1193846564 /nfs/dbraw/zinc/84/65/64/1193846564.db2.gz MSPPDHOSAYENAP-UHFFFAOYSA-N 1 0 323.433 3.168 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)N(C)C)cc1 ZINC001621557133 1193858493 /nfs/dbraw/zinc/85/84/93/1193858493.db2.gz AVKPPTZPSWRCMO-QRVBRYPASA-N 1 0 301.478 3.134 20 10 DGCDRO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001633315054 1194430983 /nfs/dbraw/zinc/43/09/83/1194430983.db2.gz CXUDOHRQHCJUML-DOTOQJQBSA-N 1 0 317.477 3.052 20 10 DGCDRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001633315056 1194431436 /nfs/dbraw/zinc/43/14/36/1194431436.db2.gz CXUDOHRQHCJUML-RDJZCZTQSA-N 1 0 317.477 3.052 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)[C@H](CO)Cc2ccccc2)cc1 ZINC001643796522 1195054438 /nfs/dbraw/zinc/05/44/38/1195054438.db2.gz OKMGPVABJIIMGD-FQEVSTJZSA-N 1 0 312.457 3.178 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1 ZINC001643956058 1195067111 /nfs/dbraw/zinc/06/71/11/1195067111.db2.gz VHTWDPSOPSHXKV-LJQANCHMSA-N 1 0 318.461 3.449 20 10 DGCDRO COc1ccc(O[C@@H](C)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001647035901 1195241541 /nfs/dbraw/zinc/24/15/41/1195241541.db2.gz MZEWLAJGWFIUQP-AWEZNQCLSA-N 1 0 313.397 3.187 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1C ZINC001651070847 1195410162 /nfs/dbraw/zinc/41/01/62/1195410162.db2.gz HASJZFZIXIRTJB-SJLPKXTDSA-N 1 0 323.477 3.031 20 10 DGCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001651194724 1195426012 /nfs/dbraw/zinc/42/60/12/1195426012.db2.gz WDVMMBNDQYUNGB-DZGCQCFKSA-N 1 0 324.415 3.470 20 10 DGCDRO COc1ccc(C[NH2+]C[C@]2(C)CC2(C)C)cc1Cn1cccn1 ZINC001651486935 1195469038 /nfs/dbraw/zinc/46/90/38/1195469038.db2.gz PSZXFIWMTXRXNL-IBGZPJMESA-N 1 0 313.445 3.466 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3oc(=O)[nH]c3c2)c(Cl)c1 ZINC001651520056 1195475173 /nfs/dbraw/zinc/47/51/73/1195475173.db2.gz FBKRXFFMIFJRQF-UHFFFAOYSA-N 1 0 318.760 3.491 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)c1O ZINC001652024677 1195537468 /nfs/dbraw/zinc/53/74/68/1195537468.db2.gz IJLZKTXCGHWJRI-LTCLLZNKSA-N 1 0 319.445 3.366 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(Cl)cc1O ZINC001652182532 1195558626 /nfs/dbraw/zinc/55/86/26/1195558626.db2.gz YUOXBTGAHHLWSI-CQSZACIVSA-N 1 0 309.793 3.376 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3scnc3c2)c(O)c1 ZINC001652296091 1195577277 /nfs/dbraw/zinc/57/72/77/1195577277.db2.gz WIOKATUYHSUYHF-UHFFFAOYSA-N 1 0 300.383 3.300 20 10 DGCDRO CCn1cnc(Cl)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC001652758835 1195647676 /nfs/dbraw/zinc/64/76/76/1195647676.db2.gz FPSBHHQBNHUNDQ-UHFFFAOYSA-N 1 0 300.189 3.205 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC001652847276 1195660012 /nfs/dbraw/zinc/66/00/12/1195660012.db2.gz UXXZKFLPKKWLEM-CQSZACIVSA-N 1 0 307.752 3.278 20 10 DGCDRO COc1ccc(N2CC[NH+](CC[C@@H]3C[C@H]3C3CC3)CC2)cc1F ZINC001652873139 1195665153 /nfs/dbraw/zinc/66/51/53/1195665153.db2.gz CNEVACUDRVANIJ-WBVHZDCISA-N 1 0 318.436 3.393 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC(C)(C)CO2)c1O ZINC001653025450 1195681551 /nfs/dbraw/zinc/68/15/51/1195681551.db2.gz AWZNHJZZFMLKBL-ZDUSSCGKSA-N 1 0 313.825 3.349 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)N(C)C)cc1 ZINC001653221789 1195700765 /nfs/dbraw/zinc/70/07/65/1195700765.db2.gz BIKYCRHUNJMKFM-XGXHKWSGSA-N 1 0 301.478 3.134 20 10 DGCDRO CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1O)[NH+]1CCCCC1 ZINC001653563924 1195734642 /nfs/dbraw/zinc/73/46/42/1195734642.db2.gz SJINCDQZEHIFCN-HNNXBMFYSA-N 1 0 324.852 3.172 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001653841225 1195754245 /nfs/dbraw/zinc/75/42/45/1195754245.db2.gz XOHJRPLEAGSBRE-BJWYYQGGSA-N 1 0 300.446 3.253 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@H](CC(C)C)OC)CC2)cc1 ZINC001653840648 1195754711 /nfs/dbraw/zinc/75/47/11/1195754711.db2.gz LQJZXIYKOMOFSW-IBGZPJMESA-N 1 0 320.477 3.268 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1c(F)cccc1F ZINC001655349829 1195906829 /nfs/dbraw/zinc/90/68/29/1195906829.db2.gz VBBPRCSMGRMUIS-QWRGUYRKSA-N 1 0 320.339 3.348 20 10 DGCDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001655774378 1195961640 /nfs/dbraw/zinc/96/16/40/1195961640.db2.gz NPAGILDNZFOXNQ-KRWDZBQOSA-N 1 0 302.393 3.023 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)C2CCCCC2)cc1F ZINC001656609498 1196054897 /nfs/dbraw/zinc/05/48/97/1196054897.db2.gz OYZGTYQRELBYOX-INIZCTEOSA-N 1 0 312.404 3.062 20 10 DGCDRO c1c(CC[NH2+]Cc2ccc(N3CCCC3)cc2)nc2ccccn12 ZINC001656719459 1196064937 /nfs/dbraw/zinc/06/49/37/1196064937.db2.gz KZCUYLMGEMDJAD-UHFFFAOYSA-N 1 0 320.440 3.267 20 10 DGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001656750117 1196067913 /nfs/dbraw/zinc/06/79/13/1196067913.db2.gz QULPYMKFYAZALE-WBVHZDCISA-N 1 0 319.468 3.246 20 10 DGCDRO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001656903923 1196081509 /nfs/dbraw/zinc/08/15/09/1196081509.db2.gz AWWJKSHMHAOLRU-FQEVSTJZSA-N 1 0 324.468 3.274 20 10 DGCDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657204395 1196117997 /nfs/dbraw/zinc/11/79/97/1196117997.db2.gz PDJHDRPRTJWARJ-HNAYVOBHSA-N 1 0 311.425 3.266 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC001657410549 1196138288 /nfs/dbraw/zinc/13/82/88/1196138288.db2.gz QANUCYKBIACQCJ-VQTJNVASSA-N 1 0 316.489 3.420 20 10 DGCDRO CC[C@@H](C)CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001657644526 1196164916 /nfs/dbraw/zinc/16/49/16/1196164916.db2.gz VZMJEAOOHDPOAL-OAHLLOKOSA-N 1 0 301.434 3.466 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC001657680732 1196169448 /nfs/dbraw/zinc/16/94/48/1196169448.db2.gz QHXBHQUTSJXJSM-CQSZACIVSA-N 1 0 321.415 3.306 20 10 DGCDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001657807454 1196179726 /nfs/dbraw/zinc/17/97/26/1196179726.db2.gz IFETUMCNPDDCRO-IBGZPJMESA-N 1 0 303.446 3.433 20 10 DGCDRO CC(C)CN(CC[NH+](C)C)Cc1cc(F)c(N(C)C)cc1F ZINC001658035453 1196204926 /nfs/dbraw/zinc/20/49/26/1196204926.db2.gz CXLVWMIESSSROE-UHFFFAOYSA-N 1 0 313.436 3.050 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC001658092356 1196211139 /nfs/dbraw/zinc/21/11/39/1196211139.db2.gz CSQLEXMCDMYHGX-RURPWVQCSA-N 1 0 302.462 3.393 20 10 DGCDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)ccc1O)CCO2 ZINC001658732087 1196293461 /nfs/dbraw/zinc/29/34/61/1196293461.db2.gz FKVNTWYRTBBGHI-OAHLLOKOSA-N 1 0 303.333 3.153 20 10 DGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cccc(CC)c2O)C1 ZINC001659009018 1196332378 /nfs/dbraw/zinc/33/23/78/1196332378.db2.gz FIRVKIHQJHWSLF-LJQANCHMSA-N 1 0 319.445 3.366 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC001659026869 1196333726 /nfs/dbraw/zinc/33/37/26/1196333726.db2.gz IPSZRKUHSZOXGK-UHFFFAOYSA-N 1 0 314.433 3.019 20 10 DGCDRO CCCNC(=O)C[N@H+](CCC)Cc1cc(Cl)c(C)cc1O ZINC001659069886 1196340500 /nfs/dbraw/zinc/34/05/00/1196340500.db2.gz KZBUOTOGNUSVEP-UHFFFAOYSA-N 1 0 312.841 3.092 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(O)c(F)c2F)c1 ZINC001659139100 1196351070 /nfs/dbraw/zinc/35/10/70/1196351070.db2.gz UKAOAHVYJRVWMK-SECBINFHSA-N 1 0 309.312 3.235 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC001659290652 1196368399 /nfs/dbraw/zinc/36/83/99/1196368399.db2.gz RVNUFUBQMOOABZ-INIZCTEOSA-N 1 0 309.356 3.061 20 10 DGCDRO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(C(C)C)ccc3O)C2)[nH]1 ZINC001659408001 1196380355 /nfs/dbraw/zinc/38/03/55/1196380355.db2.gz YGCGDBCSPOCQPU-HNNXBMFYSA-N 1 0 314.433 3.322 20 10 DGCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001659482313 1196387373 /nfs/dbraw/zinc/38/73/73/1196387373.db2.gz XYTQKWUOVPTMJQ-OUKYMLFCSA-N 1 0 302.462 3.247 20 10 DGCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001659482310 1196387622 /nfs/dbraw/zinc/38/76/22/1196387622.db2.gz XYTQKWUOVPTMJQ-MRJYEXDBSA-N 1 0 302.462 3.247 20 10 DGCDRO COC(=O)c1cc(C[NH2+]Cc2cc(Cl)ccc2O)cs1 ZINC001659574165 1196397190 /nfs/dbraw/zinc/39/71/90/1196397190.db2.gz QXMDNJVSYPGODO-UHFFFAOYSA-N 1 0 311.790 3.184 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001659689712 1196405847 /nfs/dbraw/zinc/40/58/47/1196405847.db2.gz IIIXJOXGKXUOTL-UHFFFAOYSA-N 1 0 307.296 3.312 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c1 ZINC001660004490 1196436684 /nfs/dbraw/zinc/43/66/84/1196436684.db2.gz WRZZQMZZMCQQKT-IRXDYDNUSA-N 1 0 320.502 3.185 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccs2)cc1Cn1cccn1 ZINC001660752123 1196519056 /nfs/dbraw/zinc/51/90/56/1196519056.db2.gz BAMJQBNVSVMQOF-UHFFFAOYSA-N 1 0 313.426 3.291 20 10 DGCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001661403068 1196601814 /nfs/dbraw/zinc/60/18/14/1196601814.db2.gz WZIDOSCCSVJELY-MRXNPFEDSA-N 1 0 314.408 3.157 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)c1ccccc1F ZINC001661595621 1196623285 /nfs/dbraw/zinc/62/32/85/1196623285.db2.gz WDFQVSDAMJOEJO-PKOBYXMFSA-N 1 0 315.388 3.362 20 10 DGCDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001661847943 1196651112 /nfs/dbraw/zinc/65/11/12/1196651112.db2.gz FCSZCKIAYBWVRG-OXJNMPFZSA-N 1 0 313.489 3.249 20 10 DGCDRO Cc1cnn(-c2cc[nH+]cc2NCc2cc(F)cc(F)c2O)c1 ZINC001662107740 1196682389 /nfs/dbraw/zinc/68/23/89/1196682389.db2.gz NRGQXSQXBWUDAF-UHFFFAOYSA-N 1 0 316.311 3.172 20 10 DGCDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)C ZINC001662502786 1196726221 /nfs/dbraw/zinc/72/62/21/1196726221.db2.gz MRVGOSXKIKBSNT-MJGOQNOKSA-N 1 0 305.462 3.390 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCC23OCCO3)cc1C ZINC001662967098 1196777695 /nfs/dbraw/zinc/77/76/95/1196777695.db2.gz YSUCTTUOBGUCQL-KRWDZBQOSA-N 1 0 305.418 3.169 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2OCc3ccccc32)cc1F ZINC001663475108 1196879766 /nfs/dbraw/zinc/87/97/66/1196879766.db2.gz VKDUBBAAWWEDNL-SFHVURJKSA-N 1 0 318.367 3.392 20 10 DGCDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](C)C(C)(C)C ZINC001665054330 1197091282 /nfs/dbraw/zinc/09/12/82/1197091282.db2.gz ULXIEBFAOPTSHA-CQSZACIVSA-N 1 0 307.434 3.440 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H](C)C(C)C)cc1C ZINC001669069328 1197439770 /nfs/dbraw/zinc/43/97/70/1197439770.db2.gz GGMGTJQVRHCYRD-WLMCBFPDSA-N 1 0 318.461 3.058 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H](CO)Cc1ccccc1 ZINC000322719859 1197689187 /nfs/dbraw/zinc/68/91/87/1197689187.db2.gz RZZMOPOJTCGOSW-BHYGNILZSA-N 1 0 311.425 3.442 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cccc(C(N)=O)c1 ZINC000390293176 1197712693 /nfs/dbraw/zinc/71/26/93/1197712693.db2.gz IMFLVYZADIMMAV-IUODEOHRSA-N 1 0 310.397 3.138 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCOCC(F)(F)F ZINC000111637274 1199629660 /nfs/dbraw/zinc/62/96/60/1199629660.db2.gz NTTVRAKXCADQSR-MNOVXSKESA-N 1 0 303.324 3.417 20 10 DGCDRO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(N)cc1 ZINC000320110064 1199844781 /nfs/dbraw/zinc/84/47/81/1199844781.db2.gz RBOQVVSJYAFSIF-UHFFFAOYSA-N 1 0 315.392 3.257 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)C(C)C)cc1C ZINC001754007462 1200069694 /nfs/dbraw/zinc/06/96/94/1200069694.db2.gz MYBUVYWZLVIRII-HOTGVXAUSA-N 1 0 320.477 3.280 20 10 DGCDRO CCC(CC)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001754508627 1200324877 /nfs/dbraw/zinc/32/48/77/1200324877.db2.gz UFNZILRCKFTCEG-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001698960515 1201613483 /nfs/dbraw/zinc/61/34/83/1201613483.db2.gz KMRPNKVFQXFTDO-PBHICJAKSA-N 1 0 320.477 3.280 20 10 DGCDRO CC[C@H](C)C(=O)N[C@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699083133 1201708731 /nfs/dbraw/zinc/70/87/31/1201708731.db2.gz YZJIYZPWOBLKGI-DZGCQCFKSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)C2CC2)cc1C ZINC001699377705 1201824268 /nfs/dbraw/zinc/82/42/68/1201824268.db2.gz LFWGMHWMUIGEHH-CQSZACIVSA-N 1 0 318.461 3.034 20 10 DGCDRO CCC(C)(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001713312188 1202638322 /nfs/dbraw/zinc/63/83/22/1202638322.db2.gz HFRLDKMECTZUHU-OAHLLOKOSA-N 1 0 320.477 3.424 20 10 DGCDRO Cc1cc(C(=O)NCCCC[NH3+])c(C)n1-c1cc(C)cc(C)c1 ZINC000237845979 1202713904 /nfs/dbraw/zinc/71/39/04/1202713904.db2.gz AIDLXYSKTOCVFM-UHFFFAOYSA-N 1 0 313.445 3.180 20 10 DGCDRO CC/C(C)=C\C(=O)NC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715055379 1203257335 /nfs/dbraw/zinc/25/73/35/1203257335.db2.gz GNZZULAUCGTKBO-QXSWTLKVSA-N 1 0 318.461 3.344 20 10 DGCDRO CC[C@@H](CNC(=O)[C@@H](C)C(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715073266 1203263904 /nfs/dbraw/zinc/26/39/04/1203263904.db2.gz HWOJJAZMFPACSQ-RDJZCZTQSA-N 1 0 320.477 3.280 20 10 DGCDRO CC[NH+](CC)C1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000164357806 1203644660 /nfs/dbraw/zinc/64/46/60/1203644660.db2.gz QWJWGOZJEUZUSV-UHFFFAOYSA-N 1 0 306.450 3.015 20 10 DGCDRO CC[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001733165594 1205031709 /nfs/dbraw/zinc/03/17/09/1205031709.db2.gz USKPTJXOQSQXLF-GUYCJALGSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(C)(C)C)cc1C ZINC001733961587 1205271691 /nfs/dbraw/zinc/27/16/91/1205271691.db2.gz CWZKOHZVFRBKRM-LSDHHAIUSA-N 1 0 320.477 3.423 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC(C)(C)C)cc1C ZINC001733961584 1205271896 /nfs/dbraw/zinc/27/18/96/1205271896.db2.gz CWZKOHZVFRBKRM-CABCVRRESA-N 1 0 320.477 3.423 20 10 DGCDRO COc1cc(O)c(C[NH+]2CC3CC(C3)C2)cc1Br ZINC001233142360 1098236795 /nfs/dbraw/zinc/23/67/95/1098236795.db2.gz RGPAGZUXJIDMQI-UHFFFAOYSA-N 1 0 312.207 3.005 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([N@H+](CC)Cc2ccccc2O)CC1 ZINC001169706395 1081634846 /nfs/dbraw/zinc/63/48/46/1081634846.db2.gz LPEBDGNCPUMPKS-INIZCTEOSA-N 1 0 320.433 3.225 20 10 DGCDRO Oc1ccc(CNc2ccc(F)c(C[NH+]3CCCC3)c2)cc1O ZINC001169996481 1081818218 /nfs/dbraw/zinc/81/82/18/1081818218.db2.gz AGEJJWPRKAYPOB-UHFFFAOYSA-N 1 0 316.376 3.445 20 10 DGCDRO CSC(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000691466683 1081851906 /nfs/dbraw/zinc/85/19/06/1081851906.db2.gz MGNPTNMKFRFJFP-UHFFFAOYSA-N 1 0 304.253 3.386 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]CCOC1CCCC1 ZINC000691478812 1081890805 /nfs/dbraw/zinc/89/08/05/1081890805.db2.gz YHCXUBQIVIWWQF-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO CC(C)COCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691487332 1081923606 /nfs/dbraw/zinc/92/36/06/1081923606.db2.gz DQPARKWXRJIITR-UHFFFAOYSA-N 1 0 316.239 3.307 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000691511567 1081954867 /nfs/dbraw/zinc/95/48/67/1081954867.db2.gz KXGOUEXBICLJNN-OAHLLOKOSA-N 1 0 320.433 3.054 20 10 DGCDRO CC[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccccc1O ZINC000693430661 1082227556 /nfs/dbraw/zinc/22/75/56/1082227556.db2.gz IOFXISSBYRUJKG-LBPRGKRZSA-N 1 0 324.222 3.129 20 10 DGCDRO C[C@@H](Cc1ccccc1Cl)[NH2+]CCc1cc(O)c(O)cc1O ZINC001170255659 1082336288 /nfs/dbraw/zinc/33/62/88/1082336288.db2.gz UTLCXONUWQBGCH-NSHDSACASA-N 1 0 321.804 3.220 20 10 DGCDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(Cn2ccnc2)cc1 ZINC001167624860 1082619208 /nfs/dbraw/zinc/61/92/08/1082619208.db2.gz HNMKCIPDGGXPAL-UHFFFAOYSA-N 1 0 312.461 3.416 20 10 DGCDRO [NH3+]CCN(c1ccc2c(c1)CCO2)C12CC3CC(CC(C3)C1)C2 ZINC001170624168 1082947516 /nfs/dbraw/zinc/94/75/16/1082947516.db2.gz AULUJCLELWNUIS-UHFFFAOYSA-N 1 0 312.457 3.355 20 10 DGCDRO CCOc1ccc(N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC001204046048 1083071738 /nfs/dbraw/zinc/07/17/38/1083071738.db2.gz UURQBXHCLJUJOD-UHFFFAOYSA-N 1 0 302.443 3.469 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)c(O)c1 ZINC001170676133 1083082618 /nfs/dbraw/zinc/08/26/18/1083082618.db2.gz WJNLQBSODAUSQR-ZDUSSCGKSA-N 1 0 305.324 3.023 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2CCC2)cc1C ZINC001133464670 1083129528 /nfs/dbraw/zinc/12/95/28/1083129528.db2.gz CGOXCLDXPTZQGX-CABCVRRESA-N 1 0 318.461 3.177 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c(Cl)c1 ZINC001140927227 1083189169 /nfs/dbraw/zinc/18/91/69/1083189169.db2.gz JXFQWTBSEHVNAW-IUODEOHRSA-N 1 0 306.837 3.207 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170758959 1083311165 /nfs/dbraw/zinc/31/11/65/1083311165.db2.gz ZNEAOFUMBJDBCF-LDLYASANSA-N 1 0 314.473 3.390 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c(Cl)c1 ZINC001182109782 1083622814 /nfs/dbraw/zinc/62/28/14/1083622814.db2.gz UHHPILFZTOLIOH-HNNXBMFYSA-N 1 0 319.832 3.389 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC001182128268 1083625250 /nfs/dbraw/zinc/62/52/50/1083625250.db2.gz SQSJAYAVJSQCPU-ROUUACIJSA-N 1 0 317.429 3.243 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001182908833 1083839546 /nfs/dbraw/zinc/83/95/46/1083839546.db2.gz BEGDYVAHZWLQHG-GJZGRUSLSA-N 1 0 319.351 3.333 20 10 DGCDRO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203560997 1083903039 /nfs/dbraw/zinc/90/30/39/1083903039.db2.gz KPSCWMUHYXKJCW-INIZCTEOSA-N 1 0 317.429 3.338 20 10 DGCDRO CC1([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)COC1 ZINC001183281587 1083907123 /nfs/dbraw/zinc/90/71/23/1083907123.db2.gz OAPHGWXLYIZNKD-UHFFFAOYSA-N 1 0 308.425 3.128 20 10 DGCDRO COC(=O)[C@@H](C[NH2+]Cc1ccc(C)cc1O)C1CCCCC1 ZINC001183741956 1084020330 /nfs/dbraw/zinc/02/03/30/1084020330.db2.gz XODNUILGKCSHDO-INIZCTEOSA-N 1 0 305.418 3.160 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2cnc3ccccn23)c1O ZINC001203602414 1084290634 /nfs/dbraw/zinc/29/06/34/1084290634.db2.gz VKQJYLZOPSJETJ-UHFFFAOYSA-N 1 0 311.385 3.071 20 10 DGCDRO CCCCN(CCCC)c1ccc(CN(C)CC[NH2+]C)c(O)c1 ZINC001204727705 1084862150 /nfs/dbraw/zinc/86/21/50/1084862150.db2.gz KXRGGSXFLNUHNN-UHFFFAOYSA-N 1 0 321.509 3.450 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC001168129927 1086958628 /nfs/dbraw/zinc/95/86/28/1086958628.db2.gz BDXVZXRECYXMDQ-ZIAGYGMSSA-N 1 0 314.429 3.113 20 10 DGCDRO Cc1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)n1-c1ccccc1 ZINC001649009831 1087533442 /nfs/dbraw/zinc/53/34/42/1087533442.db2.gz KUVOERLTPDTXMH-UHFFFAOYSA-N 1 0 319.408 3.405 20 10 DGCDRO C[C@@H](c1ccsc1)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001120370860 1087573119 /nfs/dbraw/zinc/57/31/19/1087573119.db2.gz HSGIEYOBHUFMJZ-AWEZNQCLSA-N 1 0 301.459 3.209 20 10 DGCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\C(C)(C)C)[NH+](C)C)cc1 ZINC001158718426 1087989387 /nfs/dbraw/zinc/98/93/87/1087989387.db2.gz XRRZHGJDXWOLKH-QOHRORDFSA-N 1 0 317.477 3.074 20 10 DGCDRO CC(C)OCCC[N@H+](C)Cc1ccc(Br)cc1O ZINC000691679506 1088730881 /nfs/dbraw/zinc/73/08/81/1088730881.db2.gz SJBLZXXBPOKDHF-UHFFFAOYSA-N 1 0 316.239 3.402 20 10 DGCDRO Cc1cnnc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001155629709 1089193894 /nfs/dbraw/zinc/19/38/94/1089193894.db2.gz MUUJVNDHFDPDOQ-JRBPQWBISA-N 1 0 324.472 3.184 20 10 DGCDRO CN(C)c1ccc(N=Nc2cccc(C(=O)N3CC[NH2+]C3)c2)cc1 ZINC001161418742 1089233776 /nfs/dbraw/zinc/23/37/76/1089233776.db2.gz NZZNOLUASWELNP-UHFFFAOYSA-N 1 0 323.400 3.171 20 10 DGCDRO CC[NH+](CC)CCN(C)Cc1cc(Cl)c(Cl)cc1O ZINC001236793733 1089885320 /nfs/dbraw/zinc/88/53/20/1089885320.db2.gz OIPMHFNNLYDNIQ-UHFFFAOYSA-N 1 0 305.249 3.473 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C)cc1C ZINC001485213804 1090034039 /nfs/dbraw/zinc/03/40/39/1090034039.db2.gz CCRRAVYUPHEBSD-UONOGXRCSA-N 1 0 306.450 3.033 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)CCCC2CC2)cc1C ZINC001164284233 1090393008 /nfs/dbraw/zinc/39/30/08/1090393008.db2.gz XWKYKKAQRRXGEK-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC001203555752 1090598053 /nfs/dbraw/zinc/59/80/53/1090598053.db2.gz GZWRSWOBXHJRMF-OAHLLOKOSA-N 1 0 320.433 3.271 20 10 DGCDRO Fc1cc(C[NH2+]CC2(CC3CC3)CC2)ccc1N1CCOCC1 ZINC001203503687 1090744597 /nfs/dbraw/zinc/74/45/97/1090744597.db2.gz DBDNUSYEFDQULO-UHFFFAOYSA-N 1 0 318.436 3.332 20 10 DGCDRO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1O ZINC001203555706 1090753865 /nfs/dbraw/zinc/75/38/65/1090753865.db2.gz CQFIGTMSOJSVEL-HIFRSBDPSA-N 1 0 320.433 3.270 20 10 DGCDRO CCOC(=O)c1cc2c(s1)CCN(Cc1ccccc1O)C2 ZINC001203555723 1090753896 /nfs/dbraw/zinc/75/38/96/1090753896.db2.gz FAOQVPPTSGJCEB-UHFFFAOYSA-N 1 0 317.410 3.189 20 10 DGCDRO Oc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001203552192 1090754708 /nfs/dbraw/zinc/75/47/08/1090754708.db2.gz DLWRROCQZBCTAU-XLIONFOSSA-N 1 0 324.424 3.468 20 10 DGCDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1O ZINC001203558620 1090755980 /nfs/dbraw/zinc/75/59/80/1090755980.db2.gz QAKUBUHWKBYBGE-ZIAGYGMSSA-N 1 0 320.433 3.222 20 10 DGCDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccccc1O ZINC001203561721 1090756700 /nfs/dbraw/zinc/75/67/00/1090756700.db2.gz YJHKDAJWZBXCOC-UKRRQHHQSA-N 1 0 320.433 3.270 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001203621025 1090768068 /nfs/dbraw/zinc/76/80/68/1090768068.db2.gz NZUIZMOJPVLLCK-ZDUSSCGKSA-N 1 0 307.287 3.125 20 10 DGCDRO COc1ccc(C[NH+]2CCC3(CCOC3(C)C)CC2)c(O)c1 ZINC001203634858 1090770321 /nfs/dbraw/zinc/77/03/21/1090770321.db2.gz YQCJYYPBNUIMOG-UHFFFAOYSA-N 1 0 305.418 3.182 20 10 DGCDRO CCCCCC[NH+]1CCN(Cc2cc(OC)ccc2O)CC1 ZINC001203675049 1090777761 /nfs/dbraw/zinc/77/77/61/1090777761.db2.gz JLRQQQDKQIPGMK-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)C2CCOCC2)cc1F ZINC001203857248 1090820207 /nfs/dbraw/zinc/82/02/07/1090820207.db2.gz XFORILKKLPCUAO-UHFFFAOYSA-N 1 0 308.441 3.434 20 10 DGCDRO COc1ccc(C2=CC[N@H+](Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001203881875 1090826615 /nfs/dbraw/zinc/82/66/15/1090826615.db2.gz WGUFSSJOEUFYNZ-UHFFFAOYSA-N 1 0 311.381 3.396 20 10 DGCDRO CN(C)c1ccc(CN2CC3(CC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001203933664 1090842705 /nfs/dbraw/zinc/84/27/05/1090842705.db2.gz DODOUFDCPFUBMQ-UHFFFAOYSA-N 1 0 321.468 3.213 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)cc1 ZINC001203941747 1090845848 /nfs/dbraw/zinc/84/58/48/1090845848.db2.gz GIYNRNSCXMIPAU-LJQANCHMSA-N 1 0 316.445 3.204 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)CCOc2ccccc2)c(O)c1 ZINC001204154675 1090909417 /nfs/dbraw/zinc/90/94/17/1090909417.db2.gz QLCDECQDNGEBJU-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)c2ccccc21 ZINC001204234051 1090930309 /nfs/dbraw/zinc/93/03/09/1090930309.db2.gz WJVBGVSLVNCSCX-RBUKOAKNSA-N 1 0 316.420 3.201 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCN3CCC2CC3)c2ccccc21 ZINC001204240205 1090931826 /nfs/dbraw/zinc/93/18/26/1090931826.db2.gz LNYPDWZAVMLSAU-UHFFFAOYSA-N 1 0 309.457 3.186 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnccn2)c2ccccc21 ZINC001204242887 1090932592 /nfs/dbraw/zinc/93/25/92/1090932592.db2.gz UARXEGCLLIEHOW-UHFFFAOYSA-N 1 0 306.413 3.328 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3C)c2ccccc21 ZINC001204240392 1090932946 /nfs/dbraw/zinc/93/29/46/1090932946.db2.gz QXKGVIARFUIZRR-UWJYYQICSA-N 1 0 323.484 3.432 20 10 DGCDRO Oc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(O)c1 ZINC001204272308 1090938037 /nfs/dbraw/zinc/93/80/37/1090938037.db2.gz NDWOGDGMYPKVCE-UHFFFAOYSA-N 1 0 318.804 3.073 20 10 DGCDRO c1cn(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)cn1 ZINC001204320750 1090948065 /nfs/dbraw/zinc/94/80/65/1090948065.db2.gz ACOYLCCXCJEXHP-UHFFFAOYSA-N 1 0 310.445 3.320 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CCC([NH+]2CCCC2)CC1 ZINC001204319005 1090948355 /nfs/dbraw/zinc/94/83/55/1090948355.db2.gz CWOCDNLWSXKQDF-UHFFFAOYSA-N 1 0 313.489 3.347 20 10 DGCDRO OCC[C@@H]1CC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204325052 1090949067 /nfs/dbraw/zinc/94/90/67/1090949067.db2.gz QMDZTDLKOGRWIO-GOSISDBHSA-N 1 0 314.473 3.271 20 10 DGCDRO OCc1ccc2c(c1)CC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204326336 1090949177 /nfs/dbraw/zinc/94/91/77/1090949177.db2.gz XDSHFDUJOHZLLL-UHFFFAOYSA-N 1 0 322.452 3.337 20 10 DGCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328862 1090950155 /nfs/dbraw/zinc/95/01/55/1090950155.db2.gz QTURLSIGQFKWRE-IBGZPJMESA-N 1 0 301.478 3.201 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329116 1090950927 /nfs/dbraw/zinc/95/09/27/1090950927.db2.gz XOCNHQGOKPXSMT-QGZVFWFLSA-N 1 0 316.445 3.062 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@]1(C)O ZINC001138215642 1091118359 /nfs/dbraw/zinc/11/83/59/1091118359.db2.gz MNLFLLUJDZJLIO-QFBILLFUSA-N 1 0 302.462 3.270 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1O ZINC001138215523 1091118620 /nfs/dbraw/zinc/11/86/20/1091118620.db2.gz ILNLMRNRQPWFPZ-QFBILLFUSA-N 1 0 302.462 3.270 20 10 DGCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC001138219699 1091118791 /nfs/dbraw/zinc/11/87/91/1091118791.db2.gz LWBILBVCBPPNMP-UYAOXDASSA-N 1 0 313.489 3.203 20 10 DGCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220455 1091120342 /nfs/dbraw/zinc/12/03/42/1091120342.db2.gz DYJBQQBQQAOORL-HXUWFJFHSA-N 1 0 313.489 3.345 20 10 DGCDRO C[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1CCCC1 ZINC001138337292 1091144793 /nfs/dbraw/zinc/14/47/93/1091144793.db2.gz NDOJOHSZEUUZNL-UHFFFAOYSA-N 1 0 300.446 3.465 20 10 DGCDRO Oc1c(C[N@@H+]2CC3CCC2CC3)cc2c3c1CCCN3CCC2 ZINC001138339678 1091146353 /nfs/dbraw/zinc/14/63/53/1091146353.db2.gz IHINHZLCHSLRFD-UHFFFAOYSA-N 1 0 312.457 3.465 20 10 DGCDRO Oc1c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001138339034 1091146593 /nfs/dbraw/zinc/14/65/93/1091146593.db2.gz ZYYYSEHCZLYGPO-IYBDPMFKSA-N 1 0 312.457 3.323 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](COCC4CC4)C3)ccc21 ZINC001138356467 1091150123 /nfs/dbraw/zinc/15/01/23/1091150123.db2.gz OWCRSELULVSQMK-GOSISDBHSA-N 1 0 314.473 3.318 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCC(=O)[C@H]4CCCC[C@@H]43)ccc21 ZINC001138354857 1091150409 /nfs/dbraw/zinc/15/04/09/1091150409.db2.gz WWVKLYFMVQGNTO-HKUYNNGSSA-N 1 0 312.457 3.403 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)CC[C@@]1(C)O ZINC001138354554 1091150849 /nfs/dbraw/zinc/15/08/49/1091150849.db2.gz NAJOFUIMYAZFED-DNVCBOLYSA-N 1 0 302.462 3.052 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[N@H+](CC)C[C@H]2C)c(OC)c1 ZINC001138392063 1091165484 /nfs/dbraw/zinc/16/54/84/1091165484.db2.gz OKOBUWCJDFYZTA-MRXNPFEDSA-N 1 0 319.493 3.067 20 10 DGCDRO COCCO[C@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001205506762 1091237811 /nfs/dbraw/zinc/23/78/11/1091237811.db2.gz GNHQUSYKEUNDTN-KRWDZBQOSA-N 1 0 307.434 3.143 20 10 DGCDRO CCN(CC)c1ncc(C[N@@H+]2CCc3cccc(O)c3C2)s1 ZINC001138802164 1091338009 /nfs/dbraw/zinc/33/80/09/1091338009.db2.gz JRACFPBQLANGKK-UHFFFAOYSA-N 1 0 317.458 3.253 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@H]1C[NH3+] ZINC001206024565 1091455118 /nfs/dbraw/zinc/45/51/18/1091455118.db2.gz KDUTZMSWQOLZGU-NEPJUHHUSA-N 1 0 316.367 3.218 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC001139129225 1091459277 /nfs/dbraw/zinc/45/92/77/1091459277.db2.gz RCNBVCZHEBUYLW-DGCLKSJQSA-N 1 0 301.386 3.427 20 10 DGCDRO C[C@@H]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H]1[NH3+] ZINC001206050010 1091471042 /nfs/dbraw/zinc/47/10/42/1091471042.db2.gz XCQHYCHIAOIGCF-FZKQIMNGSA-N 1 0 314.404 3.367 20 10 DGCDRO N[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001206245125 1091547913 /nfs/dbraw/zinc/54/79/13/1091547913.db2.gz QMCXDHIMTDLVDG-OAHLLOKOSA-N 1 0 310.319 3.011 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC001206248627 1091549296 /nfs/dbraw/zinc/54/92/96/1091549296.db2.gz ZVLOQFIRLUHSKF-JKSUJKDBSA-N 1 0 303.789 3.354 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC001206248626 1091550367 /nfs/dbraw/zinc/55/03/67/1091550367.db2.gz ZVLOQFIRLUHSKF-HZPDHXFCSA-N 1 0 303.789 3.354 20 10 DGCDRO C[C@]1(C[NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001206317831 1091576381 /nfs/dbraw/zinc/57/63/81/1091576381.db2.gz JMPZWQPDOOVHPV-HNNXBMFYSA-N 1 0 316.367 3.362 20 10 DGCDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001206326869 1091581293 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C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140281939 1091815453 /nfs/dbraw/zinc/81/54/53/1091815453.db2.gz UXXNOLHUFHKNNC-IYBDPMFKSA-N 1 0 302.462 3.411 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001140464271 1091875920 /nfs/dbraw/zinc/87/59/20/1091875920.db2.gz JCIKRJXICTYJSW-INIZCTEOSA-N 1 0 318.804 3.484 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464861 1091876783 /nfs/dbraw/zinc/87/67/83/1091876783.db2.gz CYOBQCMSJGRYRO-INIZCTEOSA-N 1 0 311.809 3.211 20 10 DGCDRO CC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464528 1091876834 /nfs/dbraw/zinc/87/68/34/1091876834.db2.gz TXURLCABEAQZHC-UHFFFAOYSA-N 1 0 324.852 3.172 20 10 DGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001140465058 1091877406 /nfs/dbraw/zinc/87/74/06/1091877406.db2.gz GVVASSUUDLWHBH-GFCCVEGCSA-N 1 0 321.808 3.371 20 10 DGCDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140467303 1091878606 /nfs/dbraw/zinc/87/86/06/1091878606.db2.gz 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ZINC001140622724 1091934617 /nfs/dbraw/zinc/93/46/17/1091934617.db2.gz DENAUNZPNMRZGM-CQSZACIVSA-N 1 0 315.417 3.416 20 10 DGCDRO COc1ccccc1O[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140621073 1091934805 /nfs/dbraw/zinc/93/48/05/1091934805.db2.gz OBBLTROHQVWOMG-INIZCTEOSA-N 1 0 313.397 3.363 20 10 DGCDRO CCCc1noc([C@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC001140622723 1091934922 /nfs/dbraw/zinc/93/49/22/1091934922.db2.gz DENAUNZPNMRZGM-AWEZNQCLSA-N 1 0 315.417 3.416 20 10 DGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)c1 ZINC001140624388 1091936368 /nfs/dbraw/zinc/93/63/68/1091936368.db2.gz UVSQMVNFWLDOPG-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c1 ZINC001140624454 1091936591 /nfs/dbraw/zinc/93/65/91/1091936591.db2.gz XNLSFFSJOIRVLH-DLBZAZTESA-N 1 0 306.425 3.099 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140660164 1091947756 /nfs/dbraw/zinc/94/77/56/1091947756.db2.gz HYKMXFCEROGSOZ-HOTGVXAUSA-N 1 0 318.436 3.284 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCCCC1 ZINC001140662226 1091949680 /nfs/dbraw/zinc/94/96/80/1091949680.db2.gz JZLJPAPESTWSGD-UHFFFAOYSA-N 1 0 306.425 3.427 20 10 DGCDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(O)c(C)c1O ZINC001140747471 1091985070 /nfs/dbraw/zinc/98/50/70/1091985070.db2.gz AWHKQAYQNLYGTF-UHFFFAOYSA-N 1 0 301.386 3.437 20 10 DGCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c1O ZINC001140747976 1091985583 /nfs/dbraw/zinc/98/55/83/1091985583.db2.gz PYDWIJDISOQUDO-UHFFFAOYSA-N 1 0 305.418 3.330 20 10 DGCDRO COc1ccc(N2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC001207511886 1091999149 /nfs/dbraw/zinc/99/91/49/1091999149.db2.gz TWZRXBCJUGPMQU-UHFFFAOYSA-N 1 0 314.404 3.199 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(O)c1 ZINC001140850714 1092029122 /nfs/dbraw/zinc/02/91/22/1092029122.db2.gz RQRMHLQKVAJUKW-IBGZPJMESA-N 1 0 318.461 3.241 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCc2ccccn2)c(O)c1 ZINC001140851333 1092029864 /nfs/dbraw/zinc/02/98/64/1092029864.db2.gz HTRVAPFRCNAWBH-UHFFFAOYSA-N 1 0 313.445 3.308 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cncs2)c(O)c1 ZINC001140856794 1092033230 /nfs/dbraw/zinc/03/32/30/1092033230.db2.gz ILXQMGMQFDQTQU-UHFFFAOYSA-N 1 0 305.447 3.327 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1Cl)C1CC[NH+](C)CC1 ZINC001140923747 1092064331 /nfs/dbraw/zinc/06/43/31/1092064331.db2.gz HLABLPSSOCTRGW-UHFFFAOYSA-N 1 0 309.885 3.322 20 10 DGCDRO CC(=O)N1CCCCC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001140949856 1092074436 /nfs/dbraw/zinc/07/44/36/1092074436.db2.gz NNZCLWQTNNRENM-UHFFFAOYSA-N 1 0 316.445 3.068 20 10 DGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC001140951063 1092077377 /nfs/dbraw/zinc/07/73/77/1092077377.db2.gz WWHUCSJDMBXWPM-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)CCCC(=O)OC(C)(C)C)c1O ZINC001207732238 1092083917 /nfs/dbraw/zinc/08/39/17/1092083917.db2.gz DZUBZJDTOUZQOB-UHFFFAOYSA-N 1 0 323.433 3.263 20 10 DGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074355 1092128439 /nfs/dbraw/zinc/12/84/39/1092128439.db2.gz GBFMCBXIIYSOFL-IBGZPJMESA-N 1 0 314.473 3.386 20 10 DGCDRO c1c(C[N@@H+]2CCCCC23COC3)cc2c3c1CCCN3CCC2 ZINC001141076655 1092129266 /nfs/dbraw/zinc/12/92/66/1092129266.db2.gz YSEXEZVCPNEEMA-UHFFFAOYSA-N 1 0 312.457 3.140 20 10 DGCDRO c1c(C[N@@H+]2CCC[C@]23CCOC3)cc2c3c1CCCN3CCC2 ZINC001141078315 1092131192 /nfs/dbraw/zinc/13/11/92/1092131192.db2.gz RCYLLUIWJXCVSX-HXUWFJFHSA-N 1 0 312.457 3.140 20 10 DGCDRO CC[N@H+](CCc1ccc(OC)cc1)Cc1cc(O)ccc1O ZINC001141162225 1092157457 /nfs/dbraw/zinc/15/74/57/1092157457.db2.gz NDRIHFWIYVUJKO-UHFFFAOYSA-N 1 0 301.386 3.171 20 10 DGCDRO O=C1CC2(CC[NH+](Cc3cc(O)ccc3O)CC2)c2ccccc21 ZINC001141163278 1092157516 /nfs/dbraw/zinc/15/75/16/1092157516.db2.gz YGSJCWWRMJEOIY-UHFFFAOYSA-N 1 0 323.392 3.218 20 10 DGCDRO Cc1cccnc1CC[NH2+]Cc1ccc(Br)cc1O ZINC000691424273 1092337491 /nfs/dbraw/zinc/33/74/91/1092337491.db2.gz AIYNEDLRUXJLTF-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO COC(=O)C1(C)CCC([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001168794427 1092355831 /nfs/dbraw/zinc/35/58/31/1092355831.db2.gz ROYFAJFNHKZIGI-UHFFFAOYSA-N 1 0 318.461 3.306 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001168826165 1092384396 /nfs/dbraw/zinc/38/43/96/1092384396.db2.gz XABWROMBTCSVEX-MCIONIFRSA-N 1 0 320.433 3.441 20 10 DGCDRO COc1ccc(CC[N@@H+]2CCc3cccc(O)c3C2)cc1OC ZINC001208759945 1092493051 /nfs/dbraw/zinc/49/30/51/1092493051.db2.gz AOCSFTOLMKAQIO-UHFFFAOYSA-N 1 0 313.397 3.010 20 10 DGCDRO CC(C)(C)c1cccc(CN2CC[NH+](C3CCC3)CC2)c1O ZINC001143103620 1092615452 /nfs/dbraw/zinc/61/54/52/1092615452.db2.gz HMWLDHAECQPFJH-UHFFFAOYSA-N 1 0 302.462 3.360 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143103816 1092615460 /nfs/dbraw/zinc/61/54/60/1092615460.db2.gz KWKPMKCORKTPPU-UKRRQHHQSA-N 1 0 319.445 3.463 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1O ZINC001143103707 1092615481 /nfs/dbraw/zinc/61/54/81/1092615481.db2.gz JDTGZIQBBQOQNM-KGLIPLIRSA-N 1 0 311.372 3.156 20 10 DGCDRO CN(C1CC1)[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112692 1092616306 /nfs/dbraw/zinc/61/63/06/1092616306.db2.gz YEZQCOWJYOHGSI-MRXNPFEDSA-N 1 0 302.462 3.358 20 10 DGCDRO CC(C)(C)c1cccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1O ZINC001143110518 1092616567 /nfs/dbraw/zinc/61/65/67/1092616567.db2.gz HQVSVOPIBYTFNF-MRXNPFEDSA-N 1 0 302.462 3.360 20 10 DGCDRO CC(=O)N(C)C1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143111712 1092616793 /nfs/dbraw/zinc/61/67/93/1092616793.db2.gz FTLFIWVCXKDPFT-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143111835 1092617166 /nfs/dbraw/zinc/61/71/66/1092617166.db2.gz GRAXNXQBBRKHHL-CQSZACIVSA-N 1 0 319.445 3.465 20 10 DGCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116648 1092617726 /nfs/dbraw/zinc/61/77/26/1092617726.db2.gz HIZFQUUMYQHIOX-SFHVURJKSA-N 1 0 305.418 3.075 20 10 DGCDRO CC[C@H](C)[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169401277 1092664907 /nfs/dbraw/zinc/66/49/07/1092664907.db2.gz RSSQEIZTZRSMJJ-GOEBONIOSA-N 1 0 320.477 3.282 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)CC(C)C)cc1C ZINC001169415100 1092677344 /nfs/dbraw/zinc/67/73/44/1092677344.db2.gz WRJSGDWYSDGCIV-MRXNPFEDSA-N 1 0 320.477 3.282 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3CCC(OC)CC3)CC2)cc1 ZINC001209392533 1092753058 /nfs/dbraw/zinc/75/30/58/1092753058.db2.gz GBXLPTAMGJATEO-UHFFFAOYSA-N 1 0 318.461 3.022 20 10 DGCDRO CC[C@H](C[N@@H+]1CCc2cccc(O)c2C1)NC(=O)OC(C)(C)C ZINC001209459889 1092782345 /nfs/dbraw/zinc/78/23/45/1092782345.db2.gz CNMPIWJYSIALMT-CQSZACIVSA-N 1 0 320.433 3.054 20 10 DGCDRO CC[N@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccc1O ZINC001209625965 1092855321 /nfs/dbraw/zinc/85/53/21/1092855321.db2.gz IKSZUONDGMLBGQ-UHFFFAOYSA-N 1 0 311.429 3.410 20 10 DGCDRO Cc1cc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)ccc1N(C)C ZINC001210355563 1093135924 /nfs/dbraw/zinc/13/59/24/1093135924.db2.gz KBCUNTKYGQTCFE-HXUWFJFHSA-N 1 0 323.484 3.078 20 10 DGCDRO Cc1cc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)ccc1N(C)C ZINC001210355560 1093136113 /nfs/dbraw/zinc/13/61/13/1093136113.db2.gz KBCUNTKYGQTCFE-FQEVSTJZSA-N 1 0 323.484 3.078 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210355461 1093136201 /nfs/dbraw/zinc/13/62/01/1093136201.db2.gz IXXAMOZKJNWRKS-OAHLLOKOSA-N 1 0 316.832 3.062 20 10 DGCDRO COc1ccc(C(=O)c2ccccc2Nc2c[nH+]cn2C)cc1 ZINC001211252158 1093434419 /nfs/dbraw/zinc/43/44/19/1093434419.db2.gz CIUXHVUILJYSFZ-UHFFFAOYSA-N 1 0 307.353 3.403 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000401993777 1093982940 /nfs/dbraw/zinc/98/29/40/1093982940.db2.gz MTYFVTCZOFDIDC-NDMJEZRESA-N 1 0 314.223 3.373 20 10 DGCDRO CNc1cc(Nc2ccccc2C(=O)c2ccncc2)cc[nH+]1 ZINC001216337637 1094177629 /nfs/dbraw/zinc/17/76/29/1094177629.db2.gz MVHOTDDUHYQXAN-UHFFFAOYSA-N 1 0 304.353 3.493 20 10 DGCDRO O[C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001119987561 1094334679 /nfs/dbraw/zinc/33/46/79/1094334679.db2.gz YEQBVODLAOKDFJ-PMACEKPBSA-N 1 0 308.425 3.035 20 10 DGCDRO COc1ccc(OC2CC[NH+](Cc3ccc(N)cc3)CC2)cc1 ZINC001120269185 1094398562 /nfs/dbraw/zinc/39/85/62/1094398562.db2.gz OEXUDIUZIGVBMA-UHFFFAOYSA-N 1 0 312.413 3.321 20 10 DGCDRO [NH3+][C@H](Cc1nnc(-c2ccc(-n3cccc3)cc2)o1)c1ccco1 ZINC001217692745 1094472286 /nfs/dbraw/zinc/47/22/86/1094472286.db2.gz LTJKKWCSKCUNJE-OAHLLOKOSA-N 1 0 320.352 3.363 20 10 DGCDRO C[Si]1(C)C[NH2+][C@@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001217755242 1094490213 /nfs/dbraw/zinc/49/02/13/1094490213.db2.gz FYJSPLOGASJEBW-OAHLLOKOSA-N 1 0 324.460 3.419 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)CCC(C)(C)C)cc1C ZINC001135537405 1094569319 /nfs/dbraw/zinc/56/93/19/1094569319.db2.gz LOSCNXAJAVZZEE-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)C)cc1C ZINC001135987798 1094788248 /nfs/dbraw/zinc/78/82/48/1094788248.db2.gz IOEJVIJGFCVYRV-GJZGRUSLSA-N 1 0 320.477 3.423 20 10 DGCDRO C[C@H]1CC[NH2+][C@@H](C(=O)N(Cc2ccccc2)c2ccc(N)cc2)C1 ZINC001218956255 1094913443 /nfs/dbraw/zinc/91/34/43/1094913443.db2.gz UNZXGCRTKAZVPQ-HNAYVOBHSA-N 1 0 323.440 3.190 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000314705423 1095062746 /nfs/dbraw/zinc/06/27/46/1095062746.db2.gz JZZURUNKHNMUHH-HZSPNIEDSA-N 1 0 304.434 3.143 20 10 DGCDRO Cc1cc(CN2CCC[C@@]3(CC[NH2+]3)C2)c(C)n1-c1ccccc1 ZINC001222283407 1095529764 /nfs/dbraw/zinc/52/97/64/1095529764.db2.gz YEZJAEWSYFEFEV-HXUWFJFHSA-N 1 0 309.457 3.422 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC001116418276 1095545714 /nfs/dbraw/zinc/54/57/14/1095545714.db2.gz UTYVEIOUAPXDCD-INIZCTEOSA-N 1 0 311.429 3.364 20 10 DGCDRO CN1CCN(c2ccc(C[N@H+](C)CC(C)(C)C)cc2F)CC1 ZINC001116440512 1095550272 /nfs/dbraw/zinc/55/02/72/1095550272.db2.gz KKLFBKOSEGFNOR-UHFFFAOYSA-N 1 0 307.457 3.055 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001116437818 1095551121 /nfs/dbraw/zinc/55/11/21/1095551121.db2.gz UGRITZIUASOLIU-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO C[C@@H]([N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1)C1(C)CC1 ZINC001116449156 1095558922 /nfs/dbraw/zinc/55/89/22/1095558922.db2.gz GEPCVGDSSNTUKC-OAHLLOKOSA-N 1 0 319.468 3.198 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1 ZINC001116568787 1095603574 /nfs/dbraw/zinc/60/35/74/1095603574.db2.gz USUJSJIZOSTUGG-NEPJUHHUSA-N 1 0 309.406 3.172 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)c1O ZINC001116583657 1095606710 /nfs/dbraw/zinc/60/67/10/1095606710.db2.gz NDZMJHLLLGQKAG-KGLIPLIRSA-N 1 0 312.841 3.017 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCN1CCCCC1=O ZINC001116585289 1095609018 /nfs/dbraw/zinc/60/90/18/1095609018.db2.gz WLZRCMFHLVFCRD-HUUCEWRRSA-N 1 0 316.445 3.241 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222436078 1095612380 /nfs/dbraw/zinc/61/23/80/1095612380.db2.gz UMZVTZLSSBAXJS-OAHLLOKOSA-N 1 0 315.244 3.417 20 10 DGCDRO Cc1cc(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)ccc1N(C)C ZINC001139670197 1095620383 /nfs/dbraw/zinc/62/03/83/1095620383.db2.gz ZJDPORPLEVBQMH-UHFFFAOYSA-N 1 0 324.424 3.348 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222461004 1095624917 /nfs/dbraw/zinc/62/49/17/1095624917.db2.gz KJMXLYYWOKZZAI-UHFFFAOYSA-N 1 0 312.816 3.150 20 10 DGCDRO Cc1cc(CN2CC[C@@]3(CCC[NH2+]3)C2)c(C)n1-c1ccccc1 ZINC001222471330 1095630483 /nfs/dbraw/zinc/63/04/83/1095630483.db2.gz OHZHVCBMNFJPGZ-FQEVSTJZSA-N 1 0 309.457 3.422 20 10 DGCDRO Cc1cc2c(cccc2-c2cnn(CC[NH+]3CCCC3)c2)n1C ZINC001222505443 1095645457 /nfs/dbraw/zinc/64/54/57/1095645457.db2.gz PJGFSVUTQFWTDS-UHFFFAOYSA-N 1 0 308.429 3.446 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(C(=O)OC)cc1F ZINC001144447901 1095668850 /nfs/dbraw/zinc/66/88/50/1095668850.db2.gz YWMMBSKDVUWPIR-UHFFFAOYSA-N 1 0 317.360 3.340 20 10 DGCDRO COC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001116820184 1095669548 /nfs/dbraw/zinc/66/95/48/1095669548.db2.gz UOIORDKLXKZGRH-GXTWGEPZSA-N 1 0 318.417 3.069 20 10 DGCDRO CCN(C)c1ccc(CN2CCOC[C@H]2c2cccn2C)cc1 ZINC001116821359 1095670486 /nfs/dbraw/zinc/67/04/86/1095670486.db2.gz OWULXCXQPWRZMK-IBGZPJMESA-N 1 0 313.445 3.055 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2c(F)cccc2F)c(O)c1 ZINC001144515049 1095700032 /nfs/dbraw/zinc/70/00/32/1095700032.db2.gz CODXBNHVRQVUJN-AWEZNQCLSA-N 1 0 321.323 3.419 20 10 DGCDRO COc1ccc([C@@H](C)[N@H+](C)Cc2c(O)cc(O)cc2O)cc1 ZINC001144514741 1095700090 /nfs/dbraw/zinc/70/00/90/1095700090.db2.gz QLRCHDRHUBVLPX-LLVKDONJSA-N 1 0 303.358 3.005 20 10 DGCDRO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137839730 1095760394 /nfs/dbraw/zinc/76/03/94/1095760394.db2.gz HVUBMZICUCFPEH-LBPRGKRZSA-N 1 0 309.381 3.085 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@](F)(CO)C2)c(C)n1-c1ccccc1 ZINC001137854278 1095766315 /nfs/dbraw/zinc/76/63/15/1095766315.db2.gz PGXVBWGLVLGZRI-GOSISDBHSA-N 1 0 302.393 3.000 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC001137854173 1095766779 /nfs/dbraw/zinc/76/67/79/1095766779.db2.gz LANSVDYJSABTQV-SJLPKXTDSA-N 1 0 316.420 3.246 20 10 DGCDRO Cc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c(C)n1-c1ccccc1 ZINC001137857336 1095769798 /nfs/dbraw/zinc/76/97/98/1095769798.db2.gz DSEJHVDWEJQMKZ-FQEVSTJZSA-N 1 0 309.457 3.374 20 10 DGCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001117582781 1095784279 /nfs/dbraw/zinc/78/42/79/1095784279.db2.gz BALNORPQUOZHNN-PXNSSMCTSA-N 1 0 313.489 3.345 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ncccc1N(C)C ZINC001117633508 1095787029 /nfs/dbraw/zinc/78/70/29/1095787029.db2.gz RZXKSKVKHVRSDY-KGLIPLIRSA-N 1 0 311.429 3.500 20 10 DGCDRO FC1(F)[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC001118564506 1096036761 /nfs/dbraw/zinc/03/67/61/1096036761.db2.gz CNFZHQFKPFPTST-OIISXLGYSA-N 1 0 322.399 3.047 20 10 DGCDRO COCCC1([NH2+]Cc2c(O)cccc2Br)CCC1 ZINC001118908554 1096103352 /nfs/dbraw/zinc/10/33/52/1096103352.db2.gz CPIRHPIHYWDBMR-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H](C)CC(C)C)cc1C ZINC001147395101 1096214026 /nfs/dbraw/zinc/21/40/26/1096214026.db2.gz ZCWPEUSCDBCBBT-HNNXBMFYSA-N 1 0 320.477 3.282 20 10 DGCDRO COc1ccc(N2CC3(C2)CC[N@@H+](C2CCCC2)C3)c(C)c1 ZINC001277019291 1096348882 /nfs/dbraw/zinc/34/88/82/1096348882.db2.gz YRJKNPIIOITQSX-UHFFFAOYSA-N 1 0 300.446 3.458 20 10 DGCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc[nH]2)c(C)c1 ZINC001277019033 1096349402 /nfs/dbraw/zinc/34/94/02/1096349402.db2.gz TTYLMUXNIUWSSH-OALUTQOASA-N 1 0 311.429 3.185 20 10 DGCDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001172322039 1097100852 /nfs/dbraw/zinc/10/08/52/1097100852.db2.gz RGEMUVZVNYOFFU-IAGOWNOFSA-N 1 0 320.477 3.207 20 10 DGCDRO CCOCC[C@H](C)[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001172431144 1097138941 /nfs/dbraw/zinc/13/89/41/1097138941.db2.gz LKUFCCBWUODJEA-INIZCTEOSA-N 1 0 306.450 3.022 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H](C)CCOCC(C)C)CC2)cc1 ZINC001172468883 1097145384 /nfs/dbraw/zinc/14/53/84/1097145384.db2.gz PQEHVTSTTVTCFR-KRWDZBQOSA-N 1 0 320.477 3.268 20 10 DGCDRO Oc1cc(O)c(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1O ZINC001172551340 1097176799 /nfs/dbraw/zinc/17/67/99/1097176799.db2.gz OBWZGOFURIJPSF-ZBFHGGJFSA-N 1 0 313.397 3.272 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172622359 1097207313 /nfs/dbraw/zinc/20/73/13/1097207313.db2.gz KIKBWWXSWNUDEL-FUHWJXTLSA-N 1 0 318.461 3.306 20 10 DGCDRO Oc1ccc(CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1O ZINC001172709593 1097227992 /nfs/dbraw/zinc/22/79/92/1097227992.db2.gz JRLCKRVDYUOYEX-OAHLLOKOSA-N 1 0 303.789 3.051 20 10 DGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001172925016 1097282308 /nfs/dbraw/zinc/28/23/08/1097282308.db2.gz BYTNIYNCGDBBGM-OLZOCXBDSA-N 1 0 314.223 3.202 20 10 DGCDRO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1O ZINC001172944349 1097289182 /nfs/dbraw/zinc/28/91/82/1097289182.db2.gz SDGTUWDIXAABCO-ZDUSSCGKSA-N 1 0 308.422 3.127 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)c1O ZINC001172956683 1097302202 /nfs/dbraw/zinc/30/22/02/1097302202.db2.gz DNAXKFIGOBDWMA-CQSZACIVSA-N 1 0 322.449 3.436 20 10 DGCDRO CCc1ccc(C[C@@H](C)[NH2+]CCc2cc(O)c(O)cc2O)cc1 ZINC001173236297 1097367523 /nfs/dbraw/zinc/36/75/23/1097367523.db2.gz UKOLUKDVDZEKBF-CYBMUJFWSA-N 1 0 315.413 3.129 20 10 DGCDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cccc(O)c2C1 ZINC001173233309 1097377177 /nfs/dbraw/zinc/37/71/77/1097377177.db2.gz VGMGGVVKVMUTQE-ZDUSSCGKSA-N 1 0 312.369 3.290 20 10 DGCDRO Nc1ccc(NC(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC001173885265 1097546161 /nfs/dbraw/zinc/54/61/61/1097546161.db2.gz QVRUXEZBIYYVNO-UHFFFAOYSA-N 1 0 319.368 3.473 20 10 DGCDRO CC[C@@H]1CC[N@H+](Cc2c(Br)ccc(OC)c2O)C1 ZINC001231555972 1097779335 /nfs/dbraw/zinc/77/93/35/1097779335.db2.gz VWRHDEATECFHAX-SNVBAGLBSA-N 1 0 314.223 3.395 20 10 DGCDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc2ccccc21 ZINC001231588169 1097785301 /nfs/dbraw/zinc/78/53/01/1097785301.db2.gz SUQYGONDOMGXIS-FQEVSTJZSA-N 1 0 324.424 3.132 20 10 DGCDRO COCc1noc2c1C[N@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC001231586690 1097785370 /nfs/dbraw/zinc/78/53/70/1097785370.db2.gz FGAMIPPCKARPGM-UHFFFAOYSA-N 1 0 324.380 3.238 20 10 DGCDRO O=C1CCCC2(CC[NH+](Cc3c(O)ccc4ccccc43)CC2)N1 ZINC001231587927 1097785798 /nfs/dbraw/zinc/78/57/98/1097785798.db2.gz PKLHGZVDINSEHE-UHFFFAOYSA-N 1 0 324.424 3.180 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c1O ZINC001231594148 1097786761 /nfs/dbraw/zinc/78/67/61/1097786761.db2.gz ZRINAXMPCCINBE-UHFFFAOYSA-N 1 0 315.388 3.323 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c1O ZINC001231591290 1097786930 /nfs/dbraw/zinc/78/69/30/1097786930.db2.gz ZLNYLWAEZDIDJM-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO Cc1cccc(C[NH+](CCOC(C)C)CCOC(C)C)c1O ZINC001231592247 1097786955 /nfs/dbraw/zinc/78/69/55/1097786955.db2.gz HRVGHXPSPIQENE-UHFFFAOYSA-N 1 0 309.450 3.353 20 10 DGCDRO Cc1cccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001231595142 1097788484 /nfs/dbraw/zinc/78/84/84/1097788484.db2.gz PAECTFOGJAGFDB-HIFRSBDPSA-N 1 0 320.433 3.188 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2ccccc2Cl)c(O)cc1O ZINC001231635742 1097797319 /nfs/dbraw/zinc/79/73/19/1097797319.db2.gz JJUCZYWMMGANAI-UHFFFAOYSA-N 1 0 321.804 3.434 20 10 DGCDRO COc1cc(C[N@@H+]2CCSc3ccccc3C2)c(O)cc1O ZINC001231638792 1097798028 /nfs/dbraw/zinc/79/80/28/1097798028.db2.gz GSIZTCQUOKLCDC-UHFFFAOYSA-N 1 0 317.410 3.214 20 10 DGCDRO Cc1cc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cc[nH+]1 ZINC001174656044 1097805421 /nfs/dbraw/zinc/80/54/21/1097805421.db2.gz DKJAKAXBZZAJSK-UHFFFAOYSA-N 1 0 319.364 3.357 20 10 DGCDRO Cc1cc(C)c(C[N@@H+](C)CCc2noc(C(C)C)n2)c(O)c1 ZINC001231842463 1097859923 /nfs/dbraw/zinc/85/99/23/1097859923.db2.gz MVTNTYBIMDLPKR-UHFFFAOYSA-N 1 0 303.406 3.190 20 10 DGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(C)cc(C)cc3O)C2)o1 ZINC001231847929 1097862234 /nfs/dbraw/zinc/86/22/34/1097862234.db2.gz FXNKFOJTDWGRKW-CQSZACIVSA-N 1 0 301.390 3.080 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)c(O)c1 ZINC001231845427 1097862730 /nfs/dbraw/zinc/86/27/30/1097862730.db2.gz ZDLXWUWQIBFCJI-GOSISDBHSA-N 1 0 322.408 3.022 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@H+](C1CCC1)C1CCOCC1 ZINC001231854893 1097865069 /nfs/dbraw/zinc/86/50/69/1097865069.db2.gz FHQYUAISRKABDM-UHFFFAOYSA-N 1 0 318.461 3.295 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001231851274 1097865852 /nfs/dbraw/zinc/86/58/52/1097865852.db2.gz CCXDOGHIUFFQFF-OKILXGFUSA-N 1 0 310.388 3.238 20 10 DGCDRO Cc1cc(O)c(CN2CCC([N@H+](C)C3CC3)CC2)cc1Cl ZINC001231870126 1097869846 /nfs/dbraw/zinc/86/98/46/1097869846.db2.gz KLGBSIUXVOTRKF-UHFFFAOYSA-N 1 0 308.853 3.413 20 10 DGCDRO Cc1nnc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)o1 ZINC001231914431 1097892430 /nfs/dbraw/zinc/89/24/30/1097892430.db2.gz LKDFRAWLANKKOB-UHFFFAOYSA-N 1 0 307.781 3.117 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)cc1Cl ZINC001232266381 1097986570 /nfs/dbraw/zinc/98/65/70/1097986570.db2.gz MXLOUPWVSZERSZ-MEDUHNTESA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(CO)CC2)cc1Cl ZINC001232266428 1097987019 /nfs/dbraw/zinc/98/70/19/1097987019.db2.gz OCRYCOWOLATAFS-INIZCTEOSA-N 1 0 313.825 3.039 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC001232267015 1097987385 /nfs/dbraw/zinc/98/73/85/1097987385.db2.gz UZDJFMFBGLUCGX-IAQYHMDHSA-N 1 0 311.809 3.055 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(n3cccn3)CC2)cc1Cl ZINC001232269127 1097987691 /nfs/dbraw/zinc/98/76/91/1097987691.db2.gz RAAOAUIUAKGRMC-UHFFFAOYSA-N 1 0 321.808 3.088 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2cccnc2C)cc1Cl ZINC001232269117 1097988355 /nfs/dbraw/zinc/98/83/55/1097988355.db2.gz QWMZZUVXVUSFRX-UHFFFAOYSA-N 1 0 306.793 3.390 20 10 DGCDRO CCOc1ccc(OC)cc1C[N@H+](C)Cc1ccccc1O ZINC001232385039 1098019849 /nfs/dbraw/zinc/01/98/49/1098019849.db2.gz DULJYFHZZXSQJZ-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCCCC23CC3)c2ccccc2n1C ZINC001232404849 1098030276 /nfs/dbraw/zinc/03/02/76/1098030276.db2.gz ARCYZUZGKZLHIC-UHFFFAOYSA-N 1 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COc1cc(Cl)cc(CN2CCC([N@H+](C)C3CC3)CC2)c1O ZINC001233290654 1098277306 /nfs/dbraw/zinc/27/73/06/1098277306.db2.gz PEGAEWVLJRMQCX-UHFFFAOYSA-N 1 0 324.852 3.113 20 10 DGCDRO COC(=O)/C=C/c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001233299718 1098281123 /nfs/dbraw/zinc/28/11/23/1098281123.db2.gz LKTDLDQULKQLTE-MDZDMXLPSA-N 1 0 323.392 3.137 20 10 DGCDRO C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])CC1CC[NH+](C)CC1 ZINC001233417885 1098322727 /nfs/dbraw/zinc/32/27/27/1098322727.db2.gz LWYVCYJBIXTJFW-UHFFFAOYSA-N 1 0 316.367 3.185 20 10 DGCDRO [O-]c1c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cccc1C(F)(F)F ZINC001233418918 1098325175 /nfs/dbraw/zinc/32/51/75/1098325175.db2.gz BNXIPQQNDGTNGO-OAHLLOKOSA-N 1 0 315.335 3.414 20 10 DGCDRO Oc1c(CN2CCC[N@@H+]3CCC[C@H]3C2)cccc1C(F)(F)F ZINC001233418142 1098325379 /nfs/dbraw/zinc/32/53/79/1098325379.db2.gz VOBXXNISPVGWKH-ZDUSSCGKSA-N 1 0 314.351 3.081 20 10 DGCDRO CC(C)O[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419142 1098325697 /nfs/dbraw/zinc/32/56/97/1098325697.db2.gz KVLLYLXQHICKNC-LBPRGKRZSA-N 1 0 303.324 3.410 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001233452455 1098337075 /nfs/dbraw/zinc/33/70/75/1098337075.db2.gz XGFFMWMPKLGEBZ-SWLSCSKDSA-N 1 0 315.335 3.412 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@@]1(C)O ZINC001233452346 1098339106 /nfs/dbraw/zinc/33/91/06/1098339106.db2.gz SNSFAAIFNNEGJP-QMTHXVAHSA-N 1 0 303.324 3.004 20 10 DGCDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C[C@H]1CCCCO1 ZINC001233454060 1098339461 /nfs/dbraw/zinc/33/94/61/1098339461.db2.gz FKKHMWMQQHHDNY-CYBMUJFWSA-N 1 0 303.324 3.412 20 10 DGCDRO CC[N@H+](Cc1ccc(C(F)(F)F)cc1O)C1CCN(C)CC1 ZINC001233454080 1098341412 /nfs/dbraw/zinc/34/14/12/1098341412.db2.gz GGFFVNGTWSTUFN-UHFFFAOYSA-N 1 0 316.367 3.327 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001233454742 1098341607 /nfs/dbraw/zinc/34/16/07/1098341607.db2.gz ISBOTWWZUIEQJH-RISCZKNCSA-N 1 0 301.308 3.022 20 10 DGCDRO CC(C)C[N@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233483130 1098346493 /nfs/dbraw/zinc/34/64/93/1098346493.db2.gz ORXMUTLSLVBCLM-UHFFFAOYSA-N 1 0 301.386 3.462 20 10 DGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233727712 1098416592 /nfs/dbraw/zinc/41/65/92/1098416592.db2.gz OQDCTCLUWYCTJA-LBPRGKRZSA-N 1 0 319.323 3.292 20 10 DGCDRO C[N@H+](Cc1cccnc1)Cc1cccc(OC(F)(F)F)c1O ZINC001233726804 1098416768 /nfs/dbraw/zinc/41/67/68/1098416768.db2.gz IDALOAWRDLAPGP-UHFFFAOYSA-N 1 0 312.291 3.318 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@@]3(CCO3)C2)cccc1OC(F)(F)F ZINC001233760974 1098424999 /nfs/dbraw/zinc/42/49/99/1098424999.db2.gz NHFRYMGOHDQDNL-CQSZACIVSA-N 1 0 317.307 3.046 20 10 DGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768148 1098426789 /nfs/dbraw/zinc/42/67/89/1098426789.db2.gz KZHLSQBGYGIHHB-GFCCVEGCSA-N 1 0 319.323 3.290 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cccc(OC)c2OC)cc1C ZINC001177328933 1098517964 /nfs/dbraw/zinc/51/79/64/1098517964.db2.gz WBXMUPOUWUJVLK-UHFFFAOYSA-N 1 0 315.413 3.353 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@]4(CCO4)C3)c2c1 ZINC001234561912 1098600623 /nfs/dbraw/zinc/60/06/23/1098600623.db2.gz FYSMZVDZASCBPO-LJQANCHMSA-N 1 0 313.397 3.309 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@@H]3CCCOC3)c2c1 ZINC001234569091 1098604089 /nfs/dbraw/zinc/60/40/89/1098604089.db2.gz JJNNULSMJQOYMJ-CQSZACIVSA-N 1 0 301.386 3.165 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCC(F)(F)C3)cc2)CC1 ZINC001234660091 1098636708 /nfs/dbraw/zinc/63/67/08/1098636708.db2.gz DFHLERKAPXCEEW-INIZCTEOSA-N 1 0 310.388 3.395 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001206319907 1098739775 /nfs/dbraw/zinc/73/97/75/1098739775.db2.gz FZLQIVARFGVTOT-INIZCTEOSA-N 1 0 311.809 3.129 20 10 DGCDRO CN1CC[C@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3O)C[C@H]21 ZINC001234997216 1098740142 /nfs/dbraw/zinc/74/01/42/1098740142.db2.gz VQVNSNPLMMENHW-QFBILLFUSA-N 1 0 308.425 3.195 20 10 DGCDRO Cc1nc(CC[N@@H+](C)Cc2cccc(-c3ccccc3)c2O)no1 ZINC001234997656 1098740768 /nfs/dbraw/zinc/74/07/68/1098740768.db2.gz DDNFKKGKKDLNGT-UHFFFAOYSA-N 1 0 323.396 3.425 20 10 DGCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234999025 1098743771 /nfs/dbraw/zinc/74/37/71/1098743771.db2.gz QBZPIMYAEHUOMN-GOSISDBHSA-N 1 0 324.424 3.112 20 10 DGCDRO Cc1cc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C)n1-c1ccccc1 ZINC001235016285 1098752001 /nfs/dbraw/zinc/75/20/01/1098752001.db2.gz FIZGXTOOIXDILK-FXAWDEMLSA-N 1 0 309.457 3.278 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1Cl ZINC001235051843 1098775547 /nfs/dbraw/zinc/77/55/47/1098775547.db2.gz ATNGGAKACNRCDB-LSDHHAIUSA-N 1 0 308.853 3.279 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1Cl ZINC001235081062 1098788714 /nfs/dbraw/zinc/78/87/14/1098788714.db2.gz ATNGGAKACNRCDB-HUUCEWRRSA-N 1 0 308.853 3.279 20 10 DGCDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001206326939 1098805296 /nfs/dbraw/zinc/80/52/96/1098805296.db2.gz QWBMEHNLZDYSQO-OAHLLOKOSA-N 1 0 300.805 3.136 20 10 DGCDRO Oc1c(CN2CCC[C@@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001235111626 1098813445 /nfs/dbraw/zinc/81/34/45/1098813445.db2.gz SCIBAXGYIWNNOO-FQEVSTJZSA-N 1 0 308.425 3.387 20 10 DGCDRO COc1cc(O)c(CN2CCCC[C@]23CCC[NH2+]C3)cc1Cl ZINC001235177331 1098859320 /nfs/dbraw/zinc/85/93/20/1098859320.db2.gz IFQSVYFUQZBMFO-QGZVFWFLSA-N 1 0 324.852 3.162 20 10 DGCDRO C[C@](O)(CC[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC001178542356 1098860004 /nfs/dbraw/zinc/86/00/04/1098860004.db2.gz IIZDDTAIJCMAET-FQEVSTJZSA-N 1 0 311.425 3.399 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@@H]3CC[NH2+][C@@H]3C2)cc1Cl ZINC001235187367 1098865546 /nfs/dbraw/zinc/86/55/46/1098865546.db2.gz WFERIQAJZZSLAU-XHDPSFHLSA-N 1 0 308.853 3.137 20 10 DGCDRO Cc1cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c(C)n1-c1ccccc1 ZINC001235241054 1098913230 /nfs/dbraw/zinc/91/32/30/1098913230.db2.gz QQWFQJNOBWOFIZ-UYAOXDASSA-N 1 0 309.457 3.407 20 10 DGCDRO Cc1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001235265267 1098936933 /nfs/dbraw/zinc/93/69/33/1098936933.db2.gz CMCGAWOVMSRYKG-YLJYHZDGSA-N 1 0 309.457 3.278 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001235304731 1098950514 /nfs/dbraw/zinc/95/05/14/1098950514.db2.gz PDCWMIHGLKIURJ-ROUUACIJSA-N 1 0 312.388 3.135 20 10 DGCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001206369420 1099020642 /nfs/dbraw/zinc/02/06/42/1099020642.db2.gz DRFIDIRUCRGMJO-AWEZNQCLSA-N 1 0 320.330 3.064 20 10 DGCDRO CCC[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)OCC ZINC001179247741 1099045447 /nfs/dbraw/zinc/04/54/47/1099045447.db2.gz KHXOMISCKTYURU-ZDUSSCGKSA-N 1 0 300.393 3.326 20 10 DGCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)c(Cl)cc1O ZINC001235459209 1099049576 /nfs/dbraw/zinc/04/95/76/1099049576.db2.gz ZKRUOOXFTNMTTJ-ZDUSSCGKSA-N 1 0 303.233 3.129 20 10 DGCDRO C[NH2+]CC1CC[NH+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001235679814 1099122656 /nfs/dbraw/zinc/12/26/56/1099122656.db2.gz OBIHZXDEKVQNMM-UHFFFAOYSA-N 1 0 303.233 3.130 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(O)c1 ZINC001235678504 1099122875 /nfs/dbraw/zinc/12/28/75/1099122875.db2.gz CADDWOCNWFCMPC-INIZCTEOSA-N 1 0 314.433 3.118 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCC3)CO1)CCCO2 ZINC001179593086 1099142607 /nfs/dbraw/zinc/14/26/07/1099142607.db2.gz NEXKITPNBQMBMM-QGZVFWFLSA-N 1 0 301.430 3.451 20 10 DGCDRO Oc1cccc(F)c1CN1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001235789095 1099179872 /nfs/dbraw/zinc/17/98/72/1099179872.db2.gz CFRZQFOFOOQFCW-INIZCTEOSA-N 1 0 320.795 3.331 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCNC[C@@H]2Cc2ccccc2)c1O ZINC001235853072 1099213321 /nfs/dbraw/zinc/21/33/21/1099213321.db2.gz FMOKCRCWPUPQQF-SFHVURJKSA-N 1 0 310.441 3.026 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@H]([NH3+])C(F)(F)C2)c2ccccc21 ZINC001235911527 1099255337 /nfs/dbraw/zinc/25/53/37/1099255337.db2.gz JSIYWDCCBIPHEJ-KRWDZBQOSA-N 1 0 319.399 3.074 20 10 DGCDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(Cl)cc1O ZINC001180137381 1099311624 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ZINC001241565895 1101550388 /nfs/dbraw/zinc/55/03/88/1101550388.db2.gz PHMBREVFXVNSTF-UHFFFAOYSA-N 1 0 322.387 3.338 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCc2ccc3c(c2)OCO3)cc1 ZINC001197837313 1101673820 /nfs/dbraw/zinc/67/38/20/1101673820.db2.gz RCIYIBJUVDJKKC-UHFFFAOYSA-N 1 0 312.413 3.156 20 10 DGCDRO Cc1cccc(N2CCC[N@@H+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203936313 1102158809 /nfs/dbraw/zinc/15/88/09/1102158809.db2.gz DIHFBGAYHWDXRB-UHFFFAOYSA-N 1 0 324.472 3.168 20 10 DGCDRO c1csc(-c2n[nH]cc2C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001199934290 1102253803 /nfs/dbraw/zinc/25/38/03/1102253803.db2.gz SBQRWROKVABFNE-UHFFFAOYSA-N 1 0 311.410 3.363 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)ccc1OC ZINC001200972488 1102451577 /nfs/dbraw/zinc/45/15/77/1102451577.db2.gz YHMDZTSVUUBXOX-ZHALLVOQSA-N 1 0 319.445 3.279 20 10 DGCDRO c1csc(CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC001201450347 1102606905 /nfs/dbraw/zinc/60/69/05/1102606905.db2.gz TVYIUNSKUBUAPR-UHFFFAOYSA-N 1 0 316.470 3.307 20 10 DGCDRO CCC[C@@H](C)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001201553517 1102638274 /nfs/dbraw/zinc/63/82/74/1102638274.db2.gz OAQBULZJJPBNFU-OAHLLOKOSA-N 1 0 306.450 3.262 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1Cn1cccn1 ZINC001201600692 1102668985 /nfs/dbraw/zinc/66/89/85/1102668985.db2.gz MLVOWNDMLMCJOE-HNNXBMFYSA-N 1 0 301.434 3.464 20 10 DGCDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001201654367 1102687651 /nfs/dbraw/zinc/68/76/51/1102687651.db2.gz IFIFKPHBZBNPGC-AMKSKSKJSA-N 1 0 312.404 3.180 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)ccc1OC ZINC001201832948 1102740963 /nfs/dbraw/zinc/74/09/63/1102740963.db2.gz INTCWGPNOSTYDR-WMZOPIPTSA-N 1 0 307.434 3.279 20 10 DGCDRO c1cncc(COc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC001201952046 1102770255 /nfs/dbraw/zinc/77/02/55/1102770255.db2.gz GNNMRPKAWNCVFO-UHFFFAOYSA-N 1 0 323.440 3.193 20 10 DGCDRO COc1ccc(N2CCN(CCC(F)(F)F)CC2)c(C)c1 ZINC001202355863 1102955500 /nfs/dbraw/zinc/95/55/00/1102955500.db2.gz CDIWWMCUMWXGGI-UHFFFAOYSA-N 1 0 302.340 3.078 20 10 DGCDRO COC1([C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001325792897 1103126016 /nfs/dbraw/zinc/12/60/16/1103126016.db2.gz HWWVGWDDEHAWFJ-ILXRZTDVSA-N 1 0 319.445 3.423 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2cccc(OCC[NH3+])c2)cn1 ZINC001244325283 1103363951 /nfs/dbraw/zinc/36/39/51/1103363951.db2.gz RZIYXTVTYXIBCC-UHFFFAOYSA-N 1 0 307.397 3.494 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)c(C)n1-c1ccccc1 ZINC001276362980 1103539429 /nfs/dbraw/zinc/53/94/29/1103539429.db2.gz QJWJTMVRNVQDBC-FXAWDEMLSA-N 1 0 309.457 3.230 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC001327149133 1103554640 /nfs/dbraw/zinc/55/46/40/1103554640.db2.gz CZLVPKIUZYCLGH-GKASHWOUSA-N 1 0 309.409 3.497 20 10 DGCDRO CCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001327828440 1103734332 /nfs/dbraw/zinc/73/43/32/1103734332.db2.gz NHGUMKJPVRBXLW-RDJZCZTQSA-N 1 0 318.461 3.130 20 10 DGCDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC001327841616 1103740286 /nfs/dbraw/zinc/74/02/86/1103740286.db2.gz OVQNUQKYIZEDDE-MFKMUULPSA-N 1 0 316.239 3.041 20 10 DGCDRO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001327951721 1103777025 /nfs/dbraw/zinc/77/70/25/1103777025.db2.gz JXWRJUZHIPHUPB-HSALFYBXSA-N 1 0 314.473 3.412 20 10 DGCDRO C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001206563649 1103792374 /nfs/dbraw/zinc/79/23/74/1103792374.db2.gz GDBXJJXTLJXIMO-OAHLLOKOSA-N 1 0 316.367 3.362 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+][C@@]3(C)CC=CCC3)cc2F)CC1 ZINC001328219640 1103876936 /nfs/dbraw/zinc/87/69/36/1103876936.db2.gz ILZABJCKORTLJO-IBGZPJMESA-N 1 0 317.452 3.166 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC2(C(F)(F)F)CC2)cc1F ZINC001328783035 1104068436 /nfs/dbraw/zinc/06/84/36/1104068436.db2.gz JKJFRVPQBAZQKM-UHFFFAOYSA-N 1 0 308.294 3.463 20 10 DGCDRO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2c(C)cccc2O)C1=O ZINC001274299967 1104347218 /nfs/dbraw/zinc/34/72/18/1104347218.db2.gz FVYUWAMULGGRBO-KXBFYZLASA-N 1 0 316.445 3.066 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC001329755006 1104380563 /nfs/dbraw/zinc/38/05/63/1104380563.db2.gz PGSHFRLEBQCVIZ-DAXOMENPSA-N 1 0 322.408 3.402 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001330533008 1104570193 /nfs/dbraw/zinc/57/01/93/1104570193.db2.gz JQSPSUPGBCYHLZ-UHFFFAOYSA-N 1 0 312.291 3.104 20 10 DGCDRO CC/C(C)=C\C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001275395759 1104746133 /nfs/dbraw/zinc/74/61/33/1104746133.db2.gz WVRMTNZZHQKILF-WLDSXTBVSA-N 1 0 318.461 3.343 20 10 DGCDRO CC/C(C)=C/C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001275395758 1104746522 /nfs/dbraw/zinc/74/65/22/1104746522.db2.gz WVRMTNZZHQKILF-ROCUKZSVSA-N 1 0 318.461 3.343 20 10 DGCDRO CCn1c2ccccc2nc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001247035935 1104781882 /nfs/dbraw/zinc/78/18/82/1104781882.db2.gz LQMNIJLHFWCMRH-UHFFFAOYSA-N 1 0 306.413 3.133 20 10 DGCDRO CN(C)c1ccc(-c2nc3ccccc3n2[C@@H]2CC[NH2+]C2)cc1 ZINC001247049601 1104786852 /nfs/dbraw/zinc/78/68/52/1104786852.db2.gz QTGXAVUNEFPORZ-MRXNPFEDSA-N 1 0 306.413 3.304 20 10 DGCDRO Cc1cccc(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c1O ZINC001276079890 1105010027 /nfs/dbraw/zinc/01/00/27/1105010027.db2.gz GAJHPGXHCOOQDH-MAUKXSAKSA-N 1 0 300.446 3.149 20 10 DGCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2cccc(C)c2)c(O)c1 ZINC001249172170 1105238895 /nfs/dbraw/zinc/23/88/95/1105238895.db2.gz JNPZQSVMQUFYQU-UHFFFAOYSA-N 1 0 313.397 3.048 20 10 DGCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001249208534 1105247853 /nfs/dbraw/zinc/24/78/53/1105247853.db2.gz UZLBHLGGPIHPRZ-RDJZCZTQSA-N 1 0 317.429 3.262 20 10 DGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249223660 1105249924 /nfs/dbraw/zinc/24/99/24/1105249924.db2.gz LOTGXJWGNJNURQ-CQSZACIVSA-N 1 0 303.402 3.187 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC4(COC4)CC3)ccc2O1 ZINC001249224204 1105249953 /nfs/dbraw/zinc/24/99/53/1105249953.db2.gz UPGPPVAJAJLFIH-UHFFFAOYSA-N 1 0 315.413 3.189 20 10 DGCDRO COC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249224248 1105250042 /nfs/dbraw/zinc/25/00/42/1105250042.db2.gz WEHOOIJMPMEWEO-CQSZACIVSA-N 1 0 303.402 3.187 20 10 DGCDRO CC[N@H+](Cc1nc2cc(OC)ccc2[nH]1)Cc1ccccc1O ZINC001249415100 1105283354 /nfs/dbraw/zinc/28/33/54/1105283354.db2.gz KQRIELDUOFHTEY-UHFFFAOYSA-N 1 0 311.385 3.299 20 10 DGCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C)c(O)c1 ZINC001249726974 1105366783 /nfs/dbraw/zinc/36/67/83/1105366783.db2.gz XHWSEMGHHHVFBI-AWEZNQCLSA-N 1 0 321.417 3.099 20 10 DGCDRO Cc1cc(C[N@@H+](C)[C@H]2CCCOC2)c(O)cc1Br ZINC001250136572 1105451086 /nfs/dbraw/zinc/45/10/86/1105451086.db2.gz UYPVCSZOJFSVBC-LBPRGKRZSA-N 1 0 314.223 3.074 20 10 DGCDRO Cc1cc(C)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC001137327744 1105487124 /nfs/dbraw/zinc/48/71/24/1105487124.db2.gz DXCVEWIXXOHLAT-UHFFFAOYSA-N 1 0 313.445 3.100 20 10 DGCDRO COC(=O)c1c(F)ccc(CN(C)Cc2ccccc2O)c1F ZINC001250431044 1105513625 /nfs/dbraw/zinc/51/36/25/1105513625.db2.gz ZFDUSWYHFKCSJQ-UHFFFAOYSA-N 1 0 321.323 3.089 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)cc2c1OCC=C2 ZINC001250512022 1105527894 /nfs/dbraw/zinc/52/78/94/1105527894.db2.gz MBKCVZPDEWUVQG-UHFFFAOYSA-N 1 0 311.381 3.438 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)cc(F)c1OC ZINC001137509254 1105532959 /nfs/dbraw/zinc/53/29/59/1105532959.db2.gz DUYCYHUQQZGOKJ-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC001276379921 1105535369 /nfs/dbraw/zinc/53/53/69/1105535369.db2.gz BMGIJPROFGINNH-QGZVFWFLSA-N 1 0 308.853 3.353 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@H](O)C(F)(F)F ZINC001251001297 1105618629 /nfs/dbraw/zinc/61/86/29/1105618629.db2.gz GSBNRNUIRGJYTM-FZMZJTMJSA-N 1 0 317.351 3.145 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001253115120 1105893816 /nfs/dbraw/zinc/89/38/16/1105893816.db2.gz GIKHADYCYUSZPV-FQEVSTJZSA-N 1 0 310.441 3.284 20 10 DGCDRO CCCCC[C@H](O)C[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001253542967 1105955362 /nfs/dbraw/zinc/95/53/62/1105955362.db2.gz VKHLWGYBAHAFJD-SFHVURJKSA-N 1 0 320.477 3.149 20 10 DGCDRO CCCCC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC001253557903 1105958382 /nfs/dbraw/zinc/95/83/82/1105958382.db2.gz PRNKKLSBXTUQNI-CYBMUJFWSA-N 1 0 316.239 3.186 20 10 DGCDRO Oc1ccccc1C[NH2+][C@@H]1Cc2ccc(Br)cc2C1 ZINC001254265759 1106045560 /nfs/dbraw/zinc/04/55/60/1106045560.db2.gz ZLTINWQEVQBZLG-OAHLLOKOSA-N 1 0 318.214 3.412 20 10 DGCDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cnn1C ZINC001254720970 1106135865 /nfs/dbraw/zinc/13/58/65/1106135865.db2.gz DVZUUCSGHONERI-PKFCDNJMSA-N 1 0 303.381 3.472 20 10 DGCDRO CCc1nnc([C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)[nH]1 ZINC001254728943 1106136563 /nfs/dbraw/zinc/13/65/63/1106136563.db2.gz AIJDFSPXADFSHV-SRVKXCTJSA-N 1 0 300.406 3.280 20 10 DGCDRO C[C@@H](CC(F)(F)F)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001255658035 1106287732 /nfs/dbraw/zinc/28/77/32/1106287732.db2.gz NMXPTFAYGPJMOF-ZDUSSCGKSA-N 1 0 316.367 3.296 20 10 DGCDRO COc1cccc2c1CC[C@@H]([N@@H+]1CCc3cccc(O)c3C1)C2 ZINC001256655590 1106464391 /nfs/dbraw/zinc/46/43/91/1106464391.db2.gz YQRFJBCHEHKCRJ-MRXNPFEDSA-N 1 0 309.409 3.316 20 10 DGCDRO Oc1ccc(CC[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1O ZINC001256789251 1106483217 /nfs/dbraw/zinc/48/32/17/1106483217.db2.gz HCZDMTRUVMNQLX-APWZRJJASA-N 1 0 313.397 3.150 20 10 DGCDRO C[NH+]1CCC(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256935980 1106513921 /nfs/dbraw/zinc/51/39/21/1106513921.db2.gz WSWPTJXMGSRRPW-UHFFFAOYSA-N 1 0 308.385 3.337 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC001257106492 1106540258 /nfs/dbraw/zinc/54/02/58/1106540258.db2.gz QSUNVVOBTSLWPU-BJWYYQGGSA-N 1 0 318.461 3.082 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001257106939 1106540796 /nfs/dbraw/zinc/54/07/96/1106540796.db2.gz VDLGIUKOBQUQNK-HOTGVXAUSA-N 1 0 318.461 3.163 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H](C)CCSC)CC2)cc1 ZINC001258224685 1106701834 /nfs/dbraw/zinc/70/18/34/1106701834.db2.gz PXHLUOVIHFENGY-HNNXBMFYSA-N 1 0 308.491 3.349 20 10 DGCDRO COC(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001258351580 1106721612 /nfs/dbraw/zinc/72/16/12/1106721612.db2.gz SNCWVYPGFFZHEF-HNNXBMFYSA-N 1 0 304.434 3.108 20 10 DGCDRO COC(=O)CC[C@@H](C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001258368740 1106723628 /nfs/dbraw/zinc/72/36/28/1106723628.db2.gz AMCLORBVROROED-OAHLLOKOSA-N 1 0 304.434 3.060 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c(O)c1 ZINC001474744221 1106774369 /nfs/dbraw/zinc/77/43/69/1106774369.db2.gz DEXGQORUYPXGBH-CYBMUJFWSA-N 1 0 318.442 3.230 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC001320130710 1106890728 /nfs/dbraw/zinc/89/07/28/1106890728.db2.gz AXVXCIXOBXBGKV-QZNHQWIBSA-N 1 0 317.429 3.177 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCO[C@@H]1CCOC1 ZINC001320247340 1106939347 /nfs/dbraw/zinc/93/93/47/1106939347.db2.gz QLKMGXGRZOPEJQ-RBSFLKMASA-N 1 0 305.418 3.034 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C ZINC001320509417 1107033693 /nfs/dbraw/zinc/03/36/93/1107033693.db2.gz PYQQJFKMXYRFOY-CVEARBPZSA-N 1 0 319.468 3.055 20 10 DGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001321074687 1107240069 /nfs/dbraw/zinc/24/00/69/1107240069.db2.gz SCAGKJCMAGBRHS-NUEKZKHPSA-N 1 0 316.445 3.097 20 10 DGCDRO OCC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC2(CCC2)C1 ZINC001321397625 1107341108 /nfs/dbraw/zinc/34/11/08/1107341108.db2.gz PWKZHZWGYRSOMT-UHFFFAOYSA-N 1 0 314.473 3.319 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H](CO)c1ccccc1 ZINC001261256138 1107375235 /nfs/dbraw/zinc/37/52/35/1107375235.db2.gz XBHLPXCSBPCYFE-FQEVSTJZSA-N 1 0 310.441 3.452 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC[S@](=O)C(C)(C)C ZINC001323829958 1108098289 /nfs/dbraw/zinc/09/82/89/1108098289.db2.gz AUSOZHZXDAGDGA-BHVCSQLQSA-N 1 0 309.475 3.386 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC[S@](=O)C(C)(C)C ZINC001323829964 1108098754 /nfs/dbraw/zinc/09/87/54/1108098754.db2.gz AUSOZHZXDAGDGA-ZNLKAECVSA-N 1 0 309.475 3.386 20 10 DGCDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC000383345528 1108185576 /nfs/dbraw/zinc/18/55/76/1108185576.db2.gz XZZBFSGBNQBPOD-PWSUYJOCSA-N 1 0 315.244 3.083 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001324379037 1108269946 /nfs/dbraw/zinc/26/99/46/1108269946.db2.gz RQYBEASPSRJINR-MSOLQXFVSA-N 1 0 316.445 3.108 20 10 DGCDRO CCCCOCC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001324605049 1108371820 /nfs/dbraw/zinc/37/18/20/1108371820.db2.gz PCXFBTKMWIGHPL-UHFFFAOYSA-N 1 0 306.450 3.024 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC001324795085 1108466768 /nfs/dbraw/zinc/46/67/68/1108466768.db2.gz GJMKPDDKCJNHOE-DLBZAZTESA-N 1 0 318.461 3.022 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3OCCC[C@H]3C1)CCCC2 ZINC001319687769 1108594791 /nfs/dbraw/zinc/59/47/91/1108594791.db2.gz RVROMPLYGRKNNI-QFBILLFUSA-N 1 0 301.430 3.272 20 10 DGCDRO CC(C)[N@@H+]1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319784472 1108634712 /nfs/dbraw/zinc/63/47/12/1108634712.db2.gz FUWVEWZJFXDZHP-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001319933536 1108700189 /nfs/dbraw/zinc/70/01/89/1108700189.db2.gz VDRNKBXEKVBQHN-HXUWFJFHSA-N 1 0 313.489 3.347 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001319963779 1108718008 /nfs/dbraw/zinc/71/80/08/1108718008.db2.gz PHSZJQMHUWRMAZ-QZTJIDSGSA-N 1 0 300.446 3.145 20 10 DGCDRO COc1ccccc1CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308179442 1111390794 /nfs/dbraw/zinc/39/07/94/1111390794.db2.gz DOTYXDVRJIHDPL-UHFFFAOYSA-N 1 0 302.393 3.233 20 10 DGCDRO CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001308188731 1111392995 /nfs/dbraw/zinc/39/29/95/1111392995.db2.gz XFZUZQUUHCMAOJ-UHFFFAOYSA-N 1 0 300.805 3.147 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001308609605 1111450820 /nfs/dbraw/zinc/45/08/20/1111450820.db2.gz CHPXNTRCGJFCGY-CQSZACIVSA-N 1 0 310.388 3.121 20 10 DGCDRO CCC(CC)(C[NH2+]Cc1cc(Cl)c(C)cc1O)C(=O)OC ZINC001308675629 1111459564 /nfs/dbraw/zinc/45/95/64/1111459564.db2.gz GFVWJVNQKMJDFN-UHFFFAOYSA-N 1 0 313.825 3.423 20 10 DGCDRO C[N@H+](Cc1ccncc1)Cc1ccc(Br)cc1O ZINC001308679667 1111459710 /nfs/dbraw/zinc/45/97/10/1111459710.db2.gz ZUVNOXZJWCFISD-UHFFFAOYSA-N 1 0 307.191 3.182 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC001308748548 1111469754 /nfs/dbraw/zinc/46/97/54/1111469754.db2.gz QHOGKSKIZPAANU-FNORWQNLSA-N 1 0 324.424 3.342 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(OC(=O)N(C)C)CC2)c1 ZINC001308788511 1111475941 /nfs/dbraw/zinc/47/59/41/1111475941.db2.gz YGOYLJQEOYJWJO-UHFFFAOYSA-N 1 0 320.433 3.178 20 10 DGCDRO O=C1Nc2ccccc2CC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC001308840422 1111482525 /nfs/dbraw/zinc/48/25/25/1111482525.db2.gz GQRVVGGQHOJSTF-OAHLLOKOSA-N 1 0 316.788 3.089 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(Br)nc2)c1 ZINC001308869640 1111487184 /nfs/dbraw/zinc/48/71/84/1111487184.db2.gz QJIHDROXZPTJNA-UHFFFAOYSA-N 1 0 307.191 3.148 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC001308904077 1111491404 /nfs/dbraw/zinc/49/14/04/1111491404.db2.gz NWTFSVAEBXRFIZ-AWEZNQCLSA-N 1 0 321.461 3.291 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]2C2CCCC2)cc1OC ZINC001308983970 1111505300 /nfs/dbraw/zinc/50/53/00/1111505300.db2.gz KRKPMHUOCBEQKW-ZFWWWQNUSA-N 1 0 305.418 3.325 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Cn1ccnc1 ZINC000062254702 432002739 /nfs/dbraw/zinc/00/27/39/432002739.db2.gz ZTTXHFFFSPYWHI-QGZVFWFLSA-N 1 0 312.461 3.299 20 10 DGCDRO c1coc([C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)N2CCCC2)c1 ZINC000079249360 185162330 /nfs/dbraw/zinc/16/23/30/185162330.db2.gz JENBQDNMPLRKRR-QGZVFWFLSA-N 1 0 312.413 3.141 20 10 DGCDRO CC[N@H+](C)[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000103190138 432004588 /nfs/dbraw/zinc/00/45/88/432004588.db2.gz KSVHBDZCNFPCTK-SFHVURJKSA-N 1 0 312.413 3.044 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1O ZINC000183312543 529659055 /nfs/dbraw/zinc/65/90/55/529659055.db2.gz PTHJQGAVALXIJF-DLBZAZTESA-N 1 0 310.397 3.238 20 10 DGCDRO CC[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(N(C)C)cc1 ZINC000090184830 185286272 /nfs/dbraw/zinc/28/62/72/185286272.db2.gz QAZDXMXXYKXCGN-GOSISDBHSA-N 1 0 317.477 3.100 20 10 DGCDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179196236 432049640 /nfs/dbraw/zinc/04/96/40/432049640.db2.gz NFTBQXSZZOLUBB-INIZCTEOSA-N 1 0 311.429 3.111 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(C(F)(F)F)CC2)cc1OC ZINC000179445499 432057906 /nfs/dbraw/zinc/05/79/06/432057906.db2.gz FNFMPLJGIKGJOO-UHFFFAOYSA-N 1 0 319.323 3.184 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](C(C)C)N2CCCC2)c1O ZINC000236935224 202079349 /nfs/dbraw/zinc/07/93/49/202079349.db2.gz JWMQMXWIKOUTPA-INIZCTEOSA-N 1 0 306.450 3.001 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1c(O)cccc1Cl ZINC000169284923 432071516 /nfs/dbraw/zinc/07/15/16/432071516.db2.gz NWENRHDCWLVOMV-UHFFFAOYSA-N 1 0 307.825 3.194 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1CC[NH+](C)CC1 ZINC000133998405 432072322 /nfs/dbraw/zinc/07/23/22/432072322.db2.gz MACQXXBIFOCHCW-UHFFFAOYSA-N 1 0 317.260 3.473 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000180282061 432082813 /nfs/dbraw/zinc/08/28/13/432082813.db2.gz IDBPAJHFPWKNTH-MRXNPFEDSA-N 1 0 303.789 3.137 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc2ccccc2c1O ZINC000185638835 296131088 /nfs/dbraw/zinc/13/10/88/296131088.db2.gz ZVLJLEAKPVHWOJ-PXAZEXFGSA-N 1 0 303.427 3.064 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)cc1 ZINC000268742018 432128888 /nfs/dbraw/zinc/12/88/88/432128888.db2.gz DGDIIHNNSBBYHX-HNNXBMFYSA-N 1 0 312.461 3.455 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccco1 ZINC000268819611 432141183 /nfs/dbraw/zinc/14/11/83/432141183.db2.gz HACDJWSXUPOXIC-ZDUSSCGKSA-N 1 0 318.392 3.231 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000268914883 432147341 /nfs/dbraw/zinc/14/73/41/432147341.db2.gz NPQCMJWNMMXVBM-AUUYWEPGSA-N 1 0 314.429 3.145 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c(O)c1 ZINC000268981700 432148568 /nfs/dbraw/zinc/14/85/68/432148568.db2.gz QWTABCGXQQLVNJ-HNNXBMFYSA-N 1 0 305.418 3.372 20 10 DGCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(C)c(C)cc3O)C2)n1 ZINC000060126768 184144462 /nfs/dbraw/zinc/14/44/62/184144462.db2.gz QGBZMMUKBCDERH-CQSZACIVSA-N 1 0 301.390 3.080 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1O ZINC000183212047 533483482 /nfs/dbraw/zinc/48/34/82/533483482.db2.gz GTRQSQRMHLODAT-INIZCTEOSA-N 1 0 317.360 3.193 20 10 DGCDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000272327218 130019859 /nfs/dbraw/zinc/01/98/59/130019859.db2.gz VNRDSYVVIUNJGR-UHFFFAOYSA-N 1 0 305.378 3.181 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(CO)cc2)C2CC2)cc1 ZINC000272382382 130025275 /nfs/dbraw/zinc/02/52/75/130025275.db2.gz WHUCAPYNKOFBSM-UHFFFAOYSA-N 1 0 310.441 3.410 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000272462640 130032842 /nfs/dbraw/zinc/03/28/42/130032842.db2.gz QVCFHYSKTQOKRM-GFCCVEGCSA-N 1 0 317.364 3.171 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1cnn(C)c1 ZINC000273563785 130137363 /nfs/dbraw/zinc/13/73/63/130137363.db2.gz IUCJTWOJHGFIKU-ZJUUUORDSA-N 1 0 324.222 3.300 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000273703668 130157021 /nfs/dbraw/zinc/15/70/21/130157021.db2.gz DYSQKDMQERFQCJ-CVEARBPZSA-N 1 0 311.809 3.101 20 10 DGCDRO CCC[N@H+](Cc1cc(Cl)cc(OC)c1O)CC(C)(C)O ZINC000273755810 130161898 /nfs/dbraw/zinc/16/18/98/130161898.db2.gz ODISJKAAJHGMTJ-UHFFFAOYSA-N 1 0 301.814 3.037 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)[C@]12CCCO2 ZINC000274197504 130215003 /nfs/dbraw/zinc/21/50/03/130215003.db2.gz KXONOWXSYRSDFS-WQANXHIZSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000284113303 131050272 /nfs/dbraw/zinc/05/02/72/131050272.db2.gz NLTAPMWYVQCQRN-KDOFPFPSSA-N 1 0 315.413 3.402 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)n(C)n1 ZINC000284263369 131065010 /nfs/dbraw/zinc/06/50/10/131065010.db2.gz JAAWYFWETMXJDD-JTQLQIEISA-N 1 0 324.222 3.047 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000284282518 131066938 /nfs/dbraw/zinc/06/69/38/131066938.db2.gz HQFQILXOWRQLPS-SNVBAGLBSA-N 1 0 324.327 3.248 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cnc(C(C)(C)C)nc2)cc1F ZINC000284404448 131078192 /nfs/dbraw/zinc/07/81/92/131078192.db2.gz PZYTWWBVIMHGHG-UHFFFAOYSA-N 1 0 316.424 3.269 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC=C(c3ccco3)C2)cc1OC ZINC000284955910 131126769 /nfs/dbraw/zinc/12/67/69/131126769.db2.gz BQXDKEPQWUEDEP-UHFFFAOYSA-N 1 0 315.369 3.292 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000284975041 131127000 /nfs/dbraw/zinc/12/70/00/131127000.db2.gz FWEVTFBMXSXRGN-PBHICJAKSA-N 1 0 317.404 3.402 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000285021602 131132145 /nfs/dbraw/zinc/13/21/45/131132145.db2.gz KAEVDTDHNOWZMU-FUHWJXTLSA-N 1 0 305.418 3.324 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOc2ncccc2F)c(O)c1 ZINC000285363923 131160818 /nfs/dbraw/zinc/16/08/18/131160818.db2.gz VSZQXSKDVMQRNZ-ZDUSSCGKSA-N 1 0 304.365 3.273 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2c(C)noc2C)c1O ZINC000285480427 131172102 /nfs/dbraw/zinc/17/21/02/131172102.db2.gz BLXKJAUDNHNHPL-UHFFFAOYSA-N 1 0 320.364 3.364 20 10 DGCDRO COC(=O)Nc1cccc(C[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000285517535 131176457 /nfs/dbraw/zinc/17/64/57/131176457.db2.gz OASMPWTYAPVZNS-UHFFFAOYSA-N 1 0 314.385 3.477 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2c(F)cncc2F)c1 ZINC000285698356 131194337 /nfs/dbraw/zinc/19/43/37/131194337.db2.gz OQYODNZJMPWKBY-VHSXEESVSA-N 1 0 308.328 3.486 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](O)c1ccccc1 ZINC000288547145 131329973 /nfs/dbraw/zinc/32/99/73/131329973.db2.gz LFUYYPRMTYRPCV-ACJLOTCBSA-N 1 0 302.393 3.103 20 10 DGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1O ZINC000289596004 131399508 /nfs/dbraw/zinc/39/95/08/131399508.db2.gz FRFTUHUZLQTAMK-LBPRGKRZSA-N 1 0 318.392 3.457 20 10 DGCDRO Cc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)cc(N2CCCC2)n1 ZINC000297482246 132018105 /nfs/dbraw/zinc/01/81/05/132018105.db2.gz ZJFSIQKVRGSPKY-KRWDZBQOSA-N 1 0 323.440 3.473 20 10 DGCDRO CCC[C@]1([NH2+]Cc2cc(Br)ccc2O)CCOC1 ZINC000378767650 685144402 /nfs/dbraw/zinc/14/44/02/685144402.db2.gz YWHJIHBHLYGZNI-AWEZNQCLSA-N 1 0 314.223 3.204 20 10 DGCDRO CC[C@H]([NH2+]C1CCC(C(=O)NC)CC1)c1ccc(N(C)C)cc1 ZINC000269061960 432153116 /nfs/dbraw/zinc/15/31/16/432153116.db2.gz XZDHEEWSMKBYAK-HTWSVDAQSA-N 1 0 317.477 3.098 20 10 DGCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000269019137 432151371 /nfs/dbraw/zinc/15/13/71/432151371.db2.gz PEMSFBVSUFXBRD-OAHLLOKOSA-N 1 0 317.477 3.070 20 10 DGCDRO c1ccc(CN2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000126975116 227002285 /nfs/dbraw/zinc/00/22/85/227002285.db2.gz MWPNMJZNWWRQHE-UHFFFAOYSA-N 1 0 322.452 3.376 20 10 DGCDRO O=C(C1CC[NH+](Cc2ccccc2O)CC1)N1CCCCCC1 ZINC000179554209 228352709 /nfs/dbraw/zinc/35/27/09/228352709.db2.gz GBHOSZYHHIVJHP-UHFFFAOYSA-N 1 0 316.445 3.007 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cn2ccccc2n1 ZINC000355126426 229304062 /nfs/dbraw/zinc/30/40/62/229304062.db2.gz RMLMSUPWKKTMJT-UHFFFAOYSA-N 1 0 304.397 3.424 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1F ZINC000151454680 432246848 /nfs/dbraw/zinc/24/68/48/432246848.db2.gz XJDOHDAFZHKLAV-RHSMWYFYSA-N 1 0 324.465 3.036 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000270485223 432251419 /nfs/dbraw/zinc/25/14/19/432251419.db2.gz KDCMPCQNPXBOIT-OAHLLOKOSA-N 1 0 316.367 3.080 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1 ZINC000151547172 432256533 /nfs/dbraw/zinc/25/65/33/432256533.db2.gz KENFHPQFNBLACR-AWEZNQCLSA-N 1 0 320.452 3.455 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000291704118 274114523 /nfs/dbraw/zinc/11/45/23/274114523.db2.gz ZGSVUIYVJQVZAK-KRWDZBQOSA-N 1 0 324.424 3.038 20 10 DGCDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1O ZINC000185122152 274524242 /nfs/dbraw/zinc/52/42/42/274524242.db2.gz VDCSXADDZVQGKQ-PZDALLCQSA-N 1 0 303.789 3.355 20 10 DGCDRO CCCC[C@H](COC)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000157415737 275985109 /nfs/dbraw/zinc/98/51/09/275985109.db2.gz YTUQKVUYYQLPBC-QGZVFWFLSA-N 1 0 320.477 3.459 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000237217937 276987293 /nfs/dbraw/zinc/98/72/93/276987293.db2.gz OKKJLPUSKPKEGP-QGZVFWFLSA-N 1 0 317.477 3.009 20 10 DGCDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185113916 277442553 /nfs/dbraw/zinc/44/25/53/277442553.db2.gz GGWDKUDIBCJICU-JQWIXIFHSA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000112536848 431282530 /nfs/dbraw/zinc/28/25/30/431282530.db2.gz XCHZQODFEIIBPO-CVEARBPZSA-N 1 0 311.429 3.330 20 10 DGCDRO CN(CCC[NH2+]Cc1c(O)cccc1Cl)CC(F)(F)F ZINC000113322080 431341120 /nfs/dbraw/zinc/34/11/20/431341120.db2.gz FBZIGVRMRZKJQF-UHFFFAOYSA-N 1 0 310.747 3.019 20 10 DGCDRO CCC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1ccccc1O ZINC000075829198 431501131 /nfs/dbraw/zinc/50/11/31/431501131.db2.gz RCWXQRGSKJIYHO-UHFFFAOYSA-N 1 0 303.358 3.184 20 10 DGCDRO Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000013994573 431571977 /nfs/dbraw/zinc/57/19/77/431571977.db2.gz ONEHGIFBQJLYQJ-MRXNPFEDSA-N 1 0 301.386 3.475 20 10 DGCDRO Cc1cnccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000121392879 431781101 /nfs/dbraw/zinc/78/11/01/431781101.db2.gz ZHVCPNKGRXHERL-UHFFFAOYSA-N 1 0 311.385 3.296 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(C(N)=O)c2)cc1 ZINC000122219112 431820579 /nfs/dbraw/zinc/82/05/79/431820579.db2.gz QDQLPGOBHSUOJT-CQSZACIVSA-N 1 0 311.429 3.092 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](CCC(F)(F)F)CC1CC1)OCO2 ZINC000084482169 431826055 /nfs/dbraw/zinc/82/60/55/431826055.db2.gz JWBXGIPTQNSDGL-UHFFFAOYSA-N 1 0 317.307 3.285 20 10 DGCDRO COc1cccc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c1O ZINC000093593472 431915540 /nfs/dbraw/zinc/91/55/40/431915540.db2.gz CXBXINZTFHAWSR-AWEZNQCLSA-N 1 0 313.397 3.399 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000125490816 431927728 /nfs/dbraw/zinc/92/77/28/431927728.db2.gz GSXKVPHYJCZQMM-MRXNPFEDSA-N 1 0 307.457 3.055 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1O ZINC000125939430 431938748 /nfs/dbraw/zinc/93/87/48/431938748.db2.gz KLURMKOBJZXCFL-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000126258118 431946570 /nfs/dbraw/zinc/94/65/70/431946570.db2.gz RTZOZYXKXMQUMR-CYBMUJFWSA-N 1 0 315.392 3.181 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](C)CCO)c1cc(Br)ccc1O ZINC000097439470 431969704 /nfs/dbraw/zinc/96/97/04/431969704.db2.gz OOKWEVKXIKGQBE-MFKMUULPSA-N 1 0 316.239 3.214 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000162861102 281358592 /nfs/dbraw/zinc/35/85/92/281358592.db2.gz HVINVHLMRQQWPS-KURFVTIASA-N 1 0 322.518 3.483 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1ccccc1O ZINC000183316483 432282369 /nfs/dbraw/zinc/28/23/69/432282369.db2.gz IHPWEAXZIGVBPR-QAPCUYQASA-N 1 0 315.413 3.181 20 10 DGCDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3ccccc3O)cn2)n1 ZINC000183428392 432293530 /nfs/dbraw/zinc/29/35/30/432293530.db2.gz XDLSSNLODFCFQD-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1O ZINC000183732180 432320936 /nfs/dbraw/zinc/32/09/36/432320936.db2.gz UGNMDSAHXDJNST-CYBMUJFWSA-N 1 0 312.369 3.200 20 10 DGCDRO C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccccc1O ZINC000183609264 432307738 /nfs/dbraw/zinc/30/77/38/432307738.db2.gz WWIKTQFVSGWJAB-GFCCVEGCSA-N 1 0 313.376 3.311 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccccc1O ZINC000183633511 432311762 /nfs/dbraw/zinc/31/17/62/432311762.db2.gz XOUJGSTUQMYSHI-LLVKDONJSA-N 1 0 308.328 3.282 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)cc1OC ZINC000271955125 432431059 /nfs/dbraw/zinc/43/10/59/432431059.db2.gz CIOSQJVRUCNABB-GJZGRUSLSA-N 1 0 323.433 3.093 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1O ZINC000271952686 432432076 /nfs/dbraw/zinc/43/20/76/432432076.db2.gz DUPLMPYMSGRTRC-JKSUJKDBSA-N 1 0 307.434 3.474 20 10 DGCDRO C[C@@H](c1ccccc1)[N@H+](CCn1cncn1)Cc1ccccc1O ZINC000272096202 432443664 /nfs/dbraw/zinc/44/36/64/432443664.db2.gz YYHDQRVEFYNJFL-INIZCTEOSA-N 1 0 322.412 3.247 20 10 DGCDRO C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000184902954 432444660 /nfs/dbraw/zinc/44/46/60/432444660.db2.gz LASNIHWESYXENH-OCCSQVGLSA-N 1 0 313.825 3.282 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000184948782 432446947 /nfs/dbraw/zinc/44/69/47/432446947.db2.gz KQTVFQDLGZFMBV-UGSOOPFHSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000184948169 432447435 /nfs/dbraw/zinc/44/74/35/432447435.db2.gz IOQGGPVYOUMVAS-PIGZYNQJSA-N 1 0 321.804 3.438 20 10 DGCDRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185027461 432457748 /nfs/dbraw/zinc/45/77/48/432457748.db2.gz OQCCFVITZAVAPO-LBPRGKRZSA-N 1 0 316.376 3.132 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCSC2)c1O ZINC000271819333 432426429 /nfs/dbraw/zinc/42/64/29/432426429.db2.gz MODOVCWVYZRXRR-NSHDSACASA-N 1 0 302.237 3.058 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193505536 432477100 /nfs/dbraw/zinc/47/71/00/432477100.db2.gz ABMCZOKPAXVSJV-OLZOCXBDSA-N 1 0 316.367 3.235 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)SC)CC2)cc1 ZINC000154259061 432486637 /nfs/dbraw/zinc/48/66/37/432486637.db2.gz HNBVYAVLCRKULS-UHFFFAOYSA-N 1 0 308.491 3.395 20 10 DGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185350927 432494730 /nfs/dbraw/zinc/49/47/30/432494730.db2.gz IZRGUDQPFFKTHI-SNVBAGLBSA-N 1 0 320.320 3.299 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000185370034 432495601 /nfs/dbraw/zinc/49/56/01/432495601.db2.gz LHLKRFOSIZHFOS-IUODEOHRSA-N 1 0 305.805 3.300 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)C[C@H](C)O ZINC000185521927 432506659 /nfs/dbraw/zinc/50/66/59/432506659.db2.gz FUYKSCBYQHIVRO-VWYCJHECSA-N 1 0 316.239 3.212 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1 ZINC000185580049 432511291 /nfs/dbraw/zinc/51/12/91/432511291.db2.gz QAIGFFZDLVCADZ-HNNXBMFYSA-N 1 0 305.418 3.254 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](OC)c2ccccc2)c1 ZINC000185101909 432467167 /nfs/dbraw/zinc/46/71/67/432467167.db2.gz JBWVEXFXVSRCKB-FZKQIMNGSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136343 432562349 /nfs/dbraw/zinc/56/23/49/432562349.db2.gz OYHOBVWRQLINDC-PBFPGSCMSA-N 1 0 323.458 3.106 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1Oc1ccccc1 ZINC000186161958 432562782 /nfs/dbraw/zinc/56/27/82/432562782.db2.gz URCUZOJPNNQFTQ-NEWSRXKRSA-N 1 0 313.397 3.107 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)c1 ZINC000186157664 432563518 /nfs/dbraw/zinc/56/35/18/432563518.db2.gz NYSYMQMYMJXKDU-WDEREUQCSA-N 1 0 304.390 3.460 20 10 DGCDRO CC[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccccc1O ZINC000155160680 432542058 /nfs/dbraw/zinc/54/20/58/432542058.db2.gz GPTHOZTYCBEETA-ZDUSSCGKSA-N 1 0 304.356 3.317 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186589136 432610119 /nfs/dbraw/zinc/61/01/19/432610119.db2.gz WESVZSWHWUQLMF-UHFFFAOYSA-N 1 0 315.388 3.101 20 10 DGCDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000186270374 432576156 /nfs/dbraw/zinc/57/61/56/432576156.db2.gz LBHGNKXQFNWLRV-CQSZACIVSA-N 1 0 320.452 3.455 20 10 DGCDRO Cc1cccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1O ZINC000186459726 432597261 /nfs/dbraw/zinc/59/72/61/432597261.db2.gz HZIAERFILBXKIG-UHFFFAOYSA-N 1 0 312.413 3.016 20 10 DGCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186510066 432603130 /nfs/dbraw/zinc/60/31/30/432603130.db2.gz VLFYEHOPFGMVLU-KJDJKKKBSA-N 1 0 314.223 3.132 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC3(C2)CCOCC3)c1O ZINC000273733037 432630277 /nfs/dbraw/zinc/63/02/77/432630277.db2.gz KLADSLWNJUZLTF-UHFFFAOYSA-N 1 0 311.809 3.057 20 10 DGCDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000186822736 432631728 /nfs/dbraw/zinc/63/17/28/432631728.db2.gz XKFHFWSSKYVCOT-INIZCTEOSA-N 1 0 317.477 3.196 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)[C@@]12CCCO2 ZINC000274197495 432638754 /nfs/dbraw/zinc/63/87/54/432638754.db2.gz KXONOWXSYRSDFS-FDPIWHGQSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)cc1OC ZINC000274325321 432652162 /nfs/dbraw/zinc/65/21/62/432652162.db2.gz DQZOZBWFXOQXLW-DLBZAZTESA-N 1 0 323.433 3.091 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000219453269 432663714 /nfs/dbraw/zinc/66/37/14/432663714.db2.gz VGUDSNVLLNDVRW-DZGCQCFKSA-N 1 0 320.433 3.270 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000178182214 432704745 /nfs/dbraw/zinc/70/47/45/432704745.db2.gz QPSQYJHJTSKGLK-GOSISDBHSA-N 1 0 311.429 3.092 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000223661946 432678536 /nfs/dbraw/zinc/67/85/36/432678536.db2.gz BWPHXUJIGOQNKA-ZIAGYGMSSA-N 1 0 320.433 3.300 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2cc(F)ccc2OC)c1 ZINC000237205573 432782174 /nfs/dbraw/zinc/78/21/74/432782174.db2.gz UWSQJDHTXDUDBQ-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccccc2-n2cccn2)c1O ZINC000236909923 432771026 /nfs/dbraw/zinc/77/10/26/432771026.db2.gz AXBHLQYXTCIBMM-UHFFFAOYSA-N 1 0 323.396 3.266 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000178742233 432773621 /nfs/dbraw/zinc/77/36/21/432773621.db2.gz GYKOYVUXMHKFRJ-HNNXBMFYSA-N 1 0 321.428 3.184 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)c1O ZINC000237227591 432781287 /nfs/dbraw/zinc/78/12/87/432781287.db2.gz WFDXWCMRSIBAEO-ZDUSSCGKSA-N 1 0 301.386 3.217 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCc2ccc(O)cc2)c1 ZINC000237205463 432781503 /nfs/dbraw/zinc/78/15/03/432781503.db2.gz YGBINVZWLLRZDG-ZDUSSCGKSA-N 1 0 301.386 3.217 20 10 DGCDRO CCC(CC)[C@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000162217600 432817704 /nfs/dbraw/zinc/81/77/04/432817704.db2.gz FNOBRIIMNFODNP-LJQANCHMSA-N 1 0 320.477 3.051 20 10 DGCDRO C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000276854492 432827021 /nfs/dbraw/zinc/82/70/21/432827021.db2.gz BKAFASQAGRGBFN-LLVKDONJSA-N 1 0 310.388 3.338 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1O ZINC000276979724 432827690 /nfs/dbraw/zinc/82/76/90/432827690.db2.gz VQEPXGAVOQTMHA-WMLDXEAASA-N 1 0 316.445 3.367 20 10 DGCDRO CCOC(CC[NH2+]Cc1ccc(N(CC)CC)cc1)OCC ZINC000276226127 432785570 /nfs/dbraw/zinc/78/55/70/432785570.db2.gz NVRYXXPMSLKWOT-UHFFFAOYSA-N 1 0 308.466 3.412 20 10 DGCDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC000276229293 432785740 /nfs/dbraw/zinc/78/57/40/432785740.db2.gz MXPQSUFKXSMPTA-LLVKDONJSA-N 1 0 322.346 3.320 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000276456802 432809539 /nfs/dbraw/zinc/80/95/39/432809539.db2.gz VLTMEAZPTKRHOY-DJJJIMSYSA-N 1 0 315.413 3.347 20 10 DGCDRO C[C@H]([NH2+]CCC(C)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000296639317 432923684 /nfs/dbraw/zinc/92/36/84/432923684.db2.gz BYYLNYVYLYZGND-LBPRGKRZSA-N 1 0 316.367 3.358 20 10 DGCDRO Cc1ccc([C@@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(O)c1 ZINC000296621254 432924034 /nfs/dbraw/zinc/92/40/34/432924034.db2.gz WXBJLPMLWOFEGC-OWCLPIDISA-N 1 0 324.424 3.043 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000296781938 432926084 /nfs/dbraw/zinc/92/60/84/432926084.db2.gz LVVURSAKDYQCHH-ZBFHGGJFSA-N 1 0 304.434 3.038 20 10 DGCDRO CSC1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000289031858 432914557 /nfs/dbraw/zinc/91/45/57/432914557.db2.gz HBEVNIUDOBPDIA-OAHLLOKOSA-N 1 0 307.459 3.269 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cc(N2CCCC2)n1 ZINC000289709286 432972760 /nfs/dbraw/zinc/97/27/60/432972760.db2.gz FHHKKOAEMKEEGX-UHFFFAOYSA-N 1 0 324.472 3.346 20 10 DGCDRO Cc1cccc(C[N@@H+](C)CCCN(C)Cc2ccco2)c1O ZINC000289766720 432974831 /nfs/dbraw/zinc/97/48/31/432974831.db2.gz KGGGSKFRRSMGDY-UHFFFAOYSA-N 1 0 302.418 3.248 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2nnc(C)s2)cc1 ZINC000289933373 432978851 /nfs/dbraw/zinc/97/88/51/432978851.db2.gz VONMLSGGKMIOQK-GFCCVEGCSA-N 1 0 304.463 3.196 20 10 DGCDRO OC[C@]1(C[NH2+]Cc2c(O)cccc2Cl)C[C@@H]1c1ccccc1 ZINC000289957933 432980370 /nfs/dbraw/zinc/98/03/70/432980370.db2.gz VFSJBWPNBOHPRS-CRAIPNDOSA-N 1 0 317.816 3.301 20 10 DGCDRO COc1cccc(C2(C[NH2+]Cc3cccc(OC)c3O)CC2)c1 ZINC000290024447 432982337 /nfs/dbraw/zinc/98/23/37/432982337.db2.gz ZVASWEIOOBYJGU-UHFFFAOYSA-N 1 0 313.397 3.231 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2COc3ccccc32)c1O ZINC000290071086 432987828 /nfs/dbraw/zinc/98/78/28/432987828.db2.gz FWGLLSUOKNHFFL-LBPRGKRZSA-N 1 0 319.788 3.320 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c1O ZINC000280107052 433000938 /nfs/dbraw/zinc/00/09/38/433000938.db2.gz AUJUIZOHOZSMRD-MRXNPFEDSA-N 1 0 313.825 3.445 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(C)cc1O ZINC000280062208 433001370 /nfs/dbraw/zinc/00/13/70/433001370.db2.gz KMAJECFWZULCLQ-UXLLHSPISA-N 1 0 318.461 3.388 20 10 DGCDRO CC[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(C)cc1O ZINC000280236997 433019848 /nfs/dbraw/zinc/01/98/48/433019848.db2.gz VQDOEZRKKUTYTL-ZDUSSCGKSA-N 1 0 304.356 3.235 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297867022 433026237 /nfs/dbraw/zinc/02/62/37/433026237.db2.gz ULOIXQVABVBJRO-JRMKUOIOSA-N 1 0 307.459 3.049 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000290369887 433040998 /nfs/dbraw/zinc/04/09/98/433040998.db2.gz ANTWTWCXALTQQI-AWEZNQCLSA-N 1 0 321.808 3.088 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@H]2O)c(O)c1C ZINC000290490647 433066068 /nfs/dbraw/zinc/06/60/68/433066068.db2.gz XTTPYHWLMVXZOC-URKNILKWSA-N 1 0 313.397 3.154 20 10 DGCDRO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000290605304 433114692 /nfs/dbraw/zinc/11/46/92/433114692.db2.gz WGKMVTGBPCHZNX-CQSZACIVSA-N 1 0 308.853 3.209 20 10 DGCDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000374328417 433185931 /nfs/dbraw/zinc/18/59/31/433185931.db2.gz BWCZLKFZNMVANE-INIZCTEOSA-N 1 0 302.805 3.322 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCO3)CC2)cc1F ZINC000374330262 433186681 /nfs/dbraw/zinc/18/66/81/433186681.db2.gz LSKJXYLAKDXYLJ-UHFFFAOYSA-N 1 0 306.425 3.427 20 10 DGCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000280874134 433206597 /nfs/dbraw/zinc/20/65/97/433206597.db2.gz AKRGKDLLYNGSLY-MCMMXHMISA-N 1 0 321.486 3.223 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2CCOCC2)c(C(F)(F)F)c1 ZINC000280924564 433224208 /nfs/dbraw/zinc/22/42/08/433224208.db2.gz PWEXBXSTNNFTEU-UHFFFAOYSA-N 1 0 316.367 3.288 20 10 DGCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000281498364 433306487 /nfs/dbraw/zinc/30/64/87/433306487.db2.gz WNCXQKIXBCSJDZ-UHFFFAOYSA-N 1 0 312.461 3.445 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000374924770 433311975 /nfs/dbraw/zinc/31/19/75/433311975.db2.gz HGHCOXRWBAHNGL-OAHLLOKOSA-N 1 0 305.418 3.039 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1C ZINC000282318702 433562440 /nfs/dbraw/zinc/56/24/40/433562440.db2.gz KWYTZXJKJMHDMO-FQEVSTJZSA-N 1 0 311.425 3.323 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CC(F)(F)F ZINC000282346016 433575526 /nfs/dbraw/zinc/57/55/26/433575526.db2.gz CFKZVYNOWPCJRK-ZDUSSCGKSA-N 1 0 305.340 3.308 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000292856276 433602786 /nfs/dbraw/zinc/60/27/86/433602786.db2.gz UTHNVAJBLXTUGX-GTNSWQLSSA-N 1 0 319.426 3.254 20 10 DGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000362333920 433652931 /nfs/dbraw/zinc/65/29/31/433652931.db2.gz FOGNDMXTRPGMQG-KRWDZBQOSA-N 1 0 316.424 3.271 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1O ZINC000362335529 433651114 /nfs/dbraw/zinc/65/11/14/433651114.db2.gz LSGFWKPTMCWCAB-INIZCTEOSA-N 1 0 315.417 3.170 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cc(Cl)ccc1O ZINC000376299096 433707477 /nfs/dbraw/zinc/70/74/77/433707477.db2.gz AIQOYTBOBIYCPY-DETPVDSQSA-N 1 0 311.809 3.034 20 10 DGCDRO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000293439022 433739689 /nfs/dbraw/zinc/73/96/89/433739689.db2.gz JTXGDRQKULQNOC-MRXNPFEDSA-N 1 0 314.433 3.132 20 10 DGCDRO CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293506758 433763358 /nfs/dbraw/zinc/76/33/58/433763358.db2.gz AHEAZXFAQQILFP-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000293663480 433818545 /nfs/dbraw/zinc/81/85/45/433818545.db2.gz IVSSBKLFKMQWJL-NEPJUHHUSA-N 1 0 312.841 3.249 20 10 DGCDRO COCC1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CCOCC1 ZINC000293657305 433819679 /nfs/dbraw/zinc/81/96/79/433819679.db2.gz LROSKWNIGRFPMW-GFCCVEGCSA-N 1 0 313.825 3.139 20 10 DGCDRO Cc1ccoc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293657440 433821379 /nfs/dbraw/zinc/82/13/79/433821379.db2.gz LTCPZEOSSZEXSY-CQSZACIVSA-N 1 0 318.392 3.415 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000293700193 433833884 /nfs/dbraw/zinc/83/38/84/433833884.db2.gz LZBRVRQGFTYYSA-GOEBONIOSA-N 1 0 306.450 3.294 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C(C)C)C(C)(C)O)CC2)cc1 ZINC000377027305 433843208 /nfs/dbraw/zinc/84/32/08/433843208.db2.gz YWZXDWCQAOLJEY-SFHVURJKSA-N 1 0 320.477 3.049 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000293818867 433878281 /nfs/dbraw/zinc/87/82/81/433878281.db2.gz DBWHXJDWDYXPEA-UHFFFAOYSA-N 1 0 312.816 3.149 20 10 DGCDRO COCC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCOCC1 ZINC000293785243 433865817 /nfs/dbraw/zinc/86/58/17/433865817.db2.gz UCQANMYRJFEQGT-HNNXBMFYSA-N 1 0 307.434 3.103 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1N(C)C ZINC000293815578 433881366 /nfs/dbraw/zinc/88/13/66/433881366.db2.gz ONVSRODZTSLWJH-DNVCBOLYSA-N 1 0 312.461 3.341 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)c1 ZINC000377868404 434024972 /nfs/dbraw/zinc/02/49/72/434024972.db2.gz HXQALBKRSHTFMO-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)ccc1N(C)C ZINC000294450816 434117387 /nfs/dbraw/zinc/11/73/87/434117387.db2.gz FUAMNIMEEMNYSG-QGZVFWFLSA-N 1 0 318.461 3.036 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1 ZINC000294604529 434124760 /nfs/dbraw/zinc/12/47/60/434124760.db2.gz DJCIYTIMCGPSBA-KGLIPLIRSA-N 1 0 304.434 3.059 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1C ZINC000294825358 434145589 /nfs/dbraw/zinc/14/55/89/434145589.db2.gz PKHURNZWLXVNJB-HNNXBMFYSA-N 1 0 318.461 3.123 20 10 DGCDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000294977999 434158166 /nfs/dbraw/zinc/15/81/66/434158166.db2.gz GIOJXDCKVQFUDE-HNNXBMFYSA-N 1 0 309.768 3.350 20 10 DGCDRO CSCC1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000295000285 434160120 /nfs/dbraw/zinc/16/01/20/434160120.db2.gz ILALVNCPKAGBJL-UHFFFAOYSA-N 1 0 309.431 3.132 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1O ZINC000364462553 434272540 /nfs/dbraw/zinc/27/25/40/434272540.db2.gz LYTYBVHIRBYMSN-MRXNPFEDSA-N 1 0 305.418 3.182 20 10 DGCDRO O=C1CCCN1c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295933540 434443367 /nfs/dbraw/zinc/44/33/67/434443367.db2.gz KKWSPTPARZSEHW-KRWDZBQOSA-N 1 0 322.408 3.296 20 10 DGCDRO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cc2c(cc1O)CCCC2 ZINC000295837955 434441079 /nfs/dbraw/zinc/44/10/79/434441079.db2.gz AICXWUKHLJNNCH-NSHDSACASA-N 1 0 312.417 3.117 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]CC2CC=CC2)c1O ZINC000527751316 295125499 /nfs/dbraw/zinc/12/54/99/295125499.db2.gz VSDYNVBPNFGVSE-UHFFFAOYSA-N 1 0 312.207 3.219 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1F ZINC000368765180 434582144 /nfs/dbraw/zinc/58/21/44/434582144.db2.gz MPOJKAWRUFNOAH-QZTJIDSGSA-N 1 0 306.425 3.187 20 10 DGCDRO c1coc([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000371332709 434669017 /nfs/dbraw/zinc/66/90/17/434669017.db2.gz QXEBYYGOKQYFGV-QGZVFWFLSA-N 1 0 312.413 3.106 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCOC3CCCC3)CC2)cc1 ZINC000371974804 434779974 /nfs/dbraw/zinc/77/99/74/434779974.db2.gz QMRRHYLYLUXRFZ-UHFFFAOYSA-N 1 0 318.461 3.213 20 10 DGCDRO COc1ccc(N(Cc2ccccc2)C(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000637893211 434901494 /nfs/dbraw/zinc/90/14/94/434901494.db2.gz QYYRJZAEPMBZND-KRWDZBQOSA-N 1 0 322.408 3.276 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)ccc1OC ZINC000527799480 435014707 /nfs/dbraw/zinc/01/47/07/435014707.db2.gz KWQKVOGLCWSXDM-MSOLQXFVSA-N 1 0 307.434 3.277 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c1 ZINC000527966957 435016688 /nfs/dbraw/zinc/01/66/88/435016688.db2.gz WJPZDWFIUPJXJW-GFCCVEGCSA-N 1 0 311.385 3.138 20 10 DGCDRO CCOC[C@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000530105984 435043026 /nfs/dbraw/zinc/04/30/26/435043026.db2.gz JZYCMNUBHONWJN-MRXNPFEDSA-N 1 0 321.461 3.235 20 10 DGCDRO C[C@H]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)c2c(O)cccc21 ZINC000662809596 436389843 /nfs/dbraw/zinc/38/98/43/436389843.db2.gz RCLFPKPNRUSMAW-ZDUSSCGKSA-N 1 0 322.408 3.192 20 10 DGCDRO COc1cc(C)nc(C[NH2+]Cc2c(C)c3ccccc3n2C)c1 ZINC000355120236 533699971 /nfs/dbraw/zinc/69/99/71/533699971.db2.gz JJMIAPBJFUJGGB-UHFFFAOYSA-N 1 0 309.413 3.489 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)ccc1N(C)C ZINC000293580380 335109079 /nfs/dbraw/zinc/10/90/79/335109079.db2.gz NQFCPOKJNFSWLX-NRFANRHFSA-N 1 0 324.468 3.197 20 10 DGCDRO COc1cccc(C[NH2+]C2CCC3(CCOCC3)CC2)c1O ZINC000360025426 337083994 /nfs/dbraw/zinc/08/39/94/337083994.db2.gz YILLRUDDWKLMGJ-UHFFFAOYSA-N 1 0 305.418 3.230 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000184682165 533954147 /nfs/dbraw/zinc/95/41/47/533954147.db2.gz YMIWJZXHNBDEMR-LLVKDONJSA-N 1 0 321.808 3.157 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1O ZINC000189119368 518283011 /nfs/dbraw/zinc/28/30/11/518283011.db2.gz CMOVNBJXKAVUIB-QGZVFWFLSA-N 1 0 321.392 3.125 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1O ZINC000189119346 518283408 /nfs/dbraw/zinc/28/34/08/518283408.db2.gz CMOVNBJXKAVUIB-KRWDZBQOSA-N 1 0 321.392 3.125 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC3(CCOCC3)C2)c1O ZINC000267473939 518284241 /nfs/dbraw/zinc/28/42/41/518284241.db2.gz ZWYGJXZIJVCUMN-UHFFFAOYSA-N 1 0 321.392 3.127 20 10 DGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2O)CC1 ZINC000228792315 518805145 /nfs/dbraw/zinc/80/51/45/518805145.db2.gz GDBQDKWCAVCTES-OAHLLOKOSA-N 1 0 320.433 3.271 20 10 DGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000163470012 518836996 /nfs/dbraw/zinc/83/69/96/518836996.db2.gz BDHGJMAOXXKTBW-HUUCEWRRSA-N 1 0 320.433 3.318 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1O ZINC000188275294 521338483 /nfs/dbraw/zinc/33/84/83/521338483.db2.gz LJDRQNRGHYDFOF-MRXNPFEDSA-N 1 0 305.418 3.182 20 10 DGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000179889626 521359751 /nfs/dbraw/zinc/35/97/51/521359751.db2.gz ZKYRHNUZTVDPSF-HNNXBMFYSA-N 1 0 312.413 3.092 20 10 DGCDRO CCOc1cccc(C[NH2+]CC[C@](C)(O)c2ccccc2)c1O ZINC000189844499 521364211 /nfs/dbraw/zinc/36/42/11/521364211.db2.gz VFZOWEIMBDCGLN-IBGZPJMESA-N 1 0 315.413 3.178 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](CCO)c2ccccc2)c1O ZINC000265851782 521375848 /nfs/dbraw/zinc/37/58/48/521375848.db2.gz IGBQINUXNUYDCU-MRXNPFEDSA-N 1 0 301.386 3.004 20 10 DGCDRO CC[C@H](C[NH2+][C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000227714365 522200650 /nfs/dbraw/zinc/20/06/50/522200650.db2.gz UASVTRCFLORHNC-CHWSQXEVSA-N 1 0 308.422 3.346 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000227683657 522732729 /nfs/dbraw/zinc/73/27/29/522732729.db2.gz JNFLENOORQVLII-OCCSQVGLSA-N 1 0 308.422 3.346 20 10 DGCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2ncc(C)s2)cc1OC ZINC000182552942 522777198 /nfs/dbraw/zinc/77/71/98/522777198.db2.gz YRBCBYBHRRQBAX-UHFFFAOYSA-N 1 0 322.430 3.199 20 10 DGCDRO COc1cc(O)c(C[NH2+]C2(c3cccc(F)c3)CC2)cc1OC ZINC000182358604 522777903 /nfs/dbraw/zinc/77/79/03/522777903.db2.gz XCQFJXSLKSRUJZ-UHFFFAOYSA-N 1 0 317.360 3.327 20 10 DGCDRO CC[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000127401614 522841982 /nfs/dbraw/zinc/84/19/82/522841982.db2.gz WYXOKQBWMSBMQO-IIBYNOLFSA-N 1 0 310.507 3.341 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccccc1O ZINC000156961540 522855511 /nfs/dbraw/zinc/85/55/11/522855511.db2.gz BQBFSUMMKRRSSK-SJLPKXTDSA-N 1 0 303.377 3.480 20 10 DGCDRO C[N@H+](CCOCC(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000188638355 522887207 /nfs/dbraw/zinc/88/72/07/522887207.db2.gz JTFGWSOXKXCTGB-UHFFFAOYSA-N 1 0 312.404 3.390 20 10 DGCDRO C[N@H+](CCOCC(F)(F)C(F)(F)F)Cc1ccccc1O ZINC000189663231 522887291 /nfs/dbraw/zinc/88/72/91/522887291.db2.gz RWWDABDLHVPSIY-UHFFFAOYSA-N 1 0 313.266 3.038 20 10 DGCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3ccccc3c1O)CC2 ZINC000185317736 534703392 /nfs/dbraw/zinc/70/33/92/534703392.db2.gz DGFQQSVSVKMFHR-WFASDCNBSA-N 1 0 322.412 3.111 20 10 DGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000191651390 523898861 /nfs/dbraw/zinc/89/88/61/523898861.db2.gz SQDHVNMUEZVCEK-LPEHRKFASA-N 1 0 302.212 3.229 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1C ZINC000269114345 524093139 /nfs/dbraw/zinc/09/31/39/524093139.db2.gz DANXIMKEZQPJTG-RDJZCZTQSA-N 1 0 307.459 3.148 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1O ZINC000180629267 524390773 /nfs/dbraw/zinc/39/07/73/524390773.db2.gz OOXJPGUYLWUZIK-SFHVURJKSA-N 1 0 319.445 3.251 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2ccccc2OC)c1 ZINC000182153154 524751313 /nfs/dbraw/zinc/75/13/13/524751313.db2.gz BQAAOECYPSQWMF-UHFFFAOYSA-N 1 0 301.386 3.434 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)cc1C ZINC000267251120 525321595 /nfs/dbraw/zinc/32/15/95/525321595.db2.gz ZLEKLLVGRZDITA-SCLBCKFNSA-N 1 0 303.377 3.360 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1C ZINC000182107673 525322430 /nfs/dbraw/zinc/32/24/30/525322430.db2.gz VVDVMTDZKVEYRT-JTSKRJEESA-N 1 0 317.454 3.218 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124808946 525474711 /nfs/dbraw/zinc/47/47/11/525474711.db2.gz GVEPEFQCIVNYJL-FZKQIMNGSA-N 1 0 302.393 3.276 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000157618082 525475745 /nfs/dbraw/zinc/47/57/45/525475745.db2.gz OCTJQJSZAAKNMS-FZKQIMNGSA-N 1 0 302.393 3.276 20 10 DGCDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269029837 525891441 /nfs/dbraw/zinc/89/14/41/525891441.db2.gz RXXPZEXEFPNKIJ-IIDMSEBBSA-N 1 0 322.518 3.440 20 10 DGCDRO COc1cccc(C[NH2+][C@H](COCC(C)C)c2ccco2)c1O ZINC000237237219 526036841 /nfs/dbraw/zinc/03/68/41/526036841.db2.gz KMKUPDACWWZZPL-OAHLLOKOSA-N 1 0 319.401 3.497 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000180243486 526349231 /nfs/dbraw/zinc/34/92/31/526349231.db2.gz CWBIEFLAUQBSTI-QGZVFWFLSA-N 1 0 323.408 3.081 20 10 DGCDRO CCOC(CC[NH2+][C@@H](C)c1cc(Cl)ccc1O)OCC ZINC000276457962 528434518 /nfs/dbraw/zinc/43/45/18/528434518.db2.gz BQRAJHYGJZIODZ-NSHDSACASA-N 1 0 301.814 3.485 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1ccc(C)cc1O ZINC000375647663 529203525 /nfs/dbraw/zinc/20/35/25/529203525.db2.gz FKQXDQAUKITCCJ-NVXWUHKLSA-N 1 0 311.429 3.397 20 10 DGCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C2 ZINC000285462101 535398228 /nfs/dbraw/zinc/39/82/28/535398228.db2.gz JTUANVLYTJDXQV-UHFFFAOYSA-N 1 0 321.392 3.125 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000274820811 535808936 /nfs/dbraw/zinc/80/89/36/535808936.db2.gz BPDHMGWGJHJJIB-MSOLQXFVSA-N 1 0 324.424 3.234 20 10 DGCDRO COCCOc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000273361260 536732078 /nfs/dbraw/zinc/73/20/78/536732078.db2.gz DAPHEMKUTZTQFA-ZDUSSCGKSA-N 1 0 319.376 3.407 20 10 DGCDRO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+](C)Cc1ccccc1O ZINC000731843868 574560327 /nfs/dbraw/zinc/56/03/27/574560327.db2.gz ZTEULFMVCHYVQR-OAHLLOKOSA-N 1 0 324.424 3.192 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCOc1ccc(F)c(F)c1 ZINC000733327814 574616313 /nfs/dbraw/zinc/61/63/13/574616313.db2.gz BNNVRINCRZAVLE-UHFFFAOYSA-N 1 0 313.731 3.492 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](OC)C(F)(F)F)cc1 ZINC000733329577 574616584 /nfs/dbraw/zinc/61/65/84/574616584.db2.gz VTKKUSMDDDKEEO-AWEZNQCLSA-N 1 0 304.356 3.200 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000741257567 574954613 /nfs/dbraw/zinc/95/46/13/574954613.db2.gz FNEIFJRCWJNMRQ-HXUWFJFHSA-N 1 0 320.440 3.480 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)cc1 ZINC000741754241 574968791 /nfs/dbraw/zinc/96/87/91/574968791.db2.gz MBTDFJJQZYYJCJ-INIZCTEOSA-N 1 0 314.433 3.214 20 10 DGCDRO COc1cccc2c1OC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)C2 ZINC000742369422 574992898 /nfs/dbraw/zinc/99/28/98/574992898.db2.gz GKABYCFEQKXHJV-MRXNPFEDSA-N 1 0 313.397 3.111 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)C12CCCC2 ZINC000742390948 574995912 /nfs/dbraw/zinc/99/59/12/574995912.db2.gz WKLBOSWZXKEGGJ-CVEARBPZSA-N 1 0 305.418 3.228 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c1O ZINC000729681242 575259821 /nfs/dbraw/zinc/25/98/21/575259821.db2.gz YPUKDTNQMPDDKV-ZDUSSCGKSA-N 1 0 301.386 3.217 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCc1nc2ccccc2s1 ZINC000746404092 575450803 /nfs/dbraw/zinc/45/08/03/575450803.db2.gz JOKBYFNPAQDZCG-UHFFFAOYSA-N 1 0 314.410 3.343 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCOC3)C1)CCC2 ZINC000747830249 575544698 /nfs/dbraw/zinc/54/46/98/575544698.db2.gz LQOYOAPASUBCRM-IRXDYDNUSA-N 1 0 301.430 3.129 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2cccc(F)n2)ccc1OC ZINC000747939285 575552688 /nfs/dbraw/zinc/55/26/88/575552688.db2.gz WKSQRLZRFGWHGZ-UHFFFAOYSA-N 1 0 304.365 3.056 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)cc1C ZINC000751991561 575816887 /nfs/dbraw/zinc/81/68/87/575816887.db2.gz WAQDBWXFHFXGHP-OAQYLSRUSA-N 1 0 303.427 3.031 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2ccc3[nH]cnc3c2)n1 ZINC000752264137 575829550 /nfs/dbraw/zinc/82/95/50/575829550.db2.gz BHIGVAZBFQWWAD-UHFFFAOYSA-N 1 0 304.444 3.291 20 10 DGCDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000725846640 575928677 /nfs/dbraw/zinc/92/86/77/575928677.db2.gz JYQFXKKEDPUDRS-GWCFXTLKSA-N 1 0 301.342 3.127 20 10 DGCDRO COCCOc1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000725847394 575929238 /nfs/dbraw/zinc/92/92/38/575929238.db2.gz JUGNZVLNAUPUDM-UHFFFAOYSA-N 1 0 321.804 3.361 20 10 DGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CC1([NH3+])CC1 ZINC000852882668 620653979 /nfs/dbraw/zinc/65/39/79/620653979.db2.gz NUGCGVWOEWIPGA-OAHLLOKOSA-N 1 0 324.424 3.363 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H](C[NH2+]Cc1ccccc1O)C1CCC1 ZINC000853095115 620668028 /nfs/dbraw/zinc/66/80/28/620668028.db2.gz IXAFEMXCVUQQHW-HNNXBMFYSA-N 1 0 305.418 3.240 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCOCCF)cc1 ZINC000853091829 620667461 /nfs/dbraw/zinc/66/74/61/620667461.db2.gz VFKOIIZCPGQCQR-UHFFFAOYSA-N 1 0 322.449 3.460 20 10 DGCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000154453826 620677218 /nfs/dbraw/zinc/67/72/18/620677218.db2.gz SPRRNHZMQGUPAL-SFHVURJKSA-N 1 0 302.462 3.412 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(Cc3cccs3)CC2)c1 ZINC000918067971 620695849 /nfs/dbraw/zinc/69/58/49/620695849.db2.gz YXGZUGDWUHNODA-UHFFFAOYSA-N 1 0 316.470 3.388 20 10 DGCDRO c1ccc([C@@H]2C[C@H]2C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000111398442 620706579 /nfs/dbraw/zinc/70/65/79/620706579.db2.gz VBJIAPVZUQVFJZ-FPOVZHCZSA-N 1 0 322.452 3.417 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccco3)CC1)OCO2 ZINC000853527299 620706613 /nfs/dbraw/zinc/70/66/13/620706613.db2.gz SDKSUADBDZPPBJ-UHFFFAOYSA-N 1 0 301.342 3.094 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853566318 620710444 /nfs/dbraw/zinc/71/04/44/620710444.db2.gz NXMCCOMSQLQGPH-IFXJQAMLSA-N 1 0 319.445 3.167 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853565089 620710571 /nfs/dbraw/zinc/71/05/71/620710571.db2.gz AFJLZWOLGJGARC-KXBFYZLASA-N 1 0 303.446 3.466 20 10 DGCDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000111404440 620710790 /nfs/dbraw/zinc/71/07/90/620710790.db2.gz LRHACHSRRNEGHD-AWEZNQCLSA-N 1 0 316.239 3.041 20 10 DGCDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000853576682 620711258 /nfs/dbraw/zinc/71/12/58/620711258.db2.gz DVNAFTPVVFQWFV-CQSZACIVSA-N 1 0 312.413 3.474 20 10 DGCDRO CCC(CC)CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000853589910 620713666 /nfs/dbraw/zinc/71/36/66/620713666.db2.gz QWKVDGVNWAYCKQ-KRWDZBQOSA-N 1 0 307.434 3.466 20 10 DGCDRO CN(C)c1ccc([C@@H](CNC(=O)CCCC2CC2)[NH+](C)C)cc1 ZINC000891247273 617759788 /nfs/dbraw/zinc/75/97/88/617759788.db2.gz HWCWKLACJCXFTA-GOSISDBHSA-N 1 0 317.477 3.052 20 10 DGCDRO CCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC000891254284 617760918 /nfs/dbraw/zinc/76/09/18/617760918.db2.gz YDDFYPDQJUMFNP-KRWDZBQOSA-N 1 0 317.477 3.052 20 10 DGCDRO COCCOc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000891400598 617792382 /nfs/dbraw/zinc/79/23/82/617792382.db2.gz WXITZAQVJFUCTN-UHFFFAOYSA-N 1 0 318.417 3.003 20 10 DGCDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c(O)c1OC ZINC000892009681 617944143 /nfs/dbraw/zinc/94/41/43/617944143.db2.gz NMKLDQPPNKDBKV-GFCCVEGCSA-N 1 0 317.385 3.308 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCc2cnn(C)c2)cc1 ZINC000919769958 620765209 /nfs/dbraw/zinc/76/52/09/620765209.db2.gz AIHYLOIREPQELA-UHFFFAOYSA-N 1 0 314.477 3.331 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnnn1-c1ccccc1 ZINC000924575173 618104902 /nfs/dbraw/zinc/10/49/02/618104902.db2.gz RZUVXARGKJGMOA-HNNXBMFYSA-N 1 0 321.428 3.184 20 10 DGCDRO COc1ccc(C[NH2+]CC(C)(C)c2ccccc2)c(O)c1OC ZINC000892560778 618108482 /nfs/dbraw/zinc/10/84/82/618108482.db2.gz JAAZWNFRGGQXSF-UHFFFAOYSA-N 1 0 315.413 3.477 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)c(O)c1 ZINC000840882034 618109064 /nfs/dbraw/zinc/10/90/64/618109064.db2.gz SEHREWHBQPPTDP-HIFRSBDPSA-N 1 0 303.377 3.266 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)c(O)c1 ZINC000840882049 618109657 /nfs/dbraw/zinc/10/96/57/618109657.db2.gz SEHREWHBQPPTDP-ZFWWWQNUSA-N 1 0 303.377 3.266 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000840883413 618113509 /nfs/dbraw/zinc/11/35/09/618113509.db2.gz ZMZKWIIFEPGODK-WMLDXEAASA-N 1 0 316.420 3.318 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Cl)ccc1O ZINC000840886731 618130186 /nfs/dbraw/zinc/13/01/86/618130186.db2.gz OHLXQUZNUCWPJJ-DYLAAIIWSA-N 1 0 305.752 3.245 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC000840886865 618131132 /nfs/dbraw/zinc/13/11/32/618131132.db2.gz BGFIRGXMYUVEJJ-WQVCFCJDSA-N 1 0 312.404 3.342 20 10 DGCDRO Cc1cc(CC[NH2+][C@H](C)c2cnnn2C)c(C)n1-c1ccccc1 ZINC000924590501 618137335 /nfs/dbraw/zinc/13/73/35/618137335.db2.gz WMJJNJWMVAUKHV-OAHLLOKOSA-N 1 0 323.444 3.116 20 10 DGCDRO CCn1nc(C)c(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1C ZINC000840888635 618137602 /nfs/dbraw/zinc/13/76/02/618137602.db2.gz MGDLAHFOQHAVHT-UHFFFAOYSA-N 1 0 307.825 3.477 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(CC(C)C)nc2)c1O ZINC000894457492 618338905 /nfs/dbraw/zinc/33/89/05/618338905.db2.gz CIJZLRMQTHFDKN-UHFFFAOYSA-N 1 0 300.402 3.284 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC3(C2)COC(C)(C)C3)c1 ZINC000894501646 618362907 /nfs/dbraw/zinc/36/29/07/618362907.db2.gz FASLDSMENNLRQF-ZVLZOBCMSA-N 1 0 305.418 3.399 20 10 DGCDRO CCc1ccccc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893035728 618399662 /nfs/dbraw/zinc/39/96/62/618399662.db2.gz BLMQTMRACYXQAV-UHFFFAOYSA-N 1 0 301.386 3.262 20 10 DGCDRO COc1ccc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c(O)c1OC ZINC000894735451 618440649 /nfs/dbraw/zinc/44/06/49/618440649.db2.gz JMRXNFYJRLVVDH-ZBFHGGJFSA-N 1 0 303.402 3.030 20 10 DGCDRO COc1ccc(C[NH+]2CC(C)(CC(F)(F)F)C2)c(O)c1OC ZINC000894843646 618473611 /nfs/dbraw/zinc/47/36/11/618473611.db2.gz OEYDIWDVISFDEZ-UHFFFAOYSA-N 1 0 319.323 3.184 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c1O ZINC000894898767 618492711 /nfs/dbraw/zinc/49/27/11/618492711.db2.gz KWAKCLVQCWASEP-ZDUSSCGKSA-N 1 0 304.217 3.383 20 10 DGCDRO COc1ccc(C[NH2+]CCc2sccc2C)c(O)c1OC ZINC000893289954 618498171 /nfs/dbraw/zinc/49/81/71/618498171.db2.gz KRLLBKLYXHDBSB-UHFFFAOYSA-N 1 0 307.415 3.112 20 10 DGCDRO COc1ccc(C[NH2+]C2(c3ccccc3C)CC2)c(O)c1OC ZINC000895092986 618535800 /nfs/dbraw/zinc/53/58/00/618535800.db2.gz ZUBANJCEKUWOMY-UHFFFAOYSA-N 1 0 313.397 3.497 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(O)c1OC ZINC000895179838 618568656 /nfs/dbraw/zinc/56/86/56/618568656.db2.gz HPASLDIQINUKOY-OAHLLOKOSA-N 1 0 313.344 3.031 20 10 DGCDRO CCc1nc(CC[NH2+]Cc2ccc(N(C)C)cc2C)cs1 ZINC000840932797 618609479 /nfs/dbraw/zinc/60/94/79/618609479.db2.gz JSNSBROYLFZOAV-UHFFFAOYSA-N 1 0 303.475 3.412 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(Cl)c1 ZINC000840942216 618615535 /nfs/dbraw/zinc/61/55/35/618615535.db2.gz VRGHPZUDEZKDNT-UHFFFAOYSA-N 1 0 304.777 3.013 20 10 DGCDRO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000925784387 618619396 /nfs/dbraw/zinc/61/93/96/618619396.db2.gz NDNVRQLQWMHCIV-JIMOISOXSA-N 1 0 302.340 3.060 20 10 DGCDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC000893994829 618688445 /nfs/dbraw/zinc/68/84/45/618688445.db2.gz KAZMZDOAPOLJDN-LBPRGKRZSA-N 1 0 307.340 3.053 20 10 DGCDRO CCCO[C@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000894016339 618695221 /nfs/dbraw/zinc/69/52/21/618695221.db2.gz BYSCDNOXSJLPPI-INIZCTEOSA-N 1 0 307.434 3.490 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)[C@H](CCO)c2ccccc2)c1O ZINC000894028579 618697027 /nfs/dbraw/zinc/69/70/27/618697027.db2.gz UCBBTWYZBXPQMK-QGZVFWFLSA-N 1 0 315.413 3.265 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1OC ZINC000894140234 618718987 /nfs/dbraw/zinc/71/89/87/618718987.db2.gz BAHIXMHHTCAAGH-GXSJLCMTSA-N 1 0 319.323 3.182 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2COc3ccccc3C2)c(O)c1 ZINC000894186485 618726108 /nfs/dbraw/zinc/72/61/08/618726108.db2.gz XEKAFJHRQHXCHA-CJNGLKHVSA-N 1 0 313.397 3.130 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)C[C@H](O)c2ccccc2)c1O ZINC000894365863 618772491 /nfs/dbraw/zinc/77/24/91/618772491.db2.gz AXVCKTAGIPNCBU-PBHICJAKSA-N 1 0 315.413 3.311 20 10 DGCDRO COc1ccc(F)c(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000895380620 618776040 /nfs/dbraw/zinc/77/60/40/618776040.db2.gz ZURATOBYLOKQEP-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1O ZINC000895415877 618781553 /nfs/dbraw/zinc/78/15/53/618781553.db2.gz OEFLYJNZJSGOPJ-APWZRJJASA-N 1 0 313.397 3.329 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3nccs3)C2)c1O ZINC000895585082 618802865 /nfs/dbraw/zinc/80/28/65/618802865.db2.gz VPJSPBVHJSYJHC-ZDUSSCGKSA-N 1 0 304.415 3.237 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1O ZINC000895823274 618836752 /nfs/dbraw/zinc/83/67/52/618836752.db2.gz ZAVIUZGRQWCSMA-XNWVLMOPSA-N 1 0 319.445 3.017 20 10 DGCDRO COC(=O)c1c[nH]c(C[NH2+][C@@H](C)c2ccccc2O)c1C1CC1 ZINC000895850629 618842081 /nfs/dbraw/zinc/84/20/81/618842081.db2.gz CZNISVMCVDLTQB-NSHDSACASA-N 1 0 314.385 3.235 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000896451601 618912940 /nfs/dbraw/zinc/91/29/40/618912940.db2.gz GVJMSNDQADWMQG-MEMLXQNLSA-N 1 0 324.468 3.243 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(c3ccn(C)n3)CC2)c(Cl)c1 ZINC000896494627 618920099 /nfs/dbraw/zinc/92/00/99/618920099.db2.gz JJBFYJDTLOLAIT-UHFFFAOYSA-N 1 0 319.836 3.467 20 10 DGCDRO CC(C)O[C@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCOC1 ZINC000896668903 618942294 /nfs/dbraw/zinc/94/22/94/618942294.db2.gz MOCLDCSUFYYGJY-IBGZPJMESA-N 1 0 315.413 3.219 20 10 DGCDRO OCC1(C(F)(F)F)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000897036911 619005263 /nfs/dbraw/zinc/00/52/63/619005263.db2.gz ADKGOROKGJRJTI-UHFFFAOYSA-N 1 0 323.742 3.182 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)c1O ZINC000897080744 619011905 /nfs/dbraw/zinc/01/19/05/619011905.db2.gz BHPUVCDEWLSFKJ-HNNXBMFYSA-N 1 0 323.824 3.275 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(F)ccc2O)c(C)c1OC ZINC000897246678 619036928 /nfs/dbraw/zinc/03/69/28/619036928.db2.gz YBRNRGXIIOZPJO-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000897269874 619039935 /nfs/dbraw/zinc/03/99/35/619039935.db2.gz RCXFFKFXPOXGDW-HNNXBMFYSA-N 1 0 305.418 3.039 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000021045691 619058292 /nfs/dbraw/zinc/05/82/92/619058292.db2.gz RKLNYJGUBHYBHH-UHFFFAOYSA-N 1 0 305.761 3.107 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897431739 619118583 /nfs/dbraw/zinc/11/85/83/619118583.db2.gz ALXDCTRARDFMSU-UHFFFAOYSA-N 1 0 305.809 3.332 20 10 DGCDRO COc1cccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000897469575 619131639 /nfs/dbraw/zinc/13/16/39/619131639.db2.gz MUMOKKZTCZNORB-LBPRGKRZSA-N 1 0 316.357 3.202 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(Cl)cc1O ZINC000841745197 619135880 /nfs/dbraw/zinc/13/58/80/619135880.db2.gz NNGURPWSNLKMLD-NSHDSACASA-N 1 0 305.809 3.357 20 10 DGCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cccc(C)c1O ZINC000897523283 619145122 /nfs/dbraw/zinc/14/51/22/619145122.db2.gz SSLBKGSXIMCZQZ-CQSZACIVSA-N 1 0 305.340 3.274 20 10 DGCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(C)ccc1O ZINC000897523874 619145249 /nfs/dbraw/zinc/14/52/49/619145249.db2.gz YVDGRDVQFIGMIP-AWEZNQCLSA-N 1 0 305.340 3.274 20 10 DGCDRO CN(C)c1ccc([C@@H](CNc2ncccc2F)[NH+](C)C)cc1 ZINC000897525086 619148416 /nfs/dbraw/zinc/14/84/16/619148416.db2.gz JUEXUNHHSQGJEC-MRXNPFEDSA-N 1 0 302.397 3.002 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(C3(O)CCC3)CC2)cc1 ZINC000897527418 619148847 /nfs/dbraw/zinc/14/88/47/619148847.db2.gz LVRPWVDPIULTPS-HWKANZROSA-N 1 0 300.446 3.051 20 10 DGCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc(C)c(C)cc3O)C2)n1 ZINC000897579139 619162388 /nfs/dbraw/zinc/16/23/88/619162388.db2.gz PETJEAWBQZXQIR-HNNXBMFYSA-N 1 0 315.417 3.155 20 10 DGCDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCc1ccc(N)cc1 ZINC000841035896 619175598 /nfs/dbraw/zinc/17/55/98/619175598.db2.gz PYEWFEJRXDJWCE-IBGZPJMESA-N 1 0 316.420 3.188 20 10 DGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCS1 ZINC000897799318 619183778 /nfs/dbraw/zinc/18/37/78/619183778.db2.gz FRKPZJNELWXUHQ-MRXNPFEDSA-N 1 0 320.502 3.287 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1cncs1 ZINC000897930140 619195687 /nfs/dbraw/zinc/19/56/87/619195687.db2.gz JKQBTAZZLIIQIC-MRVPVSSYSA-N 1 0 313.220 3.462 20 10 DGCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)c1cncs1 ZINC000897929787 619195768 /nfs/dbraw/zinc/19/57/68/619195768.db2.gz AGBYZSHCZGPYSR-MRVPVSSYSA-N 1 0 313.220 3.462 20 10 DGCDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(N(C)C)cc1C)CCO2 ZINC000897974541 619196849 /nfs/dbraw/zinc/19/68/49/619196849.db2.gz MHOOKQJMLOQPCH-MOPGFXCFSA-N 1 0 318.461 3.226 20 10 DGCDRO CC1(C)CC2(CC([NH2+]Cc3ccc4c(c3)CCCO4)C2)CO1 ZINC000897969490 619200659 /nfs/dbraw/zinc/20/06/59/619200659.db2.gz KVNZZWRDOZGIJG-UHFFFAOYSA-N 1 0 301.430 3.449 20 10 DGCDRO FC1(F)CC[C@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000898018890 619206506 /nfs/dbraw/zinc/20/65/06/619206506.db2.gz FLNJUNQWIVCZCN-OAHLLOKOSA-N 1 0 324.415 3.438 20 10 DGCDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000898078073 619213883 /nfs/dbraw/zinc/21/38/83/619213883.db2.gz UXMGKTVYMITXLO-KFWWJZLASA-N 1 0 318.417 3.022 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC23CCCC3)c1O ZINC000898112457 619214938 /nfs/dbraw/zinc/21/49/38/619214938.db2.gz RQGAZAQMPNQMKK-CQSZACIVSA-N 1 0 311.809 3.246 20 10 DGCDRO CCc1cccc(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1O ZINC000898165942 619219654 /nfs/dbraw/zinc/21/96/54/619219654.db2.gz SZQACYVRBCGCCN-KRWDZBQOSA-N 1 0 323.440 3.334 20 10 DGCDRO COc1ccc(C[N@H+](CCCO)Cc2cc(C)ccc2O)cc1 ZINC000898172820 619220683 /nfs/dbraw/zinc/22/06/83/619220683.db2.gz BAIKFENWFLKUQP-UHFFFAOYSA-N 1 0 315.413 3.094 20 10 DGCDRO Cc1ncccc1CC[NH2+]Cc1ccc(Br)cc1O ZINC000898251764 619228305 /nfs/dbraw/zinc/22/83/05/619228305.db2.gz LBBLMORARVUBOY-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO Cc1cc(Cl)cc(CNc2ccc(OCC[NH3+])cc2)c1O ZINC000841055188 619249095 /nfs/dbraw/zinc/24/90/95/619249095.db2.gz UBDJAZBPJSXAHF-UHFFFAOYSA-N 1 0 306.793 3.304 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccs2)N(C)C)cc1 ZINC000898450380 619276106 /nfs/dbraw/zinc/27/61/06/619276106.db2.gz BGPYKPGJOQPVIK-KRWDZBQOSA-N 1 0 303.475 3.207 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]CC2CCSCC2)N(C)C)cc1 ZINC000898446832 619276817 /nfs/dbraw/zinc/27/68/17/619276817.db2.gz CBVDOWDRMNBVNV-SFHVURJKSA-N 1 0 321.534 3.088 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000898516510 619283510 /nfs/dbraw/zinc/28/35/10/619283510.db2.gz UECUEHYAWNPEML-DOTOQJQBSA-N 1 0 319.445 3.430 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000898516513 619283600 /nfs/dbraw/zinc/28/36/00/619283600.db2.gz UECUEHYAWNPEML-WBVHZDCISA-N 1 0 319.445 3.430 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cccnc1 ZINC000901707348 619536694 /nfs/dbraw/zinc/53/66/94/619536694.db2.gz UXVHXHSYHNDSGZ-KXBFYZLASA-N 1 0 312.461 3.101 20 10 DGCDRO CC[C@H]([NH3+])c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379483 625356986 /nfs/dbraw/zinc/35/69/86/625356986.db2.gz SDFYVCGUSAWJCG-INIZCTEOSA-N 1 0 313.449 3.035 20 10 DGCDRO CC[C@H]1c2ccccc2C[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000902666449 619662369 /nfs/dbraw/zinc/66/23/69/619662369.db2.gz PYJODNOCLBSDGL-FUHWJXTLSA-N 1 0 311.381 3.285 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000128989660 625363673 /nfs/dbraw/zinc/36/36/73/625363673.db2.gz AZKMHGBGBONELI-DNVCBOLYSA-N 1 0 323.440 3.209 20 10 DGCDRO CC[C@H]([NH2+][C@H](c1nncn1C)C(C)C)c1ccc(C)cc1O ZINC000903063417 619709019 /nfs/dbraw/zinc/70/90/19/619709019.db2.gz FCGWCXGCYAMJEH-HOCLYGCPSA-N 1 0 302.422 3.267 20 10 DGCDRO CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000903047980 619710460 /nfs/dbraw/zinc/71/04/60/619710460.db2.gz VGLKTBFORCFLLY-FRQCXROJSA-N 1 0 318.461 3.211 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC000903174989 619729977 /nfs/dbraw/zinc/72/99/77/619729977.db2.gz BRECDKGGDNSCQR-DMDPSCGWSA-N 1 0 301.308 3.079 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000903178765 619731080 /nfs/dbraw/zinc/73/10/80/619731080.db2.gz JIOZWHSLVQHVRW-CHIMOYNISA-N 1 0 319.323 3.161 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nc(CN(C)C)cs2)c1 ZINC000903223065 619741678 /nfs/dbraw/zinc/74/16/78/619741678.db2.gz SLDXIWSWMFPTMS-LBPRGKRZSA-N 1 0 305.447 3.070 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cnn(CC3CCC3)c2)c1O ZINC000903240077 619742627 /nfs/dbraw/zinc/74/26/27/619742627.db2.gz OBVDZEHZSHNWLV-CYBMUJFWSA-N 1 0 315.417 3.248 20 10 DGCDRO CC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC2(CC1)OCCO2 ZINC000903269680 619749703 /nfs/dbraw/zinc/74/97/03/619749703.db2.gz YEWYDDYECUZMFA-OAHLLOKOSA-N 1 0 317.429 3.293 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1cc(F)ccc1O ZINC000903271619 619750231 /nfs/dbraw/zinc/75/02/31/619750231.db2.gz OLYACVLHZMUYFG-VVFCZOMOSA-N 1 0 315.388 3.275 20 10 DGCDRO CC[C@H]([NH2+]C[C@]1(OC)CCSC1)c1ccc(N(C)C)cc1 ZINC000903308892 619756974 /nfs/dbraw/zinc/75/69/74/619756974.db2.gz AITMYXPXDVAONZ-DLBZAZTESA-N 1 0 308.491 3.315 20 10 DGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1cc(F)ccc1O ZINC000903312279 619757978 /nfs/dbraw/zinc/75/79/78/619757978.db2.gz YKLMHLYYWIXEKK-PIGZYNQJSA-N 1 0 307.340 3.229 20 10 DGCDRO C[C@@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(F)c1 ZINC000903312296 619758166 /nfs/dbraw/zinc/75/81/66/619758166.db2.gz YQVFQDALIQHCSE-CRAIPNDOSA-N 1 0 301.361 3.016 20 10 DGCDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CCSC1 ZINC000903314384 619758463 /nfs/dbraw/zinc/75/84/63/619758463.db2.gz MTEAMWQAPOSPSV-QMTHXVAHSA-N 1 0 301.839 3.218 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c(O)c1 ZINC000903341777 619760542 /nfs/dbraw/zinc/76/05/42/619760542.db2.gz RXPUHPZRJPORTP-SNVBAGLBSA-N 1 0 313.323 3.304 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cn(C)cn1)c1cc(Br)ccc1O ZINC000903351345 619763413 /nfs/dbraw/zinc/76/34/13/619763413.db2.gz JWAMWQCBMJPNMI-CYBMUJFWSA-N 1 0 324.222 3.129 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(OC(C)C)CCOC2)c(O)c1C ZINC000903356354 619764426 /nfs/dbraw/zinc/76/44/26/619764426.db2.gz CAHGGJOTURQJPG-CRAIPNDOSA-N 1 0 307.434 3.244 20 10 DGCDRO CC(C)O[C@]1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CCOC1 ZINC000903357234 619764767 /nfs/dbraw/zinc/76/47/67/619764767.db2.gz LJLUCJYYOZYPSL-DFHBCGBQSA-N 1 0 323.408 3.253 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)c1O ZINC000903366498 619765827 /nfs/dbraw/zinc/76/58/27/619765827.db2.gz AKCZPAQRIBBGMD-GDZNZVCISA-N 1 0 303.402 3.011 20 10 DGCDRO C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1c(O)cccc1F ZINC000903379516 619768208 /nfs/dbraw/zinc/76/82/08/619768208.db2.gz XIZASDFQPBTWGG-BBRMVZONSA-N 1 0 317.408 3.270 20 10 DGCDRO Cc1ccc(O)c([C@H](C)N[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000903378470 619768300 /nfs/dbraw/zinc/76/83/00/619768300.db2.gz CJPAQOLGAMFNJI-YJBOKZPZSA-N 1 0 313.445 3.439 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(N(C)C)cc1 ZINC000903386337 619769878 /nfs/dbraw/zinc/76/98/78/619769878.db2.gz BBRIMARMYRIAPP-QZTJIDSGSA-N 1 0 318.461 3.131 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCOC23CCOCC3)cc1 ZINC000903388725 619770642 /nfs/dbraw/zinc/77/06/42/619770642.db2.gz MTNXMRAAJVSMCD-QAPCUYQASA-N 1 0 318.461 3.131 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959254 619839561 /nfs/dbraw/zinc/83/95/61/619839561.db2.gz DAFSPXFNXABOTC-INIZCTEOSA-N 1 0 312.816 3.150 20 10 DGCDRO COc1cccc(O)c1CN(CC[NH3+])Cc1cccc(Cl)c1 ZINC000903953704 619845531 /nfs/dbraw/zinc/84/55/31/619845531.db2.gz JJFPIXSYUASBQY-UHFFFAOYSA-N 1 0 320.820 3.015 20 10 DGCDRO CC(C)(C[NH3+])C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000904445136 619923112 /nfs/dbraw/zinc/92/31/12/619923112.db2.gz WTXKGORRDSWTKL-UHFFFAOYSA-N 1 0 314.832 3.382 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(Br)cc1O ZINC000757658629 620458980 /nfs/dbraw/zinc/45/89/80/620458980.db2.gz SHFRLYDYXSXJSG-MNOVXSKESA-N 1 0 314.223 3.232 20 10 DGCDRO Cc1cc(C(=O)NC[C@H](C)[NH+](C)C)c(C)n1-c1ccccc1C ZINC000914879620 620559237 /nfs/dbraw/zinc/55/92/37/620559237.db2.gz NVLVZZWYJFHQBV-HNNXBMFYSA-N 1 0 313.445 3.082 20 10 DGCDRO Cc1cc(C(=O)NC[C@@H](C)[NH+](C)C)c(C)n1-c1ccccc1C ZINC000914879621 620559255 /nfs/dbraw/zinc/55/92/55/620559255.db2.gz NVLVZZWYJFHQBV-OAHLLOKOSA-N 1 0 313.445 3.082 20 10 DGCDRO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000153672255 620592537 /nfs/dbraw/zinc/59/25/37/620592537.db2.gz RWSICSQWVMPOAZ-UHFFFAOYSA-N 1 0 306.425 3.427 20 10 DGCDRO Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000153695972 620594589 /nfs/dbraw/zinc/59/45/89/620594589.db2.gz RORIMBSSFZJUIU-SFHVURJKSA-N 1 0 312.413 3.277 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cc1OC ZINC000113310808 620900009 /nfs/dbraw/zinc/90/00/09/620900009.db2.gz MEKNRBTXYRFRNA-UHFFFAOYSA-N 1 0 321.804 3.395 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000113315099 620900421 /nfs/dbraw/zinc/90/04/21/620900421.db2.gz UVHLVMJJYOQEEU-UHFFFAOYSA-N 1 0 305.761 3.107 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc3c2OCC3)cc1F ZINC000921622812 620916830 /nfs/dbraw/zinc/91/68/30/620916830.db2.gz HXIOFARSJBHNIB-UHFFFAOYSA-N 1 0 300.377 3.116 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)ccc21 ZINC000921625300 620917693 /nfs/dbraw/zinc/91/76/93/620917693.db2.gz KIPMWMYCYBQSMA-YTQUADARSA-N 1 0 314.473 3.364 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921815218 620954348 /nfs/dbraw/zinc/95/43/48/620954348.db2.gz IXNLSGWHWMRWIQ-JKSBSHDWSA-N 1 0 321.486 3.181 20 10 DGCDRO CCC[N@H+](Cc1cccc(C(=O)NC)c1)Cc1ccccc1O ZINC000113931505 620964247 /nfs/dbraw/zinc/96/42/47/620964247.db2.gz RDBIFKWPIXBNND-UHFFFAOYSA-N 1 0 312.413 3.164 20 10 DGCDRO CC(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccnn1C ZINC000922044077 620983050 /nfs/dbraw/zinc/98/30/50/620983050.db2.gz HJZLOKHNDMOXCA-KRWDZBQOSA-N 1 0 313.445 3.275 20 10 DGCDRO C[C@H](O)[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1F ZINC000922215337 621006548 /nfs/dbraw/zinc/00/65/48/621006548.db2.gz GJAIIEWICXEGKX-DJJJIMSYSA-N 1 0 315.388 3.362 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000922440615 621038117 /nfs/dbraw/zinc/03/81/17/621038117.db2.gz SNHQPHGIWVQFTK-YQVWRLOYSA-N 1 0 300.446 3.049 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)cc1F ZINC000922458518 621040322 /nfs/dbraw/zinc/04/03/22/621040322.db2.gz QNYMICSREFTABS-BXUZGUMPSA-N 1 0 320.330 3.091 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1CO ZINC000857061025 621053215 /nfs/dbraw/zinc/05/32/15/621053215.db2.gz IDFUGAVWSRJIDI-AEFFLSMTSA-N 1 0 302.462 3.127 20 10 DGCDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000922560708 621055360 /nfs/dbraw/zinc/05/53/60/621055360.db2.gz KXKPBDYGGGBIHE-UHFFFAOYSA-N 1 0 305.805 3.445 20 10 DGCDRO C[NH+](C)CC[C@H](NCc1c(O)cccc1Cl)c1cccnc1 ZINC000922627335 621069793 /nfs/dbraw/zinc/06/97/93/621069793.db2.gz IGSYVONPOPOHQN-INIZCTEOSA-N 1 0 319.836 3.223 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]23CCC[C@H]2OCC3)cc1 ZINC000922692858 621083126 /nfs/dbraw/zinc/08/31/26/621083126.db2.gz SKMLIWLGWDALTG-NYQZOWANSA-N 1 0 300.446 3.315 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]CCc1nc2c(s1)CCC2 ZINC000922714032 621088357 /nfs/dbraw/zinc/08/83/57/621088357.db2.gz CQXUIIPHGPTTKV-UHFFFAOYSA-N 1 0 308.834 3.323 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@]2(C)CCCCO2)ccc1OC ZINC000922818061 621104571 /nfs/dbraw/zinc/10/45/71/621104571.db2.gz UARKSJAWHJBDNB-GOSISDBHSA-N 1 0 307.434 3.281 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(C)c(C)cc3O)C2)n1 ZINC000922868333 621111947 /nfs/dbraw/zinc/11/19/47/621111947.db2.gz YDVAIKNUPYEWCS-HIFRSBDPSA-N 1 0 315.417 3.380 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1 ZINC000922869115 621112237 /nfs/dbraw/zinc/11/22/37/621112237.db2.gz FFJDASPMNMTPRA-IKUSVQGKSA-N 1 0 316.445 3.038 20 10 DGCDRO CCn1nc(C)c(C[NH2+]Cc2ccc(N(C)C)cc2C)c1C ZINC000115629193 621119329 /nfs/dbraw/zinc/11/93/29/621119329.db2.gz QDQBUPJQMCVPHJ-UHFFFAOYSA-N 1 0 300.450 3.184 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1 ZINC000922893412 621120597 /nfs/dbraw/zinc/12/05/97/621120597.db2.gz HELPDLYEGPDYGD-QGZVFWFLSA-N 1 0 303.406 3.011 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875467 621126515 /nfs/dbraw/zinc/12/65/15/621126515.db2.gz PFZNBESSTNEPCR-SCLBCKFNSA-N 1 0 310.397 3.065 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(C)cc1O ZINC000857876939 621127047 /nfs/dbraw/zinc/12/70/47/621127047.db2.gz ISINWAFVICWKEJ-PKOBYXMFSA-N 1 0 324.424 3.455 20 10 DGCDRO COc1cccc(C[NH2+]CC[C@@H]2OCCc3ccccc32)c1O ZINC000922963244 621140442 /nfs/dbraw/zinc/14/04/42/621140442.db2.gz LGGJPOAGKRWFAM-KRWDZBQOSA-N 1 0 313.397 3.195 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000922963260 621140573 /nfs/dbraw/zinc/14/05/73/621140573.db2.gz LITOKTSHEGEFKP-LJQANCHMSA-N 1 0 313.397 3.195 20 10 DGCDRO CS[C@H]1CC[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858146924 621157813 /nfs/dbraw/zinc/15/78/13/621157813.db2.gz CVOFTFYPRQTLRV-RYUDHWBXSA-N 1 0 300.418 3.405 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCNc2ccccc2)cc1F ZINC000858148957 621158616 /nfs/dbraw/zinc/15/86/16/621158616.db2.gz RUQNMNUUXPQDAX-UHFFFAOYSA-N 1 0 305.372 3.233 20 10 DGCDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1c(O)cccc1Br ZINC000858149940 621158921 /nfs/dbraw/zinc/15/89/21/621158921.db2.gz ANBKRIAACNMWIS-GHMZBOCLSA-N 1 0 314.223 3.059 20 10 DGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000858156849 621159661 /nfs/dbraw/zinc/15/96/61/621159661.db2.gz SGDXQHNXCVJXEL-CXAGYDPISA-N 1 0 312.404 3.324 20 10 DGCDRO COCC1CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858178260 621162033 /nfs/dbraw/zinc/16/20/33/621162033.db2.gz LLZLGCYQLBLDBO-UHFFFAOYSA-N 1 0 312.404 3.326 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1F ZINC000858184805 621162588 /nfs/dbraw/zinc/16/25/88/621162588.db2.gz OUNVIMVWQDWWHX-SFHVURJKSA-N 1 0 324.415 3.326 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccncc3Cl)C2)cc1 ZINC000858187416 621162953 /nfs/dbraw/zinc/16/29/53/621162953.db2.gz UMARLNCWMPHFRS-AWEZNQCLSA-N 1 0 317.820 3.112 20 10 DGCDRO CC(C)CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000858241317 621167134 /nfs/dbraw/zinc/16/71/34/621167134.db2.gz OXYOFHUBZBELTG-ZDUSSCGKSA-N 1 0 316.239 3.041 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000858239076 621167297 /nfs/dbraw/zinc/16/72/97/621167297.db2.gz HOLHCPBOMFHRBP-GOSISDBHSA-N 1 0 313.397 3.158 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3[C@@H](C)[C@H](C)O[C@H]3C)CC2)cc1 ZINC000858283613 621171166 /nfs/dbraw/zinc/17/11/66/621171166.db2.gz MNCQFFOSTYTKAU-XLPNERPQSA-N 1 0 318.461 3.066 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2Cc3ccccc3NC2=O)cc1 ZINC000858280717 621171271 /nfs/dbraw/zinc/17/12/71/621171271.db2.gz BEESWWFSPARIPS-IBGZPJMESA-N 1 0 323.440 3.186 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1 ZINC000858294843 621172571 /nfs/dbraw/zinc/17/25/71/621172571.db2.gz PIUJGPJIWVPRDH-WOVMCDHWSA-N 1 0 316.470 3.245 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000858297139 621172934 /nfs/dbraw/zinc/17/29/34/621172934.db2.gz BEYQVJAXRKUKCF-WMLDXEAASA-N 1 0 319.445 3.355 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC=C(C(=O)OC)C2)cc1 ZINC000858471954 621195270 /nfs/dbraw/zinc/19/52/70/621195270.db2.gz FKOCRIVBTIIVFQ-XJKSGUPXSA-N 1 0 302.418 3.055 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000858474233 621195719 /nfs/dbraw/zinc/19/57/19/621195719.db2.gz XCPDBSDDFOPJCN-RDJZCZTQSA-N 1 0 302.418 3.055 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000858505598 621199268 /nfs/dbraw/zinc/19/92/68/621199268.db2.gz NCOGGOHJMBCLGV-WMZOPIPTSA-N 1 0 316.445 3.445 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000858505596 621199389 /nfs/dbraw/zinc/19/93/89/621199389.db2.gz NCOGGOHJMBCLGV-FUHWJXTLSA-N 1 0 316.445 3.445 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(N(C)C)cc1 ZINC000858528896 621201730 /nfs/dbraw/zinc/20/17/30/621201730.db2.gz HBUTUKKSTSTCOC-KUHUBIRLSA-N 1 0 323.440 3.230 20 10 DGCDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000840808814 621208784 /nfs/dbraw/zinc/20/87/84/621208784.db2.gz MRILIEHZFBJMII-HOCLYGCPSA-N 1 0 315.413 3.136 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Cl)ccc1O ZINC000858603953 621209189 /nfs/dbraw/zinc/20/91/89/621209189.db2.gz YIJHLQWZRRHHEY-CABCVRRESA-N 1 0 322.836 3.240 20 10 DGCDRO CC(C)(C)CNC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000859138386 621252581 /nfs/dbraw/zinc/25/25/81/621252581.db2.gz DQWJGTFUVDFWDI-UHFFFAOYSA-N 1 0 318.461 3.299 20 10 DGCDRO Oc1ccccc1C[N@H+](CCOC1CCOCC1)C1CCCC1 ZINC000859140704 621252859 /nfs/dbraw/zinc/25/28/59/621252859.db2.gz YVBPCXDCCPTIPH-UHFFFAOYSA-N 1 0 319.445 3.332 20 10 DGCDRO CCO[C@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000859191134 621258979 /nfs/dbraw/zinc/25/89/79/621258979.db2.gz WQKXZRNMAFJBKC-PKOBYXMFSA-N 1 0 319.445 3.188 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cc1 ZINC000859588511 621296075 /nfs/dbraw/zinc/29/60/75/621296075.db2.gz IWANKTZQCBTVLB-HXUWFJFHSA-N 1 0 310.441 3.236 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@H](OCC)[C@H]1SC ZINC000839055891 621319664 /nfs/dbraw/zinc/31/96/64/621319664.db2.gz HMXIHUYZJHNQAX-IKGGRYGDSA-N 1 0 308.491 3.271 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000839144620 621332313 /nfs/dbraw/zinc/33/23/13/621332313.db2.gz IHIBCLAXFQFOAB-ZDUSSCGKSA-N 1 0 324.415 3.470 20 10 DGCDRO COc1cc(CC2C[NH+](Cc3ccccc3O)C2)cc(OC)c1 ZINC000839138710 621339856 /nfs/dbraw/zinc/33/98/56/621339856.db2.gz PIZIUYWAJOBZEF-UHFFFAOYSA-N 1 0 313.397 3.084 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1 ZINC000839192785 621347630 /nfs/dbraw/zinc/34/76/30/621347630.db2.gz TUJZQTCYVGOGHR-JKSUJKDBSA-N 1 0 307.434 3.473 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)ccc1N1CCCCC1 ZINC000859969690 621350765 /nfs/dbraw/zinc/35/07/65/621350765.db2.gz BPPPXJPNJZOTQZ-HDICACEKSA-N 1 0 302.462 3.188 20 10 DGCDRO COC(=O)CCC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000753167602 621429648 /nfs/dbraw/zinc/42/96/48/621429648.db2.gz ACCIPFBTJGXQHG-UHFFFAOYSA-N 1 0 305.418 3.174 20 10 DGCDRO COC[C@H](O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000117946351 621470310 /nfs/dbraw/zinc/47/03/10/621470310.db2.gz BTLBPPJCLMHLAT-OAHLLOKOSA-N 1 0 323.477 3.084 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000754727813 621528288 /nfs/dbraw/zinc/52/82/88/621528288.db2.gz QKNJHAWSHFBOCE-LJQANCHMSA-N 1 0 310.441 3.498 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCCC3(CCOCC3)C2)cc1F ZINC000862246747 621567566 /nfs/dbraw/zinc/56/75/66/621567566.db2.gz UFQJNWUWSRXXTR-UHFFFAOYSA-N 1 0 324.415 3.423 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1F ZINC000862293039 621572526 /nfs/dbraw/zinc/57/25/26/621572526.db2.gz MTEWDDJPCBKQDD-QGZVFWFLSA-N 1 0 324.415 3.422 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1F ZINC000862300427 621572975 /nfs/dbraw/zinc/57/29/75/621572975.db2.gz PBQUXVJSQSOTEH-SJKOYZFVSA-N 1 0 312.404 3.014 20 10 DGCDRO COC[C@H]1CCCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862333945 621575197 /nfs/dbraw/zinc/57/51/97/621575197.db2.gz PZQUTIURTXVINH-ZDUSSCGKSA-N 1 0 312.404 3.279 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862483603 621594017 /nfs/dbraw/zinc/59/40/17/621594017.db2.gz VGRCYZSFTILKAB-GOSISDBHSA-N 1 0 301.361 3.015 20 10 DGCDRO CCN(CC[NH2+][C@@H](C)c1cc(F)ccc1O)CCC(F)(F)F ZINC000756051417 621612006 /nfs/dbraw/zinc/61/20/06/621612006.db2.gz VQLMSBOAPVKBEW-NSHDSACASA-N 1 0 322.346 3.456 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C2(CC(=O)OC)CCCCC2)c1 ZINC000756133005 621617564 /nfs/dbraw/zinc/61/75/64/621617564.db2.gz VCICEXBGMNNCNM-UHFFFAOYSA-N 1 0 321.417 3.147 20 10 DGCDRO Oc1ccccc1C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000756140806 621618099 /nfs/dbraw/zinc/61/80/99/621618099.db2.gz RYUOJIIKAJLZSZ-UHFFFAOYSA-N 1 0 307.397 3.121 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c(O)c1C ZINC000756365512 621631601 /nfs/dbraw/zinc/63/16/01/621631601.db2.gz ASGZRZSYYAFZNM-INMHGKMJSA-N 1 0 320.477 3.159 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(C3CC3)CC2)c2c1c(F)ccc2O ZINC000756368880 621631954 /nfs/dbraw/zinc/63/19/54/621631954.db2.gz RJZKQXXINGVUTA-ABAIWWIYSA-N 1 0 304.409 3.296 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000756382152 621633518 /nfs/dbraw/zinc/63/35/18/621633518.db2.gz RMMPRJWGIQOHNC-PXAZEXFGSA-N 1 0 301.386 3.248 20 10 DGCDRO Cc1n[nH]cc1CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756398432 621635669 /nfs/dbraw/zinc/63/56/69/621635669.db2.gz GADXJZYNODZKHP-IINYFYTJSA-N 1 0 303.381 3.334 20 10 DGCDRO COc1cccc(CC[NH2+][C@H](C)c2cc(F)ccc2O)c1OC ZINC000756420075 621637284 /nfs/dbraw/zinc/63/72/84/621637284.db2.gz BCSGGKRIQABORG-GFCCVEGCSA-N 1 0 319.376 3.442 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000756454362 621639599 /nfs/dbraw/zinc/63/95/99/621639599.db2.gz MBLVPGBGKYUZDG-QXSJWSMHSA-N 1 0 320.477 3.418 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C)C2CCCCC2)c1 ZINC000756459249 621639679 /nfs/dbraw/zinc/63/96/79/621639679.db2.gz ZAKMUPYQNZFXSL-AWEZNQCLSA-N 1 0 306.450 3.316 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c1 ZINC000756459793 621639891 /nfs/dbraw/zinc/63/98/91/621639891.db2.gz XIRPCCALCQDVNA-KGLIPLIRSA-N 1 0 313.397 3.303 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(F)ccc1O ZINC000756460842 621639911 /nfs/dbraw/zinc/63/99/11/621639911.db2.gz UIRHEQNVTUYNLI-UKRRQHHQSA-N 1 0 303.377 3.033 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3C2)c1 ZINC000756459797 621640085 /nfs/dbraw/zinc/64/00/85/621640085.db2.gz XIRPCCALCQDVNA-ZIAGYGMSSA-N 1 0 313.397 3.303 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c(O)c1C ZINC000756475898 621640771 /nfs/dbraw/zinc/64/07/71/621640771.db2.gz PKLJIUOGZCNRNE-JKSUJKDBSA-N 1 0 324.424 3.465 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2Cc3ccccc3C2)c1 ZINC000756478207 621640791 /nfs/dbraw/zinc/64/07/91/621640791.db2.gz GPJPVPMUTAXLKK-CQSZACIVSA-N 1 0 312.413 3.067 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)c(O)c1C ZINC000756504799 621642838 /nfs/dbraw/zinc/64/28/38/621642838.db2.gz YWTFKOQHWZGDOO-CYBMUJFWSA-N 1 0 312.404 3.389 20 10 DGCDRO COCCOCCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756516175 621644575 /nfs/dbraw/zinc/64/45/75/621644575.db2.gz IDFMMVCXTKQPAU-GXTWGEPZSA-N 1 0 311.397 3.112 20 10 DGCDRO COCCOCCCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756517956 621644598 /nfs/dbraw/zinc/64/45/98/621644598.db2.gz RNPJBDKHXOERHA-GFCCVEGCSA-N 1 0 301.814 3.139 20 10 DGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756537082 621645780 /nfs/dbraw/zinc/64/57/80/621645780.db2.gz ZTFNCEFKNIIUOV-PKFCDNJMSA-N 1 0 303.381 3.472 20 10 DGCDRO C[C@H]([NH2+]CC1(O)CCCC1)c1cc(Br)ccc1O ZINC000756575934 621650821 /nfs/dbraw/zinc/65/08/21/621650821.db2.gz RJKADMDBHUQCJL-JTQLQIEISA-N 1 0 314.223 3.110 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)[nH]n1 ZINC000756587071 621651332 /nfs/dbraw/zinc/65/13/32/621651332.db2.gz YWEAOAUKYSZORS-VIFPVBQESA-N 1 0 310.195 3.037 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Cl)ccc1O ZINC000756582131 621651378 /nfs/dbraw/zinc/65/13/78/621651378.db2.gz GJWDGBXSBHTWNM-SGMGOOAPSA-N 1 0 324.852 3.343 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C(C)C ZINC000756596921 621651603 /nfs/dbraw/zinc/65/16/03/621651603.db2.gz ILYJRTJVICHDGC-MFKMUULPSA-N 1 0 316.239 3.476 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccsc2)c2c1c(F)ccc2O ZINC000756592054 621651874 /nfs/dbraw/zinc/65/18/74/621651874.db2.gz IHKNTTLZWRIHSS-LJWDBELGSA-N 1 0 307.390 3.464 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000756614936 621652664 /nfs/dbraw/zinc/65/26/64/621652664.db2.gz CIEVMOFBOAHOOQ-HUUCEWRRSA-N 1 0 302.462 3.406 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2csc(N(C)C)n2)c2c1c(F)ccc2O ZINC000756635796 621654563 /nfs/dbraw/zinc/65/45/63/621654563.db2.gz HMQDFHHSVZEJJO-SKDRFNHKSA-N 1 0 321.421 3.392 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000756634592 621654718 /nfs/dbraw/zinc/65/47/18/621654718.db2.gz AZUIFRGJPKRFOL-GDBMZVCRSA-N 1 0 315.413 3.309 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c(O)c1C ZINC000756662220 621657166 /nfs/dbraw/zinc/65/71/66/621657166.db2.gz YVWDJCGUIXDKAO-CRAIPNDOSA-N 1 0 324.424 3.465 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c(O)c1C ZINC000756662222 621657294 /nfs/dbraw/zinc/65/72/94/621657294.db2.gz YVWDJCGUIXDKAO-QAPCUYQASA-N 1 0 324.424 3.465 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756711483 621659843 /nfs/dbraw/zinc/65/98/43/621659843.db2.gz LIRBZSWNJWOPHT-CJNGLKHVSA-N 1 0 301.386 3.093 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc2ccccc2c1O ZINC000756731084 621661348 /nfs/dbraw/zinc/66/13/48/621661348.db2.gz DKYCWHASYRCSJD-FHKFTOANSA-N 1 0 324.424 3.205 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cc(F)ccc1O ZINC000756763277 621662771 /nfs/dbraw/zinc/66/27/71/621662771.db2.gz WRSKDWFKQCFSLS-BLLLJJGKSA-N 1 0 320.408 3.116 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000756765789 621663442 /nfs/dbraw/zinc/66/34/42/621663442.db2.gz RBPUWQBWIMVGIV-HUUCEWRRSA-N 1 0 305.418 3.079 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c(O)c1C ZINC000756771522 621663510 /nfs/dbraw/zinc/66/35/10/621663510.db2.gz XPELVJRYZAVPQN-YWZLYKJASA-N 1 0 311.425 3.494 20 10 DGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)C2 ZINC000756774965 621663976 /nfs/dbraw/zinc/66/39/76/621663976.db2.gz MYWPOXDSPDBRFV-HIFRSBDPSA-N 1 0 313.397 3.364 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1cc(Cl)ccc1O ZINC000756791685 621664824 /nfs/dbraw/zinc/66/48/24/621664824.db2.gz UFMQOPOQNMCQDT-GFCCVEGCSA-N 1 0 305.805 3.431 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1O ZINC000756900682 621671499 /nfs/dbraw/zinc/67/14/99/621671499.db2.gz XCDJPKYNVFXYDN-UHFFFAOYSA-N 1 0 322.748 3.252 20 10 DGCDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000863542018 621682269 /nfs/dbraw/zinc/68/22/69/621682269.db2.gz DGLSPYLAHTYKNU-AQUOVQTQSA-N 1 0 303.233 3.490 20 10 DGCDRO [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646018 621693266 /nfs/dbraw/zinc/69/32/66/621693266.db2.gz FTUBLRIYCZKJLP-JQWIXIFHSA-N 1 0 322.758 3.005 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1 ZINC000839650636 621703743 /nfs/dbraw/zinc/70/37/43/621703743.db2.gz XRKHRCJUOZWXCP-UHFFFAOYSA-N 1 0 314.473 3.029 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000839637106 621706376 /nfs/dbraw/zinc/70/63/76/621706376.db2.gz VFVNIJGLKBZPPH-VQTJNVASSA-N 1 0 310.441 3.451 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)ccc1N(C)C ZINC000839638307 621706833 /nfs/dbraw/zinc/70/68/33/621706833.db2.gz ZMWCKTOKFRDRGB-UYAOXDASSA-N 1 0 310.441 3.369 20 10 DGCDRO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccc(N2CCCCC2)cc1 ZINC000757705542 621734815 /nfs/dbraw/zinc/73/48/15/621734815.db2.gz OJJOCWXSXIUCLJ-OAHLLOKOSA-N 1 0 318.461 3.479 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(O)c1 ZINC000757864682 621743742 /nfs/dbraw/zinc/74/37/42/621743742.db2.gz BTCHDWOVSPWHEI-WBVHZDCISA-N 1 0 307.434 3.020 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000758062593 621756013 /nfs/dbraw/zinc/75/60/13/621756013.db2.gz LSJTVVMBBBWQOZ-SFHVURJKSA-N 1 0 305.418 3.182 20 10 DGCDRO CCOc1ccc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c(O)c1 ZINC000758498110 621785255 /nfs/dbraw/zinc/78/52/55/621785255.db2.gz HPYGNWGEXNQWFG-QGZVFWFLSA-N 1 0 307.434 3.476 20 10 DGCDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000789592361 625530693 /nfs/dbraw/zinc/53/06/93/625530693.db2.gz CHJBTWCBGVSAFG-GOSISDBHSA-N 1 0 308.441 3.265 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2ccnc(F)c2)ccc1OC ZINC000865722039 621983271 /nfs/dbraw/zinc/98/32/71/621983271.db2.gz LIRDKEYGJXUGLH-UHFFFAOYSA-N 1 0 304.365 3.056 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c(O)c1 ZINC000865736121 621986403 /nfs/dbraw/zinc/98/64/03/621986403.db2.gz GGNFRQUWFZELHJ-ZWKOTPCHSA-N 1 0 305.418 3.228 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865753387 621988656 /nfs/dbraw/zinc/98/86/56/621988656.db2.gz LMSWSUGAJBAAAY-RKDXNWHRSA-N 1 0 310.113 3.195 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1O ZINC000865762562 621991026 /nfs/dbraw/zinc/99/10/26/621991026.db2.gz QRMSYPOBRSUMMX-RDJZCZTQSA-N 1 0 305.418 3.086 20 10 DGCDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000789587535 625529767 /nfs/dbraw/zinc/52/97/67/625529767.db2.gz YOYKHIJIIGMRQA-ZACQAIPSSA-N 1 0 302.462 3.390 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1O ZINC000761203199 621993664 /nfs/dbraw/zinc/99/36/64/621993664.db2.gz KWYNMPPILHLFIQ-FZMZJTMJSA-N 1 0 311.809 3.055 20 10 DGCDRO COc1cccc(C[NH2+]CCSCCC(F)(F)F)c1O ZINC000865788466 621996206 /nfs/dbraw/zinc/99/62/06/621996206.db2.gz SHFIRAOUBRAYNU-UHFFFAOYSA-N 1 0 309.353 3.176 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H]2c3ccccc3CN2C)c(O)c1 ZINC000865806675 621998389 /nfs/dbraw/zinc/99/83/89/621998389.db2.gz MLAJKKXAJHUVJZ-SFHVURJKSA-N 1 0 312.413 3.067 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1C ZINC000762619170 622087313 /nfs/dbraw/zinc/08/73/13/622087313.db2.gz XQCFYZMQZJGLQL-VNQPRFMTSA-N 1 0 309.500 3.473 20 10 DGCDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1ccc(N2CCCCC2)cc1 ZINC000762649529 622089435 /nfs/dbraw/zinc/08/94/35/622089435.db2.gz NHEGVNNYGGBHGS-MDCZIUGASA-N 1 0 302.462 3.489 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCc4ncccc43)C2)cc1 ZINC000866384948 622107755 /nfs/dbraw/zinc/10/77/55/622107755.db2.gz GUUFUQHVTKBLLX-YWZLYKJASA-N 1 0 323.440 3.336 20 10 DGCDRO CC[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000866437762 622118048 /nfs/dbraw/zinc/11/80/48/622118048.db2.gz NWNNZUOCHYFLER-OAHLLOKOSA-N 1 0 323.433 3.100 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Br)cc1O ZINC000866442872 622119113 /nfs/dbraw/zinc/11/91/13/622119113.db2.gz DQTCZHNDINHJKY-COMAGPEQSA-N 1 0 314.223 3.371 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000866477721 622124411 /nfs/dbraw/zinc/12/44/11/622124411.db2.gz BCOQLHZSNDGDJI-ZDUSSCGKSA-N 1 0 313.397 3.324 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c1 ZINC000866529884 622132240 /nfs/dbraw/zinc/13/22/40/622132240.db2.gz TVLCMASUVVZODM-KGLIPLIRSA-N 1 0 305.418 3.258 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c1O ZINC000866532055 622133268 /nfs/dbraw/zinc/13/32/68/622133268.db2.gz VIMOAZVPLXUPSY-KGLIPLIRSA-N 1 0 305.418 3.258 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2c3ccccc3CN2C)c1O ZINC000866561901 622138352 /nfs/dbraw/zinc/13/83/52/622138352.db2.gz AYTSOBBOVGTRFV-SUMWQHHRSA-N 1 0 312.413 3.238 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2c3ccccc3CN2C)c1 ZINC000866564360 622139519 /nfs/dbraw/zinc/13/95/19/622139519.db2.gz SYDVHRXLTBABPE-SCLBCKFNSA-N 1 0 312.413 3.238 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccnn1C ZINC000866612650 622147171 /nfs/dbraw/zinc/14/71/71/622147171.db2.gz AVLDQCVCPIHVNM-VHSXEESVSA-N 1 0 324.222 3.300 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@]2(OC)CCOC2)cc1 ZINC000763480958 622147507 /nfs/dbraw/zinc/14/75/07/622147507.db2.gz QEIDEMFYJZUENX-IBGZPJMESA-N 1 0 320.477 3.208 20 10 DGCDRO C[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1cc(F)ccc1O ZINC000866640231 622152293 /nfs/dbraw/zinc/15/22/93/622152293.db2.gz CKKZHDLXQLPKGE-NSHDSACASA-N 1 0 316.376 3.362 20 10 DGCDRO O=C1O[C@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)CC12CC2 ZINC000763693143 622158875 /nfs/dbraw/zinc/15/88/75/622158875.db2.gz ZFHPFBZXESXKOA-INIZCTEOSA-N 1 0 315.413 3.233 20 10 DGCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868249036 622227960 /nfs/dbraw/zinc/22/79/60/622227960.db2.gz IJHRRSHCKNNHLV-GJZGRUSLSA-N 1 0 319.449 3.017 20 10 DGCDRO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000122189051 622251962 /nfs/dbraw/zinc/25/19/62/622251962.db2.gz CILOFOQQKJJCII-LLVKDONJSA-N 1 0 303.333 3.453 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765289823 622257062 /nfs/dbraw/zinc/25/70/62/622257062.db2.gz ORTGAOUGGPPRKO-FUHWJXTLSA-N 1 0 312.457 3.254 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CCOCC1 ZINC000765480800 622267646 /nfs/dbraw/zinc/26/76/46/622267646.db2.gz NHDMIFLHRRFFSH-GOSISDBHSA-N 1 0 302.462 3.364 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)[C@H](O)C(F)(F)F ZINC000765786724 622287237 /nfs/dbraw/zinc/28/72/37/622287237.db2.gz IDPKFSURMDOLFS-CABCVRRESA-N 1 0 318.383 3.324 20 10 DGCDRO CC[C@H]([NH2+]CCCSc1nccs1)C1CCOCC1 ZINC000766074652 622303695 /nfs/dbraw/zinc/30/36/95/622303695.db2.gz YVEPQKMHLRXMQQ-ZDUSSCGKSA-N 1 0 300.493 3.420 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000766089349 622305237 /nfs/dbraw/zinc/30/52/37/622305237.db2.gz QIYJDPUXVMTXMM-IAGOWNOFSA-N 1 0 307.434 3.473 20 10 DGCDRO C[C@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccccc1O ZINC000869011492 622310312 /nfs/dbraw/zinc/31/03/12/622310312.db2.gz PXNSCFGJVQAURY-VNSJNIRKSA-N 1 0 319.449 3.015 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H](OC)C3(C)C)CC2)cc1 ZINC000766526916 622336741 /nfs/dbraw/zinc/33/67/41/622336741.db2.gz FLGCZBVSIWQFRQ-MSOLQXFVSA-N 1 0 318.461 3.067 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccoc1)c1ccc(N2CCOCC2)cc1 ZINC000766541763 622338058 /nfs/dbraw/zinc/33/80/58/622338058.db2.gz VDFVSKGANPVSMG-JKSUJKDBSA-N 1 0 314.429 3.398 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)c1 ZINC000789778166 625566023 /nfs/dbraw/zinc/56/60/23/625566023.db2.gz FUDXGDUDNBIKBY-RTBURBONSA-N 1 0 315.413 3.249 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(CO)o2)cc1 ZINC000768208531 622445403 /nfs/dbraw/zinc/44/54/03/622445403.db2.gz RZGONWVKVXLPIQ-UHFFFAOYSA-N 1 0 302.418 3.250 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)CCOc1ccccc1F ZINC000768211608 622445730 /nfs/dbraw/zinc/44/57/30/622445730.db2.gz AERFICDDYLSYCV-UHFFFAOYSA-N 1 0 305.349 3.051 20 10 DGCDRO CN(C)c1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000768239155 622447290 /nfs/dbraw/zinc/44/72/90/622447290.db2.gz GLABQJLIHJLFNQ-UHFFFAOYSA-N 1 0 319.468 3.342 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(N(C)C)nc2)C2CC2)cc1 ZINC000768256313 622447717 /nfs/dbraw/zinc/44/77/17/622447717.db2.gz BTTNLXRKNKQFNC-UHFFFAOYSA-N 1 0 324.472 3.378 20 10 DGCDRO CCCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000768290265 622448746 /nfs/dbraw/zinc/44/87/46/622448746.db2.gz DUMALYMLXJQIHX-UHFFFAOYSA-N 1 0 306.425 3.427 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000768338069 622450960 /nfs/dbraw/zinc/45/09/60/622450960.db2.gz YLGGLWZXDUSPBC-UHFFFAOYSA-N 1 0 316.357 3.331 20 10 DGCDRO CC(C)[N@H+](Cc1cnc(N)s1)Cc1ccc(N(C)C)cc1 ZINC000768357075 622452108 /nfs/dbraw/zinc/45/21/08/622452108.db2.gz HHBGKGWNWSLRAY-UHFFFAOYSA-N 1 0 304.463 3.202 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)cc1 ZINC000768379381 622453612 /nfs/dbraw/zinc/45/36/12/622453612.db2.gz HBSLILGXHAZPEL-HXUWFJFHSA-N 1 0 310.441 3.196 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000768423338 622455170 /nfs/dbraw/zinc/45/51/70/622455170.db2.gz KKMVUBPTBBJINM-UHFFFAOYSA-N 1 0 324.424 3.225 20 10 DGCDRO C[N@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768438006 622455487 /nfs/dbraw/zinc/45/54/87/622455487.db2.gz NMBBABUKDJJQEV-INIZCTEOSA-N 1 0 319.788 3.103 20 10 DGCDRO CC[N@H+](CCC(F)(F)F)Cc1cc(OC)c(OC)cc1O ZINC000768444579 622456175 /nfs/dbraw/zinc/45/61/75/622456175.db2.gz MNBYZLIENOUJIZ-UHFFFAOYSA-N 1 0 307.312 3.184 20 10 DGCDRO CC[N@H+](Cc1ccccc1C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440458 622456386 /nfs/dbraw/zinc/45/63/86/622456386.db2.gz WHXVPGKPBDAFOK-SFHVURJKSA-N 1 0 313.397 3.149 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCCCC3)CC1)[C@H](O)CO2 ZINC000768446607 622456728 /nfs/dbraw/zinc/45/67/28/622456728.db2.gz ZDGXWUWDKDFFLR-QGZVFWFLSA-N 1 0 317.429 3.364 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC=CCC3)C1)[C@@H](O)CO2 ZINC000768445664 622457140 /nfs/dbraw/zinc/45/71/40/622457140.db2.gz GKKVGTDVYQQPGM-HKUYNNGSSA-N 1 0 315.413 3.140 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1C ZINC000768460790 622457492 /nfs/dbraw/zinc/45/74/92/622457492.db2.gz PTRCNCFKEFDXKV-UHFFFAOYSA-N 1 0 322.449 3.308 20 10 DGCDRO CC(C)[N@@H+]1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768452814 622457521 /nfs/dbraw/zinc/45/75/21/622457521.db2.gz SROUNFYXHANEEU-UHFFFAOYSA-N 1 0 302.462 3.187 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC(C3CCCC3)CC1)[C@@H](O)CO2 ZINC000768466693 622458630 /nfs/dbraw/zinc/45/86/30/622458630.db2.gz UUQYZIKDJNUJIV-SFHVURJKSA-N 1 0 317.429 3.220 20 10 DGCDRO CCOc1cccc(CN2CC[NH+](CCC(C)(C)C)CC2)c1O ZINC000768936263 622486749 /nfs/dbraw/zinc/48/67/49/622486749.db2.gz ATBMOZBWAGGBBM-UHFFFAOYSA-N 1 0 320.477 3.345 20 10 DGCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000768940074 622486946 /nfs/dbraw/zinc/48/69/46/622486946.db2.gz GKQQMSJTNGIZCT-GFCCVEGCSA-N 1 0 305.809 3.159 20 10 DGCDRO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000768942396 622487155 /nfs/dbraw/zinc/48/71/55/622487155.db2.gz ZBIXYDMJIMQCTL-QGZVFWFLSA-N 1 0 310.445 3.231 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](CC)CCc2ccccn2)c1 ZINC000769034094 622493995 /nfs/dbraw/zinc/49/39/95/622493995.db2.gz ATYAEZFFMJAATC-UHFFFAOYSA-N 1 0 300.402 3.251 20 10 DGCDRO COc1cccc(O)c1C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000769107129 622498970 /nfs/dbraw/zinc/49/89/70/622498970.db2.gz UDNLVSKWOBVIRU-LIRRHRJNSA-N 1 0 313.397 3.363 20 10 DGCDRO CN(C)c1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000769233712 622509677 /nfs/dbraw/zinc/50/96/77/622509677.db2.gz OWSFAKZLJYAJMA-QGZVFWFLSA-N 1 0 319.468 3.342 20 10 DGCDRO CCOc1cccc(C[N@@H+](C)[C@H]2C[C@H](OCC)C2(C)C)c1O ZINC000769472907 622531491 /nfs/dbraw/zinc/53/14/91/622531491.db2.gz KRVJSMPDFOSTOR-HOTGVXAUSA-N 1 0 307.434 3.426 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)[C@@H](CC)CN1C(C)=O ZINC000769499191 622534671 /nfs/dbraw/zinc/53/46/71/622534671.db2.gz YJOVVNAERUKSDY-ROUUACIJSA-N 1 0 318.461 3.230 20 10 DGCDRO CN(CC(F)F)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000769511864 622536116 /nfs/dbraw/zinc/53/61/16/622536116.db2.gz YDJHZIBRQDPIBC-UHFFFAOYSA-N 1 0 318.795 3.207 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000769516959 622537519 /nfs/dbraw/zinc/53/75/19/622537519.db2.gz WOLMVMUJHLBELL-KRWDZBQOSA-N 1 0 319.468 3.055 20 10 DGCDRO CCC1(CC)[C@H]([N@H+](C)Cc2cccc(OC)c2O)C[C@@H]1OC ZINC000770353765 622623735 /nfs/dbraw/zinc/62/37/35/622623735.db2.gz ULPQTLAUAJYDLQ-CVEARBPZSA-N 1 0 307.434 3.426 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000770374373 622625760 /nfs/dbraw/zinc/62/57/60/622625760.db2.gz MXFJSPUFQPRGLD-HOCLYGCPSA-N 1 0 305.418 3.039 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000770374369 622626227 /nfs/dbraw/zinc/62/62/27/622626227.db2.gz MXFJSPUFQPRGLD-GDBMZVCRSA-N 1 0 305.418 3.039 20 10 DGCDRO Oc1ccccc1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000770509561 622640721 /nfs/dbraw/zinc/64/07/21/622640721.db2.gz OIKTYANHYKDQPR-UHFFFAOYSA-N 1 0 302.462 3.480 20 10 DGCDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC000770504531 622640762 /nfs/dbraw/zinc/64/07/62/622640762.db2.gz IJPPRGIEEZUEDH-UKRRQHHQSA-N 1 0 320.433 3.270 20 10 DGCDRO Cn1c2cc(F)ccc2nc1-c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771512279 622770074 /nfs/dbraw/zinc/77/00/74/622770074.db2.gz CKGWECVFEOHQAS-UHFFFAOYSA-N 1 0 324.403 3.131 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771935401 622819415 /nfs/dbraw/zinc/81/94/15/622819415.db2.gz REKPQJUSPJEWKX-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO C[N@H+](Cc1cnc(N)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000771934859 622820080 /nfs/dbraw/zinc/82/00/80/622820080.db2.gz CWIUPNFYVOFNPO-UHFFFAOYSA-N 1 0 316.474 3.348 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)CC2 ZINC000872129180 622823373 /nfs/dbraw/zinc/82/33/73/622823373.db2.gz VWBJZZHCAPSVRS-HOTGVXAUSA-N 1 0 317.816 3.226 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)CC2 ZINC000872129181 622824080 /nfs/dbraw/zinc/82/40/80/622824080.db2.gz VWBJZZHCAPSVRS-HZPDHXFCSA-N 1 0 317.816 3.226 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c(Cl)c1 ZINC000872253560 622867905 /nfs/dbraw/zinc/86/79/05/622867905.db2.gz CNSJZYIMHKURFU-CYBMUJFWSA-N 1 0 305.752 3.210 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872259889 622869750 /nfs/dbraw/zinc/86/97/50/622869750.db2.gz CQVZPWVRKXKNPR-OAHLLOKOSA-N 1 0 305.418 3.324 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OC3CCC3)CC1)OCO2 ZINC000872260932 622871967 /nfs/dbraw/zinc/87/19/67/622871967.db2.gz WRUSOUJIZAJNBX-OAHLLOKOSA-N 1 0 319.401 3.045 20 10 DGCDRO CCn1nc(C)c(C[N@H+](C)Cc2cc(C)cc(OC)c2O)c1C ZINC000872632488 622945795 /nfs/dbraw/zinc/94/57/95/622945795.db2.gz UHBZBJVKXWUGHT-UHFFFAOYSA-N 1 0 317.433 3.174 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCc2nc(C)no2)cc1 ZINC000772958426 622957433 /nfs/dbraw/zinc/95/74/33/622957433.db2.gz GOQPRPAYELNBIV-ZDUSSCGKSA-N 1 0 302.422 3.118 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773105574 622984665 /nfs/dbraw/zinc/98/46/65/622984665.db2.gz HWXYOTQFKKWLIE-GXTWGEPZSA-N 1 0 304.356 3.107 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000773402828 623022834 /nfs/dbraw/zinc/02/28/34/623022834.db2.gz UDIPOUPVONBSPW-VPZZIHKRSA-N 1 0 313.397 3.444 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2OCC)cc1C ZINC000873103544 623037191 /nfs/dbraw/zinc/03/71/91/623037191.db2.gz FVYYUIYYYKLAKU-SJLPKXTDSA-N 1 0 307.434 3.067 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@]2(CCOC)CCOC2)cc1C ZINC000873115358 623038410 /nfs/dbraw/zinc/03/84/10/623038410.db2.gz MFKXYGFRZFRISY-GOSISDBHSA-N 1 0 307.434 3.069 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CC2(F)F)cc1Cn1cccn1 ZINC000873138829 623047551 /nfs/dbraw/zinc/04/75/51/623047551.db2.gz XGQFGMJZDBAHMV-MRXNPFEDSA-N 1 0 321.371 3.075 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CC(=O)OC)cc1 ZINC000773747910 623066009 /nfs/dbraw/zinc/06/60/09/623066009.db2.gz KYRLEMMQRHBVLT-QGZVFWFLSA-N 1 0 304.434 3.060 20 10 DGCDRO CCN(C)c1ccc(CN2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000773754287 623069262 /nfs/dbraw/zinc/06/92/62/623069262.db2.gz LNRHVJZNFJPIJT-SFHVURJKSA-N 1 0 303.494 3.306 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](CC(=O)OC)C2CCCC2)cc1 ZINC000773766619 623070647 /nfs/dbraw/zinc/07/06/47/623070647.db2.gz UDTQMMVTHPEHQC-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO COc1ccc(C[NH2+]C2(C)CC(F)(F)C2)cc1Cn1cccn1 ZINC000873197994 623071933 /nfs/dbraw/zinc/07/19/33/623071933.db2.gz XRXOQLOEEYXZOW-UHFFFAOYSA-N 1 0 321.371 3.217 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)C2(C(=O)OC)CCCC2)cc1 ZINC000773781290 623072584 /nfs/dbraw/zinc/07/25/84/623072584.db2.gz CHLSRXQTNXZXLT-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO COc1ccc(N(C)Cc2cc3c(s2)CC[NH2+]C3)cc1F ZINC000873210164 623076393 /nfs/dbraw/zinc/07/63/93/623076393.db2.gz XBRDGXSZVOIKPA-UHFFFAOYSA-N 1 0 306.406 3.178 20 10 DGCDRO CCOC1CC(O)(C[NH2+][C@H](CC)c2cc(Cl)ccc2O)C1 ZINC000774486947 623152052 /nfs/dbraw/zinc/15/20/52/623152052.db2.gz JYYYEJHADINZPE-CXOJTPOUSA-N 1 0 313.825 3.016 20 10 DGCDRO CCCN(Cc1cccc2c1OCCO2)c1ccc(C[NH3+])cc1 ZINC000775140180 623234718 /nfs/dbraw/zinc/23/47/18/623234718.db2.gz KBMUXFWDTJHACF-UHFFFAOYSA-N 1 0 312.413 3.333 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCN2C2CC2)c1O ZINC000775156788 623235596 /nfs/dbraw/zinc/23/55/96/623235596.db2.gz HMJGIPUUEYAXJU-MRXNPFEDSA-N 1 0 308.853 3.461 20 10 DGCDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000775183256 623239108 /nfs/dbraw/zinc/23/91/08/623239108.db2.gz IZSPHUFGSPGRBT-SFHVURJKSA-N 1 0 321.417 3.099 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000775201511 623241149 /nfs/dbraw/zinc/24/11/49/623241149.db2.gz QSOISXQMFSLWOO-MRXNPFEDSA-N 1 0 305.805 3.486 20 10 DGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000775202278 623241322 /nfs/dbraw/zinc/24/13/22/623241322.db2.gz UJVLDVGTEKRYEQ-IBGZPJMESA-N 1 0 318.461 3.164 20 10 DGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000775376176 623262382 /nfs/dbraw/zinc/26/23/82/623262382.db2.gz XGCXFSUTRZVICP-GOSISDBHSA-N 1 0 324.440 3.349 20 10 DGCDRO CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000775415289 623272739 /nfs/dbraw/zinc/27/27/39/623272739.db2.gz NTFJRZKUAYFJJU-KRWDZBQOSA-N 1 0 308.385 3.214 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)COCC(C)C)c1cc(Cl)ccc1O ZINC000775487807 623279138 /nfs/dbraw/zinc/27/91/38/623279138.db2.gz DXJDXVGEWQRERF-DZGCQCFKSA-N 1 0 315.841 3.120 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1cc(Cl)ccc1O ZINC000775484803 623279189 /nfs/dbraw/zinc/27/91/89/623279189.db2.gz JFBHAGIUZYQMAZ-OAHLLOKOSA-N 1 0 310.825 3.097 20 10 DGCDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1ccccc1O ZINC000775489486 623279745 /nfs/dbraw/zinc/27/97/45/623279745.db2.gz QKGCIRSUXAWNBC-INIZCTEOSA-N 1 0 316.376 3.002 20 10 DGCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1ccccc1O ZINC000775489487 623280176 /nfs/dbraw/zinc/28/01/76/623280176.db2.gz QKGCIRSUXAWNBC-MRXNPFEDSA-N 1 0 316.376 3.002 20 10 DGCDRO CC[C@@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cc(Cl)ccc1O ZINC000775497796 623280550 /nfs/dbraw/zinc/28/05/50/623280550.db2.gz UPPRQGCLXOEATE-ABIUDSBCSA-N 1 0 324.852 3.391 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CCO)CSC)c1cc(Cl)ccc1O ZINC000775509692 623282157 /nfs/dbraw/zinc/28/21/57/623282157.db2.gz PCVUEAFJFDQAQZ-DGCLKSJQSA-N 1 0 303.855 3.200 20 10 DGCDRO CC[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000775507391 623282438 /nfs/dbraw/zinc/28/24/38/623282438.db2.gz MCIYJUZOTLDZIB-DZGCQCFKSA-N 1 0 313.825 3.282 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1O ZINC000775513880 623282899 /nfs/dbraw/zinc/28/28/99/623282899.db2.gz OCXSXQNCIQRSTM-CYBMUJFWSA-N 1 0 313.323 3.392 20 10 DGCDRO CC[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775514160 623283249 /nfs/dbraw/zinc/28/32/49/623283249.db2.gz XJSQTZSFRXVIDX-HIFRSBDPSA-N 1 0 313.825 3.282 20 10 DGCDRO CC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc(Cl)ccc1O ZINC000775522757 623283593 /nfs/dbraw/zinc/28/35/93/623283593.db2.gz ZPKNZYJVECBROV-JXBWDGJFSA-N 1 0 303.855 3.243 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)c1ccccc1OC)c1ccccc1O ZINC000775523098 623283899 /nfs/dbraw/zinc/28/38/99/623283899.db2.gz GFSWFPHYXZYEDK-JKSUJKDBSA-N 1 0 301.386 3.175 20 10 DGCDRO CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000775525314 623284674 /nfs/dbraw/zinc/28/46/74/623284674.db2.gz KKCYHLWVYUJOTR-JQWIXIFHSA-N 1 0 311.731 3.400 20 10 DGCDRO Cc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000775664376 623308307 /nfs/dbraw/zinc/30/83/07/623308307.db2.gz MVVRFGVEGXLTAX-CQSZACIVSA-N 1 0 320.433 3.142 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)c1O ZINC000775695663 623314665 /nfs/dbraw/zinc/31/46/65/623314665.db2.gz ALXZRKHAIKROKW-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1O ZINC000775701645 623316169 /nfs/dbraw/zinc/31/61/69/623316169.db2.gz UYTWVLISWUPBHI-KRWDZBQOSA-N 1 0 317.816 3.446 20 10 DGCDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726411 623319233 /nfs/dbraw/zinc/31/92/33/623319233.db2.gz RKOZDABLQOWLNX-IBGZPJMESA-N 1 0 301.478 3.060 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]2Cc2ccccc2)cc1OC ZINC000775724803 623319810 /nfs/dbraw/zinc/31/98/10/623319810.db2.gz LDNHOPQWPFQFKC-INIZCTEOSA-N 1 0 313.397 3.226 20 10 DGCDRO C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000775725985 623319829 /nfs/dbraw/zinc/31/98/29/623319829.db2.gz NOGIVDPSFGBICA-CQSZACIVSA-N 1 0 308.853 3.209 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000775960027 623357474 /nfs/dbraw/zinc/35/74/74/623357474.db2.gz SAHBIUKXYBMAHE-UHFFFAOYSA-N 1 0 323.440 3.086 20 10 DGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775997421 623362327 /nfs/dbraw/zinc/36/23/27/623362327.db2.gz ASMWQYAPVBYOEU-PBHICJAKSA-N 1 0 306.425 3.283 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000775996047 623362831 /nfs/dbraw/zinc/36/28/31/623362831.db2.gz JHARSRIOIVWVDV-UHFFFAOYSA-N 1 0 315.388 3.101 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccc1N(C)C ZINC000776165478 623386911 /nfs/dbraw/zinc/38/69/11/623386911.db2.gz RCMWUXTUHJCPNL-JQHSSLGASA-N 1 0 302.462 3.354 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000776175082 623390752 /nfs/dbraw/zinc/39/07/52/623390752.db2.gz UNEPKNATMPUOGF-UHFFFAOYSA-N 1 0 312.413 3.137 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCCCC(=O)OC(C)(C)C)c1 ZINC000776255756 623402407 /nfs/dbraw/zinc/40/24/07/623402407.db2.gz IAQLMJBZPXOJGV-UHFFFAOYSA-N 1 0 309.406 3.002 20 10 DGCDRO CCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000875190371 623425750 /nfs/dbraw/zinc/42/57/50/623425750.db2.gz BIQXWMLDFKYZEY-CQSZACIVSA-N 1 0 319.449 3.017 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2([C@H](O)C(C)C)CC2)cc1 ZINC000776494205 623435146 /nfs/dbraw/zinc/43/51/46/623435146.db2.gz BMQWIXMHNBRNLG-GOSISDBHSA-N 1 0 304.478 3.420 20 10 DGCDRO C[C@H](CCNC(=O)N[C@@H](C)c1ccccc1O)[NH+]1CCCCC1 ZINC000875486067 623455798 /nfs/dbraw/zinc/45/57/98/623455798.db2.gz VLSLGLLWUKMDTD-CABCVRRESA-N 1 0 319.449 3.017 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(C)c2O)C1 ZINC000777221385 623506739 /nfs/dbraw/zinc/50/67/39/623506739.db2.gz GTCYRHHVFNBXOG-ZBFHGGJFSA-N 1 0 320.433 3.047 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)c1 ZINC000777484118 623530621 /nfs/dbraw/zinc/53/06/21/623530621.db2.gz JPSKMQIHEJJXAQ-SCLBCKFNSA-N 1 0 307.434 3.068 20 10 DGCDRO COCC[N@H+](Cc1cc(OC)c(C)cc1O)[C@@H]1CC[C@@H](C)C1 ZINC000790477708 625657495 /nfs/dbraw/zinc/65/74/95/625657495.db2.gz HOOLZWRWPUVPHM-CZUORRHYSA-N 1 0 307.434 3.346 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c(O)c1 ZINC000790484683 625660353 /nfs/dbraw/zinc/66/03/53/625660353.db2.gz HLEVOGISTQAUCV-QGZVFWFLSA-N 1 0 306.450 3.001 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H](C(C)C)C3)c2c1 ZINC000777969550 623593396 /nfs/dbraw/zinc/59/33/96/623593396.db2.gz RWVGKFBZORIUBF-LJQANCHMSA-N 1 0 315.413 3.411 20 10 DGCDRO CC[C@H](C)[C@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000876551288 623641283 /nfs/dbraw/zinc/64/12/83/623641283.db2.gz OLWFFJGUMGYYLU-LPHOPBHVSA-N 1 0 320.477 3.016 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C(C1CC1)C1CC1 ZINC000876652068 623670476 /nfs/dbraw/zinc/67/04/76/623670476.db2.gz KUXLRSLEOVUKOR-UHFFFAOYSA-N 1 0 314.473 3.268 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](OC)C1CCOCC1 ZINC000876654405 623671479 /nfs/dbraw/zinc/67/14/79/623671479.db2.gz FEMDNFWCAPDIIW-SFHVURJKSA-N 1 0 307.434 3.046 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C3CC3)cc2)CC1 ZINC000876690456 623682903 /nfs/dbraw/zinc/68/29/03/623682903.db2.gz VTLLIFLSWRWSCS-IBGZPJMESA-N 1 0 300.446 3.022 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000876719869 623688464 /nfs/dbraw/zinc/68/84/64/623688464.db2.gz XOFSQNWOFZYAGA-HNNXBMFYSA-N 1 0 318.461 3.075 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000876790472 623706895 /nfs/dbraw/zinc/70/68/95/623706895.db2.gz JAUNECZNXVMIKX-KRWDZBQOSA-N 1 0 319.445 3.251 20 10 DGCDRO CCN1C[C@H](C[N@H+](C)Cc2ccccc2O)Oc2ccccc21 ZINC000778995544 623717951 /nfs/dbraw/zinc/71/79/51/623717951.db2.gz ZFUYRGKVLIHEAG-INIZCTEOSA-N 1 0 312.413 3.112 20 10 DGCDRO Cc1ccccc1C[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000778994926 623718177 /nfs/dbraw/zinc/71/81/77/623718177.db2.gz LJCJONMQQNCPRX-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO COC[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779001422 623719207 /nfs/dbraw/zinc/71/92/07/623719207.db2.gz RQKQAEAJMKKXLA-NXEZZACHSA-N 1 0 302.212 3.149 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000778999809 623719678 /nfs/dbraw/zinc/71/96/78/623719678.db2.gz KQGMQSMBDMOQRV-LBPRGKRZSA-N 1 0 307.287 3.075 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000779010375 623720567 /nfs/dbraw/zinc/72/05/67/623720567.db2.gz UMENILRBOMCGAG-SFHVURJKSA-N 1 0 301.361 3.495 20 10 DGCDRO Cc1ccc(CNc2ccccc2N2CC[NH+](C)CC2)c(O)c1 ZINC000876835597 623723190 /nfs/dbraw/zinc/72/31/90/623723190.db2.gz YLHWOCCKFYPYBB-UHFFFAOYSA-N 1 0 311.429 3.065 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[C@@H](C)O)c1O ZINC000779050364 623724580 /nfs/dbraw/zinc/72/45/80/623724580.db2.gz OUNVRXJUIJPOGJ-MXWKQRLJSA-N 1 0 316.239 3.273 20 10 DGCDRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c(O)c1 ZINC000876902477 623739664 /nfs/dbraw/zinc/73/96/64/623739664.db2.gz DHUYSIMERVOHLT-UHFFFAOYSA-N 1 0 324.424 3.095 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000876901835 623740230 /nfs/dbraw/zinc/74/02/30/623740230.db2.gz HYUXHOJTFVJPOU-UHFFFAOYSA-N 1 0 310.397 3.117 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)c(O)c1 ZINC000876930234 623747219 /nfs/dbraw/zinc/74/72/19/623747219.db2.gz MNXCMLWQADLSGZ-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000876933209 623747842 /nfs/dbraw/zinc/74/78/42/623747842.db2.gz IZUKYWZEEIBNKP-CYBMUJFWSA-N 1 0 312.404 3.272 20 10 DGCDRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccc(C)cc3O)cn2)n1 ZINC000876942626 623750682 /nfs/dbraw/zinc/75/06/82/623750682.db2.gz ZKNNMRSICGNXMR-UHFFFAOYSA-N 1 0 322.412 3.188 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC1(F)F ZINC000876966012 623756370 /nfs/dbraw/zinc/75/63/70/623756370.db2.gz OMERVVOTAVMGDR-CXAGYDPISA-N 1 0 324.415 3.029 20 10 DGCDRO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000877023318 623767936 /nfs/dbraw/zinc/76/79/36/623767936.db2.gz NBAQNYQSQVAFTC-ZDUSSCGKSA-N 1 0 308.422 3.094 20 10 DGCDRO CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877020607 623768408 /nfs/dbraw/zinc/76/84/08/623768408.db2.gz ZQDOFKBKKHEYPK-UHFFFAOYSA-N 1 0 320.383 3.412 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1F ZINC000779432113 623769513 /nfs/dbraw/zinc/76/95/13/623769513.db2.gz KOWPMHVDHRIWMS-YOEHRIQHSA-N 1 0 308.441 3.121 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1ccc(OC(C)C)cc1 ZINC000877040050 623773527 /nfs/dbraw/zinc/77/35/27/623773527.db2.gz NIBDJNPZMOGTCS-IBGZPJMESA-N 1 0 315.413 3.311 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000877045965 623775469 /nfs/dbraw/zinc/77/54/69/623775469.db2.gz HIWHCROVDHOAQI-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO Cc1ccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c(O)c1 ZINC000877046616 623775739 /nfs/dbraw/zinc/77/57/39/623775739.db2.gz NABKFGBENTUOEF-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(N)cc1 ZINC000877077401 623785850 /nfs/dbraw/zinc/78/58/50/623785850.db2.gz GQXZRZHOMYKJAO-LJQANCHMSA-N 1 0 323.440 3.286 20 10 DGCDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877077200 623786042 /nfs/dbraw/zinc/78/60/42/623786042.db2.gz ZDILMFTUEVTDII-QWHZDKJVSA-N 1 0 302.462 3.172 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c(O)c1 ZINC000877093718 623790917 /nfs/dbraw/zinc/79/09/17/623790917.db2.gz CMVUHBFFIXMROG-AWEZNQCLSA-N 1 0 317.820 3.118 20 10 DGCDRO CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2O)c2ccccc21 ZINC000877120655 623795808 /nfs/dbraw/zinc/79/58/08/623795808.db2.gz LMNYGVYISFYTJF-KRWDZBQOSA-N 1 0 310.397 3.288 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000877131357 623799484 /nfs/dbraw/zinc/79/94/84/623799484.db2.gz YKAJIXZEQDZFMH-FZKQIMNGSA-N 1 0 303.377 3.442 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CCCc1nc2ccccc2n1C ZINC000877155504 623809558 /nfs/dbraw/zinc/80/95/58/623809558.db2.gz UIJAYAGROILDDT-UHFFFAOYSA-N 1 0 309.413 3.310 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)cc1F ZINC000790619870 625679223 /nfs/dbraw/zinc/67/92/23/625679223.db2.gz UKZYMPNCIIQGNI-UHFFFAOYSA-N 1 0 312.392 3.100 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)ccc1OC ZINC000779989115 623845786 /nfs/dbraw/zinc/84/57/86/623845786.db2.gz UQCQPEDCONFWBE-HOCLYGCPSA-N 1 0 307.434 3.136 20 10 DGCDRO Cc1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(O)c1 ZINC000877377601 623861929 /nfs/dbraw/zinc/86/19/29/623861929.db2.gz RISAZNDKQWHDBY-OAHLLOKOSA-N 1 0 305.418 3.254 20 10 DGCDRO COc1cnc(F)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000877416763 623874971 /nfs/dbraw/zinc/87/49/71/623874971.db2.gz PJPNORUZGYKFKD-LBPRGKRZSA-N 1 0 303.381 3.146 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c(O)c1 ZINC000877463514 623894212 /nfs/dbraw/zinc/89/42/12/623894212.db2.gz DXPXVVLSNZMBQV-QGZVFWFLSA-N 1 0 316.445 3.114 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000877476482 623901362 /nfs/dbraw/zinc/90/13/62/623901362.db2.gz FZIXITUIGSEABM-HKUYNNGSSA-N 1 0 315.388 3.096 20 10 DGCDRO CCCN(Cc1cccn(C(F)F)c1=O)c1ccc(C[NH3+])cc1 ZINC000877479184 623901851 /nfs/dbraw/zinc/90/18/51/623901851.db2.gz UBTNVPKGBJURPH-UHFFFAOYSA-N 1 0 321.371 3.119 20 10 DGCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877491524 623908961 /nfs/dbraw/zinc/90/89/61/623908961.db2.gz LKOKYELJIHHUCE-NVXWUHKLSA-N 1 0 302.462 3.174 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)c(O)c1 ZINC000877493834 623909876 /nfs/dbraw/zinc/90/98/76/623909876.db2.gz PDDBSXZVMRTFKC-UGSOOPFHSA-N 1 0 301.386 3.267 20 10 DGCDRO Cc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c(O)c1 ZINC000877493246 623910232 /nfs/dbraw/zinc/91/02/32/623910232.db2.gz BGHSUXBPGLNEEN-KRWDZBQOSA-N 1 0 324.424 3.186 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000877562214 623942312 /nfs/dbraw/zinc/94/23/12/623942312.db2.gz XFTMYGILLVNLQX-QWHCGFSZSA-N 1 0 308.422 3.092 20 10 DGCDRO CC[C@H](C[NH2+]Cc1c(C)cccc1O)NC(=O)OC(C)(C)C ZINC000877561891 623942597 /nfs/dbraw/zinc/94/25/97/623942597.db2.gz MTZFRJHDPZVXSL-CYBMUJFWSA-N 1 0 308.422 3.094 20 10 DGCDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877590731 623954559 /nfs/dbraw/zinc/95/45/59/623954559.db2.gz FTAZHJKZCZYZIN-HNNXBMFYSA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CCC1CCOCC1 ZINC000877592232 623954891 /nfs/dbraw/zinc/95/48/91/623954891.db2.gz MKVACXSXJXOZRC-MRXNPFEDSA-N 1 0 304.478 3.398 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000877600122 623957631 /nfs/dbraw/zinc/95/76/31/623957631.db2.gz KDQYEEYYXIGHLW-SFHVURJKSA-N 1 0 301.430 3.482 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)[C@H]3CC3(F)F)C2)cc1 ZINC000877598388 623958343 /nfs/dbraw/zinc/95/83/43/623958343.db2.gz MUHLNYHNCAWGCD-WOSRLPQWSA-N 1 0 310.388 3.155 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3nc4ccccc4o3)C2)cc1 ZINC000877620339 623966086 /nfs/dbraw/zinc/96/60/86/623966086.db2.gz GZXXFAOPFSYVDX-AWEZNQCLSA-N 1 0 323.396 3.205 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(C)cccc3O)C2)cc1 ZINC000877620732 623966170 /nfs/dbraw/zinc/96/61/70/623966170.db2.gz MMTVNPMXMCUONC-OAHLLOKOSA-N 1 0 312.413 3.078 20 10 DGCDRO CC1(C)[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(F)F ZINC000877635916 623971649 /nfs/dbraw/zinc/97/16/49/623971649.db2.gz HOVHRDJDQJSMNM-INIZCTEOSA-N 1 0 324.415 3.029 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCC34CC4)cc2)CC1 ZINC000877660643 623981975 /nfs/dbraw/zinc/98/19/75/623981975.db2.gz PDKMQAAPLRRPRJ-QGZVFWFLSA-N 1 0 314.473 3.318 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC34CC4)cc2)CC1 ZINC000877660642 623982127 /nfs/dbraw/zinc/98/21/27/623982127.db2.gz PDKMQAAPLRRPRJ-KRWDZBQOSA-N 1 0 314.473 3.318 20 10 DGCDRO Oc1ccc(F)cc1C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672644 623987327 /nfs/dbraw/zinc/98/73/27/623987327.db2.gz JOWUOEWHJZDJLD-DLBZAZTESA-N 1 0 301.361 3.229 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+]2CCCSCC2)c1O ZINC000780893855 623995149 /nfs/dbraw/zinc/99/51/49/623995149.db2.gz UGPNVPHUIVILJE-UHFFFAOYSA-N 1 0 316.264 3.402 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000877727648 624006059 /nfs/dbraw/zinc/00/60/59/624006059.db2.gz FBCKOPLGMIUBFQ-QGZVFWFLSA-N 1 0 302.462 3.357 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c1O ZINC000877739723 624011997 /nfs/dbraw/zinc/01/19/97/624011997.db2.gz SXVIATAQTJEOOY-JQWIXIFHSA-N 1 0 313.850 3.239 20 10 DGCDRO COc1ccccc1[C@H]1C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000877756331 624022838 /nfs/dbraw/zinc/02/28/38/624022838.db2.gz UAXRKNOZTPAUBF-LJQANCHMSA-N 1 0 313.397 3.283 20 10 DGCDRO C[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ccccc1O ZINC000877757384 624022971 /nfs/dbraw/zinc/02/29/71/624022971.db2.gz WIULXFSVRMOWLA-AWEZNQCLSA-N 1 0 318.461 3.470 20 10 DGCDRO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccccc2O)cc1F ZINC000877758147 624023809 /nfs/dbraw/zinc/02/38/09/624023809.db2.gz KRZJHZLDBCEICV-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OC(F)F)C1)CCCC2 ZINC000781150876 624030760 /nfs/dbraw/zinc/03/07/60/624030760.db2.gz GOGLLQZQYWRIHK-HNNXBMFYSA-N 1 0 311.372 3.475 20 10 DGCDRO CC(C)CC(=O)N1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000877775347 624032903 /nfs/dbraw/zinc/03/29/03/624032903.db2.gz XHFWVUYURMALDF-UHFFFAOYSA-N 1 0 324.852 3.126 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c1O ZINC000877814240 624047664 /nfs/dbraw/zinc/04/76/64/624047664.db2.gz WJRDCPDUYXUKDW-ZDUSSCGKSA-N 1 0 304.415 3.155 20 10 DGCDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1c(C)cccc1O)CC2 ZINC000877817360 624049316 /nfs/dbraw/zinc/04/93/16/624049316.db2.gz MRBWJYDOTSTFQU-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877824304 624055944 /nfs/dbraw/zinc/05/59/44/624055944.db2.gz QZQWWUQRXACZOY-DOMZBBRYSA-N 1 0 316.367 3.294 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1O ZINC000782291928 624234573 /nfs/dbraw/zinc/23/45/73/624234573.db2.gz SEZSFQUVVYOLSQ-MRXNPFEDSA-N 1 0 312.413 3.169 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)c1O ZINC000782534418 624261111 /nfs/dbraw/zinc/26/11/11/624261111.db2.gz CPQAOZFCZTUHGA-SFHVURJKSA-N 1 0 307.434 3.212 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)c(O)c1 ZINC000782535220 624261192 /nfs/dbraw/zinc/26/11/92/624261192.db2.gz LTHUANNFUGRCIK-SFHVURJKSA-N 1 0 307.434 3.212 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccncc2OC)c(O)c1 ZINC000782543990 624262753 /nfs/dbraw/zinc/26/27/53/624262753.db2.gz BZLKYHJDMSHDAC-LBPRGKRZSA-N 1 0 302.374 3.045 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000878455211 624282279 /nfs/dbraw/zinc/28/22/79/624282279.db2.gz SQFHONNSDZBDHR-QAPCUYQASA-N 1 0 318.461 3.131 20 10 DGCDRO COCC[N@H+](Cc1cc(C)cc(C(C)(C)C)c1O)[C@@H]1CCOC1 ZINC000782959409 624294857 /nfs/dbraw/zinc/29/48/57/624294857.db2.gz BWQXPXYMLLSGGA-MRXNPFEDSA-N 1 0 321.461 3.235 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000783718025 624386484 /nfs/dbraw/zinc/38/64/84/624386484.db2.gz NPOBIYNUAZPZCV-HNNXBMFYSA-N 1 0 316.367 3.296 20 10 DGCDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000783716495 624386620 /nfs/dbraw/zinc/38/66/20/624386620.db2.gz AGIBATARRVGCBY-CQSZACIVSA-N 1 0 303.324 3.244 20 10 DGCDRO Cc1cccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)c1 ZINC000784025763 624424694 /nfs/dbraw/zinc/42/46/94/624424694.db2.gz OQBLPBOYBUKHAP-OAHLLOKOSA-N 1 0 311.381 3.419 20 10 DGCDRO COc1cccc(C[NH2+]CCc2ccc(F)c(F)c2F)c1O ZINC000784629640 624561559 /nfs/dbraw/zinc/56/15/59/624561559.db2.gz MRLWQVFHRYBOFP-UHFFFAOYSA-N 1 0 311.303 3.150 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000784625969 624561679 /nfs/dbraw/zinc/56/16/79/624561679.db2.gz SEYPLFVGBKIADZ-MRXNPFEDSA-N 1 0 302.418 3.083 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1O ZINC000879648122 624620971 /nfs/dbraw/zinc/62/09/71/624620971.db2.gz ZAFJIQYJEYZTQL-VYDXJSESSA-N 1 0 316.445 3.224 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1O ZINC000879648726 624621027 /nfs/dbraw/zinc/62/10/27/624621027.db2.gz AVFSRFOQBLUHCT-OAHLLOKOSA-N 1 0 324.424 3.234 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1O ZINC000879648121 624621166 /nfs/dbraw/zinc/62/11/66/624621166.db2.gz ZAFJIQYJEYZTQL-INMHGKMJSA-N 1 0 316.445 3.224 20 10 DGCDRO CCN(C(=O)C[NH2+][C@H](C)c1ccccc1O)C1CCCCC1 ZINC000879647428 624621180 /nfs/dbraw/zinc/62/11/80/624621180.db2.gz BXLXLBZSUMNEQJ-CQSZACIVSA-N 1 0 304.434 3.224 20 10 DGCDRO C[C@@H](NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000879649064 624622697 /nfs/dbraw/zinc/62/26/97/624622697.db2.gz KXHQKTLMPGCZHC-RBSFLKMASA-N 1 0 312.413 3.309 20 10 DGCDRO COC(=O)c1oc([C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1C ZINC000879649151 624622904 /nfs/dbraw/zinc/62/29/04/624622904.db2.gz JRJRIKJVAKZZKV-NEPJUHHUSA-N 1 0 303.358 3.492 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c1O ZINC000879732470 624656114 /nfs/dbraw/zinc/65/61/14/624656114.db2.gz KAAPEMSVSOQEJW-INIZCTEOSA-N 1 0 321.392 3.315 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC1(C)C ZINC000785427476 624665022 /nfs/dbraw/zinc/66/50/22/624665022.db2.gz XQYSBWSEIUQWPD-DZGCQCFKSA-N 1 0 306.425 3.187 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)c1 ZINC000786861287 624959421 /nfs/dbraw/zinc/95/94/21/624959421.db2.gz UIMNOVUOKUGHEF-FZKQIMNGSA-N 1 0 301.386 3.267 20 10 DGCDRO CO[C@@H](CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000786953860 624967168 /nfs/dbraw/zinc/96/71/68/624967168.db2.gz NPYOILYRWTZALZ-FZMZJTMJSA-N 1 0 304.356 3.371 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000128515441 624983252 /nfs/dbraw/zinc/98/32/52/624983252.db2.gz FGIAPEZPZMQTDN-UHFFFAOYSA-N 1 0 320.433 3.143 20 10 DGCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)[C@@H]1C ZINC000787245158 624991545 /nfs/dbraw/zinc/99/15/45/624991545.db2.gz ZWOMSXYIKWKIQS-HIFRSBDPSA-N 1 0 305.418 3.207 20 10 DGCDRO COc1ccc(N(C)C[C@@H]2CCCC[N@@H+]2C(C)C)c(OC)c1 ZINC000787732694 625042951 /nfs/dbraw/zinc/04/29/51/625042951.db2.gz ZASLTUATZXJFBT-HNNXBMFYSA-N 1 0 306.450 3.403 20 10 DGCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000787769791 625048658 /nfs/dbraw/zinc/04/86/58/625048658.db2.gz IRMORZDEYCLYJR-LJQANCHMSA-N 1 0 311.425 3.471 20 10 DGCDRO CC(=O)N(C)C1CC[NH+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000128757802 625200231 /nfs/dbraw/zinc/20/02/31/625200231.db2.gz VVPLPKPWSKHVDD-UHFFFAOYSA-N 1 0 318.461 3.267 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)c1ccccc1 ZINC000788541969 625212220 /nfs/dbraw/zinc/21/22/20/625212220.db2.gz ZZBXFQWLJRCFJU-UXHICEINSA-N 1 0 311.425 3.469 20 10 DGCDRO CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790963051 625724355 /nfs/dbraw/zinc/72/43/55/625724355.db2.gz XNGNJOVINQNZEL-NSHDSACASA-N 1 0 300.805 3.005 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000790998780 625734674 /nfs/dbraw/zinc/73/46/74/625734674.db2.gz KHSJCIPNVXDXGP-UHFFFAOYSA-N 1 0 316.357 3.297 20 10 DGCDRO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882877763 625840643 /nfs/dbraw/zinc/84/06/43/625840643.db2.gz DATZDHGCSFCAST-GFCCVEGCSA-N 1 0 300.393 3.271 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)cs3)cc2)CC1 ZINC000882879879 625842227 /nfs/dbraw/zinc/84/22/27/625842227.db2.gz RGMYVVSZACBEGB-UHFFFAOYSA-N 1 0 322.865 3.160 20 10 DGCDRO C[NH+](C)CCOc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000883053726 625911943 /nfs/dbraw/zinc/91/19/43/625911943.db2.gz IPINGQYBSKMFLC-UHFFFAOYSA-N 1 0 322.355 3.223 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000883078598 625918214 /nfs/dbraw/zinc/91/82/14/625918214.db2.gz WVCPLSHBJCPJEI-BZPMIXESSA-N 1 0 317.426 3.140 20 10 DGCDRO CCOc1cccc(C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)c1O ZINC000792192316 625922874 /nfs/dbraw/zinc/92/28/74/625922874.db2.gz HQBYSARVRFZAAN-ZBFHGGJFSA-N 1 0 307.434 3.428 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](CCO)c1ccccc1F ZINC000883152630 625945826 /nfs/dbraw/zinc/94/58/26/625945826.db2.gz BMISGFLYNUAKEF-HNNXBMFYSA-N 1 0 311.303 3.023 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](COC)[C@H]2CCCOC2)cc1 ZINC000883174445 625954049 /nfs/dbraw/zinc/95/40/49/625954049.db2.gz KUDMHDSYBIXDCS-PKOBYXMFSA-N 1 0 320.477 3.064 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](COC)[C@@H]2CCCOC2)cc1 ZINC000883174443 625954092 /nfs/dbraw/zinc/95/40/92/625954092.db2.gz KUDMHDSYBIXDCS-IEBWSBKVSA-N 1 0 320.477 3.064 20 10 DGCDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796308330 626037634 /nfs/dbraw/zinc/03/76/34/626037634.db2.gz GFGSBBXIZWIDPW-NRFANRHFSA-N 1 0 324.468 3.356 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H](O)c2ccc(CC)cc2)c(O)c1 ZINC000796452472 626051309 /nfs/dbraw/zinc/05/13/09/626051309.db2.gz VEAHGMKZSMRQKB-IBGZPJMESA-N 1 0 315.413 3.177 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)c1 ZINC000796492875 626056301 /nfs/dbraw/zinc/05/63/01/626056301.db2.gz YUJSNUQILYSAJE-LIRRHRJNSA-N 1 0 315.413 3.311 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H]2C)c1O ZINC000796525190 626058940 /nfs/dbraw/zinc/05/89/40/626058940.db2.gz BRZJMUSOTDHQEM-KWQFWETISA-N 1 0 300.196 3.051 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000796678103 626072750 /nfs/dbraw/zinc/07/27/50/626072750.db2.gz YFOSYUVRGWQTLZ-LBPRGKRZSA-N 1 0 311.385 3.450 20 10 DGCDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000796696545 626073851 /nfs/dbraw/zinc/07/38/51/626073851.db2.gz TYMIGOURVOSYIN-WBVHZDCISA-N 1 0 306.425 3.187 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc2[nH]c(=O)oc2c1 ZINC000796739060 626077923 /nfs/dbraw/zinc/07/79/23/626077923.db2.gz PCWXKRXDMHJVKI-LLVKDONJSA-N 1 0 310.353 3.319 20 10 DGCDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000797063264 626109680 /nfs/dbraw/zinc/10/96/80/626109680.db2.gz AWIFBLGOGRXKME-XEZPLFJOSA-N 1 0 324.465 3.064 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1 ZINC000797134491 626117233 /nfs/dbraw/zinc/11/72/33/626117233.db2.gz SQCXCIOQAGSUQW-RCDICMHDSA-N 1 0 317.454 3.430 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc2c1OCC2 ZINC000798494812 626220782 /nfs/dbraw/zinc/22/07/82/626220782.db2.gz SXVKHDBKGBFYKI-BPQIPLTHSA-N 1 0 301.430 3.306 20 10 DGCDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccccc1O)C(C)(C)C ZINC000798508467 626222562 /nfs/dbraw/zinc/22/25/62/626222562.db2.gz ZWWSXEMLBCDJKM-HNNXBMFYSA-N 1 0 322.449 3.421 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)c1 ZINC000798938080 626261454 /nfs/dbraw/zinc/26/14/54/626261454.db2.gz RKEGAPBQRUQVFW-HIFRSBDPSA-N 1 0 307.434 3.240 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)ccc21 ZINC000799336763 626291782 /nfs/dbraw/zinc/29/17/82/626291782.db2.gz OHPSOEQJYPOMEE-UHFFFAOYSA-N 1 0 324.350 3.101 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cnc(C(C)C)nc2)c(O)cc1C ZINC000799579879 626311222 /nfs/dbraw/zinc/31/12/22/626311222.db2.gz KMVXURHICGSKPL-UHFFFAOYSA-N 1 0 315.417 3.255 20 10 DGCDRO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(F)ccc1O ZINC000799728565 626325034 /nfs/dbraw/zinc/32/50/34/626325034.db2.gz CKWOEPPKJUAMGC-BBRMVZONSA-N 1 0 303.377 3.176 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c(O)c1 ZINC000799735580 626326306 /nfs/dbraw/zinc/32/63/06/626326306.db2.gz ZLMFOXBEWUJSSG-ZDUSSCGKSA-N 1 0 308.381 3.139 20 10 DGCDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000800223023 626342708 /nfs/dbraw/zinc/34/27/08/626342708.db2.gz OAJGIEDYOYGBJD-OAHLLOKOSA-N 1 0 308.491 3.143 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)c1 ZINC000800312823 626350895 /nfs/dbraw/zinc/35/08/95/626350895.db2.gz SOKVSKRYQWELSU-PKNBQFBNSA-N 1 0 324.424 3.010 20 10 DGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000800475786 626363618 /nfs/dbraw/zinc/36/36/18/626363618.db2.gz YJWIVVXPSQNMAB-WMZOPIPTSA-N 1 0 302.462 3.364 20 10 DGCDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808699076 626372095 /nfs/dbraw/zinc/37/20/95/626372095.db2.gz RUPPEZVXRMFNNO-JQWIXIFHSA-N 1 0 303.855 3.119 20 10 DGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000800889985 626382927 /nfs/dbraw/zinc/38/29/27/626382927.db2.gz YIZKYVVLISYKFH-UHFFFAOYSA-N 1 0 316.367 3.201 20 10 DGCDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cccc(OC)c1O ZINC000800898295 626383758 /nfs/dbraw/zinc/38/37/58/626383758.db2.gz CYRCPJRTQXJWKT-OAHLLOKOSA-N 1 0 317.360 3.326 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cn1 ZINC000801596594 626411241 /nfs/dbraw/zinc/41/12/41/626411241.db2.gz GYMAUQFSIIVYLI-GOSISDBHSA-N 1 0 318.392 3.262 20 10 DGCDRO CCCC[N@H+](CC(=O)N1CCCC[C@H]1C)Cc1ccccc1O ZINC000801596600 626411382 /nfs/dbraw/zinc/41/13/82/626411382.db2.gz HBBKODSTUHLODI-MRXNPFEDSA-N 1 0 318.461 3.395 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cn1 ZINC000801596595 626411472 /nfs/dbraw/zinc/41/14/72/626411472.db2.gz GYMAUQFSIIVYLI-SFHVURJKSA-N 1 0 318.392 3.262 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCC(C)C ZINC000801599220 626411794 /nfs/dbraw/zinc/41/17/94/626411794.db2.gz FZTSOSVEWZWJQV-HNNXBMFYSA-N 1 0 306.450 3.155 20 10 DGCDRO COC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000802654889 626565525 /nfs/dbraw/zinc/56/55/25/626565525.db2.gz NEGFQIBVHZEZBL-AWEZNQCLSA-N 1 0 301.386 3.096 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CSC2(C)C)c1O ZINC000802660951 626565666 /nfs/dbraw/zinc/56/56/66/626565666.db2.gz AJSWTJFXURCXER-NSHDSACASA-N 1 0 316.264 3.447 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883246856 626622785 /nfs/dbraw/zinc/62/27/85/626622785.db2.gz UBVAQEIQVJUHOM-LSDHHAIUSA-N 1 0 304.409 3.279 20 10 DGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)CC(F)F ZINC000883252433 626624272 /nfs/dbraw/zinc/62/42/72/626624272.db2.gz IEIXOWZUBKNIOB-UHFFFAOYSA-N 1 0 312.404 3.294 20 10 DGCDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000883319624 626645839 /nfs/dbraw/zinc/64/58/39/626645839.db2.gz JQFLINHLZMIYHO-FOGDFJRCSA-N 1 0 314.223 3.230 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000132090831 626698426 /nfs/dbraw/zinc/69/84/26/626698426.db2.gz GELOWOKUIHKCPX-WOJBJXKFSA-N 1 0 312.457 3.397 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1O ZINC000132401122 626718269 /nfs/dbraw/zinc/71/82/69/626718269.db2.gz SCSVLUXSSCSUGF-AWEZNQCLSA-N 1 0 309.381 3.170 20 10 DGCDRO CC(C)CC1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000808231935 626807683 /nfs/dbraw/zinc/80/76/83/626807683.db2.gz ROWQWARTEILUCS-QGZVFWFLSA-N 1 0 319.445 3.466 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2COc3ccc(F)cc3C2)cc1C ZINC000808453026 626826740 /nfs/dbraw/zinc/82/67/40/626826740.db2.gz VOIRLMOQCQDMNZ-MRXNPFEDSA-N 1 0 301.361 3.241 20 10 DGCDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000133850910 626842760 /nfs/dbraw/zinc/84/27/60/626842760.db2.gz UIQYAXILUVXNSJ-INIZCTEOSA-N 1 0 317.477 3.242 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCCC2=O)c1O ZINC000808672393 626848214 /nfs/dbraw/zinc/84/82/14/626848214.db2.gz MCMSGRHFEWNDSQ-LBPRGKRZSA-N 1 0 310.825 3.017 20 10 DGCDRO CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808673071 626848386 /nfs/dbraw/zinc/84/83/86/626848386.db2.gz WLDIEWFUUUHBAI-NSHDSACASA-N 1 0 310.825 3.016 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1O ZINC000808679833 626848915 /nfs/dbraw/zinc/84/89/15/626848915.db2.gz BPHJZBNVLCGTDL-TZMCWYRMSA-N 1 0 315.841 3.038 20 10 DGCDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808693232 626849895 /nfs/dbraw/zinc/84/98/95/626849895.db2.gz WGPYOSGLSBZTRA-GFCCVEGCSA-N 1 0 324.852 3.263 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)c1O ZINC000808702516 626851160 /nfs/dbraw/zinc/85/11/60/626851160.db2.gz YAOCAYZNDPDZHY-SGMGOOAPSA-N 1 0 313.825 3.199 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)c1O ZINC000808706832 626851692 /nfs/dbraw/zinc/85/16/92/626851692.db2.gz VYUVASWAIVIZHU-ADWYPQAOSA-N 1 0 303.855 3.162 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c1O ZINC000808716671 626853307 /nfs/dbraw/zinc/85/33/07/626853307.db2.gz SFDOZBCFNAGTEE-LBPRGKRZSA-N 1 0 320.820 3.212 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]([C@@H]3CCCO3)C1)CCCC2 ZINC000884481520 626887983 /nfs/dbraw/zinc/88/79/83/626887983.db2.gz MCLIOJMSGPYJBT-APWZRJJASA-N 1 0 301.430 3.272 20 10 DGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840170529 626904054 /nfs/dbraw/zinc/90/40/54/626904054.db2.gz PCZTZFAAGFWOKG-UHFFFAOYSA-N 1 0 320.396 3.110 20 10 DGCDRO C[N@H+](CCCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809661164 626934008 /nfs/dbraw/zinc/93/40/08/626934008.db2.gz VZXRIPSASKGKMN-UHFFFAOYSA-N 1 0 310.441 3.064 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c1 ZINC000809700559 626938506 /nfs/dbraw/zinc/93/85/06/626938506.db2.gz JCHCAWHNDHMRSM-GOEBONIOSA-N 1 0 307.434 3.306 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cnc(C3CCC3)s2)c1O ZINC000809740224 626944138 /nfs/dbraw/zinc/94/41/38/626944138.db2.gz QHCQDLFAEOKZAS-UHFFFAOYSA-N 1 0 304.415 3.415 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000809749336 626946580 /nfs/dbraw/zinc/94/65/80/626946580.db2.gz MRSFUDXGXWDODN-UHFFFAOYSA-N 1 0 317.408 3.420 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(O)c1 ZINC000809758689 626948235 /nfs/dbraw/zinc/94/82/35/626948235.db2.gz TXVYTQMQRBFDGZ-CVEARBPZSA-N 1 0 319.445 3.430 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1F ZINC000809766502 626948725 /nfs/dbraw/zinc/94/87/25/626948725.db2.gz ZHYCBLLMVJZXTL-QAPCUYQASA-N 1 0 321.484 3.444 20 10 DGCDRO CC(C)[N@@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1CCC(=O)N1 ZINC000840187705 626958534 /nfs/dbraw/zinc/95/85/34/626958534.db2.gz WNMTYXCTONPHDF-HNNXBMFYSA-N 1 0 312.413 3.034 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000810170328 626983933 /nfs/dbraw/zinc/98/39/33/626983933.db2.gz IQEGDNANKHMLDL-QGZVFWFLSA-N 1 0 319.426 3.040 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810239844 626991531 /nfs/dbraw/zinc/99/15/31/626991531.db2.gz IDJNZZYFRFYJRO-GXFFZTMASA-N 1 0 304.356 3.402 20 10 DGCDRO CSC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC[NH+](C)CC1 ZINC000810252272 626993224 /nfs/dbraw/zinc/99/32/24/626993224.db2.gz MWPCSTKFGPUWIL-GFCCVEGCSA-N 1 0 312.454 3.009 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000135909794 627012190 /nfs/dbraw/zinc/01/21/90/627012190.db2.gz DKWJSAFSEYYLCN-OAQYLSRUSA-N 1 0 324.468 3.456 20 10 DGCDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000886280364 627130527 /nfs/dbraw/zinc/13/05/27/627130527.db2.gz CSLQMHSXQPWMCU-VTCANLHHSA-N 1 0 314.473 3.029 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1O ZINC000886345213 627141025 /nfs/dbraw/zinc/14/10/25/627141025.db2.gz UUBACHALMHYHDB-KRWDZBQOSA-N 1 0 305.418 3.230 20 10 DGCDRO Fc1cc(C[NH2+]C2CCC=CCC2)ccc1N1CCOCC1 ZINC000886376707 627144806 /nfs/dbraw/zinc/14/48/06/627144806.db2.gz SFWGHPYGXIVIDR-UHFFFAOYSA-N 1 0 304.409 3.251 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1c([O-])cccc1F ZINC000886497013 627153184 /nfs/dbraw/zinc/15/31/84/627153184.db2.gz OMNVTMQAALMNCB-GFCCVEGCSA-N 1 0 316.376 3.084 20 10 DGCDRO CCOCCO[C@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000138476890 627173951 /nfs/dbraw/zinc/17/39/51/627173951.db2.gz IJCKRRPIFSYFLY-KRWDZBQOSA-N 1 0 321.461 3.451 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1 ZINC000886677248 627188017 /nfs/dbraw/zinc/18/80/17/627188017.db2.gz UKLHKIRTJPOJMF-XJKSGUPXSA-N 1 0 303.377 3.094 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1ccccc1O ZINC000886771137 627202976 /nfs/dbraw/zinc/20/29/76/627202976.db2.gz CRBNQHLPGZWRBU-ZFHCCXERSA-N 1 0 305.418 3.015 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1[C@H]1CCCO1)CCC2 ZINC000811791955 627322763 /nfs/dbraw/zinc/32/27/63/627322763.db2.gz KOKILQUODSREPC-RTBURBONSA-N 1 0 313.441 3.414 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811792605 627322807 /nfs/dbraw/zinc/32/28/07/627322807.db2.gz PZOIYQDOJFRWNA-YJBOKZPZSA-N 1 0 317.429 3.243 20 10 DGCDRO CCCn1nc(C)c(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1C ZINC000813330722 627478832 /nfs/dbraw/zinc/47/88/32/627478832.db2.gz FFLVNTDFUKBCLQ-GFCCVEGCSA-N 1 0 317.433 3.475 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3c(C)cccn23)c1 ZINC000813331685 627478917 /nfs/dbraw/zinc/47/89/17/627478917.db2.gz RDWGKXQMTBWLJK-CYBMUJFWSA-N 1 0 311.385 3.208 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1C ZINC000813789788 627512036 /nfs/dbraw/zinc/51/20/36/627512036.db2.gz CXQMXTCVSNMZMX-UHFFFAOYSA-N 1 0 322.408 3.145 20 10 DGCDRO CCCc1nc(C)c(C[NH2+]Cc2ccc(OCC)cc2O)o1 ZINC000813791812 627512198 /nfs/dbraw/zinc/51/21/98/627512198.db2.gz FXHOXNHWTOSHHJ-UHFFFAOYSA-N 1 0 304.390 3.330 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC000813796710 627512792 /nfs/dbraw/zinc/51/27/92/627512792.db2.gz DXPPPGNHUFDSJL-QGZVFWFLSA-N 1 0 321.804 3.268 20 10 DGCDRO Cn1nccc1-c1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000814291953 627557406 /nfs/dbraw/zinc/55/74/06/627557406.db2.gz HGGQKOQGFORTMI-UHFFFAOYSA-N 1 0 319.408 3.312 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815015220 627617102 /nfs/dbraw/zinc/61/71/02/627617102.db2.gz HNAWSOZVWNCFCT-UHFFFAOYSA-N 1 0 318.461 3.226 20 10 DGCDRO Cc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)ccc1N(C)C ZINC000815041850 627618326 /nfs/dbraw/zinc/61/83/26/627618326.db2.gz FHAADFILOYJAFG-GOSISDBHSA-N 1 0 301.478 3.121 20 10 DGCDRO Cc1cc(C[NH2+][C@](C)(CO)C2CCCCC2)ccc1N(C)C ZINC000815052438 627619791 /nfs/dbraw/zinc/61/97/91/627619791.db2.gz ONHBBDBHQXKOMG-LJQANCHMSA-N 1 0 304.478 3.482 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815059634 627620706 /nfs/dbraw/zinc/62/07/06/627620706.db2.gz YROVPNPACIJMHZ-MRXNPFEDSA-N 1 0 318.461 3.225 20 10 DGCDRO Cc1cc(CN2CCC3(CCC[N@@H+]3C)CC2)ccc1N(C)C ZINC000815079502 627623838 /nfs/dbraw/zinc/62/38/38/627623838.db2.gz UHMIQYPFQMCYRJ-UHFFFAOYSA-N 1 0 301.478 3.121 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1O ZINC000815083369 627624340 /nfs/dbraw/zinc/62/43/40/627624340.db2.gz OIXRALKKSVCWOL-DOTOQJQBSA-N 1 0 303.377 3.176 20 10 DGCDRO c1onc(Cc2ccccc2)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000815122872 627631395 /nfs/dbraw/zinc/63/13/95/627631395.db2.gz QGTAEWQHDPGMKJ-UHFFFAOYSA-N 1 0 320.392 3.490 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-n2cnnc2)c1 ZINC000924573673 627650379 /nfs/dbraw/zinc/65/03/79/627650379.db2.gz JHBREUBFCWZQKT-OAHLLOKOSA-N 1 0 321.428 3.184 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-n2cnnc2)c1 ZINC000924573665 627650655 /nfs/dbraw/zinc/65/06/55/627650655.db2.gz JHBREUBFCWZQKT-HNNXBMFYSA-N 1 0 321.428 3.184 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)ccc1N(C)C ZINC000815251392 627651672 /nfs/dbraw/zinc/65/16/72/627651672.db2.gz ZIIVXQAEBNSINQ-GOSISDBHSA-N 1 0 304.478 3.338 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000815556476 627684770 /nfs/dbraw/zinc/68/47/70/627684770.db2.gz WBJMNYLUBUNRJI-ULQDDVLXSA-N 1 0 320.477 3.159 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815570992 627685405 /nfs/dbraw/zinc/68/54/05/627685405.db2.gz QSBNUAPMOIPHDY-WDEREUQCSA-N 1 0 304.356 3.402 20 10 DGCDRO C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815570991 627685639 /nfs/dbraw/zinc/68/56/39/627685639.db2.gz QSBNUAPMOIPHDY-QWRGUYRKSA-N 1 0 304.356 3.402 20 10 DGCDRO CN1CC[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815576537 627686076 /nfs/dbraw/zinc/68/60/76/627686076.db2.gz SHYCMXCRKFBHHF-PKOBYXMFSA-N 1 0 310.441 3.360 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(O)c1 ZINC000815571879 627686248 /nfs/dbraw/zinc/68/62/48/627686248.db2.gz PEMQXWDXPRAWDY-STQMWFEESA-N 1 0 316.367 3.296 20 10 DGCDRO COc1ccncc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815629234 627692846 /nfs/dbraw/zinc/69/28/46/627692846.db2.gz XSXQTWKWHNJKTA-GWCFXTLKSA-N 1 0 302.349 3.273 20 10 DGCDRO COc1ccncc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815629236 627693032 /nfs/dbraw/zinc/69/30/32/627693032.db2.gz XSXQTWKWHNJKTA-MFKMUULPSA-N 1 0 302.349 3.273 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815632894 627693051 /nfs/dbraw/zinc/69/30/51/627693051.db2.gz AYVKFNURSSGYLG-OBJOEFQTSA-N 1 0 322.424 3.222 20 10 DGCDRO Cc1nccnc1CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815651065 627695001 /nfs/dbraw/zinc/69/50/01/627695001.db2.gz JCAPRSXHFWRGGE-YGRLFVJLSA-N 1 0 301.365 3.010 20 10 DGCDRO C[C@H](c1cc(Cl)ccc1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925751171 627787068 /nfs/dbraw/zinc/78/70/68/627787068.db2.gz KRFACDGXHOILDU-SECBINFHSA-N 1 0 323.849 3.080 20 10 DGCDRO COCCOC[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816516379 627800627 /nfs/dbraw/zinc/80/06/27/627800627.db2.gz CXNGSOKNJQPNPK-HNNXBMFYSA-N 1 0 315.413 3.030 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000816521119 627801839 /nfs/dbraw/zinc/80/18/39/627801839.db2.gz HQRBEIMHAWYDPV-NWDGAFQWSA-N 1 0 313.800 3.433 20 10 DGCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816520147 627801895 /nfs/dbraw/zinc/80/18/95/627801895.db2.gz HNFNSTGRROKXOR-GFCCVEGCSA-N 1 0 301.789 3.432 20 10 DGCDRO O=C(NCC[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816541028 627803994 /nfs/dbraw/zinc/80/39/94/627803994.db2.gz AMRSCIQXJLDACQ-UHFFFAOYSA-N 1 0 320.392 3.065 20 10 DGCDRO Oc1c(C[NH2+]C[C@H](O)Cc2ccccc2)ccc2ccccc21 ZINC000816547983 627806169 /nfs/dbraw/zinc/80/61/69/627806169.db2.gz QEGVWSKVHVNKCW-GOSISDBHSA-N 1 0 307.393 3.239 20 10 DGCDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccc4ccccc4c3O)C2)c1 ZINC000816616155 627815733 /nfs/dbraw/zinc/81/57/33/627815733.db2.gz POBUUBFAAPWSIJ-KRWDZBQOSA-N 1 0 307.397 3.497 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)cc1C ZINC000816637569 627817484 /nfs/dbraw/zinc/81/74/84/627817484.db2.gz IALAZRRXCSSYKB-SFHVURJKSA-N 1 0 314.429 3.253 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000816630967 627817523 /nfs/dbraw/zinc/81/75/23/627817523.db2.gz ZDROPKNGNSMHDI-GOSISDBHSA-N 1 0 302.462 3.412 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)cc1F ZINC000817412344 627895975 /nfs/dbraw/zinc/89/59/75/627895975.db2.gz IYJVKHKKRYYZIH-ZBFHGGJFSA-N 1 0 308.441 3.122 20 10 DGCDRO C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000817414143 627896098 /nfs/dbraw/zinc/89/60/98/627896098.db2.gz SZSSDOPDEFJAHO-UHFFFAOYSA-N 1 0 300.805 3.147 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1cn(C)cn1 ZINC000926596565 627919973 /nfs/dbraw/zinc/91/99/73/627919973.db2.gz PWLXUVLBTTXQBP-GJZGRUSLSA-N 1 0 300.450 3.076 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1ccc(N(C)C)cc1 ZINC000817587939 627927552 /nfs/dbraw/zinc/92/75/52/627927552.db2.gz KNFMTVANGYKTAD-CRAIPNDOSA-N 1 0 320.477 3.377 20 10 DGCDRO C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817902526 627957419 /nfs/dbraw/zinc/95/74/19/627957419.db2.gz SKKMUDPIIZVUAM-QFBILLFUSA-N 1 0 301.478 3.153 20 10 DGCDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938556 627966268 /nfs/dbraw/zinc/96/62/68/627966268.db2.gz MZMAICANSUOCOG-PMACEKPBSA-N 1 0 309.457 3.338 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000817938750 627967301 /nfs/dbraw/zinc/96/73/01/627967301.db2.gz RHCNELAYAHIGIU-IRXDYDNUSA-N 1 0 315.486 3.481 20 10 DGCDRO Cc1cc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)o1 ZINC000817939213 627967859 /nfs/dbraw/zinc/96/78/59/627967859.db2.gz AMMIEAOHFFGXKI-ACJLOTCBSA-N 1 0 301.434 3.313 20 10 DGCDRO Cc1cc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)oc1C ZINC000817941875 627968414 /nfs/dbraw/zinc/96/84/14/627968414.db2.gz LHYQUQDMFGWJEB-DYVFJYSZSA-N 1 0 301.434 3.313 20 10 DGCDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940726 627968511 /nfs/dbraw/zinc/96/85/11/627968511.db2.gz HMYZVRCSHRITFZ-JSNMRZPZSA-N 1 0 309.457 3.276 20 10 DGCDRO CC[C@@H]([NH2+]CCCNCc1cccnc1)c1ccc(C)cc1O ZINC000817942231 627968561 /nfs/dbraw/zinc/96/85/61/627968561.db2.gz ZJISBKDTUAAZSN-GOSISDBHSA-N 1 0 313.445 3.316 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817940784 627968710 /nfs/dbraw/zinc/96/87/10/627968710.db2.gz HSXVBHSSCKEOEE-KBXCAEBGSA-N 1 0 313.445 3.117 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCNCc2cccnc2)c(O)c1 ZINC000817941335 627968747 /nfs/dbraw/zinc/96/87/47/627968747.db2.gz SWHQYKGBWYZYOH-MRXNPFEDSA-N 1 0 313.445 3.235 20 10 DGCDRO C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817942430 627970100 /nfs/dbraw/zinc/97/01/00/627970100.db2.gz YMIWRRWAPKQARV-VIFPVBQESA-N 1 0 303.233 3.349 20 10 DGCDRO C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817947768 627970764 /nfs/dbraw/zinc/97/07/64/627970764.db2.gz QLPFVOKKEGMYNF-KPPDAEKUSA-N 1 0 302.340 3.332 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000817948098 627971784 /nfs/dbraw/zinc/97/17/84/627971784.db2.gz VETXXUYJDWRKRF-GRYCIOLGSA-N 1 0 316.367 3.450 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Br)nc1 ZINC000817956971 627974161 /nfs/dbraw/zinc/97/41/61/627974161.db2.gz GRMNKZZSWVGUQK-LLVKDONJSA-N 1 0 320.234 3.320 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1nc2c(s1)CCCC2 ZINC000817956798 627974177 /nfs/dbraw/zinc/97/41/77/627974177.db2.gz DDEHDEXFCHOBAD-GFCCVEGCSA-N 1 0 301.459 3.497 20 10 DGCDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)OCCO2 ZINC000817955690 627974248 /nfs/dbraw/zinc/97/42/48/627974248.db2.gz FOFLRRLBTLFIAK-QGZVFWFLSA-N 1 0 312.413 3.323 20 10 DGCDRO COc1cc(F)c([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000817955458 627974266 /nfs/dbraw/zinc/97/42/66/627974266.db2.gz BJHHIWZPOLUAFG-GFCCVEGCSA-N 1 0 318.392 3.318 20 10 DGCDRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2ccc(N)cc2)s1 ZINC000817958820 627974875 /nfs/dbraw/zinc/97/48/75/627974875.db2.gz YUIKBXROIBHRGW-GFCCVEGCSA-N 1 0 319.474 3.116 20 10 DGCDRO C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817959867 627975521 /nfs/dbraw/zinc/97/55/21/627975521.db2.gz JSBXDQTZNBWJAZ-KXBFYZLASA-N 1 0 301.478 3.455 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000817960801 627975833 /nfs/dbraw/zinc/97/58/33/627975833.db2.gz QMPIFFMHYGQRPQ-ZETCQYMHSA-N 1 0 321.646 3.196 20 10 DGCDRO C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817962466 627977080 /nfs/dbraw/zinc/97/70/80/627977080.db2.gz MSWBHAPUFQCJHW-HTQZYQBOSA-N 1 0 321.646 3.054 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000817976169 627980897 /nfs/dbraw/zinc/98/08/97/627980897.db2.gz HODSDBSNEWQVHC-OTYXRUKQSA-N 1 0 315.244 3.492 20 10 DGCDRO C[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817976854 627981411 /nfs/dbraw/zinc/98/14/11/627981411.db2.gz VNDSFDMWXKXKAH-KBMXLJTQSA-N 1 0 323.431 3.167 20 10 DGCDRO CC[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1O ZINC000817980114 627982365 /nfs/dbraw/zinc/98/23/65/627982365.db2.gz IUUILYBMZUXUKA-AAEUAGOBSA-N 1 0 304.768 3.084 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1 ZINC000926923595 627982607 /nfs/dbraw/zinc/98/26/07/627982607.db2.gz WRWQQGNPDBHZJH-STQMWFEESA-N 1 0 316.367 3.378 20 10 DGCDRO C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984367 627983419 /nfs/dbraw/zinc/98/34/19/627983419.db2.gz RHFMFSKBWCSKLQ-VIFPVBQESA-N 1 0 303.233 3.492 20 10 DGCDRO CCO[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)CN(C)C ZINC000926965053 627990401 /nfs/dbraw/zinc/99/04/01/627990401.db2.gz ZWEGWFBGTHJFBH-GOEBONIOSA-N 1 0 316.445 3.163 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c(O)c1 ZINC000927056168 628003383 /nfs/dbraw/zinc/00/33/83/628003383.db2.gz JEKWDFLFGOMVFM-DARAHFNDSA-N 1 0 305.418 3.342 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(O)c3)C2)cc1 ZINC000818219393 628005959 /nfs/dbraw/zinc/00/59/59/628005959.db2.gz DSZOGIROWHSDKD-INIZCTEOSA-N 1 0 312.413 3.017 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccccc3O)C2)cc1 ZINC000818220849 628006230 /nfs/dbraw/zinc/00/62/30/628006230.db2.gz NAXCCVHGEOASAD-HNNXBMFYSA-N 1 0 312.413 3.017 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000818221778 628006388 /nfs/dbraw/zinc/00/63/88/628006388.db2.gz SZSOWYAIBQTKKT-DLBZAZTESA-N 1 0 300.446 3.467 20 10 DGCDRO Fc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)ccc1N1CCOCC1 ZINC000818223179 628006723 /nfs/dbraw/zinc/00/67/23/628006723.db2.gz SFYCOHXQSIUWFB-IRXDYDNUSA-N 1 0 318.436 3.188 20 10 DGCDRO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000927086361 628011277 /nfs/dbraw/zinc/01/12/77/628011277.db2.gz SOOVEEIXCSASSL-APWZRJJASA-N 1 0 318.461 3.133 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)nn2C)c2c1c(F)ccc2O ZINC000927100735 628013959 /nfs/dbraw/zinc/01/39/59/628013959.db2.gz JBLWBGWAHCOYNO-MEBBXXQBSA-N 1 0 315.392 3.480 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)nn2C)c2c1c(F)ccc2O ZINC000927100736 628014004 /nfs/dbraw/zinc/01/40/04/628014004.db2.gz JBLWBGWAHCOYNO-ZUZCIYMTSA-N 1 0 315.392 3.480 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000818342100 628015851 /nfs/dbraw/zinc/01/58/51/628015851.db2.gz LOUYAKKCLVVXTL-CRAIPNDOSA-N 1 0 300.446 3.444 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccoc3)C2)cc1 ZINC000818345791 628016845 /nfs/dbraw/zinc/01/68/45/628016845.db2.gz YCSINUYHZWLZCK-GJZGRUSLSA-N 1 0 300.402 3.465 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2O)c1 ZINC000927138909 628025070 /nfs/dbraw/zinc/02/50/70/628025070.db2.gz IDMFCPQRLHXNOY-RQUSPXKASA-N 1 0 313.397 3.100 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c(O)c1 ZINC000927154831 628027314 /nfs/dbraw/zinc/02/73/14/628027314.db2.gz DTKOZWIGSPKSSV-MDYRTPRTSA-N 1 0 311.425 3.444 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)CCC(C)C)CC2)cc1 ZINC000819001768 628076327 /nfs/dbraw/zinc/07/63/27/628076327.db2.gz DURKMRJQDLUCEA-SFHVURJKSA-N 1 0 320.477 3.051 20 10 DGCDRO Cc1ccccc1[C@H](O)C[NH2+]CCCSc1nccs1 ZINC000819064244 628085325 /nfs/dbraw/zinc/08/53/25/628085325.db2.gz UZQPJDXJQSCUCY-CQSZACIVSA-N 1 0 308.472 3.257 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000819077413 628087783 /nfs/dbraw/zinc/08/77/83/628087783.db2.gz KOTWEOSPVACVGL-OXQOHEQNSA-N 1 0 312.457 3.315 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1cccc(F)c1 ZINC000819094433 628091234 /nfs/dbraw/zinc/09/12/34/628091234.db2.gz GRHMULJLMLORTI-LJQANCHMSA-N 1 0 312.388 3.025 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)CC1CCCC1 ZINC000819095219 628091254 /nfs/dbraw/zinc/09/12/54/628091254.db2.gz BYASQCSJOCASAE-LJQANCHMSA-N 1 0 300.446 3.094 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1 ZINC000822515412 628459972 /nfs/dbraw/zinc/45/99/72/628459972.db2.gz ANTDZURROHPHGJ-IBGZPJMESA-N 1 0 315.413 3.130 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1 ZINC000822515413 628459994 /nfs/dbraw/zinc/45/99/94/628459994.db2.gz ANTDZURROHPHGJ-LJQANCHMSA-N 1 0 315.413 3.130 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1 ZINC000823476966 628566606 /nfs/dbraw/zinc/56/66/06/628566606.db2.gz FURDMUPEKGGILU-GOSISDBHSA-N 1 0 316.470 3.341 20 10 DGCDRO COc1cc(F)cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000823736669 628591772 /nfs/dbraw/zinc/59/17/72/628591772.db2.gz KDYCMLQDCYYNJU-UHFFFAOYSA-N 1 0 306.356 3.329 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]CCC(C)(F)F)c1O ZINC000824483860 628664460 /nfs/dbraw/zinc/66/44/60/628664460.db2.gz VWGQOSREXMKQFT-UHFFFAOYSA-N 1 0 324.165 3.298 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]CC[C@@H]1CCc3ccccc31)OCO2 ZINC000824549083 628669727 /nfs/dbraw/zinc/66/97/27/628669727.db2.gz YDNBFGOWBVLWOA-AWEZNQCLSA-N 1 0 311.381 3.331 20 10 DGCDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824627616 628678611 /nfs/dbraw/zinc/67/86/11/628678611.db2.gz QOOCMHHPCJRGEZ-HNNXBMFYSA-N 1 0 324.852 3.187 20 10 DGCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824650473 628680590 /nfs/dbraw/zinc/68/05/90/628680590.db2.gz QJOGJQSJGWVSPV-CYBMUJFWSA-N 1 0 324.852 3.092 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1OC ZINC000824702046 628685450 /nfs/dbraw/zinc/68/54/50/628685450.db2.gz HFFFFMJXGOGOMJ-JUIVLLAYSA-N 1 0 315.413 3.053 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000824715518 628686229 /nfs/dbraw/zinc/68/62/29/628686229.db2.gz LDGNIECBXXPLRB-ARFHVFGLSA-N 1 0 309.837 3.479 20 10 DGCDRO C[N@H+](Cc1cc(F)ccc1O)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733446 628688165 /nfs/dbraw/zinc/68/81/65/628688165.db2.gz TVZPUVCFPAXGIZ-UHFFFAOYSA-N 1 0 324.396 3.019 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000824769694 628691359 /nfs/dbraw/zinc/69/13/59/628691359.db2.gz XXRCXJJOJYCTHE-WCQYABFASA-N 1 0 323.742 3.242 20 10 DGCDRO Oc1c(C[NH2+]CC2(CF)CCOCC2)ccc2ccccc21 ZINC000824794788 628694678 /nfs/dbraw/zinc/69/46/78/628694678.db2.gz IJINWKCOPHMCEW-UHFFFAOYSA-N 1 0 303.377 3.401 20 10 DGCDRO COc1cc(C[N@H+](C)CC2(O)CCCC2)c(O)c(C(C)(C)C)c1 ZINC000824828618 628698215 /nfs/dbraw/zinc/69/82/15/628698215.db2.gz CMWFDIOYDFJLSM-UHFFFAOYSA-N 1 0 321.461 3.435 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000824846599 628699868 /nfs/dbraw/zinc/69/98/68/628699868.db2.gz UMFCZHGETNGZJU-FUHWJXTLSA-N 1 0 309.450 3.170 20 10 DGCDRO OC[C@@H]([C@@H]([NH2+]Cc1ccc2ccccc2c1O)C1CC1)C1CC1 ZINC000824846323 628699908 /nfs/dbraw/zinc/69/99/08/628699908.db2.gz QRPBZQOCSSJMJN-MOPGFXCFSA-N 1 0 311.425 3.432 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)C2)c(O)c(C(C)(C)C)c1 ZINC000824849715 628700055 /nfs/dbraw/zinc/70/00/55/628700055.db2.gz HDHLQPSQIUKSEC-SFHVURJKSA-N 1 0 307.434 3.045 20 10 DGCDRO C[C@@H]1CN(Cc2ccccc2)CC[N@H+](Cc2ccccc2O)C1 ZINC000824976531 628712537 /nfs/dbraw/zinc/71/25/37/628712537.db2.gz BVQQDCLIJLVWDL-QGZVFWFLSA-N 1 0 310.441 3.346 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](CO)CC(C)(C)C)c1O ZINC000825041024 628720154 /nfs/dbraw/zinc/72/01/54/628720154.db2.gz YZJVPIMOPQKTKA-ZDUSSCGKSA-N 1 0 315.841 3.283 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2nnc3ccccn32)cc1Cl ZINC000825070885 628725105 /nfs/dbraw/zinc/72/51/05/628725105.db2.gz OFQQBZIDLOUHEC-LLVKDONJSA-N 1 0 316.792 3.248 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825090457 628726127 /nfs/dbraw/zinc/72/61/27/628726127.db2.gz VXPRHCBOTOPHMC-KRWDZBQOSA-N 1 0 321.804 3.186 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)[C@@H](OC)C2CC2)ccc1OC ZINC000825098206 628727623 /nfs/dbraw/zinc/72/76/23/628727623.db2.gz CVASZTPKWONYPU-FZKQIMNGSA-N 1 0 307.434 3.135 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000825112247 628729454 /nfs/dbraw/zinc/72/94/54/628729454.db2.gz SBWOMBOFXNDGJA-HUUCEWRRSA-N 1 0 324.424 3.157 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCC(=O)NC2CCCCC2)cc1Cl ZINC000825131540 628730882 /nfs/dbraw/zinc/73/08/82/628730882.db2.gz PIBLZTYNOOKKFY-UHFFFAOYSA-N 1 0 324.852 3.283 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C(=O)N2CCCC[C@@H]2C)cc1Cl ZINC000825191108 628736084 /nfs/dbraw/zinc/73/60/84/628736084.db2.gz WAUDPNASUVRECJ-QWHCGFSZSA-N 1 0 324.852 3.233 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C2(O)CCCC2)c1 ZINC000825239701 628740893 /nfs/dbraw/zinc/74/08/93/628740893.db2.gz COONOTDXHBZFOK-ZDUSSCGKSA-N 1 0 307.434 3.383 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccccc2)cc1Cl ZINC000825284030 628746392 /nfs/dbraw/zinc/74/63/92/628746392.db2.gz WPMBOEKSPLUXFM-KRWDZBQOSA-N 1 0 305.805 3.351 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)c2cccc(F)c2)cc1Cl ZINC000825278957 628746424 /nfs/dbraw/zinc/74/64/24/628746424.db2.gz QMNQAYPXFQEHGW-HNNXBMFYSA-N 1 0 309.768 3.316 20 10 DGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000825284621 628746517 /nfs/dbraw/zinc/74/65/17/628746517.db2.gz TVAUBLWCXPRZQI-TZMCWYRMSA-N 1 0 314.223 3.202 20 10 DGCDRO COc1cc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)ccc1O ZINC000825291669 628747217 /nfs/dbraw/zinc/74/72/17/628747217.db2.gz OJQURKXTHRKJNC-UHFFFAOYSA-N 1 0 321.804 3.401 20 10 DGCDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000825325496 628749821 /nfs/dbraw/zinc/74/98/21/628749821.db2.gz CZFPZUWIVXSRHT-GFCCVEGCSA-N 1 0 319.376 3.269 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@@H](O)C(F)(F)F ZINC000825390803 628756964 /nfs/dbraw/zinc/75/69/64/628756964.db2.gz LJFRPISMHQSWLY-CMPLNLGQSA-N 1 0 311.731 3.145 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H]1CCCO1 ZINC000825391520 628757059 /nfs/dbraw/zinc/75/70/59/628757059.db2.gz XOERRIIHWYDULO-JSGCOSHPSA-N 1 0 314.223 3.202 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1Cl ZINC000825697919 628787016 /nfs/dbraw/zinc/78/70/16/628787016.db2.gz KWYIEGFCEFSSLE-ZDUSSCGKSA-N 1 0 303.789 3.317 20 10 DGCDRO COc1cc(C[NH2+][C@@H](CO)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000825716593 628789868 /nfs/dbraw/zinc/78/98/68/628789868.db2.gz VTJPMOBUXZRWFV-HNNXBMFYSA-N 1 0 309.450 3.195 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc([S@@](C)=O)cc2)cc1Cl ZINC000825943545 628812800 /nfs/dbraw/zinc/81/28/00/628812800.db2.gz GZPOFMYJXSLHAV-OAQYLSRUSA-N 1 0 323.845 3.381 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H](O)CC2)c(O)c(C(C)(C)C)c1 ZINC000826023859 628820746 /nfs/dbraw/zinc/82/07/46/628820746.db2.gz IXXCLCFHRVYUMW-CQSZACIVSA-N 1 0 307.434 3.045 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000826048663 628823254 /nfs/dbraw/zinc/82/32/54/628823254.db2.gz JSPBXGZXTCHCEB-IMJJTQAJSA-N 1 0 309.837 3.479 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)c2nccn21 ZINC000826084169 628826542 /nfs/dbraw/zinc/82/65/42/628826542.db2.gz WMJUIHHGCBJWQV-SKDRFNHKSA-N 1 0 322.206 3.147 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)c2nccn21 ZINC000826084166 628826807 /nfs/dbraw/zinc/82/68/07/628826807.db2.gz WMJUIHHGCBJWQV-BXKDBHETSA-N 1 0 322.206 3.147 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000826097028 628827505 /nfs/dbraw/zinc/82/75/05/628827505.db2.gz MNGMTFPJIVCAMD-RNCFNFMXSA-N 1 0 323.742 3.099 20 10 DGCDRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000826139377 628830570 /nfs/dbraw/zinc/83/05/70/628830570.db2.gz AEVHTQHHKAVPCL-UHFFFAOYSA-N 1 0 319.714 3.088 20 10 DGCDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000826910313 628902566 /nfs/dbraw/zinc/90/25/66/628902566.db2.gz FAQMZXHRGSWXDX-VVBPWWLESA-N 1 0 317.454 3.325 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@H+](C)CC2CN(C)C2)cc1 ZINC000827126181 628925228 /nfs/dbraw/zinc/92/52/28/628925228.db2.gz XCBUEUWKVHHJBZ-UHFFFAOYSA-N 1 0 303.494 3.306 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000827151696 628928784 /nfs/dbraw/zinc/92/87/84/628928784.db2.gz IGLJGNMTAUVSHJ-MEDHRJKHSA-N 1 0 300.446 3.003 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2c(C3CC3)cnn2C)c1O ZINC000827252067 628941917 /nfs/dbraw/zinc/94/19/17/628941917.db2.gz VRYCHLAZITYXHV-UHFFFAOYSA-N 1 0 305.809 3.255 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCc3cc(OC)ccc3C2)c1O ZINC000827304950 628947162 /nfs/dbraw/zinc/94/71/62/628947162.db2.gz KJSLXURQGHYFHZ-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)c1 ZINC000827525604 628968129 /nfs/dbraw/zinc/96/81/29/628968129.db2.gz BIZFDDMMESFDAA-OALUTQOASA-N 1 0 315.413 3.249 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)c1 ZINC000827525607 628968135 /nfs/dbraw/zinc/96/81/35/628968135.db2.gz BIZFDDMMESFDAA-RBUKOAKNSA-N 1 0 315.413 3.249 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1O ZINC000827640010 628979026 /nfs/dbraw/zinc/97/90/26/628979026.db2.gz QDWJGYHDIJPRNP-QGZVFWFLSA-N 1 0 313.397 3.444 20 10 DGCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000827812524 628993772 /nfs/dbraw/zinc/99/37/72/628993772.db2.gz OOHSBQPZEYXRKG-JCNLHEQBSA-N 1 0 311.381 3.100 20 10 DGCDRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000827930350 629004744 /nfs/dbraw/zinc/00/47/44/629004744.db2.gz HOIWEQGDROQGHU-QAPCUYQASA-N 1 0 324.424 3.234 20 10 DGCDRO CCC[C@H](O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000827945191 629006549 /nfs/dbraw/zinc/00/65/49/629006549.db2.gz RCUFKWJMOMLJGA-ZDUSSCGKSA-N 1 0 316.239 3.138 20 10 DGCDRO C[C@H](NC(=O)c1sccc1C[NH+](C)C)c1ccccc1O ZINC000827973332 629009782 /nfs/dbraw/zinc/00/97/82/629009782.db2.gz LWMOSTGALDYTIR-NSHDSACASA-N 1 0 304.415 3.006 20 10 DGCDRO C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1O ZINC000827973155 629009930 /nfs/dbraw/zinc/00/99/30/629009930.db2.gz JDTVPRLFKHPCNR-GJZGRUSLSA-N 1 0 316.445 3.224 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)ccc1N1CCCCC1 ZINC000828846623 629099821 /nfs/dbraw/zinc/09/98/21/629099821.db2.gz MCLSRYKJBRBYRV-AEFFLSMTSA-N 1 0 302.462 3.500 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)ccc1N1CCCCC1 ZINC000828846625 629100007 /nfs/dbraw/zinc/10/00/07/629100007.db2.gz MCLSRYKJBRBYRV-SJLPKXTDSA-N 1 0 302.462 3.500 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)ccc1N(C)C ZINC000828910098 629108207 /nfs/dbraw/zinc/10/82/07/629108207.db2.gz CNIIEXLQEQSRCI-PKOBYXMFSA-N 1 0 302.462 3.452 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC000829506942 629164395 /nfs/dbraw/zinc/16/43/95/629164395.db2.gz XMRWJDQCIFNSEA-CQSZACIVSA-N 1 0 314.360 3.118 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(CO)CC=CC1 ZINC000830517981 629279803 /nfs/dbraw/zinc/27/98/03/629279803.db2.gz MNMARANGKMLFJZ-SFHVURJKSA-N 1 0 302.462 3.196 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1O ZINC000830617667 629288050 /nfs/dbraw/zinc/28/80/50/629288050.db2.gz QWEOATRGANOOJC-LBPRGKRZSA-N 1 0 321.392 3.125 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCC(C)(C)C2)cc1 ZINC000832266831 629457906 /nfs/dbraw/zinc/45/79/06/629457906.db2.gz JLZLTGDGJGDSHT-NVXWUHKLSA-N 1 0 317.477 3.085 20 10 DGCDRO Cc1ccc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc(O)c43)C2=O)cc1 ZINC000834668240 629752535 /nfs/dbraw/zinc/75/25/35/629752535.db2.gz IXTNSKFOMBTWNA-DLBZAZTESA-N 1 0 322.408 3.083 20 10 DGCDRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)c2ccccc21 ZINC000834692672 629759174 /nfs/dbraw/zinc/75/91/74/629759174.db2.gz GVEYPYHUVFAAHH-IRXDYDNUSA-N 1 0 322.408 3.467 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834844999 629789218 /nfs/dbraw/zinc/78/92/18/629789218.db2.gz XLBRABQVVSWGOR-NEPJUHHUSA-N 1 0 303.324 3.327 20 10 DGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)Cc1ccccc1 ZINC000834857054 629791739 /nfs/dbraw/zinc/79/17/39/629791739.db2.gz YLDBOEYZJBXBFF-CZUORRHYSA-N 1 0 303.377 3.440 20 10 DGCDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000834880488 629795914 /nfs/dbraw/zinc/79/59/14/629795914.db2.gz GFMYCZGXYFPQSW-DHSIGJKJSA-N 1 0 315.413 3.248 20 10 DGCDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834882992 629797113 /nfs/dbraw/zinc/79/71/13/629797113.db2.gz FQTTYRIJOAONTO-LZWOXQAQSA-N 1 0 306.425 3.359 20 10 DGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000834886802 629798071 /nfs/dbraw/zinc/79/80/71/629798071.db2.gz NEEZYJLBGKYDDU-GAJTVXKRSA-N 1 0 314.223 3.373 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1O)[C@H](C)O ZINC000834888257 629798409 /nfs/dbraw/zinc/79/84/09/629798409.db2.gz NZTVRUZGHUKVJU-KWBADKCTSA-N 1 0 316.239 3.273 20 10 DGCDRO COCC(COC)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000834893790 629800278 /nfs/dbraw/zinc/80/02/78/629800278.db2.gz XMLXTBHWYDZWTG-CQSZACIVSA-N 1 0 324.440 3.128 20 10 DGCDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834898859 629801835 /nfs/dbraw/zinc/80/18/35/629801835.db2.gz HHYOTVMNZSBJMQ-HZPDHXFCSA-N 1 0 317.477 3.242 20 10 DGCDRO CCC1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)COC1 ZINC000834898475 629801956 /nfs/dbraw/zinc/80/19/56/629801956.db2.gz DPCIGFQGYVAOGE-JTQLQIEISA-N 1 0 314.223 3.232 20 10 DGCDRO COc1cccnc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834907236 629806160 /nfs/dbraw/zinc/80/61/60/629806160.db2.gz ZEGVESPXNOMAIY-ZYHUDNBSSA-N 1 0 302.349 3.273 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1ccc2ccccc2c1O ZINC000834913678 629807518 /nfs/dbraw/zinc/80/75/18/629807518.db2.gz IRIMGHWCWWWQDH-JOQOYGCGSA-N 1 0 324.424 3.349 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1ccc2ccccc2c1O ZINC000834913675 629807718 /nfs/dbraw/zinc/80/77/18/629807718.db2.gz IRIMGHWCWWWQDH-JCKWVBRZSA-N 1 0 324.424 3.349 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000835025796 629828045 /nfs/dbraw/zinc/82/80/45/629828045.db2.gz NLBJTLJLIAYNDO-WAYWQWQTSA-N 1 0 313.489 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000835029679 629830021 /nfs/dbraw/zinc/83/00/21/629830021.db2.gz VWCZYYSPNWGCKM-JWRSSPFQSA-N 1 0 300.446 3.124 20 10 DGCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000835035790 629830474 /nfs/dbraw/zinc/83/04/74/629830474.db2.gz KTTHRZRBUGRRFT-XHPSBEMXSA-N 1 0 321.428 3.159 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@](C)(O)c2ccccc2)cc1 ZINC000835038965 629830954 /nfs/dbraw/zinc/83/09/54/629830954.db2.gz DOPJPTZQCVFMQQ-DUIUGDAFSA-N 1 0 310.441 3.263 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000835043394 629833070 /nfs/dbraw/zinc/83/30/70/629833070.db2.gz QHVBJSIISJQZTA-KSULIHCOSA-N 1 0 300.446 3.313 20 10 DGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041784 629833137 /nfs/dbraw/zinc/83/31/37/629833137.db2.gz NSGNQAIDIDDTSX-LKGOPFMKSA-N 1 0 304.478 3.399 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCNc2ccccn2)cc1 ZINC000835043743 629833712 /nfs/dbraw/zinc/83/37/12/629833712.db2.gz BUGOQBNGBAPLQR-FNORWQNLSA-N 1 0 310.445 3.253 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000835043686 629834094 /nfs/dbraw/zinc/83/40/94/629834094.db2.gz BETYYTFYLZVMTM-BUPXIBQPSA-N 1 0 302.462 3.249 20 10 DGCDRO CO[C@@H](CC[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(F)(F)F ZINC000835049432 629836430 /nfs/dbraw/zinc/83/64/30/629836430.db2.gz DNGCKJOCCXAQRL-RGDDUWESSA-N 1 0 316.367 3.323 20 10 DGCDRO Cc1ccccc1C[C@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835050015 629836608 /nfs/dbraw/zinc/83/66/08/629836608.db2.gz MAQAZBNXXMYUIP-CPSHHHPTSA-N 1 0 324.468 3.267 20 10 DGCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835052937 629837391 /nfs/dbraw/zinc/83/73/91/629837391.db2.gz ITESIKJMGSVEFQ-CNTTWCMLSA-N 1 0 313.489 3.324 20 10 DGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C/C=C\c1ccc(N(C)C)cc1 ZINC000835053126 629837766 /nfs/dbraw/zinc/83/77/66/629837766.db2.gz SVMHQLDIRDEQFM-HRNBTRKXSA-N 1 0 312.457 3.121 20 10 DGCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835052935 629837896 /nfs/dbraw/zinc/83/78/96/629837896.db2.gz ITESIKJMGSVEFQ-AJWBFMOXSA-N 1 0 313.489 3.324 20 10 DGCDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054454 629838460 /nfs/dbraw/zinc/83/84/60/629838460.db2.gz VTHZOHJBQCIHMV-HVMFBIMJSA-N 1 0 301.478 3.038 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000835054896 629838621 /nfs/dbraw/zinc/83/86/21/629838621.db2.gz MYRQVTMJTXGGFD-JUGMSXHOSA-N 1 0 300.446 3.268 20 10 DGCDRO CC[C@@H]1C[N@H+](CC)CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835054957 629839040 /nfs/dbraw/zinc/83/90/40/629839040.db2.gz OMMYGPAUZARBMF-JTHGQSKGSA-N 1 0 301.478 3.182 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000835055624 629839739 /nfs/dbraw/zinc/83/97/39/629839739.db2.gz LVVDZWJBCMFFPT-XXIDSNJLSA-N 1 0 313.489 3.184 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000835055973 629839883 /nfs/dbraw/zinc/83/98/83/629839883.db2.gz QNXDWQLBGKPWSF-XFHJGTJQSA-N 1 0 300.446 3.145 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c1O ZINC000835066410 629842531 /nfs/dbraw/zinc/84/25/31/629842531.db2.gz PKRRGFZBWJPOMS-QGZVFWFLSA-N 1 0 307.434 3.068 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c(O)c1 ZINC000835066152 629842590 /nfs/dbraw/zinc/84/25/90/629842590.db2.gz OYJGIMISDOEXGO-GOSISDBHSA-N 1 0 321.461 3.458 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1O ZINC000835065721 629842688 /nfs/dbraw/zinc/84/26/88/629842688.db2.gz KXFZWOGTDHLOLY-SFHVURJKSA-N 1 0 321.461 3.458 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC000835080665 629846148 /nfs/dbraw/zinc/84/61/48/629846148.db2.gz AHHCDUUHDNCZST-QZTJIDSGSA-N 1 0 316.470 3.388 20 10 DGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000102675100 630195343 /nfs/dbraw/zinc/19/53/43/630195343.db2.gz SKLYYBWLLHDFRS-UHFFFAOYSA-N 1 0 312.413 3.171 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000840761217 630356820 /nfs/dbraw/zinc/35/68/20/630356820.db2.gz UBOBNSKSGVRSBP-QGZVFWFLSA-N 1 0 324.415 3.326 20 10 DGCDRO CCn1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)n1 ZINC000840839989 630365365 /nfs/dbraw/zinc/36/53/65/630365365.db2.gz CMMGCJVVSXRSEP-SNVBAGLBSA-N 1 0 324.222 3.222 20 10 DGCDRO Cc1cc(O)c(CNc2cc(C[NH+](C)C)ccn2)c(Cl)c1 ZINC000840881116 630371805 /nfs/dbraw/zinc/37/18/05/630371805.db2.gz XLCZDLYCRDNEQU-UHFFFAOYSA-N 1 0 305.809 3.423 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000840893872 630373964 /nfs/dbraw/zinc/37/39/64/630373964.db2.gz NNWVPLKOMUJRQN-FTRWYGJKSA-N 1 0 315.505 3.064 20 10 DGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840895339 630374570 /nfs/dbraw/zinc/37/45/70/630374570.db2.gz XEUKTUVSURVOHA-HUUCEWRRSA-N 1 0 314.477 3.385 20 10 DGCDRO Cc1occc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000840907230 630375834 /nfs/dbraw/zinc/37/58/34/630375834.db2.gz AXAZAINTIAUHEN-QGZVFWFLSA-N 1 0 301.386 3.475 20 10 DGCDRO COCCCOC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840918517 630378122 /nfs/dbraw/zinc/37/81/22/630378122.db2.gz UUYCBCRIDHYJAJ-UHFFFAOYSA-N 1 0 320.477 3.079 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000840920817 630379033 /nfs/dbraw/zinc/37/90/33/630379033.db2.gz JYWIZTZWFKFXNW-ZWKOTPCHSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCOCC(F)(F)F ZINC000840929054 630379344 /nfs/dbraw/zinc/37/93/44/630379344.db2.gz MOOYLXCGHJPWQC-UHFFFAOYSA-N 1 0 304.356 3.120 20 10 DGCDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935128 630380709 /nfs/dbraw/zinc/38/07/09/630380709.db2.gz GBTPENMMBPLLRI-CQSZACIVSA-N 1 0 314.477 3.132 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCSCC(F)(F)F ZINC000840936601 630380737 /nfs/dbraw/zinc/38/07/37/630380737.db2.gz MFCMYIPTZRKXAM-UHFFFAOYSA-N 1 0 306.397 3.446 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000840934543 630380886 /nfs/dbraw/zinc/38/08/86/630380886.db2.gz SAAPRDFPPCPGFK-SFHVURJKSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)CCc2ccccc2)c(Cl)c1 ZINC000840939734 630381516 /nfs/dbraw/zinc/38/15/16/630381516.db2.gz PBXYQIHYILCZIF-HNNXBMFYSA-N 1 0 319.832 3.437 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CCO)Cc2ccccc2)c(Cl)c1 ZINC000840942386 630381987 /nfs/dbraw/zinc/38/19/87/630381987.db2.gz FTDMGESRERMGQQ-HNNXBMFYSA-N 1 0 319.832 3.437 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000840948256 630382505 /nfs/dbraw/zinc/38/25/05/630382505.db2.gz SEVNFSZYLPQLDU-QGZVFWFLSA-N 1 0 318.852 3.358 20 10 DGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)o1 ZINC000840949305 630383420 /nfs/dbraw/zinc/38/34/20/630383420.db2.gz UQZOPXTYNSMDHH-UHFFFAOYSA-N 1 0 323.776 3.414 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c(O)c1 ZINC000840955986 630384121 /nfs/dbraw/zinc/38/41/21/630384121.db2.gz FSUUFCCIDWKNHR-MJGOQNOKSA-N 1 0 313.397 3.193 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000840956129 630385412 /nfs/dbraw/zinc/38/54/12/630385412.db2.gz DDPXPRVMJYXPHP-WMZOPIPTSA-N 1 0 313.397 3.099 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1 ZINC000840956080 630385476 /nfs/dbraw/zinc/38/54/76/630385476.db2.gz JVYNONYGDQUYOK-MJGOQNOKSA-N 1 0 313.397 3.193 20 10 DGCDRO CC[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)CC(F)(F)F ZINC000840960644 630386628 /nfs/dbraw/zinc/38/66/28/630386628.db2.gz RKDVMAGOXTUOOF-JTQLQIEISA-N 1 0 321.339 3.478 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1O ZINC000840964697 630387579 /nfs/dbraw/zinc/38/75/79/630387579.db2.gz ZPLIMLPTZDSKLG-CQSZACIVSA-N 1 0 323.795 3.359 20 10 DGCDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000841033779 630399310 /nfs/dbraw/zinc/39/93/10/630399310.db2.gz BBJPMCOXNZXTRK-CQSZACIVSA-N 1 0 314.429 3.049 20 10 DGCDRO Oc1ccc(Cl)c(F)c1CN1CC[NH2+]Cc2ccccc21 ZINC000841035497 630399952 /nfs/dbraw/zinc/39/99/52/630399952.db2.gz HMCUKBPMSDGIBH-UHFFFAOYSA-N 1 0 306.768 3.295 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000841037181 630399961 /nfs/dbraw/zinc/39/99/61/630399961.db2.gz YYBGEDFZLWCHNS-UTKZUKDTSA-N 1 0 323.484 3.454 20 10 DGCDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000841035397 630399985 /nfs/dbraw/zinc/39/99/85/630399985.db2.gz NJLRZCJROLLYIZ-JXFKEZNVSA-N 1 0 309.457 3.236 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CN)C2CCCCC2)c1O ZINC000841039252 630400456 /nfs/dbraw/zinc/40/04/56/630400456.db2.gz HDUDMZCUYDKKSB-CQSZACIVSA-N 1 0 312.841 3.051 20 10 DGCDRO CN(c1ccccc1CNc1ccc(N)cc1)C1CC[NH+](C)CC1 ZINC000841039965 630400512 /nfs/dbraw/zinc/40/05/12/630400512.db2.gz FQFCDVIXVRFZOY-UHFFFAOYSA-N 1 0 324.472 3.411 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(Cl)c(F)c2)cc1 ZINC000841041165 630400632 /nfs/dbraw/zinc/40/06/32/630400632.db2.gz BCTXTWDRQNBJFZ-KRWDZBQOSA-N 1 0 321.827 3.335 20 10 DGCDRO C[C@H](Cc1ccccc1F)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044067 630401163 /nfs/dbraw/zinc/40/11/63/630401163.db2.gz USOXDEZPXIABLY-KUHUBIRLSA-N 1 0 315.436 3.112 20 10 DGCDRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044980 630401208 /nfs/dbraw/zinc/40/12/08/630401208.db2.gz HEKMDTAZKHJNJD-BXUZGUMPSA-N 1 0 303.372 3.073 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc3cnccc32)cc1 ZINC000841046098 630401786 /nfs/dbraw/zinc/40/17/86/630401786.db2.gz WBUCGOCXYRKEGI-HXUWFJFHSA-N 1 0 320.440 3.090 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(CN[C@H]2CC[NH2+]C2)cc1 ZINC000841045329 630401824 /nfs/dbraw/zinc/40/18/24/630401824.db2.gz TVCINUKAZMBEEW-IBGZPJMESA-N 1 0 309.457 3.165 20 10 DGCDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046148 630401828 /nfs/dbraw/zinc/40/18/28/630401828.db2.gz WZKXDEPBCVRUFZ-QUCCMNQESA-N 1 0 311.473 3.363 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cncc3ccccc32)cc1 ZINC000841045686 630401833 /nfs/dbraw/zinc/40/18/33/630401833.db2.gz OFXJBHXSPFSDDZ-HXUWFJFHSA-N 1 0 320.440 3.090 20 10 DGCDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046147 630401941 /nfs/dbraw/zinc/40/19/41/630401941.db2.gz WZKXDEPBCVRUFZ-ICSRJNTNSA-N 1 0 311.473 3.363 20 10 DGCDRO CC[NH2+][C@H](C)CNCc1ccc(OCc2ccccc2)cc1O ZINC000841065000 630403532 /nfs/dbraw/zinc/40/35/32/630403532.db2.gz FUAMKXCGTRBSNK-OAHLLOKOSA-N 1 0 314.429 3.059 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841067313 630403890 /nfs/dbraw/zinc/40/38/90/630403890.db2.gz ASPKLALQUFOQGF-INIZCTEOSA-N 1 0 302.805 3.022 20 10 DGCDRO CN(C)c1ccc(CN[C@@H]2CC[NH2+]C2(C)C)c(C(F)(F)F)c1 ZINC000841085424 630405978 /nfs/dbraw/zinc/40/59/78/630405978.db2.gz BXKDKZNWXLVABX-CQSZACIVSA-N 1 0 315.383 3.002 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cccc3c2CCCN3)c(O)c1 ZINC000841083449 630406311 /nfs/dbraw/zinc/40/63/11/630406311.db2.gz PNXSUPXYEHXBNC-UHFFFAOYSA-N 1 0 312.413 3.439 20 10 DGCDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841298323 630424574 /nfs/dbraw/zinc/42/45/74/630424574.db2.gz ADTBJRFFWLMIBO-IUODEOHRSA-N 1 0 316.405 3.113 20 10 DGCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841688448 630454574 /nfs/dbraw/zinc/45/45/74/630454574.db2.gz HPDMIKCACOBFDI-ZOBUZTSGSA-N 1 0 319.445 3.465 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841746552 630461656 /nfs/dbraw/zinc/46/16/56/630461656.db2.gz HTTBRQAZQWDNMV-IUODEOHRSA-N 1 0 305.805 3.300 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000841760361 630462737 /nfs/dbraw/zinc/46/27/37/630462737.db2.gz UPAJBVRBWQROKJ-UDZFHETQSA-N 1 0 314.223 3.027 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)c1O ZINC000841761738 630463318 /nfs/dbraw/zinc/46/33/18/630463318.db2.gz KLNYNFXAJKXEAT-ZYHUDNBSSA-N 1 0 318.795 3.344 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)c2c1c(F)ccc2O ZINC000841765369 630463761 /nfs/dbraw/zinc/46/37/61/630463761.db2.gz RCBXEVXYDDIVRJ-FOGDFJRCSA-N 1 0 314.351 3.009 20 10 DGCDRO COC1(C(F)(F)F)CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000841888703 630473063 /nfs/dbraw/zinc/47/30/63/630473063.db2.gz NUQRUZLAMNWLEP-UHFFFAOYSA-N 1 0 303.324 3.244 20 10 DGCDRO CO[C@H](CC(C)C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000842149179 630498842 /nfs/dbraw/zinc/49/88/42/630498842.db2.gz YDENECILUBGHHU-LJQANCHMSA-N 1 0 320.477 3.016 20 10 DGCDRO CC(C)[C@@H](O)C1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000842207635 630505870 /nfs/dbraw/zinc/50/58/70/630505870.db2.gz OOHVKDZCGYKJDY-OOFWQKGWSA-N 1 0 302.462 3.153 20 10 DGCDRO CCOc1ccc(N(C)C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000842472583 630539632 /nfs/dbraw/zinc/53/96/32/630539632.db2.gz FTNAGAAFQMUWDS-INIZCTEOSA-N 1 0 314.429 3.273 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1O ZINC000842629115 630556353 /nfs/dbraw/zinc/55/63/53/630556353.db2.gz ZANPKHQKGUWZRC-LJQANCHMSA-N 1 0 315.413 3.049 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](CCO)c2ccccc2F)c(O)c1 ZINC000842763581 630573465 /nfs/dbraw/zinc/57/34/65/630573465.db2.gz OGCYVDSTVCNGLL-KRWDZBQOSA-N 1 0 319.376 3.143 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O ZINC000842885354 630589676 /nfs/dbraw/zinc/58/96/76/630589676.db2.gz NWLQGBUAEZTDAE-MFKMUULPSA-N 1 0 310.825 3.096 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c2c1c(F)ccc2O ZINC000842885796 630589741 /nfs/dbraw/zinc/58/97/41/630589741.db2.gz PIFZSSQSHLQTEG-RTXFEEFZSA-N 1 0 320.408 3.069 20 10 DGCDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1F)c1cc(F)ccc1O ZINC000842922352 630593594 /nfs/dbraw/zinc/59/35/94/630593594.db2.gz BNFVLKKGPBWXOO-MEDUHNTESA-N 1 0 307.340 3.445 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843044013 630607542 /nfs/dbraw/zinc/60/75/42/630607542.db2.gz FYGKEOANWVZRNV-YXGQRWQYSA-N 1 0 313.489 3.230 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000843048123 630608426 /nfs/dbraw/zinc/60/84/26/630608426.db2.gz OAFVERRODSYCKB-SLVIYJBESA-N 1 0 313.489 3.372 20 10 DGCDRO Oc1ccc(F)cc1CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000843053290 630608728 /nfs/dbraw/zinc/60/87/28/630608728.db2.gz TXVPZLJMMLMIQF-SFHVURJKSA-N 1 0 314.404 3.286 20 10 DGCDRO C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)[C@H]1C[NH3+] ZINC000843052242 630608961 /nfs/dbraw/zinc/60/89/61/630608961.db2.gz QOWSZDOVTZQUCQ-APWZRJJASA-N 1 0 301.478 3.236 20 10 DGCDRO [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000843107220 630614581 /nfs/dbraw/zinc/61/45/81/630614581.db2.gz CLUGJUBDFNVPNB-UHFFFAOYSA-N 1 0 304.821 3.397 20 10 DGCDRO [NH3+][C@@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000843344800 630648193 /nfs/dbraw/zinc/64/81/93/630648193.db2.gz YGECYUVXNGBOOK-CQSZACIVSA-N 1 0 323.400 3.074 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000843417081 630654301 /nfs/dbraw/zinc/65/43/01/630654301.db2.gz OWYDAMCQMQWXSM-WBVHZDCISA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000843417991 630654367 /nfs/dbraw/zinc/65/43/67/630654367.db2.gz YJFYDSZGKYXYKD-HKUYNNGSSA-N 1 0 302.462 3.452 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1(CO)CC=CC1 ZINC000843432887 630658019 /nfs/dbraw/zinc/65/80/19/630658019.db2.gz MAULVDDEDWBVOW-INIZCTEOSA-N 1 0 309.837 3.489 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCS[C@H]2C)c1O ZINC000843435200 630658741 /nfs/dbraw/zinc/65/87/41/630658741.db2.gz RBFWGAAXZDVSPV-JOYOIKCWSA-N 1 0 316.264 3.447 20 10 DGCDRO CCOc1ccc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c(O)c1 ZINC000843435918 630658966 /nfs/dbraw/zinc/65/89/66/630658966.db2.gz ZQWYVIHWQJUWJK-AWEZNQCLSA-N 1 0 305.418 3.324 20 10 DGCDRO C[C@@H](C[NH3+])C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843487350 630662621 /nfs/dbraw/zinc/66/26/21/630662621.db2.gz DLUZQVODOMNEBJ-GJZGRUSLSA-N 1 0 312.413 3.077 20 10 DGCDRO C[NH2+]Cc1ccccc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000844905461 630972751 /nfs/dbraw/zinc/97/27/51/630972751.db2.gz ZVSBXGHPOHZMMJ-UHFFFAOYSA-N 1 0 308.784 3.194 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CNc3ccccc3C2)c1O ZINC000844907378 630975480 /nfs/dbraw/zinc/97/54/80/630975480.db2.gz IYABFLNZWLWOMH-OAHLLOKOSA-N 1 0 302.805 3.480 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(Cl)c2F)c1 ZINC000845971173 631204191 /nfs/dbraw/zinc/20/41/91/631204191.db2.gz HSSKRKUDSLHQBQ-VIFPVBQESA-N 1 0 310.756 3.439 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c(O)c1 ZINC000845972648 631204439 /nfs/dbraw/zinc/20/44/39/631204439.db2.gz QQLABBUKOAWUQY-GFCCVEGCSA-N 1 0 317.385 3.356 20 10 DGCDRO COc1ccc(F)c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000845973283 631204450 /nfs/dbraw/zinc/20/44/50/631204450.db2.gz YEYXSJISHZMNAY-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccccc1O ZINC000846012377 631206023 /nfs/dbraw/zinc/20/60/23/631206023.db2.gz YXGTUBBNQRGTIN-UYAOXDASSA-N 1 0 311.425 3.309 20 10 DGCDRO OC[C@]1(C[NH2+]Cc2c(O)cccc2Cl)CCc2ccccc21 ZINC000846011949 631206041 /nfs/dbraw/zinc/20/60/41/631206041.db2.gz RCRBECWSSAXFPO-GOSISDBHSA-N 1 0 317.816 3.012 20 10 DGCDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000846016807 631206214 /nfs/dbraw/zinc/20/62/14/631206214.db2.gz JTCOTISKRLTAQO-ZWNOBZJWSA-N 1 0 316.239 3.041 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@](C)(O)c1ccccc1 ZINC000846039714 631207499 /nfs/dbraw/zinc/20/74/99/631207499.db2.gz REIIPMROSBTYCO-SJCJKPOMSA-N 1 0 305.805 3.431 20 10 DGCDRO C[C@@H](COCC1CC1)[NH2+]Cc1cc(Br)ccc1O ZINC000846072822 631209199 /nfs/dbraw/zinc/20/91/99/631209199.db2.gz IHKCZSFBTUYJHA-JTQLQIEISA-N 1 0 314.223 3.059 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)COCC3CC3)CC2)cc1 ZINC000846072317 631209227 /nfs/dbraw/zinc/20/92/27/631209227.db2.gz FRTCGMDMIMEZDW-OAHLLOKOSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1O ZINC000846142432 631211683 /nfs/dbraw/zinc/21/16/83/631211683.db2.gz TWARYYXRBYMPFK-VHSXEESVSA-N 1 0 307.312 3.019 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccc(C)o1 ZINC000846145586 631212047 /nfs/dbraw/zinc/21/20/47/631212047.db2.gz LSIDBYYFJDMXRN-TZMCWYRMSA-N 1 0 305.374 3.341 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1O ZINC000846148127 631212059 /nfs/dbraw/zinc/21/20/59/631212059.db2.gz XHALAJNVELPPOR-GFCCVEGCSA-N 1 0 316.357 3.202 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)c2ccccc2C)c1O ZINC000846148890 631212280 /nfs/dbraw/zinc/21/22/80/631212280.db2.gz UGNNKHWVRUXGLW-CZUORRHYSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(Cl)nc2)c1O ZINC000846151350 631212354 /nfs/dbraw/zinc/21/23/54/631212354.db2.gz WVVBTJRTZOQGQT-NSHDSACASA-N 1 0 306.793 3.343 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000846155099 631212566 /nfs/dbraw/zinc/21/25/66/631212566.db2.gz DQOZCCGRYYLTMZ-AHIWAGSCSA-N 1 0 323.458 3.106 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c1O ZINC000846157688 631212769 /nfs/dbraw/zinc/21/27/69/631212769.db2.gz OMKDBLXAOQGEMB-SUMWQHHRSA-N 1 0 312.413 3.238 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccncc2OC)c1O ZINC000846164102 631212960 /nfs/dbraw/zinc/21/29/60/631212960.db2.gz MQAOFTAQKAMFFG-NEPJUHHUSA-N 1 0 302.374 3.216 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)c1O ZINC000846165036 631213097 /nfs/dbraw/zinc/21/30/97/631213097.db2.gz KMHVMJGNBXMZJJ-SCLBCKFNSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1O ZINC000846169511 631213163 /nfs/dbraw/zinc/21/31/63/631213163.db2.gz RJIPBLPXVPVXSM-MOFZMDFASA-N 1 0 313.397 3.364 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c1O ZINC000846168720 631213363 /nfs/dbraw/zinc/21/33/63/631213363.db2.gz UNGZDLTVMRQDOV-XJKSGUPXSA-N 1 0 305.418 3.401 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(F)cnc2Cl)c1O ZINC000846168706 631213375 /nfs/dbraw/zinc/21/33/75/631213375.db2.gz CTEHIQOZGTUTNW-SECBINFHSA-N 1 0 310.756 3.439 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846170959 631213565 /nfs/dbraw/zinc/21/35/65/631213565.db2.gz NPIKYIJHPVXYCA-CXAGYDPISA-N 1 0 315.413 3.347 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(N2CCCCCC2)cc1 ZINC000846207982 631214884 /nfs/dbraw/zinc/21/48/84/631214884.db2.gz DIJNNGDRLVECFA-NVXWUHKLSA-N 1 0 308.441 3.438 20 10 DGCDRO O=C(NCc1cc(Cl)ccc1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000846475234 631250493 /nfs/dbraw/zinc/25/04/93/631250493.db2.gz DRKGAQJLPPAOQJ-OAHLLOKOSA-N 1 0 322.836 3.069 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(C3CC3)c2)cc1 ZINC000848395125 631653579 /nfs/dbraw/zinc/65/35/79/631653579.db2.gz YPHZJTOOAVESHP-IBGZPJMESA-N 1 0 323.440 3.060 20 10 DGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CS1 ZINC000848520727 631675277 /nfs/dbraw/zinc/67/52/77/631675277.db2.gz JZFNYUCOIDWCKW-ZFWWWQNUSA-N 1 0 324.465 3.036 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000848554339 631690445 /nfs/dbraw/zinc/69/04/45/631690445.db2.gz YROQALIMEGJDPL-MAUKXSAKSA-N 1 0 312.461 3.313 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c1O ZINC000848559251 631692745 /nfs/dbraw/zinc/69/27/45/631692745.db2.gz QYGAIKDQVFJDFS-XGWLTEMNSA-N 1 0 305.418 3.399 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c1O ZINC000848559252 631693181 /nfs/dbraw/zinc/69/31/81/631693181.db2.gz QYGAIKDQVFJDFS-YLQAJVPDSA-N 1 0 305.418 3.399 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000848568144 631695997 /nfs/dbraw/zinc/69/59/97/631695997.db2.gz ZKEATWMGWUGNCX-XHHZUUQWSA-N 1 0 308.425 3.014 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000848574128 631700405 /nfs/dbraw/zinc/70/04/05/631700405.db2.gz AAJHLSQTOZKVGQ-JZOYJOIISA-N 1 0 313.489 3.372 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1O ZINC000848882737 631769505 /nfs/dbraw/zinc/76/95/05/631769505.db2.gz ZQPIFTWLVZQSSF-UHFFFAOYSA-N 1 0 318.461 3.033 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2c(C)cc(C)nc2OC)c1O ZINC000848896303 631776466 /nfs/dbraw/zinc/77/64/66/631776466.db2.gz YFRPSQMTWQAPDJ-UHFFFAOYSA-N 1 0 300.402 3.265 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c1O ZINC000848897412 631777328 /nfs/dbraw/zinc/77/73/28/631777328.db2.gz IJTUCKBOWOBTFV-GFCCVEGCSA-N 1 0 301.434 3.026 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1O ZINC000848898606 631778872 /nfs/dbraw/zinc/77/88/72/631778872.db2.gz FLDRIXRGRKSTJO-CGTJXYLNSA-N 1 0 301.430 3.392 20 10 DGCDRO CCCNC(=O)C1([NH2+]Cc2cccc(CC)c2O)CCCCC1 ZINC000848903165 631780716 /nfs/dbraw/zinc/78/07/16/631780716.db2.gz NZLZGBMRQHTGGH-UHFFFAOYSA-N 1 0 318.461 3.273 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000848920066 631787586 /nfs/dbraw/zinc/78/75/86/631787586.db2.gz WSOFSLPQOUEKCD-SJKOYZFVSA-N 1 0 303.377 3.305 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000848921460 631789011 /nfs/dbraw/zinc/78/90/11/631789011.db2.gz BJVZOHJUKUUZBF-RBUKOAKNSA-N 1 0 302.462 3.498 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000848925643 631789999 /nfs/dbraw/zinc/78/99/99/631789999.db2.gz ASULSJHWFRUPJJ-HNNXBMFYSA-N 1 0 323.433 3.104 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000848925621 631790094 /nfs/dbraw/zinc/79/00/94/631790094.db2.gz ZGYMMSZUCKPCCA-KRWDZBQOSA-N 1 0 305.418 3.324 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCCCO1 ZINC000848928016 631792683 /nfs/dbraw/zinc/79/26/83/631792683.db2.gz UETBHCFYEKCMMF-KGLIPLIRSA-N 1 0 313.825 3.492 20 10 DGCDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])NC1CCCCCC1 ZINC000849075259 631827892 /nfs/dbraw/zinc/82/78/92/631827892.db2.gz LLVUZWISCJJVMS-UHFFFAOYSA-N 1 0 302.466 3.398 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849349518 631900515 /nfs/dbraw/zinc/90/05/15/631900515.db2.gz BXWCWOJCZJTBBL-AWEZNQCLSA-N 1 0 308.853 3.257 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc4c3NCC4)C2)cc1 ZINC000849350704 631901905 /nfs/dbraw/zinc/90/19/05/631901905.db2.gz SECJTGHJAXBDSJ-QGZVFWFLSA-N 1 0 323.440 3.032 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2CCCCO2)c(O)c(C(C)(C)C)c1 ZINC000850077720 632050357 /nfs/dbraw/zinc/05/03/57/632050357.db2.gz PYFLAQXFUXCGTK-CQSZACIVSA-N 1 0 307.434 3.357 20 10 DGCDRO CCC[C@@](C)(CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850139423 632064976 /nfs/dbraw/zinc/06/49/76/632064976.db2.gz OPWIUDFUOATDQU-SFHVURJKSA-N 1 0 309.450 3.339 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)c2cn[nH]c2)c(O)c(C(C)(C)C)c1 ZINC000850226602 632086221 /nfs/dbraw/zinc/08/62/21/632086221.db2.gz QVJHUHNBXSRGRX-NSHDSACASA-N 1 0 303.406 3.272 20 10 DGCDRO COc1cc(C[NH2+][C@@]2(C)CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850235650 632089621 /nfs/dbraw/zinc/08/96/21/632089621.db2.gz AUWWLHGADURESS-SFHVURJKSA-N 1 0 307.434 3.357 20 10 DGCDRO COc1cc(C[NH2+][C@@H](CO)CC2CCC2)c(O)c(C(C)(C)C)c1 ZINC000850281350 632102546 /nfs/dbraw/zinc/10/25/46/632102546.db2.gz IYPAGZWCHSWJRN-OAHLLOKOSA-N 1 0 321.461 3.339 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCc2noc3ccccc23)cc1F ZINC000850343585 632119150 /nfs/dbraw/zinc/11/91/50/632119150.db2.gz WKMJAMLADBONOQ-UHFFFAOYSA-N 1 0 313.376 3.365 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000850346284 632120284 /nfs/dbraw/zinc/12/02/84/632120284.db2.gz RQMQNLJSZSLMDV-INIZCTEOSA-N 1 0 312.413 3.072 20 10 DGCDRO CC[C@@H]1C[C@@H](C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000850347330 632121035 /nfs/dbraw/zinc/12/10/35/632121035.db2.gz QILLTNOCTFANHT-XYJFISCASA-N 1 0 318.461 3.069 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1 ZINC000850354956 632123534 /nfs/dbraw/zinc/12/35/34/632123534.db2.gz DVZCHFPCOJCGSH-QAGUDHLNSA-N 1 0 320.502 3.045 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1F ZINC000850372650 632130361 /nfs/dbraw/zinc/13/03/61/632130361.db2.gz XBUJPBXSRKYKAE-SJLPKXTDSA-N 1 0 300.377 3.160 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2COc3cc(F)ccc3C2)cc1C ZINC000850381921 632133879 /nfs/dbraw/zinc/13/38/79/632133879.db2.gz LERLOVPRQMJRAX-MRXNPFEDSA-N 1 0 301.361 3.241 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c(O)c1 ZINC000850381452 632134091 /nfs/dbraw/zinc/13/40/91/632134091.db2.gz FRENQPSHKAVLLX-INIZCTEOSA-N 1 0 318.461 3.288 20 10 DGCDRO COc1cc(C[NH2+]CC2CCC(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850394927 632137844 /nfs/dbraw/zinc/13/78/44/632137844.db2.gz IUIPBCACRYMZHT-UHFFFAOYSA-N 1 0 321.461 3.339 20 10 DGCDRO CNC(=O)CC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCCC1 ZINC000850399533 632139979 /nfs/dbraw/zinc/13/99/79/632139979.db2.gz MHYUSXJEEAKFSB-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)CC1 ZINC000850405636 632142254 /nfs/dbraw/zinc/14/22/54/632142254.db2.gz XKCOBBLZFKYOMT-MRXNPFEDSA-N 1 0 300.446 3.094 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C/C=C\c3ccccc3)cc2)CC1 ZINC000850405851 632142437 /nfs/dbraw/zinc/14/24/37/632142437.db2.gz HMLWZNLAJMKEDI-DAXSKMNVSA-N 1 0 322.452 3.451 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)cc1C ZINC000850417194 632146110 /nfs/dbraw/zinc/14/61/10/632146110.db2.gz PBBWFWQHRMJSCX-CQSZACIVSA-N 1 0 322.449 3.354 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c1O ZINC000850421132 632147582 /nfs/dbraw/zinc/14/75/82/632147582.db2.gz VWLXHRJKXVCUQT-CXAGYDPISA-N 1 0 301.386 3.003 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C3CC3)C3CCC3)C2)cc1 ZINC000850485950 632167981 /nfs/dbraw/zinc/16/79/81/632167981.db2.gz DKXLPXHQKIKRST-APWZRJJASA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)Cc3ccoc3)C2)cc1 ZINC000850486479 632167984 /nfs/dbraw/zinc/16/79/84/632167984.db2.gz HRLIMUHUDFUBTM-HOCLYGCPSA-N 1 0 300.402 3.088 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CC3(OC)CCC3)C2)cc1 ZINC000850489910 632169134 /nfs/dbraw/zinc/16/91/34/632169134.db2.gz XXIAQRVYUOXIKQ-CVEARBPZSA-N 1 0 318.461 3.211 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C1CCOCC1 ZINC000850493363 632170659 /nfs/dbraw/zinc/17/06/59/632170659.db2.gz GKIHZMSKHAWZAZ-NHYWBVRUSA-N 1 0 313.825 3.138 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)c2c1c(F)ccc2O ZINC000850521245 632178033 /nfs/dbraw/zinc/17/80/33/632178033.db2.gz RZPLKHXSAKPTGX-HLUHBDAQSA-N 1 0 301.308 3.093 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c1O ZINC000850520871 632178337 /nfs/dbraw/zinc/17/83/37/632178337.db2.gz HWRGGOMVHRMPGK-JOYOIKCWSA-N 1 0 305.752 3.429 20 10 DGCDRO Cc1cncc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000850549450 632189004 /nfs/dbraw/zinc/18/90/04/632189004.db2.gz GSKMGXYLLKVWSZ-HZMBPMFUSA-N 1 0 301.365 3.010 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O ZINC000850555415 632192095 /nfs/dbraw/zinc/19/20/95/632192095.db2.gz IFDJQNHWLGJIII-DZGCQCFKSA-N 1 0 304.434 3.080 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O ZINC000850557943 632192617 /nfs/dbraw/zinc/19/26/17/632192617.db2.gz ORZLOYSSXWENSJ-GOEBONIOSA-N 1 0 318.461 3.388 20 10 DGCDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567969 632196432 /nfs/dbraw/zinc/19/64/32/632196432.db2.gz MXIUSVJEZKAUJF-RTBURBONSA-N 1 0 302.462 3.172 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c(O)c1C ZINC000850573435 632198106 /nfs/dbraw/zinc/19/81/06/632198106.db2.gz LXKKJHOJZRPDSO-HNNXBMFYSA-N 1 0 318.461 3.486 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1nccn1C ZINC000850572460 632198442 /nfs/dbraw/zinc/19/84/42/632198442.db2.gz KFZZCHFKEOTSRI-VHSXEESVSA-N 1 0 324.222 3.300 20 10 DGCDRO NC(=O)c1cccc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000109797471 632319184 /nfs/dbraw/zinc/31/91/84/632319184.db2.gz AZGDSNSZFKWOFW-UHFFFAOYSA-N 1 0 324.424 3.436 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCO[C@@H]2CC2(F)F)C2CC2)cc1 ZINC000851732005 632476693 /nfs/dbraw/zinc/47/66/93/632476693.db2.gz GIXWGZPNZLYUKY-MRXNPFEDSA-N 1 0 310.388 3.141 20 10 DGCDRO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)nc(C)n1 ZINC000851732583 632478126 /nfs/dbraw/zinc/47/81/26/632478126.db2.gz UKUBKJHHISIBTR-UHFFFAOYSA-N 1 0 310.445 3.324 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000851792102 632493990 /nfs/dbraw/zinc/49/39/90/632493990.db2.gz KTMVVQTVYVHIRJ-HYVNUMGLSA-N 1 0 316.445 3.052 20 10 DGCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H]1CNC(=O)C1 ZINC000851879878 632513806 /nfs/dbraw/zinc/51/38/06/632513806.db2.gz QDBAUNMQBUSBRV-HZPDHXFCSA-N 1 0 324.424 3.092 20 10 DGCDRO Cc1cccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1O ZINC000184788877 660186454 /nfs/dbraw/zinc/18/64/54/660186454.db2.gz MUPLBLAIMAWTAY-IBGZPJMESA-N 1 0 311.425 3.474 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000184916551 660195061 /nfs/dbraw/zinc/19/50/61/660195061.db2.gz PURKTUOSKWWVEK-NSHDSACASA-N 1 0 302.349 3.341 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000185023991 660198532 /nfs/dbraw/zinc/19/85/32/660198532.db2.gz LTINEIPKWMNXIG-ILXRZTDVSA-N 1 0 306.450 3.172 20 10 DGCDRO CN(Cc1ccccc1)[C@@H](C[NH2+]Cc1ccccc1O)C1CC1 ZINC000185222677 660208840 /nfs/dbraw/zinc/20/88/40/660208840.db2.gz IHJJEPVIGNQVSF-IBGZPJMESA-N 1 0 310.441 3.392 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)N(C)C1CC1 ZINC000185369055 660219629 /nfs/dbraw/zinc/21/96/29/660219629.db2.gz RLJCZZGMEDDYOI-KGLIPLIRSA-N 1 0 302.462 3.404 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)CC2CCCCC2)c(O)c1 ZINC000186033230 660262101 /nfs/dbraw/zinc/26/21/01/660262101.db2.gz ULQCDTKAOUTWJA-HNNXBMFYSA-N 1 0 318.461 3.438 20 10 DGCDRO Cc1cc(C(=O)NCC2=CC[NH2+]CC2)c(C)n1-c1cccc(C)c1 ZINC000186353026 660374658 /nfs/dbraw/zinc/37/46/58/660374658.db2.gz QMAPFUQGVFAJKM-UHFFFAOYSA-N 1 0 323.440 3.052 20 10 DGCDRO Cc1cn(C)nc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000929294361 660522283 /nfs/dbraw/zinc/52/22/83/660522283.db2.gz CLPGHKWHIIOTEO-UHFFFAOYSA-N 1 0 300.450 3.205 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C3CC(OC(C)C)C3)CC2)cc1 ZINC000186552187 660536729 /nfs/dbraw/zinc/53/67/29/660536729.db2.gz CXGJPILILHOOFA-UHFFFAOYSA-N 1 0 318.461 3.210 20 10 DGCDRO CCC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)OC ZINC000701189919 660658671 /nfs/dbraw/zinc/65/86/71/660658671.db2.gz CKWUAUKETMBKGX-LBPRGKRZSA-N 1 0 302.212 3.059 20 10 DGCDRO CCC(CC)(C[NH2+]Cc1c(O)cccc1Br)OC ZINC000706833956 660874161 /nfs/dbraw/zinc/87/41/61/660874161.db2.gz MVXDLGQKVIEYIU-UHFFFAOYSA-N 1 0 316.239 3.450 20 10 DGCDRO CCC(CC)[C@@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000706830325 660874195 /nfs/dbraw/zinc/87/41/95/660874195.db2.gz PYBCLKMROBSBJL-AWEZNQCLSA-N 1 0 316.239 3.041 20 10 DGCDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC000706857906 660875183 /nfs/dbraw/zinc/87/51/83/660875183.db2.gz NUFNUYYOTSCCPJ-JTQLQIEISA-N 1 0 316.239 3.041 20 10 DGCDRO CCO[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707145816 660887129 /nfs/dbraw/zinc/88/71/29/660887129.db2.gz HPNQETCYJQMENT-NSHDSACASA-N 1 0 314.223 3.156 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000707145876 660888281 /nfs/dbraw/zinc/88/82/81/660888281.db2.gz JXXXQSSRYVBIEZ-MNOVXSKESA-N 1 0 314.223 3.154 20 10 DGCDRO CO[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000707151506 660894027 /nfs/dbraw/zinc/89/40/27/660894027.db2.gz DUCNGNLIIMODRT-NSHDSACASA-N 1 0 314.223 3.156 20 10 DGCDRO C[C@H]1COCCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792827827 660987167 /nfs/dbraw/zinc/98/71/67/660987167.db2.gz FKKDRBOKKOSEAD-LBPRGKRZSA-N 1 0 316.367 3.382 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)(C)O ZINC000792951068 660996554 /nfs/dbraw/zinc/99/65/54/660996554.db2.gz BUADILNEMQNHIT-SNVBAGLBSA-N 1 0 304.356 3.020 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)(C)O ZINC000792951067 660996567 /nfs/dbraw/zinc/99/65/67/660996567.db2.gz BUADILNEMQNHIT-JTQLQIEISA-N 1 0 304.356 3.020 20 10 DGCDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792990193 660998762 /nfs/dbraw/zinc/99/87/62/660998762.db2.gz QZIZTNDHEBBQDH-HNNXBMFYSA-N 1 0 318.383 3.268 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c(C(F)(F)F)c1 ZINC000793095095 661004679 /nfs/dbraw/zinc/00/46/79/661004679.db2.gz YJHHJBVLCKBTGO-ZIAGYGMSSA-N 1 0 316.367 3.020 20 10 DGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000793385564 661028829 /nfs/dbraw/zinc/02/88/29/661028829.db2.gz BXSJDLQJANNEGA-CYBMUJFWSA-N 1 0 301.386 3.130 20 10 DGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000793385565 661028932 /nfs/dbraw/zinc/02/89/32/661028932.db2.gz BXSJDLQJANNEGA-ZDUSSCGKSA-N 1 0 301.386 3.130 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)c(O)c1 ZINC000793386778 661029186 /nfs/dbraw/zinc/02/91/86/661029186.db2.gz ZMZMSJYFPQKNCS-UHFFFAOYSA-N 1 0 313.397 3.479 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)c(O)c1 ZINC000793390849 661029547 /nfs/dbraw/zinc/02/95/47/661029547.db2.gz SAJLTKIDPJKONN-UHFFFAOYSA-N 1 0 309.369 3.081 20 10 DGCDRO CC[N@H+](Cc1cccc(C)c1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793604485 661049265 /nfs/dbraw/zinc/04/92/65/661049265.db2.gz LJCRHMHZOBQFMM-UHFFFAOYSA-N 1 0 320.433 3.142 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCCC[C@H]1CCO ZINC000793609150 661049423 /nfs/dbraw/zinc/04/94/23/661049423.db2.gz OSHOKYTVYVLGOR-ZDUSSCGKSA-N 1 0 301.789 3.312 20 10 DGCDRO COc1cc(C)cc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1O ZINC000793778176 661056976 /nfs/dbraw/zinc/05/69/76/661056976.db2.gz BEUNDUWFNMQVLO-CQSZACIVSA-N 1 0 313.397 3.492 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc(C)cc1O ZINC000794795049 661105556 /nfs/dbraw/zinc/10/55/56/661105556.db2.gz GMSCUWMDIDYFCQ-KRWDZBQOSA-N 1 0 312.413 3.301 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc(C)cc1O ZINC000794795052 661105558 /nfs/dbraw/zinc/10/55/58/661105558.db2.gz GMSCUWMDIDYFCQ-QGZVFWFLSA-N 1 0 312.413 3.301 20 10 DGCDRO CC[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(C)cc1O ZINC000794802978 661106307 /nfs/dbraw/zinc/10/63/07/661106307.db2.gz OYJYUSDNPVXCMJ-WBVHZDCISA-N 1 0 307.434 3.185 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1O ZINC000794802338 661106370 /nfs/dbraw/zinc/10/63/70/661106370.db2.gz DZWTXDVAJCKNRY-JSGCOSHPSA-N 1 0 316.367 3.378 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cc2c(cc1O)CCCC2 ZINC000794832876 661108444 /nfs/dbraw/zinc/10/84/44/661108444.db2.gz IDGOOOXNFXXDBU-DYVFJYSZSA-N 1 0 303.446 3.473 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](C)COC)c1cc(Br)ccc1O ZINC000045656562 655626147 /nfs/dbraw/zinc/62/61/47/655626147.db2.gz CRIDQSKPJSTKRC-MFKMUULPSA-N 1 0 316.239 3.478 20 10 DGCDRO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697250 661168351 /nfs/dbraw/zinc/16/83/51/661168351.db2.gz CAJNXWKHSXNFNK-KXBFYZLASA-N 1 0 314.473 3.330 20 10 DGCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000795725823 661169817 /nfs/dbraw/zinc/16/98/17/661169817.db2.gz MRFAKUSUVRCBSM-UHFFFAOYSA-N 1 0 301.430 3.272 20 10 DGCDRO CNC(=O)C[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)c1ccccc1 ZINC000795849977 661175916 /nfs/dbraw/zinc/17/59/16/661175916.db2.gz SAUQBMALZZTGKC-PBHICJAKSA-N 1 0 312.413 3.229 20 10 DGCDRO CNC(=O)C[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000795852692 661176316 /nfs/dbraw/zinc/17/63/16/661176316.db2.gz RKCJWMSYDJJHOE-PBHICJAKSA-N 1 0 312.413 3.229 20 10 DGCDRO COCCCOCC[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000091026075 655736329 /nfs/dbraw/zinc/73/63/29/655736329.db2.gz VBPRMSLFGVSUIW-UHFFFAOYSA-N 1 0 309.450 3.309 20 10 DGCDRO C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000044534503 655773057 /nfs/dbraw/zinc/77/30/57/655773057.db2.gz CIPVCWMHIVLCSB-SNVBAGLBSA-N 1 0 303.233 3.130 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c(C(F)(F)F)c1 ZINC000280858218 655870544 /nfs/dbraw/zinc/87/05/44/655870544.db2.gz LVLFQHCLALUFGE-YUELXQCFSA-N 1 0 314.351 3.181 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(NC(N)=O)cc1 ZINC000176985397 655885797 /nfs/dbraw/zinc/88/57/97/655885797.db2.gz MPBLSABUNJLDLM-MNOVXSKESA-N 1 0 317.364 3.434 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC1(C)OCCO1 ZINC000715951574 661216250 /nfs/dbraw/zinc/21/62/50/661216250.db2.gz DYKRTXZCZBCPIQ-GJZGRUSLSA-N 1 0 306.450 3.192 20 10 DGCDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)CC1(C)OCCO1 ZINC000715951579 661216406 /nfs/dbraw/zinc/21/64/06/661216406.db2.gz DYKRTXZCZBCPIQ-HUUCEWRRSA-N 1 0 306.450 3.192 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)CN2CCCC2)c1O ZINC000308629155 656061350 /nfs/dbraw/zinc/06/13/50/656061350.db2.gz YYEIVWVAYNMFTH-UHFFFAOYSA-N 1 0 312.841 3.018 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc3c(c2)CCO3)c1 ZINC000182413744 656105688 /nfs/dbraw/zinc/10/56/88/656105688.db2.gz KWUDXKIQRPMKSN-ZDUSSCGKSA-N 1 0 313.397 3.229 20 10 DGCDRO CC1(C)CC[C@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)O1 ZINC000184669550 656120675 /nfs/dbraw/zinc/12/06/75/656120675.db2.gz JSVVYAQRKGQHRZ-DLBZAZTESA-N 1 0 319.445 3.331 20 10 DGCDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000309833381 656121539 /nfs/dbraw/zinc/12/15/39/656121539.db2.gz ZGELALSJBOGAGG-KWQFWETISA-N 1 0 302.237 3.138 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cc(F)ccc1O ZINC000185452098 656126429 /nfs/dbraw/zinc/12/64/29/656126429.db2.gz UNPAUHYCPHGGBX-GFCCVEGCSA-N 1 0 301.361 3.360 20 10 DGCDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185530406 656127208 /nfs/dbraw/zinc/12/72/08/656127208.db2.gz HYHNYFONJJPOPT-OCCSQVGLSA-N 1 0 305.443 3.310 20 10 DGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000195196847 656210260 /nfs/dbraw/zinc/21/02/60/656210260.db2.gz TVVPOTKUPNCRPJ-SFHVURJKSA-N 1 0 305.418 3.112 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000236732365 656305288 /nfs/dbraw/zinc/30/52/88/656305288.db2.gz PGCVHIGVSSPKSZ-HNNXBMFYSA-N 1 0 318.461 3.157 20 10 DGCDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093870951 656415632 /nfs/dbraw/zinc/41/56/32/656415632.db2.gz CAMAVNKXZJJEBI-INIZCTEOSA-N 1 0 322.518 3.487 20 10 DGCDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185511481 656432351 /nfs/dbraw/zinc/43/23/51/656432351.db2.gz XSAADLYQDJGYHD-XHBSWPGZSA-N 1 0 305.443 3.308 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccoc1 ZINC000178538644 656739416 /nfs/dbraw/zinc/73/94/16/656739416.db2.gz LOBAYMWKTTZVBX-HNNXBMFYSA-N 1 0 314.429 3.339 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccoc1 ZINC000178538654 656739924 /nfs/dbraw/zinc/73/99/24/656739924.db2.gz LOBAYMWKTTZVBX-OAHLLOKOSA-N 1 0 314.429 3.339 20 10 DGCDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)C1(C)C ZINC000236853408 656923970 /nfs/dbraw/zinc/92/39/70/656923970.db2.gz SXGIUKFTJVRVGH-DLBZAZTESA-N 1 0 307.434 3.474 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)C1(CC)CC ZINC000236891508 656961995 /nfs/dbraw/zinc/96/19/95/656961995.db2.gz SQAQWNGWIIWHPU-DLBZAZTESA-N 1 0 307.434 3.474 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2(O)CCCCC2)cc1F ZINC000236915474 656982241 /nfs/dbraw/zinc/98/22/41/656982241.db2.gz VBSXIVDFHDMUMX-UHFFFAOYSA-N 1 0 308.441 3.457 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3cccnc3C)CC2)cc1 ZINC000237262847 657444416 /nfs/dbraw/zinc/44/44/16/657444416.db2.gz GRYHERVEXZRKRU-UHFFFAOYSA-N 1 0 311.429 3.157 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000305147694 657687112 /nfs/dbraw/zinc/68/71/12/657687112.db2.gz SHEIYFMNWZIUOA-KRWDZBQOSA-N 1 0 306.425 3.065 20 10 DGCDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000305251155 657698023 /nfs/dbraw/zinc/69/80/23/657698023.db2.gz KEMMOOLRUYONFP-WFASDCNBSA-N 1 0 307.434 3.131 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCOCCC(C)C)c1O ZINC000228672614 657999715 /nfs/dbraw/zinc/99/97/15/657999715.db2.gz RJRAIBGQKZLFIA-UHFFFAOYSA-N 1 0 301.814 3.207 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC2(CO)CCCCC2)c1O ZINC000228675982 658000077 /nfs/dbraw/zinc/00/00/77/658000077.db2.gz SSZKNEIEIDMCDA-UHFFFAOYSA-N 1 0 313.825 3.087 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cccc(Cl)c2)c1 ZINC000305755135 658005900 /nfs/dbraw/zinc/00/59/00/658005900.db2.gz AJHDLRMSHYTKFB-GTNSWQLSSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)c(F)c2)c1 ZINC000305775247 658041690 /nfs/dbraw/zinc/04/16/90/658041690.db2.gz NHEWZKNAFXFIJT-QGHHPUGFSA-N 1 0 323.339 3.063 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)c1 ZINC000305775245 658041919 /nfs/dbraw/zinc/04/19/19/658041919.db2.gz NHEWZKNAFXFIJT-DYZYQPBXSA-N 1 0 323.339 3.063 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccccc2-n2cccn2)cc1C ZINC000321207476 658097315 /nfs/dbraw/zinc/09/73/15/658097315.db2.gz YUXNKSMBTYXZJA-UHFFFAOYSA-N 1 0 307.397 3.479 20 10 DGCDRO CCOC(=O)C1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000321316746 658147964 /nfs/dbraw/zinc/14/79/64/658147964.db2.gz PVLRRIHJYRVZIM-HSBZDZAISA-N 1 0 321.417 3.173 20 10 DGCDRO Cc1cc(C(=O)NC[C@@H](C)C[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000237382965 658381682 /nfs/dbraw/zinc/38/16/82/658381682.db2.gz KOVZFWHHTVJVGM-NSHDSACASA-N 1 0 319.836 3.072 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)cc1 ZINC000163477594 658414009 /nfs/dbraw/zinc/41/40/09/658414009.db2.gz LTIZXBIIUSPFLT-LPHOPBHVSA-N 1 0 320.477 3.379 20 10 DGCDRO CC[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000163500152 658468562 /nfs/dbraw/zinc/46/85/62/658468562.db2.gz NQXQEAPVISPTDF-MOPGFXCFSA-N 1 0 320.477 3.379 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000163933015 658909148 /nfs/dbraw/zinc/90/91/48/658909148.db2.gz PPVKJIIAZHXYJZ-UHFFFAOYSA-N 1 0 305.418 3.174 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H](C)[C@@H]3C)c2c1 ZINC000164144671 658919497 /nfs/dbraw/zinc/91/94/97/658919497.db2.gz UEPZTZFAPDKDGX-QWHCGFSZSA-N 1 0 301.386 3.163 20 10 DGCDRO C[C@@H]([NH2+]CC1(CO)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000157359503 659052061 /nfs/dbraw/zinc/05/20/61/659052061.db2.gz YVUVLTYFEOKRKG-MRXNPFEDSA-N 1 0 302.462 3.490 20 10 DGCDRO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C(C)=O)cc1C ZINC001039252438 659055935 /nfs/dbraw/zinc/05/59/35/659055935.db2.gz GEJGKVXNTNXUGC-AYHJJNSGSA-N 1 0 316.445 3.025 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C ZINC000227713276 659160986 /nfs/dbraw/zinc/16/09/86/659160986.db2.gz XOFWIHNKINANSY-HNNXBMFYSA-N 1 0 320.433 3.014 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCS2)c1O ZINC000228677825 659202946 /nfs/dbraw/zinc/20/29/46/659202946.db2.gz FXTVVIYKBGMGTK-LBPRGKRZSA-N 1 0 301.839 3.430 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)cc1C(C)C ZINC000170728622 659231531 /nfs/dbraw/zinc/23/15/31/659231531.db2.gz GZRZQQRYIJHYFE-OAHLLOKOSA-N 1 0 318.461 3.302 20 10 DGCDRO COc1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cc1OC ZINC000323907594 659242360 /nfs/dbraw/zinc/24/23/60/659242360.db2.gz RQVRRRBZWXWJOI-OAHLLOKOSA-N 1 0 313.397 3.229 20 10 DGCDRO C[N@H+](Cc1ccccc1O)Cc1cc(F)cc2c1OCOC2 ZINC000171925886 659306364 /nfs/dbraw/zinc/30/63/64/659306364.db2.gz LYUNERYIZXZZTR-UHFFFAOYSA-N 1 0 303.333 3.030 20 10 DGCDRO C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)c1ccccc1O ZINC000230406510 659327781 /nfs/dbraw/zinc/32/77/81/659327781.db2.gz UMUYRNWFKBRHOZ-CYBMUJFWSA-N 1 0 320.433 3.490 20 10 DGCDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000173484330 659389510 /nfs/dbraw/zinc/38/95/10/659389510.db2.gz WTDHKUBPKPHWRN-OLZOCXBDSA-N 1 0 309.431 3.227 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C(C)C)C2)cc1C ZINC000994771848 659924999 /nfs/dbraw/zinc/92/49/99/659924999.db2.gz RFYUKKGYBOEAOL-SJORKVTESA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(CCC[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000179797332 659942212 /nfs/dbraw/zinc/94/22/12/659942212.db2.gz BPLSYSIVRHRBGL-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO CCC[N@H+](CC(=O)N(CC(C)C)C1CC1)Cc1ccccc1O ZINC000068973574 659971044 /nfs/dbraw/zinc/97/10/44/659971044.db2.gz ZJCBBWQHNKXNHJ-UHFFFAOYSA-N 1 0 318.461 3.251 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(N(C)C)cc1 ZINC000182134379 660035903 /nfs/dbraw/zinc/03/59/03/660035903.db2.gz IJPODYSRBKVMHX-QAPCUYQASA-N 1 0 318.461 3.479 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCCn2cc(C)cn2)c1 ZINC000182369032 660048051 /nfs/dbraw/zinc/04/80/51/660048051.db2.gz QMLRHCSSNKTSBL-OAHLLOKOSA-N 1 0 317.433 3.427 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCn2cccn2)cc1 ZINC000182557445 660063024 /nfs/dbraw/zinc/06/30/24/660063024.db2.gz FSDMLQGPQKOQML-INIZCTEOSA-N 1 0 300.450 3.298 20 10 DGCDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccccc1O ZINC000183599595 660125713 /nfs/dbraw/zinc/12/57/13/660125713.db2.gz CRVKZKAYJQVECV-ZDUSSCGKSA-N 1 0 316.376 3.002 20 10 DGCDRO C[C@H]([NH2+]CCC1(C)OCCO1)c1ccc2ccccc2c1O ZINC000183887391 660145632 /nfs/dbraw/zinc/14/56/32/660145632.db2.gz PVGOVWORCAAMGL-ZDUSSCGKSA-N 1 0 301.386 3.349 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000184063933 660154469 /nfs/dbraw/zinc/15/44/69/660154469.db2.gz SLZNDDMATAWCOZ-UHFFFAOYSA-N 1 0 316.357 3.334 20 10 DGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C)cc3)c2)CC1 ZINC000184280268 660161460 /nfs/dbraw/zinc/16/14/60/660161460.db2.gz LKSLQJOQXFYYNA-UHFFFAOYSA-N 1 0 323.440 3.389 20 10 DGCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H](C)C2CC2)c1O ZINC000158030332 661869656 /nfs/dbraw/zinc/86/96/56/661869656.db2.gz LUVKIWFGWCDTPW-VIFPVBQESA-N 1 0 314.223 3.394 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCC23CCCC3)ccc1N1CCOCC1 ZINC000189072708 661961347 /nfs/dbraw/zinc/96/13/47/661961347.db2.gz ICYLQRQOUOTNGT-GOSISDBHSA-N 1 0 318.436 3.475 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000076275557 661976612 /nfs/dbraw/zinc/97/66/12/661976612.db2.gz KAEUMCOGVFHOLE-INIZCTEOSA-N 1 0 310.441 3.499 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(Br)o2)c1O ZINC000189503806 661980192 /nfs/dbraw/zinc/98/01/92/661980192.db2.gz BYXQOEIWNWUQSR-UHFFFAOYSA-N 1 0 312.163 3.046 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1F ZINC000189979165 661999930 /nfs/dbraw/zinc/99/99/30/661999930.db2.gz PANXXCKLAATLER-WBVHZDCISA-N 1 0 308.441 3.313 20 10 DGCDRO CCOc1cccc(C[N@H+](C)CC2(O)CCCCCC2)c1O ZINC000190140261 662020709 /nfs/dbraw/zinc/02/07/09/662020709.db2.gz JASHLTNCNIOJRW-UHFFFAOYSA-N 1 0 307.434 3.308 20 10 DGCDRO C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 ZINC000190342643 662028708 /nfs/dbraw/zinc/02/87/08/662028708.db2.gz QYSDNRPZCWFSNK-HNNXBMFYSA-N 1 0 318.461 3.337 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000191606180 662074501 /nfs/dbraw/zinc/07/45/01/662074501.db2.gz JDRJLHPNSRDGQT-VQIMIIECSA-N 1 0 312.457 3.315 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)c1 ZINC000192907309 662115711 /nfs/dbraw/zinc/11/57/11/662115711.db2.gz XXCJFDVYYAQHHO-KSSFIOAISA-N 1 0 314.429 3.354 20 10 DGCDRO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)Cc1ccccc1O ZINC000245809135 662242061 /nfs/dbraw/zinc/24/20/61/662242061.db2.gz NQPNQRHRBYQKHV-AIANPOQGSA-N 1 0 318.461 3.153 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000092253909 662329051 /nfs/dbraw/zinc/32/90/51/662329051.db2.gz YBYOAUOXGSWUAM-GOSISDBHSA-N 1 0 303.494 3.306 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3ccc(OC)cc3C2)c1 ZINC000092507733 662332653 /nfs/dbraw/zinc/33/26/53/662332653.db2.gz SMWPVWUIYGMBPM-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO CN(C)c1ccc(CN2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000092975472 662342486 /nfs/dbraw/zinc/34/24/86/662342486.db2.gz WJFXPQYKYIQVOE-LJQANCHMSA-N 1 0 314.404 3.465 20 10 DGCDRO CCOc1cccc(C[N@H+](C)CCc2ccccc2OC)c1O ZINC000093105184 662344088 /nfs/dbraw/zinc/34/40/88/662344088.db2.gz WFTPMDIWJKNFQB-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000093282000 662350764 /nfs/dbraw/zinc/35/07/64/662350764.db2.gz NKGAGSHFSXKZOX-OAHLLOKOSA-N 1 0 318.461 3.075 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000248517235 662350807 /nfs/dbraw/zinc/35/08/07/662350807.db2.gz PGFJTRQWEVZCGE-JYJNAYRXSA-N 1 0 320.477 3.239 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093360038 662353722 /nfs/dbraw/zinc/35/37/22/662353722.db2.gz XMCZHKVGUFZCJW-CQSZACIVSA-N 1 0 321.465 3.098 20 10 DGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)NC(=O)OC(C)(C)C ZINC000227683214 685118363 /nfs/dbraw/zinc/11/83/63/685118363.db2.gz RTUKARHCFFCEOM-SNVBAGLBSA-N 1 0 314.813 3.048 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CC)c1cc(Br)ccc1O)[C@H](C)O ZINC000386737619 685180123 /nfs/dbraw/zinc/18/01/23/685180123.db2.gz XGZHESWKNOOCHL-BIMULSAOSA-N 1 0 316.239 3.355 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@](C)(CO)c2ccccc2)c1O ZINC000389612132 685194565 /nfs/dbraw/zinc/19/45/65/685194565.db2.gz YCAABABUJUQOGQ-KRWDZBQOSA-N 1 0 321.804 3.052 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CC12CCCCC2 ZINC000395689963 685226641 /nfs/dbraw/zinc/22/66/41/685226641.db2.gz ZQFQVJBPFQPGFL-SFHVURJKSA-N 1 0 300.446 3.336 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000396332971 685227526 /nfs/dbraw/zinc/22/75/26/685227526.db2.gz SGJNQPPXGUEYGU-UHFFFAOYSA-N 1 0 316.367 3.078 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cnc(C)cc2C)c1O ZINC000397115069 685228951 /nfs/dbraw/zinc/22/89/51/685228951.db2.gz VYRGXASRTCPTNX-UHFFFAOYSA-N 1 0 306.793 3.356 20 10 DGCDRO C[C@H]1CN(Cc2cc(F)c(F)cc2O)c2cc(F)ccc2C[NH2+]1 ZINC001576807879 1191870244 /nfs/dbraw/zinc/87/02/44/1191870244.db2.gz XCDYKJZLDQCRFY-JTQLQIEISA-N 1 0 322.330 3.308 20 10 DGCDRO C[C@H]([NH3+])CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001579479993 1191977432 /nfs/dbraw/zinc/97/74/32/1191977432.db2.gz DDTLSMKZDBZANM-AWEZNQCLSA-N 1 0 303.475 3.211 20 10 DGCDRO Cc1cc(CN2CC[C@]23CCC[NH2+]C3)ccc1N1CCCCC1 ZINC001579598253 1191981396 /nfs/dbraw/zinc/98/13/96/1191981396.db2.gz LMGRVQCBCGWLKG-FQEVSTJZSA-N 1 0 313.489 3.313 20 10 DGCDRO Cc1cc(CNC(=O)c2ccc(C[NH3+])o2)c(C)n1-c1ccccc1 ZINC001579601491 1191981617 /nfs/dbraw/zinc/98/16/17/1191981617.db2.gz SYVAROHLVVMELN-UHFFFAOYSA-N 1 0 323.396 3.076 20 10 DGCDRO Cc1ccc(N(CC2CC2)C(=O)C2=CCC[NH2+]CC2)cc1F ZINC001579709060 1191988267 /nfs/dbraw/zinc/98/82/67/1191988267.db2.gz NAXBDFVNNXNFTM-UHFFFAOYSA-N 1 0 302.393 3.187 20 10 DGCDRO [NH3+]C1CC2(C1)CC([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001580166010 1192011338 /nfs/dbraw/zinc/01/13/38/1192011338.db2.gz NCKVVOKLKNAWTJ-UHFFFAOYSA-N 1 0 301.217 3.059 20 10 DGCDRO [NH3+][C@@H]1CC=C(C(=O)N(Cc2ccccc2F)c2ccccc2)C1 ZINC001580171113 1192011805 /nfs/dbraw/zinc/01/18/05/1192011805.db2.gz GKDNQZFEPFDRHS-MRXNPFEDSA-N 1 0 310.372 3.406 20 10 DGCDRO [NH3+]C[C@@]12C[N@H+](Cc3c([O-])ccc(Cl)c3F)C[C@@H]1CCCC2 ZINC001580256858 1192016710 /nfs/dbraw/zinc/01/67/10/1192016710.db2.gz YNHAUXUQZFHCCC-ZBEGNZNMSA-N 1 0 312.816 3.136 20 10 DGCDRO Nc1ccc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC001580443413 1192027003 /nfs/dbraw/zinc/02/70/03/1192027003.db2.gz CRIVHBXDPAVIRY-UHFFFAOYSA-N 1 0 322.412 3.161 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC001621346265 1192088392 /nfs/dbraw/zinc/08/83/92/1192088392.db2.gz TUFHUFLYYJBCRI-OALUTQOASA-N 1 0 306.494 3.440 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2cscc2Cl)cc1OC ZINC001331565064 1178247380 /nfs/dbraw/zinc/24/73/80/1178247380.db2.gz IIXMIUXDRBACMI-UHFFFAOYSA-N 1 0 313.806 3.414 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)c(O)c1OC ZINC001334167681 1178730043 /nfs/dbraw/zinc/73/00/43/1178730043.db2.gz GSXJFAGIBQFAQM-SNVBAGLBSA-N 1 0 308.403 3.025 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccc(N)cc2)cc1OC ZINC001334754234 1178792041 /nfs/dbraw/zinc/79/20/41/1178792041.db2.gz MMHZZSAXEFNHRK-UHFFFAOYSA-N 1 0 300.402 3.226 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2ccc(OC)nc2)cc1 ZINC001334937490 1178831447 /nfs/dbraw/zinc/83/14/47/1178831447.db2.gz SFGBMRCIPBVFEL-OAHLLOKOSA-N 1 0 313.445 3.440 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCOC23CCCC3)cc1 ZINC001335134505 1178858152 /nfs/dbraw/zinc/85/81/52/1178858152.db2.gz SOPNMWWPNADNIU-OOFWQKGWSA-N 1 0 300.446 3.457 20 10 DGCDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001335289163 1178885173 /nfs/dbraw/zinc/88/51/73/1178885173.db2.gz KIZDPHZTQFYZIZ-WOJBJXKFSA-N 1 0 307.441 3.001 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)[C@H](O)C(F)(F)F ZINC001335523349 1178925896 /nfs/dbraw/zinc/92/58/96/1178925896.db2.gz VPJWBUUIGDQMFX-YCWTYVPXSA-N 1 0 303.324 3.150 20 10 DGCDRO Nc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC001336118826 1178995333 /nfs/dbraw/zinc/99/53/33/1178995333.db2.gz KYKLJAHHVCLTCN-INIZCTEOSA-N 1 0 308.784 3.275 20 10 DGCDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001341568766 1179029883 /nfs/dbraw/zinc/02/98/83/1179029883.db2.gz DZWSEOIGNRARKO-ROUUACIJSA-N 1 0 320.502 3.239 20 10 DGCDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001341568764 1179031002 /nfs/dbraw/zinc/03/10/02/1179031002.db2.gz DZWSEOIGNRARKO-MSOLQXFVSA-N 1 0 320.502 3.239 20 10 DGCDRO Nc1ccc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)cc1 ZINC001345160806 1179535458 /nfs/dbraw/zinc/53/54/58/1179535458.db2.gz ZDGYWVCVNWRLAQ-UHFFFAOYSA-N 1 0 310.445 3.334 20 10 DGCDRO Nc1ccc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC001345159832 1179535769 /nfs/dbraw/zinc/53/57/69/1179535769.db2.gz NUQQVVQGHNIBKN-UHFFFAOYSA-N 1 0 300.377 3.451 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[C@H](C)O ZINC001345639431 1179584605 /nfs/dbraw/zinc/58/46/05/1179584605.db2.gz SXSAHHDDASCKIL-MCIONIFRSA-N 1 0 310.869 3.435 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)Cc1ccccc1 ZINC001347709747 1179816440 /nfs/dbraw/zinc/81/64/40/1179816440.db2.gz QDXAACOJERZVKE-OAQYLSRUSA-N 1 0 324.468 3.322 20 10 DGCDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001350594170 1180090421 /nfs/dbraw/zinc/09/04/21/1180090421.db2.gz PVCFBZZAABLGCD-KDURUIRLSA-N 1 0 300.446 3.145 20 10 DGCDRO COC1CCC(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001351316759 1180199321 /nfs/dbraw/zinc/19/93/21/1180199321.db2.gz ZTSQMPFXYXFIST-UHFFFAOYSA-N 1 0 312.404 3.326 20 10 DGCDRO C[C@H]([NH2+]CCOC1CCSCC1)c1ccc(N(C)C)cc1 ZINC001354626788 1180860942 /nfs/dbraw/zinc/86/09/42/1180860942.db2.gz NOWKAPMCNNGKGY-AWEZNQCLSA-N 1 0 308.491 3.315 20 10 DGCDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001356083414 1181138968 /nfs/dbraw/zinc/13/89/68/1181138968.db2.gz PBNCRXRIGIOJAK-UHFFFAOYSA-N 1 0 317.477 3.129 20 10 DGCDRO O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001456307505 1182409962 /nfs/dbraw/zinc/40/99/62/1182409962.db2.gz CVTYZSBWGNFJHE-SFHVURJKSA-N 1 0 324.424 3.179 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1Cn1cccn1 ZINC001461121837 1182770691 /nfs/dbraw/zinc/77/06/91/1182770691.db2.gz OTAWZIRIJOSLCK-MRXNPFEDSA-N 1 0 311.429 3.386 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC001461127756 1182771956 /nfs/dbraw/zinc/77/19/56/1182771956.db2.gz DSDVNXLEAKKQQZ-UXHICEINSA-N 1 0 306.409 3.235 20 10 DGCDRO Oc1ccccc1CC[NH2+]Cc1c(O)cccc1Br ZINC001461127930 1182772011 /nfs/dbraw/zinc/77/20/11/1182772011.db2.gz GBFVCRQMWGAICH-UHFFFAOYSA-N 1 0 322.202 3.193 20 10 DGCDRO c1ccc(N2CC[C@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001461358250 1182799448 /nfs/dbraw/zinc/79/94/48/1182799448.db2.gz AWWYVDFTJWPFAR-SFHVURJKSA-N 1 0 322.456 3.050 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1F ZINC001461387482 1182804635 /nfs/dbraw/zinc/80/46/35/1182804635.db2.gz LTWRFYBNWBSQGR-HNNXBMFYSA-N 1 0 312.404 3.467 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@H](OC)C3CCCC3)C2)cc1 ZINC001462421846 1182950395 /nfs/dbraw/zinc/95/03/95/1182950395.db2.gz RPFVFUQMOKCRQP-QFBILLFUSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@H](OC)C3CCCC3)C2)cc1 ZINC001462421774 1182950633 /nfs/dbraw/zinc/95/06/33/1182950633.db2.gz RPFVFUQMOKCRQP-APWZRJJASA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CCC[C@H]34)C2)cc1 ZINC001462419229 1182950819 /nfs/dbraw/zinc/95/08/19/1182950819.db2.gz DYIKAENHGYXMRE-STEAMIEHSA-N 1 0 300.446 3.442 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2O)c(F)c1 ZINC001462460532 1182956753 /nfs/dbraw/zinc/95/67/53/1182956753.db2.gz XRSYLNZTUJPCFS-UHFFFAOYSA-N 1 0 323.751 3.261 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)CCCC(=O)OC(C)(C)C)c(O)c1 ZINC001462635722 1182978839 /nfs/dbraw/zinc/97/88/39/1182978839.db2.gz FPLFPQFLKLNZSS-UHFFFAOYSA-N 1 0 323.433 3.263 20 10 DGCDRO COC[C@@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C ZINC001473262353 1183737300 /nfs/dbraw/zinc/73/73/00/1183737300.db2.gz WSWTUWVQTAUJFO-MSOLQXFVSA-N 1 0 321.461 3.292 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]2(CCOC2)O1)c1ccc(N(C)C)cc1 ZINC001473401148 1183752572 /nfs/dbraw/zinc/75/25/72/1183752572.db2.gz ZAMOGFVNOXLMPK-SNRMKQJTSA-N 1 0 318.461 3.131 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)C3(CCCCC3)C2)cc1 ZINC001473486919 1183762220 /nfs/dbraw/zinc/76/22/20/1183762220.db2.gz UYOYOBICOYZBJZ-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)c1c[nH]c2ncccc12 ZINC001473723721 1183793325 /nfs/dbraw/zinc/79/33/25/1183793325.db2.gz JHYMFZXPVSFJBN-NWDGAFQWSA-N 1 0 309.369 3.191 20 10 DGCDRO CN(C)c1ccc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC001473971494 1183841614 /nfs/dbraw/zinc/84/16/14/1183841614.db2.gz QVDMNZUQFKRMEN-UHFFFAOYSA-N 1 0 315.436 3.290 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCC2 ZINC001474011312 1183850074 /nfs/dbraw/zinc/85/00/74/1183850074.db2.gz QUOQNFNJNQDKFH-ZWKOTPCHSA-N 1 0 301.430 3.449 20 10 DGCDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001474022520 1183852971 /nfs/dbraw/zinc/85/29/71/1183852971.db2.gz XQYZTRBRERCVJC-WBVHZDCISA-N 1 0 312.404 3.324 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccc(N(C)C)cc1 ZINC001474116684 1183870045 /nfs/dbraw/zinc/87/00/45/1183870045.db2.gz CDGSXYXPAJOJOF-AWEZNQCLSA-N 1 0 321.428 3.389 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](O)c1ccccc1 ZINC001474257305 1183890454 /nfs/dbraw/zinc/89/04/54/1183890454.db2.gz FRQPVPNYPGHUSW-HKUYNNGSSA-N 1 0 316.420 3.494 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnn(CC3CCC3)c2)cc1 ZINC001474307359 1183902595 /nfs/dbraw/zinc/90/25/95/1183902595.db2.gz JVGHMPNUQDJSQI-UHFFFAOYSA-N 1 0 312.461 3.381 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)CC2(O)CCCCCC2)c(O)c1 ZINC001474461920 1183925765 /nfs/dbraw/zinc/92/57/65/1183925765.db2.gz XSIBZNHRNQJNBG-UHFFFAOYSA-N 1 0 307.434 3.226 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001474467414 1183926879 /nfs/dbraw/zinc/92/68/79/1183926879.db2.gz XTRLUXUDUUNZMC-LZCIBIBXSA-N 1 0 316.445 3.183 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c(O)c1 ZINC001474497818 1183931638 /nfs/dbraw/zinc/93/16/38/1183931638.db2.gz WMXFRKNGLHMGOS-UZLBHIALSA-N 1 0 313.441 3.420 20 10 DGCDRO CCCSC[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001474741855 1183971111 /nfs/dbraw/zinc/97/11/11/1183971111.db2.gz LYLYVNBPKSEHIN-MAUKXSAKSA-N 1 0 323.550 3.477 20 10 DGCDRO CCC[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480439690 1184530562 /nfs/dbraw/zinc/53/05/62/1184530562.db2.gz UZEWKZREBHEFFK-DZGCQCFKSA-N 1 0 306.450 3.034 20 10 DGCDRO CCCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001616867274 1193549719 /nfs/dbraw/zinc/54/97/19/1193549719.db2.gz SVESEHSZNREXQW-KRWDZBQOSA-N 1 0 319.493 3.298 20 10 DGCDRO CCC[N@H+](C)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001557887225 1189091131 /nfs/dbraw/zinc/09/11/31/1189091131.db2.gz GHJSCBDAGKQBFG-UHFFFAOYSA-N 1 0 313.445 3.052 20 10 DGCDRO CC[C@@H](C)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001560083129 1189276371 /nfs/dbraw/zinc/27/63/71/1189276371.db2.gz QLLKUKIRFWWIPD-CABCVRRESA-N 1 0 306.450 3.260 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001560470174 1189331437 /nfs/dbraw/zinc/33/14/37/1189331437.db2.gz REIIFOKMDDCTQJ-LJQANCHMSA-N 1 0 311.425 3.397 20 10 DGCDRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001560562592 1189341707 /nfs/dbraw/zinc/34/17/07/1189341707.db2.gz BKWOSDCTHKWCDL-IBGZPJMESA-N 1 0 308.425 3.288 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCc2c(F)cc(O)cc2F)cc1F ZINC001560601444 1189346777 /nfs/dbraw/zinc/34/67/77/1189346777.db2.gz YXWDPZPWTJGVMG-UHFFFAOYSA-N 1 0 324.346 3.208 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H]2CCCCN2C)c(O)c(C(C)(C)C)c1 ZINC001560611172 1189348210 /nfs/dbraw/zinc/34/82/10/1189348210.db2.gz QKKACKVSPFQRAI-HNNXBMFYSA-N 1 0 320.477 3.272 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)cc1 ZINC001560883117 1189400212 /nfs/dbraw/zinc/40/02/12/1189400212.db2.gz KCNXQAMVDBVMRD-HQYUYXFKSA-N 1 0 300.446 3.123 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001560891524 1189401085 /nfs/dbraw/zinc/40/10/85/1189401085.db2.gz MZKQHGRROMSLRT-WPGJWXSHSA-N 1 0 316.445 3.041 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)c1 ZINC001560937369 1189407738 /nfs/dbraw/zinc/40/77/38/1189407738.db2.gz CGJBNWKCLBEVAL-UHFFFAOYSA-N 1 0 313.426 3.452 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1c(F)cc(O)cc1F ZINC001561020812 1189421482 /nfs/dbraw/zinc/42/14/82/1189421482.db2.gz RKOIWZHAHKYYOS-UHFFFAOYSA-N 1 0 320.383 3.377 20 10 DGCDRO Cc1ccc(C[N@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)c(O)c1 ZINC001561023943 1189422190 /nfs/dbraw/zinc/42/21/90/1189422190.db2.gz DYNWSNACVVTSOD-OAHLLOKOSA-N 1 0 320.433 3.142 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCC23CC3)N(C)C)cc1 ZINC001561040674 1189425834 /nfs/dbraw/zinc/42/58/34/1189425834.db2.gz XDZVGVPBTZCGJB-MSOLQXFVSA-N 1 0 301.478 3.278 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC(C)(C)C)cc1C ZINC001568159840 1190438775 /nfs/dbraw/zinc/43/87/75/1190438775.db2.gz AFLYXHZBTMXHET-CQSZACIVSA-N 1 0 320.477 3.282 20 10 DGCDRO CCC(C)(C)C(=O)N(C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001569235458 1190655482 /nfs/dbraw/zinc/65/54/82/1190655482.db2.gz UQFMVEHUJYYLHV-UHFFFAOYSA-N 1 0 320.477 3.378 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC001620754934 1191434586 /nfs/dbraw/zinc/43/45/86/1191434586.db2.gz IHUMYYBVLVALJI-IBGZPJMESA-N 1 0 312.388 3.449 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2ccccc2O)ccc1OC ZINC001620761179 1191441854 /nfs/dbraw/zinc/44/18/54/1191441854.db2.gz MJQZLZWNXHRYKA-UHFFFAOYSA-N 1 0 315.413 3.270 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC001620772033 1191484751 /nfs/dbraw/zinc/48/47/51/1191484751.db2.gz IFYPJXPNGKVFIS-VOTSOKGWSA-N 1 0 320.440 3.442 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2OCc3ccccc32)cc1F ZINC001621105306 1193761022 /nfs/dbraw/zinc/76/10/22/1193761022.db2.gz NEUIEGDOQARQLY-GOSISDBHSA-N 1 0 300.377 3.253 20 10 DGCDRO C[C@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1ccccc1O ZINC001620505410 1193774183 /nfs/dbraw/zinc/77/41/83/1193774183.db2.gz YYBYMOYZNGQZSO-ZDUSSCGKSA-N 1 0 309.369 3.336 20 10 DGCDRO CCc1cccc(C[N@H+](C)C2(C(=O)OC)CCCCC2)c1O ZINC001621120717 1193804613 /nfs/dbraw/zinc/80/46/13/1193804613.db2.gz MCKYADNMGLZKHZ-UHFFFAOYSA-N 1 0 305.418 3.262 20 10 DGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C1(C)C ZINC001621122153 1193806137 /nfs/dbraw/zinc/80/61/37/1193806137.db2.gz UCTFKECKKBKKLU-DLBZAZTESA-N 1 0 307.434 3.345 20 10 DGCDRO CC[C@@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001621135149 1193807213 /nfs/dbraw/zinc/80/72/13/1193807213.db2.gz GJUGWQAGYRUXEO-GFCCVEGCSA-N 1 0 318.392 3.336 20 10 DGCDRO Cc1ccc(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)c(O)c1 ZINC001621150148 1193809517 /nfs/dbraw/zinc/80/95/17/1193809517.db2.gz IEDAQQWSQFTWLH-UHFFFAOYSA-N 1 0 320.433 3.001 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1n1ccnc1 ZINC001621157504 1193809887 /nfs/dbraw/zinc/80/98/87/1193809887.db2.gz MNSKINRTPOPQPJ-WFASDCNBSA-N 1 0 305.809 3.325 20 10 DGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001621174435 1193812602 /nfs/dbraw/zinc/81/26/02/1193812602.db2.gz ZLLZYJXXEVVQJN-CQSZACIVSA-N 1 0 324.852 3.174 20 10 DGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc2c(c1)CCCO2)C(C)C ZINC001621274757 1193826422 /nfs/dbraw/zinc/82/64/22/1193826422.db2.gz OCKSGZUHUCHTGB-LJQANCHMSA-N 1 0 319.445 3.469 20 10 DGCDRO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1ccc(C)cc1O)CC1CC1 ZINC001621403114 1193838198 /nfs/dbraw/zinc/83/81/98/1193838198.db2.gz QDUZDPWZKVBUAY-SFHVURJKSA-N 1 0 305.418 3.254 20 10 DGCDRO CCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCN(C)C1 ZINC001621407240 1193838747 /nfs/dbraw/zinc/83/87/47/1193838747.db2.gz RYSLBWVCRWDLSL-LIXSYLKWSA-N 1 0 301.478 3.182 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c(O)c1 ZINC001621422857 1193840854 /nfs/dbraw/zinc/84/08/54/1193840854.db2.gz FXVFWRAGMFUHFI-KZULUSFZSA-N 1 0 319.376 3.060 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c(O)c1 ZINC001621422858 1193841487 /nfs/dbraw/zinc/84/14/87/1193841487.db2.gz FXVFWRAGMFUHFI-SGTLLEGYSA-N 1 0 319.376 3.060 20 10 DGCDRO Cc1ccc(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001621451608 1193844757 /nfs/dbraw/zinc/84/47/57/1193844757.db2.gz YWEFCJDZVAUBED-SFHVURJKSA-N 1 0 320.433 3.190 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3CC(C)(C)C3)CC2)c(OC)c1 ZINC001648087700 1195275653 /nfs/dbraw/zinc/27/56/53/1195275653.db2.gz QQKUQPRFAXQUQH-UHFFFAOYSA-N 1 0 318.461 3.262 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cn2cccc(F)c2n1 ZINC001649307644 1195332393 /nfs/dbraw/zinc/33/23/93/1195332393.db2.gz SZIFMRFYOVQBNG-UHFFFAOYSA-N 1 0 312.392 3.138 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H](O)Cc1ccccc1 ZINC001650806861 1195384444 /nfs/dbraw/zinc/38/44/44/1195384444.db2.gz AQHIWOWUFSPNLE-LAUBAEHRSA-N 1 0 324.468 3.369 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC001651731039 1195502609 /nfs/dbraw/zinc/50/26/09/1195502609.db2.gz MVCPJCVPVBQFSZ-MRXNPFEDSA-N 1 0 305.418 3.243 20 10 DGCDRO CCc1cccc(C[NH+]2CCN(CCc3ccccc3)CC2)c1O ZINC001652071659 1195543423 /nfs/dbraw/zinc/54/34/23/1195543423.db2.gz ILTMANLWAJFDCB-UHFFFAOYSA-N 1 0 324.468 3.315 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc(F)c(C)c2)cc1 ZINC001652771039 1195649243 /nfs/dbraw/zinc/64/92/43/1195649243.db2.gz TZYLVQHGPWBTIC-UHFFFAOYSA-N 1 0 317.408 3.106 20 10 DGCDRO COc1ccnc(C[NH2+]Cc2ccc3ccccc3c2O)c1F ZINC001652841857 1195659741 /nfs/dbraw/zinc/65/97/41/1195659741.db2.gz ZJUVMSDLVKMCJF-UHFFFAOYSA-N 1 0 312.344 3.378 20 10 DGCDRO Cc1cc(C2([NH2+]Cc3ccc(Cl)cc3O)CCOCC2)on1 ZINC001652914198 1195671343 /nfs/dbraw/zinc/67/13/43/1195671343.db2.gz WGVUVLXACGTTQB-UHFFFAOYSA-N 1 0 322.792 3.138 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)cc1 ZINC001653072473 1195686216 /nfs/dbraw/zinc/68/62/16/1195686216.db2.gz HNXMXRAMCHKOFG-XTKXOIQPSA-N 1 0 302.462 3.249 20 10 DGCDRO Oc1cc(Br)ccc1C[NH+]1CC(Cc2ccoc2)C1 ZINC001653212573 1195698812 /nfs/dbraw/zinc/69/88/12/1195698812.db2.gz CLRWAEDOEGFOJX-UHFFFAOYSA-N 1 0 322.202 3.422 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](CC2CCCC2)C(=O)OC)c1O ZINC001653221917 1195700443 /nfs/dbraw/zinc/70/04/43/1195700443.db2.gz FNAUAJFMUXECCP-KRWDZBQOSA-N 1 0 319.445 3.414 20 10 DGCDRO COc1cc(O)c(C[NH2+]CCCc2ccsc2)cc1OC ZINC001653265816 1195704858 /nfs/dbraw/zinc/70/48/58/1195704858.db2.gz FOGLHTRKKDGNTH-UHFFFAOYSA-N 1 0 307.415 3.193 20 10 DGCDRO CCOC(OCC)[C@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC001653287837 1195707930 /nfs/dbraw/zinc/70/79/30/1195707930.db2.gz IYJPFTRWBLJTFD-ZDUSSCGKSA-N 1 0 303.402 3.423 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccccc1O ZINC001654532284 1195814049 /nfs/dbraw/zinc/81/40/49/1195814049.db2.gz MWFAZNWPTPUPCW-NSHDSACASA-N 1 0 311.337 3.055 20 10 DGCDRO Cn1c(C[NH2+]Cc2ccc3c(c2)CCCO3)nc2ccccc21 ZINC001655526410 1195928126 /nfs/dbraw/zinc/92/81/26/1195928126.db2.gz RJMQVMAWKDQRDJ-UHFFFAOYSA-N 1 0 307.397 3.188 20 10 DGCDRO C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCCCC1 ZINC001656155874 1196011305 /nfs/dbraw/zinc/01/13/05/1196011305.db2.gz ZNOGZEOHGORRIZ-OZSKJFCKSA-N 1 0 301.478 3.230 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(Cl)cc1 ZINC001656320453 1196030195 /nfs/dbraw/zinc/03/01/95/1196030195.db2.gz UDNZJCSJLDWPCW-QGZVFWFLSA-N 1 0 317.816 3.488 20 10 DGCDRO Cc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001656955442 1196087206 /nfs/dbraw/zinc/08/72/06/1196087206.db2.gz YPNPDNVEEANBCJ-UHFFFAOYSA-N 1 0 314.404 3.261 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)cc1F ZINC001657074904 1196101125 /nfs/dbraw/zinc/10/11/25/1196101125.db2.gz CWWXIDLCYJYJGE-QGZVFWFLSA-N 1 0 306.425 3.473 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)C[S@](C)=O)cc1 ZINC001657159083 1196113330 /nfs/dbraw/zinc/11/33/30/1196113330.db2.gz DADBRRYPRYQLRQ-BTYIYWSLSA-N 1 0 310.507 3.170 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1 ZINC001657312869 1196129617 /nfs/dbraw/zinc/12/96/17/1196129617.db2.gz QBWXBPGNYQPTSY-QJSCKGPTSA-N 1 0 315.505 3.476 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657421780 1196139567 /nfs/dbraw/zinc/13/95/67/1196139567.db2.gz LNBVIDYSTXKKTH-AWEZNQCLSA-N 1 0 317.351 3.459 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccc(CO)cc2)cc1 ZINC001657649901 1196164226 /nfs/dbraw/zinc/16/42/26/1196164226.db2.gz XKQIQDSBQGPGIA-UHFFFAOYSA-N 1 0 312.457 3.357 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC001657680731 1196169296 /nfs/dbraw/zinc/16/92/96/1196169296.db2.gz QHXBHQUTSJXJSM-AWEZNQCLSA-N 1 0 321.415 3.306 20 10 DGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657731782 1196172802 /nfs/dbraw/zinc/17/28/02/1196172802.db2.gz SDJIHBSQQYFXKG-BEFAXECRSA-N 1 0 311.425 3.266 20 10 DGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657731784 1196173311 /nfs/dbraw/zinc/17/33/11/1196173311.db2.gz SDJIHBSQQYFXKG-HNAYVOBHSA-N 1 0 311.425 3.266 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1 ZINC001657812421 1196180788 /nfs/dbraw/zinc/18/07/88/1196180788.db2.gz AKVXXPGTXMHBQF-JAQSECSASA-N 1 0 300.446 3.046 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001657870397 1196188399 /nfs/dbraw/zinc/18/83/99/1196188399.db2.gz GDTSVAUQHGNQHW-MRXNPFEDSA-N 1 0 305.418 3.433 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2c(F)cccc2-n2cccn2)c(O)c1 ZINC001658121228 1196214283 /nfs/dbraw/zinc/21/42/83/1196214283.db2.gz VRMBYPRCCGILJG-UHFFFAOYSA-N 1 0 311.360 3.315 20 10 DGCDRO OC[C@@]1(C[NH2+]Cc2ccc(Cl)cc2O)C[C@@H]1c1ccccc1 ZINC001658225625 1196227820 /nfs/dbraw/zinc/22/78/20/1196227820.db2.gz DDTYOACOXHGBMC-AEFFLSMTSA-N 1 0 317.816 3.301 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)cc1F ZINC001658314795 1196240214 /nfs/dbraw/zinc/24/02/14/1196240214.db2.gz CLQNFPZRKULNIC-HNNXBMFYSA-N 1 0 318.367 3.124 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)C2CC(OC(C)(C)C)C2)c(O)c1 ZINC001658375014 1196247545 /nfs/dbraw/zinc/24/75/45/1196247545.db2.gz KUZXHPIJGTZSQH-UHFFFAOYSA-N 1 0 307.434 3.487 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@H](O)C2CCCC2)cc1 ZINC001658464140 1196259773 /nfs/dbraw/zinc/25/97/73/1196259773.db2.gz RWHMKTKRRNTBBN-UEKDZROGSA-N 1 0 302.462 3.297 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC001658577839 1196275982 /nfs/dbraw/zinc/27/59/82/1196275982.db2.gz RGDORKHJYVDHRM-KRWDZBQOSA-N 1 0 319.445 3.491 20 10 DGCDRO [NH3+]CCCN(Cc1cc(F)c(F)cc1O)c1cccc(F)c1 ZINC001658582202 1196276324 /nfs/dbraw/zinc/27/63/24/1196276324.db2.gz NOOQNAKHKWXFDM-UHFFFAOYSA-N 1 0 310.319 3.165 20 10 DGCDRO CCC[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C ZINC001658685574 1196288586 /nfs/dbraw/zinc/28/85/86/1196288586.db2.gz KNVFJWPPCUYOMO-QGZVFWFLSA-N 1 0 319.493 3.173 20 10 DGCDRO CCC[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C ZINC001658685573 1196288762 /nfs/dbraw/zinc/28/87/62/1196288762.db2.gz KNVFJWPPCUYOMO-KRWDZBQOSA-N 1 0 319.493 3.173 20 10 DGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001658695702 1196289200 /nfs/dbraw/zinc/28/92/00/1196289200.db2.gz QGKXSYFUQWKPKY-QFBILLFUSA-N 1 0 312.461 3.112 20 10 DGCDRO CC(=O)OC[C@H](C)[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC001658705171 1196289780 /nfs/dbraw/zinc/28/97/80/1196289780.db2.gz YNOYCHZQIUZRIF-AWEZNQCLSA-N 1 0 314.429 3.444 20 10 DGCDRO CCCN(Cc1n[nH]cc1Br)c1ccc(C[NH3+])cc1 ZINC001659101089 1196345179 /nfs/dbraw/zinc/34/51/79/1196345179.db2.gz BARADQNHLXUFJO-UHFFFAOYSA-N 1 0 323.238 3.048 20 10 DGCDRO CC[N@H+]1[C@H](C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC001659228651 1196360933 /nfs/dbraw/zinc/36/09/33/1196360933.db2.gz POVAHLQEXMADHV-TXEJJXNPSA-N 1 0 324.852 3.163 20 10 DGCDRO Cc1cccc(CN2CC[NH+](Cc3ccc(C)cc3O)CC2)c1 ZINC001659259660 1196364172 /nfs/dbraw/zinc/36/41/72/1196364172.db2.gz WTNJOZOAFHHPTE-UHFFFAOYSA-N 1 0 310.441 3.327 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC001659290653 1196368056 /nfs/dbraw/zinc/36/80/56/1196368056.db2.gz RVNUFUBQMOOABZ-MRXNPFEDSA-N 1 0 309.356 3.061 20 10 DGCDRO CCC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](CC)C(=O)OCC ZINC001659442732 1196383410 /nfs/dbraw/zinc/38/34/10/1196383410.db2.gz COKVEOPJJSOFFX-ZDUSSCGKSA-N 1 0 315.360 3.224 20 10 DGCDRO CCC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H](CC)C(=O)OCC ZINC001659442730 1196383874 /nfs/dbraw/zinc/38/38/74/1196383874.db2.gz COKVEOPJJSOFFX-CYBMUJFWSA-N 1 0 315.360 3.224 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H]2CSc3ccccc3O2)c(O)c1 ZINC001659535437 1196392945 /nfs/dbraw/zinc/39/29/45/1196392945.db2.gz XDAXZLMUDBWDNB-AWEZNQCLSA-N 1 0 301.411 3.344 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC001659723345 1196408826 /nfs/dbraw/zinc/40/88/26/1196408826.db2.gz JAVRYAOXACHRLU-UHFFFAOYSA-N 1 0 319.788 3.430 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC2(O)CCC(C)(C)CC2)c(O)c1 ZINC001659721366 1196408982 /nfs/dbraw/zinc/40/89/82/1196408982.db2.gz DTUCOTRRLSHXLT-UHFFFAOYSA-N 1 0 307.434 3.130 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCC23CCOCC3)c(O)c1 ZINC001659858461 1196421803 /nfs/dbraw/zinc/42/18/03/1196421803.db2.gz DGAOXKSDOPGLFI-AWEZNQCLSA-N 1 0 305.418 3.006 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3C[C@@H]4CCC[C@H]34)C2)cc1 ZINC001660090433 1196444239 /nfs/dbraw/zinc/44/42/39/1196444239.db2.gz BYWUOHUMTVWXLQ-STEAMIEHSA-N 1 0 300.446 3.300 20 10 DGCDRO CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001660261733 1196463876 /nfs/dbraw/zinc/46/38/76/1196463876.db2.gz HPWDKKAWZKDILO-LLVKDONJSA-N 1 0 302.821 3.395 20 10 DGCDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc(C(C)C)ccc2O)n1 ZINC001660327838 1196471528 /nfs/dbraw/zinc/47/15/28/1196471528.db2.gz REQMPBMQONEUKF-UHFFFAOYSA-N 1 0 315.417 3.345 20 10 DGCDRO C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC001660944792 1196544059 /nfs/dbraw/zinc/54/40/59/1196544059.db2.gz JDSQYVLLPBTTIV-STQMWFEESA-N 1 0 312.404 3.128 20 10 DGCDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001661224703 1196585499 /nfs/dbraw/zinc/58/54/99/1196585499.db2.gz SHNUPVVLCHOFOG-UHFFFAOYSA-N 1 0 313.445 3.480 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1F ZINC001661340268 1196596303 /nfs/dbraw/zinc/59/63/03/1196596303.db2.gz QJDHCPQOMSYLDY-CYBMUJFWSA-N 1 0 323.456 3.065 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](c1nncn1C)C(C)C ZINC001662427694 1196720638 /nfs/dbraw/zinc/72/06/38/1196720638.db2.gz OJSQMRXJEUFZNV-QGZVFWFLSA-N 1 0 311.433 3.102 20 10 DGCDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001662591278 1196731434 /nfs/dbraw/zinc/73/14/34/1196731434.db2.gz WOGHXWYYWHOFMB-HNNXBMFYSA-N 1 0 321.484 3.492 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1)CCCO2 ZINC001662971227 1196778564 /nfs/dbraw/zinc/77/85/64/1196778564.db2.gz VCDQTDFDLZPDJV-RBUKOAKNSA-N 1 0 301.430 3.449 20 10 DGCDRO C[C@H]1SCCN(Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC001663888411 1196955164 /nfs/dbraw/zinc/95/51/64/1196955164.db2.gz CTPCTMCGNOINSB-WDEREUQCSA-N 1 0 300.418 3.357 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)Cc1ccnc(OC)c1 ZINC001664577098 1197016359 /nfs/dbraw/zinc/01/63/59/1197016359.db2.gz MWRZKCUVGNXKQI-HNNXBMFYSA-N 1 0 313.445 3.397 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@H+](CCCO)Cc2ccccn2)c1 ZINC001664600887 1197019930 /nfs/dbraw/zinc/01/99/30/1197019930.db2.gz QCWRWALQIVYMHJ-UHFFFAOYSA-N 1 0 314.429 3.295 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001665022646 1197088465 /nfs/dbraw/zinc/08/84/65/1197088465.db2.gz ULYZYVFLMQAGIW-SFHVURJKSA-N 1 0 305.418 3.291 20 10 DGCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)c(F)c1 ZINC001665146595 1197102376 /nfs/dbraw/zinc/10/23/76/1197102376.db2.gz PDKTYLBWJPFJJS-UHFFFAOYSA-N 1 0 310.712 3.383 20 10 DGCDRO COc1nsc(C[NH2+]Cc2cc(Cl)ccc2O)c1Cl ZINC001665145771 1197102608 /nfs/dbraw/zinc/10/26/08/1197102608.db2.gz IBDABPOKWSNTGA-UHFFFAOYSA-N 1 0 319.213 3.454 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1F ZINC001665471856 1197141908 /nfs/dbraw/zinc/14/19/08/1197141908.db2.gz YHLXZTHZHYUYCQ-WCQYABFASA-N 1 0 312.429 3.216 20 10 DGCDRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001665479105 1197142171 /nfs/dbraw/zinc/14/21/71/1197142171.db2.gz CAXJNUVMGFQNIK-INIZCTEOSA-N 1 0 302.805 3.322 20 10 DGCDRO CC(C)C1(O)CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001665901106 1197213850 /nfs/dbraw/zinc/21/38/50/1197213850.db2.gz MWVFJJAPSYNABG-WAYWQWQTSA-N 1 0 302.462 3.249 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C2CCCC2)c(O)c1OC ZINC001665931029 1197217848 /nfs/dbraw/zinc/21/78/48/1197217848.db2.gz DEQVJLLLQNPNQR-LSDHHAIUSA-N 1 0 305.418 3.325 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@]2(NC(C)=O)CCCC[C@@H]2C)cc1C ZINC001666043241 1197230155 /nfs/dbraw/zinc/23/01/55/1197230155.db2.gz KBNRVCAYORXKFN-KXBFYZLASA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)/C=C\C(C)(C)C)cc1C ZINC001669260332 1197445854 /nfs/dbraw/zinc/44/58/54/1197445854.db2.gz VBKMAIGBBLTDEL-FJVVXJACSA-N 1 0 318.461 3.200 20 10 DGCDRO C/C=C(/C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001673156062 1197640915 /nfs/dbraw/zinc/64/09/15/1197640915.db2.gz NHGHRBXCYRCYJA-RZNTYIFUSA-N 1 0 316.445 3.098 20 10 DGCDRO CCc1nnc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)s1 ZINC000391877718 1197716462 /nfs/dbraw/zinc/71/64/62/1197716462.db2.gz RUCJBTUSCRPERW-MNOVXSKESA-N 1 0 303.431 3.453 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CCCC2)cc1C ZINC001674618663 1197803954 /nfs/dbraw/zinc/80/39/54/1197803954.db2.gz MFLQRKUUKUBSPS-GJZGRUSLSA-N 1 0 318.461 3.177 20 10 DGCDRO CN1CCCc2cc(CN(CC[NH3+])Cc3ccccc3)ccc21 ZINC000303916415 1199601158 /nfs/dbraw/zinc/60/11/58/1199601158.db2.gz USKJROJMPQPYEQ-UHFFFAOYSA-N 1 0 309.457 3.030 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](CO)Cc1ccccc1 ZINC000320934941 1199849733 /nfs/dbraw/zinc/84/97/33/1199849733.db2.gz RZZMOPOJTCGOSW-DJIMGWMZSA-N 1 0 311.425 3.442 20 10 DGCDRO CCC(CC)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001754260411 1200160004 /nfs/dbraw/zinc/16/00/04/1200160004.db2.gz YZKLDRVHVJCYIV-AWEZNQCLSA-N 1 0 306.450 3.034 20 10 DGCDRO C=C/C(C)=C/CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001752895252 1202000618 /nfs/dbraw/zinc/00/06/18/1202000618.db2.gz ZSEJMCAFWJFGSY-SNQWNFELSA-N 1 0 316.445 3.120 20 10 DGCDRO CCCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001752929878 1202015710 /nfs/dbraw/zinc/01/57/10/1202015710.db2.gz QFTRLODMZLYAMZ-KRWDZBQOSA-N 1 0 318.461 3.132 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(O)c1 ZINC000155186087 1202598508 /nfs/dbraw/zinc/59/85/08/1202598508.db2.gz UDRMBPBPQNPJOE-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO CC[C@H](CNC(=O)C1CCCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714052442 1202753062 /nfs/dbraw/zinc/75/30/62/1202753062.db2.gz FQSTVWVHYZQKOM-QGZVFWFLSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)C(C)C)C2CC2)cc1C ZINC001714160596 1202810380 /nfs/dbraw/zinc/81/03/80/1202810380.db2.gz UKUDVVZKGFFTCV-LJQANCHMSA-N 1 0 318.461 3.034 20 10 DGCDRO CCC1(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001714486118 1202957361 /nfs/dbraw/zinc/95/73/61/1202957361.db2.gz DYFGFMXPTBHYMJ-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO C/C=C(/C)C(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001715540077 1203367823 /nfs/dbraw/zinc/36/78/23/1203367823.db2.gz TXTCYDGLUOVDGD-UBWHZCOUSA-N 1 0 318.461 3.200 20 10 DGCDRO COc1ccc(C[NH2+]C2(CNC(=O)CCC(C)C)CC2)cc1C ZINC001716675029 1203522817 /nfs/dbraw/zinc/52/28/17/1203522817.db2.gz WLCSWNIGIAFFEC-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCC(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001725731239 1204203571 /nfs/dbraw/zinc/20/35/71/1204203571.db2.gz BCFJOFOVTTUFCD-MRXNPFEDSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2CCCC2)cc1C ZINC001732405908 1204824878 /nfs/dbraw/zinc/82/48/78/1204824878.db2.gz YFJACMWNEQSZIH-HNNXBMFYSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)CC2CC2)C(C)C)cc1C ZINC001732551375 1204891055 /nfs/dbraw/zinc/89/10/55/1204891055.db2.gz CZUKYJVXKOHTTC-KRWDZBQOSA-N 1 0 318.461 3.034 20 10 DGCDRO C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593208876 994232630 /nfs/dbraw/zinc/23/26/30/994232630.db2.gz KIJWOKUZQQQXBR-BLLLJJGKSA-N 1 0 322.449 3.107 20 10 DGCDRO CC[C@@]1(C)C[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169766460 1081651130 /nfs/dbraw/zinc/65/11/30/1081651130.db2.gz RHPSRGGBUICJCT-APWZRJJASA-N 1 0 318.461 3.036 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169781637 1081653893 /nfs/dbraw/zinc/65/38/93/1081653893.db2.gz GPTUWUWYZAHRHZ-SFHVURJKSA-N 1 0 324.424 3.129 20 10 DGCDRO COc1ccc(N2CCC[N@@H+](C[C@@H](CC(C)C)OC)CC2)cc1 ZINC001167108309 1081705411 /nfs/dbraw/zinc/70/54/11/1081705411.db2.gz ORASONCRQYRTKT-LJQANCHMSA-N 1 0 320.477 3.268 20 10 DGCDRO Oc1ccc(CNc2ccc3c(c2)C2(CC3)CC[NH2+]CC2)cc1O ZINC001169993038 1081797468 /nfs/dbraw/zinc/79/74/68/1081797468.db2.gz MDLYXOQDTRGXCV-UHFFFAOYSA-N 1 0 324.424 3.277 20 10 DGCDRO CCSCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691464660 1081849731 /nfs/dbraw/zinc/84/97/31/1081849731.db2.gz FQAORTPUJLEBHE-UHFFFAOYSA-N 1 0 304.253 3.388 20 10 DGCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2O)O1 ZINC000691464840 1081850086 /nfs/dbraw/zinc/85/00/86/1081850086.db2.gz GPMVQYGLVHUGOT-GXFFZTMASA-N 1 0 314.223 3.202 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]CCCOCC1CC1 ZINC000691476253 1081867876 /nfs/dbraw/zinc/86/78/76/1081867876.db2.gz JIEPRPOFIXQSLC-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO CC1(C)SC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691485492 1081919401 /nfs/dbraw/zinc/91/94/01/1081919401.db2.gz AUQXZXLVJRDNBI-LLVKDONJSA-N 1 0 302.237 3.138 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CC[C@H](C)C2)cc1C ZINC001132538874 1082937316 /nfs/dbraw/zinc/93/73/16/1082937316.db2.gz RPASYBFCRKKZAM-HOCLYGCPSA-N 1 0 318.461 3.036 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c(Cl)c1 ZINC001140927228 1083189154 /nfs/dbraw/zinc/18/91/54/1083189154.db2.gz JXFQWTBSEHVNAW-SWLSCSKDSA-N 1 0 306.837 3.207 20 10 DGCDRO CCOC(=O)C1(CC)CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140954776 1083224177 /nfs/dbraw/zinc/22/41/77/1083224177.db2.gz YVJOGDTWMGVAPT-UHFFFAOYSA-N 1 0 305.418 3.256 20 10 DGCDRO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001181112828 1083408252 /nfs/dbraw/zinc/40/82/52/1083408252.db2.gz NJGPASYLOGTPKI-BBRMVZONSA-N 1 0 305.418 3.289 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222254028 1083576539 /nfs/dbraw/zinc/57/65/39/1083576539.db2.gz UZIWXTGHTLEAND-OAHLLOKOSA-N 1 0 315.244 3.417 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1O ZINC000398005254 1083633694 /nfs/dbraw/zinc/63/36/94/1083633694.db2.gz GRDZMXAUVPVJRG-LPHOPBHVSA-N 1 0 310.441 3.453 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(Cl)cc2)cc(O)c1O ZINC001204345452 1083751127 /nfs/dbraw/zinc/75/11/27/1083751127.db2.gz SJVSMLKQGBGEMV-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001182634987 1083761853 /nfs/dbraw/zinc/76/18/53/1083761853.db2.gz VBDVAFHDAICLFS-AWEZNQCLSA-N 1 0 321.323 3.292 20 10 DGCDRO Cc1ccc2ncc(C[NH2+]Cc3cc(Cl)ccc3O)n2c1 ZINC001182684508 1083779034 /nfs/dbraw/zinc/77/90/34/1083779034.db2.gz MGZHQTMIARMXIJ-UHFFFAOYSA-N 1 0 301.777 3.292 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)COCC2CCCCC2)c1 ZINC001183920351 1084067402 /nfs/dbraw/zinc/06/74/02/1084067402.db2.gz XDEHUFAHPCRXST-CQSZACIVSA-N 1 0 307.434 3.476 20 10 DGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001648951605 1084903998 /nfs/dbraw/zinc/90/39/98/1084903998.db2.gz ZLNUTPPGGBYERJ-IEBWSBKVSA-N 1 0 302.462 3.362 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC001461433636 1126194548 /nfs/dbraw/zinc/19/45/48/1126194548.db2.gz SNBRFXFIZSDMAW-GOSISDBHSA-N 1 0 322.452 3.488 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H](O)c1ccccn1 ZINC001167984572 1085957238 /nfs/dbraw/zinc/95/72/38/1085957238.db2.gz TXCNNZSLIXHWSE-LJQANCHMSA-N 1 0 324.380 3.116 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001662225931 1126265525 /nfs/dbraw/zinc/26/55/25/1126265525.db2.gz XNZVEYGBUXAUEK-IBGZPJMESA-N 1 0 311.425 3.013 20 10 DGCDRO CC[N@H+](Cc1ccc(COC(C)=O)o1)Cc1ccccc1O ZINC001141791908 1086436519 /nfs/dbraw/zinc/43/65/19/1086436519.db2.gz IHQBCKJQKYUHKT-UHFFFAOYSA-N 1 0 303.358 3.070 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c(O)c1 ZINC000093593835 1087141627 /nfs/dbraw/zinc/14/16/27/1087141627.db2.gz GLGWDMMURDGFPJ-AWEZNQCLSA-N 1 0 313.397 3.399 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC2(C)CC2)cc1C ZINC001482856975 1087173203 /nfs/dbraw/zinc/17/32/03/1087173203.db2.gz VBQIBRRACYODLQ-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142520403 1087276342 /nfs/dbraw/zinc/27/63/42/1087276342.db2.gz IEKAITYQNWVKCE-UHFFFAOYSA-N 1 0 312.404 3.223 20 10 DGCDRO CCCCN(CCCC)c1ccc(CN2CC([NH2+]C)C2)c(O)c1 ZINC001204714139 1087354838 /nfs/dbraw/zinc/35/48/38/1087354838.db2.gz LQSHJCGSMHVIQO-UHFFFAOYSA-N 1 0 319.493 3.202 20 10 DGCDRO CC[C@@H](C)N1CCC2(CC[NH+](Cc3ccccc3O)CC2)C1=O ZINC001272619038 1088324941 /nfs/dbraw/zinc/32/49/41/1088324941.db2.gz QQZPYXFTFCSIFD-OAHLLOKOSA-N 1 0 316.445 3.005 20 10 DGCDRO O=C(c1ccccc1)c1ccccc1Nc1cnn(C2C[NH2+]C2)c1 ZINC001159477008 1088363706 /nfs/dbraw/zinc/36/37/06/1088363706.db2.gz DFZYSNOGHOTYCJ-UHFFFAOYSA-N 1 0 318.380 3.002 20 10 DGCDRO CCc1c(Cl)cc(Nc2ccncc2C[NH3+])c(O)c1Cl ZINC001159789557 1088484836 /nfs/dbraw/zinc/48/48/36/1088484836.db2.gz CFQNBHPRAHOXRF-UHFFFAOYSA-N 1 0 312.200 3.281 20 10 DGCDRO COc1ccc(C(=O)c2ccccc2NC2=CC[NH2+]CC2)cc1 ZINC001159932942 1088557919 /nfs/dbraw/zinc/55/79/19/1088557919.db2.gz KJBXDIVMHAMSNU-UHFFFAOYSA-N 1 0 308.381 3.215 20 10 DGCDRO CN(Cc1c(O)ccc(Cl)c1Cl)[C@]1(C)CCC[NH2+]C1 ZINC001236204852 1088697746 /nfs/dbraw/zinc/69/77/46/1088697746.db2.gz CCLVHBXBWYHRBA-CQSZACIVSA-N 1 0 303.233 3.273 20 10 DGCDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214130 1088709654 /nfs/dbraw/zinc/70/96/54/1088709654.db2.gz QJICGBZQINHIKP-QWHCGFSZSA-N 1 0 303.233 3.401 20 10 DGCDRO CCC[C@H](C)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155541148 1089153323 /nfs/dbraw/zinc/15/33/23/1089153323.db2.gz XLWCHCATVJPCLT-HNNXBMFYSA-N 1 0 320.477 3.426 20 10 DGCDRO CC[C@H](C(=O)NCc1c(O)ccc2ccccc21)[NH+](CC)CC ZINC001157041384 1089796862 /nfs/dbraw/zinc/79/68/62/1089796862.db2.gz FVMCTHPVYXQITH-QGZVFWFLSA-N 1 0 314.429 3.282 20 10 DGCDRO CC1(C)C[N@H+](Cc2c(O)ccc(F)c2Cl)[C@@](C)(CO)C1 ZINC001237121394 1090286214 /nfs/dbraw/zinc/28/62/14/1090286214.db2.gz MFFFQDJUYXNWRM-OAHLLOKOSA-N 1 0 301.789 3.168 20 10 DGCDRO Cc1cc(Cl)cc(C[N@H+](CCO)Cc2cccs2)c1O ZINC001237687764 1090317702 /nfs/dbraw/zinc/31/77/02/1090317702.db2.gz URYBYPWPULHUHO-UHFFFAOYSA-N 1 0 311.834 3.410 20 10 DGCDRO [NH3+]CC[C@@H]1CN(c2cc(-c3cccnc3)ncn2)c2ccccc21 ZINC001168544069 1090525162 /nfs/dbraw/zinc/52/51/62/1090525162.db2.gz MHVJJIJZTFNWKG-OAHLLOKOSA-N 1 0 317.396 3.123 20 10 DGCDRO CCC[C@H](CCO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001203379863 1090727592 /nfs/dbraw/zinc/72/75/92/1090727592.db2.gz QLVPOAJEBJCGSL-CQSZACIVSA-N 1 0 309.450 3.339 20 10 DGCDRO COc1ccc(CC[N@H+](C)Cc2ccccc2O)cc1OC ZINC001203546900 1090751980 /nfs/dbraw/zinc/75/19/80/1090751980.db2.gz BTFFWNWMFBESCJ-UHFFFAOYSA-N 1 0 301.386 3.084 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CCCN1C(=O)OC(C)(C)C ZINC001203558346 1090755305 /nfs/dbraw/zinc/75/53/05/1090755305.db2.gz GTFZHVMGNWJXNJ-AWEZNQCLSA-N 1 0 320.433 3.224 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001203556413 1090755726 /nfs/dbraw/zinc/75/57/26/1090755726.db2.gz PJASZWPFOZYPKU-UHFFFAOYSA-N 1 0 301.361 3.015 20 10 DGCDRO Oc1ccccc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001203556600 1090755985 /nfs/dbraw/zinc/75/59/85/1090755985.db2.gz VENXCHKLVGLCRJ-IEBWSBKVSA-N 1 0 308.425 3.099 20 10 DGCDRO C[C@@]1(c2ccc(F)cc2)C[N@H+](Cc2ccccc2O)CCO1 ZINC001203558513 1090756055 /nfs/dbraw/zinc/75/60/55/1090756055.db2.gz LLNPJUBKYMNFOY-SFHVURJKSA-N 1 0 301.361 3.279 20 10 DGCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC001203584750 1090761326 /nfs/dbraw/zinc/76/13/26/1090761326.db2.gz FCZIBAAXQAJMAT-QMTHXVAHSA-N 1 0 315.244 3.225 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC001203581199 1090761379 /nfs/dbraw/zinc/76/13/79/1090761379.db2.gz JQVAMGOWZCTPPZ-HIQKPIPCSA-N 1 0 322.452 3.406 20 10 DGCDRO COc1cccc(C[NH+]2CCC(Cc3ccncc3)CC2)c1O ZINC001203600242 1090765389 /nfs/dbraw/zinc/76/53/89/1090765389.db2.gz YVBNUVISVBDWDL-UHFFFAOYSA-N 1 0 312.413 3.251 20 10 DGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(OCC)c1O)C2 ZINC001203608513 1090766682 /nfs/dbraw/zinc/76/66/82/1090766682.db2.gz RUMMHHHNZWBMAO-APWZRJJASA-N 1 0 319.445 3.430 20 10 DGCDRO CCOc1cccc(C[N@H+](C2CCC2)C2CCOCC2)c1O ZINC001203616998 1090767606 /nfs/dbraw/zinc/76/76/06/1090767606.db2.gz FNUDHIPKTPWOKT-UHFFFAOYSA-N 1 0 305.418 3.324 20 10 DGCDRO COc1ccc(C[NH+]2CCC3(CCC(=O)CC3)CC2)c(O)c1 ZINC001203634798 1090770148 /nfs/dbraw/zinc/77/01/48/1090770148.db2.gz VXUPSXWZCIHORU-UHFFFAOYSA-N 1 0 303.402 3.126 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)c(O)c1 ZINC001203634582 1090770427 /nfs/dbraw/zinc/77/04/27/1090770427.db2.gz MSFOYTBUYBWTTN-UHFFFAOYSA-N 1 0 323.396 3.219 20 10 DGCDRO C[N@H+](CCc1cccnc1)Cc1cc(Br)ccc1O ZINC001203645333 1090772940 /nfs/dbraw/zinc/77/29/40/1090772940.db2.gz ATLGAYDGLAKUEN-UHFFFAOYSA-N 1 0 321.218 3.224 20 10 DGCDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203657986 1090774554 /nfs/dbraw/zinc/77/45/54/1090774554.db2.gz PMZQUYBJZXRQGT-QGZVFWFLSA-N 1 0 322.836 3.023 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH+](CC2CCCC2)CC1 ZINC001203657346 1090774872 /nfs/dbraw/zinc/77/48/72/1090774872.db2.gz JLOIOFSXDKNSJE-UHFFFAOYSA-N 1 0 308.853 3.353 20 10 DGCDRO Cc1nnc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)o1 ZINC001203664853 1090775906 /nfs/dbraw/zinc/77/59/06/1090775906.db2.gz ZSDUMEUISWLNAR-UHFFFAOYSA-N 1 0 307.781 3.117 20 10 DGCDRO CCCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001486189985 1090782664 /nfs/dbraw/zinc/78/26/64/1090782664.db2.gz FOTIVJGYBFMZGV-SJORKVTESA-N 1 0 318.461 3.178 20 10 DGCDRO CN(C)c1ccc(C[N@@H+](C)CCN(C)Cc2ccccc2)cc1 ZINC001203937554 1090843672 /nfs/dbraw/zinc/84/36/72/1090843672.db2.gz WPVRLVWHNXJTEC-UHFFFAOYSA-N 1 0 311.473 3.316 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC([NH+]3CCC3)CC2)cc1 ZINC001203943748 1090847369 /nfs/dbraw/zinc/84/73/69/1090847369.db2.gz GKISPJOMEUQEQU-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@H]1O ZINC001204233172 1090930203 /nfs/dbraw/zinc/93/02/03/1090930203.db2.gz OOUSKQAYXXGJEL-MGPUTAFESA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2CCc3nccn3CC2)c2ccccc21 ZINC001204240272 1090931727 /nfs/dbraw/zinc/93/17/27/1090931727.db2.gz MYXUMWTVWCCQEK-UHFFFAOYSA-N 1 0 320.440 3.161 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)c2ccccc12)CC(C)(C)O ZINC001204240438 1090932500 /nfs/dbraw/zinc/93/25/00/1090932500.db2.gz SVZXMZNNBOBZEW-UHFFFAOYSA-N 1 0 300.446 3.499 20 10 DGCDRO Oc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c(O)c1 ZINC001204275219 1090938200 /nfs/dbraw/zinc/93/82/00/1090938200.db2.gz ZMIUVFFHGKMYTR-LJHODMEESA-N 1 0 317.429 3.125 20 10 DGCDRO Oc1ccc(C[NH+]2CCC3(Cc4ccccc4O3)CC2)c(O)c1 ZINC001204280011 1090938902 /nfs/dbraw/zinc/93/89/02/1090938902.db2.gz IOPJGCXVBRMFJN-UHFFFAOYSA-N 1 0 311.381 3.068 20 10 DGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321277 1090948088 /nfs/dbraw/zinc/94/80/88/1090948088.db2.gz IKSFJFSNOSAISS-LJQANCHMSA-N 1 0 301.478 3.203 20 10 DGCDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321275 1090948388 /nfs/dbraw/zinc/94/83/88/1090948388.db2.gz IKSFJFSNOSAISS-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC2(CCCO2)CC1 ZINC001204321176 1090948626 /nfs/dbraw/zinc/94/86/26/1090948626.db2.gz HMSNQRMNKFOKQU-UHFFFAOYSA-N 1 0 300.446 3.432 20 10 DGCDRO c1ccc(O[C@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204328915 1090950668 /nfs/dbraw/zinc/95/06/68/1090950668.db2.gz TTZIZZAJLQBBQB-IBGZPJMESA-N 1 0 323.440 3.335 20 10 DGCDRO C[C@H]1C[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CC[C@H]2O1 ZINC001204328697 1090950769 /nfs/dbraw/zinc/95/07/69/1090950769.db2.gz ZWZGKRDPQSNJKE-VDZJLULYSA-N 1 0 300.446 3.286 20 10 DGCDRO COc1cc(Br)cc(C[N@H+](C)C2CC(C)C2)c1O ZINC001204336771 1090951898 /nfs/dbraw/zinc/95/18/98/1090951898.db2.gz WQXMPNWAHCTISA-UHFFFAOYSA-N 1 0 314.223 3.394 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc(O)c1O ZINC001204345742 1090952620 /nfs/dbraw/zinc/95/26/20/1090952620.db2.gz WIVODCPEYPKIDV-OAHLLOKOSA-N 1 0 313.397 3.171 20 10 DGCDRO CC[C@H](C)[C@H](C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1)OC ZINC001204388417 1090959517 /nfs/dbraw/zinc/95/95/17/1090959517.db2.gz CAPFJGWFKOKWDK-KSSFIOAISA-N 1 0 324.440 3.017 20 10 DGCDRO C[NH+](C)CCN(Cc1ccccc1)Cc1c(O)cccc1F ZINC001137831780 1091093164 /nfs/dbraw/zinc/09/31/64/1091093164.db2.gz MXWJVYKAERHKPB-UHFFFAOYSA-N 1 0 302.393 3.095 20 10 DGCDRO FC1(F)CO[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC001138215464 1091118216 /nfs/dbraw/zinc/11/82/16/1091118216.db2.gz GKZZMXJUASAXDB-SJORKVTESA-N 1 0 322.399 3.143 20 10 DGCDRO Cc1ncc2n1CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138215502 1091118271 /nfs/dbraw/zinc/11/82/71/1091118271.db2.gz HVIMINPTRDAVNI-UHFFFAOYSA-N 1 0 310.445 3.198 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@]1(C)O ZINC001138215643 1091118857 /nfs/dbraw/zinc/11/88/57/1091118857.db2.gz MNLFLLUJDZJLIO-VQIMIIECSA-N 1 0 302.462 3.270 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138252388 1091126249 /nfs/dbraw/zinc/12/62/49/1091126249.db2.gz FISHRFFFONNIFO-UKRRQHHQSA-N 1 0 314.429 3.260 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138336245 1091145022 /nfs/dbraw/zinc/14/50/22/1091145022.db2.gz NCSVTJYVSIVJSY-AWEZNQCLSA-N 1 0 300.446 3.323 20 10 DGCDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc2c(c1)CCCN2C ZINC001138355799 1091150463 /nfs/dbraw/zinc/15/04/63/1091150463.db2.gz DEFABEBBQSEMBI-KSSFIOAISA-N 1 0 318.461 3.089 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[N@H+](CC)CC2)c(OC)c1 ZINC001138387355 1091162648 /nfs/dbraw/zinc/16/26/48/1091162648.db2.gz CNRYVGUVYXAPEA-UHFFFAOYSA-N 1 0 319.493 3.069 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC001138389942 1091162659 /nfs/dbraw/zinc/16/26/59/1091162659.db2.gz VOXDIADDMFNVQI-SFHVURJKSA-N 1 0 319.493 3.067 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2(C)COC2)c(OC)c1 ZINC001138389861 1091163885 /nfs/dbraw/zinc/16/38/85/1091163885.db2.gz MYBMNONOTJGJRK-UHFFFAOYSA-N 1 0 306.450 3.010 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)c(OC)c1 ZINC001138390485 1091165901 /nfs/dbraw/zinc/16/59/01/1091165901.db2.gz YQXLAMJWKGTMJR-MRXNPFEDSA-N 1 0 318.461 3.342 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c(OC)c1 ZINC001138390458 1091166056 /nfs/dbraw/zinc/16/60/56/1091166056.db2.gz XSHCPOLLSCZZOR-IBGZPJMESA-N 1 0 318.461 3.296 20 10 DGCDRO CCC(CC)(C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)OC ZINC001205334726 1091190257 /nfs/dbraw/zinc/19/02/57/1091190257.db2.gz MAIVZETWODIUHV-CMDGGOBGSA-N 1 0 318.461 3.335 20 10 DGCDRO Cc1cccc2c1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138496485 1091205318 /nfs/dbraw/zinc/20/53/18/1091205318.db2.gz RGBUUFUJKUZBGD-UHFFFAOYSA-N 1 0 308.425 3.347 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CC2CCC(CC2)C1 ZINC001138499521 1091206207 /nfs/dbraw/zinc/20/62/07/1091206207.db2.gz OPWPIAVKTPXZIW-UHFFFAOYSA-N 1 0 300.446 3.145 20 10 DGCDRO COCCO[C@@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001205506763 1091236572 /nfs/dbraw/zinc/23/65/72/1091236572.db2.gz GNHQUSYKEUNDTN-QGZVFWFLSA-N 1 0 307.434 3.143 20 10 DGCDRO COc1ccc2c(C[N@@H+]3CCc4cccc(O)c4C3)c[nH]c2c1 ZINC001138589642 1091245261 /nfs/dbraw/zinc/24/52/61/1091245261.db2.gz HXLKMOITKWYPJD-UHFFFAOYSA-N 1 0 308.381 3.440 20 10 DGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001205588683 1091268191 /nfs/dbraw/zinc/26/81/91/1091268191.db2.gz BYKYMIVXIISRGV-QGZVFWFLSA-N 1 0 312.404 3.158 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](C)CC[C@@H]3CN)c2c1 ZINC001205842022 1091375044 /nfs/dbraw/zinc/37/50/44/1091375044.db2.gz MCDSCPSZOVBWGZ-DZGCQCFKSA-N 1 0 314.429 3.113 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)C[C@H]1CC1(C)C ZINC001139130660 1091459355 /nfs/dbraw/zinc/45/93/55/1091459355.db2.gz GXWHAFMFFBSPFF-GFCCVEGCSA-N 1 0 301.386 3.285 20 10 DGCDRO CC[C@@H]([NH3+])Cc1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001206161634 1091514579 /nfs/dbraw/zinc/51/45/79/1091514579.db2.gz KMHXRUDWUMDNLZ-OAHLLOKOSA-N 1 0 310.401 3.424 20 10 DGCDRO Cc1nc(C)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)s1 ZINC001206185407 1091526122 /nfs/dbraw/zinc/52/61/22/1091526122.db2.gz LWAILFZGQMFZBY-UHFFFAOYSA-N 1 0 304.415 3.120 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)[C@H]1COC(C)(C)O1 ZINC001206327432 1091582122 /nfs/dbraw/zinc/58/21/22/1091582122.db2.gz AURJTXMAHMKPKA-RLFYNMQTSA-N 1 0 320.477 3.122 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c(O)c1 ZINC001206403385 1091616725 /nfs/dbraw/zinc/61/67/25/1091616725.db2.gz QZCOGSKXXOIBGV-UHFFFAOYSA-N 1 0 307.296 3.312 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)ccc1N(C)C ZINC001139674606 1091639629 /nfs/dbraw/zinc/63/96/29/1091639629.db2.gz XQOCSZSKSDVLID-GOSISDBHSA-N 1 0 310.441 3.497 20 10 DGCDRO Cc1cc(C[N@@H+](C(C)C)C2CCN(C)CC2)ccc1N(C)C ZINC001139674202 1091639830 /nfs/dbraw/zinc/63/98/30/1091639830.db2.gz OZBLRNCDNYOUAY-UHFFFAOYSA-N 1 0 303.494 3.366 20 10 DGCDRO Cc1cc(C[N@H+](C)Cc2cccc3c2OCO3)ccc1N(C)C ZINC001139674208 1091639991 /nfs/dbraw/zinc/63/99/91/1091639991.db2.gz PBQAYEHUYQOHLM-UHFFFAOYSA-N 1 0 312.413 3.422 20 10 DGCDRO C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001206574162 1091675119 /nfs/dbraw/zinc/67/51/19/1091675119.db2.gz PVAPMUZKPQTZOF-OAHLLOKOSA-N 1 0 300.805 3.136 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2cccc3ccccc32)c1 ZINC001206619664 1091691940 /nfs/dbraw/zinc/69/19/40/1091691940.db2.gz FMJLKWUKAJYRDC-FQEVSTJZSA-N 1 0 323.392 3.377 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CS1 ZINC000691408575 1091738136 /nfs/dbraw/zinc/73/81/36/1091738136.db2.gz YVHRTESXWBTDJH-GZMMTYOYSA-N 1 0 302.237 3.138 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000691405428 1091739153 /nfs/dbraw/zinc/73/91/53/1091739153.db2.gz UNUXHTVQYFPQAI-LLVKDONJSA-N 1 0 314.223 3.061 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001140053232 1091750019 /nfs/dbraw/zinc/75/00/19/1091750019.db2.gz VYRUKVDHJVUNSD-UHFFFAOYSA-N 1 0 315.388 3.101 20 10 DGCDRO Cc1cc(F)ccc1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060256 1091754273 /nfs/dbraw/zinc/75/42/73/1091754273.db2.gz RISRERNIOYVUKB-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)nc1 ZINC001140182545 1091793479 /nfs/dbraw/zinc/79/34/79/1091793479.db2.gz UYMDDANFZWPSIW-UHFFFAOYSA-N 1 0 311.429 3.035 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1O ZINC001140182233 1091793518 /nfs/dbraw/zinc/79/35/18/1091793518.db2.gz LNBFRJBDOBNNHC-OALUTQOASA-N 1 0 322.452 3.468 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC001140282628 1091816046 /nfs/dbraw/zinc/81/60/46/1091816046.db2.gz GFAFNKCOJJNTQF-QZTJIDSGSA-N 1 0 314.473 3.270 20 10 DGCDRO CCC(CC)[N@H+](C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140306781 1091820172 /nfs/dbraw/zinc/82/01/72/1091820172.db2.gz XWZSDSUBLXPYSW-UHFFFAOYSA-N 1 0 303.494 3.449 20 10 DGCDRO CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C(C)C)cc2)CC1 ZINC001140306265 1091820797 /nfs/dbraw/zinc/82/07/97/1091820797.db2.gz QZXDNAXUMQHEQC-FQEVSTJZSA-N 1 0 315.505 3.449 20 10 DGCDRO Cc1cccnc1O[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342821 1091834810 /nfs/dbraw/zinc/83/48/10/1091834810.db2.gz ZMVAAEJIBYNEJX-ZDUSSCGKSA-N 1 0 318.804 3.402 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(O)CCCC(C)(C)CC2)c1 ZINC001207110750 1091847796 /nfs/dbraw/zinc/84/77/96/1091847796.db2.gz MKUKFJRUPRAMAK-GOSISDBHSA-N 1 0 307.434 3.212 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001140462472 1091876516 /nfs/dbraw/zinc/87/65/16/1091876516.db2.gz GYECMBCADKIUMQ-UHFFFAOYSA-N 1 0 316.832 3.363 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001140462201 1091876649 /nfs/dbraw/zinc/87/66/49/1091876649.db2.gz ABHVPJUTHSKIGW-UHFFFAOYSA-N 1 0 318.804 3.484 20 10 DGCDRO CC(C)c1nc(CC[N@H+](C)Cc2ccc(Cl)cc2O)no1 ZINC001140462253 1091877259 /nfs/dbraw/zinc/87/72/59/1091877259.db2.gz CFAFIAIWOKXCQC-UHFFFAOYSA-N 1 0 309.797 3.227 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140467302 1091879090 /nfs/dbraw/zinc/87/90/90/1091879090.db2.gz VIMQKVJBTRTVGM-GFCCVEGCSA-N 1 0 311.809 3.209 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC001140624078 1091936755 /nfs/dbraw/zinc/93/67/55/1091936755.db2.gz FKZAXAPMWXIQFO-QZTJIDSGSA-N 1 0 308.425 3.269 20 10 DGCDRO CCC[N@@H+](Cc1ccc(N2CCOCC2)cc1F)CC1CC1 ZINC001140662209 1091950090 /nfs/dbraw/zinc/95/00/90/1091950090.db2.gz IWDBPFMWBZRPAK-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3ncn(C)c3c2)cc1 ZINC001140740667 1091981171 /nfs/dbraw/zinc/98/11/71/1091981171.db2.gz VUOTVQKOMYWECT-UHFFFAOYSA-N 1 0 308.429 3.271 20 10 DGCDRO Cc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140746429 1091983776 /nfs/dbraw/zinc/98/37/76/1091983776.db2.gz YRLUCYDOUKDPRI-MRXNPFEDSA-N 1 0 313.397 3.368 20 10 DGCDRO Cc1c(O)ccc(C[NH+]2CCC(c3cccc(O)c3)CC2)c1O ZINC001140749526 1091985060 /nfs/dbraw/zinc/98/50/60/1091985060.db2.gz CTUDVKYZKIMMLX-UHFFFAOYSA-N 1 0 313.397 3.491 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)c(O)c1 ZINC001140856329 1092030107 /nfs/dbraw/zinc/03/01/07/1092030107.db2.gz XTGAVTYBOAZSJT-OAHLLOKOSA-N 1 0 304.434 3.039 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@](C)(O)c1cccc(F)c1 ZINC001207604915 1092040257 /nfs/dbraw/zinc/04/02/57/1092040257.db2.gz SBMPBEJNESAHPM-LJQANCHMSA-N 1 0 316.420 3.197 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001140921762 1092062189 /nfs/dbraw/zinc/06/21/89/1092062189.db2.gz OXHDJEULWBTTTL-WMLDXEAASA-N 1 0 308.853 3.407 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924713 1092064382 /nfs/dbraw/zinc/06/43/82/1092064382.db2.gz NMWYZYJOWAKXGJ-CYBMUJFWSA-N 1 0 324.852 3.181 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c(Cl)c1 ZINC001140926608 1092067304 /nfs/dbraw/zinc/06/73/04/1092067304.db2.gz PANSSDGKWQOEHU-OAHLLOKOSA-N 1 0 324.852 3.133 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c(Cl)c1 ZINC001140926193 1092067437 /nfs/dbraw/zinc/06/74/37/1092067437.db2.gz HZMVKXWQNHHPKB-QGZVFWFLSA-N 1 0 322.836 3.078 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(O)c1 ZINC001140950039 1092075809 /nfs/dbraw/zinc/07/58/09/1092075809.db2.gz RNLDRDSMPDOSAJ-HNNXBMFYSA-N 1 0 320.433 3.190 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)c(O)c1 ZINC001140951032 1092078287 /nfs/dbraw/zinc/07/82/87/1092078287.db2.gz VHLQRVIKQHTOCZ-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO CCc1nnc(C2CC[NH+](Cc3ccc(C)cc3O)CC2)o1 ZINC001140957692 1092081326 /nfs/dbraw/zinc/08/13/26/1092081326.db2.gz JMFYJRGKJUEKGT-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO CC[C@H](C)[C@H](C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)OC ZINC001207748263 1092088127 /nfs/dbraw/zinc/08/81/27/1092088127.db2.gz HXYQRFFGHPFTOB-IPELMVKDSA-N 1 0 321.509 3.006 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC3(CC(F)C3)CC2)c(OC)c1 ZINC001141026231 1092111093 /nfs/dbraw/zinc/11/10/93/1092111093.db2.gz IRTZSJCHURSGMR-UHFFFAOYSA-N 1 0 309.381 3.124 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@H]2c2cc(C)on2)c(OC)c1 ZINC001141032181 1092112462 /nfs/dbraw/zinc/11/24/62/1092112462.db2.gz VBTAVXVCWLYGTB-HNNXBMFYSA-N 1 0 318.373 3.043 20 10 DGCDRO C[C@]1(O)CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074212 1092128187 /nfs/dbraw/zinc/12/81/87/1092128187.db2.gz BHDJDRHOOYVWEZ-FQEVSTJZSA-N 1 0 314.473 3.122 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)[C@H](C)C1 ZINC001141079267 1092131014 /nfs/dbraw/zinc/13/10/14/1092131014.db2.gz ZPGLRYNLJGQNQL-DNVCBOLYSA-N 1 0 314.473 3.385 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H]3c3ccncc3)ccc21 ZINC001141143087 1092148227 /nfs/dbraw/zinc/14/82/27/1092148227.db2.gz MPAFQNUIKHKCPG-QGZVFWFLSA-N 1 0 309.413 3.247 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H]3c3ccccn3)ccc21 ZINC001141143247 1092148697 /nfs/dbraw/zinc/14/86/97/1092148697.db2.gz QUYDJIIMGYUFMO-KRWDZBQOSA-N 1 0 309.413 3.247 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)c1 ZINC001141158456 1092155965 /nfs/dbraw/zinc/15/59/65/1092155965.db2.gz AFRXNSFMXFGZFV-UHFFFAOYSA-N 1 0 317.429 3.269 20 10 DGCDRO Oc1cccc2c1C[N@H+](CC1(c3ccccc3)CCOCC1)CC2 ZINC001208234815 1092287513 /nfs/dbraw/zinc/28/75/13/1092287513.db2.gz TZGMIBYQVDSRGB-UHFFFAOYSA-N 1 0 323.436 3.499 20 10 DGCDRO CCN(CC[N@@H+]1CCc2cccc(O)c2C1)C(=O)OC(C)(C)C ZINC001208579598 1092405495 /nfs/dbraw/zinc/40/54/95/1092405495.db2.gz XKDFERZYEFJOTQ-UHFFFAOYSA-N 1 0 320.433 3.007 20 10 DGCDRO COc1ccc(N2CC[NH+](CCC3CCCC3)CC2)c(OC)c1 ZINC001208696073 1092461984 /nfs/dbraw/zinc/46/19/84/1092461984.db2.gz LBDLFTJZHUQTNX-UHFFFAOYSA-N 1 0 318.461 3.406 20 10 DGCDRO CC[N@H+](CCc1ccc(OC)c(OC)c1)Cc1ccccc1O ZINC001208761429 1092493549 /nfs/dbraw/zinc/49/35/49/1092493549.db2.gz VMWOTRORZIDIPG-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO CC(C)[N@H+](C)CC(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001142588571 1092507013 /nfs/dbraw/zinc/50/70/13/1092507013.db2.gz WLNCCVZOHVPAGY-UHFFFAOYSA-N 1 0 311.429 3.142 20 10 DGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110829 1092616693 /nfs/dbraw/zinc/61/66/93/1092616693.db2.gz QKYFWQQRISGIFE-LJQANCHMSA-N 1 0 319.445 3.465 20 10 DGCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110579 1092616703 /nfs/dbraw/zinc/61/67/03/1092616703.db2.gz JZOIANQOKQKTOX-AWEZNQCLSA-N 1 0 305.418 3.075 20 10 DGCDRO COC(=O)CC1C[NH+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209516664 1092805004 /nfs/dbraw/zinc/80/50/04/1092805004.db2.gz DJUJIAXDNWDBGX-UHFFFAOYSA-N 1 0 312.413 3.089 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+](C)CCc2noc(C)n2)cc1 ZINC001209516511 1092805522 /nfs/dbraw/zinc/80/55/22/1092805522.db2.gz JANZWHKGGHFMLI-UHFFFAOYSA-N 1 0 324.428 3.460 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001209519762 1092807742 /nfs/dbraw/zinc/80/77/42/1092807742.db2.gz HUHLPUNPJVVOKD-TZIWHRDSSA-N 1 0 323.484 3.478 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210214887 1093080763 /nfs/dbraw/zinc/08/07/63/1093080763.db2.gz BMLYTEHTXSNNJZ-MRXNPFEDSA-N 1 0 302.805 3.192 20 10 DGCDRO Cn1c[nH+]cc1Nc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001211252177 1093433698 /nfs/dbraw/zinc/43/36/98/1093433698.db2.gz DJDFUIOLOYACFD-UHFFFAOYSA-N 1 0 312.760 3.443 20 10 DGCDRO CC(C)C[NH+]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000301400935 1093633645 /nfs/dbraw/zinc/63/36/45/1093633645.db2.gz YLKUWKQPOMQYPU-UHFFFAOYSA-N 1 0 320.477 3.169 20 10 DGCDRO CC(C)C(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134883236 1094323359 /nfs/dbraw/zinc/32/33/59/1094323359.db2.gz ZLCYWWPYKTVTKS-QGZVFWFLSA-N 1 0 319.493 3.154 20 10 DGCDRO COc1ccc(C[NH+]2CC(c3ccc(F)cc3)C2)c(O)c1OC ZINC001120056785 1094365815 /nfs/dbraw/zinc/36/58/15/1094365815.db2.gz FEXKLNSWRVPDFN-UHFFFAOYSA-N 1 0 317.360 3.148 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]CCCC(F)(F)F)C2)cc1 ZINC001120058854 1094366533 /nfs/dbraw/zinc/36/65/33/1094366533.db2.gz YCQQMESRAKKJCW-CYBMUJFWSA-N 1 0 316.367 3.454 20 10 DGCDRO C[C@H]1[NH2+]CCC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217707410 1094478531 /nfs/dbraw/zinc/47/85/31/1094478531.db2.gz UFXBENRBMMSKBL-CZUORRHYSA-N 1 0 308.385 3.383 20 10 DGCDRO O=C1C=CC(=NNc2ccc(O[C@H]3C[NH2+]C[C@@H]3F)cc2)C=C1 ZINC001218017594 1094561678 /nfs/dbraw/zinc/56/16/78/1094561678.db2.gz UWSQOIUFGZBNQK-HOTGVXAUSA-N 1 0 301.321 3.496 20 10 DGCDRO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(N)cc1 ZINC001336287030 1094615767 /nfs/dbraw/zinc/61/57/67/1094615767.db2.gz WEQJBFPGOVPHKF-UHFFFAOYSA-N 1 0 311.429 3.346 20 10 DGCDRO CN(C)c1ccc(/N=N/c2ccccn2)c(O[C@H]2CC[NH2+]C2)c1 ZINC001218183135 1094646598 /nfs/dbraw/zinc/64/65/98/1094646598.db2.gz UUANYBUBTSCKAG-PXKHIBQASA-N 1 0 311.389 3.304 20 10 DGCDRO OCCc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001336874157 1094767702 /nfs/dbraw/zinc/76/77/02/1094767702.db2.gz PQZWCZDJPHZXNZ-UHFFFAOYSA-N 1 0 310.441 3.111 20 10 DGCDRO Nc1ccc(N(Cc2ccccc2)C(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001218954892 1094913335 /nfs/dbraw/zinc/91/33/35/1094913335.db2.gz GXSTVRVKBPJBPW-KRWDZBQOSA-N 1 0 323.440 3.192 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001136300194 1094979300 /nfs/dbraw/zinc/97/93/00/1094979300.db2.gz IUOVYLUTIXCIDK-QGZVFWFLSA-N 1 0 317.477 3.022 20 10 DGCDRO CN(C)c1cc[nH+]c(NCc2cc(Br)ccc2O)c1 ZINC001160019410 1095076654 /nfs/dbraw/zinc/07/66/54/1095076654.db2.gz IFXJGURUSWSTCB-UHFFFAOYSA-N 1 0 322.206 3.228 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CN2CCCCC2)cc1 ZINC000315660652 1095123726 /nfs/dbraw/zinc/12/37/26/1095123726.db2.gz ORKFZQBRQRXGKO-KRWDZBQOSA-N 1 0 303.494 3.497 20 10 DGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000315692375 1095128824 /nfs/dbraw/zinc/12/88/24/1095128824.db2.gz WZMCUYNALXMHEC-MDZRGWNJSA-N 1 0 302.462 3.438 20 10 DGCDRO CCOc1cccc(C[NH2+]CC2(O)CCC(C)(C)CC2)c1O ZINC000316415641 1095171680 /nfs/dbraw/zinc/17/16/80/1095171680.db2.gz ZRJYDAHNPHWMMQ-UHFFFAOYSA-N 1 0 307.434 3.212 20 10 DGCDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116032463 1095442095 /nfs/dbraw/zinc/44/20/95/1095442095.db2.gz JSZVZRUJCKWTJO-RTBURBONSA-N 1 0 301.478 3.249 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@@]3(CCC[NH2+]C3)C2)cc1Cl ZINC001222270984 1095522398 /nfs/dbraw/zinc/52/23/98/1095522398.db2.gz BOZCRPGQAXXSTE-QGZVFWFLSA-N 1 0 324.852 3.020 20 10 DGCDRO Oc1c(CN2CCC[C@@]3(CC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001222287531 1095531211 /nfs/dbraw/zinc/53/12/11/1095531211.db2.gz LOYMAFGELTUPPM-HXUWFJFHSA-N 1 0 308.425 3.387 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c(O)c1C ZINC001339285728 1095572673 /nfs/dbraw/zinc/57/26/73/1095572673.db2.gz BQMWJTCVDODKMX-WBVHZDCISA-N 1 0 321.461 3.085 20 10 DGCDRO Cc1cc(C[NH+]2CCC3(CC(F)(F)CO3)CC2)ccc1N(C)C ZINC001139670093 1095616998 /nfs/dbraw/zinc/61/69/98/1095616998.db2.gz HKCCUBMWAOPJGK-UHFFFAOYSA-N 1 0 324.415 3.451 20 10 DGCDRO Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc2c[nH+]cn21 ZINC001116660845 1095627193 /nfs/dbraw/zinc/62/71/93/1095627193.db2.gz AEABWNDLWCMSSR-CYBMUJFWSA-N 1 0 322.412 3.200 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1F ZINC001116843019 1095678468 /nfs/dbraw/zinc/67/84/68/1095678468.db2.gz QGVRBPFQCHGSMO-SFHVURJKSA-N 1 0 306.425 3.019 20 10 DGCDRO CC[C@@H]([NH2+]CCc1nc(C(C)C)no1)c1ccc(C)cc1O ZINC001116890073 1095692178 /nfs/dbraw/zinc/69/21/78/1095692178.db2.gz MXHPNCWAYABFCZ-CQSZACIVSA-N 1 0 303.406 3.490 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2c(F)cccc2F)c(O)c1 ZINC001144515050 1095699687 /nfs/dbraw/zinc/69/96/87/1095699687.db2.gz CODXBNHVRQVUJN-CQSZACIVSA-N 1 0 321.323 3.419 20 10 DGCDRO C[C@H]1CN(Cc2c(O)cccc2F)CC[N@@H+]1C1CCCCC1 ZINC001137841371 1095759709 /nfs/dbraw/zinc/75/97/09/1095759709.db2.gz BWSWHXFNKJCTGI-AWEZNQCLSA-N 1 0 306.425 3.370 20 10 DGCDRO Cc1cc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c(C)n1-c1ccccc1 ZINC001137854171 1095767407 /nfs/dbraw/zinc/76/74/07/1095767407.db2.gz LANSVDYJSABTQV-AEFFLSMTSA-N 1 0 316.420 3.246 20 10 DGCDRO Oc1c(F)cccc1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001138125527 1095893789 /nfs/dbraw/zinc/89/37/89/1095893789.db2.gz RNYXSEMMPXEICD-UHFFFAOYSA-N 1 0 318.436 3.372 20 10 DGCDRO [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001138127661 1095900119 /nfs/dbraw/zinc/90/01/19/1095900119.db2.gz KFFBTKCEFBOXDD-MRXNPFEDSA-N 1 0 306.425 3.372 20 10 DGCDRO [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001138127660 1095901624 /nfs/dbraw/zinc/90/16/24/1095901624.db2.gz KFFBTKCEFBOXDD-INIZCTEOSA-N 1 0 306.425 3.372 20 10 DGCDRO C[C@H]1CN(Cc2cccc(F)c2O)CC[N@@H+]1C1CCCCC1 ZINC001138132978 1095902527 /nfs/dbraw/zinc/90/25/27/1095902527.db2.gz YYTLSAVAJJMGPE-AWEZNQCLSA-N 1 0 306.425 3.370 20 10 DGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001117944980 1095907000 /nfs/dbraw/zinc/90/70/00/1095907000.db2.gz OCOMLPDPHLTRLA-MVGZEHJDSA-N 1 0 318.461 3.476 20 10 DGCDRO COc1cc(C[NH+]2CCC3(CCCCO3)CC2)c(O)cc1C ZINC001119333374 1096170142 /nfs/dbraw/zinc/17/01/42/1096170142.db2.gz RREBXGABSBQHNE-UHFFFAOYSA-N 1 0 305.418 3.244 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)COc2ccccc2F)c1O ZINC001119444051 1096200908 /nfs/dbraw/zinc/20/09/08/1096200908.db2.gz 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CCOC(=O)C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001173648693 1097491495 /nfs/dbraw/zinc/49/14/95/1097491495.db2.gz FLVCPBWCTUHLKC-GOEBONIOSA-N 1 0 305.418 3.215 20 10 DGCDRO Cc1c[nH+]ccc1Nc1ccc(C(=O)OC(C)(C)C)cc1O ZINC001174538840 1097748875 /nfs/dbraw/zinc/74/88/75/1097748875.db2.gz UBAQMTQSYWYECY-UHFFFAOYSA-N 1 0 300.358 3.216 20 10 DGCDRO Cc1cc(F)cc(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)c1O ZINC001277519924 1097751517 /nfs/dbraw/zinc/75/15/17/1097751517.db2.gz QWQYXIGFPROGIK-UHFFFAOYSA-N 1 0 318.436 3.290 20 10 DGCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1O ZINC001231555999 1097779221 /nfs/dbraw/zinc/77/92/21/1097779221.db2.gz WZFGWRHWJBCHMN-SKDRFNHKSA-N 1 0 312.207 3.148 20 10 DGCDRO COc1ccc(Br)c(C[N@H+](C)C(C)(C)C)c1O ZINC001231553161 1097779610 /nfs/dbraw/zinc/77/96/10/1097779610.db2.gz SAYXMVSTSNFMCT-UHFFFAOYSA-N 1 0 302.212 3.394 20 10 DGCDRO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)ccc2ccccc21 ZINC001231587244 1097785321 /nfs/dbraw/zinc/78/53/21/1097785321.db2.gz RQFQIKUBYHKFOZ-KUHUBIRLSA-N 1 0 311.381 3.073 20 10 DGCDRO CCC(=O)NC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231590369 1097785730 /nfs/dbraw/zinc/78/57/30/1097785730.db2.gz WQMSAVBEKXXLKO-UHFFFAOYSA-N 1 0 312.413 3.036 20 10 DGCDRO OC[C@@]1(F)CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231586468 1097786220 /nfs/dbraw/zinc/78/62/20/1097786220.db2.gz IHIYLSYVBHKQEI-GOSISDBHSA-N 1 0 303.377 3.232 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(c2cccnc2)CC1 ZINC001231588839 1097786235 /nfs/dbraw/zinc/78/62/35/1097786235.db2.gz VYUTYRIEVIXZRH-UHFFFAOYSA-N 1 0 319.408 3.263 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3ncccc3Cl)CC2)c1O ZINC001231594138 1097786803 /nfs/dbraw/zinc/78/68/03/1097786803.db2.gz UCSXUKJYAHGJDH-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO Cc1cccc(C[N@H+]2CCN(Cc3ccccc3)C[C@@H]2C)c1O ZINC001231593155 1097787326 /nfs/dbraw/zinc/78/73/26/1097787326.db2.gz PYBXPEJPOMUVMA-KRWDZBQOSA-N 1 0 310.441 3.407 20 10 DGCDRO COc1ccccc1O[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC001231593421 1097787517 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Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(O)c1 ZINC001231845656 1097861455 /nfs/dbraw/zinc/86/14/55/1097861455.db2.gz FCXLFXXUBVRBGB-OALUTQOASA-N 1 0 322.452 3.468 20 10 DGCDRO Cc1cc(C)c(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)c(O)c1 ZINC001231848680 1097864270 /nfs/dbraw/zinc/86/42/70/1097864270.db2.gz JIEJSKLHUHHFAA-UHFFFAOYSA-N 1 0 318.461 3.089 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001231853842 1097865158 /nfs/dbraw/zinc/86/51/58/1097865158.db2.gz RQYONKGNZNZHKA-LBPRGKRZSA-N 1 0 302.340 3.145 20 10 DGCDRO COc1cccc2c1CN(Cc1ccc(N(C)C)cc1OC)C2 ZINC001231854992 1097865893 /nfs/dbraw/zinc/86/58/93/1097865893.db2.gz NNLZSHKDDMKEHW-UHFFFAOYSA-N 1 0 312.413 3.286 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)cc1Cl ZINC001231871455 1097871180 /nfs/dbraw/zinc/87/11/80/1097871180.db2.gz KYQLNVDAGVNZNR-CYBMUJFWSA-N 1 0 311.809 3.081 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)[C@@H]1C ZINC001231870616 1097871806 /nfs/dbraw/zinc/87/18/06/1097871806.db2.gz MBFOOMYMVWPGJU-YPMHNXCESA-N 1 0 311.809 3.128 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cnccn2)cc1Cl ZINC001231870462 1097872345 /nfs/dbraw/zinc/87/23/45/1097872345.db2.gz CIGUIXIFYIKHIM-OAHLLOKOSA-N 1 0 303.793 3.481 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001231883727 1097878907 /nfs/dbraw/zinc/87/89/07/1097878907.db2.gz NTKPUOAYEYKUDH-OAHLLOKOSA-N 1 0 313.397 3.321 20 10 DGCDRO Cc1c[nH+]ccc1N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231913858 1097892360 /nfs/dbraw/zinc/89/23/60/1097892360.db2.gz UDQNAXXSMKYTGN-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO Oc1cc(O)c(C[NH+]2CCC(OC3CCC3)CC2)cc1Cl ZINC001232261209 1097984489 /nfs/dbraw/zinc/98/44/89/1097984489.db2.gz WUNCPUYMTDACMP-UHFFFAOYSA-N 1 0 311.809 3.285 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1Cl ZINC001232264072 1097985951 /nfs/dbraw/zinc/98/59/51/1097985951.db2.gz DUERTRKFVMRDDB-GFCCVEGCSA-N 1 0 318.804 3.439 20 10 DGCDRO COc1cc(O)c(CN2CCC([N@H+](C)C3CC3)CC2)cc1Cl ZINC001232269175 1097988047 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CN(C)c1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c(O)c1 ZINC001232833601 1098148208 /nfs/dbraw/zinc/14/82/08/1098148208.db2.gz BHIPABVNOKGHAU-AWEZNQCLSA-N 1 0 302.340 3.027 20 10 DGCDRO CCCCCC[NH+]1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232839687 1098149249 /nfs/dbraw/zinc/14/92/49/1098149249.db2.gz TXQBQTBKDPVFNL-UHFFFAOYSA-N 1 0 319.493 3.156 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCC(=O)c2ccccc2)c(O)c1 ZINC001232840101 1098150513 /nfs/dbraw/zinc/15/05/13/1098150513.db2.gz MYZFJXDLOUGFLY-UHFFFAOYSA-N 1 0 312.413 3.163 20 10 DGCDRO Oc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)cc(O)c1O ZINC001233010115 1098202059 /nfs/dbraw/zinc/20/20/59/1098202059.db2.gz LDYCETBZTSBPQK-UHFFFAOYSA-N 1 0 313.397 3.258 20 10 DGCDRO C[N@H+](Cc1cc(O)c(O)c(O)c1)C(C)(C)Cc1ccccc1 ZINC001233015498 1098204056 /nfs/dbraw/zinc/20/40/56/1098204056.db2.gz PVTDJPBONZXYGF-UHFFFAOYSA-N 1 0 301.386 3.257 20 10 DGCDRO CCOC(=O)c1c(C[NH+]2CCCCC2)c2ccccc2n1C ZINC001233270587 1098270375 /nfs/dbraw/zinc/27/03/75/1098270375.db2.gz SLGWTKGDNJIZFP-UHFFFAOYSA-N 1 0 300.402 3.341 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCN3CCCC[C@H]3C2)c1 ZINC001233286386 1098276313 /nfs/dbraw/zinc/27/63/13/1098276313.db2.gz RMMLIYGAXHFKAU-KRWDZBQOSA-N 1 0 302.462 3.360 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1 ZINC001233287294 1098276517 /nfs/dbraw/zinc/27/65/17/1098276517.db2.gz GWMPZFTUYDZXEO-CJNGLKHVSA-N 1 0 301.430 3.491 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c1O ZINC001233287740 1098277195 /nfs/dbraw/zinc/27/71/95/1098277195.db2.gz GAVBDKBNMNKFAO-NHYWBVRUSA-N 1 0 311.809 3.055 20 10 DGCDRO COc1cc(Cl)cc(CN2CCc3cc(O)ccc3C2)c1O ZINC001233288080 1098278440 /nfs/dbraw/zinc/27/84/40/1098278440.db2.gz UZKMYYLBAXBNIR-UHFFFAOYSA-N 1 0 319.788 3.318 20 10 DGCDRO C[C@@]1(O)CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451928 1098337664 /nfs/dbraw/zinc/33/76/64/1098337664.db2.gz DUZQHIPWQQXGHA-CQSZACIVSA-N 1 0 303.324 3.148 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC001233452202 1098337699 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CLLLVBQQDWXBQU-DLBZAZTESA-N 1 0 307.434 3.188 20 10 DGCDRO CCc1ccc(CN2CC[NH2+]C[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001236127313 1099415694 /nfs/dbraw/zinc/41/56/94/1099415694.db2.gz CNIGHNIDVQJMTQ-GOSISDBHSA-N 1 0 314.404 3.240 20 10 DGCDRO CCN(CC[NH3+])Cc1c(O)ccc2cc(Br)ccc21 ZINC001236143023 1099427808 /nfs/dbraw/zinc/42/78/08/1099427808.db2.gz DFRDCJYXZDJAAX-UHFFFAOYSA-N 1 0 323.234 3.089 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207160 1099464429 /nfs/dbraw/zinc/46/44/29/1099464429.db2.gz MQQMQAPSDDQPPX-IBGZPJMESA-N 1 0 301.478 3.251 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217153 1099474361 /nfs/dbraw/zinc/47/43/61/1099474361.db2.gz NCRZCIZUABCFRG-OALUTQOASA-N 1 0 301.478 3.379 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217154 1099474453 /nfs/dbraw/zinc/47/44/53/1099474453.db2.gz NCRZCIZUABCFRG-RBUKOAKNSA-N 1 0 301.478 3.379 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217152 1099474584 /nfs/dbraw/zinc/47/45/84/1099474584.db2.gz NCRZCIZUABCFRG-MOPGFXCFSA-N 1 0 301.478 3.379 20 10 DGCDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001236252928 1099503501 /nfs/dbraw/zinc/50/35/01/1099503501.db2.gz CPVMQOLFQQODID-FQEVSTJZSA-N 1 0 309.457 3.365 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCC(C)C)C2)cc1C ZINC001180887684 1099511989 /nfs/dbraw/zinc/51/19/89/1099511989.db2.gz CTPSUJZNXOCSGW-QGZVFWFLSA-N 1 0 318.461 3.130 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001236281025 1099517185 /nfs/dbraw/zinc/51/71/85/1099517185.db2.gz XVVOLNIWZHEJOT-LJQANCHMSA-N 1 0 311.473 3.145 20 10 DGCDRO Oc1ccccc1CN(Cc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC001236351216 1099548221 /nfs/dbraw/zinc/54/82/21/1099548221.db2.gz ATYNFABBBFCPFH-QGZVFWFLSA-N 1 0 314.404 3.286 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)cc1 ZINC001236414831 1099589651 /nfs/dbraw/zinc/58/96/51/1099589651.db2.gz MTEUXWVBWZVWFG-UHFFFAOYSA-N 1 0 321.468 3.367 20 10 DGCDRO CC(C)(C)C[N@H+](Cc1c([O-])cc(F)cc1F)C1CC[NH2+]CC1 ZINC001236458103 1099623450 /nfs/dbraw/zinc/62/34/50/1099623450.db2.gz UKZHZIAXCUFFPQ-UHFFFAOYSA-N 1 0 312.404 3.271 20 10 DGCDRO CC(C)N(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236468708 1099628288 /nfs/dbraw/zinc/62/82/88/1099628288.db2.gz KWZVPNJEMCNVMY-LJQANCHMSA-N 1 0 301.478 3.249 20 10 DGCDRO CC(C)N(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CC[NH2+]C1 ZINC001236527711 1099661943 /nfs/dbraw/zinc/66/19/43/1099661943.db2.gz AHTUSNDFVFQOJB-HNNXBMFYSA-N 1 0 316.445 3.149 20 10 DGCDRO CCOc1cccc(CN([C@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236647757 1099719743 /nfs/dbraw/zinc/71/97/43/1099719743.db2.gz MSNKZUJHBAJWGL-KRWDZBQOSA-N 1 0 318.461 3.288 20 10 DGCDRO COc1cc(C[NH+]2CCC(C)CC2)c(O)cc1Br ZINC001236746159 1099770364 /nfs/dbraw/zinc/77/03/64/1099770364.db2.gz UGGGJHRNJDQSOC-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO C[N@@H+](Cc1cc(O)c(Br)cc1O)C[C@@H]1CC1(C)C ZINC001236770678 1099771303 /nfs/dbraw/zinc/77/13/03/1099771303.db2.gz 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ZINC001236799067 1099793308 /nfs/dbraw/zinc/79/33/08/1099793308.db2.gz RBFINFNYTXHUGH-MEDUHNTESA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)c(Cl)c1 ZINC001236798903 1099793577 /nfs/dbraw/zinc/79/35/77/1099793577.db2.gz JKOSJVXMDXLRSR-ZDUSSCGKSA-N 1 0 318.804 3.439 20 10 DGCDRO COc1cc(O)c(CN2CCC([NH+]3CCCC3)CC2)c(Cl)c1 ZINC001236802124 1099797092 /nfs/dbraw/zinc/79/70/92/1099797092.db2.gz FRPSSAAJWDSYCQ-UHFFFAOYSA-N 1 0 324.852 3.114 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCC([NH+]2CCC2)CC1 ZINC001236803029 1099797188 /nfs/dbraw/zinc/79/71/88/1099797188.db2.gz LSRBJIUZIZOBLQ-UHFFFAOYSA-N 1 0 315.244 3.369 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCOC[C@H]2C2CCCCC2)c(O)c1 ZINC001236815263 1099802543 /nfs/dbraw/zinc/80/25/43/1099802543.db2.gz ILJZDLSAFORDHW-SFHVURJKSA-N 1 0 319.445 3.490 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c(O)c1 ZINC001236812336 1099803125 /nfs/dbraw/zinc/80/31/25/1099803125.db2.gz CIPZTHQOOAPDIE-HNNXBMFYSA-N 1 0 312.413 3.484 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC3(CCOC3(C)C)CC2)c(O)c1 ZINC001236816922 1099803343 /nfs/dbraw/zinc/80/33/43/1099803343.db2.gz YPFOTOMITNDFIW-UHFFFAOYSA-N 1 0 319.445 3.490 20 10 DGCDRO O=C1CCC[C@@]2(CCC[N@@H+](Cc3cc4ccccc4cc3O)C2)N1 ZINC001236833750 1099819392 /nfs/dbraw/zinc/81/93/92/1099819392.db2.gz YALUJDIKXGFKHG-FQEVSTJZSA-N 1 0 324.424 3.180 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236838301 1099824373 /nfs/dbraw/zinc/82/43/73/1099824373.db2.gz XQNMVGRDXOCHKJ-AWEZNQCLSA-N 1 0 313.397 3.321 20 10 DGCDRO CCC[N@H+](CCOC)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237051513 1099943791 /nfs/dbraw/zinc/94/37/91/1099943791.db2.gz MJROTYDMAIGQKC-UHFFFAOYSA-N 1 0 321.339 3.192 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC3(CC3)C2)c(Br)c1 ZINC001237065818 1099951961 /nfs/dbraw/zinc/95/19/61/1099951961.db2.gz RVMCZXLYPDZJEW-UHFFFAOYSA-N 1 0 312.207 3.149 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CC(C)C)c(Br)c1 ZINC001237062572 1099952738 /nfs/dbraw/zinc/95/27/38/1099952738.db2.gz MUZWAZPRWNGTTC-UHFFFAOYSA-N 1 0 302.212 3.251 20 10 DGCDRO CCC[N@H+](CC)Cc1c(O)cc(OC)cc1Br ZINC001237062825 1099953433 /nfs/dbraw/zinc/95/34/33/1099953433.db2.gz OTVDXFOANKZABZ-UHFFFAOYSA-N 1 0 302.212 3.395 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237062474 1099954129 /nfs/dbraw/zinc/95/41/29/1099954129.db2.gz PAWROCBBQSPFRL-MFKMUULPSA-N 1 0 301.308 3.318 20 10 DGCDRO C[NH+](C)C[C@@H]1CCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001237081900 1099961060 /nfs/dbraw/zinc/96/10/60/1099961060.db2.gz OLRUAOYTKRZQDC-JTQLQIEISA-N 1 0 303.233 3.225 20 10 DGCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237113693 1099976522 /nfs/dbraw/zinc/97/65/22/1099976522.db2.gz BYTVCSUOFPGFKD-CYBMUJFWSA-N 1 0 319.323 3.026 20 10 DGCDRO CCO[C@H]1CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237111083 1099976691 /nfs/dbraw/zinc/97/66/91/1099976691.db2.gz NQRVZXKPNQMDTR-NSHDSACASA-N 1 0 319.323 3.292 20 10 DGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001237131170 1099985872 /nfs/dbraw/zinc/98/58/72/1099985872.db2.gz UMXRGYJSSSGTDF-LBPRGKRZSA-N 1 0 322.767 3.233 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@@]1(C)O ZINC001237138074 1099990091 /nfs/dbraw/zinc/99/00/91/1099990091.db2.gz SVVIURHNAHPDLL-IINYFYTJSA-N 1 0 303.324 3.004 20 10 DGCDRO CC[N@H+](CCn1cccn1)Cc1cc(C(F)(F)F)ccc1O ZINC001237141025 1099993544 /nfs/dbraw/zinc/99/35/44/1099993544.db2.gz SDJHRSYTALZTMR-UHFFFAOYSA-N 1 0 313.323 3.130 20 10 DGCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237146248 1099996924 /nfs/dbraw/zinc/99/69/24/1099996924.db2.gz RXDCVUKYIMWTDF-CQSZACIVSA-N 1 0 314.351 3.080 20 10 DGCDRO COc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c([O-])c1Cl ZINC001237157247 1100008016 /nfs/dbraw/zinc/00/80/16/1100008016.db2.gz SHEHQGANYGCGOL-AWEZNQCLSA-N 1 0 324.852 3.161 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237162557 1100010677 /nfs/dbraw/zinc/01/06/77/1100010677.db2.gz XSODWAREEFFRHP-GFCCVEGCSA-N 1 0 312.816 3.291 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237410466 1100115600 /nfs/dbraw/zinc/11/56/00/1100115600.db2.gz DNHFJECEKCLCRB-GXFFZTMASA-N 1 0 315.244 3.273 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237410463 1100115808 /nfs/dbraw/zinc/11/58/08/1100115808.db2.gz DNHFJECEKCLCRB-GWCFXTLKSA-N 1 0 315.244 3.273 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237411230 1100116219 /nfs/dbraw/zinc/11/62/19/1100116219.db2.gz DQMVBULQVXYPLW-IINYFYTJSA-N 1 0 315.244 3.273 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001237487235 1100138877 /nfs/dbraw/zinc/13/88/77/1100138877.db2.gz HBXITDMVTNRVFO-UYAOXDASSA-N 1 0 322.452 3.407 20 10 DGCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1c(C)cccc1O)C2 ZINC001237485040 1100138896 /nfs/dbraw/zinc/13/88/96/1100138896.db2.gz LKGSFGDGQQLXBO-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO CC(=O)c1ccc(N2CC[NH+](Cc3c(C)cccc3O)CC2)cc1 ZINC001237486746 1100138946 /nfs/dbraw/zinc/13/89/46/1100138946.db2.gz CDTOCTYPYZNMMZ-UHFFFAOYSA-N 1 0 324.424 3.225 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2noc3ccccc32)CC1 ZINC001237481277 1100139763 /nfs/dbraw/zinc/13/97/63/1100139763.db2.gz FRPJBEOYZFZGCC-UHFFFAOYSA-N 1 0 323.396 3.164 20 10 DGCDRO Cc1cccc(O)c1C[N@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001237491297 1100143370 /nfs/dbraw/zinc/14/33/70/1100143370.db2.gz JQFAZLXRCUOQHX-UHFFFAOYSA-N 1 0 322.449 3.437 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001237493515 1100143706 /nfs/dbraw/zinc/14/37/06/1100143706.db2.gz ZBVPAJNOSIDQDT-AWEZNQCLSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237495606 1100144752 /nfs/dbraw/zinc/14/47/52/1100144752.db2.gz SWPTWYNWXNDKAN-CALCHBBNSA-N 1 0 308.425 3.269 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CC(C)(CNC(=O)OC(C)(C)C)C1 ZINC001237494247 1100145647 /nfs/dbraw/zinc/14/56/47/1100145647.db2.gz GOCHQOAQPHSCOR-UHFFFAOYSA-N 1 0 320.433 3.047 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001237494243 1100145978 /nfs/dbraw/zinc/14/59/78/1100145978.db2.gz GNTHTLDUJLLHFM-KGLIPLIRSA-N 1 0 320.433 3.188 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CC(C2COC2)C1 ZINC001237641150 1100200073 /nfs/dbraw/zinc/20/00/73/1100200073.db2.gz NEDNBPGMCBXZPL-UHFFFAOYSA-N 1 0 313.372 3.277 20 10 DGCDRO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237648292 1100204258 /nfs/dbraw/zinc/20/42/58/1100204258.db2.gz ZMECFSLQIHFQLJ-ROUUACIJSA-N 1 0 312.388 3.087 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccccc2OC)c(O)c(OC)c1 ZINC001237675722 1100210250 /nfs/dbraw/zinc/21/02/50/1100210250.db2.gz FLCHCGXRRWDUJZ-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(O)c(OC)c1 ZINC001237674699 1100210609 /nfs/dbraw/zinc/21/06/09/1100210609.db2.gz LOVADWHOOYCWRQ-MRXNPFEDSA-N 1 0 314.385 3.142 20 10 DGCDRO Cc1cc(O)c(CN2CCOCC2(C)C)cc1Br ZINC001237678659 1100212277 /nfs/dbraw/zinc/21/22/77/1100212277.db2.gz KRNWWYPZRQGZQC-UHFFFAOYSA-N 1 0 314.223 3.074 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c1O ZINC001237687172 1100215393 /nfs/dbraw/zinc/21/53/93/1100215393.db2.gz SZQJPWFROXCVSU-UHFFFAOYSA-N 1 0 324.852 3.078 20 10 DGCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237686802 1100215457 /nfs/dbraw/zinc/21/54/57/1100215457.db2.gz ONOYAPYXDINZIG-LBPRGKRZSA-N 1 0 311.809 3.129 20 10 DGCDRO CC[NH+](CC)C1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237937638 1100297820 /nfs/dbraw/zinc/29/78/20/1100297820.db2.gz SMUBCSUTYSPVOE-UHFFFAOYSA-N 1 0 314.832 3.491 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CCC([NH+]2CCCC2)CC1 ZINC001237940122 1100299302 /nfs/dbraw/zinc/29/93/02/1100299302.db2.gz BMQUKAOTEQOHMZ-UHFFFAOYSA-N 1 0 312.816 3.245 20 10 DGCDRO [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001205545183 1100353189 /nfs/dbraw/zinc/35/31/89/1100353189.db2.gz AEYRQSULVGTYNB-AWEZNQCLSA-N 1 0 321.223 3.352 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2COCC[C@H]2OC)cc1 ZINC001203829828 1101256532 /nfs/dbraw/zinc/25/65/32/1101256532.db2.gz IJCWHKDRWYFKNF-RTBURBONSA-N 1 0 320.477 3.207 20 10 DGCDRO Cn1ccc2c1cccc2-c1cncc([C@H]2C[NH+]3CCC2CC3)n1 ZINC001241822401 1101728260 /nfs/dbraw/zinc/72/82/60/1101728260.db2.gz TUZFCPVTNAXZEP-KRWDZBQOSA-N 1 0 318.424 3.445 20 10 DGCDRO CC(C)C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N(C)C ZINC001199144803 1102070651 /nfs/dbraw/zinc/07/06/51/1102070651.db2.gz WLLSORRLBYTGGG-UCFODXPJSA-N 1 0 303.494 3.332 20 10 DGCDRO OCc1ccc(CC[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001201654811 1102687732 /nfs/dbraw/zinc/68/77/32/1102687732.db2.gz JPCSGAGOGNSOMD-UHFFFAOYSA-N 1 0 310.441 3.111 20 10 DGCDRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001202135071 1102850127 /nfs/dbraw/zinc/85/01/27/1102850127.db2.gz MUMXZCIVOSYEQM-IBGZPJMESA-N 1 0 311.425 3.095 20 10 DGCDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001202281048 1102923738 /nfs/dbraw/zinc/92/37/38/1102923738.db2.gz RZZHQVMXIPDBCA-SFHVURJKSA-N 1 0 302.462 3.222 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000686281611 1103041496 /nfs/dbraw/zinc/04/14/96/1103041496.db2.gz VYSFQCFYPWEOKN-QWHCGFSZSA-N 1 0 320.433 3.298 20 10 DGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2c(O)cccc2Br)[C@H](C)O1 ZINC000686508366 1103048941 /nfs/dbraw/zinc/04/89/41/1103048941.db2.gz OPWAZFXGPXZZOC-VWYCJHECSA-N 1 0 314.223 3.058 20 10 DGCDRO C[C@]1(F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138496507 1103167809 /nfs/dbraw/zinc/16/78/09/1103167809.db2.gz RWLQXBYCOKGSEA-SFHVURJKSA-N 1 0 306.425 3.237 20 10 DGCDRO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001327253951 1103601645 /nfs/dbraw/zinc/60/16/45/1103601645.db2.gz IRCNKCKCWBLEIU-UHFFFAOYSA-N 1 0 303.494 3.497 20 10 DGCDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC001327841617 1103738645 /nfs/dbraw/zinc/73/86/45/1103738645.db2.gz OVQNUQKYIZEDDE-ZWNOBZJWSA-N 1 0 316.239 3.041 20 10 DGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1c(O)cccc1Br ZINC001329139430 1104167565 /nfs/dbraw/zinc/16/75/65/1104167565.db2.gz DYIKRMDAYWPEFZ-GHMZBOCLSA-N 1 0 316.239 3.041 20 10 DGCDRO COC(=O)c1cc2ccc(-c3ccc4c[nH+]cn4c3)cc2n1C ZINC001245897287 1104295098 /nfs/dbraw/zinc/29/50/98/1104295098.db2.gz XBTCYSPDOMITJQ-UHFFFAOYSA-N 1 0 305.337 3.280 20 10 DGCDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cccc1O ZINC001274302194 1104347107 /nfs/dbraw/zinc/34/71/07/1104347107.db2.gz XVJKVGHNZWLDJI-USXIJHARSA-N 1 0 316.445 3.064 20 10 DGCDRO Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]Cc2ccc(N)cc2)CCN1 ZINC001246169721 1104417297 /nfs/dbraw/zinc/41/72/97/1104417297.db2.gz JFXJXALBIGKRDS-IEBWSBKVSA-N 1 0 313.420 3.299 20 10 DGCDRO c1ccc(C[C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)CC[NH2+]2)cc1 ZINC001246199213 1104433635 /nfs/dbraw/zinc/43/36/35/1104433635.db2.gz KRYLOTLXBVNDDT-PMACEKPBSA-N 1 0 322.452 3.074 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1F ZINC001330090960 1104477571 /nfs/dbraw/zinc/47/75/71/1104477571.db2.gz GHJWNWIUBAREEV-PXAZEXFGSA-N 1 0 310.388 3.032 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC001330342565 1104541224 /nfs/dbraw/zinc/54/12/24/1104541224.db2.gz KDYZQCZMBKJPDW-ICSRJNTNSA-N 1 0 314.473 3.439 20 10 DGCDRO CC[C@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001330563285 1104577733 /nfs/dbraw/zinc/57/77/33/1104577733.db2.gz CWPLRKREZMEROE-JQFCIGGWSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001275204029 1104674057 /nfs/dbraw/zinc/67/40/57/1104674057.db2.gz CWPLRKREZMEROE-NVPAJSRCSA-N 1 0 318.461 3.034 20 10 DGCDRO C[N@@H+]1CCC[C@]2(CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC001275275318 1104700930 /nfs/dbraw/zinc/70/09/30/1104700930.db2.gz GWFUYIXXHWVXSJ-KRWDZBQOSA-N 1 0 308.853 3.353 20 10 DGCDRO Cc1ccc(C)c(CN2CC3(CC[N@@H+]3C3CCCC3)C2)c1O ZINC001275968600 1104971551 /nfs/dbraw/zinc/97/15/51/1104971551.db2.gz DUYPRUBSKSAOGL-UHFFFAOYSA-N 1 0 300.446 3.212 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[C@@H]([NH3+])C3)n2)cc1 ZINC001248309394 1105093842 /nfs/dbraw/zinc/09/38/42/1105093842.db2.gz WMABITKMNLIVQK-GASCZTMLSA-N 1 0 308.385 3.349 20 10 DGCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)c(O)c1 ZINC001249177737 1105241252 /nfs/dbraw/zinc/24/12/52/1105241252.db2.gz ILVIBCIFLMTUKH-UHFFFAOYSA-N 1 0 317.429 3.264 20 10 DGCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001249208535 1105247225 /nfs/dbraw/zinc/24/72/25/1105247225.db2.gz UZLBHLGGPIHPRZ-WBVHZDCISA-N 1 0 317.429 3.262 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)[C@H]1CO ZINC001249223610 1105249443 /nfs/dbraw/zinc/24/94/43/1105249443.db2.gz JRGGNYVHBDPGNV-BBRMVZONSA-N 1 0 317.429 3.169 20 10 DGCDRO COC[C@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249223311 1105250096 /nfs/dbraw/zinc/25/00/96/1105250096.db2.gz DGZXMGAVDYEILS-ZDUSSCGKSA-N 1 0 303.402 3.045 20 10 DGCDRO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249244973 1105256287 /nfs/dbraw/zinc/25/62/87/1105256287.db2.gz RSLZHLRWINQGLL-HNNXBMFYSA-N 1 0 316.445 3.102 20 10 DGCDRO CCC[NH+]1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249252165 1105256440 /nfs/dbraw/zinc/25/64/40/1105256440.db2.gz HILZWZYUBRFGLA-UHFFFAOYSA-N 1 0 316.445 3.104 20 10 DGCDRO COCC[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C(C)C ZINC001249244967 1105256503 /nfs/dbraw/zinc/25/65/03/1105256503.db2.gz RMYAPTVIIFZCDS-UHFFFAOYSA-N 1 0 305.418 3.433 20 10 DGCDRO CN(CC[NH+]1CCCC1)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252473 1105257630 /nfs/dbraw/zinc/25/76/30/1105257630.db2.gz LCQIHKASRIKFBC-UHFFFAOYSA-N 1 0 316.445 3.104 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@@H](CCO)C3)ccc2O1 ZINC001249252831 1105257816 /nfs/dbraw/zinc/25/78/16/1105257816.db2.gz WSDIJDNPSQTXHC-AWEZNQCLSA-N 1 0 317.429 3.171 20 10 DGCDRO Cc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)c1C ZINC001249340231 1105271116 /nfs/dbraw/zinc/27/11/16/1105271116.db2.gz XKHFWYIOODHFKG-OAHLLOKOSA-N 1 0 309.369 3.302 20 10 DGCDRO Cc1cc(C[NH+]2CCC(F)CC2)c(O)cc1Br ZINC001250120993 1105446502 /nfs/dbraw/zinc/44/65/02/1105446502.db2.gz XOALIUJKIPYWCS-UHFFFAOYSA-N 1 0 302.187 3.397 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(O)cc1Br ZINC001250132786 1105450266 /nfs/dbraw/zinc/45/02/66/1105450266.db2.gz FIWLVIPXYLSQPG-GAFUQQFSSA-N 1 0 314.198 3.395 20 10 DGCDRO Cc1ccc(F)c2nc(-c3ccc(N4CC[NH+](C)CC4)cc3)[nH]c21 ZINC001250773667 1105580703 /nfs/dbraw/zinc/58/07/03/1105580703.db2.gz VSBCSOWPHMZFAE-UHFFFAOYSA-N 1 0 324.403 3.429 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@@H](O)COC(C)C ZINC001252702107 1105818948 /nfs/dbraw/zinc/81/89/48/1105818948.db2.gz KIQMJAZQROMMJL-KDOFPFPSSA-N 1 0 321.461 3.008 20 10 DGCDRO CC[C@H](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001491441024 1105828057 /nfs/dbraw/zinc/82/80/57/1105828057.db2.gz IFSLILXCLHYHBC-ZFWWWQNUSA-N 1 0 306.450 3.034 20 10 DGCDRO C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001254504331 1106085099 /nfs/dbraw/zinc/08/50/99/1106085099.db2.gz UEAUJQWPLJAQFV-ZDUSSCGKSA-N 1 0 319.836 3.168 20 10 DGCDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)CCO2 ZINC001254538409 1106098358 /nfs/dbraw/zinc/09/83/58/1106098358.db2.gz UOMRQZTXVWNEOQ-CYBMUJFWSA-N 1 0 312.369 3.251 20 10 DGCDRO Cc1cc(C)c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC001255105611 1106180897 /nfs/dbraw/zinc/18/08/97/1106180897.db2.gz ZKDVGZYRCITPKJ-SFHVURJKSA-N 1 0 310.441 3.373 20 10 DGCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C2 ZINC001255182337 1106201353 /nfs/dbraw/zinc/20/13/53/1106201353.db2.gz DTTLVPZUQCXXCG-XQLPTFJDSA-N 1 0 318.417 3.195 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@H]([N@H+](CC)Cc2ccccc2O)C1 ZINC001255368052 1106233423 /nfs/dbraw/zinc/23/34/23/1106233423.db2.gz COBDBTGIMHJFLC-ZBFHGGJFSA-N 1 0 305.418 3.336 20 10 DGCDRO CC[NH+](CC)CCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965842 1106517512 /nfs/dbraw/zinc/51/75/12/1106517512.db2.gz LEHJXYMKCVLGHS-UHFFFAOYSA-N 1 0 310.401 3.412 20 10 DGCDRO COC(=O)CC1CCC([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001256990652 1106521833 /nfs/dbraw/zinc/52/18/33/1106521833.db2.gz KWMCATMQEFNACZ-UHFFFAOYSA-N 1 0 318.461 3.306 20 10 DGCDRO CCOC(=O)CC1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001258024283 1106660999 /nfs/dbraw/zinc/66/09/99/1106660999.db2.gz VCPIEFVTECIYSX-UHFFFAOYSA-N 1 0 317.429 3.223 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H](C)CCSC)CC2)cc1 ZINC001258224686 1106701922 /nfs/dbraw/zinc/70/19/22/1106701922.db2.gz PXHLUOVIHFENGY-OAHLLOKOSA-N 1 0 308.491 3.349 20 10 DGCDRO Oc1ccccc1C[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258411623 1106735797 /nfs/dbraw/zinc/73/57/97/1106735797.db2.gz HHXYGWOQOHLNSH-UHFFFAOYSA-N 1 0 300.377 3.290 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001319973219 1106749008 /nfs/dbraw/zinc/74/90/08/1106749008.db2.gz QZTUPCDMJBATMM-SFHVURJKSA-N 1 0 324.424 3.095 20 10 DGCDRO CN(Cc1cccc2c[nH]nc21)c1ccc(OCC[NH+](C)C)cc1 ZINC001320183530 1106919235 /nfs/dbraw/zinc/91/92/35/1106919235.db2.gz MLTQUKGFWBUCBC-UHFFFAOYSA-N 1 0 324.428 3.140 20 10 DGCDRO CNC(=O)C1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001320249379 1106938605 /nfs/dbraw/zinc/93/86/05/1106938605.db2.gz YJCUZDKUWFVNMD-XSCHDIRWSA-N 1 0 316.445 3.143 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c(OC)c1 ZINC001258826868 1107007951 /nfs/dbraw/zinc/00/79/51/1107007951.db2.gz FDZIJENHNYMUAS-HZPDHXFCSA-N 1 0 318.461 3.405 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c(OC)c1 ZINC001258826867 1107009240 /nfs/dbraw/zinc/00/92/40/1107009240.db2.gz FDZIJENHNYMUAS-HOTGVXAUSA-N 1 0 318.461 3.405 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C(=O)OC)cc1F ZINC001320835706 1107155743 /nfs/dbraw/zinc/15/57/43/1107155743.db2.gz AWVIFZWBQTYKFZ-GDBMZVCRSA-N 1 0 322.424 3.103 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](CO)CC(F)(F)F ZINC001321037647 1107230197 /nfs/dbraw/zinc/23/01/97/1107230197.db2.gz PVOARIQGWPCXDV-GMTAPVOTSA-N 1 0 303.324 3.152 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C)n(C)c1=O ZINC001321348802 1107328611 /nfs/dbraw/zinc/32/86/11/1107328611.db2.gz SUNDKZCVQVMJIM-DOMZBBRYSA-N 1 0 312.413 3.046 20 10 DGCDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001474664984 1107514096 /nfs/dbraw/zinc/51/40/96/1107514096.db2.gz NFBUVCOPQJAXFT-UGSOOPFHSA-N 1 0 305.418 3.147 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1ccc(C)cc1O ZINC001322454776 1107678339 /nfs/dbraw/zinc/67/83/39/1107678339.db2.gz FKJGBCQFCXLRLC-SJLPKXTDSA-N 1 0 321.461 3.167 20 10 DGCDRO CC[C@H](CNC(=O)C1CC(C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318511868 1108070368 /nfs/dbraw/zinc/07/03/68/1108070368.db2.gz LKLMCNYSNGQBLO-QWFMPGPPSA-N 1 0 318.461 3.034 20 10 DGCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC001324621894 1108380461 /nfs/dbraw/zinc/38/04/61/1108380461.db2.gz DKJPTOQLIKSPPJ-LJQANCHMSA-N 1 0 310.445 3.239 20 10 DGCDRO CC(C)[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCC1 ZINC001324745908 1108450303 /nfs/dbraw/zinc/45/03/03/1108450303.db2.gz GSMXWXGLSLARAW-UHFFFAOYSA-N 1 0 319.468 3.340 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1c(C)c(C)n[nH]c1=O ZINC001325356453 1108630902 /nfs/dbraw/zinc/63/09/02/1108630902.db2.gz KVGMQPZERFDJCO-YGRLFVJLSA-N 1 0 313.401 3.151 20 10 DGCDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001319797783 1108638810 /nfs/dbraw/zinc/63/88/10/1108638810.db2.gz RZCAXXTUMILDPA-IYBDPMFKSA-N 1 0 319.468 3.055 20 10 DGCDRO CC[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](C)C(C)C ZINC001319815697 1108648058 /nfs/dbraw/zinc/64/80/58/1108648058.db2.gz LSXXKPLWPSGUBH-MRXNPFEDSA-N 1 0 321.484 3.444 20 10 DGCDRO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC001319858660 1108666545 /nfs/dbraw/zinc/66/65/45/1108666545.db2.gz IPLFZJFEDLQVPT-MRXNPFEDSA-N 1 0 317.477 3.100 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2CC(C)C2)cc1C ZINC001281702246 1109397755 /nfs/dbraw/zinc/39/77/55/1109397755.db2.gz BGWMNLYNBOSURJ-GULBITTBSA-N 1 0 318.461 3.034 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)c2cccnc2)ccc1OC ZINC001308188306 1111393160 /nfs/dbraw/zinc/39/31/60/1111393160.db2.gz OSOLSVVWYQXMIE-CQSZACIVSA-N 1 0 300.402 3.478 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H](C)N2CCCCC2)ccc1OC ZINC001308218159 1111400032 /nfs/dbraw/zinc/40/00/32/1111400032.db2.gz VJUAXEKSEHHPTN-MRXNPFEDSA-N 1 0 320.477 3.196 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cn4ccccc4n3)ccc21 ZINC001308230286 1111401558 /nfs/dbraw/zinc/40/15/58/1111401558.db2.gz YGBMUGDAGNAXOR-UHFFFAOYSA-N 1 0 306.413 3.007 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(O)CCCCCC2)cc1 ZINC001308279010 1111409824 /nfs/dbraw/zinc/40/98/24/1111409824.db2.gz INXISGYTJXMSKI-FPLPWBNLSA-N 1 0 302.462 3.441 20 10 DGCDRO COCC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCC1 ZINC001308435353 1111428558 /nfs/dbraw/zinc/42/85/58/1111428558.db2.gz BDMZERFMFFVESB-UHFFFAOYSA-N 1 0 312.404 3.327 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC001308439147 1111428932 /nfs/dbraw/zinc/42/89/32/1111428932.db2.gz KFRBCNWICAUAPY-PUZFROQSSA-N 1 0 310.441 3.326 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC001308442005 1111429279 /nfs/dbraw/zinc/42/92/79/1111429279.db2.gz RZMJPSYYKHUISE-GFCCVEGCSA-N 1 0 319.788 3.365 20 10 DGCDRO COC(=O)[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)CC(C)C ZINC001308793775 1111475969 /nfs/dbraw/zinc/47/59/69/1111475969.db2.gz HBEOOBHQYXZDSD-LXXRFIIISA-N 1 0 318.461 3.191 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4CCC[C@H]34)cc2)CC1 ZINC001308877860 1111487894 /nfs/dbraw/zinc/48/78/94/1111487894.db2.gz YBZGWAJFIXFRSN-FFZOFVMBSA-N 1 0 314.473 3.316 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C2(CO)CCCCCCC2)c1O ZINC001308905313 1111491069 /nfs/dbraw/zinc/49/10/69/1111491069.db2.gz GHECMNCVQXOTEJ-UHFFFAOYSA-N 1 0 307.434 3.274 20 10 DGCDRO COC(=O)C[C@](C)([NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC001308908102 1111492253 /nfs/dbraw/zinc/49/22/53/1111492253.db2.gz WMBDLUUJGMPVQC-VOFKWLDRSA-N 1 0 316.445 3.087 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCC23CCC3)N(C)C)cc1 ZINC001308973076 1111502141 /nfs/dbraw/zinc/50/21/41/1111502141.db2.gz UMZZGSJUFWOENY-MSOLQXFVSA-N 1 0 301.478 3.278 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(C)c(C)cc2O)cc1O ZINC000092404940 185316675 /nfs/dbraw/zinc/31/66/75/185316675.db2.gz REDIQYLIVVZFFS-UHFFFAOYSA-N 1 0 301.386 3.355 20 10 DGCDRO COc1cccc(C[NH+]2CCC(OC3CCCC3)CC2)c1O ZINC000092758907 185338786 /nfs/dbraw/zinc/33/87/86/185338786.db2.gz LUMXAPLCGWHFCM-UHFFFAOYSA-N 1 0 305.418 3.324 20 10 DGCDRO COc1cccc([C@@H](C[NH2+]Cc2cc(C)ccc2O)N(C)C)c1 ZINC000103854801 432013077 /nfs/dbraw/zinc/01/30/77/432013077.db2.gz GHQLHWONVAWIMN-GOSISDBHSA-N 1 0 314.429 3.102 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000066970230 432024525 /nfs/dbraw/zinc/02/45/25/432024525.db2.gz GHFQYVNHILYIFQ-CQSZACIVSA-N 1 0 318.392 3.415 20 10 DGCDRO Cn1cc(C[N@H+](C)Cc2ccccc2O)c(-c2cccs2)n1 ZINC000179770604 432070633 /nfs/dbraw/zinc/07/06/33/432070633.db2.gz XCAAFSFPGRANTN-UHFFFAOYSA-N 1 0 313.426 3.486 20 10 DGCDRO COC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093337315 193234301 /nfs/dbraw/zinc/23/43/01/193234301.db2.gz BZTOVPMINLCGCR-LLVKDONJSA-N 1 0 314.223 3.013 20 10 DGCDRO C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000093413076 193245440 /nfs/dbraw/zinc/24/54/40/193245440.db2.gz VJQVJWPHKKCARB-KRWDZBQOSA-N 1 0 324.472 3.026 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)COC)c1cc(Br)ccc1O ZINC000019904825 182162462 /nfs/dbraw/zinc/16/24/62/182162462.db2.gz QMQMBBCPZUBVPU-JOYOIKCWSA-N 1 0 302.212 3.230 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)cc1 ZINC000021795469 182289590 /nfs/dbraw/zinc/28/95/90/182289590.db2.gz VWBBCWRRTPWHHM-INIZCTEOSA-N 1 0 303.475 3.207 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)ccc1OC ZINC000268988075 432147836 /nfs/dbraw/zinc/14/78/36/432147836.db2.gz UPIGKOZYEZHIQO-KRWDZBQOSA-N 1 0 319.445 3.423 20 10 DGCDRO Cc1ccc(O)c(CNc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000103855670 193961434 /nfs/dbraw/zinc/96/14/34/193961434.db2.gz VFYDVYVMFARWAL-UHFFFAOYSA-N 1 0 300.402 3.253 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCc3sccc31)OCO2 ZINC000061360342 285382093 /nfs/dbraw/zinc/38/20/93/285382093.db2.gz RBNJPBOPEWNCPT-GFCCVEGCSA-N 1 0 303.383 3.350 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCN(c3ccccc3)C1)CC2 ZINC000295989344 285396814 /nfs/dbraw/zinc/39/68/14/285396814.db2.gz NPYWSVLNKVUKAC-QAPCUYQASA-N 1 0 308.425 3.496 20 10 DGCDRO C[C@@H](CC[NH2+][C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000183595926 533610977 /nfs/dbraw/zinc/61/09/77/533610977.db2.gz GDMVJPPDWYPCAY-STQMWFEESA-N 1 0 308.422 3.346 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272742561 130059916 /nfs/dbraw/zinc/05/99/16/130059916.db2.gz BFSUCUKWTQXJHO-WMZOPIPTSA-N 1 0 315.505 3.495 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc2c(c1)CC(=O)N2C ZINC000272827773 130067779 /nfs/dbraw/zinc/06/77/79/130067779.db2.gz HCCOOFAFPZWKDX-CHWSQXEVSA-N 1 0 310.397 3.323 20 10 DGCDRO CCOCc1cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)ccc1OC ZINC000273167532 130094494 /nfs/dbraw/zinc/09/44/94/130094494.db2.gz VFRKSPMSIJHTHJ-RBUKOAKNSA-N 1 0 319.445 3.279 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1 ZINC000273297295 130103987 /nfs/dbraw/zinc/10/39/87/130103987.db2.gz AKABCRSSKRIWLK-BLLLJJGKSA-N 1 0 320.458 3.416 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1O ZINC000273364754 130112418 /nfs/dbraw/zinc/11/24/18/130112418.db2.gz DTRIFRGBBUNJSX-JSGCOSHPSA-N 1 0 321.367 3.172 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c(O)c1 ZINC000273376961 130113810 /nfs/dbraw/zinc/11/38/10/130113810.db2.gz HIXWYZRBSDWBMR-OAHLLOKOSA-N 1 0 322.412 3.191 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000273386994 130115669 /nfs/dbraw/zinc/11/56/69/130115669.db2.gz JSVCRSXJYIQCBU-ZBFHGGJFSA-N 1 0 317.404 3.342 20 10 DGCDRO Cc1nccn1CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273564543 130136754 /nfs/dbraw/zinc/13/67/54/130136754.db2.gz JBFATDUBZMAUSR-JTQLQIEISA-N 1 0 324.222 3.010 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000273742787 130160536 /nfs/dbraw/zinc/16/05/36/130160536.db2.gz LZNNNLBFGIQPKJ-KGLIPLIRSA-N 1 0 313.825 3.347 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1O ZINC000273750087 130162423 /nfs/dbraw/zinc/16/24/23/130162423.db2.gz NGVXDQDOALNZFV-UHFFFAOYSA-N 1 0 321.808 3.157 20 10 DGCDRO C[N@H+](CCc1cnccn1)Cc1ccc(N2CCCCC2)cc1 ZINC000273761726 130163373 /nfs/dbraw/zinc/16/33/73/130163373.db2.gz PEFHECKFRWHRBY-UHFFFAOYSA-N 1 0 310.445 3.141 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)c(O)c1C ZINC000274375215 130229511 /nfs/dbraw/zinc/22/95/11/130229511.db2.gz LPVCIXYGBFHTNH-ZDUSSCGKSA-N 1 0 317.458 3.205 20 10 DGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)ccc1O)CCO2 ZINC000274377011 130230095 /nfs/dbraw/zinc/23/00/95/130230095.db2.gz FKVNTWYRTBBGHI-HNNXBMFYSA-N 1 0 303.333 3.153 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)C)c(O)c1 ZINC000275380786 130310547 /nfs/dbraw/zinc/31/05/47/130310547.db2.gz YPKNVNKJYFRTSF-CRAIPNDOSA-N 1 0 307.434 3.332 20 10 DGCDRO CC(C)CCC[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000275646287 130352879 /nfs/dbraw/zinc/35/28/79/130352879.db2.gz CCSZYJLDQXEOLM-UHFFFAOYSA-N 1 0 304.478 3.421 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCC34CCC4)cc2F)CC1 ZINC000282253215 130909820 /nfs/dbraw/zinc/90/98/20/130909820.db2.gz QMCFPUKMYUKTHG-SFHVURJKSA-N 1 0 318.436 3.209 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN(C)CC(F)(F)F)c(O)c1 ZINC000284167113 131054387 /nfs/dbraw/zinc/05/43/87/131054387.db2.gz QFQAAPXVHNOSSC-LBPRGKRZSA-N 1 0 304.356 3.154 20 10 DGCDRO CCC[C@@]1([NH2+]Cc2ccc(OC)c(COCC)c2)CCOC1 ZINC000285553164 131180010 /nfs/dbraw/zinc/18/00/10/131180010.db2.gz QXALMJJJYNPXHD-GOSISDBHSA-N 1 0 307.434 3.281 20 10 DGCDRO CSCc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000285651278 131189624 /nfs/dbraw/zinc/18/96/24/131189624.db2.gz ZZMPVCUQYBWEMM-UHFFFAOYSA-N 1 0 317.410 3.274 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(N2CCCCC2)cc1 ZINC000287415183 131278684 /nfs/dbraw/zinc/27/86/84/131278684.db2.gz RUWUTCYUAIPNMN-INIZCTEOSA-N 1 0 320.477 3.115 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000366659326 131313010 /nfs/dbraw/zinc/31/30/10/131313010.db2.gz XGJIJNXLDZUUSW-OLZOCXBDSA-N 1 0 323.820 3.107 20 10 DGCDRO CCOCc1cc(C[NH2+]CC(C)(C)COCC)ccc1OC ZINC000288471952 131326596 /nfs/dbraw/zinc/32/65/96/131326596.db2.gz FVIJDGXXGDYOPA-UHFFFAOYSA-N 1 0 309.450 3.384 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+]2CCC3(CC(OCC)C3)C2)c1 ZINC000289266566 131370356 /nfs/dbraw/zinc/37/03/56/131370356.db2.gz FZUMWYFJSRFFMV-UHFFFAOYSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)c1O ZINC000289489834 131390949 /nfs/dbraw/zinc/39/09/49/131390949.db2.gz RKISKOFNWNANNT-UHFFFAOYSA-N 1 0 313.397 3.404 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)c1O ZINC000289539792 131394574 /nfs/dbraw/zinc/39/45/74/131394574.db2.gz WSNHSJKODMROEL-UHFFFAOYSA-N 1 0 317.433 3.259 20 10 DGCDRO COCCCOc1ccc(C[NH2+]Cc2cccc(C)c2O)cc1 ZINC000289577804 131396858 /nfs/dbraw/zinc/39/68/58/131396858.db2.gz SXVYEEYVKUYADZ-UHFFFAOYSA-N 1 0 315.413 3.406 20 10 DGCDRO CC(C)CC(=O)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297613703 132025297 /nfs/dbraw/zinc/02/52/97/132025297.db2.gz IPOACQGZUGFTJN-INIZCTEOSA-N 1 0 316.445 3.006 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc1 ZINC000298707822 132074971 /nfs/dbraw/zinc/07/49/71/132074971.db2.gz JKHXJJDTQOJTBA-UHFFFAOYSA-N 1 0 323.440 3.016 20 10 DGCDRO C[C@H]([NH2+]Cc1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551047 134648046 /nfs/dbraw/zinc/64/80/46/134648046.db2.gz BCHACZIRLAQLEK-ZDUSSCGKSA-N 1 0 304.365 3.106 20 10 DGCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000093360737 400242607 /nfs/dbraw/zinc/24/26/07/400242607.db2.gz QZNOKCZCGOQHLR-KRWDZBQOSA-N 1 0 324.424 3.017 20 10 DGCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(C)c(C)cc2O)cc1 ZINC000093415462 400246360 /nfs/dbraw/zinc/24/63/60/400246360.db2.gz HCOKZZMAFAKCNA-SFHVURJKSA-N 1 0 315.413 3.183 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCSC2)c1O ZINC000384084577 685169123 /nfs/dbraw/zinc/16/91/23/685169123.db2.gz APYLIBMWTFSAEP-JTQLQIEISA-N 1 0 301.839 3.287 20 10 DGCDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000269070735 432154006 /nfs/dbraw/zinc/15/40/06/432154006.db2.gz ZZHMNKSJZJXTKF-NEPJUHHUSA-N 1 0 304.356 3.371 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c(O)c1C ZINC000297390220 227103957 /nfs/dbraw/zinc/10/39/57/227103957.db2.gz RSTQKNYNZOGKHM-PBHICJAKSA-N 1 0 317.404 3.402 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1[N+](=O)[O-] ZINC000297634534 227396153 /nfs/dbraw/zinc/39/61/53/227396153.db2.gz JJVAVKVLQNRJFQ-CYBMUJFWSA-N 1 0 314.341 3.086 20 10 DGCDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000182090165 228367026 /nfs/dbraw/zinc/36/70/26/228367026.db2.gz KRFNRGDKDVQHRG-ZDUSSCGKSA-N 1 0 319.836 3.234 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc2nccn21 ZINC000355129217 229304448 /nfs/dbraw/zinc/30/44/48/229304448.db2.gz WHSYMFXPQYJOGJ-UHFFFAOYSA-N 1 0 304.397 3.424 20 10 DGCDRO Oc1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000289243201 275061691 /nfs/dbraw/zinc/06/16/91/275061691.db2.gz DTZSPRUOOBQYOT-CEXWTWQISA-N 1 0 309.409 3.397 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000280066688 276883409 /nfs/dbraw/zinc/88/34/09/276883409.db2.gz XHHYMUVVHYTAQQ-CYBMUJFWSA-N 1 0 302.340 3.040 20 10 DGCDRO CC[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 ZINC000161771376 288034685 /nfs/dbraw/zinc/03/46/85/288034685.db2.gz CCAGNMLCGXPNHB-SFHVURJKSA-N 1 0 318.461 3.479 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000374527099 288071827 /nfs/dbraw/zinc/07/18/27/288071827.db2.gz NUMPGFNRBXNERQ-NZSAHSFTSA-N 1 0 318.461 3.131 20 10 DGCDRO COc1cccc(C[NH2+]C2(c3nccs3)CCCC2)c1O ZINC000116374243 431506467 /nfs/dbraw/zinc/50/64/67/431506467.db2.gz RCTXQDDCLCSPEP-UHFFFAOYSA-N 1 0 304.415 3.416 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358993260 280269981 /nfs/dbraw/zinc/26/99/81/280269981.db2.gz AVDRKSSNYHZLMS-INIZCTEOSA-N 1 0 308.429 3.387 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000093705155 431917537 /nfs/dbraw/zinc/91/75/37/431917537.db2.gz KNHFIOFDXSQETF-UHFFFAOYSA-N 1 0 319.445 3.430 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)CCCO)c1cc(Br)ccc1O ZINC000094942159 431920413 /nfs/dbraw/zinc/92/04/13/431920413.db2.gz NHSOQRQQGJKQRB-GXFFZTMASA-N 1 0 316.239 3.356 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)CCCO)c1cc(Br)ccc1O ZINC000094942158 431920727 /nfs/dbraw/zinc/92/07/27/431920727.db2.gz NHSOQRQQGJKQRB-GWCFXTLKSA-N 1 0 316.239 3.356 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090846199 431895648 /nfs/dbraw/zinc/89/56/48/431895648.db2.gz QVCQOQWOIZCCCP-CQSZACIVSA-N 1 0 314.477 3.462 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000126059975 431940860 /nfs/dbraw/zinc/94/08/60/431940860.db2.gz SAOYEQVDTKLEGC-QZTJIDSGSA-N 1 0 311.429 3.020 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](C)CCO)c1cc(Br)ccc1O ZINC000097439469 431969245 /nfs/dbraw/zinc/96/92/45/431969245.db2.gz OOKWEVKXIKGQBE-GXFFZTMASA-N 1 0 316.239 3.214 20 10 DGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000101905969 431990092 /nfs/dbraw/zinc/99/00/92/431990092.db2.gz GQHCNWKIOYNRRB-INIZCTEOSA-N 1 0 318.461 3.137 20 10 DGCDRO COCCOC[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000173390819 432275511 /nfs/dbraw/zinc/27/55/11/432275511.db2.gz ZWKAMWXZHVFJKD-HNNXBMFYSA-N 1 0 315.413 3.030 20 10 DGCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000183381134 432288135 /nfs/dbraw/zinc/28/81/35/432288135.db2.gz RQPHAEZRQQGDLV-HNNXBMFYSA-N 1 0 322.412 3.474 20 10 DGCDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183426016 432292742 /nfs/dbraw/zinc/29/27/42/432292742.db2.gz XCEVCMUTFLGSNU-CQSZACIVSA-N 1 0 312.413 3.383 20 10 DGCDRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183432015 432293697 /nfs/dbraw/zinc/29/36/97/432293697.db2.gz LXINAKUJMCFDGN-CQSZACIVSA-N 1 0 318.461 3.470 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1O ZINC000183515691 432300975 /nfs/dbraw/zinc/30/09/75/432300975.db2.gz CAGKSOVQFGEVSO-ZFWWWQNUSA-N 1 0 310.397 3.128 20 10 DGCDRO CCOc1cccc(CN2CCC([NH+]3CCCCC3)CC2)c1O ZINC000271054108 432323241 /nfs/dbraw/zinc/32/32/41/432323241.db2.gz YHICFOWFCANGGK-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO COc1c(C)cnc(C[N@H+](C)Cc2cc(F)ccc2O)c1C ZINC000183782664 432325744 /nfs/dbraw/zinc/32/57/44/432325744.db2.gz HGSSZEDUEZYWHL-UHFFFAOYSA-N 1 0 304.365 3.184 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192049425 432328021 /nfs/dbraw/zinc/32/80/21/432328021.db2.gz LJXBPTJSVGCWLH-HNNXBMFYSA-N 1 0 303.402 3.090 20 10 DGCDRO COc1cc(O)c(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1OC ZINC000271099393 432329949 /nfs/dbraw/zinc/32/99/49/432329949.db2.gz OMNXALROBUVLCO-UHFFFAOYSA-N 1 0 317.307 3.104 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000271140746 432337055 /nfs/dbraw/zinc/33/70/55/432337055.db2.gz OWRVKVDXEFDKSE-UHFFFAOYSA-N 1 0 323.849 3.214 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)CC1 ZINC000174372000 432341366 /nfs/dbraw/zinc/34/13/66/432341366.db2.gz WONIREIQXXXBDI-UHFFFAOYSA-N 1 0 314.429 3.298 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCC3(CCOCC3)C2)c1O ZINC000271190805 432347921 /nfs/dbraw/zinc/34/79/21/432347921.db2.gz OZZXFCKSAXBPTR-UHFFFAOYSA-N 1 0 305.418 3.184 20 10 DGCDRO CC[C@@](C)([NH2+]Cc1cc2c(cc1O)OCO2)c1nc(C)cs1 ZINC000174499813 432352266 /nfs/dbraw/zinc/35/22/66/432352266.db2.gz XDEZOLJWHDDDLA-MRXNPFEDSA-N 1 0 320.414 3.301 20 10 DGCDRO COCCCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185036908 432459093 /nfs/dbraw/zinc/45/90/93/432459093.db2.gz XGFFSCJLNOAGHN-JTQLQIEISA-N 1 0 302.212 3.232 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000192936359 432431213 /nfs/dbraw/zinc/43/12/13/432431213.db2.gz JHMDHLWZJXDQIO-CYBMUJFWSA-N 1 0 300.402 3.318 20 10 DGCDRO COCCCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185037496 432459167 /nfs/dbraw/zinc/45/91/67/432459167.db2.gz IGMLJOYUINDWBS-JTQLQIEISA-N 1 0 302.212 3.232 20 10 DGCDRO CCOCCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000184830430 432438083 /nfs/dbraw/zinc/43/80/83/432438083.db2.gz YUQFRQFHWJHDCN-SNVBAGLBSA-N 1 0 302.212 3.232 20 10 DGCDRO C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000184902989 432444653 /nfs/dbraw/zinc/44/46/53/432444653.db2.gz LASNIHWESYXENH-TZMCWYRMSA-N 1 0 313.825 3.282 20 10 DGCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185012637 432455363 /nfs/dbraw/zinc/45/53/63/432455363.db2.gz YGEJTIZMTNTZBM-ZDUSSCGKSA-N 1 0 319.376 3.407 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@H](C)C2)c1O ZINC000271794041 432424513 /nfs/dbraw/zinc/42/45/13/432424513.db2.gz HLUOXRMNHCCOHL-MFKMUULPSA-N 1 0 314.223 3.120 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2([C@H](C)CCO)CCC2)c(O)c1 ZINC000271805897 432425347 /nfs/dbraw/zinc/42/53/47/432425347.db2.gz JWGZKRFTACSRRF-OAHLLOKOSA-N 1 0 321.461 3.459 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000271812867 432425731 /nfs/dbraw/zinc/42/57/31/432425731.db2.gz LFUQUNMLXDNWNP-LRTDBIEQSA-N 1 0 303.427 3.289 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCSC2)c1O ZINC000271819331 432426924 /nfs/dbraw/zinc/42/69/24/432426924.db2.gz MODOVCWVYZRXRR-LLVKDONJSA-N 1 0 302.237 3.058 20 10 DGCDRO CCC(O)(CC)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185231178 432481366 /nfs/dbraw/zinc/48/13/66/432481366.db2.gz FNTNOSQVPWRJFZ-JTQLQIEISA-N 1 0 316.239 3.356 20 10 DGCDRO COCC[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185290222 432487955 /nfs/dbraw/zinc/48/79/55/432487955.db2.gz QMHOHFNYMGLVFZ-VHSXEESVSA-N 1 0 302.212 3.230 20 10 DGCDRO CSC1(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000193653571 432488320 /nfs/dbraw/zinc/48/83/20/432488320.db2.gz XWMUBEWJXMSZKQ-UHFFFAOYSA-N 1 0 302.237 3.140 20 10 DGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185350523 432495047 /nfs/dbraw/zinc/49/50/47/432495047.db2.gz YHNCRXRWUDNDHA-GFCCVEGCSA-N 1 0 316.357 3.468 20 10 DGCDRO CSC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000193826570 432501946 /nfs/dbraw/zinc/50/19/46/432501946.db2.gz NIMVMZVHRJDKNQ-CYBMUJFWSA-N 1 0 324.465 3.209 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C12CCC2 ZINC000185551424 432510679 /nfs/dbraw/zinc/51/06/79/432510679.db2.gz XEDYHEJUJUTLFK-ZLIFDBKOSA-N 1 0 305.418 3.399 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c1 ZINC000185079137 432463581 /nfs/dbraw/zinc/46/35/81/432463581.db2.gz WXQRXZMMBDIWTC-OAHLLOKOSA-N 1 0 312.413 3.010 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)c1 ZINC000185119732 432468878 /nfs/dbraw/zinc/46/88/78/432468878.db2.gz XBLSJDNAVXCFLR-STQMWFEESA-N 1 0 301.386 3.305 20 10 DGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185129814 432470254 /nfs/dbraw/zinc/47/02/54/432470254.db2.gz VXDPZPWAFMSLNX-HZPDHXFCSA-N 1 0 315.413 3.100 20 10 DGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185129431 432470600 /nfs/dbraw/zinc/47/06/00/432470600.db2.gz YXORFANWWOHOKT-JKSUJKDBSA-N 1 0 315.413 3.100 20 10 DGCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000185658209 432520167 /nfs/dbraw/zinc/52/01/67/432520167.db2.gz IWIUOZRMGAAOGR-CQLHDSJLSA-N 1 0 313.438 3.262 20 10 DGCDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185676593 432522232 /nfs/dbraw/zinc/52/22/32/432522232.db2.gz LWEMJNRCXQATNL-WDEREUQCSA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1O ZINC000186171134 432564534 /nfs/dbraw/zinc/56/45/34/432564534.db2.gz YDJCNRHQRAGTTN-GXTWGEPZSA-N 1 0 317.820 3.370 20 10 DGCDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185826685 432536135 /nfs/dbraw/zinc/53/61/35/432536135.db2.gz VNABEYRIMMENOO-RDTXWAMCSA-N 1 0 315.413 3.484 20 10 DGCDRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185825876 432536727 /nfs/dbraw/zinc/53/67/27/432536727.db2.gz VDUHAFWMOPUZTL-KSSFIOAISA-N 1 0 315.413 3.484 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cc(F)ccc1O ZINC000186166153 432564739 /nfs/dbraw/zinc/56/47/39/432564739.db2.gz FLUYDYBYOUISHH-XIKOKIGWSA-N 1 0 301.361 3.016 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186177083 432567149 /nfs/dbraw/zinc/56/71/49/432567149.db2.gz OPNCBCOHCJCRHS-CYBMUJFWSA-N 1 0 301.434 3.410 20 10 DGCDRO Cc1ncsc1/C=C/C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000186341491 432584407 /nfs/dbraw/zinc/58/44/07/432584407.db2.gz YFBPQIWPBIZKJC-MDZDMXLPSA-N 1 0 315.442 3.060 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000273364894 432590683 /nfs/dbraw/zinc/59/06/83/432590683.db2.gz DXHDYYRLDXGVDY-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273421127 432597090 /nfs/dbraw/zinc/59/70/90/432597090.db2.gz SCXYNUAQPPJMIV-KGLIPLIRSA-N 1 0 323.437 3.462 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273463298 432601828 /nfs/dbraw/zinc/60/18/28/432601828.db2.gz IMZFUKAJVSFDHZ-QAPCUYQASA-N 1 0 324.424 3.152 20 10 DGCDRO CCOCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187020308 432641623 /nfs/dbraw/zinc/64/16/23/432641623.db2.gz GACSCDKJRLZTNF-SNVBAGLBSA-N 1 0 302.212 3.150 20 10 DGCDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187197557 432651793 /nfs/dbraw/zinc/65/17/93/432651793.db2.gz JBVKTNRTXPPONZ-CMPLNLGQSA-N 1 0 316.239 3.275 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000178200554 432705813 /nfs/dbraw/zinc/70/58/13/432705813.db2.gz KFXZHDBZZHSTRZ-SFHVURJKSA-N 1 0 317.477 3.196 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000178200569 432705887 /nfs/dbraw/zinc/70/58/87/432705887.db2.gz KFXZHDBZZHSTRZ-GOSISDBHSA-N 1 0 317.477 3.196 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC000187909809 432692008 /nfs/dbraw/zinc/69/20/08/432692008.db2.gz YKZUGNAXFRYVSM-KUHUBIRLSA-N 1 0 315.413 3.349 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000276456800 432808919 /nfs/dbraw/zinc/80/89/19/432808919.db2.gz VLTMEAZPTKRHOY-BFUOFWGJSA-N 1 0 315.413 3.347 20 10 DGCDRO COCCOc1ccccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296200082 432882347 /nfs/dbraw/zinc/88/23/47/432882347.db2.gz YXPNDJFPOXCKIH-MRXNPFEDSA-N 1 0 313.397 3.195 20 10 DGCDRO CCCN(Cc1cccc(O)c1OC)c1ccc(C[NH3+])cc1 ZINC000278306723 432890586 /nfs/dbraw/zinc/89/05/86/432890586.db2.gz DWKKFWUTLUPMPM-UHFFFAOYSA-N 1 0 300.402 3.276 20 10 DGCDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000278356518 432891737 /nfs/dbraw/zinc/89/17/37/432891737.db2.gz CPJSTLQUMCNCHV-XIWWETDGSA-N 1 0 315.413 3.126 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1O ZINC000278966517 432922544 /nfs/dbraw/zinc/92/25/44/432922544.db2.gz HDTFIDJAVOSIQQ-OAHLLOKOSA-N 1 0 309.768 3.316 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CCS[C@H](C)C3)cc2)CC1 ZINC000296963778 432943962 /nfs/dbraw/zinc/94/39/62/432943962.db2.gz CUACXWHRBZVMPX-OAHLLOKOSA-N 1 0 320.502 3.239 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC[C@H](C)O)c1O ZINC000279222869 432948211 /nfs/dbraw/zinc/94/82/11/432948211.db2.gz ZCPPEZBLFFJMQR-QWRGUYRKSA-N 1 0 316.239 3.275 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(Oc3ccncc3C)CC2)c1O ZINC000278656777 432898106 /nfs/dbraw/zinc/89/81/06/432898106.db2.gz JYXIASGZUMYMJB-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO CC(C)[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1 ZINC000278801920 432903122 /nfs/dbraw/zinc/90/31/22/432903122.db2.gz XSHYQJJRLPGMMT-KRWDZBQOSA-N 1 0 315.413 3.043 20 10 DGCDRO CCC[N@H+](CCc1ccccn1)Cc1cccc(OC)c1O ZINC000289707138 432972822 /nfs/dbraw/zinc/97/28/22/432972822.db2.gz GLNFXWUCBFBGFB-UHFFFAOYSA-N 1 0 300.402 3.251 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(N2CCCC2)n1 ZINC000289880513 432979200 /nfs/dbraw/zinc/97/92/00/432979200.db2.gz RURCVIAPFABBEF-UHFFFAOYSA-N 1 0 323.440 3.215 20 10 DGCDRO CC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccc(C)cc1O ZINC000280026639 432999776 /nfs/dbraw/zinc/99/97/76/432999776.db2.gz HTKSMLARWODEMM-DQPZFDDXSA-N 1 0 304.434 3.189 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(OC)n1 ZINC000290232155 433017482 /nfs/dbraw/zinc/01/74/82/433017482.db2.gz RTWPTFRCVUDWAT-CYBMUJFWSA-N 1 0 315.417 3.016 20 10 DGCDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000290375722 433040496 /nfs/dbraw/zinc/04/04/96/433040496.db2.gz HUUZFJUPHUVNAW-OAHLLOKOSA-N 1 0 316.401 3.388 20 10 DGCDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000374328419 433186001 /nfs/dbraw/zinc/18/60/01/433186001.db2.gz BWCZLKFZNMVANE-MRXNPFEDSA-N 1 0 302.805 3.322 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000291054123 433217451 /nfs/dbraw/zinc/21/74/51/433217451.db2.gz NUSHYXGROIDLBV-ZDUSSCGKSA-N 1 0 318.367 3.287 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)Cc1cc(F)ncc1F ZINC000291469700 433246589 /nfs/dbraw/zinc/24/65/89/433246589.db2.gz OXIHKPDFOYKDKG-UHFFFAOYSA-N 1 0 305.372 3.448 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1O ZINC000291700831 433317856 /nfs/dbraw/zinc/31/78/56/433317856.db2.gz YYTTYXJGSFLTLG-QGZVFWFLSA-N 1 0 303.427 3.340 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1ccc(C)cc1O ZINC000375647665 433515952 /nfs/dbraw/zinc/51/59/52/433515952.db2.gz FKQXDQAUKITCCJ-RDJZCZTQSA-N 1 0 311.429 3.397 20 10 DGCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000292688034 433586009 /nfs/dbraw/zinc/58/60/09/433586009.db2.gz BDMBZOURCXNWOA-FZMZJTMJSA-N 1 0 316.367 3.117 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1 ZINC000292856279 433602441 /nfs/dbraw/zinc/60/24/41/433602441.db2.gz UTHNVAJBLXTUGX-PIGZYNQJSA-N 1 0 319.426 3.254 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1F ZINC000282545566 433612731 /nfs/dbraw/zinc/61/27/31/433612731.db2.gz CLOJKWLJZJAGIU-QGZVFWFLSA-N 1 0 306.425 3.331 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC[NH+](CC)CC ZINC000283108998 433664867 /nfs/dbraw/zinc/66/48/67/433664867.db2.gz MKHXSRMMKPEYGW-UHFFFAOYSA-N 1 0 321.465 3.046 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c(O)c1 ZINC000283121391 433668745 /nfs/dbraw/zinc/66/87/45/433668745.db2.gz YZVSGELKUDHBFY-MRXNPFEDSA-N 1 0 315.417 3.082 20 10 DGCDRO CCCC[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1O ZINC000283122162 433669800 /nfs/dbraw/zinc/66/98/00/433669800.db2.gz VIJLMKSBIMNWEY-UHFFFAOYSA-N 1 0 318.442 3.355 20 10 DGCDRO CC(C)SCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000283268370 433700378 /nfs/dbraw/zinc/70/03/78/433700378.db2.gz WNCWRAODBNDHPH-HNNXBMFYSA-N 1 0 308.491 3.315 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000293441600 433740292 /nfs/dbraw/zinc/74/02/92/433740292.db2.gz VEPUAOBVQBFTNM-UHFFFAOYSA-N 1 0 324.468 3.279 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1 ZINC000294147412 434013621 /nfs/dbraw/zinc/01/36/21/434013621.db2.gz VFFPZHXLXJMTDE-SFHVURJKSA-N 1 0 307.434 3.021 20 10 DGCDRO COC[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000294325166 434086035 /nfs/dbraw/zinc/08/60/35/434086035.db2.gz XEEXCLRFASPCRC-MRXNPFEDSA-N 1 0 311.809 3.107 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](Cc2ccccc2)OC)c1 ZINC000294704968 434126675 /nfs/dbraw/zinc/12/66/75/434126675.db2.gz DGVYEELBDNZBRS-SFHVURJKSA-N 1 0 315.413 3.138 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c(O)c1 ZINC000294689534 434127585 /nfs/dbraw/zinc/12/75/85/434127585.db2.gz ILRDJWADBNVZDO-CQSZACIVSA-N 1 0 312.413 3.001 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c(O)c1 ZINC000294706781 434127901 /nfs/dbraw/zinc/12/79/01/434127901.db2.gz BPCUMXRXILONCX-KRWDZBQOSA-N 1 0 307.434 3.428 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000294942114 434152985 /nfs/dbraw/zinc/15/29/85/434152985.db2.gz CJHJSZJPAHZRJR-INIZCTEOSA-N 1 0 321.804 3.220 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCc2ncccc2C)c(O)c1 ZINC000294993505 434157884 /nfs/dbraw/zinc/15/78/84/434157884.db2.gz KWUJODVXSGLYLI-UHFFFAOYSA-N 1 0 300.402 3.217 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCCc2ncccc2C)c1 ZINC000295060871 434174214 /nfs/dbraw/zinc/17/42/14/434174214.db2.gz QFQQUNRYTDJKLZ-UHFFFAOYSA-N 1 0 300.402 3.217 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c(O)c1C ZINC000363870556 434175012 /nfs/dbraw/zinc/17/50/12/434175012.db2.gz XSUZVUGLSXWQGQ-XJKSGUPXSA-N 1 0 311.429 3.316 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)CC(C)(C)O)c1O ZINC000295067757 434177072 /nfs/dbraw/zinc/17/70/72/434177072.db2.gz OXVWKTDAGZMISB-JTQLQIEISA-N 1 0 316.239 3.102 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000364068496 434221294 /nfs/dbraw/zinc/22/12/94/434221294.db2.gz SQHBRQOVTNJMOE-MSOLQXFVSA-N 1 0 305.418 3.086 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cc(Br)ccc1O ZINC000295859865 434438435 /nfs/dbraw/zinc/43/84/35/434438435.db2.gz BKIGBWSWOSTGKW-WDEREUQCSA-N 1 0 316.239 3.214 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1cnn(-c3ccccc3)c1)CC2 ZINC000296042740 434486077 /nfs/dbraw/zinc/48/60/77/434486077.db2.gz QSWYSDBOAPYKJU-SFHVURJKSA-N 1 0 319.408 3.398 20 10 DGCDRO CC(C)(CO)[C@H]([NH2+]Cc1cc(F)ccc1O)c1cccs1 ZINC000296060853 434493555 /nfs/dbraw/zinc/49/35/55/434493555.db2.gz QMHJTNUQEBDDBF-OAHLLOKOSA-N 1 0 309.406 3.442 20 10 DGCDRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000367969367 434563855 /nfs/dbraw/zinc/56/38/55/434563855.db2.gz ZARAQYHPQBJPDT-FOIQADDNSA-N 1 0 324.424 3.135 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000368653157 434580195 /nfs/dbraw/zinc/58/01/95/434580195.db2.gz QCJRPDPVRNILDF-IGNZVWTISA-N 1 0 305.418 3.257 20 10 DGCDRO CCOC(=O)C1(C)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000371616944 434732637 /nfs/dbraw/zinc/73/26/37/434732637.db2.gz RODLZEXPFFYIKZ-UHFFFAOYSA-N 1 0 311.809 3.211 20 10 DGCDRO CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000527797222 435014797 /nfs/dbraw/zinc/01/47/97/435014797.db2.gz ATSPYYSHEZESJD-KGLIPLIRSA-N 1 0 314.223 3.200 20 10 DGCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CC2(CCC2)c2ccccc21 ZINC000662809433 436390020 /nfs/dbraw/zinc/39/00/20/436390020.db2.gz HBAYNGVNGAUYDS-UHFFFAOYSA-N 1 0 318.420 3.414 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c(O)c1C ZINC000273614487 301710096 /nfs/dbraw/zinc/71/00/96/301710096.db2.gz WXRUIIOYNODVPC-CYBMUJFWSA-N 1 0 308.422 3.184 20 10 DGCDRO COc1cc(Cl)cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000368043825 332216877 /nfs/dbraw/zinc/21/68/77/332216877.db2.gz QDXOWTXZNOJXMU-SWLSCSKDSA-N 1 0 324.852 3.113 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H](C)Cn2ccnc2C)c(O)c1 ZINC000105442772 332251930 /nfs/dbraw/zinc/25/19/30/332251930.db2.gz SKMGNUOMQXZUPW-AWEZNQCLSA-N 1 0 317.433 3.112 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)C(C)(C)O ZINC000293659191 335114360 /nfs/dbraw/zinc/11/43/60/335114360.db2.gz NQSDMBHBDNKESB-LBPRGKRZSA-N 1 0 316.239 3.102 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c1 ZINC000293661201 335114879 /nfs/dbraw/zinc/11/48/79/335114879.db2.gz IQEKYGJSYZZLIF-UKRRQHHQSA-N 1 0 307.434 3.240 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000184988459 500975300 /nfs/dbraw/zinc/97/53/00/500975300.db2.gz GOPXVSFJVVXUOM-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO C[C@H]([NH2+]CCSCCCO)c1ccc2ccccc2c1O ZINC000185378847 533863271 /nfs/dbraw/zinc/86/32/71/533863271.db2.gz VRKKPWWTRYWQSL-ZDUSSCGKSA-N 1 0 305.443 3.312 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O ZINC000176986337 533870850 /nfs/dbraw/zinc/87/08/50/533870850.db2.gz FFTSEUPHQPVDBH-NSHDSACASA-N 1 0 304.321 3.333 20 10 DGCDRO C[C@H](CCO)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000294683844 533961667 /nfs/dbraw/zinc/96/16/67/533961667.db2.gz BHQHMEOWQUPIIJ-LBPRGKRZSA-N 1 0 318.383 3.270 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c1 ZINC000180203299 534201111 /nfs/dbraw/zinc/20/11/11/534201111.db2.gz OWILCCGNZBSDKA-LJQANCHMSA-N 1 0 313.397 3.148 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000129712176 534203510 /nfs/dbraw/zinc/20/35/10/534203510.db2.gz IBTPUWLGTKQFLB-GFCCVEGCSA-N 1 0 316.357 3.202 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C)Cc2ccccc2)c1 ZINC000185111434 534204644 /nfs/dbraw/zinc/20/46/44/534204644.db2.gz FVDSHGSTAWKKTH-HNNXBMFYSA-N 1 0 314.429 3.183 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c(O)c1 ZINC000184988866 534226191 /nfs/dbraw/zinc/22/61/91/534226191.db2.gz VHGJXIJJHDAYKI-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185113932 519362300 /nfs/dbraw/zinc/36/23/00/519362300.db2.gz GGWDKUDIBCJICU-CMPLNLGQSA-N 1 0 316.239 3.212 20 10 DGCDRO CCCNC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000158351281 519879979 /nfs/dbraw/zinc/87/99/79/519879979.db2.gz XAYGFBTXXSRDLO-INIZCTEOSA-N 1 0 317.477 3.244 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1 ZINC000127275185 520283646 /nfs/dbraw/zinc/28/36/46/520283646.db2.gz ROCGMNXBLFMWRL-SZNDQCEHSA-N 1 0 310.507 3.341 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000163625337 520287363 /nfs/dbraw/zinc/28/73/63/520287363.db2.gz VCDANFXPEDOFOH-KGLIPLIRSA-N 1 0 305.466 3.097 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@](CC)(CO)C2)c(O)c1 ZINC000190212091 520348276 /nfs/dbraw/zinc/34/82/76/520348276.db2.gz GEDTXIXEMBVLGS-GOSISDBHSA-N 1 0 307.434 3.166 20 10 DGCDRO CC[N@H+](Cc1ccno1)Cc1cc(Br)ccc1O ZINC000266652127 521425414 /nfs/dbraw/zinc/42/54/14/521425414.db2.gz YYGRDRKTZHLQPG-UHFFFAOYSA-N 1 0 311.179 3.165 20 10 DGCDRO CCSc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccn1 ZINC000189605249 521734127 /nfs/dbraw/zinc/73/41/27/521734127.db2.gz ZUKFSKNOHCYVRE-UHFFFAOYSA-N 1 0 300.427 3.418 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCSC[C@@H](C)C2)c1O ZINC000190845474 522534832 /nfs/dbraw/zinc/53/48/32/522534832.db2.gz AOCDMXKRUGGYEM-JTQLQIEISA-N 1 0 301.839 3.239 20 10 DGCDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccccc1O ZINC000156961095 522638638 /nfs/dbraw/zinc/63/86/38/522638638.db2.gz BQBFSUMMKRRSSK-WMZOPIPTSA-N 1 0 303.377 3.480 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3c(F)cccc3C2)cc1OC ZINC000160502144 522777394 /nfs/dbraw/zinc/77/73/94/522777394.db2.gz QSSHLALNJKPSOK-UHFFFAOYSA-N 1 0 317.360 3.107 20 10 DGCDRO CC[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000158293383 522830434 /nfs/dbraw/zinc/83/04/34/522830434.db2.gz WTFVONZCNDVGDV-GOSISDBHSA-N 1 0 300.450 3.160 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@H](O)c1c(F)cccc1F ZINC000266341611 522883127 /nfs/dbraw/zinc/88/31/27/522883127.db2.gz YLKVZFIGERBHIO-PBHICJAKSA-N 1 0 307.340 3.272 20 10 DGCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCCOC1 ZINC000156030631 523163768 /nfs/dbraw/zinc/16/37/68/523163768.db2.gz QBRSTMNHHNJFJP-NSHDSACASA-N 1 0 314.223 3.013 20 10 DGCDRO CC[C@@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)c1nccs1 ZINC000182371682 523658433 /nfs/dbraw/zinc/65/84/33/523658433.db2.gz XFRGGIACUJJQAS-MRXNPFEDSA-N 1 0 322.430 3.281 20 10 DGCDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C)c(O)c1O ZINC000182561142 524388954 /nfs/dbraw/zinc/38/89/54/524388954.db2.gz GXACWTQXCSICMZ-UHFFFAOYSA-N 1 0 314.385 3.029 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CSC[C@H]3C)CC2)cc1 ZINC000367705416 524403480 /nfs/dbraw/zinc/40/34/80/524403480.db2.gz HAHDVBYEUZEGEY-CXAGYDPISA-N 1 0 306.475 3.005 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2)c1 ZINC000182432590 524766558 /nfs/dbraw/zinc/76/65/58/524766558.db2.gz QPBYCWMCBBYJAA-CHWSQXEVSA-N 1 0 314.385 3.079 20 10 DGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000156919363 525488495 /nfs/dbraw/zinc/48/84/95/525488495.db2.gz WGALZBIZFYVCBS-CXAGYDPISA-N 1 0 304.459 3.372 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000158245511 525626725 /nfs/dbraw/zinc/62/67/25/525626725.db2.gz IWKJYHXPTOYBNS-IUODEOHRSA-N 1 0 305.805 3.300 20 10 DGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCCC3)cc2)o1 ZINC000266000440 525780068 /nfs/dbraw/zinc/78/00/68/525780068.db2.gz OWUIOSKROXARIJ-SFHVURJKSA-N 1 0 314.429 3.402 20 10 DGCDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265738634 525819526 /nfs/dbraw/zinc/81/95/26/525819526.db2.gz DFSQVMVKXALOTF-UGSOOPFHSA-N 1 0 317.454 3.261 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c1O ZINC000181012682 525915278 /nfs/dbraw/zinc/91/52/78/525915278.db2.gz BTEZVMULHABECL-UHFFFAOYSA-N 1 0 311.303 3.450 20 10 DGCDRO COc1cccc(C[NH2+]C2CCN(c3ccccc3)CC2)c1O ZINC000237366019 526009952 /nfs/dbraw/zinc/00/99/52/526009952.db2.gz JFBXLQIQUILEII-UHFFFAOYSA-N 1 0 312.413 3.159 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000180470872 526327361 /nfs/dbraw/zinc/32/73/61/526327361.db2.gz SYASCRZHDNQBHB-CQSZACIVSA-N 1 0 308.853 3.353 20 10 DGCDRO Oc1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000160197233 526359582 /nfs/dbraw/zinc/35/95/82/526359582.db2.gz ARYNENKDJRKSRG-SFHVURJKSA-N 1 0 313.397 3.279 20 10 DGCDRO c1cc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000367722932 526435891 /nfs/dbraw/zinc/43/58/91/526435891.db2.gz BYZDUMUHELNEPC-FQEVSTJZSA-N 1 0 323.440 3.255 20 10 DGCDRO OC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000153183138 527619250 /nfs/dbraw/zinc/61/92/50/527619250.db2.gz PDJMJYJOYGJAHZ-HDICACEKSA-N 1 0 302.462 3.318 20 10 DGCDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177356078 527835374 /nfs/dbraw/zinc/83/53/74/527835374.db2.gz NSHRFKJBSAKXAX-CYBMUJFWSA-N 1 0 324.852 3.022 20 10 DGCDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000296298585 529029462 /nfs/dbraw/zinc/02/94/62/529029462.db2.gz FYMKCPGKASACPT-OAHLLOKOSA-N 1 0 320.452 3.455 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1ccc(N(C)C)cc1 ZINC000370670818 529207823 /nfs/dbraw/zinc/20/78/23/529207823.db2.gz HRHMBYIJZCFJKX-PKOBYXMFSA-N 1 0 324.472 3.449 20 10 DGCDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273596461 535184297 /nfs/dbraw/zinc/18/42/97/535184297.db2.gz QVLUVGGHOCANBF-ZWNOBZJWSA-N 1 0 316.239 3.212 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@H](O)c2ccccc2)c1 ZINC000289176339 535751697 /nfs/dbraw/zinc/75/16/97/535751697.db2.gz AAKHEHAIBZSIAO-SFHVURJKSA-N 1 0 301.386 3.004 20 10 DGCDRO CC[C@@H]([NH2+]CCC(C)(C)O)c1cc(Br)ccc1O ZINC000274792009 535803403 /nfs/dbraw/zinc/80/34/03/535803403.db2.gz OHXKZSZJGRQZGI-GFCCVEGCSA-N 1 0 316.239 3.356 20 10 DGCDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)CC1 ZINC000731872885 574560497 /nfs/dbraw/zinc/56/04/97/574560497.db2.gz SXRLFUWBABMQOR-CQSZACIVSA-N 1 0 322.474 3.038 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000733165858 574600400 /nfs/dbraw/zinc/60/04/00/574600400.db2.gz MHBQNTTVCRGTHI-AWEZNQCLSA-N 1 0 313.445 3.164 20 10 DGCDRO CN(C)C(=O)c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733324364 574615417 /nfs/dbraw/zinc/61/54/17/574615417.db2.gz RUVVLMWHLVIKMJ-UHFFFAOYSA-N 1 0 318.804 3.037 20 10 DGCDRO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613226 574632257 /nfs/dbraw/zinc/63/22/57/574632257.db2.gz FYWATBOIXGISTK-GOSISDBHSA-N 1 0 321.461 3.170 20 10 DGCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)cc1C ZINC000734004200 574646708 /nfs/dbraw/zinc/64/67/08/574646708.db2.gz UTXYHXKCEONWCD-SFHVURJKSA-N 1 0 321.367 3.279 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000734508699 574665528 /nfs/dbraw/zinc/66/55/28/574665528.db2.gz CEFQSSGNXFUUIA-UHFFFAOYSA-N 1 0 308.429 3.238 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000734636869 574671869 /nfs/dbraw/zinc/67/18/69/574671869.db2.gz CDRMNDFCKVLQFB-FQEVSTJZSA-N 1 0 310.441 3.498 20 10 DGCDRO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000740003947 574917922 /nfs/dbraw/zinc/91/79/22/574917922.db2.gz DTVWEKWOXPOSFW-SJORKVTESA-N 1 0 319.468 3.388 20 10 DGCDRO CC(C)[N@H+](CCOC[C@@H]1CCCO1)Cc1ccc(N(C)C)cc1 ZINC000741389291 574957074 /nfs/dbraw/zinc/95/70/74/574957074.db2.gz ZDSLFQKQNOPYDU-IBGZPJMESA-N 1 0 320.477 3.159 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OC)c(Cl)c2)c1 ZINC000742371247 574993083 /nfs/dbraw/zinc/99/30/83/574993083.db2.gz LZHYOGHASDRBGV-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)C12CCCC2 ZINC000742390951 574996005 /nfs/dbraw/zinc/99/60/05/574996005.db2.gz WKLBOSWZXKEGGJ-JKSUJKDBSA-N 1 0 305.418 3.228 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc2ccccc2c1O ZINC000186115229 575213110 /nfs/dbraw/zinc/21/31/10/575213110.db2.gz YDKUPSAGMHRQQP-SWLSCSKDSA-N 1 0 307.397 3.477 20 10 DGCDRO CCCCN1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000729682746 575260650 /nfs/dbraw/zinc/26/06/50/575260650.db2.gz GIQJWAWIEXTYOU-SFHVURJKSA-N 1 0 302.462 3.366 20 10 DGCDRO C[C@@H]1CCN(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000744450030 575344041 /nfs/dbraw/zinc/34/40/41/575344041.db2.gz JJYSAMVIESMYDF-QGZVFWFLSA-N 1 0 301.478 3.108 20 10 DGCDRO COC(=O)/C(C)=C/C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000748810122 575608954 /nfs/dbraw/zinc/60/89/54/575608954.db2.gz QQLPWAXXTNDXQQ-LFIBNONCSA-N 1 0 316.445 3.228 20 10 DGCDRO Cc1cc(C[NH+]2CCN(C3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000749674852 575672116 /nfs/dbraw/zinc/67/21/16/575672116.db2.gz DSMZZFKHZVOCEG-UHFFFAOYSA-N 1 0 302.462 3.278 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000751946634 575813844 /nfs/dbraw/zinc/81/38/44/575813844.db2.gz ZZEISROXNPROOY-LBPRGKRZSA-N 1 0 301.386 3.238 20 10 DGCDRO CS[C@@H](C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000752099420 575823290 /nfs/dbraw/zinc/82/32/90/575823290.db2.gz IBKPAHLKHSIKIA-ZDUSSCGKSA-N 1 0 323.462 3.426 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000725850027 575931650 /nfs/dbraw/zinc/93/16/50/575931650.db2.gz DNEWVKBOPHWGSH-UHFFFAOYSA-N 1 0 314.360 3.354 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000727763115 576143885 /nfs/dbraw/zinc/14/38/85/576143885.db2.gz TWWPPMHMOZTLGJ-UHFFFAOYSA-N 1 0 313.445 3.212 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)COc2ccccc2)c1O ZINC000728781913 576201816 /nfs/dbraw/zinc/20/18/16/576201816.db2.gz JEQAXQSGOQLLAZ-AWEZNQCLSA-N 1 0 301.386 3.348 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000852800577 620649460 /nfs/dbraw/zinc/64/94/60/620649460.db2.gz QFRWGUROLXAQBH-GOSISDBHSA-N 1 0 324.424 3.365 20 10 DGCDRO CN(C)c1ccc(CN(CC(=O)Nc2ccccc2)C2CC2)cc1 ZINC000917074326 620654806 /nfs/dbraw/zinc/65/48/06/620654806.db2.gz XXFRAMLNWBBOGL-UHFFFAOYSA-N 1 0 323.440 3.356 20 10 DGCDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000852921825 620655502 /nfs/dbraw/zinc/65/55/02/620655502.db2.gz RTGIWSANDZQHKP-LLVKDONJSA-N 1 0 319.836 3.085 20 10 DGCDRO CCn1nccc1C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000853094431 620667825 /nfs/dbraw/zinc/66/78/25/620667825.db2.gz XOFYPAUDVABSHZ-UHFFFAOYSA-N 1 0 317.433 3.205 20 10 DGCDRO C[C@H]([NH2+]CCOCCF)c1ccc(N2CCCCC2)c(F)c1 ZINC000853238849 620680872 /nfs/dbraw/zinc/68/08/72/620680872.db2.gz SWIYOUFXBUXOSZ-AWEZNQCLSA-N 1 0 312.404 3.453 20 10 DGCDRO Cc1cccnc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000154616532 620693541 /nfs/dbraw/zinc/69/35/41/620693541.db2.gz IMWSPAMPHZENCI-MRXNPFEDSA-N 1 0 311.429 3.077 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)c1 ZINC000853528161 620706649 /nfs/dbraw/zinc/70/66/49/620706649.db2.gz LYBUOOBFNBIICX-LJQANCHMSA-N 1 0 319.445 3.396 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c1 ZINC000853543695 620708342 /nfs/dbraw/zinc/70/83/42/620708342.db2.gz HQFYZBCIXLNIHV-KDURUIRLSA-N 1 0 319.445 3.254 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(O)cc1C ZINC000853572423 620710924 /nfs/dbraw/zinc/71/09/24/620710924.db2.gz SDCHRPUMBKFPTG-CRAIPNDOSA-N 1 0 319.445 3.490 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853585947 620712834 /nfs/dbraw/zinc/71/28/34/620712834.db2.gz LRHYDHAUIPULFS-GOEBONIOSA-N 1 0 303.446 3.466 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)c2c1 ZINC000853586649 620712941 /nfs/dbraw/zinc/71/29/41/620712941.db2.gz VTJKDPBAAZVXIK-HUUCEWRRSA-N 1 0 313.397 3.022 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000154904113 620737136 /nfs/dbraw/zinc/73/71/36/620737136.db2.gz RAKGNSCYPPVNRX-HNNXBMFYSA-N 1 0 320.433 3.190 20 10 DGCDRO CS[C@@H]1CCCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000134564070 617636480 /nfs/dbraw/zinc/63/64/80/617636480.db2.gz NYVHCYBSJJHUCQ-CQSZACIVSA-N 1 0 311.422 3.451 20 10 DGCDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000806134149 617676347 /nfs/dbraw/zinc/67/63/47/617676347.db2.gz VAUWVVXQOWUEHV-QZTJIDSGSA-N 1 0 302.462 3.438 20 10 DGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2O)C1(C)C ZINC000892102047 617962160 /nfs/dbraw/zinc/96/21/60/617962160.db2.gz REYOSEVFFMAJKU-CABCVRRESA-N 1 0 323.433 3.045 20 10 DGCDRO COc1ccc(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c(O)c1OC ZINC000892203090 617983966 /nfs/dbraw/zinc/98/39/66/617983966.db2.gz QEOZLTWSKRPIIB-KSSFIOAISA-N 1 0 323.433 3.045 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1 ZINC000920180965 620789141 /nfs/dbraw/zinc/78/91/41/620789141.db2.gz OUNULMKCGDDZDH-SFHVURJKSA-N 1 0 303.494 3.497 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC=C(c3ccco3)C2)c(O)c1OC ZINC000894390656 618303090 /nfs/dbraw/zinc/30/30/90/618303090.db2.gz HVQGJXNPOAPSJP-UHFFFAOYSA-N 1 0 315.369 3.292 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000840894037 618323811 /nfs/dbraw/zinc/32/38/11/618323811.db2.gz OUCXIKUCRYOHJM-CVEARBPZSA-N 1 0 312.461 3.003 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cc(F)cc(F)c2)c(O)c1OC ZINC000892851336 618329177 /nfs/dbraw/zinc/32/91/77/618329177.db2.gz GYZGNTMGMIURML-UHFFFAOYSA-N 1 0 323.339 3.020 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(O)c1OC ZINC000894450122 618335434 /nfs/dbraw/zinc/33/54/34/618335434.db2.gz SDDRVUQIDBOKOJ-OAHLLOKOSA-N 1 0 314.385 3.142 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1O ZINC000894475012 618349271 /nfs/dbraw/zinc/34/92/71/618349271.db2.gz HWGXIIKIFQZIRF-ZWKOTPCHSA-N 1 0 305.418 3.004 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC[C@](C)(O)c2ccccc2)c1O ZINC000894502608 618359149 /nfs/dbraw/zinc/35/91/49/618359149.db2.gz CEVCGXHEBQDQTR-IBGZPJMESA-N 1 0 315.413 3.097 20 10 DGCDRO CCc1nc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)cs1 ZINC000892977235 618376206 /nfs/dbraw/zinc/37/62/06/618376206.db2.gz KQTOUMLBWACZJS-JTQLQIEISA-N 1 0 322.430 3.279 20 10 DGCDRO COc1ccc(C[NH2+]C2(c3ccccc3F)CC2)c(O)c1OC ZINC000892999667 618383820 /nfs/dbraw/zinc/38/38/20/618383820.db2.gz STLJABFVKPOFMR-UHFFFAOYSA-N 1 0 317.360 3.327 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccncc1 ZINC000893031958 618397440 /nfs/dbraw/zinc/39/74/40/618397440.db2.gz GHTSDEMMESWCAV-AWEZNQCLSA-N 1 0 302.374 3.045 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)c1O ZINC000894747770 618443671 /nfs/dbraw/zinc/44/36/71/618443671.db2.gz NOHPANYRAPBQDK-KBXCAEBGSA-N 1 0 315.413 3.229 20 10 DGCDRO CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000894789831 618454731 /nfs/dbraw/zinc/45/47/31/618454731.db2.gz KOFNQZNZAFXYOW-OAHLLOKOSA-N 1 0 307.434 3.489 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)c2ccccn2)c1O ZINC000894873463 618484535 /nfs/dbraw/zinc/48/45/35/618484535.db2.gz IQOROUVQCQRHGK-UHFFFAOYSA-N 1 0 300.402 3.172 20 10 DGCDRO COc1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)c(O)c1OC ZINC000893256492 618487912 /nfs/dbraw/zinc/48/79/12/618487912.db2.gz UCNCPWFRNJGNJC-INIZCTEOSA-N 1 0 314.385 3.045 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@](C)(OC)c2ccccc2)c1O ZINC000894897496 618492404 /nfs/dbraw/zinc/49/24/04/618492404.db2.gz FWBYUWHTWZBZBA-IBGZPJMESA-N 1 0 315.413 3.361 20 10 DGCDRO CC(C)[C@@H]1[N@H+](Cc2cc(F)cc(F)c2[O-])CC12CCOCC2 ZINC000894999570 618509092 /nfs/dbraw/zinc/50/90/92/618509092.db2.gz UXQSXKRBHGSKSF-INIZCTEOSA-N 1 0 311.372 3.307 20 10 DGCDRO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)n1 ZINC000840910842 618524479 /nfs/dbraw/zinc/52/44/79/618524479.db2.gz MXBQPZAWBUPSEZ-MRXNPFEDSA-N 1 0 314.433 3.132 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2C)cc1O ZINC000840912049 618525642 /nfs/dbraw/zinc/52/56/42/618525642.db2.gz ZFUDWZNMASPXSH-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO CN(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1O)c1cccs1 ZINC000020000087 618563691 /nfs/dbraw/zinc/56/36/91/618563691.db2.gz NNUXTJTWZGQEDO-CYBMUJFWSA-N 1 0 310.850 3.500 20 10 DGCDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c(O)c1OC ZINC000893497354 618574015 /nfs/dbraw/zinc/57/40/15/618574015.db2.gz ISSMPSIUICIPKO-QEJZJMRPSA-N 1 0 305.418 3.420 20 10 DGCDRO COc1ccc(C[N@H+](C)C[C@H](C)c2nccs2)c(O)c1OC ZINC000893536584 618588033 /nfs/dbraw/zinc/58/80/33/618588033.db2.gz WLYMUFSCVANAEA-NSHDSACASA-N 1 0 322.430 3.101 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000840927717 618599421 /nfs/dbraw/zinc/59/94/21/618599421.db2.gz APRWJRPOAIEKCV-SFHVURJKSA-N 1 0 320.383 3.162 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@](C)(O)c1ccsc1 ZINC000840933951 618609725 /nfs/dbraw/zinc/60/97/25/618609725.db2.gz LUVRNBCEAIDULV-KRWDZBQOSA-N 1 0 304.459 3.120 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)c2ncc(C)s2)c(O)c1OC ZINC000893574826 618610063 /nfs/dbraw/zinc/61/00/63/618610063.db2.gz AFCKRSHUPKOBIK-JTQLQIEISA-N 1 0 322.430 3.068 20 10 DGCDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840935385 618610087 /nfs/dbraw/zinc/61/00/87/618610087.db2.gz NUDDQBZTQHKGTG-NRJQMVOHSA-N 1 0 322.518 3.230 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1OC ZINC000893622742 618619233 /nfs/dbraw/zinc/61/92/33/618619233.db2.gz HGJGURMTMRYLHM-CABCVRRESA-N 1 0 323.433 3.091 20 10 DGCDRO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc3c(c1)CCCO3)n2C ZINC000893649331 618631282 /nfs/dbraw/zinc/63/12/82/618631282.db2.gz RSFOTRMHFRHJBV-UHFFFAOYSA-N 1 0 321.424 3.497 20 10 DGCDRO CCc1nn(C)cc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975057 618651023 /nfs/dbraw/zinc/65/10/23/618651023.db2.gz CDFNBBIOYUXBPA-HNNXBMFYSA-N 1 0 314.477 3.078 20 10 DGCDRO COc1ccc(C[N@@H+]2CCc3cc(C)ccc3C2)c(O)c1OC ZINC000893980233 618687047 /nfs/dbraw/zinc/68/70/47/618687047.db2.gz HXEXKKKMCXIEQK-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC3=CCCCC3)cc2)CC1 ZINC000877556047 618725244 /nfs/dbraw/zinc/72/52/44/618725244.db2.gz JTIFJHCWCBVJEY-UHFFFAOYSA-N 1 0 300.446 3.238 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000894192388 618726430 /nfs/dbraw/zinc/72/64/30/618726430.db2.gz BJWNVCYSUYXSSX-LBPRGKRZSA-N 1 0 316.357 3.468 20 10 DGCDRO Clc1ccnc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924901357 618733205 /nfs/dbraw/zinc/73/32/05/618733205.db2.gz SEPFAXNJRPFIRV-OAHLLOKOSA-N 1 0 300.789 3.447 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)Cc2ccc(O)cc2)c1O ZINC000894241071 618737033 /nfs/dbraw/zinc/73/70/33/618737033.db2.gz GHQSRADARZVBBU-CYBMUJFWSA-N 1 0 301.386 3.136 20 10 DGCDRO CCc1ccc([C@H](COC)[NH2+]Cc2cc(C)cc(OC)c2O)o1 ZINC000894269666 618747370 /nfs/dbraw/zinc/74/73/70/618747370.db2.gz ULLOYQFYWQITPR-HNNXBMFYSA-N 1 0 319.401 3.342 20 10 DGCDRO COc1ccc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c(O)c1OC ZINC000894277235 618749820 /nfs/dbraw/zinc/74/98/20/618749820.db2.gz GOTDLWWPEBHMPG-STQMWFEESA-N 1 0 323.433 3.093 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](CCCO)c2ccccc2)c1O ZINC000894285992 618752090 /nfs/dbraw/zinc/75/20/90/618752090.db2.gz XEMQPIZIJLNSAI-QGZVFWFLSA-N 1 0 315.413 3.313 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)c1O ZINC000894310021 618760472 /nfs/dbraw/zinc/76/04/72/618760472.db2.gz FZABHIGYTAGZQK-UHFFFAOYSA-N 1 0 311.385 3.184 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000895413456 618780975 /nfs/dbraw/zinc/78/09/75/618780975.db2.gz DSHXXLPAOLHZHA-LBPRGKRZSA-N 1 0 305.324 3.366 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H](O)c1ccccc1 ZINC000895476120 618790021 /nfs/dbraw/zinc/79/00/21/618790021.db2.gz FUCLOIPIKOYTCY-AEFFLSMTSA-N 1 0 315.413 3.311 20 10 DGCDRO CC(C)[C@H](CNC(=O)Nc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000841301837 618802580 /nfs/dbraw/zinc/80/25/80/618802580.db2.gz FNOGARGOHOOLNY-KRWDZBQOSA-N 1 0 318.465 3.147 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1F ZINC000895585104 618802888 /nfs/dbraw/zinc/80/28/88/618802888.db2.gz WBOVQXABXVVTLR-ZDUSSCGKSA-N 1 0 305.422 3.338 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000895665026 618814235 /nfs/dbraw/zinc/81/42/35/618814235.db2.gz WZMFCAIATWSUJE-BXUZGUMPSA-N 1 0 313.825 3.349 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)c1O ZINC000895790756 618831457 /nfs/dbraw/zinc/83/14/57/618831457.db2.gz KVIQLBJOQDOSJF-ZDUSSCGKSA-N 1 0 311.809 3.103 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cncc(Cl)c3)cc2)CC1 ZINC000895879224 618843642 /nfs/dbraw/zinc/84/36/42/618843642.db2.gz IBUGKCBEVOUBIG-UHFFFAOYSA-N 1 0 316.836 3.099 20 10 DGCDRO Cc1nc([C@H]2CC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)no1 ZINC000896231749 618889306 /nfs/dbraw/zinc/88/93/06/618889306.db2.gz DGZWHTVPTKUGJH-NSHDSACASA-N 1 0 307.781 3.035 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896279865 618896339 /nfs/dbraw/zinc/89/63/39/618896339.db2.gz JOPGALZRJPTAEC-CABCVRRESA-N 1 0 316.367 3.261 20 10 DGCDRO COc1c2ccccc2oc1C[NH2+]Cc1c(O)cccc1OC ZINC000788970844 625308864 /nfs/dbraw/zinc/30/88/64/625308864.db2.gz WPOAIBYPQGKNMV-UHFFFAOYSA-N 1 0 313.353 3.445 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCSC3(CCC3)C2)cc1OC ZINC000896950161 618992558 /nfs/dbraw/zinc/99/25/58/618992558.db2.gz CHLQENOTMSGPSO-CYBMUJFWSA-N 1 0 323.458 3.317 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000788978016 625310242 /nfs/dbraw/zinc/31/02/42/625310242.db2.gz LRHICTNWDQXQCT-NZSAHSFTSA-N 1 0 302.462 3.438 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC=CCC1 ZINC000121296090 619039353 /nfs/dbraw/zinc/03/93/53/619039353.db2.gz RYAIEXLTJCLOQH-KRWDZBQOSA-N 1 0 300.446 3.311 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1O ZINC000897267601 619039504 /nfs/dbraw/zinc/03/95/04/619039504.db2.gz MXBROXDJVDEZTD-INIZCTEOSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@H](Cc3nc(C)cs3)C2)c1O ZINC000897299094 619048776 /nfs/dbraw/zinc/04/87/76/619048776.db2.gz UMADWIKNYHSJTQ-CYBMUJFWSA-N 1 0 318.442 3.230 20 10 DGCDRO Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)c(O)c1O ZINC000909605475 619058263 /nfs/dbraw/zinc/05/82/63/619058263.db2.gz ZBOADARXLFBJEW-UHFFFAOYSA-N 1 0 314.385 3.029 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)C2CCOCC2)c1 ZINC000897451395 619129196 /nfs/dbraw/zinc/12/91/96/619129196.db2.gz MBUQSNRNYQAQQY-UHFFFAOYSA-N 1 0 307.434 3.333 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897463676 619130665 /nfs/dbraw/zinc/13/06/65/619130665.db2.gz BDNAPUBIIKYIEG-LBPRGKRZSA-N 1 0 316.357 3.202 20 10 DGCDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)c1ccccc1[N+](=O)[O-] ZINC000897466619 619130912 /nfs/dbraw/zinc/13/09/12/619130912.db2.gz YFUIQGDPCJHNDF-NSHDSACASA-N 1 0 304.321 3.333 20 10 DGCDRO CCOCc1cc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)ccc1OC ZINC000897539248 619152441 /nfs/dbraw/zinc/15/24/41/619152441.db2.gz VLMORXLUXNRVMN-WMZOPIPTSA-N 1 0 321.461 3.263 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCOC23CCCCC3)c1O ZINC000897727268 619175526 /nfs/dbraw/zinc/17/55/26/619175526.db2.gz JSOJKRWRWPBALS-MRXNPFEDSA-N 1 0 305.418 3.291 20 10 DGCDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCc1ccc(N)cc1 ZINC000841035960 619176042 /nfs/dbraw/zinc/17/60/42/619176042.db2.gz RBHANNVBFPVZBK-UHFFFAOYSA-N 1 0 300.450 3.169 20 10 DGCDRO C[C@H]1CC2(CC([NH2+]C/C=C/c3ccc(N(C)C)cc3)C2)CO1 ZINC000897775166 619179192 /nfs/dbraw/zinc/17/91/92/619179192.db2.gz BKERTLPDSJLMLG-DOSNKDKPSA-N 1 0 300.446 3.313 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC23CC(O)C3)cc1 ZINC000897855211 619184513 /nfs/dbraw/zinc/18/45/13/619184513.db2.gz WKXXZQXQHLHPCQ-JLAWEPINSA-N 1 0 302.462 3.316 20 10 DGCDRO Cc1ccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)c(O)c1 ZINC000897859946 619193822 /nfs/dbraw/zinc/19/38/22/619193822.db2.gz NWFPOMQGDSOPIX-UHFFFAOYSA-N 1 0 311.381 3.251 20 10 DGCDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1c(O)cccc1Br ZINC000897966781 619200312 /nfs/dbraw/zinc/20/03/12/619200312.db2.gz GTFAKADHFOVGRW-NSHDSACASA-N 1 0 321.218 3.271 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CCO)cc2)c(Cl)c1 ZINC000898169962 619220228 /nfs/dbraw/zinc/22/02/28/619220228.db2.gz WOMKIHNILNSUEE-UHFFFAOYSA-N 1 0 305.805 3.179 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1cnn(CC2CCC2)c1 ZINC000898179064 619223272 /nfs/dbraw/zinc/22/32/72/619223272.db2.gz GZDKBEWEAIOPMO-LBPRGKRZSA-N 1 0 303.381 3.379 20 10 DGCDRO CC[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccccc1O ZINC000926966222 619254050 /nfs/dbraw/zinc/25/40/50/619254050.db2.gz ZFLKBVJPDDOCPS-OCCSQVGLSA-N 1 0 304.356 3.316 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000898482255 619278390 /nfs/dbraw/zinc/27/83/90/619278390.db2.gz AVYHYKRXNPVMGQ-UIZHIOIMSA-N 1 0 316.445 3.087 20 10 DGCDRO COC(=O)C1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000898611703 619288320 /nfs/dbraw/zinc/28/83/20/619288320.db2.gz YCUYMZGORVFOPX-UHFFFAOYSA-N 1 0 313.397 3.367 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2N)c2c1c(F)ccc2O ZINC000902437013 619635844 /nfs/dbraw/zinc/63/58/44/619635844.db2.gz GHLKTPQPWANSFV-NYGAIPDWSA-N 1 0 312.388 3.294 20 10 DGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1nncn1C ZINC000903064066 619709193 /nfs/dbraw/zinc/70/91/93/619709193.db2.gz KIXROOCIXSEZSF-HZMBPMFUSA-N 1 0 308.813 3.222 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC000903174994 619730291 /nfs/dbraw/zinc/73/02/91/619730291.db2.gz BRECDKGGDNSCQR-WZRBSPASSA-N 1 0 301.308 3.079 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000903180305 619731232 /nfs/dbraw/zinc/73/12/32/619731232.db2.gz YWHRDTKWZKNJQU-MJVIPROJSA-N 1 0 303.324 3.461 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(N(C)C)ccn2)c2c1c(F)ccc2O ZINC000903198070 619735005 /nfs/dbraw/zinc/73/50/05/619735005.db2.gz FDUZDJNGASSORG-IAQYHMDHSA-N 1 0 315.392 3.330 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(N(C)C)cc1 ZINC000903202051 619736101 /nfs/dbraw/zinc/73/61/01/619736101.db2.gz VEADLYPKMCICQT-IBGZPJMESA-N 1 0 312.461 3.455 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nc(CN(C)C)cs2)c(O)c1 ZINC000903219794 619741027 /nfs/dbraw/zinc/74/10/27/619741027.db2.gz KDXVSQVEUGQRLD-ZDUSSCGKSA-N 1 0 319.474 3.378 20 10 DGCDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000903238725 619742112 /nfs/dbraw/zinc/74/21/12/619742112.db2.gz URFJZDVAUQELOW-CYBMUJFWSA-N 1 0 318.417 3.026 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000903276695 619751304 /nfs/dbraw/zinc/75/13/04/619751304.db2.gz PGJXBSGPZRPOEB-NDXORKPFSA-N 1 0 324.468 3.496 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C2CC3(C2)COC(C)(C)C3)c1O ZINC000903326456 619761651 /nfs/dbraw/zinc/76/16/51/619761651.db2.gz QFCSUOGRWMKVAE-ZVLZOBCMSA-N 1 0 305.418 3.399 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)c1O ZINC000903395296 619767023 /nfs/dbraw/zinc/76/70/23/619767023.db2.gz KUCGXPACSSGDRB-OUJBWJOFSA-N 1 0 314.223 3.149 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCCN(CC)C1=O)c1cc(Cl)ccc1O ZINC000903389741 619770530 /nfs/dbraw/zinc/77/05/30/619770530.db2.gz WMAUISKEPUMMON-KBPBESRZSA-N 1 0 310.825 3.097 20 10 DGCDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1=O ZINC000903389782 619770956 /nfs/dbraw/zinc/77/09/56/619770956.db2.gz XFUPDQGOGNNIQX-SMDDNHRTSA-N 1 0 310.825 3.016 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1cc(Cl)ccc1O ZINC000903404292 619771001 /nfs/dbraw/zinc/77/10/01/619771001.db2.gz ZJXCRDOCAIDAOQ-GFCCVEGCSA-N 1 0 305.805 3.431 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2c(C)nc3ccccn32)c1O ZINC000903420876 619776316 /nfs/dbraw/zinc/77/63/16/619776316.db2.gz DTRTVUBCNQAWCC-LBPRGKRZSA-N 1 0 311.385 3.208 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccns1 ZINC000903447676 619778093 /nfs/dbraw/zinc/77/80/93/619778093.db2.gz AUVHPNSFYRKLGF-CZUORRHYSA-N 1 0 318.490 3.163 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000903945142 619842966 /nfs/dbraw/zinc/84/29/66/619842966.db2.gz QUTDIEHHPKMZJP-UHFFFAOYSA-N 1 0 311.429 3.038 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904575849 619933855 /nfs/dbraw/zinc/93/38/55/619933855.db2.gz VNJMFABXIYRABM-UHFFFAOYSA-N 1 0 313.401 3.250 20 10 DGCDRO Cc1cccc([C@@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000905109907 619972403 /nfs/dbraw/zinc/97/24/03/619972403.db2.gz KBZDPHVCSCMBAH-AWEZNQCLSA-N 1 0 308.472 3.257 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)c1O ZINC000905705020 620019011 /nfs/dbraw/zinc/01/90/11/620019011.db2.gz JXTBQLRIYGASKZ-GFCCVEGCSA-N 1 0 321.364 3.189 20 10 DGCDRO Cn1nccc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000905734054 620024138 /nfs/dbraw/zinc/02/41/38/620024138.db2.gz BDEIKDFEPBDPOD-SFHVURJKSA-N 1 0 311.429 3.342 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CCSC)CC2)cc1 ZINC000151087606 620422677 /nfs/dbraw/zinc/42/26/77/620422677.db2.gz DJPPFBAJZCYUTI-AWEZNQCLSA-N 1 0 308.491 3.395 20 10 DGCDRO O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1Cc2cccc(O)c2C1 ZINC000913725793 620475014 /nfs/dbraw/zinc/47/50/14/620475014.db2.gz APXAPFSIFMJLTF-UHFFFAOYSA-N 1 0 321.380 3.152 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1F ZINC000153171142 620536254 /nfs/dbraw/zinc/53/62/54/620536254.db2.gz UPGDPEKIDRKENL-FZNQNYSPSA-N 1 0 308.441 3.313 20 10 DGCDRO COCC[N@H+](Cc1ccccc1)Cc1cc(C)cc(OC)c1O ZINC000915807529 620598715 /nfs/dbraw/zinc/59/87/15/620598715.db2.gz FIQNUXCUBPXXTH-UHFFFAOYSA-N 1 0 315.413 3.358 20 10 DGCDRO CCC[NH+]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000915816646 620599269 /nfs/dbraw/zinc/59/92/69/620599269.db2.gz MWALLTPWHMKRTG-UHFFFAOYSA-N 1 0 320.477 3.226 20 10 DGCDRO CC[N@H+](CCOC)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000921047602 620835117 /nfs/dbraw/zinc/83/51/17/620835117.db2.gz ZFMWPRFZPJMZAS-UHFFFAOYSA-N 1 0 303.402 3.486 20 10 DGCDRO COc1cc2c(cc1C[NH2+]Cc1cc(C)ccc1O)O[C@H](C)C2 ZINC000113319775 620900537 /nfs/dbraw/zinc/90/05/37/620900537.db2.gz CFBDVDIBWVFTPE-CYBMUJFWSA-N 1 0 313.397 3.322 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000113334626 620904304 /nfs/dbraw/zinc/90/43/04/620904304.db2.gz IWKUFUCRFCFXHO-UHFFFAOYSA-N 1 0 319.788 3.497 20 10 DGCDRO Cc1ccn2cc(C[NH2+]Cc3ccc4c(c3)CCCO4)nc2c1 ZINC000921687712 620933870 /nfs/dbraw/zinc/93/38/70/620933870.db2.gz JIMFYUYXGMMVSB-UHFFFAOYSA-N 1 0 307.397 3.258 20 10 DGCDRO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H]2CCCO[C@H]21 ZINC000921782119 620949220 /nfs/dbraw/zinc/94/92/20/620949220.db2.gz QWTFLWDUCYFGMJ-KBAYOESNSA-N 1 0 301.430 3.305 20 10 DGCDRO CSC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000921788786 620949677 /nfs/dbraw/zinc/94/96/77/620949677.db2.gz RPMSKEITKKHVNW-UHFFFAOYSA-N 1 0 307.459 3.013 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(C3CCC3)c2)c1 ZINC000922215671 621006909 /nfs/dbraw/zinc/00/69/09/621006909.db2.gz DNZDSJARZWTEDB-GFCCVEGCSA-N 1 0 301.390 3.173 20 10 DGCDRO COC(OC)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000922311189 621021521 /nfs/dbraw/zinc/02/15/21/621021521.db2.gz CIIGWWCUMOEODF-ZDUSSCGKSA-N 1 0 301.386 3.156 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000856807379 621024269 /nfs/dbraw/zinc/02/42/69/621024269.db2.gz NWWNGRZNGPNKCW-LLVKDONJSA-N 1 0 304.217 3.464 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC[C@@H]3CC[C@H]4C[C@H]43)cc2)CC1 ZINC000922431336 621037552 /nfs/dbraw/zinc/03/75/52/621037552.db2.gz JFIOQPFYTVXFBF-ZWOKBUDYSA-N 1 0 314.473 3.174 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1C ZINC000922457296 621039961 /nfs/dbraw/zinc/03/99/61/621039961.db2.gz IQCYUHFWCNJUJQ-GXTWGEPZSA-N 1 0 303.324 3.209 20 10 DGCDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1c(O)cccc1Cl ZINC000922561639 621055991 /nfs/dbraw/zinc/05/59/91/621055991.db2.gz QUYHHHBBWKJBIH-UHFFFAOYSA-N 1 0 305.805 3.445 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000922679787 621080183 /nfs/dbraw/zinc/08/01/83/621080183.db2.gz REINGMIWKDRCFA-CABCVRRESA-N 1 0 316.367 3.342 20 10 DGCDRO Cc1cc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)nn1C ZINC000922694228 621080820 /nfs/dbraw/zinc/08/08/20/621080820.db2.gz YRXRXNXNZRFAHQ-UHFFFAOYSA-N 1 0 312.461 3.051 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCc2cc(C)n(C)n2)cc1C ZINC000922685810 621081341 /nfs/dbraw/zinc/08/13/41/621081341.db2.gz AGOCVEHXSTZKLG-UHFFFAOYSA-N 1 0 301.434 3.158 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 ZINC000922723498 621090713 /nfs/dbraw/zinc/09/07/13/621090713.db2.gz MWESYHFCUKYNTQ-SCTDSRPQSA-N 1 0 300.446 3.214 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@]3(C)CCCCO3)CC2)cc1 ZINC000922817694 621104649 /nfs/dbraw/zinc/10/46/49/621104649.db2.gz VSJYFWHJUMWONW-LJQANCHMSA-N 1 0 318.461 3.213 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCS1 ZINC000922838898 621107784 /nfs/dbraw/zinc/10/77/84/621107784.db2.gz OXWADVUMCINHRV-HOCLYGCPSA-N 1 0 320.502 3.021 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3c(O)cccc3Cl)C2)n1 ZINC000922864193 621110974 /nfs/dbraw/zinc/11/09/74/621110974.db2.gz CADVDUHBGZBVIE-GHMZBOCLSA-N 1 0 321.808 3.417 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115543729 621117805 /nfs/dbraw/zinc/11/78/05/621117805.db2.gz JNYRUZALAPDJBE-KRWDZBQOSA-N 1 0 310.397 3.020 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(C)cc1O ZINC000857876937 621127118 /nfs/dbraw/zinc/12/71/18/621127118.db2.gz ISINWAFVICWKEJ-MJGOQNOKSA-N 1 0 324.424 3.455 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000922898985 621129241 /nfs/dbraw/zinc/12/92/41/621129241.db2.gz UXVGQSJXCUPGPQ-KSSFIOAISA-N 1 0 305.418 3.086 20 10 DGCDRO COC[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000922948471 621136248 /nfs/dbraw/zinc/13/62/48/621136248.db2.gz YTSDAHQENGQFDY-MRXNPFEDSA-N 1 0 320.477 3.172 20 10 DGCDRO COc1cccc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)c1O ZINC000922958950 621138017 /nfs/dbraw/zinc/13/80/17/621138017.db2.gz BXYAJKBDSBITSJ-IBGZPJMESA-N 1 0 313.397 3.196 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858105976 621153245 /nfs/dbraw/zinc/15/32/45/621153245.db2.gz PDJPMKQQSHGQAH-CCKFTAQKSA-N 1 0 300.446 3.047 20 10 DGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858125694 621155674 /nfs/dbraw/zinc/15/56/74/621155674.db2.gz KXTDOIVWDJSBLY-SECBINFHSA-N 1 0 324.222 3.047 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnc(F)c2)cc1F ZINC000858132794 621156176 /nfs/dbraw/zinc/15/61/76/621156176.db2.gz LBNUKLKLLAWGFW-UHFFFAOYSA-N 1 0 305.372 3.496 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000858146355 621157959 /nfs/dbraw/zinc/15/79/59/621157959.db2.gz VODFWDHHOFEWMN-JLZZUVOBSA-N 1 0 324.415 3.324 20 10 DGCDRO Cc1nccn1CCCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858145490 621158055 /nfs/dbraw/zinc/15/80/55/621158055.db2.gz WEFAFWJMRAFBPZ-UHFFFAOYSA-N 1 0 322.403 3.106 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccnc(F)c1 ZINC000858179017 621162157 /nfs/dbraw/zinc/16/21/57/621162157.db2.gz DTKDPEQOPMTHLA-AWEZNQCLSA-N 1 0 301.409 3.316 20 10 DGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@H]2C[C@H]2C1 ZINC000858290842 621172558 /nfs/dbraw/zinc/17/25/58/621172558.db2.gz IMNCANLSBCULES-DZFIZOCASA-N 1 0 300.446 3.049 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)[C@@H]3CCCCO3)C2)cc1 ZINC000858428485 621189508 /nfs/dbraw/zinc/18/95/08/621189508.db2.gz URKCKEAJQOPPEP-FCEWJHQRSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCCC2)c1O ZINC000858464168 621194274 /nfs/dbraw/zinc/19/42/74/621194274.db2.gz ILCFFLXMAUIIMK-GDBMZVCRSA-N 1 0 318.461 3.458 20 10 DGCDRO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000858471987 621195337 /nfs/dbraw/zinc/19/53/37/621195337.db2.gz FYKJPYYBIQMOOW-WFASDCNBSA-N 1 0 311.381 3.458 20 10 DGCDRO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000858473535 621195677 /nfs/dbraw/zinc/19/56/77/621195677.db2.gz PBVKXDDZFGVHQK-LRDDRELGSA-N 1 0 315.413 3.183 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(N(C)C)cc1 ZINC000858478900 621196375 /nfs/dbraw/zinc/19/63/75/621196375.db2.gz DQAFGZJNIUFDBY-CZUORRHYSA-N 1 0 311.420 3.133 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858546067 621203426 /nfs/dbraw/zinc/20/34/26/621203426.db2.gz YHXGIGUSBXVCEI-OFQRWUPVSA-N 1 0 306.425 3.238 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc2ccccc2c1O ZINC000858602987 621208903 /nfs/dbraw/zinc/20/89/03/621208903.db2.gz ONUMZUWYTAJVIW-SCLBCKFNSA-N 1 0 324.424 3.349 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Cl)ccc1O ZINC000858603955 621209066 /nfs/dbraw/zinc/20/90/66/621209066.db2.gz YIJHLQWZRRHHEY-HUUCEWRRSA-N 1 0 322.836 3.240 20 10 DGCDRO CC(C)[N@H+](CCOC1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000859081566 621246620 /nfs/dbraw/zinc/24/66/20/621246620.db2.gz HDSLLARVXVFKDG-UHFFFAOYSA-N 1 0 320.477 3.159 20 10 DGCDRO COc1cncc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000859140387 621252874 /nfs/dbraw/zinc/25/28/74/621252874.db2.gz URLFYYWNUWRUEB-UHFFFAOYSA-N 1 0 313.401 3.136 20 10 DGCDRO COCCOC1CC[NH+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000116869045 621300390 /nfs/dbraw/zinc/30/03/90/621300390.db2.gz FMXWCYMSUUWHBI-UHFFFAOYSA-N 1 0 321.461 3.451 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CC2(C1)CCCOC2 ZINC000839138571 621339461 /nfs/dbraw/zinc/33/94/61/621339461.db2.gz NMEGAVFTRRVSHF-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO OCCC1C[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000839135867 621339514 /nfs/dbraw/zinc/33/95/14/621339514.db2.gz JRAGWLFANWBHMF-UHFFFAOYSA-N 1 0 322.452 3.064 20 10 DGCDRO C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000839180113 621343180 /nfs/dbraw/zinc/34/31/80/621343180.db2.gz CIRKRLQYXCJHKG-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO CCN(C)c1ccc(C[N@H+]2[C@H](C)C[C@@H](C(=O)OC)C[C@@H]2C)cc1 ZINC000860190997 621379489 /nfs/dbraw/zinc/37/94/89/621379489.db2.gz YUKAYZZGROLOBV-SCAQPMJSSA-N 1 0 318.461 3.305 20 10 DGCDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000117393081 621392770 /nfs/dbraw/zinc/39/27/70/621392770.db2.gz RIAWEWAMTIBCQQ-WMZOPIPTSA-N 1 0 320.502 3.287 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000753966566 621475296 /nfs/dbraw/zinc/47/52/96/621475296.db2.gz ZGVGMQTYMUZCKS-HXUWFJFHSA-N 1 0 312.457 3.442 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CCO)c2cccs2)c1O ZINC000754392688 621508219 /nfs/dbraw/zinc/50/82/19/621508219.db2.gz CCLWSQMHWCSIOG-CQSZACIVSA-N 1 0 323.389 3.009 20 10 DGCDRO CN(C)c1cc(F)c(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1F ZINC000862235367 621564879 /nfs/dbraw/zinc/56/48/79/621564879.db2.gz HJNTUTXKOCDGHM-UHFFFAOYSA-N 1 0 320.387 3.134 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1F ZINC000862250519 621567520 /nfs/dbraw/zinc/56/75/20/621567520.db2.gz PZLUTWJBUHSGLF-AWEZNQCLSA-N 1 0 324.415 3.279 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000862253101 621567957 /nfs/dbraw/zinc/56/79/57/621567957.db2.gz IQZWHLUSIDGSKW-UONOGXRCSA-N 1 0 324.415 3.279 20 10 DGCDRO C[C@H]1CCSCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862343561 621575420 /nfs/dbraw/zinc/57/54/20/621575420.db2.gz SMOQNXLAGNQCBS-NSHDSACASA-N 1 0 300.418 3.358 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)CCS1 ZINC000862346008 621576112 /nfs/dbraw/zinc/57/61/12/621576112.db2.gz JSVZDLIFJRJOCD-JTQLQIEISA-N 1 0 316.264 3.482 20 10 DGCDRO CN1C[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)CCC1=O ZINC000862428437 621588580 /nfs/dbraw/zinc/58/85/80/621588580.db2.gz QGHFIPAJGMOBKB-GOSISDBHSA-N 1 0 324.424 3.112 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](OC)c2cccc(OC)c2)c1O ZINC000862433158 621589315 /nfs/dbraw/zinc/58/93/15/621589315.db2.gz CNCZANIYIGNRMO-GOSISDBHSA-N 1 0 315.413 3.441 20 10 DGCDRO COC(=O)Cc1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000862448200 621591502 /nfs/dbraw/zinc/59/15/02/621591502.db2.gz VJOQVBXCGJXAAY-UHFFFAOYSA-N 1 0 313.397 3.009 20 10 DGCDRO FC1(F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000862466058 621592341 /nfs/dbraw/zinc/59/23/41/621592341.db2.gz CRIJCZMBIZDQMR-UHFFFAOYSA-N 1 0 310.388 3.144 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862489557 621595590 /nfs/dbraw/zinc/59/55/90/621595590.db2.gz PDHKMQYUOPDXNS-OSJSJHBBSA-N 1 0 314.429 3.007 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1O ZINC000862540130 621598222 /nfs/dbraw/zinc/59/82/22/621598222.db2.gz ADBBEKUZTVFZDX-HNNXBMFYSA-N 1 0 313.397 3.486 20 10 DGCDRO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000756106329 621615252 /nfs/dbraw/zinc/61/52/52/621615252.db2.gz IHMORIFFYFZLMG-JXFKEZNVSA-N 1 0 315.505 3.495 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2cc(C)c(C)cc2O)CCCCC1 ZINC000756131103 621617261 /nfs/dbraw/zinc/61/72/61/621617261.db2.gz HWXZECZBLALWLZ-UHFFFAOYSA-N 1 0 305.418 3.365 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCCOC[C@H]2CCCO2)c2c1c(F)ccc2O ZINC000756357030 621630521 /nfs/dbraw/zinc/63/05/21/621630521.db2.gz BIRAWZJSNNWHJM-UMVBOHGHSA-N 1 0 323.408 3.255 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)c2c1c(F)ccc2O ZINC000756355697 621630650 /nfs/dbraw/zinc/63/06/50/621630650.db2.gz VKYNRNFUCVPQQD-XFJVYGCCSA-N 1 0 301.361 3.403 20 10 DGCDRO C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756364022 621631379 /nfs/dbraw/zinc/63/13/79/621631379.db2.gz RWWHSEXFUYRGCW-AWEZNQCLSA-N 1 0 321.421 3.073 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c2cnn3C)c2c1c(F)ccc2O ZINC000756403763 621635883 /nfs/dbraw/zinc/63/58/83/621635883.db2.gz QYQKQIFGOPJZOY-SWHYSGLUSA-N 1 0 315.392 3.480 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)c2c1c(F)ccc2O ZINC000756416495 621636771 /nfs/dbraw/zinc/63/67/71/621636771.db2.gz HRKAMLTZRSXBIQ-SMDDNHRTSA-N 1 0 321.392 3.355 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCC2)c2c1c(F)ccc2O ZINC000756433734 621638332 /nfs/dbraw/zinc/63/83/32/621638332.db2.gz YGYRENBFOGVUJQ-GXTWGEPZSA-N 1 0 320.408 3.072 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)c(O)c1C ZINC000756440030 621638774 /nfs/dbraw/zinc/63/87/74/621638774.db2.gz CBYVZPAHVWNHMR-OAHLLOKOSA-N 1 0 318.461 3.499 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cc(F)ccc1O ZINC000756457846 621639560 /nfs/dbraw/zinc/63/95/60/621639560.db2.gz RRSMEYXDMPCEFP-OLZOCXBDSA-N 1 0 301.361 3.433 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2CO)c2c1c(F)ccc2O ZINC000756459508 621640179 /nfs/dbraw/zinc/64/01/79/621640179.db2.gz ORKDJHMXMWKENR-NHYWBVRUSA-N 1 0 301.361 3.362 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(F)ccc1O ZINC000756460838 621640189 /nfs/dbraw/zinc/64/01/89/621640189.db2.gz UIRHEQNVTUYNLI-HIFRSBDPSA-N 1 0 303.377 3.033 20 10 DGCDRO COCCOCCCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756518448 621644502 /nfs/dbraw/zinc/64/45/02/621644502.db2.gz WLGQQXTZQXCNLL-HNNXBMFYSA-N 1 0 321.461 3.365 20 10 DGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756537081 621646089 /nfs/dbraw/zinc/64/60/89/621646089.db2.gz ZTFNCEFKNIIUOV-ISTVAULSSA-N 1 0 303.381 3.472 20 10 DGCDRO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cc2c(cc1O)CCCC2 ZINC000756585099 621651036 /nfs/dbraw/zinc/65/10/36/621651036.db2.gz XEFSVUYCFQHNFH-RHSMWYFYSA-N 1 0 319.445 3.117 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Cl)ccc1O ZINC000756582124 621651185 /nfs/dbraw/zinc/65/11/85/621651185.db2.gz GJWDGBXSBHTWNM-OBJOEFQTSA-N 1 0 324.852 3.343 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000756603428 621652291 /nfs/dbraw/zinc/65/22/91/621652291.db2.gz BPDNXAOWSRYLME-GAJTVXKRSA-N 1 0 305.349 3.304 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756611150 621652548 /nfs/dbraw/zinc/65/25/48/621652548.db2.gz KEPOWSMPXSUDHX-ZQIUZPCESA-N 1 0 302.462 3.404 20 10 DGCDRO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756626258 621653639 /nfs/dbraw/zinc/65/36/39/621653639.db2.gz BJUOXVZWHIXJBL-LSDHHAIUSA-N 1 0 302.462 3.263 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)c1 ZINC000756630997 621654175 /nfs/dbraw/zinc/65/41/75/621654175.db2.gz WXEAXIDVFMCZQC-GFCCVEGCSA-N 1 0 311.385 3.436 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756638641 621655041 /nfs/dbraw/zinc/65/50/41/621655041.db2.gz VKEOMNGQKBFDFL-CZUORRHYSA-N 1 0 303.377 3.440 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c2c1c(F)ccc2O ZINC000756640102 621655181 /nfs/dbraw/zinc/65/51/81/621655181.db2.gz IRUPUQUBAOJXII-FJJYHAOUSA-N 1 0 304.409 3.294 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756638637 621655334 /nfs/dbraw/zinc/65/53/34/621655334.db2.gz VKEOMNGQKBFDFL-BBRMVZONSA-N 1 0 303.377 3.440 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2NC(C)=O)c1 ZINC000756734300 621661299 /nfs/dbraw/zinc/66/12/99/621661299.db2.gz VQOKQJFNJSCTTI-GFCCVEGCSA-N 1 0 314.385 3.210 20 10 DGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)C2 ZINC000756776231 621663752 /nfs/dbraw/zinc/66/37/52/621663752.db2.gz XISLTPULYXWZOF-DZGCQCFKSA-N 1 0 313.397 3.364 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc2ccccc2c1O ZINC000756792120 621664858 /nfs/dbraw/zinc/66/48/58/621664858.db2.gz YSLKGMFFSKLENP-CYBMUJFWSA-N 1 0 322.412 3.252 20 10 DGCDRO CO[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(F)(F)F ZINC000756835120 621667136 /nfs/dbraw/zinc/66/71/36/621667136.db2.gz MTYWDSQPRBUXOH-JVUFJMBOSA-N 1 0 307.287 3.247 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000119435004 621668186 /nfs/dbraw/zinc/66/81/86/621668186.db2.gz UCIAODUGTNJMJZ-GJZGRUSLSA-N 1 0 318.461 3.210 20 10 DGCDRO COc1ccc(N2CC[NH+](CCCOC(C)(C)C)CC2)cc1F ZINC000756896812 621670988 /nfs/dbraw/zinc/67/09/88/621670988.db2.gz LQIRMIJAUOCBHL-UHFFFAOYSA-N 1 0 324.440 3.162 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)CCCC2 ZINC000789500068 625511768 /nfs/dbraw/zinc/51/17/68/625511768.db2.gz BZPDCUJLXWFVAS-IEBWSBKVSA-N 1 0 301.430 3.414 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000757652880 621731198 /nfs/dbraw/zinc/73/11/98/621731198.db2.gz GONDENUWEGJFFR-KBPBESRZSA-N 1 0 319.401 3.292 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c(O)c1C ZINC000757660868 621731995 /nfs/dbraw/zinc/73/19/95/621731995.db2.gz JWEPTNRIYQTPRD-CQSZACIVSA-N 1 0 324.424 3.146 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1F ZINC000864053444 621732668 /nfs/dbraw/zinc/73/26/68/621732668.db2.gz KQFSYKHWRJZIEW-SCLBCKFNSA-N 1 0 324.415 3.326 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1n1ccnc1 ZINC000759156655 621829828 /nfs/dbraw/zinc/82/98/28/621829828.db2.gz HJDKUIGLUGDTQF-KDOFPFPSSA-N 1 0 322.412 3.220 20 10 DGCDRO Cn1nc(C[NH2+]Cc2cc(Cl)ccc2O)c2ccccc21 ZINC000759190023 621834372 /nfs/dbraw/zinc/83/43/72/621834372.db2.gz HJYQQLSTDQEMLV-UHFFFAOYSA-N 1 0 301.777 3.222 20 10 DGCDRO CC(=O)Nc1cccc(C[NH2+]CCCSc2nccs2)c1 ZINC000865468377 621928063 /nfs/dbraw/zinc/92/80/63/621928063.db2.gz HAKDSWCZMNDSRV-UHFFFAOYSA-N 1 0 321.471 3.374 20 10 DGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000760886936 621972007 /nfs/dbraw/zinc/97/20/07/621972007.db2.gz OZHBLXJQCHXTLI-JEBQAFNWSA-N 1 0 315.413 3.390 20 10 DGCDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000789587532 625529604 /nfs/dbraw/zinc/52/96/04/625529604.db2.gz YOYKHIJIIGMRQA-BRWVUGGUSA-N 1 0 302.462 3.390 20 10 DGCDRO COCC1(C)CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761213026 621994854 /nfs/dbraw/zinc/99/48/54/621994854.db2.gz AKPZXUVWZDRJQK-UHFFFAOYSA-N 1 0 313.825 3.303 20 10 DGCDRO CC[C@H]1C[C@H](CN(C)c2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000761222679 621995465 /nfs/dbraw/zinc/99/54/65/621995465.db2.gz LHTFZXZEVSESIV-AEFFLSMTSA-N 1 0 320.477 3.268 20 10 DGCDRO CC[C@H]1C[C@@H](CN(C)c2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000761222688 621995572 /nfs/dbraw/zinc/99/55/72/621995572.db2.gz LHTFZXZEVSESIV-WMZOPIPTSA-N 1 0 320.477 3.268 20 10 DGCDRO CC[N@H+](CCC1CC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000761227049 621995836 /nfs/dbraw/zinc/99/58/36/621995836.db2.gz ZLKGNQNRBCCBDS-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCSCCC(F)(F)F ZINC000865788209 621996277 /nfs/dbraw/zinc/99/62/77/621996277.db2.gz HZPHWJAZBYPFMG-UHFFFAOYSA-N 1 0 309.353 3.176 20 10 DGCDRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000865806952 621998425 /nfs/dbraw/zinc/99/84/25/621998425.db2.gz UZGSCUMUVXNIFQ-INIZCTEOSA-N 1 0 302.805 3.322 20 10 DGCDRO CCOc1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c(O)c1 ZINC000865857333 622009633 /nfs/dbraw/zinc/00/96/33/622009633.db2.gz REIMTQWPMVFGPK-KRWDZBQOSA-N 1 0 305.418 3.372 20 10 DGCDRO c1cnc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000866241173 622074043 /nfs/dbraw/zinc/07/40/43/622074043.db2.gz XTWGVLWDVMRLGT-HXUWFJFHSA-N 1 0 323.440 3.085 20 10 DGCDRO CCC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000866414655 622114063 /nfs/dbraw/zinc/11/40/63/622114063.db2.gz JINAAGQFLUMLME-ZYHUDNBSSA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)CC1(C)OCCO1 ZINC000866424138 622115124 /nfs/dbraw/zinc/11/51/24/622115124.db2.gz CPDOCTRQZGGKIU-VXGBXAGGSA-N 1 0 313.825 3.485 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1O ZINC000866446048 622120058 /nfs/dbraw/zinc/12/00/58/622120058.db2.gz OEFISODGUZYHMV-YTRYYAAASA-N 1 0 307.821 3.428 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)on1 ZINC000866515216 622130959 /nfs/dbraw/zinc/13/09/59/622130959.db2.gz DIBLUONDXKMDDI-SECBINFHSA-N 1 0 324.764 3.061 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1cc(F)ccc1O ZINC000866563049 622138740 /nfs/dbraw/zinc/13/87/40/622138740.db2.gz JGJCBJSPIVCLTA-PXAZEXFGSA-N 1 0 300.377 3.369 20 10 DGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000866634207 622150763 /nfs/dbraw/zinc/15/07/63/622150763.db2.gz BYSATZOLZVAMKV-HOSYDEDBSA-N 1 0 316.239 3.355 20 10 DGCDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1O ZINC000868015324 622205155 /nfs/dbraw/zinc/20/51/55/622205155.db2.gz USTQWBSBPBFYNU-CQSZACIVSA-N 1 0 319.449 3.017 20 10 DGCDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000764708153 622214963 /nfs/dbraw/zinc/21/49/63/622214963.db2.gz PXHPURCQIRUQFP-OAHLLOKOSA-N 1 0 314.429 3.491 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000764769806 622218985 /nfs/dbraw/zinc/21/89/85/622218985.db2.gz LLBYIPYMNUJLPR-SGTLLEGYSA-N 1 0 320.383 3.415 20 10 DGCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868249040 622228067 /nfs/dbraw/zinc/22/80/67/622228067.db2.gz IJHRRSHCKNNHLV-LSDHHAIUSA-N 1 0 319.449 3.017 20 10 DGCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868249038 622228127 /nfs/dbraw/zinc/22/81/27/622228127.db2.gz IJHRRSHCKNNHLV-HUUCEWRRSA-N 1 0 319.449 3.017 20 10 DGCDRO C[C@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764949800 622234881 /nfs/dbraw/zinc/23/48/81/622234881.db2.gz NCRPNDZVCFRONX-ZACQAIPSSA-N 1 0 303.494 3.381 20 10 DGCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000765100773 622246060 /nfs/dbraw/zinc/24/60/60/622246060.db2.gz AGMWPYNEFAGPQD-INIZCTEOSA-N 1 0 319.493 3.269 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC)C2)cc1 ZINC000765628111 622277843 /nfs/dbraw/zinc/27/78/43/622277843.db2.gz BISYORDQEDJGDR-GOEBONIOSA-N 1 0 319.449 3.024 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)OC)C2)cc1 ZINC000765628112 622277888 /nfs/dbraw/zinc/27/78/88/622277888.db2.gz BISYORDQEDJGDR-HOCLYGCPSA-N 1 0 319.449 3.024 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1 ZINC000766090534 622305072 /nfs/dbraw/zinc/30/50/72/622305072.db2.gz VIMNBYAPDZRDIG-DLBZAZTESA-N 1 0 307.434 3.473 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1O ZINC000766090469 622305197 /nfs/dbraw/zinc/30/51/97/622305197.db2.gz TUOLFRFSGWPTNK-HOTGVXAUSA-N 1 0 307.434 3.473 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(O)Cc3ccccc3C2)cc1 ZINC000766093417 622305565 /nfs/dbraw/zinc/30/55/65/622305565.db2.gz GCWPXUVIVWQWBE-MRXNPFEDSA-N 1 0 324.468 3.323 20 10 DGCDRO C[C@H](O)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000789758203 625562314 /nfs/dbraw/zinc/56/23/14/625562314.db2.gz QMWCONNDZTYHBP-HNNXBMFYSA-N 1 0 315.413 3.222 20 10 DGCDRO CC1(C)C[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC(C)(C)C1 ZINC000767516298 622403106 /nfs/dbraw/zinc/40/31/06/622403106.db2.gz QOSUJJARVDSRSK-OAHLLOKOSA-N 1 0 305.418 3.076 20 10 DGCDRO CCOC(C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)OCC ZINC000767757687 622420181 /nfs/dbraw/zinc/42/01/81/622420181.db2.gz AHURRFIEUNRGNO-UHFFFAOYSA-N 1 0 306.450 3.116 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)ccc1O ZINC000768183161 622443607 /nfs/dbraw/zinc/44/36/07/622443607.db2.gz NFVDTYFOVPKFMV-UHFFFAOYSA-N 1 0 319.788 3.449 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2c(O)cccc2OC)cc1F ZINC000768201357 622444913 /nfs/dbraw/zinc/44/49/13/622444913.db2.gz VPUGJRWUUPUHII-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO COCC[N@H+](Cc1cccs1)Cc1c(O)cccc1OC ZINC000768196495 622445051 /nfs/dbraw/zinc/44/50/51/622445051.db2.gz DMZCMHNUUZHNKB-UHFFFAOYSA-N 1 0 307.415 3.111 20 10 DGCDRO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439049 622455620 /nfs/dbraw/zinc/45/56/20/622455620.db2.gz YVTPZGPBKCAVSP-INIZCTEOSA-N 1 0 319.788 3.103 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](C1CC1)C1CCCCC1)[C@@H](O)CO2 ZINC000768439229 622456067 /nfs/dbraw/zinc/45/60/67/622456067.db2.gz JBLKKOHSCPDWGZ-KRWDZBQOSA-N 1 0 303.402 3.115 20 10 DGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(C)cc2O)C1(C)C ZINC000768445646 622457152 /nfs/dbraw/zinc/45/71/52/622457152.db2.gz HXFALVAPFCUJGB-IRXDYDNUSA-N 1 0 307.434 3.345 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1CN1CCCC1)CCCC2 ZINC000768447287 622457157 /nfs/dbraw/zinc/45/71/57/622457157.db2.gz OBVMPQUPNCNAOJ-IBGZPJMESA-N 1 0 314.473 3.331 20 10 DGCDRO COc1cc(C[NH+]2CCC(c3cccnc3)CC2)c(O)cc1C ZINC000768459115 622457407 /nfs/dbraw/zinc/45/74/07/622457407.db2.gz JRRTVDMPTSGYPQ-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2ccccc2F)cc1OC ZINC000768453605 622457570 /nfs/dbraw/zinc/45/75/70/622457570.db2.gz ZLRKVGOTEMKHRP-UHFFFAOYSA-N 1 0 319.376 3.223 20 10 DGCDRO CC(C)CC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768465162 622457931 /nfs/dbraw/zinc/45/79/31/622457931.db2.gz XXBZBZQNKFBGKK-QGZVFWFLSA-N 1 0 305.418 3.076 20 10 DGCDRO COCC[N@H+](CCc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000768583011 622465834 /nfs/dbraw/zinc/46/58/34/622465834.db2.gz DMYVHUXFWZWRED-UHFFFAOYSA-N 1 0 312.457 3.444 20 10 DGCDRO CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c(O)c1 ZINC000768892086 622483722 /nfs/dbraw/zinc/48/37/22/622483722.db2.gz FZELGONQDGOAGT-OAHLLOKOSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1cccc(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1O ZINC000768913684 622484809 /nfs/dbraw/zinc/48/48/09/622484809.db2.gz PGUJOTPLZKHFEI-HLLBOEOZSA-N 1 0 318.461 3.238 20 10 DGCDRO C[C@@H]1C[NH+](Cc2cc(Br)ccc2O)C[C@@H](C)S1 ZINC000769141828 622501870 /nfs/dbraw/zinc/50/18/70/622501870.db2.gz MQEPCMWBCNMCSU-NXEZZACHSA-N 1 0 316.264 3.481 20 10 DGCDRO CC(C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769403793 622525099 /nfs/dbraw/zinc/52/50/99/622525099.db2.gz WRLRICOHYXRHPI-SFHVURJKSA-N 1 0 302.462 3.391 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccco2)c2c1c(F)ccc2O ZINC000769412770 622525709 /nfs/dbraw/zinc/52/57/09/622525709.db2.gz ISTBOFFZSXGPHL-RTXFEEFZSA-N 1 0 305.349 3.386 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cccc(F)c3F)CC2)c1 ZINC000769425792 622526980 /nfs/dbraw/zinc/52/69/80/622526980.db2.gz VIOQMNYTVLIBPI-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)CCS1 ZINC000769449086 622528628 /nfs/dbraw/zinc/52/86/28/622528628.db2.gz XGZFNSFNAIRMEA-UHFFFAOYSA-N 1 0 316.264 3.482 20 10 DGCDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469633 622530530 /nfs/dbraw/zinc/53/05/30/622530530.db2.gz BWQKSDHFBSWOHL-HOCLYGCPSA-N 1 0 307.457 3.196 20 10 DGCDRO C[C@@H](NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccccc1O ZINC000870988402 622531215 /nfs/dbraw/zinc/53/12/15/622531215.db2.gz OQRXMJWEWALXLT-CJNGLKHVSA-N 1 0 324.424 3.262 20 10 DGCDRO C[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1ccccc1O ZINC000870988767 622531248 /nfs/dbraw/zinc/53/12/48/622531248.db2.gz ZBHDDGBZSPKKQN-DYVFJYSZSA-N 1 0 312.413 3.296 20 10 DGCDRO CCOc1cccc(C[N@@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)c1O ZINC000769472904 622531340 /nfs/dbraw/zinc/53/13/40/622531340.db2.gz KRVJSMPDFOSTOR-CVEARBPZSA-N 1 0 307.434 3.426 20 10 DGCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1c(O)cccc1OC ZINC000769498067 622533984 /nfs/dbraw/zinc/53/39/84/622533984.db2.gz LGUHOFSHYWOMBH-MRXNPFEDSA-N 1 0 315.413 3.174 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000769499896 622534490 /nfs/dbraw/zinc/53/44/90/622534490.db2.gz SJSZLOGKUAZNEI-LJQANCHMSA-N 1 0 310.441 3.407 20 10 DGCDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000769499187 622534564 /nfs/dbraw/zinc/53/45/64/622534564.db2.gz YJOVVNAERUKSDY-MSOLQXFVSA-N 1 0 318.461 3.230 20 10 DGCDRO CCOc1cccc(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000769548145 622539549 /nfs/dbraw/zinc/53/95/49/622539549.db2.gz FZGUDFPRWFUSQI-QAPCUYQASA-N 1 0 307.434 3.426 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(O)c1 ZINC000770319685 622621307 /nfs/dbraw/zinc/62/13/07/622621307.db2.gz AMDIVHWPQDWJTC-YOEHRIQHSA-N 1 0 315.417 3.071 20 10 DGCDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000770510860 622641076 /nfs/dbraw/zinc/64/10/76/622641076.db2.gz SMZAGWLNYOBQQI-AWEZNQCLSA-N 1 0 320.433 3.129 20 10 DGCDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000770510861 622641462 /nfs/dbraw/zinc/64/14/62/622641462.db2.gz SMZAGWLNYOBQQI-CQSZACIVSA-N 1 0 320.433 3.129 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@H]1CCCOC1 ZINC000872029557 622761853 /nfs/dbraw/zinc/76/18/53/622761853.db2.gz RUJPXVDIJDWZEF-ZWKOTPCHSA-N 1 0 302.462 3.364 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC(C)(C)CO3)CC2)cc1 ZINC000872108173 622810835 /nfs/dbraw/zinc/81/08/35/622810835.db2.gz XFZDNXWTZMOXPX-GOSISDBHSA-N 1 0 318.461 3.069 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000872111280 622814229 /nfs/dbraw/zinc/81/42/29/622814229.db2.gz CAXZNUJAUDJVSI-RYUDHWBXSA-N 1 0 311.809 3.348 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2oc(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000872123655 622820674 /nfs/dbraw/zinc/82/06/74/622820674.db2.gz SVQYBNJBUUTODE-GFCCVEGCSA-N 1 0 311.385 3.450 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000773080757 622979088 /nfs/dbraw/zinc/97/90/88/622979088.db2.gz NCESALLWRYLRBC-RDJZCZTQSA-N 1 0 318.461 3.131 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000773080758 622979635 /nfs/dbraw/zinc/97/96/35/622979635.db2.gz NCESALLWRYLRBC-WBVHZDCISA-N 1 0 318.461 3.131 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000773083165 622980128 /nfs/dbraw/zinc/98/01/28/622980128.db2.gz KOQDNMQLPKKTBG-VQIMIIECSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000773083157 622980145 /nfs/dbraw/zinc/98/01/45/622980145.db2.gz KOQDNMQLPKKTBG-APWZRJJASA-N 1 0 318.461 3.211 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c(O)cc1C ZINC000872804618 622982195 /nfs/dbraw/zinc/98/21/95/622982195.db2.gz MGRASVFXGUQERK-AWEZNQCLSA-N 1 0 303.324 3.484 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c(O)cc1C ZINC000872804620 622982479 /nfs/dbraw/zinc/98/24/79/622982479.db2.gz MGRASVFXGUQERK-CQSZACIVSA-N 1 0 303.324 3.484 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2cccnc2OC)cc1C ZINC000873012827 623016619 /nfs/dbraw/zinc/01/66/19/623016619.db2.gz NZJGODSFVXNMGX-UHFFFAOYSA-N 1 0 300.402 3.477 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2OCC)cc1C ZINC000873103543 623036547 /nfs/dbraw/zinc/03/65/47/623036547.db2.gz FVYYUIYYYKLAKU-FUHWJXTLSA-N 1 0 307.434 3.067 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)ccc1OC ZINC000873156214 623054834 /nfs/dbraw/zinc/05/48/34/623054834.db2.gz JUHHRADNBHXKJT-HHXXYDBFSA-N 1 0 319.445 3.279 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000773745322 623066519 /nfs/dbraw/zinc/06/65/19/623066519.db2.gz AOCUEZRNGDBPNN-KRWDZBQOSA-N 1 0 310.445 3.312 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](CC)[C@H](O)c2ccccc2)c(O)c1 ZINC000873194993 623070029 /nfs/dbraw/zinc/07/00/29/623070029.db2.gz XJYUTFXHRKYDSB-PKOBYXMFSA-N 1 0 315.413 3.393 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](CC)[C@H](O)c2ccccc2)c(O)c1 ZINC000873194991 623070305 /nfs/dbraw/zinc/07/03/05/623070305.db2.gz XJYUTFXHRKYDSB-IEBWSBKVSA-N 1 0 315.413 3.393 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](CC)[C@@H](O)c2ccccc2)c(O)c1 ZINC000873194990 623070581 /nfs/dbraw/zinc/07/05/81/623070581.db2.gz XJYUTFXHRKYDSB-HKUYNNGSSA-N 1 0 315.413 3.393 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC(C3(C)OCCO3)CC2)cc1 ZINC000773777654 623072733 /nfs/dbraw/zinc/07/27/33/623072733.db2.gz SOBHGTCOOHLQSY-UHFFFAOYSA-N 1 0 318.461 3.118 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000773811173 623074529 /nfs/dbraw/zinc/07/45/29/623074529.db2.gz WWOGFCBDMXVSPC-ZWKOTPCHSA-N 1 0 302.462 3.391 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1 ZINC000774467942 623149294 /nfs/dbraw/zinc/14/92/94/623149294.db2.gz FYLYALPERMOXBP-CRAIPNDOSA-N 1 0 318.461 3.479 20 10 DGCDRO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774483312 623151108 /nfs/dbraw/zinc/15/11/08/623151108.db2.gz JQNTXZDHFDTHIE-CABCVRRESA-N 1 0 305.466 3.098 20 10 DGCDRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774482084 623151156 /nfs/dbraw/zinc/15/11/56/623151156.db2.gz FOPLVHYOOLXXOX-KGLIPLIRSA-N 1 0 305.466 3.097 20 10 DGCDRO COc1c(O)c(C[N@H+](C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000774822026 623196241 /nfs/dbraw/zinc/19/62/41/623196241.db2.gz XNIOXJNNQBJQLC-UHFFFAOYSA-N 1 0 308.359 3.003 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1c2ccccc2C[C@@H]1C ZINC000775128394 623234019 /nfs/dbraw/zinc/23/40/19/623234019.db2.gz ASEAHWLHCRWWMA-KKUMJFAQSA-N 1 0 324.424 3.409 20 10 DGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000775202279 623240783 /nfs/dbraw/zinc/24/07/83/623240783.db2.gz UJVLDVGTEKRYEQ-LJQANCHMSA-N 1 0 318.461 3.164 20 10 DGCDRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000775258238 623246450 /nfs/dbraw/zinc/24/64/50/623246450.db2.gz VBGIGYCXQADBPO-MRXNPFEDSA-N 1 0 320.477 3.379 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000775361700 623259564 /nfs/dbraw/zinc/25/95/64/623259564.db2.gz DQNYTEKXBKLJCC-CQSZACIVSA-N 1 0 321.428 3.389 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)nc1 ZINC000775370739 623261526 /nfs/dbraw/zinc/26/15/26/623261526.db2.gz PVMHBHMIZOKBOY-LBPRGKRZSA-N 1 0 302.374 3.045 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775487707 623279109 /nfs/dbraw/zinc/27/91/09/623279109.db2.gz NVFQUCUOSGHKMQ-ZBFHGGJFSA-N 1 0 318.804 3.313 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Cl)ccc1O ZINC000775496610 623280621 /nfs/dbraw/zinc/28/06/21/623280621.db2.gz KNDDVHKJZNWWDG-GXFFZTMASA-N 1 0 312.841 3.390 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Cl)ccc1O ZINC000775494296 623281038 /nfs/dbraw/zinc/28/10/38/623281038.db2.gz ZHGLGJRNRRMIPQ-OAHLLOKOSA-N 1 0 324.852 3.489 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)N1CCC(OC)CC1)c1ccccc1O ZINC000775503570 623281527 /nfs/dbraw/zinc/28/15/27/623281527.db2.gz JLRCDVMIPQZUAM-KRWDZBQOSA-N 1 0 320.477 3.322 20 10 DGCDRO CC[C@H]([NH2+]CCN(C)CCCOC)c1cc(Cl)ccc1O ZINC000775509380 623282322 /nfs/dbraw/zinc/28/23/22/623282322.db2.gz REZALZDTYYMFLY-HNNXBMFYSA-N 1 0 314.857 3.055 20 10 DGCDRO CC[C@H]([NH2+]CCCc1nc(C)no1)c1cc(Cl)ccc1O ZINC000775518960 623282998 /nfs/dbraw/zinc/28/29/98/623282998.db2.gz JQTQTXPMNYTWED-ZDUSSCGKSA-N 1 0 309.797 3.411 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CO)c1ccccc1OC)c1ccccc1O ZINC000775523096 623283913 /nfs/dbraw/zinc/28/39/13/623283913.db2.gz GFSWFPHYXZYEDK-HZPDHXFCSA-N 1 0 301.386 3.175 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccccc1O ZINC000775522172 623284007 /nfs/dbraw/zinc/28/40/07/623284007.db2.gz LDLBOTKTEMNQIL-ZBFHGGJFSA-N 1 0 305.418 3.161 20 10 DGCDRO CC[C@@H]([NH2+]CC1(OC)CCOCC1)c1cc(Cl)ccc1O ZINC000775523251 623284107 /nfs/dbraw/zinc/28/41/07/623284107.db2.gz GUANKWZSXSGYOF-CQSZACIVSA-N 1 0 313.825 3.282 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1O ZINC000775522680 623284159 /nfs/dbraw/zinc/28/41/59/623284159.db2.gz XNLIHDSFQGZFPA-SJORKVTESA-N 1 0 316.445 3.367 20 10 DGCDRO CC[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(Cl)ccc1O ZINC000775528595 623284658 /nfs/dbraw/zinc/28/46/58/623284658.db2.gz ZXMKVWZNLWGDDI-OAHLLOKOSA-N 1 0 324.852 3.393 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)COCCOC)c1cc(Cl)ccc1O ZINC000775528376 623285189 /nfs/dbraw/zinc/28/51/89/623285189.db2.gz XSNXIMFZBSTHIQ-BXUZGUMPSA-N 1 0 301.814 3.138 20 10 DGCDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000775580876 623293351 /nfs/dbraw/zinc/29/33/51/623293351.db2.gz MZWOIHPGDKBKAJ-KKUMJFAQSA-N 1 0 320.433 3.218 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(OC)c(F)c2)c1 ZINC000775644314 623302167 /nfs/dbraw/zinc/30/21/67/623302167.db2.gz GWCXDCDTYFYSMI-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO COc1ccc(O)c(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000775659600 623307150 /nfs/dbraw/zinc/30/71/50/623307150.db2.gz YVFUUVRNJGGDNQ-INMHGKMJSA-N 1 0 318.461 3.238 20 10 DGCDRO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835523 623339160 /nfs/dbraw/zinc/33/91/60/623339160.db2.gz UCIKHDAGKNRPHJ-NSHDSACASA-N 1 0 306.841 3.299 20 10 DGCDRO CN(C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccsc1 ZINC000775879512 623345052 /nfs/dbraw/zinc/34/50/52/623345052.db2.gz PYRMAUVDHHRNDH-AWEZNQCLSA-N 1 0 310.850 3.500 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CN1C ZINC000775987749 623361224 /nfs/dbraw/zinc/36/12/24/623361224.db2.gz WFESPXFEXNVRAX-SJORKVTESA-N 1 0 301.478 3.201 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2OC)cc1Cl ZINC000776251582 623401724 /nfs/dbraw/zinc/40/17/24/623401724.db2.gz MSMPVCXQAZFCHR-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000776252367 623401864 /nfs/dbraw/zinc/40/18/64/623401864.db2.gz SDHGGFZVZBDIRY-UHFFFAOYSA-N 1 0 307.825 3.194 20 10 DGCDRO C[C@H](CCNC(=O)N[C@H](C)c1ccccc1O)[NH+]1CCCCC1 ZINC000875486071 623455450 /nfs/dbraw/zinc/45/54/50/623455450.db2.gz VLSLGLLWUKMDTD-HUUCEWRRSA-N 1 0 319.449 3.017 20 10 DGCDRO Cc1nn(C)c2ncc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)cc12 ZINC000776942878 623477885 /nfs/dbraw/zinc/47/78/85/623477885.db2.gz XKALWBVVUJYVSZ-CYBMUJFWSA-N 1 0 323.444 3.194 20 10 DGCDRO COc1ccc2oc(C[NH2+]Cc3cc(OC)ccc3O)cc2c1 ZINC000125532683 623479552 /nfs/dbraw/zinc/47/95/52/623479552.db2.gz GWLNNIFXQUEMTN-UHFFFAOYSA-N 1 0 313.353 3.445 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1O ZINC000777553538 623540563 /nfs/dbraw/zinc/54/05/63/623540563.db2.gz FEIJWUSTADMWPI-MRXNPFEDSA-N 1 0 305.418 3.100 20 10 DGCDRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000790486106 625660297 /nfs/dbraw/zinc/66/02/97/625660297.db2.gz LFHZEFAGEIWCTL-DOTOQJQBSA-N 1 0 311.429 3.171 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000876524889 623633582 /nfs/dbraw/zinc/63/35/82/623633582.db2.gz ZZBHFRSCOHQQJJ-UHFFFAOYSA-N 1 0 302.462 3.412 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCSCC1 ZINC000876551438 623641680 /nfs/dbraw/zinc/64/16/80/623641680.db2.gz RXPQCSXRDIUBRR-UHFFFAOYSA-N 1 0 320.502 3.098 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000778638213 623679046 /nfs/dbraw/zinc/67/90/46/623679046.db2.gz ADJXDXVGCQVLQK-UHFFFAOYSA-N 1 0 316.401 3.263 20 10 DGCDRO COc1cccc([C@@H]2C[N@H+](Cc3ccc(C)cc3O)CCO2)c1 ZINC000876689378 623683242 /nfs/dbraw/zinc/68/32/42/623683242.db2.gz WZYGQIXGNSCUNP-IBGZPJMESA-N 1 0 313.397 3.283 20 10 DGCDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876732987 623692393 /nfs/dbraw/zinc/69/23/93/623692393.db2.gz LHCUIKNWLCOSHG-MRXNPFEDSA-N 1 0 302.462 3.412 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(O)c1 ZINC000876790809 623707152 /nfs/dbraw/zinc/70/71/52/623707152.db2.gz YDHTUFIIDWQUGH-GOSISDBHSA-N 1 0 319.445 3.251 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000876813316 623714260 /nfs/dbraw/zinc/71/42/60/623714260.db2.gz BCCTXJSTLXOBKL-UHFFFAOYSA-N 1 0 313.323 3.085 20 10 DGCDRO COCC[N@H+](CCc1ccccc1)Cc1cc(F)ccc1O ZINC000778995730 623718218 /nfs/dbraw/zinc/71/82/18/623718218.db2.gz CODPXDANDBMCTJ-UHFFFAOYSA-N 1 0 303.377 3.222 20 10 DGCDRO CCN1C[C@@H](C[N@H+](C)Cc2ccccc2O)Oc2ccccc21 ZINC000778995552 623718671 /nfs/dbraw/zinc/71/86/71/623718671.db2.gz ZFUYRGKVLIHEAG-MRXNPFEDSA-N 1 0 312.413 3.112 20 10 DGCDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000779022906 623721235 /nfs/dbraw/zinc/72/12/35/623721235.db2.gz KXNLGJACEULDON-SFHVURJKSA-N 1 0 314.404 3.238 20 10 DGCDRO OCC[N@H+](CCc1ccccc1)Cc1c(O)cccc1Cl ZINC000126197718 623722681 /nfs/dbraw/zinc/72/26/81/623722681.db2.gz DLVSHTBMNMIHPI-UHFFFAOYSA-N 1 0 305.805 3.083 20 10 DGCDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779029614 623722915 /nfs/dbraw/zinc/72/29/15/623722915.db2.gz QNZFEGQRTDAALU-ZDUSSCGKSA-N 1 0 323.408 3.475 20 10 DGCDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000779106328 623729898 /nfs/dbraw/zinc/72/98/98/623729898.db2.gz NLQTVVRNXMLRAA-KZULUSFZSA-N 1 0 319.376 3.406 20 10 DGCDRO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1O ZINC000779105769 623730096 /nfs/dbraw/zinc/73/00/96/623730096.db2.gz FJWCSVNYZVPOAW-KGLIPLIRSA-N 1 0 320.433 3.222 20 10 DGCDRO CNC(=O)C1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCCC1 ZINC000779176099 623738515 /nfs/dbraw/zinc/73/85/15/623738515.db2.gz ZTIUAPSZQQHYPX-UHFFFAOYSA-N 1 0 324.424 3.208 20 10 DGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000877017798 623767466 /nfs/dbraw/zinc/76/74/66/623767466.db2.gz IQPPBQBWBAELSU-AWEZNQCLSA-N 1 0 315.413 3.439 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000877088199 623789166 /nfs/dbraw/zinc/78/91/66/623789166.db2.gz CUHDGWXGTIWCIW-OAHLLOKOSA-N 1 0 324.415 3.315 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000877096062 623790725 /nfs/dbraw/zinc/79/07/25/623790725.db2.gz WRHSGBSIXMEXNL-CYBMUJFWSA-N 1 0 317.820 3.118 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000877146156 623805914 /nfs/dbraw/zinc/80/59/14/623805914.db2.gz PIQSYQJIKBDTKB-UHFFFAOYSA-N 1 0 311.429 3.376 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)c(O)c1 ZINC000877147074 623807385 /nfs/dbraw/zinc/80/73/85/623807385.db2.gz ZLBJWKZIMVKJLG-UHFFFAOYSA-N 1 0 311.429 3.376 20 10 DGCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877173972 623816934 /nfs/dbraw/zinc/81/69/34/623816934.db2.gz NCFKMYYAZWTAAZ-OAHLLOKOSA-N 1 0 305.418 3.112 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000790617666 625678691 /nfs/dbraw/zinc/67/86/91/625678691.db2.gz BPRSKRAZDPIENP-UHFFFAOYSA-N 1 0 301.777 3.254 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC000877458978 623891721 /nfs/dbraw/zinc/89/17/21/623891721.db2.gz DHRXFDMUEILYNS-ZFWWWQNUSA-N 1 0 317.351 3.274 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000877482058 623904665 /nfs/dbraw/zinc/90/46/65/623904665.db2.gz BLDUNSRZFFUQFF-MRXNPFEDSA-N 1 0 309.768 3.316 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)c1O ZINC000877525623 623924895 /nfs/dbraw/zinc/92/48/95/623924895.db2.gz JOJIZRLNOWHFNA-UGSOOPFHSA-N 1 0 301.386 3.267 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccnc(OC)c2)c1 ZINC000877533379 623928987 /nfs/dbraw/zinc/92/89/87/623928987.db2.gz NUYUBUJZRBDJFH-CHWSQXEVSA-N 1 0 316.401 3.086 20 10 DGCDRO COCCOCc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1 ZINC000877542755 623935183 /nfs/dbraw/zinc/93/51/83/623935183.db2.gz WWZYDSMZARZXJV-UHFFFAOYSA-N 1 0 315.413 3.153 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3(C4CCC4)CCC3)cc2)CC1 ZINC000877585142 623951477 /nfs/dbraw/zinc/95/14/77/623951477.db2.gz APEJLTQIDMOQLR-UHFFFAOYSA-N 1 0 314.473 3.460 20 10 DGCDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877594567 623956084 /nfs/dbraw/zinc/95/60/84/623956084.db2.gz VGRHNYYHXOMJJL-OWCLPIDISA-N 1 0 302.462 3.124 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)OC ZINC000877598194 623957135 /nfs/dbraw/zinc/95/71/35/623957135.db2.gz KMCQUPYDTRLTEO-FRQCXROJSA-N 1 0 320.477 3.172 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCF)C3)cc2)CC1 ZINC000877631937 623970588 /nfs/dbraw/zinc/97/05/88/623970588.db2.gz WSKXZAMPBDRXPX-MRXNPFEDSA-N 1 0 320.452 3.219 20 10 DGCDRO [O-]c1c(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)ccc(F)c1F ZINC000877653427 623978621 /nfs/dbraw/zinc/97/86/21/623978621.db2.gz KDYSHOYFOMDTQQ-GOSISDBHSA-N 1 0 319.351 3.154 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCCC4(CC4)CC3)cc2)CC1 ZINC000877661340 623981817 /nfs/dbraw/zinc/98/18/17/623981817.db2.gz ZWEAHEMOVOUVLO-UHFFFAOYSA-N 1 0 314.473 3.414 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCCCC3CC3)cc2)CC1 ZINC000877730207 624006951 /nfs/dbraw/zinc/00/69/51/624006951.db2.gz PYBZJLOTPXSYEI-UHFFFAOYSA-N 1 0 302.462 3.318 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(C)(C)O)CC2)c1O ZINC000877753575 624019642 /nfs/dbraw/zinc/01/96/42/624019642.db2.gz GZQSYQVKXAWSED-UHFFFAOYSA-N 1 0 313.825 3.037 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2O)[nH]c1C ZINC000877755769 624022347 /nfs/dbraw/zinc/02/23/47/624022347.db2.gz MEGSCCBIAZUHMF-LLVKDONJSA-N 1 0 302.374 3.056 20 10 DGCDRO CC(C)COC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000877757030 624022676 /nfs/dbraw/zinc/02/26/76/624022676.db2.gz AMDOMSIHQGFCFO-AWEZNQCLSA-N 1 0 320.433 3.300 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C[C@@H]1C ZINC000877757053 624023049 /nfs/dbraw/zinc/02/30/49/624023049.db2.gz CZOWFVNGMCHQJQ-BYNSBNAKSA-N 1 0 305.418 3.411 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccccc1O ZINC000877756343 624023210 /nfs/dbraw/zinc/02/32/10/624023210.db2.gz ICFXUIDXHGFIQV-CYBMUJFWSA-N 1 0 310.397 3.135 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1O ZINC000877810987 624043161 /nfs/dbraw/zinc/04/31/61/624043161.db2.gz CIYQIZFVUQZXDF-INIZCTEOSA-N 1 0 305.805 3.047 20 10 DGCDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cccc(C)c1O)CC2 ZINC000877816492 624047761 /nfs/dbraw/zinc/04/77/61/624047761.db2.gz FWDKCOISERTJGQ-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c1O ZINC000877814238 624047869 /nfs/dbraw/zinc/04/78/69/624047869.db2.gz WJRDCPDUYXUKDW-CYBMUJFWSA-N 1 0 304.415 3.155 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000877827832 624059368 /nfs/dbraw/zinc/05/93/68/624059368.db2.gz UIONOZNFOWQGQD-NSHDSACASA-N 1 0 302.330 3.160 20 10 DGCDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000877835853 624063637 /nfs/dbraw/zinc/06/36/37/624063637.db2.gz YJKLZVABRBPZBC-QGZVFWFLSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1noc(C2(C)CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000781528776 624087976 /nfs/dbraw/zinc/08/79/76/624087976.db2.gz FFRMPRBRHFFKKR-UHFFFAOYSA-N 1 0 321.808 3.291 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3c2CCOC3)cc1 ZINC000877939286 624101871 /nfs/dbraw/zinc/10/18/71/624101871.db2.gz MEXQPAMYMKFXTC-UHFFFAOYSA-N 1 0 310.441 3.457 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1O ZINC000782291927 624234753 /nfs/dbraw/zinc/23/47/53/624234753.db2.gz SEZSFQUVVYOLSQ-INIZCTEOSA-N 1 0 312.413 3.169 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000878362560 624256841 /nfs/dbraw/zinc/25/68/41/624256841.db2.gz CWIJEVHNKZCKKV-RDJZCZTQSA-N 1 0 319.445 3.409 20 10 DGCDRO CCOCOc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000782950327 624294066 /nfs/dbraw/zinc/29/40/66/624294066.db2.gz MJDJTFMMULMVEU-UHFFFAOYSA-N 1 0 314.429 3.415 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC000783508407 624360040 /nfs/dbraw/zinc/36/00/40/624360040.db2.gz KDYJWVNREAKCAZ-OAHLLOKOSA-N 1 0 307.397 3.471 20 10 DGCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccccc2O)c(OC)c1 ZINC000783508467 624360146 /nfs/dbraw/zinc/36/01/46/624360146.db2.gz KTVRFFIADDDSFE-ZDUSSCGKSA-N 1 0 301.386 3.303 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)[C@H](C)O1 ZINC000783539844 624363115 /nfs/dbraw/zinc/36/31/15/624363115.db2.gz DCEOFHVRXLQKBS-UPJWGTAASA-N 1 0 307.434 3.393 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCS[C@H]3C)CC2)cc1 ZINC000783609568 624373666 /nfs/dbraw/zinc/37/36/66/624373666.db2.gz YONGFBHTSSGGDQ-SUMWQHHRSA-N 1 0 306.475 3.148 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000784616430 624559210 /nfs/dbraw/zinc/55/92/10/624559210.db2.gz GBHSHINMRIXSJQ-UHFFFAOYSA-N 1 0 324.428 3.405 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CCOC)Cc2ccco2)c1 ZINC000784625934 624560272 /nfs/dbraw/zinc/56/02/72/624560272.db2.gz QPELHOZNYFHNJY-HNNXBMFYSA-N 1 0 319.401 3.121 20 10 DGCDRO Fc1cc(C[NH2+]C23CCC(CC2)C3)ccc1N1CCOCC1 ZINC000784643980 624564693 /nfs/dbraw/zinc/56/46/93/624564693.db2.gz QEZOPGCPADPULH-UHFFFAOYSA-N 1 0 304.409 3.085 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)c1ccccc1O ZINC000879648795 624622622 /nfs/dbraw/zinc/62/26/22/624622622.db2.gz DXMOHOLRPKORSM-CQSZACIVSA-N 1 0 310.397 3.022 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NCC1CCCCC1 ZINC000879651630 624624363 /nfs/dbraw/zinc/62/43/63/624624363.db2.gz DXALRWGLFGHWFD-KBPBESRZSA-N 1 0 304.434 3.128 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000879653758 624626768 /nfs/dbraw/zinc/62/67/68/624626768.db2.gz WHHKOAACEFWGJB-GJZGRUSLSA-N 1 0 312.413 3.262 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccccc1O ZINC000879653959 624626860 /nfs/dbraw/zinc/62/68/60/624626860.db2.gz ZAFJIQYJEYZTQL-ZMSDIMECSA-N 1 0 316.445 3.224 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C(=O)NC)C(C)C)cc1 ZINC000785588038 624691731 /nfs/dbraw/zinc/69/17/31/624691731.db2.gz AQXURSFSACDEOW-SFHVURJKSA-N 1 0 319.493 3.173 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1 ZINC000880053998 624769338 /nfs/dbraw/zinc/76/93/38/624769338.db2.gz VXRNZLMTWRYLAL-OAHLLOKOSA-N 1 0 316.367 3.296 20 10 DGCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000786169143 624816564 /nfs/dbraw/zinc/81/65/64/624816564.db2.gz QVHXPKSPUUHHNM-UONOGXRCSA-N 1 0 321.421 3.098 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](CF)C3)cc2)CC1 ZINC000880299126 624902643 /nfs/dbraw/zinc/90/26/43/624902643.db2.gz CZKOHJRADJDECD-MRXNPFEDSA-N 1 0 306.425 3.093 20 10 DGCDRO CCN1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1=O ZINC000787232899 624990911 /nfs/dbraw/zinc/99/09/11/624990911.db2.gz HZJSRFUSTUYJPD-UHFFFAOYSA-N 1 0 318.461 3.052 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c1O ZINC000787770694 625048133 /nfs/dbraw/zinc/04/81/33/625048133.db2.gz UYIAQSPLGFWQKX-SFHVURJKSA-N 1 0 315.413 3.250 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c(O)c1 ZINC000788507890 625201290 /nfs/dbraw/zinc/20/12/90/625201290.db2.gz SUPYIOADKVMTRN-JKSUJKDBSA-N 1 0 315.413 3.100 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c(O)c1 ZINC000788509759 625202775 /nfs/dbraw/zinc/20/27/75/625202775.db2.gz ZRPNMYALFTVWBU-IRXDYDNUSA-N 1 0 320.477 3.016 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000788521432 625205586 /nfs/dbraw/zinc/20/55/86/625205586.db2.gz JHUATCYLDGULSB-UHFFFAOYSA-N 1 0 320.443 3.398 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@]1(C)CCCO1 ZINC000788541039 625212314 /nfs/dbraw/zinc/21/23/14/625212314.db2.gz BDLOFLCMZZAGSM-YJBOKZPZSA-N 1 0 320.502 3.287 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000788783714 625265064 /nfs/dbraw/zinc/26/50/64/625265064.db2.gz NSFRFCACQFUTFO-IAGOWNOFSA-N 1 0 320.477 3.161 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)cc1C ZINC000790994622 625733250 /nfs/dbraw/zinc/73/32/50/625733250.db2.gz AARQVHNSKXVEOG-KRWDZBQOSA-N 1 0 313.445 3.428 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ncc(Cl)s3)cc2)CC1 ZINC000882879769 625841925 /nfs/dbraw/zinc/84/19/25/625841925.db2.gz LTGUEQCQLKZCJL-UHFFFAOYSA-N 1 0 322.865 3.160 20 10 DGCDRO CCc1csc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882879713 625842239 /nfs/dbraw/zinc/84/22/39/625842239.db2.gz JBFMYLWQYBVIAH-UHFFFAOYSA-N 1 0 316.474 3.069 20 10 DGCDRO CO[C@H](C)c1nc(CNCc2cc(F)cc(F)c2[O-])cs1 ZINC000883032425 625905021 /nfs/dbraw/zinc/90/50/21/625905021.db2.gz IUFXHSSSQKEKGZ-MRVPVSSYSA-N 1 0 314.357 3.124 20 10 DGCDRO CCn1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000792313011 625935685 /nfs/dbraw/zinc/93/56/85/625935685.db2.gz IGGAVENDFWMVDG-UHFFFAOYSA-N 1 0 304.365 3.187 20 10 DGCDRO COCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CC[C@@H](C)C1 ZINC000792465207 625947331 /nfs/dbraw/zinc/94/73/31/625947331.db2.gz LXSICOGRLVIKLE-WBMJQRKESA-N 1 0 323.408 3.371 20 10 DGCDRO CCC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796303098 626037071 /nfs/dbraw/zinc/03/70/71/626037071.db2.gz GGEDQOWQFUUQJY-HXUWFJFHSA-N 1 0 324.468 3.500 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1F ZINC000796497494 626056260 /nfs/dbraw/zinc/05/62/60/626056260.db2.gz LOIWQBXJYDUQRM-ZBFHGGJFSA-N 1 0 308.441 3.434 20 10 DGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000796696538 626073829 /nfs/dbraw/zinc/07/38/29/626073829.db2.gz TYMIGOURVOSYIN-DOTOQJQBSA-N 1 0 306.425 3.187 20 10 DGCDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000796702978 626074374 /nfs/dbraw/zinc/07/43/74/626074374.db2.gz OIKDZPVHOHWBCL-UXHICEINSA-N 1 0 316.489 3.420 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)CCCOCc1ccccc1 ZINC000798964874 626263981 /nfs/dbraw/zinc/26/39/81/626263981.db2.gz QLEDZLOOMLGKKY-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC000799192229 626279861 /nfs/dbraw/zinc/27/98/61/626279861.db2.gz CZCAOKIASPNAPL-CYBMUJFWSA-N 1 0 314.360 3.118 20 10 DGCDRO COCC[C@H]1CCC[C@H]1[NH2+]CCCSc1nccs1 ZINC000800479637 626363494 /nfs/dbraw/zinc/36/34/94/626363494.db2.gz HRPAEJANWPSCLE-CHWSQXEVSA-N 1 0 300.493 3.420 20 10 DGCDRO C[C@@H]([NH2+]CCCNC(=O)/C=C\c1ccccc1)c1ccccc1O ZINC000800503880 626365266 /nfs/dbraw/zinc/36/52/66/626365266.db2.gz ALHLIFQXVHHERF-BFFYNSAMSA-N 1 0 324.424 3.263 20 10 DGCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000800897470 626383970 /nfs/dbraw/zinc/38/39/70/626383970.db2.gz ZEKXGIGZVCAYIW-IBGZPJMESA-N 1 0 316.420 3.332 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000800968478 626387308 /nfs/dbraw/zinc/38/73/08/626387308.db2.gz OUARFKQFNUVGHX-RBUKOAKNSA-N 1 0 300.446 3.192 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccc(N2CCOCC2)cc1 ZINC000800968135 626387407 /nfs/dbraw/zinc/38/74/07/626387407.db2.gz GIEFTOGEIWLNRF-IWKCEXAMSA-N 1 0 300.446 3.362 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000802659980 626565873 /nfs/dbraw/zinc/56/58/73/626565873.db2.gz TZDMSOCCBHQAKI-BTTYYORXSA-N 1 0 323.433 3.093 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCC4(CC4)C3)cc2)CC1 ZINC000883236583 626618913 /nfs/dbraw/zinc/61/89/13/626618913.db2.gz FTVDNXOWEBKDKD-KRWDZBQOSA-N 1 0 314.473 3.460 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(C)cc1O ZINC000883275970 626633122 /nfs/dbraw/zinc/63/31/22/626633122.db2.gz DFTRZMVMVAGEEB-RDJZCZTQSA-N 1 0 303.402 3.186 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccoc2)c2c1c(F)ccc2O ZINC000883276988 626633905 /nfs/dbraw/zinc/63/39/05/626633905.db2.gz SELNELLLGWSGNY-ZLDLUXBVSA-N 1 0 319.376 3.113 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(N(C)C)cc1 ZINC000883278068 626634271 /nfs/dbraw/zinc/63/42/71/626634271.db2.gz LJINUPAKUBKWSB-LPHOPBHVSA-N 1 0 316.445 3.238 20 10 DGCDRO CC[C@H]1CO[C@@H](C)CN1Cc1cc(Br)ccc1O ZINC000131503345 626645728 /nfs/dbraw/zinc/64/57/28/626645728.db2.gz XANRBDOJSYMPJW-GWCFXTLKSA-N 1 0 314.223 3.154 20 10 DGCDRO CC[C@H]1CO[C@H](C)CN1Cc1cc(Br)ccc1O ZINC000131502938 626645792 /nfs/dbraw/zinc/64/57/92/626645792.db2.gz XANRBDOJSYMPJW-MFKMUULPSA-N 1 0 314.223 3.154 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1c3ccccc3CC[C@@H]1F)OCO2 ZINC000883383212 626668112 /nfs/dbraw/zinc/66/81/12/626668112.db2.gz VOQWRYGWIPGPJG-KBXCAEBGSA-N 1 0 315.344 3.236 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C2CCC3(COC3)CC2)cc1F ZINC000883388111 626669324 /nfs/dbraw/zinc/66/93/24/626669324.db2.gz MIRZSSXLPZPORC-UHFFFAOYSA-N 1 0 310.388 3.080 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000840097466 626759401 /nfs/dbraw/zinc/75/94/01/626759401.db2.gz ZNKOCQVNSKPIAO-MRXNPFEDSA-N 1 0 312.413 3.331 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](SC)C3)c2c1 ZINC000840115458 626768689 /nfs/dbraw/zinc/76/86/89/626768689.db2.gz MBGZELJAKOAVEJ-AWEZNQCLSA-N 1 0 303.427 3.491 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1C ZINC000840122428 626774424 /nfs/dbraw/zinc/77/44/24/626774424.db2.gz DBUFXZRWMOELNA-MLGOLLRUSA-N 1 0 307.434 3.252 20 10 DGCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc2c(cc1O)CCCC2 ZINC000808194780 626805656 /nfs/dbraw/zinc/80/56/56/626805656.db2.gz ZWXHNSVGTQFUBT-BEFAXECRSA-N 1 0 314.473 3.330 20 10 DGCDRO CCOC1CC([N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000808214090 626806322 /nfs/dbraw/zinc/80/63/22/626806322.db2.gz XWJLIKVNVCLNEY-UHFFFAOYSA-N 1 0 307.434 3.395 20 10 DGCDRO Cc1cc(CC[NH2+]Cc2cn(C)cn2)c(C)n1-c1ccccc1 ZINC000808377152 626818897 /nfs/dbraw/zinc/81/88/97/626818897.db2.gz JPJDQUIMTCVTMK-UHFFFAOYSA-N 1 0 308.429 3.160 20 10 DGCDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C12CCC2 ZINC000840138062 626825956 /nfs/dbraw/zinc/82/59/56/626825956.db2.gz CKOSAQLZHKUSFY-QZTJIDSGSA-N 1 0 312.413 3.330 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000808453028 626826664 /nfs/dbraw/zinc/82/66/64/626826664.db2.gz VORIDAMPTZZJIS-HNNXBMFYSA-N 1 0 317.360 3.023 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000808453030 626826760 /nfs/dbraw/zinc/82/67/60/626826760.db2.gz VORIDAMPTZZJIS-OAHLLOKOSA-N 1 0 317.360 3.023 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOc2cccnc2)c1O ZINC000808696002 626850442 /nfs/dbraw/zinc/85/04/42/626850442.db2.gz MTSVZSLLFRUMMV-GFCCVEGCSA-N 1 0 306.793 3.479 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1O ZINC000808695048 626850521 /nfs/dbraw/zinc/85/05/21/626850521.db2.gz DTJVQXRVVWZUDU-JSGCOSHPSA-N 1 0 313.825 3.200 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCSCC2)c1O ZINC000808695740 626850647 /nfs/dbraw/zinc/85/06/47/626850647.db2.gz PKRYUDQJYDCVEB-LBPRGKRZSA-N 1 0 314.882 3.053 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1O ZINC000808707526 626851656 /nfs/dbraw/zinc/85/16/56/626851656.db2.gz RHGMIQDQNVIJDE-DGCLKSJQSA-N 1 0 310.825 3.014 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1O ZINC000808706792 626851939 /nfs/dbraw/zinc/85/19/39/626851939.db2.gz VANTYJJLFCCCMI-GXFFZTMASA-N 1 0 305.809 3.285 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000808719334 626853828 /nfs/dbraw/zinc/85/38/28/626853828.db2.gz VYRSZQBDOMUZQE-GIPWTMENSA-N 1 0 315.866 3.306 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000808729252 626855139 /nfs/dbraw/zinc/85/51/39/626855139.db2.gz WIHVYWIQZLXETN-DOMZBBRYSA-N 1 0 301.361 3.494 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000840144261 626859308 /nfs/dbraw/zinc/85/93/08/626859308.db2.gz ZOANRVONCCBQSQ-LJQANCHMSA-N 1 0 319.445 3.398 20 10 DGCDRO COc1cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c(O)cc1C ZINC000840157263 626879878 /nfs/dbraw/zinc/87/98/78/626879878.db2.gz UTMKCDXNJIENFS-UHFFFAOYSA-N 1 0 317.433 3.101 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC000134820923 626888602 /nfs/dbraw/zinc/88/86/02/626888602.db2.gz SCOHCOOEKUDALI-CYBMUJFWSA-N 1 0 316.367 3.077 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000809689146 626936480 /nfs/dbraw/zinc/93/64/80/626936480.db2.gz VTXYASSKHYWLHU-UHFFFAOYSA-N 1 0 300.358 3.283 20 10 DGCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000809692151 626937267 /nfs/dbraw/zinc/93/72/67/626937267.db2.gz XZBUVUCSEATNQR-INIZCTEOSA-N 1 0 320.433 3.110 20 10 DGCDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)cc(C)c4O)[C@H]1[C@H]3C2 ZINC000809698526 626938246 /nfs/dbraw/zinc/93/82/46/626938246.db2.gz ZLHXRWJOPZGNSC-AQYSPBEXSA-N 1 0 307.821 3.209 20 10 DGCDRO CO[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809718725 626941317 /nfs/dbraw/zinc/94/13/17/626941317.db2.gz XMFGMLXXRRNRLY-LLVKDONJSA-N 1 0 304.356 3.238 20 10 DGCDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000809722553 626942072 /nfs/dbraw/zinc/94/20/72/626942072.db2.gz BQCWKCHJPGHARQ-MRXNPFEDSA-N 1 0 320.433 3.143 20 10 DGCDRO c1cncc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000809728552 626942394 /nfs/dbraw/zinc/94/23/94/626942394.db2.gz BCAMSVWGQIIQTM-FQEVSTJZSA-N 1 0 323.440 3.255 20 10 DGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(N(C)C)cc2)o1 ZINC000809735333 626943647 /nfs/dbraw/zinc/94/36/47/626943647.db2.gz BEQRDYHFXAJDMX-UHFFFAOYSA-N 1 0 315.461 3.218 20 10 DGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2cc(C)c(C)cc2O)o1 ZINC000809735722 626943719 /nfs/dbraw/zinc/94/37/19/626943719.db2.gz QIIGCYFOGXEOFV-UHFFFAOYSA-N 1 0 316.445 3.474 20 10 DGCDRO COc1cccc(C[NH2+]Cc2nc3ccc(F)cc3s2)c1O ZINC000809739694 626943931 /nfs/dbraw/zinc/94/39/31/626943931.db2.gz BQYXBRNFGLBTKB-UHFFFAOYSA-N 1 0 318.373 3.439 20 10 DGCDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)Cc1ccccc1O ZINC000809737879 626944228 /nfs/dbraw/zinc/94/42/28/626944228.db2.gz ODNBZMMMQJDWPR-UHFFFAOYSA-N 1 0 320.383 3.234 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(F)c3cccnc23)c1O ZINC000809739605 626944235 /nfs/dbraw/zinc/94/42/35/626944235.db2.gz PMLLERCHUQTDMJ-UHFFFAOYSA-N 1 0 312.344 3.378 20 10 DGCDRO COc1cccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)c1O ZINC000809741348 626944920 /nfs/dbraw/zinc/94/49/20/626944920.db2.gz NHXUGDJWPQTZKE-ARJAWSKDSA-N 1 0 305.324 3.482 20 10 DGCDRO C[NH+](C)CCN(Cc1cccs1)Cc1cc(F)ccc1O ZINC000809746408 626945518 /nfs/dbraw/zinc/94/55/18/626945518.db2.gz QQAVYNGMINVNMC-UHFFFAOYSA-N 1 0 308.422 3.157 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(O)c1 ZINC000809758690 626947962 /nfs/dbraw/zinc/94/79/62/626947962.db2.gz TXVYTQMQRBFDGZ-HOTGVXAUSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758538 626948054 /nfs/dbraw/zinc/94/80/54/626948054.db2.gz PJIYNRGKYJAHJC-LSDHHAIUSA-N 1 0 305.418 3.039 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2COc3c(C)cccc3C2)c(O)c1 ZINC000810178008 626984903 /nfs/dbraw/zinc/98/49/03/626984903.db2.gz HQDIIMRRSIXDPF-MRXNPFEDSA-N 1 0 313.397 3.193 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1F ZINC000810178384 626985275 /nfs/dbraw/zinc/98/52/75/626985275.db2.gz ODILJJGIUYDELW-KRWDZBQOSA-N 1 0 308.441 3.313 20 10 DGCDRO CC[C@H]([NH2+]CCn1cccn1)c1ccc(C(F)(F)F)cc1O ZINC000810224397 626989390 /nfs/dbraw/zinc/98/93/90/626989390.db2.gz WTUZSBDTYOSULA-ZDUSSCGKSA-N 1 0 313.323 3.348 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ncccc2N(C)C)c2c1c(F)ccc2O ZINC000810248895 626992281 /nfs/dbraw/zinc/99/22/81/626992281.db2.gz IIBLLMRYDCJUGO-AAEUAGOBSA-N 1 0 315.392 3.330 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3c(C)cccc3C2)c1 ZINC000810259605 626994059 /nfs/dbraw/zinc/99/40/59/626994059.db2.gz NFOJSVDPCHHIOD-UKRRQHHQSA-N 1 0 313.397 3.364 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2C[C@]23CCOC3)C2CC2)cc1 ZINC000885960773 627070881 /nfs/dbraw/zinc/07/08/81/627070881.db2.gz PHBWCFSUJZJTAL-LPHOPBHVSA-N 1 0 300.446 3.144 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC3(CCC3)CO2)c1 ZINC000886109699 627106931 /nfs/dbraw/zinc/10/69/31/627106931.db2.gz QDUYWWASFVDTOZ-UKRRQHHQSA-N 1 0 305.418 3.401 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000886529231 627157756 /nfs/dbraw/zinc/15/77/56/627157756.db2.gz ZHVRCPNMOQNTSR-GOSISDBHSA-N 1 0 300.450 3.281 20 10 DGCDRO C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1c([O-])cccc1F ZINC000886640349 627178500 /nfs/dbraw/zinc/17/85/00/627178500.db2.gz XGZPIPKMVOGEFW-ZDUSSCGKSA-N 1 0 306.425 3.304 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1c([O-])cccc1F ZINC000886641984 627178522 /nfs/dbraw/zinc/17/85/22/627178522.db2.gz WXYGMMAJRXSHRQ-WFASDCNBSA-N 1 0 301.361 3.323 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000886669603 627185140 /nfs/dbraw/zinc/18/51/40/627185140.db2.gz BBOOXUVWNSAPSZ-IPYPFGDCSA-N 1 0 313.825 3.016 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c(O)c1C ZINC000886676367 627187452 /nfs/dbraw/zinc/18/74/52/627187452.db2.gz GIMXWRALUSKWBX-PBHICJAKSA-N 1 0 317.404 3.402 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)Cc2ccc(F)cc2)c(O)c1 ZINC000886677110 627188110 /nfs/dbraw/zinc/18/81/10/627188110.db2.gz RIJQBJRTSMLKFD-RHSMWYFYSA-N 1 0 317.404 3.402 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC3(CCC3)CO2)c1O ZINC000886732776 627198513 /nfs/dbraw/zinc/19/85/13/627198513.db2.gz QQEXUVJWOCFFET-UONOGXRCSA-N 1 0 305.418 3.401 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1cc(F)ccc1O ZINC000886771440 627202968 /nfs/dbraw/zinc/20/29/68/627202968.db2.gz HWRHXCCJGPXAGR-FRTWLMODSA-N 1 0 323.408 3.155 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1ccccc1O ZINC000886771136 627202995 /nfs/dbraw/zinc/20/29/95/627202995.db2.gz CRBNQHLPGZWRBU-QHLBIMPKSA-N 1 0 305.418 3.015 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512616 627285276 /nfs/dbraw/zinc/28/52/76/627285276.db2.gz HEYJKAJGRRSXCB-INIZCTEOSA-N 1 0 324.424 3.038 20 10 DGCDRO CCSCCC[NH2+]Cc1cc(Br)ccc1O ZINC000301003169 627286083 /nfs/dbraw/zinc/28/60/83/627286083.db2.gz YIBZDFXLWWGXBW-UHFFFAOYSA-N 1 0 304.253 3.388 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C1CC1 ZINC000811513843 627286546 /nfs/dbraw/zinc/28/65/46/627286546.db2.gz SGICBWBTWREUBM-SFHVURJKSA-N 1 0 318.436 3.283 20 10 DGCDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)cc1C ZINC000811792390 627322595 /nfs/dbraw/zinc/32/25/95/627322595.db2.gz OHTLQGPXFNAZAP-SJLPKXTDSA-N 1 0 317.429 3.243 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](n3cc(Cl)cn3)C1)CCC2 ZINC000811802363 627322727 /nfs/dbraw/zinc/32/27/27/627322727.db2.gz XGDVQJYHICFYIF-INIZCTEOSA-N 1 0 317.820 3.178 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cn1 ZINC000813330904 627478794 /nfs/dbraw/zinc/47/87/94/627478794.db2.gz IVQVLLMMVLETFR-CYBMUJFWSA-N 1 0 315.417 3.103 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC3CC(F)(F)C3)CC2)cc1 ZINC000813781844 627511196 /nfs/dbraw/zinc/51/11/96/627511196.db2.gz SXCXGLXSAJDXBD-UHFFFAOYSA-N 1 0 310.388 3.299 20 10 DGCDRO Cc1cc(C[NH+]2CCC(OCC3CC3)CC2)ccc1N(C)C ZINC000815055448 627619627 /nfs/dbraw/zinc/61/96/27/627619627.db2.gz AMLDPEJTFMULSZ-UHFFFAOYSA-N 1 0 302.462 3.452 20 10 DGCDRO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)ccc1N(C)C ZINC000815052824 627619647 /nfs/dbraw/zinc/61/96/47/627619647.db2.gz CFQQJZYMMLPDJG-QGZVFWFLSA-N 1 0 312.457 3.444 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815075464 627623150 /nfs/dbraw/zinc/62/31/50/627623150.db2.gz BNJUAYWCSXMSIQ-LPHOPBHVSA-N 1 0 318.461 3.273 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1O ZINC000815083370 627624488 /nfs/dbraw/zinc/62/44/88/627624488.db2.gz OIXRALKKSVCWOL-NVXWUHKLSA-N 1 0 303.377 3.176 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1N(C)C ZINC000815083901 627624720 /nfs/dbraw/zinc/62/47/20/627624720.db2.gz IIGPWNXWMAFHNR-FUHWJXTLSA-N 1 0 304.478 3.290 20 10 DGCDRO C[C@@H](F)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000815148795 627637370 /nfs/dbraw/zinc/63/73/70/627637370.db2.gz KOMXINJXMKJVRA-CYBMUJFWSA-N 1 0 309.385 3.423 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C2(C(C)C)CC2)c1O ZINC000815151364 627638061 /nfs/dbraw/zinc/63/80/61/627638061.db2.gz NBBVRUSSQNUWOJ-UHFFFAOYSA-N 1 0 314.223 3.442 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2c(F)cc(F)cc2F)c1O ZINC000815151958 627638320 /nfs/dbraw/zinc/63/83/20/627638320.db2.gz FFHNDSVEBTUSAN-UHFFFAOYSA-N 1 0 311.303 3.498 20 10 DGCDRO COc1cc(CC[NH2+]Cc2c(O)cccc2OC)ccc1Cl ZINC000815162191 627639439 /nfs/dbraw/zinc/63/94/39/627639439.db2.gz DQZICFUDMABCSW-UHFFFAOYSA-N 1 0 321.804 3.395 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cc1 ZINC000815232209 627648139 /nfs/dbraw/zinc/64/81/39/627648139.db2.gz TXNQZNSPNCJMPZ-IBGZPJMESA-N 1 0 304.478 3.373 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c(O)c1 ZINC000815553894 627684319 /nfs/dbraw/zinc/68/43/19/627684319.db2.gz MQJJTCRALZYAJX-HUUCEWRRSA-N 1 0 313.397 3.500 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccnn1CC1CCC1 ZINC000924901655 627692172 /nfs/dbraw/zinc/69/21/72/627692172.db2.gz SQQFMNUJNAKQHT-CQSZACIVSA-N 1 0 311.429 3.469 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2nccnc2C)c1O ZINC000815651635 627695155 /nfs/dbraw/zinc/69/51/55/627695155.db2.gz YPQITWGEAPEMLD-NSHDSACASA-N 1 0 305.809 3.346 20 10 DGCDRO Oc1c(C[N@@H+]2CCCC[C@H]2C2OCCO2)ccc2ccccc21 ZINC000816501226 627797717 /nfs/dbraw/zinc/79/77/17/627797717.db2.gz BBNMLBQZODVXPQ-KRWDZBQOSA-N 1 0 313.397 3.273 20 10 DGCDRO O=C1CCCCN1CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816548288 627805814 /nfs/dbraw/zinc/80/58/14/627805814.db2.gz CAIJLSQDLJWDOW-UHFFFAOYSA-N 1 0 312.413 3.038 20 10 DGCDRO Oc1c(C[NH2+]C[C@@H]2CSCCS2)ccc2ccccc21 ZINC000816556813 627807824 /nfs/dbraw/zinc/80/78/24/627807824.db2.gz UVIGFWCOXDDNDN-CQSZACIVSA-N 1 0 305.468 3.484 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000925885951 627811771 /nfs/dbraw/zinc/81/17/71/627811771.db2.gz BXSSCASTWLEXLZ-NRXGSXMXSA-N 1 0 314.404 3.241 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)o1 ZINC000816611388 627814150 /nfs/dbraw/zinc/81/41/50/627814150.db2.gz ORIDPROUSRVZHR-UHFFFAOYSA-N 1 0 311.337 3.215 20 10 DGCDRO CCOc1cccc(CN2CC[N@H+](C)Cc3ccccc32)c1O ZINC000816617886 627815170 /nfs/dbraw/zinc/81/51/70/627815170.db2.gz KNWKZAYXWXNNTR-UHFFFAOYSA-N 1 0 312.413 3.243 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)Cc1ccccc1 ZINC000816624586 627816153 /nfs/dbraw/zinc/81/61/53/627816153.db2.gz AFJRTBLENVQVHG-INIZCTEOSA-N 1 0 305.805 3.081 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c(O)c1 ZINC000816667906 627823681 /nfs/dbraw/zinc/82/36/81/627823681.db2.gz ZIQCXVOLHMUEIO-MRXNPFEDSA-N 1 0 305.418 3.182 20 10 DGCDRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2O)CCOCC1 ZINC000817588403 627927346 /nfs/dbraw/zinc/92/73/46/627927346.db2.gz ORLMWRUALIYNEV-RYUDHWBXSA-N 1 0 313.825 3.280 20 10 DGCDRO CCCN1C[C@@H](C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)CC1=O ZINC000817588446 627927421 /nfs/dbraw/zinc/92/74/21/627927421.db2.gz FSNZPQSKPASHFT-CRAIPNDOSA-N 1 0 317.477 3.052 20 10 DGCDRO CN1CCCc2cc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)ccc21 ZINC000817900036 627956399 /nfs/dbraw/zinc/95/63/99/627956399.db2.gz JSTQKOPMTQWSJL-RTBURBONSA-N 1 0 307.441 3.303 20 10 DGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000817938254 627966350 /nfs/dbraw/zinc/96/63/50/627966350.db2.gz HMQFERYQQXLXLG-SGTLLEGYSA-N 1 0 319.399 3.381 20 10 DGCDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938383 627966425 /nfs/dbraw/zinc/96/64/25/627966425.db2.gz JQZDRKURRBBHRH-VQTJNVASSA-N 1 0 309.457 3.338 20 10 DGCDRO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817940100 627967201 /nfs/dbraw/zinc/96/72/01/627967201.db2.gz DWVDMLQDCUKJJZ-HOCLYGCPSA-N 1 0 305.441 3.219 20 10 DGCDRO C[C@H](Cc1cccs1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817939068 627967343 /nfs/dbraw/zinc/96/73/43/627967343.db2.gz YLZMUOQPXMPCND-CXAGYDPISA-N 1 0 303.475 3.035 20 10 DGCDRO Cc1cc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)o1 ZINC000817939214 627967380 /nfs/dbraw/zinc/96/73/80/627967380.db2.gz AMMIEAOHFFGXKI-FZKQIMNGSA-N 1 0 301.434 3.313 20 10 DGCDRO Cc1nc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)s1 ZINC000817940654 627968621 /nfs/dbraw/zinc/96/86/21/627968621.db2.gz GKZGXMPSMZLZTI-BZNIZROVSA-N 1 0 318.490 3.177 20 10 DGCDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940728 627968837 /nfs/dbraw/zinc/96/88/37/627968837.db2.gz HMYZVRCSHRITFZ-UAOJZALGSA-N 1 0 309.457 3.276 20 10 DGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1F ZINC000817940444 627968958 /nfs/dbraw/zinc/96/89/58/627968958.db2.gz GIRSGXAIQINSEX-PXAZEXFGSA-N 1 0 319.399 3.381 20 10 DGCDRO C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817942429 627969823 /nfs/dbraw/zinc/96/98/23/627969823.db2.gz YMIWRRWAPKQARV-SECBINFHSA-N 1 0 303.233 3.349 20 10 DGCDRO CCc1cccnc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942460 627969984 /nfs/dbraw/zinc/96/99/84/627969984.db2.gz OYBROFNUUJBTON-KSSFIOAISA-N 1 0 312.461 3.061 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817946572 627970373 /nfs/dbraw/zinc/97/03/73/627970373.db2.gz ZWSKCESMLDWQRJ-NXEZZACHSA-N 1 0 303.233 3.349 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817945723 627970736 /nfs/dbraw/zinc/97/07/36/627970736.db2.gz KHTDIWDQOOKLFM-WDEREUQCSA-N 1 0 302.340 3.061 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)cc1[O-] ZINC000817949703 627972789 /nfs/dbraw/zinc/97/27/89/627972789.db2.gz SIKHYMIJBZFTEU-KRWDZBQOSA-N 1 0 302.393 3.273 20 10 DGCDRO Oc1ccccc1[C@H](CCc1ccccc1)NC[C@@H]1CCC[NH2+]1 ZINC000817953266 627973210 /nfs/dbraw/zinc/97/32/10/627973210.db2.gz YFJIBWMYPBAFSJ-HKUYNNGSSA-N 1 0 310.441 3.408 20 10 DGCDRO COCCOc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817956241 627973871 /nfs/dbraw/zinc/97/38/71/627973871.db2.gz UQVDXXSGECYRDN-OAHLLOKOSA-N 1 0 314.429 3.187 20 10 DGCDRO CCc1nc2c(s1)[C@@H]([NH2+]CCc1ccc(N)cc1)CCC2 ZINC000817956086 627974251 /nfs/dbraw/zinc/97/42/51/627974251.db2.gz QHPCESGKXSBKNO-AWEZNQCLSA-N 1 0 301.459 3.497 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817970392 627978684 /nfs/dbraw/zinc/97/86/84/627978684.db2.gz UKPWNVZTZZOBQW-HBNTYKKESA-N 1 0 302.340 3.332 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1[O-] ZINC000817969740 627978834 /nfs/dbraw/zinc/97/88/34/627978834.db2.gz ZBLOJKWNRWOGPM-QGZVFWFLSA-N 1 0 300.377 3.375 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817968260 627979018 /nfs/dbraw/zinc/97/90/18/627979018.db2.gz IUMXROXXCSAALO-NXEZZACHSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1cc(F)ccc1O ZINC000926919822 627981387 /nfs/dbraw/zinc/98/13/87/627981387.db2.gz GCACKIPEOJFHFH-ZYHUDNBSSA-N 1 0 320.330 3.209 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(C(F)(F)F)cc1O ZINC000817976890 627981708 /nfs/dbraw/zinc/98/17/08/627981708.db2.gz WMFFOEIMFYCFQI-GVXVVHGQSA-N 1 0 320.330 3.152 20 10 DGCDRO C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817977956 627981715 /nfs/dbraw/zinc/98/17/15/627981715.db2.gz RZECQHZIVXWATG-IUCAKERBSA-N 1 0 319.218 3.072 20 10 DGCDRO CC[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1O ZINC000817980117 627982262 /nfs/dbraw/zinc/98/22/62/627982262.db2.gz IUUILYBMZUXUKA-YPMHNXCESA-N 1 0 304.768 3.084 20 10 DGCDRO C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817984114 627983071 /nfs/dbraw/zinc/98/30/71/627983071.db2.gz NIXBMAOBOHQDLB-JTQLQIEISA-N 1 0 302.340 3.204 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(F)cc1[O-] ZINC000926929665 627984198 /nfs/dbraw/zinc/98/41/98/627984198.db2.gz YYNUBNCXTPMQKZ-QMMMGPOBSA-N 1 0 317.286 3.134 20 10 DGCDRO C[C@H]([NH3+])c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000817997646 627984759 /nfs/dbraw/zinc/98/47/59/627984759.db2.gz UCNDCBJKLXLTKY-ZDUSSCGKSA-N 1 0 324.424 3.221 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c(O)c1C ZINC000927012946 627997568 /nfs/dbraw/zinc/99/75/68/627997568.db2.gz HXSIYBVSTVZUPB-HOTGVXAUSA-N 1 0 319.445 3.388 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(C)cc1O ZINC000927017070 627998343 /nfs/dbraw/zinc/99/83/43/627998343.db2.gz VQGHJCUBEKIFAK-RDJZCZTQSA-N 1 0 319.445 3.470 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(F)c3)C2)cc1 ZINC000818221396 628006440 /nfs/dbraw/zinc/00/64/40/628006440.db2.gz RTAHJJVACLBLEH-MRXNPFEDSA-N 1 0 314.404 3.450 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000818227919 628007339 /nfs/dbraw/zinc/00/73/39/628007339.db2.gz NCLBQXXNESBFTD-UHFFFAOYSA-N 1 0 323.433 3.248 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)c1O ZINC000927069699 628007474 /nfs/dbraw/zinc/00/74/74/628007474.db2.gz ZVUHUHAYGOCKIO-LRDDRELGSA-N 1 0 303.406 3.182 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)nn2C)c2c1c(F)ccc2O ZINC000927100734 628014424 /nfs/dbraw/zinc/01/44/24/628014424.db2.gz JBLWBGWAHCOYNO-BONVTDFDSA-N 1 0 315.392 3.480 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000818342103 628015429 /nfs/dbraw/zinc/01/54/29/628015429.db2.gz LOUYAKKCLVVXTL-YJBOKZPZSA-N 1 0 300.446 3.444 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000818341824 628015532 /nfs/dbraw/zinc/01/55/32/628015532.db2.gz HINNPCYXYFTJHB-CCKFTAQKSA-N 1 0 300.446 3.300 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cscn3)C2)cc1 ZINC000818342525 628015549 /nfs/dbraw/zinc/01/55/49/628015549.db2.gz SCNKEFKIHPKGSP-ZIAGYGMSSA-N 1 0 317.458 3.329 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(N2CCCCCC2)cc1 ZINC000927151099 628027067 /nfs/dbraw/zinc/02/70/67/628027067.db2.gz CJQWZLNEODACKC-BQFCYCMXSA-N 1 0 302.462 3.489 20 10 DGCDRO Cc1cc(F)ccc1[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941956 628063524 /nfs/dbraw/zinc/06/35/24/628063524.db2.gz UUKGXDVXKYOWNB-GOSISDBHSA-N 1 0 302.393 3.023 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CC1CCCC1 ZINC000818953309 628065968 /nfs/dbraw/zinc/06/59/68/628065968.db2.gz FZTPCHOMPLGMQV-IBGZPJMESA-N 1 0 302.462 3.318 20 10 DGCDRO Cc1cc(F)ccc1[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818984571 628073396 /nfs/dbraw/zinc/07/33/96/628073396.db2.gz CNBFWCIOIYTSOH-GOSISDBHSA-N 1 0 320.383 3.162 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000822210522 628429853 /nfs/dbraw/zinc/42/98/53/628429853.db2.gz FXJBXHUJTVWJAF-CYBMUJFWSA-N 1 0 323.400 3.040 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CC(OC(C)C)C3)C2)cc1 ZINC000822494529 628457584 /nfs/dbraw/zinc/45/75/84/628457584.db2.gz QVEYMKWSQFECHQ-MDCZIUGASA-N 1 0 318.461 3.067 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000822494051 628457753 /nfs/dbraw/zinc/45/77/53/628457753.db2.gz FHEYFXIDDMOJGK-HNNXBMFYSA-N 1 0 300.446 3.444 20 10 DGCDRO Oc1ccccc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000822504554 628458718 /nfs/dbraw/zinc/45/87/18/628458718.db2.gz VENXCHKLVGLCRJ-PKOBYXMFSA-N 1 0 308.425 3.099 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCCC23CCC3)ccc1N1CCOCC1 ZINC000823671306 628585754 /nfs/dbraw/zinc/58/57/54/628585754.db2.gz KVHIEFJCVZDXOR-SFHVURJKSA-N 1 0 318.436 3.475 20 10 DGCDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000823671334 628585841 /nfs/dbraw/zinc/58/58/41/628585841.db2.gz LYPKFUZZYFEOLF-HNNXBMFYSA-N 1 0 306.425 3.331 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000823697942 628587807 /nfs/dbraw/zinc/58/78/07/628587807.db2.gz PDILZBNTHXUFMP-SFHVURJKSA-N 1 0 300.446 3.336 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CSc2ccccc21 ZINC000824483946 628664412 /nfs/dbraw/zinc/66/44/12/628664412.db2.gz XBQVNOWYKIEBCT-LBPRGKRZSA-N 1 0 301.411 3.380 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)cc1Cl ZINC000824560226 628671288 /nfs/dbraw/zinc/67/12/88/628671288.db2.gz DFLQMNAERQWVFP-UHFFFAOYSA-N 1 0 324.852 3.091 20 10 DGCDRO C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccc1O ZINC000824593157 628675379 /nfs/dbraw/zinc/67/53/79/628675379.db2.gz LSJWYOSLUGQTPX-GOSISDBHSA-N 1 0 313.397 3.192 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1Cl ZINC000824600986 628675701 /nfs/dbraw/zinc/67/57/01/628675701.db2.gz FKGNPOCGLHAGAB-CYBMUJFWSA-N 1 0 319.836 3.467 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC2(C)C)c(C(F)(F)F)c1 ZINC000824625294 628678272 /nfs/dbraw/zinc/67/82/72/628678272.db2.gz IQAKCNPXRORLHM-CQSZACIVSA-N 1 0 316.367 3.429 20 10 DGCDRO Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824636837 628679371 /nfs/dbraw/zinc/67/93/71/628679371.db2.gz UHQMZMYDOUEEAK-IEBWSBKVSA-N 1 0 315.388 3.001 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1Cl ZINC000824690091 628684075 /nfs/dbraw/zinc/68/40/75/628684075.db2.gz YTAZESVNPUPRRM-AWEZNQCLSA-N 1 0 305.809 3.388 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000824696330 628684415 /nfs/dbraw/zinc/68/44/15/628684415.db2.gz LJXXNAKDVQSPEJ-OTWHNJEPSA-N 1 0 302.462 3.268 20 10 DGCDRO CC/C=C\C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000824703240 628685847 /nfs/dbraw/zinc/68/58/47/628685847.db2.gz YNANWLXRJPYOAB-PLNGDYQASA-N 1 0 300.196 3.219 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000824769685 628691242 /nfs/dbraw/zinc/69/12/42/628691242.db2.gz XXRCXJJOJYCTHE-AAEUAGOBSA-N 1 0 323.742 3.242 20 10 DGCDRO Oc1ccccc1C[N@H+](Cc1cnc2n1CCC2)C1CCCC1 ZINC000824778256 628692731 /nfs/dbraw/zinc/69/27/31/628692731.db2.gz RDNGEGKBOBZLMQ-UHFFFAOYSA-N 1 0 311.429 3.480 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1Cl ZINC000824818208 628697383 /nfs/dbraw/zinc/69/73/83/628697383.db2.gz HLMUACBWINONTF-UHFFFAOYSA-N 1 0 305.809 3.457 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1O ZINC000824844854 628699196 /nfs/dbraw/zinc/69/91/96/628699196.db2.gz DVHCTGNKAKXHAK-NVXWUHKLSA-N 1 0 309.450 3.170 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000824846597 628700049 /nfs/dbraw/zinc/70/00/49/628700049.db2.gz UMFCZHGETNGZJU-AEFFLSMTSA-N 1 0 309.450 3.170 20 10 DGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824889511 628703126 /nfs/dbraw/zinc/70/31/26/628703126.db2.gz QMUNJTBQISVGPW-LBPRGKRZSA-N 1 0 316.264 3.482 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1OC ZINC000824941588 628709409 /nfs/dbraw/zinc/70/94/09/628709409.db2.gz PVIOLQCYPLBGTG-KBXCAEBGSA-N 1 0 303.402 3.030 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000824955233 628710909 /nfs/dbraw/zinc/71/09/09/628710909.db2.gz VKPYVNXDBZEBRT-NVXWUHKLSA-N 1 0 318.804 3.451 20 10 DGCDRO C[C@@]1(CC[NH2+]Cc2cc3c(cc2O)OCO3)CC1(Cl)Cl ZINC000824970601 628712033 /nfs/dbraw/zinc/71/20/33/628712033.db2.gz MBXNCFXQSDJENR-CYBMUJFWSA-N 1 0 318.200 3.185 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)N(C)C ZINC000824987824 628714342 /nfs/dbraw/zinc/71/43/42/628714342.db2.gz BOECICNJNOIJNM-HNNXBMFYSA-N 1 0 314.429 3.011 20 10 DGCDRO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000825005361 628715433 /nfs/dbraw/zinc/71/54/33/628715433.db2.gz IJZRDJLNIQVYPX-JTQLQIEISA-N 1 0 324.222 3.222 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c1O ZINC000825016327 628716789 /nfs/dbraw/zinc/71/67/89/628716789.db2.gz ATFLSYAIIHGHHT-JOYOIKCWSA-N 1 0 307.781 3.046 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1ccccc1O ZINC000825045748 628720492 /nfs/dbraw/zinc/72/04/92/628720492.db2.gz KPLOMUULWROGLE-XUWXXGDYSA-N 1 0 315.417 3.087 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1ccccc1O ZINC000825045749 628720662 /nfs/dbraw/zinc/72/06/62/628720662.db2.gz KPLOMUULWROGLE-YEWWUXTCSA-N 1 0 315.417 3.087 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)C(C)(C)O)CC2)cc1 ZINC000825200303 628737950 /nfs/dbraw/zinc/73/79/50/628737950.db2.gz COPSXMOLAGPAII-UHFFFAOYSA-N 1 0 320.477 3.051 20 10 DGCDRO CC[C@H](COC)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000825297533 628747338 /nfs/dbraw/zinc/74/73/38/628747338.db2.gz HPTDVZNBVSBMDN-QGZVFWFLSA-N 1 0 315.413 3.486 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1F ZINC000825337698 628751599 /nfs/dbraw/zinc/75/15/99/628751599.db2.gz IJFWDWOLJKCRPZ-OAHLLOKOSA-N 1 0 308.441 3.266 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1Cl ZINC000825354512 628753267 /nfs/dbraw/zinc/75/32/67/628753267.db2.gz XGCYTTGZWODATM-IRXDYDNUSA-N 1 0 303.789 3.102 20 10 DGCDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000825405858 628758009 /nfs/dbraw/zinc/75/80/09/628758009.db2.gz LFSWKKRXGOFWPS-FZMZJTMJSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)CCCNC(=O)C2CCC2)cc1Cl ZINC000825699620 628786812 /nfs/dbraw/zinc/78/68/12/628786812.db2.gz WFCMSHXVNCTNPF-UHFFFAOYSA-N 1 0 324.852 3.092 20 10 DGCDRO CCCC[N@H+](CCCO)Cc1ccc(Br)cc1O ZINC000825927870 628811031 /nfs/dbraw/zinc/81/10/31/628811031.db2.gz ISOAGGXIMYQOPU-UHFFFAOYSA-N 1 0 316.239 3.139 20 10 DGCDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000825934880 628811760 /nfs/dbraw/zinc/81/17/60/628811760.db2.gz LXXAKSGBSHQOAN-STQMWFEESA-N 1 0 323.433 3.419 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC3(CC2)OCCCO3)cc1Cl ZINC000826017831 628820355 /nfs/dbraw/zinc/82/03/55/628820355.db2.gz VYECRWYJCZITTQ-UHFFFAOYSA-N 1 0 311.809 3.083 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000826017534 628820413 /nfs/dbraw/zinc/82/04/13/628820413.db2.gz SFEPLLXURZBJSQ-AWEZNQCLSA-N 1 0 321.461 3.293 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C2(C(=O)N(C)C)CCCCC2)cc1Cl ZINC000826049253 628823207 /nfs/dbraw/zinc/82/32/07/628823207.db2.gz PGWUJPLFQIOIAT-UHFFFAOYSA-N 1 0 324.852 3.235 20 10 DGCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(Br)cc2O)cn1 ZINC000826097140 628827567 /nfs/dbraw/zinc/82/75/67/628827567.db2.gz PTYIUABCUOEECM-SNVBAGLBSA-N 1 0 324.222 3.222 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1Cl ZINC000826121258 628830182 /nfs/dbraw/zinc/83/01/82/628830182.db2.gz OCFIMDAWVVLMRI-AWEZNQCLSA-N 1 0 323.795 3.359 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000826810802 628889732 /nfs/dbraw/zinc/88/97/32/628889732.db2.gz ZMMRBKRKMDCLPZ-UHFFFAOYSA-N 1 0 322.449 3.436 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000827151695 628928806 /nfs/dbraw/zinc/92/88/06/628928806.db2.gz IGLJGNMTAUVSHJ-JUGMSXHOSA-N 1 0 300.446 3.003 20 10 DGCDRO CN(CCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000827179045 628932859 /nfs/dbraw/zinc/93/28/59/628932859.db2.gz OZWIRGDGKGPIMI-LJQANCHMSA-N 1 0 310.441 3.141 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC(F)(F)C1 ZINC000827336767 628950832 /nfs/dbraw/zinc/95/08/32/628950832.db2.gz MHTKKSFDSMTQRG-INIZCTEOSA-N 1 0 324.415 3.390 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000827377064 628953852 /nfs/dbraw/zinc/95/38/52/628953852.db2.gz OOTWAYUAZDXYFA-PBHICJAKSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1O ZINC000827377356 628954546 /nfs/dbraw/zinc/95/45/46/628954546.db2.gz WOOLTCXEBWLCGW-GDBMZVCRSA-N 1 0 305.418 3.182 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000827494308 628964155 /nfs/dbraw/zinc/96/41/55/628964155.db2.gz JBCIRQWFNMRDLX-KRWDZBQOSA-N 1 0 317.360 3.478 20 10 DGCDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827662066 628980917 /nfs/dbraw/zinc/98/09/17/628980917.db2.gz MFKHGFJPBMYDDO-MRXNPFEDSA-N 1 0 304.478 3.420 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)cc1F ZINC000827698653 628983980 /nfs/dbraw/zinc/98/39/80/628983980.db2.gz AEJABOGYEVTOMX-KSSFIOAISA-N 1 0 308.441 3.122 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000827750343 628988237 /nfs/dbraw/zinc/98/82/37/628988237.db2.gz DZVACLNHLBGYIV-HOCLYGCPSA-N 1 0 311.809 3.257 20 10 DGCDRO Oc1cccc(Cl)c1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000827850712 628997283 /nfs/dbraw/zinc/99/72/83/628997283.db2.gz QBPHQJJGSBHBSF-CALCHBBNSA-N 1 0 307.821 3.438 20 10 DGCDRO CCC[NH+](CCC)CCCC(=O)N[C@H](C)c1ccccc1O ZINC000827931115 629004684 /nfs/dbraw/zinc/00/46/84/629004684.db2.gz YNGAIDJCXMBWKV-OAHLLOKOSA-N 1 0 306.450 3.472 20 10 DGCDRO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000827944415 629006534 /nfs/dbraw/zinc/00/65/34/629006534.db2.gz FBLYELIGLHERBK-LBPRGKRZSA-N 1 0 315.392 3.295 20 10 DGCDRO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1O ZINC000827973156 629009666 /nfs/dbraw/zinc/00/96/66/629009666.db2.gz JDTVPRLFKHPCNR-LSDHHAIUSA-N 1 0 316.445 3.224 20 10 DGCDRO CC[N@H+](C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827978666 629011082 /nfs/dbraw/zinc/01/10/82/629011082.db2.gz ZUJHDTIMXDPTEE-KSSFIOAISA-N 1 0 312.413 3.262 20 10 DGCDRO CCOc1cccc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1O ZINC000828013603 629014017 /nfs/dbraw/zinc/01/40/17/629014017.db2.gz FIUGIVFKJNWDLU-UHFFFAOYSA-N 1 0 315.417 3.099 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000828145025 629027702 /nfs/dbraw/zinc/02/77/02/629027702.db2.gz TXPBEPUHZRUQAX-HNNXBMFYSA-N 1 0 306.450 3.155 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)ccc1N1CCCCC1 ZINC000828846626 629099970 /nfs/dbraw/zinc/09/99/70/629099970.db2.gz MCLSRYKJBRBYRV-WMZOPIPTSA-N 1 0 302.462 3.500 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(CO)CC=CC1 ZINC000830517980 629280028 /nfs/dbraw/zinc/28/00/28/629280028.db2.gz MNMARANGKMLFJZ-GOSISDBHSA-N 1 0 302.462 3.196 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C)CCCCCC2)cc1 ZINC000832286178 629459881 /nfs/dbraw/zinc/45/98/81/629459881.db2.gz WVGQQWHEZHCKSO-QGZVFWFLSA-N 1 0 317.477 3.229 20 10 DGCDRO Fc1cc(C[NH2+][C@H](C2CC2)C2CCC2)ccc1N1CCOCC1 ZINC000834518989 629719489 /nfs/dbraw/zinc/71/94/89/629719489.db2.gz OSMUVIOMYKYMHB-IBGZPJMESA-N 1 0 318.436 3.331 20 10 DGCDRO CN(C)C(=O)C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834530074 629721428 /nfs/dbraw/zinc/72/14/28/629721428.db2.gz AUOVEOBHADBAIN-IRXDYDNUSA-N 1 0 324.424 3.189 20 10 DGCDRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCCN1c1ccccc1 ZINC000834585111 629735089 /nfs/dbraw/zinc/73/50/89/629735089.db2.gz GCTHWKKNVCXXMM-SJORKVTESA-N 1 0 322.408 3.165 20 10 DGCDRO Cc1noc(C2CCC([NH2+][C@@H]3CCc4cccc(O)c43)CC2)n1 ZINC000834676565 629754942 /nfs/dbraw/zinc/75/49/42/629754942.db2.gz WGPBKGNAGMGPLP-YMAMQOFZSA-N 1 0 313.401 3.387 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1COC3(CCCCCC3)O1)CC2 ZINC000834737879 629770199 /nfs/dbraw/zinc/77/01/99/629770199.db2.gz ZPYHLADURJOTOA-HOTGVXAUSA-N 1 0 317.429 3.435 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000834822336 629784151 /nfs/dbraw/zinc/78/41/51/629784151.db2.gz WXVCFNWWZMBHJN-VXGBXAGGSA-N 1 0 319.836 3.213 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cc(Br)ccc1O ZINC000834831394 629786266 /nfs/dbraw/zinc/78/62/66/629786266.db2.gz JJIHYLOAUDEJNQ-SKDRFNHKSA-N 1 0 322.206 3.147 20 10 DGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834896284 629800846 /nfs/dbraw/zinc/80/08/46/629800846.db2.gz JOPOFHDGXWCLFF-WDMOLILDSA-N 1 0 303.381 3.034 20 10 DGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834896281 629801257 /nfs/dbraw/zinc/80/12/57/629801257.db2.gz JOPOFHDGXWCLFF-GYSYKLTISA-N 1 0 303.381 3.034 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000834895948 629801290 /nfs/dbraw/zinc/80/12/90/629801290.db2.gz FROBXCYKNKOHQS-XHDPSFHLSA-N 1 0 307.825 3.451 20 10 DGCDRO CCC1(C[NH2+][C@H](C)c2ccc(Br)cc2O)COC1 ZINC000834898220 629801857 /nfs/dbraw/zinc/80/18/57/629801857.db2.gz AFMNUCKKIBUNSP-SNVBAGLBSA-N 1 0 314.223 3.232 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cc(Cl)ccc1O ZINC000834912251 629807583 /nfs/dbraw/zinc/80/75/83/629807583.db2.gz BXCLSODTYVGITL-QEJZJMRPSA-N 1 0 322.836 3.240 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1ccc2ccccc2c1O ZINC000834913681 629807762 /nfs/dbraw/zinc/80/77/62/629807762.db2.gz IRIMGHWCWWWQDH-YEWWUXTCSA-N 1 0 324.424 3.349 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000835025570 629827973 /nfs/dbraw/zinc/82/79/73/629827973.db2.gz KTTTZRKMPDWNSQ-ZEZYUPADSA-N 1 0 313.489 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000835027313 629829040 /nfs/dbraw/zinc/82/90/40/629829040.db2.gz LIRIRFGWZOYKDB-ARJAWSKDSA-N 1 0 310.445 3.299 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(N(C)C)CCCC2)cc1 ZINC000835033353 629829644 /nfs/dbraw/zinc/82/96/44/629829644.db2.gz FRIUTFPXVQAKIE-BQYQJAHWSA-N 1 0 301.478 3.230 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000835035143 629830358 /nfs/dbraw/zinc/83/03/58/629830358.db2.gz HMCUKKQADYVLEJ-FNORWQNLSA-N 1 0 310.445 3.017 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(N(C)C)nc2)cc1 ZINC000835036073 629830705 /nfs/dbraw/zinc/83/07/05/629830705.db2.gz MWEVMOOPFXKYID-WAYWQWQTSA-N 1 0 310.445 3.017 20 10 DGCDRO Cc1ncc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835041063 629831723 /nfs/dbraw/zinc/83/17/23/629831723.db2.gz JSNFBVIJWWVURO-SNAWJCMRSA-N 1 0 301.459 3.363 20 10 DGCDRO Cc1ncc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)s1 ZINC000835041062 629832234 /nfs/dbraw/zinc/83/22/34/629832234.db2.gz JSNFBVIJWWVURO-PLNGDYQASA-N 1 0 301.459 3.363 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CSCCS2)cc1 ZINC000835041746 629833170 /nfs/dbraw/zinc/83/31/70/629833170.db2.gz DQSVCWATWVEADU-QGZUEGPWSA-N 1 0 308.516 3.204 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000835043812 629833957 /nfs/dbraw/zinc/83/39/57/629833957.db2.gz ZKEATWMGWUGNCX-KPDZFXRVSA-N 1 0 308.425 3.014 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000835044221 629833982 /nfs/dbraw/zinc/83/39/82/629833982.db2.gz XXTWDGCDEACXIU-RURPWVQCSA-N 1 0 310.441 3.132 20 10 DGCDRO COC(=O)[C@@H](C)C[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835043941 629834121 /nfs/dbraw/zinc/83/41/21/629834121.db2.gz CRCRDRPNWNFZCW-YVACAVLKSA-N 1 0 316.445 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000835046452 629834793 /nfs/dbraw/zinc/83/47/93/629834793.db2.gz JTBKKDNCQBHTLN-IVZVJUQRSA-N 1 0 300.402 3.072 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000835049013 629835912 /nfs/dbraw/zinc/83/59/12/629835912.db2.gz DLKVQZJVBHRLIL-MEDHRJKHSA-N 1 0 300.446 3.268 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000835047333 629835917 /nfs/dbraw/zinc/83/59/17/629835917.db2.gz GGUQYTFPXLRSFX-IMMZDGJCSA-N 1 0 310.388 3.469 20 10 DGCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835051813 629837219 /nfs/dbraw/zinc/83/72/19/629837219.db2.gz JYSGVXIFFVVARW-NTWLCTACSA-N 1 0 302.462 3.391 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CCO)Cc2ccccc2)cc1 ZINC000835052636 629837598 /nfs/dbraw/zinc/83/75/98/629837598.db2.gz POMASNLZMWJQDP-ZGBFETHSSA-N 1 0 324.468 3.349 20 10 DGCDRO CC[C@H](C)[NH+]1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835053886 629837815 /nfs/dbraw/zinc/83/78/15/629837815.db2.gz FUMNILFRTTUJTH-TUYSUELWSA-N 1 0 301.478 3.182 20 10 DGCDRO Cc1cnn([C@@H]2CC[N@@H+](C/C=C/c3ccc(N(C)C)cc3)C2)c1 ZINC000835052673 629837833 /nfs/dbraw/zinc/83/78/33/629837833.db2.gz ILNPBORSSVVLGW-VZSQWMKGSA-N 1 0 310.445 3.218 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(CF)CCOCC2)cc1 ZINC000835054961 629838634 /nfs/dbraw/zinc/83/86/34/629838634.db2.gz OMORVFKUAXOBSX-ARJAWSKDSA-N 1 0 306.425 3.122 20 10 DGCDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000840808363 630360907 /nfs/dbraw/zinc/36/09/07/630360907.db2.gz KAXWRCZCKLLSHA-GOEBONIOSA-N 1 0 315.413 3.136 20 10 DGCDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000840808361 630360920 /nfs/dbraw/zinc/36/09/20/630360920.db2.gz KAXWRCZCKLLSHA-GDBMZVCRSA-N 1 0 315.413 3.136 20 10 DGCDRO COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000840835873 630365005 /nfs/dbraw/zinc/36/50/05/630365005.db2.gz RLZHMQMKMYXJRG-GHMZBOCLSA-N 1 0 316.239 3.478 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](c2ccco2)N(C)C)c(Cl)c1 ZINC000840876485 630370241 /nfs/dbraw/zinc/37/02/41/630370241.db2.gz NAYVDEYAUFUBQQ-CQSZACIVSA-N 1 0 308.809 3.340 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000840879645 630370993 /nfs/dbraw/zinc/37/09/93/630370993.db2.gz FRBMBTHYJPWVFS-YPMHNXCESA-N 1 0 307.340 3.097 20 10 DGCDRO Cc1occc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000840885608 630372182 /nfs/dbraw/zinc/37/21/82/630372182.db2.gz YAFBJJAUJMPWSP-UHFFFAOYSA-N 1 0 314.429 3.087 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000840895165 630374514 /nfs/dbraw/zinc/37/45/14/630374514.db2.gz WAHXZJCXNCKPCW-GOEBONIOSA-N 1 0 312.461 3.441 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(Cl)c1 ZINC000840923299 630379111 /nfs/dbraw/zinc/37/91/11/630379111.db2.gz SALKZICBNCIJRA-ZFWWWQNUSA-N 1 0 313.850 3.060 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(CC(=O)N(C)C)CC2)c(Cl)c1 ZINC000840936166 630380402 /nfs/dbraw/zinc/38/04/02/630380402.db2.gz FTWJKVQQNCKBAP-UHFFFAOYSA-N 1 0 324.852 3.044 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000840935741 630380486 /nfs/dbraw/zinc/38/04/86/630380486.db2.gz CBMYODPSZUAXFO-IBGZPJMESA-N 1 0 316.420 3.197 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(CO)CC3(CCC3)C2)c(Cl)c1 ZINC000840940526 630381291 /nfs/dbraw/zinc/38/12/91/630381291.db2.gz DPOWIPKUKLBDFA-UHFFFAOYSA-N 1 0 309.837 3.386 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CCO)Cc2ccccc2)c(Cl)c1 ZINC000840942387 630381973 /nfs/dbraw/zinc/38/19/73/630381973.db2.gz FTDMGESRERMGQQ-OAHLLOKOSA-N 1 0 319.832 3.437 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000840946430 630382076 /nfs/dbraw/zinc/38/20/76/630382076.db2.gz JYFFPOVEGQOAJZ-NHCUHLMSSA-N 1 0 324.468 3.317 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000840947368 630382590 /nfs/dbraw/zinc/38/25/90/630382590.db2.gz PUQQADOEYOFJDP-UHFFFAOYSA-N 1 0 312.413 3.161 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000840948255 630382607 /nfs/dbraw/zinc/38/26/07/630382607.db2.gz SEVNFSZYLPQLDU-KRWDZBQOSA-N 1 0 318.852 3.358 20 10 DGCDRO COCC[N@H+](Cc1ccccn1)Cc1ccc(N(C)C)cc1C ZINC000840946758 630382640 /nfs/dbraw/zinc/38/26/40/630382640.db2.gz TUVSUYSUHILWOL-UHFFFAOYSA-N 1 0 313.445 3.105 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000840948678 630382855 /nfs/dbraw/zinc/38/28/55/630382855.db2.gz XWFMUCCXFUUPIK-APWZRJJASA-N 1 0 301.478 3.120 20 10 DGCDRO COCC[C@H](C)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000840955523 630384112 /nfs/dbraw/zinc/38/41/12/630384112.db2.gz SFVDGRIVGPTCIS-JTQLQIEISA-N 1 0 316.239 3.225 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)CC(F)(F)F ZINC000840960645 630386584 /nfs/dbraw/zinc/38/65/84/630386584.db2.gz RKDVMAGOXTUOOF-SNVBAGLBSA-N 1 0 321.339 3.478 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1C ZINC000840963528 630387568 /nfs/dbraw/zinc/38/75/68/630387568.db2.gz OYSXMRPWPYLTRI-UHFFFAOYSA-N 1 0 315.457 3.286 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000840961718 630387592 /nfs/dbraw/zinc/38/75/92/630387592.db2.gz BUNKWCYAHWIYAD-QGZVFWFLSA-N 1 0 316.420 3.066 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000840976225 630390031 /nfs/dbraw/zinc/39/00/31/630390031.db2.gz NJEOOCCUVUBCFE-INIZCTEOSA-N 1 0 322.456 3.430 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c1O ZINC000840978180 630390037 /nfs/dbraw/zinc/39/00/37/630390037.db2.gz PXXRLROBZPXFAA-INIZCTEOSA-N 1 0 300.377 3.208 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840975520 630390453 /nfs/dbraw/zinc/39/04/53/630390453.db2.gz HVKJNHVMIAQCPU-HNNXBMFYSA-N 1 0 313.445 3.191 20 10 DGCDRO CCOc1ccc(CNCC[NH2+]C2CCCCCC2)c(O)c1 ZINC000841027376 630398144 /nfs/dbraw/zinc/39/81/44/630398144.db2.gz AJKZNHYGCFEDGQ-UHFFFAOYSA-N 1 0 306.450 3.193 20 10 DGCDRO [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841029644 630398344 /nfs/dbraw/zinc/39/83/44/630398344.db2.gz IVPQEKSIJPAWAN-NOZJJQNGSA-N 1 0 303.233 3.306 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000841037177 630399979 /nfs/dbraw/zinc/39/99/79/630399979.db2.gz YYBGEDFZLWCHNS-DYESRHJHSA-N 1 0 323.484 3.454 20 10 DGCDRO COCCCOc1cccc(C[NH2+]CCc2ccc(N)cc2)c1 ZINC000841035862 630400004 /nfs/dbraw/zinc/40/00/04/630400004.db2.gz PNZZGVDYJYADKB-UHFFFAOYSA-N 1 0 314.429 3.016 20 10 DGCDRO C[C@H](CCc1ccccc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044575 630401180 /nfs/dbraw/zinc/40/11/80/630401180.db2.gz DIJWMNZSZNUVFA-UZLBHIALSA-N 1 0 311.473 3.363 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C/C=C/c2ccc(F)cc2)cc1 ZINC000841046055 630401748 /nfs/dbraw/zinc/40/17/48/630401748.db2.gz VJYDAJFRUILBEW-RTLBZRNLSA-N 1 0 313.420 3.195 20 10 DGCDRO C[C@H](C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000841046058 630401774 /nfs/dbraw/zinc/40/17/74/630401774.db2.gz VKGYTXBKICKYAK-OXJNMPFZSA-N 1 0 311.473 3.221 20 10 DGCDRO COc1ccc(O)c(CN2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)c1 ZINC000841047333 630401891 /nfs/dbraw/zinc/40/18/91/630401891.db2.gz NGMSJHSLYGUULX-GFCCVEGCSA-N 1 0 316.376 3.038 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccc3c(c2)CCCN3)c1O ZINC000841070593 630404300 /nfs/dbraw/zinc/40/43/00/630404300.db2.gz RIIKZPHPIDPRBN-UHFFFAOYSA-N 1 0 312.413 3.439 20 10 DGCDRO CN(C)c1ccc(CN[C@@H](C[NH3+])C(C)(C)C)c(C(F)(F)F)c1 ZINC000841087153 630406172 /nfs/dbraw/zinc/40/61/72/630406172.db2.gz JQJUSKYJSLRCET-AWEZNQCLSA-N 1 0 317.399 3.234 20 10 DGCDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841299451 630425058 /nfs/dbraw/zinc/42/50/58/630425058.db2.gz DNZJDSOALLBMBI-INIZCTEOSA-N 1 0 304.438 3.045 20 10 DGCDRO Nc1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000841302326 630425467 /nfs/dbraw/zinc/42/54/67/630425467.db2.gz SXSKOFRKZAERPM-SFHVURJKSA-N 1 0 324.428 3.227 20 10 DGCDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841301571 630425544 /nfs/dbraw/zinc/42/55/44/630425544.db2.gz UZURZHATOANXKH-HNNXBMFYSA-N 1 0 316.405 3.066 20 10 DGCDRO C[C@H]([NH2+]CCOc1ncccc1F)c1ccc(Cl)cc1O ZINC000841751126 630461959 /nfs/dbraw/zinc/46/19/59/630461959.db2.gz KZGZWINVERSIKQ-JTQLQIEISA-N 1 0 310.756 3.309 20 10 DGCDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000841889347 630473459 /nfs/dbraw/zinc/47/34/59/630473459.db2.gz BZEUDNMZZFGTIV-KFWWJZLASA-N 1 0 306.425 3.139 20 10 DGCDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000842753747 630571815 /nfs/dbraw/zinc/57/18/15/630571815.db2.gz IXLWSRHKYVISIJ-GWCFXTLKSA-N 1 0 316.239 3.041 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](CCO)c2ccccc2F)c1O ZINC000842762096 630573044 /nfs/dbraw/zinc/57/30/44/630573044.db2.gz ATIFEWZBJPDIJB-INIZCTEOSA-N 1 0 319.376 3.143 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)[C@@H]1SC ZINC000842767736 630573843 /nfs/dbraw/zinc/57/38/43/630573843.db2.gz GWRNYWGVYHARAN-OPGNADACSA-N 1 0 320.502 3.264 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cn3c(cccc3C)n2)cc1C ZINC000842782595 630575619 /nfs/dbraw/zinc/57/56/19/630575619.db2.gz PLZGXYXCAKSZDL-UHFFFAOYSA-N 1 0 309.413 3.292 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O ZINC000842885374 630589660 /nfs/dbraw/zinc/58/96/60/630589660.db2.gz ONBGYXGQQOQXRO-KGLIPLIRSA-N 1 0 324.852 3.486 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1cc(F)ccc1O ZINC000842916961 630593248 /nfs/dbraw/zinc/59/32/48/630593248.db2.gz MGEICGKTIUYIFJ-CDHAZOANSA-N 1 0 316.376 3.497 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1F)c1cc(F)ccc1O ZINC000842922351 630593556 /nfs/dbraw/zinc/59/35/56/630593556.db2.gz BNFVLKKGPBWXOO-BZNIZROVSA-N 1 0 307.340 3.445 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000843047981 630608027 /nfs/dbraw/zinc/60/80/27/630608027.db2.gz GDXYAKHFROVLAG-RBUKOAKNSA-N 1 0 301.478 3.168 20 10 DGCDRO CCn1c2ccccc2nc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057693 630609266 /nfs/dbraw/zinc/60/92/66/630609266.db2.gz RIZJRUCVUJGCCA-UHFFFAOYSA-N 1 0 320.440 3.468 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc(-n2ccnc2)cs1 ZINC000843058418 630610019 /nfs/dbraw/zinc/61/00/19/630610019.db2.gz SCGDKRSRFZUPGK-UHFFFAOYSA-N 1 0 324.453 3.345 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000843113789 630615137 /nfs/dbraw/zinc/61/51/37/630615137.db2.gz DBOMNRUXMRAKCI-HQDVTNBMSA-N 1 0 321.468 3.193 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C/C2CCCCC2)cc1 ZINC000843296907 630643485 /nfs/dbraw/zinc/64/34/85/630643485.db2.gz COPOXDPIYWTRIJ-RORWEDLISA-N 1 0 315.461 3.005 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN(C)CC[C@@H]([NH3+])C(C)C)c1O ZINC000843354402 630648665 /nfs/dbraw/zinc/64/86/65/630648665.db2.gz DUDUXYOKUIIOAE-OAHLLOKOSA-N 1 0 312.841 3.053 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@H]1C(=O)OC(C)(C)C ZINC000843414537 630653652 /nfs/dbraw/zinc/65/36/52/630653652.db2.gz HXFCHFJBMMHOAT-UKRRQHHQSA-N 1 0 305.418 3.192 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1O ZINC000843429094 630657610 /nfs/dbraw/zinc/65/76/10/630657610.db2.gz UIPUQTHGPWFSFA-BETUJISGSA-N 1 0 313.825 3.490 20 10 DGCDRO COc1cc(Br)cc(C[N@H+](C)C(C)(C)C)c1O ZINC000843431098 630657757 /nfs/dbraw/zinc/65/77/57/630657757.db2.gz MCQRMWLHHNSIPW-UHFFFAOYSA-N 1 0 302.212 3.394 20 10 DGCDRO CC[C@H]([NH3+])C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843483433 630662133 /nfs/dbraw/zinc/66/21/33/630662133.db2.gz CSTVSIPDWZCKAJ-PBHICJAKSA-N 1 0 312.413 3.219 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(CC)CCC[NH2+]2)cc1 ZINC000844167168 630711265 /nfs/dbraw/zinc/71/12/65/630711265.db2.gz SVPFFBFWWOWFOA-LJQANCHMSA-N 1 0 317.477 3.023 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCc2scnc2C)cc1 ZINC000844400933 630724944 /nfs/dbraw/zinc/72/49/44/630724944.db2.gz INCQWZRXZRJBPE-UHFFFAOYSA-N 1 0 319.474 3.071 20 10 DGCDRO C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000844921883 630982751 /nfs/dbraw/zinc/98/27/51/630982751.db2.gz WBQVABWABXDZGE-SECBINFHSA-N 1 0 303.233 3.479 20 10 DGCDRO COc1cc(F)c(C[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000845919899 631202302 /nfs/dbraw/zinc/20/23/02/631202302.db2.gz BFFUJQNZBBUKHD-UHFFFAOYSA-N 1 0 318.392 3.199 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)c1 ZINC000845970641 631204074 /nfs/dbraw/zinc/20/40/74/631204074.db2.gz AXKYLRKDEJWWDD-SSZWKKLZSA-N 1 0 305.418 3.255 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(Cl)c2F)c1 ZINC000845971171 631204213 /nfs/dbraw/zinc/20/42/13/631204213.db2.gz HSSKRKUDSLHQBQ-SECBINFHSA-N 1 0 310.756 3.439 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c1 ZINC000846044798 631207892 /nfs/dbraw/zinc/20/78/92/631207892.db2.gz QFGIZXUMQNAWEZ-NJSLBKSFSA-N 1 0 315.413 3.348 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2cc(Cl)ccc2O)c(C)n1 ZINC000846054892 631208366 /nfs/dbraw/zinc/20/83/66/631208366.db2.gz HTPPQQGNCDCSRZ-UHFFFAOYSA-N 1 0 306.793 3.356 20 10 DGCDRO Fc1cc(C[NH2+]C2(C3CCC3)CC2)ccc1N1CCOCC1 ZINC000846054739 631208411 /nfs/dbraw/zinc/20/84/11/631208411.db2.gz FKCMXKBMUGNVFZ-UHFFFAOYSA-N 1 0 304.409 3.085 20 10 DGCDRO CCN1C[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000846092927 631209217 /nfs/dbraw/zinc/20/92/17/631209217.db2.gz KOICKMPFKJEHQQ-HNNXBMFYSA-N 1 0 324.424 3.017 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1O ZINC000846144341 631211892 /nfs/dbraw/zinc/21/18/92/631211892.db2.gz KMAYGKQSOMIXGC-BZNIZROVSA-N 1 0 307.415 3.021 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846145065 631211895 /nfs/dbraw/zinc/21/18/95/631211895.db2.gz JXJMEHGQDQNRDK-HOCLYGCPSA-N 1 0 315.413 3.309 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1O ZINC000846144349 631211959 /nfs/dbraw/zinc/21/19/59/631211959.db2.gz KMAYGKQSOMIXGC-ZBEGNZNMSA-N 1 0 307.415 3.021 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc3c(c2)CCO3)c1O ZINC000846148157 631212031 /nfs/dbraw/zinc/21/20/31/631212031.db2.gz XGQQNERJIKAWQM-ZDUSSCGKSA-N 1 0 313.397 3.229 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCc3nc(C)ncc32)c1O ZINC000846146923 631212163 /nfs/dbraw/zinc/21/21/63/631212163.db2.gz SWYNDLIWUMWJJY-NHYWBVRUSA-N 1 0 313.401 3.227 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2C)c1O ZINC000846148885 631212228 /nfs/dbraw/zinc/21/22/28/631212228.db2.gz UGNNKHWVRUXGLW-BBRMVZONSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c1O ZINC000846152962 631212236 /nfs/dbraw/zinc/21/22/36/631212236.db2.gz WADIAJXSCKQOSC-KEYYUXOJSA-N 1 0 315.413 3.216 20 10 DGCDRO CCc1noc(CC)c1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846151326 631212305 /nfs/dbraw/zinc/21/23/05/631212305.db2.gz WEHILGKLNBYAAX-NSHDSACASA-N 1 0 304.390 3.364 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000846153203 631212632 /nfs/dbraw/zinc/21/26/32/631212632.db2.gz FXWQDKCAQBSRMO-XWCIJXRUSA-N 1 0 319.376 3.313 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846157372 631212788 /nfs/dbraw/zinc/21/27/88/631212788.db2.gz LTXADJLSXLSTHW-GFCCVEGCSA-N 1 0 317.433 3.110 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c1O ZINC000846164153 631212990 /nfs/dbraw/zinc/21/29/90/631212990.db2.gz NLMWNVOQCSDBQQ-LIRRHRJNSA-N 1 0 315.413 3.349 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2nn(C)c3ccccc23)c1O ZINC000846162434 631213037 /nfs/dbraw/zinc/21/30/37/631213037.db2.gz HHWFOBGLFPOWFW-GFCCVEGCSA-N 1 0 311.385 3.138 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)c2ccccn2)c1O ZINC000846169677 631213182 /nfs/dbraw/zinc/21/31/82/631213182.db2.gz JYIQERMNMIFKCA-CYBMUJFWSA-N 1 0 300.402 3.424 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c1O ZINC000846166797 631213214 /nfs/dbraw/zinc/21/32/14/631213214.db2.gz PDNKSBHEHVGNBB-ZFWWWQNUSA-N 1 0 304.434 3.068 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)c1O ZINC000846169348 631213282 /nfs/dbraw/zinc/21/32/82/631213282.db2.gz CYMSWYSGYKEOFS-PMUMKWKESA-N 1 0 315.413 3.482 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846169327 631213301 /nfs/dbraw/zinc/21/33/01/631213301.db2.gz GVBVYNFMRPNJKT-WDEREUQCSA-N 1 0 321.339 3.409 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000846215077 631215138 /nfs/dbraw/zinc/21/51/38/631215138.db2.gz JZQSAQDDUNWBOO-CJNGLKHVSA-N 1 0 312.413 3.128 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OC3CCC3)C1)CCC2 ZINC000848497768 631670376 /nfs/dbraw/zinc/67/03/76/631670376.db2.gz QEBURJRKEUJZRC-SFHVURJKSA-N 1 0 301.430 3.414 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000848560797 631692973 /nfs/dbraw/zinc/69/29/73/631692973.db2.gz RMRSKXWFGCPHAX-MSOLQXFVSA-N 1 0 305.418 3.228 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000848562366 631693964 /nfs/dbraw/zinc/69/39/64/631693964.db2.gz IOEMZUOUMAHQKQ-KBPBESRZSA-N 1 0 306.450 3.381 20 10 DGCDRO COCC1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000848564129 631694567 /nfs/dbraw/zinc/69/45/67/631694567.db2.gz CDBXGWCLVGEVOY-UHFFFAOYSA-N 1 0 316.367 3.288 20 10 DGCDRO C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000848564740 631694961 /nfs/dbraw/zinc/69/49/61/631694961.db2.gz HSDHUHHGJJOLCI-MVGZEHJDSA-N 1 0 318.461 3.333 20 10 DGCDRO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000848573588 631698982 /nfs/dbraw/zinc/69/89/82/631698982.db2.gz WCEZKFWRQUGJNR-CQSZACIVSA-N 1 0 313.397 3.267 20 10 DGCDRO CCc1cccc(C[N@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c1O ZINC000848887872 631772937 /nfs/dbraw/zinc/77/29/37/631772937.db2.gz GXJQCMCYTUKYBP-QZTJIDSGSA-N 1 0 318.461 3.176 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2ccc(OC)c(F)c2)c1O ZINC000848894668 631775561 /nfs/dbraw/zinc/77/55/61/631775561.db2.gz GIGQSDOCGNEBKP-UHFFFAOYSA-N 1 0 303.377 3.435 20 10 DGCDRO CCc1cccc(C[NH2+]CCN2CCc3sccc3C2)c1O ZINC000848894159 631775841 /nfs/dbraw/zinc/77/58/41/631775841.db2.gz JYBBZOQQIDUXCR-UHFFFAOYSA-N 1 0 316.470 3.164 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1O ZINC000848895560 631776812 /nfs/dbraw/zinc/77/68/12/631776812.db2.gz NITPHSSVAJAKIN-UHFFFAOYSA-N 1 0 300.358 3.195 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000848897601 631777695 /nfs/dbraw/zinc/77/76/95/631777695.db2.gz JXXWIMQFZQWALL-CQSZACIVSA-N 1 0 322.412 3.386 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1O ZINC000848901171 631779946 /nfs/dbraw/zinc/77/99/46/631779946.db2.gz VXCCOSVRSIATHS-SFHVURJKSA-N 1 0 303.377 3.091 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1O ZINC000848904016 631780404 /nfs/dbraw/zinc/78/04/04/631780404.db2.gz ITQFWZPTDZSIMJ-HXUWFJFHSA-N 1 0 322.408 3.050 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1O ZINC000848904015 631780858 /nfs/dbraw/zinc/78/08/58/631780858.db2.gz ITQFWZPTDZSIMJ-FQEVSTJZSA-N 1 0 322.408 3.050 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1O ZINC000848912376 631784293 /nfs/dbraw/zinc/78/42/93/631784293.db2.gz PYAMZUHHGCTXMA-MRXNPFEDSA-N 1 0 319.832 3.474 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000848926061 631791332 /nfs/dbraw/zinc/79/13/32/631791332.db2.gz KPMVDLJABAPHGX-AWEZNQCLSA-N 1 0 306.450 3.128 20 10 DGCDRO CN(C)c1ccc(CNC(=[NH2+])Nc2cc(F)ccc2F)cc1 ZINC000849081273 631829691 /nfs/dbraw/zinc/82/96/91/631829691.db2.gz PNHVCBXBPGBSHF-UHFFFAOYSA-N 1 0 304.344 3.167 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H](O)CC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850099640 632056507 /nfs/dbraw/zinc/05/65/07/632056507.db2.gz RJELGGVMEIHREX-AWEZNQCLSA-N 1 0 309.450 3.195 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)CC1 ZINC000850130103 632062677 /nfs/dbraw/zinc/06/26/77/632062677.db2.gz ZOPQQDWXKJIKOO-UHFFFAOYSA-N 1 0 324.472 3.355 20 10 DGCDRO CC[C@H](CCO)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850182601 632075301 /nfs/dbraw/zinc/07/53/01/632075301.db2.gz ILPOZZLCUYCTDM-CYBMUJFWSA-N 1 0 309.450 3.197 20 10 DGCDRO COc1cc(C[NH2+]C2(C)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850222524 632084951 /nfs/dbraw/zinc/08/49/51/632084951.db2.gz IPPBEOAVBVIYPY-UHFFFAOYSA-N 1 0 307.434 3.357 20 10 DGCDRO COc1cc(C[NH2+]CCC[C@@H](C)CO)c(O)c(C(C)(C)C)c1 ZINC000850226880 632086326 /nfs/dbraw/zinc/08/63/26/632086326.db2.gz UHNJNHUMFGSGQM-CYBMUJFWSA-N 1 0 309.450 3.197 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)c2cn[nH]c2)c(O)c(C(C)(C)C)c1 ZINC000850226601 632086397 /nfs/dbraw/zinc/08/63/97/632086397.db2.gz QVJHUHNBXSRGRX-LLVKDONJSA-N 1 0 303.406 3.272 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850234562 632089696 /nfs/dbraw/zinc/08/96/96/632089696.db2.gz IHESYCOWPCWSQV-GXTWGEPZSA-N 1 0 307.434 3.355 20 10 DGCDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850249580 632094087 /nfs/dbraw/zinc/09/40/87/632094087.db2.gz DJRJGWFWPYZPBD-PSKZRQQASA-N 1 0 307.434 3.115 20 10 DGCDRO COc1cc(C[NH2+][C@@](C)(CO)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850307549 632109751 /nfs/dbraw/zinc/10/97/51/632109751.db2.gz YQYHMQJIIDDXSF-SFHVURJKSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)c2ccn(C)n2)c(O)c(C(C)(C)C)c1 ZINC000850325195 632113784 /nfs/dbraw/zinc/11/37/84/632113784.db2.gz WTISTANWISEBCY-GFCCVEGCSA-N 1 0 317.433 3.283 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3sc(C)nc3C)C2)cc1 ZINC000850346269 632120174 /nfs/dbraw/zinc/12/01/74/632120174.db2.gz DQRJLDQLEIQXDI-AWEZNQCLSA-N 1 0 317.458 3.137 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3sccc3C)C2)cc1 ZINC000850345582 632120351 /nfs/dbraw/zinc/12/03/51/632120351.db2.gz FMYNRYJMRRASFE-CQSZACIVSA-N 1 0 302.443 3.434 20 10 DGCDRO COc1ccsc1C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346721 632120906 /nfs/dbraw/zinc/12/09/06/632120906.db2.gz IOQNWQJSHSASDL-ZDUSSCGKSA-N 1 0 318.442 3.134 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)c2ncnn21 ZINC000850352458 632122592 /nfs/dbraw/zinc/12/25/92/632122592.db2.gz XBRRRFKXHFFGJI-SUMWQHHRSA-N 1 0 320.396 3.446 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)c2ncnn21 ZINC000850352455 632122956 /nfs/dbraw/zinc/12/29/56/632122956.db2.gz XBRRRFKXHFFGJI-CXAGYDPISA-N 1 0 320.396 3.446 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C/C=C\CO)cc1 ZINC000850357321 632124543 /nfs/dbraw/zinc/12/45/43/632124543.db2.gz FPYNHLIHUSBWPB-IHWYPQMZSA-N 1 0 302.443 3.023 20 10 DGCDRO COc1cc(C[NH2+][C@H]2COC3(CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850371017 632129422 /nfs/dbraw/zinc/12/94/22/632129422.db2.gz XIQLGQCXHAYEDQ-CQSZACIVSA-N 1 0 319.445 3.500 20 10 DGCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC1CC1 ZINC000850386283 632135192 /nfs/dbraw/zinc/13/51/92/632135192.db2.gz HYQHOCLGRJXBIF-SFHVURJKSA-N 1 0 302.462 3.175 20 10 DGCDRO Cc1cncc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000850390851 632136731 /nfs/dbraw/zinc/13/67/31/632136731.db2.gz VNMRYMJRBDLAIR-UHFFFAOYSA-N 1 0 310.445 3.108 20 10 DGCDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C12CCC2 ZINC000850389002 632136970 /nfs/dbraw/zinc/13/69/70/632136970.db2.gz RLLGTFYFXVAOLM-ZWKOTPCHSA-N 1 0 300.446 3.070 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)o1 ZINC000850405856 632142510 /nfs/dbraw/zinc/14/25/10/632142510.db2.gz HXUDPKNUPTXSEV-UHFFFAOYSA-N 1 0 314.429 3.147 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]CCCc1ccco1 ZINC000850407304 632142622 /nfs/dbraw/zinc/14/26/22/632142622.db2.gz CSXRMYURVFDUMT-UHFFFAOYSA-N 1 0 310.191 3.470 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1F ZINC000850409300 632143525 /nfs/dbraw/zinc/14/35/25/632143525.db2.gz QDRLVIQQKQHTOR-AYOQOUSVSA-N 1 0 314.379 3.459 20 10 DGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000850412059 632144207 /nfs/dbraw/zinc/14/42/07/632144207.db2.gz SIPPYJTWBFXZSJ-YVEFUNNKSA-N 1 0 305.805 3.300 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)C3(OC)CCC3)C2)cc1 ZINC000850475290 632164304 /nfs/dbraw/zinc/16/43/04/632164304.db2.gz YXQGEDFSZUUNDS-CVEARBPZSA-N 1 0 318.461 3.069 20 10 DGCDRO CON(C)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000850479461 632165233 /nfs/dbraw/zinc/16/52/33/632165233.db2.gz ULPOWKJPYZGEJZ-SFHVURJKSA-N 1 0 314.429 3.149 20 10 DGCDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(Br)ccc1O ZINC000850482969 632166097 /nfs/dbraw/zinc/16/60/97/632166097.db2.gz TUXMWGQJXMCUCS-GXSJLCMTSA-N 1 0 314.223 3.373 20 10 DGCDRO COC[C@H](CC[NH2+][C@H](C)c1ccc2ccccc2c1O)OC ZINC000850485192 632166814 /nfs/dbraw/zinc/16/68/14/632166814.db2.gz CLFACKOGAOQMRM-HIFRSBDPSA-N 1 0 303.402 3.248 20 10 DGCDRO COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850485640 632167172 /nfs/dbraw/zinc/16/71/72/632167172.db2.gz AIFVCLFJHVQLAZ-CVEARBPZSA-N 1 0 320.477 3.315 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CC3CCOCC3)C2)cc1 ZINC000850486169 632167463 /nfs/dbraw/zinc/16/74/63/632167463.db2.gz ABAAYYIZYIZAKD-DOTOQJQBSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3csc(C)n3)C2)cc1 ZINC000850489143 632168504 /nfs/dbraw/zinc/16/85/04/632168504.db2.gz RFPDRPQXVOEEQJ-TZMCWYRMSA-N 1 0 317.458 3.390 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)c1ccncc1 ZINC000850488866 632168582 /nfs/dbraw/zinc/16/85/82/632168582.db2.gz VKROJCFGKRFYNT-LPHOPBHVSA-N 1 0 311.429 3.410 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c(O)c1 ZINC000850501068 632172668 /nfs/dbraw/zinc/17/26/68/632172668.db2.gz JPOJFMUOBOFHGD-TYTKBFJVSA-N 1 0 309.475 3.349 20 10 DGCDRO COC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(OC)c1 ZINC000850512783 632175351 /nfs/dbraw/zinc/17/53/51/632175351.db2.gz BACIKKPNOQVUCH-IAGOWNOFSA-N 1 0 313.397 3.365 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cccc(OC)c1 ZINC000850515180 632176555 /nfs/dbraw/zinc/17/65/55/632176555.db2.gz UBCCMHJETZWKAD-SUMWQHHRSA-N 1 0 301.386 3.439 20 10 DGCDRO COCc1csc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000850533279 632184350 /nfs/dbraw/zinc/18/43/50/632184350.db2.gz URCKWOGDOQPHFR-NSHDSACASA-N 1 0 307.415 3.460 20 10 DGCDRO C[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1cc(F)ccc1O ZINC000850536646 632185640 /nfs/dbraw/zinc/18/56/40/632185640.db2.gz IPGLNOJVUOKXQZ-IINYFYTJSA-N 1 0 305.324 3.325 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cc2c(cc1O)CCCC2 ZINC000850547769 632188958 /nfs/dbraw/zinc/18/89/58/632188958.db2.gz WAFZDMJSCDSHDO-IGNZVWTISA-N 1 0 301.430 3.225 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C ZINC000850558714 632192896 /nfs/dbraw/zinc/19/28/96/632192896.db2.gz TXXRUSXEMGZFMP-HUUCEWRRSA-N 1 0 318.461 3.307 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1 ZINC000850559230 632193828 /nfs/dbraw/zinc/19/38/28/632193828.db2.gz YFNNXGSRUWZDKS-HUUCEWRRSA-N 1 0 318.461 3.307 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)CC1 ZINC000850567316 632196492 /nfs/dbraw/zinc/19/64/92/632196492.db2.gz ZHWFAZKVTIOLRU-NRFANRHFSA-N 1 0 322.452 3.425 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@@H]1C ZINC000850568008 632196562 /nfs/dbraw/zinc/19/65/62/632196562.db2.gz NVVPRTXWSIWHSA-KYNGSXCRSA-N 1 0 302.462 3.172 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000850568471 632196747 /nfs/dbraw/zinc/19/67/47/632196747.db2.gz YGSULQQUESMBKE-WOJBJXKFSA-N 1 0 314.473 3.316 20 10 DGCDRO CO[C@@H](C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)[C@H]1CCOC1 ZINC000851732049 632477190 /nfs/dbraw/zinc/47/71/90/632477190.db2.gz HZOMSLWGGLHQIQ-HKUYNNGSSA-N 1 0 320.477 3.015 20 10 DGCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CNC(=O)C1 ZINC000851879876 632513146 /nfs/dbraw/zinc/51/31/46/632513146.db2.gz QDBAUNMQBUSBRV-CVEARBPZSA-N 1 0 324.424 3.092 20 10 DGCDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185117110 660202700 /nfs/dbraw/zinc/20/27/00/660202700.db2.gz IINQSKHSAFUOST-GOEBONIOSA-N 1 0 317.429 3.230 20 10 DGCDRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C2 ZINC000185334953 660215731 /nfs/dbraw/zinc/21/57/31/660215731.db2.gz LRPKKCKUJSHTPG-RISCZKNCSA-N 1 0 317.360 3.194 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000174007955 659410024 /nfs/dbraw/zinc/41/00/24/659410024.db2.gz SEXPYJUXNPIKLN-JKSUJKDBSA-N 1 0 311.429 3.330 20 10 DGCDRO COCCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183019320 660099437 /nfs/dbraw/zinc/09/94/37/660099437.db2.gz UNBCMQUSUTWSNS-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000186095046 660266152 /nfs/dbraw/zinc/26/61/52/660266152.db2.gz QYQJSNFNMIVIEY-LRTDBIEQSA-N 1 0 303.427 3.289 20 10 DGCDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000083552435 660310728 /nfs/dbraw/zinc/31/07/28/660310728.db2.gz SQTMACWEWAVSED-UHFFFAOYSA-N 1 0 306.749 3.286 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC(C)C)C2)cc1C ZINC000998413361 660388120 /nfs/dbraw/zinc/38/81/20/660388120.db2.gz LGOYWUPHSNSSSD-QGZVFWFLSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1cc(C)cc(CN2CC[NH+](C3CCCCC3)CC2)c1O ZINC000164520687 660608129 /nfs/dbraw/zinc/60/81/29/660608129.db2.gz JOXFPYUQICCIAG-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO COC(C)(C)C[N@H+](C)Cc1ccc(Br)cc1O ZINC000701191028 660660098 /nfs/dbraw/zinc/66/00/98/660660098.db2.gz CRPRDSSHQUHSGP-UHFFFAOYSA-N 1 0 302.212 3.012 20 10 DGCDRO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]Cc2cc(F)ccc2O)C1 ZINC000701874552 660689615 /nfs/dbraw/zinc/68/96/15/660689615.db2.gz ATTZXXRONQSAHO-KRWDZBQOSA-N 1 0 324.396 3.020 20 10 DGCDRO Cc1cccc(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000701856009 660690715 /nfs/dbraw/zinc/69/07/15/660690715.db2.gz NXLJYYCQYAFZQS-SFHVURJKSA-N 1 0 320.433 3.190 20 10 DGCDRO CCC[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)OCC ZINC000705354925 660837390 /nfs/dbraw/zinc/83/73/90/660837390.db2.gz YVKBHLOLYLVFCD-ZDUSSCGKSA-N 1 0 301.814 3.349 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCCSC1 ZINC000706821280 660873930 /nfs/dbraw/zinc/87/39/30/660873930.db2.gz ATMMVIRVLZBDNV-JTQLQIEISA-N 1 0 316.264 3.388 20 10 DGCDRO CC(C)(O)C(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC000706863881 660875245 /nfs/dbraw/zinc/87/52/45/660875245.db2.gz WKABHDHRKHKSDH-UHFFFAOYSA-N 1 0 316.239 3.041 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CS1 ZINC000706872008 660875777 /nfs/dbraw/zinc/87/57/77/660875777.db2.gz BOTHUCYTMRRFLX-BDAKNGLRSA-N 1 0 302.237 3.138 20 10 DGCDRO CO[C@@H]([C@H](C)[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706881085 660879322 /nfs/dbraw/zinc/87/93/22/660879322.db2.gz LXTYEQUPPVIWNJ-XPTSAGLGSA-N 1 0 314.223 3.058 20 10 DGCDRO C[N@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1ccccc1O ZINC000792788730 660984777 /nfs/dbraw/zinc/98/47/77/660984777.db2.gz RXTYNCCWRJWDMC-UHFFFAOYSA-N 1 0 311.360 3.349 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c(C(F)(F)F)c1 ZINC000792830032 660987456 /nfs/dbraw/zinc/98/74/56/660987456.db2.gz UKGCFEQELGJPFY-OAHLLOKOSA-N 1 0 316.367 3.118 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCOC2CCC2)c(C(F)(F)F)c1 ZINC000793001849 660999493 /nfs/dbraw/zinc/99/94/93/660999493.db2.gz RJKBTRRANDZTDS-UHFFFAOYSA-N 1 0 316.367 3.430 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c(C(F)(F)F)c1 ZINC000793095092 661004697 /nfs/dbraw/zinc/00/46/97/661004697.db2.gz YJHHJBVLCKBTGO-KGLIPLIRSA-N 1 0 316.367 3.020 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCC2CC(O)C2)c(C(F)(F)F)c1 ZINC000793187586 661011311 /nfs/dbraw/zinc/01/13/11/661011311.db2.gz UUNJCJRHKYRBGH-UHFFFAOYSA-N 1 0 316.367 3.022 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000793232573 661015609 /nfs/dbraw/zinc/01/56/09/661015609.db2.gz YUPALNDFGJAHJW-KOLCDFICSA-N 1 0 319.323 3.182 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C/c2ccc(F)cc2F)c(O)c1 ZINC000793387189 661029203 /nfs/dbraw/zinc/02/92/03/661029203.db2.gz AMLAFUMRDQVAHC-NSCUHMNNSA-N 1 0 305.324 3.482 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000794659143 661096661 /nfs/dbraw/zinc/09/66/61/661096661.db2.gz LMHBKJYFTMOUQX-JQWIXIFHSA-N 1 0 303.324 3.482 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H](C2CC2)O1 ZINC000794661321 661096699 /nfs/dbraw/zinc/09/66/99/661096699.db2.gz ZCRXWSVQQYBNAG-YJYMSZOUSA-N 1 0 301.430 3.270 20 10 DGCDRO CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C)cc1O ZINC000794789922 661105213 /nfs/dbraw/zinc/10/52/13/661105213.db2.gz BAIYDMKMMUSVFF-NUJGCVRESA-N 1 0 320.477 3.241 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1O ZINC000794791927 661105273 /nfs/dbraw/zinc/10/52/73/661105273.db2.gz CQBMMUKKBFGFRA-FUHWJXTLSA-N 1 0 320.477 3.098 20 10 DGCDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000794797884 661105696 /nfs/dbraw/zinc/10/56/96/661105696.db2.gz QUPZEFOCRINMGT-GOSISDBHSA-N 1 0 310.445 3.188 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CO)c1ccccc1OC)c1ccc(C)cc1O ZINC000794812507 661106625 /nfs/dbraw/zinc/10/66/25/661106625.db2.gz WSDYQUULWQFEKZ-IRXDYDNUSA-N 1 0 315.413 3.484 20 10 DGCDRO CC[C@H]([NH2+]CCCNc1ncccn1)c1ccc(C)cc1O ZINC000794810623 661106633 /nfs/dbraw/zinc/10/66/33/661106633.db2.gz MIQNUYYHLQYRFE-HNNXBMFYSA-N 1 0 300.406 3.034 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)c1ccccc1OC)c1ccc(C)cc1O ZINC000794812430 661106684 /nfs/dbraw/zinc/10/66/84/661106684.db2.gz WSDYQUULWQFEKZ-DLBZAZTESA-N 1 0 315.413 3.484 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(C)cc1O ZINC000794815885 661106845 /nfs/dbraw/zinc/10/68/45/661106845.db2.gz IJWYAIYUTNYYEB-GOSISDBHSA-N 1 0 324.424 3.227 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1O ZINC000794818592 661107010 /nfs/dbraw/zinc/10/70/10/661107010.db2.gz VRGOKIYMONDCNP-AEFFLSMTSA-N 1 0 317.404 3.484 20 10 DGCDRO CNC(=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000795600540 661163352 /nfs/dbraw/zinc/16/33/52/661163352.db2.gz GWIHLXSTAOPJIL-OAHLLOKOSA-N 1 0 318.804 3.013 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000072672143 655607797 /nfs/dbraw/zinc/60/77/97/655607797.db2.gz XPKXLFWKFUPEGH-OAHLLOKOSA-N 1 0 300.402 3.275 20 10 DGCDRO Cc1cn2c(C[NH2+]Cc3ccc(N(C)C)cc3)c(C)nc2s1 ZINC000078778219 655608892 /nfs/dbraw/zinc/60/88/92/655608892.db2.gz LKNRLNGKOAROEM-UHFFFAOYSA-N 1 0 314.458 3.368 20 10 DGCDRO Cc1noc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)n1 ZINC000795750997 661171311 /nfs/dbraw/zinc/17/13/11/661171311.db2.gz AYKJTPLHRQZFAJ-MRXNPFEDSA-N 1 0 313.401 3.300 20 10 DGCDRO CO[C@@H](C)C[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000795752494 661171669 /nfs/dbraw/zinc/17/16/69/661171669.db2.gz TVPBNMLAICPNBZ-LBPRGKRZSA-N 1 0 303.402 3.484 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccccc3)C2)cc1C ZINC001021784495 655676823 /nfs/dbraw/zinc/67/68/23/655676823.db2.gz HNFSHNHOTCATCH-HDICACEKSA-N 1 0 324.424 3.054 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]CCc1ccccc1 ZINC000076275383 655702955 /nfs/dbraw/zinc/70/29/55/655702955.db2.gz JVIACIYVOBYUTQ-UHFFFAOYSA-N 1 0 306.203 3.487 20 10 DGCDRO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000795852695 661176263 /nfs/dbraw/zinc/17/62/63/661176263.db2.gz RKCJWMSYDJJHOE-WMLDXEAASA-N 1 0 312.413 3.229 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2Br)c1 ZINC000048819841 655777908 /nfs/dbraw/zinc/77/79/08/655777908.db2.gz GVFHYBMDVDRONM-UHFFFAOYSA-N 1 0 322.202 3.453 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)c1O ZINC000309724041 655879771 /nfs/dbraw/zinc/87/97/71/655879771.db2.gz MZVAMLSBTNOMES-LPHOPBHVSA-N 1 0 310.441 3.453 20 10 DGCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000177224925 655917611 /nfs/dbraw/zinc/91/76/11/655917611.db2.gz BGRGNHNCPIMCMZ-GOSISDBHSA-N 1 0 305.418 3.209 20 10 DGCDRO CC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(N(C)C)cc1 ZINC000180510560 655966468 /nfs/dbraw/zinc/96/64/68/655966468.db2.gz YXAQLOROWVEKJP-UHFFFAOYSA-N 1 0 316.401 3.154 20 10 DGCDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000123412750 656179247 /nfs/dbraw/zinc/17/92/47/656179247.db2.gz UKVKCLAARCQWNN-ZDUSSCGKSA-N 1 0 317.458 3.139 20 10 DGCDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000162736395 656201697 /nfs/dbraw/zinc/20/16/97/656201697.db2.gz CQNYHCPVFFHWDI-WMLDXEAASA-N 1 0 308.441 3.484 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCOCC2CCCC2)c1O ZINC000313256962 656266010 /nfs/dbraw/zinc/26/60/10/656266010.db2.gz UJYLXUIYJIHFMN-UHFFFAOYSA-N 1 0 313.825 3.351 20 10 DGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000313461561 656281347 /nfs/dbraw/zinc/28/13/47/656281347.db2.gz OOUDYYFKFZXXTP-AWEZNQCLSA-N 1 0 313.825 3.445 20 10 DGCDRO CSCCCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000185161757 656427859 /nfs/dbraw/zinc/42/78/59/656427859.db2.gz HXHBNSZPFJEAFG-UHFFFAOYSA-N 1 0 308.491 3.146 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCc2nn(C)c3ccccc23)cc1C ZINC000187390923 661287212 /nfs/dbraw/zinc/28/72/12/661287212.db2.gz DMTJPVLPDJSDLJ-UHFFFAOYSA-N 1 0 309.413 3.228 20 10 DGCDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)C1(C)C ZINC000236853486 656924062 /nfs/dbraw/zinc/92/40/62/656924062.db2.gz WLNICQRQJIHVRJ-JKSUJKDBSA-N 1 0 307.434 3.474 20 10 DGCDRO Cc1cc(C)c(O)c(CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000178893275 657107433 /nfs/dbraw/zinc/10/74/33/657107433.db2.gz LIFDINRKRUEOCA-UHFFFAOYSA-N 1 0 302.462 3.459 20 10 DGCDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000237135221 657177566 /nfs/dbraw/zinc/17/75/66/657177566.db2.gz XSXBQGAZPDJWPV-UHFFFAOYSA-N 1 0 304.434 3.108 20 10 DGCDRO C[C@@H]([NH2+]CC1(CO)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000305117069 657682990 /nfs/dbraw/zinc/68/29/90/657682990.db2.gz FWFSAZHBFNZKSA-CQSZACIVSA-N 1 0 306.425 3.239 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000305718543 657927888 /nfs/dbraw/zinc/92/78/88/657927888.db2.gz VHLQPTOJRTVFRO-MRXNPFEDSA-N 1 0 309.768 3.182 20 10 DGCDRO CCCCOCCC[NH2+]Cc1cc(Br)ccc1O ZINC000076275385 658489383 /nfs/dbraw/zinc/48/93/83/658489383.db2.gz NRWYBJJAMRDCTI-UHFFFAOYSA-N 1 0 316.239 3.451 20 10 DGCDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)N(C)C ZINC000192953322 658825662 /nfs/dbraw/zinc/82/56/62/658825662.db2.gz KVEUZDATKZKMMH-CXAGYDPISA-N 1 0 308.466 3.418 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000155815089 658850191 /nfs/dbraw/zinc/85/01/91/658850191.db2.gz AMGJHNVOFOXYQL-HIFRSBDPSA-N 1 0 320.433 3.442 20 10 DGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164231729 658923472 /nfs/dbraw/zinc/92/34/72/658923472.db2.gz KPJBCVNIGDSAFI-MRXNPFEDSA-N 1 0 318.461 3.137 20 10 DGCDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164370476 658929814 /nfs/dbraw/zinc/92/98/14/658929814.db2.gz RNPFRAIEPMFQSD-OAHLLOKOSA-N 1 0 320.477 3.224 20 10 DGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C12CCC2 ZINC000164512331 658936939 /nfs/dbraw/zinc/93/69/39/658936939.db2.gz CQSSEINRYDDPJN-IRXDYDNUSA-N 1 0 319.445 3.489 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1F ZINC000157857177 659112695 /nfs/dbraw/zinc/11/26/95/659112695.db2.gz ARAQLWIIPSFBIM-SFHVURJKSA-N 1 0 320.383 3.028 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC000227687770 659160855 /nfs/dbraw/zinc/16/08/55/659160855.db2.gz LCCLELDPMWUDDA-ZDUSSCGKSA-N 1 0 308.422 3.006 20 10 DGCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000227689277 659161651 /nfs/dbraw/zinc/16/16/51/659161651.db2.gz SQTGKCDANSEYRX-KBPBESRZSA-N 1 0 321.465 3.316 20 10 DGCDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173496082 659389544 /nfs/dbraw/zinc/38/95/44/659389544.db2.gz ANFHAZLQCXBICR-AWEZNQCLSA-N 1 0 320.477 3.169 20 10 DGCDRO CC[N@H+](CCSC)Cc1cc(Br)ccc1O ZINC000174426747 659432631 /nfs/dbraw/zinc/43/26/31/659432631.db2.gz ASSOIFGCARLBDR-UHFFFAOYSA-N 1 0 304.253 3.340 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000324210685 659625214 /nfs/dbraw/zinc/62/52/14/659625214.db2.gz NZJAIFYDVOMSMK-CHWSQXEVSA-N 1 0 324.428 3.334 20 10 DGCDRO CN(C[C@H]1CCC[N@@H+]1Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000179584578 659934163 /nfs/dbraw/zinc/93/41/63/659934163.db2.gz ZQNANYGIWHHQCH-OAHLLOKOSA-N 1 0 320.433 3.224 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000179672676 659936922 /nfs/dbraw/zinc/93/69/22/659936922.db2.gz SMBISOHDYMEWCB-UHFFFAOYSA-N 1 0 320.433 3.143 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000179770146 659941152 /nfs/dbraw/zinc/94/11/52/659941152.db2.gz WYXZVWMWWMYTOO-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1O ZINC000179900680 659945156 /nfs/dbraw/zinc/94/51/56/659945156.db2.gz OPQCLWPGUVMXGQ-VIFPVBQESA-N 1 0 324.302 3.099 20 10 DGCDRO OCCC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCc2ccccc21 ZINC000180153377 659953199 /nfs/dbraw/zinc/95/31/99/659953199.db2.gz XLXCDPGXZLUBEH-GOSISDBHSA-N 1 0 315.388 3.403 20 10 DGCDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000180158134 659953275 /nfs/dbraw/zinc/95/32/75/659953275.db2.gz PTWJIRRUDHMELZ-ZDUSSCGKSA-N 1 0 316.474 3.122 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000180194589 659954843 /nfs/dbraw/zinc/95/48/43/659954843.db2.gz PALFOLYLOJBKEL-LJQANCHMSA-N 1 0 313.372 3.205 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000180488986 659964154 /nfs/dbraw/zinc/96/41/54/659964154.db2.gz FGVQMQDADHOHTF-KRWDZBQOSA-N 1 0 312.413 3.477 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000180910060 659973646 /nfs/dbraw/zinc/97/36/46/659973646.db2.gz MKLQASNYCCLRAN-HNNXBMFYSA-N 1 0 309.381 3.087 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(N(C)C)cc1 ZINC000182134362 660036025 /nfs/dbraw/zinc/03/60/25/660036025.db2.gz IJPODYSRBKVMHX-YJBOKZPZSA-N 1 0 318.461 3.479 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000183511340 660121123 /nfs/dbraw/zinc/12/11/23/660121123.db2.gz ZTTMKZAPVBBZKB-QWHCGFSZSA-N 1 0 306.406 3.052 20 10 DGCDRO FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931161694 661457987 /nfs/dbraw/zinc/45/79/87/661457987.db2.gz DNSYJVNIAMSZPH-CALCHBBNSA-N 1 0 322.399 3.285 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1COc2c(cccc2OC)C1)c1ccccc1O ZINC000155623521 661849853 /nfs/dbraw/zinc/84/98/53/661849853.db2.gz QLXNUTQRWNHGIR-HOCLYGCPSA-N 1 0 313.397 3.445 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccccc1F ZINC000075829152 661951102 /nfs/dbraw/zinc/95/11/02/661951102.db2.gz SWNGDNBYOJXVDO-GOSISDBHSA-N 1 0 303.377 3.477 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000192680175 662108011 /nfs/dbraw/zinc/10/80/11/662108011.db2.gz HDAINPULHMFXTC-OLZOCXBDSA-N 1 0 308.422 3.264 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccccc2)N(C)C)c1 ZINC000192907346 662115697 /nfs/dbraw/zinc/11/56/97/662115697.db2.gz XXCJFDVYYAQHHO-RDTXWAMCSA-N 1 0 314.429 3.354 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H](c2ccccc2)O1 ZINC000245997803 662245792 /nfs/dbraw/zinc/24/57/92/662245792.db2.gz RMIBXGCLUNAYML-ACJLOTCBSA-N 1 0 301.361 3.493 20 10 DGCDRO CCC(CC)(C[NH2+]Cc1cc(Br)ccc1O)OC ZINC000381290669 685156740 /nfs/dbraw/zinc/15/67/40/685156740.db2.gz XFXMEDZHAQZQIF-UHFFFAOYSA-N 1 0 316.239 3.450 20 10 DGCDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000389854502 685197070 /nfs/dbraw/zinc/19/70/70/685197070.db2.gz YNSWJNCBMVAJPH-LZQZEXGQSA-N 1 0 322.452 3.490 20 10 DGCDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000397858619 685233035 /nfs/dbraw/zinc/23/30/35/685233035.db2.gz XMMUJHJGPAJLGS-LSDHHAIUSA-N 1 0 320.433 3.174 20 10 DGCDRO CCc1ccccc1[C@@H](N)C[NH2+]Cc1c(O)cccc1Cl ZINC001578275383 1191936449 /nfs/dbraw/zinc/93/64/49/1191936449.db2.gz KSDADQDLYYZCDM-INIZCTEOSA-N 1 0 304.821 3.398 20 10 DGCDRO Nc1ccc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC001580445474 1192027013 /nfs/dbraw/zinc/02/70/13/1192027013.db2.gz FXQAVIWCTJMMBF-HNNXBMFYSA-N 1 0 310.319 3.111 20 10 DGCDRO Oc1c(C[NH2+]C[C@]2(C(F)(F)F)CCCN2)ccc2ccccc21 ZINC001580885576 1192043998 /nfs/dbraw/zinc/04/39/98/1192043998.db2.gz FKEUOCNSXCAKGB-INIZCTEOSA-N 1 0 324.346 3.320 20 10 DGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001620805222 1192086040 /nfs/dbraw/zinc/08/60/40/1192086040.db2.gz NDPQQEVATVUWCF-CABCVRRESA-N 1 0 301.434 3.464 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)C2CCOCC2)ccc1OC ZINC001620855860 1192462989 /nfs/dbraw/zinc/46/29/89/1192462989.db2.gz QHMIGGBGYBEKJB-AWEZNQCLSA-N 1 0 307.434 3.136 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1O ZINC001590461320 1192510444 /nfs/dbraw/zinc/51/04/44/1192510444.db2.gz AWAUSKYHOHZLOS-MLGOLLRUSA-N 1 0 323.400 3.374 20 10 DGCDRO CCCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001126578658 1177104638 /nfs/dbraw/zinc/10/46/38/1177104638.db2.gz FEFRXAYQURVDDP-AWEZNQCLSA-N 1 0 306.450 3.036 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCC(=O)NC(C)(C)C ZINC000388550266 1178073693 /nfs/dbraw/zinc/07/36/93/1178073693.db2.gz FRAAQRYNNNDKLJ-STQMWFEESA-N 1 0 304.434 3.143 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(C)CCCC[C@H]2O)cc1F ZINC001331273135 1178171066 /nfs/dbraw/zinc/17/10/66/1178171066.db2.gz VQRDPKLDDPQBNF-SJORKVTESA-N 1 0 312.404 3.062 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1F ZINC001331496872 1178226327 /nfs/dbraw/zinc/22/63/27/1178226327.db2.gz DAFMVCJAYJGWEA-SRCQZFHVSA-N 1 0 310.388 3.078 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC001332507801 1178459011 /nfs/dbraw/zinc/45/90/11/1178459011.db2.gz UTEJEYHKBOHWGA-GOSISDBHSA-N 1 0 317.477 3.023 20 10 DGCDRO O[C@H]1C[C@]([NH2+]Cc2ccc(N3CCCC3)cc2)(c2ccccc2)C1 ZINC001333133891 1178561427 /nfs/dbraw/zinc/56/14/27/1178561427.db2.gz NIWDJNDCSWWULN-OYRHEFFESA-N 1 0 322.452 3.427 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)c(O)c1OC ZINC001334317866 1178748432 /nfs/dbraw/zinc/74/84/32/1178748432.db2.gz JNOSEAMWPYVICJ-CYBMUJFWSA-N 1 0 323.458 3.317 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC001336077228 1178990243 /nfs/dbraw/zinc/99/02/43/1178990243.db2.gz HZMQZVOXDMFSHC-SGJCYKPQSA-N 1 0 308.425 3.463 20 10 DGCDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001342502427 1179146947 /nfs/dbraw/zinc/14/69/47/1179146947.db2.gz GJWLNDXBMNXFHI-HNNXBMFYSA-N 1 0 316.445 3.060 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]CCCC(F)(F)F)C2)cc1 ZINC001343203517 1179243863 /nfs/dbraw/zinc/24/38/63/1179243863.db2.gz FZDIRZVTEQADAB-GFCCVEGCSA-N 1 0 302.340 3.206 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)N2CCC[C@H](C)C2)c(O)c1 ZINC001343914569 1179348685 /nfs/dbraw/zinc/34/86/85/1179348685.db2.gz BLJGNHDPTAJGLS-BBRMVZONSA-N 1 0 318.461 3.308 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C)C(C)C ZINC001344437756 1179432862 /nfs/dbraw/zinc/43/28/62/1179432862.db2.gz JANMFPYTEUAZDB-DEYYWGMASA-N 1 0 318.461 3.341 20 10 DGCDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001346845635 1179755021 /nfs/dbraw/zinc/75/50/21/1179755021.db2.gz BJKOJDDYILSWLK-NRJQMVOHSA-N 1 0 320.502 3.066 20 10 DGCDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC001351329752 1180199858 /nfs/dbraw/zinc/19/98/58/1180199858.db2.gz HYIVTWYRPYSCET-HZMBPMFUSA-N 1 0 314.223 3.059 20 10 DGCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Br)CCS1 ZINC001474368854 1181587747 /nfs/dbraw/zinc/58/77/47/1181587747.db2.gz AZWRKVPBWVEQLO-UHFFFAOYSA-N 1 0 316.264 3.482 20 10 DGCDRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001459531736 1182592359 /nfs/dbraw/zinc/59/23/59/1182592359.db2.gz MDUTVUNROMXPQN-QGZVFWFLSA-N 1 0 317.477 3.023 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1F ZINC001460994174 1182753712 /nfs/dbraw/zinc/75/37/12/1182753712.db2.gz FWZQBNOMCWOUFP-LJQANCHMSA-N 1 0 315.436 3.284 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCCC[C@@H]1C ZINC001461048764 1182761279 /nfs/dbraw/zinc/76/12/79/1182761279.db2.gz RTSOMCNFTJTJCJ-HOTGVXAUSA-N 1 0 302.462 3.364 20 10 DGCDRO CCCC[NH+]1CCC(NCc2ccc3c(c2)CCCO3)CC1 ZINC001461113845 1182769174 /nfs/dbraw/zinc/76/91/74/1182769174.db2.gz LQBWTXITWPAHER-UHFFFAOYSA-N 1 0 302.462 3.366 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]CC3(C)CCCC3)cc2F)CC1 ZINC001461179953 1182778188 /nfs/dbraw/zinc/77/81/88/1182778188.db2.gz HVMNZNRFXYAOQW-UHFFFAOYSA-N 1 0 319.468 3.247 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC001461181885 1182779210 /nfs/dbraw/zinc/77/92/10/1182779210.db2.gz ACGPZPXKGSERKW-QWNKOJSDSA-N 1 0 308.425 3.359 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001461682059 1182841533 /nfs/dbraw/zinc/84/15/33/1182841533.db2.gz IIJJXTJCPLCRDG-MQIPJXDCSA-N 1 0 307.434 3.354 20 10 DGCDRO CCC[C@H](C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461729860 1182848394 /nfs/dbraw/zinc/84/83/94/1182848394.db2.gz SDFCCZLWPLHFAW-INIZCTEOSA-N 1 0 321.484 3.493 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCC1 ZINC001461790562 1182855405 /nfs/dbraw/zinc/85/54/05/1182855405.db2.gz ZODKTLNDLUYKQK-UHFFFAOYSA-N 1 0 317.429 3.225 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCOCC13CCCC3)CCCO2 ZINC001461823292 1182861601 /nfs/dbraw/zinc/86/16/01/1182861601.db2.gz WOMIWDDCYMMWTE-GOSISDBHSA-N 1 0 301.430 3.451 20 10 DGCDRO CC1(C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)OCCO1 ZINC001461963416 1182884420 /nfs/dbraw/zinc/88/44/20/1182884420.db2.gz HIPRQFCJJJWHPJ-UHFFFAOYSA-N 1 0 311.809 3.021 20 10 DGCDRO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001462483177 1182959825 /nfs/dbraw/zinc/95/98/25/1182959825.db2.gz RELXVTTXCCTBMO-QGZVFWFLSA-N 1 0 300.377 3.242 20 10 DGCDRO COc1cc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)ccn1 ZINC001474230096 1183886760 /nfs/dbraw/zinc/88/67/60/1183886760.db2.gz JBFLTAIYXHDBQY-SNAWJCMRSA-N 1 0 311.429 3.002 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1c(O)cc(C)cc1Cl)C1CC1 ZINC001474379227 1183912490 /nfs/dbraw/zinc/91/24/90/1183912490.db2.gz RNOUHWYCLGMSRG-UHFFFAOYSA-N 1 0 311.809 3.272 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC001474438543 1183922494 /nfs/dbraw/zinc/92/24/94/1183922494.db2.gz INFYAHJIFOZTFE-MRXNPFEDSA-N 1 0 305.805 3.129 20 10 DGCDRO Cc1ccc(C[N@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001474511700 1183933965 /nfs/dbraw/zinc/93/39/65/1183933965.db2.gz OHSAOICQSDZUFX-IBGZPJMESA-N 1 0 310.441 3.059 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)C2)cc1 ZINC001474624300 1183951348 /nfs/dbraw/zinc/95/13/48/1183951348.db2.gz PPKJQEAVTZGGNN-STEAMIEHSA-N 1 0 300.446 3.442 20 10 DGCDRO C[C@@H]1CC[C@](CO)([NH2+]Cc2cc(F)ccc2O)c2ccccc21 ZINC001474757745 1183973987 /nfs/dbraw/zinc/97/39/87/1183973987.db2.gz ZGEULSRFLJPTMP-BFUOFWGJSA-N 1 0 315.388 3.406 20 10 DGCDRO C[C@@H](NC(=O)[C@H](C[NH3+])C1CCCCCC1)c1ccccc1O ZINC001522341583 1187077291 /nfs/dbraw/zinc/07/72/91/1187077291.db2.gz HBSWUTZOJOUCIY-CZUORRHYSA-N 1 0 304.434 3.115 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001542371046 1188283066 /nfs/dbraw/zinc/28/30/66/1188283066.db2.gz OYJXFFVQXNNSMB-UHFFFAOYSA-N 1 0 319.493 3.079 20 10 DGCDRO CC[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[NH+](C)C ZINC001557887151 1189091119 /nfs/dbraw/zinc/09/11/19/1189091119.db2.gz DVIYNKBBQAUHNK-GOSISDBHSA-N 1 0 313.445 3.051 20 10 DGCDRO COc1ccc(N(CCC(C)C)CCN2CCOC[C@H]2C)cc1 ZINC001559810095 1189243670 /nfs/dbraw/zinc/24/36/70/1189243670.db2.gz YYOBFFWITITUIX-QGZVFWFLSA-N 1 0 320.477 3.268 20 10 DGCDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1O ZINC001560075183 1189274794 /nfs/dbraw/zinc/27/47/94/1189274794.db2.gz VPMQWVLZIYUJML-JTQLQIEISA-N 1 0 313.313 3.292 20 10 DGCDRO CN(c1ccc(C[NH2+]Cc2ccnn2C)cc1)C1CCCCC1 ZINC001560297685 1189307050 /nfs/dbraw/zinc/30/70/50/1189307050.db2.gz LNRMRWFYSLYMMO-UHFFFAOYSA-N 1 0 312.461 3.479 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)cc1C ZINC001560392768 1189323246 /nfs/dbraw/zinc/32/32/46/1189323246.db2.gz AHGFAQXJBQWSBB-QGZVFWFLSA-N 1 0 317.429 3.318 20 10 DGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001560427947 1189327617 /nfs/dbraw/zinc/32/76/17/1189327617.db2.gz VJUUSHZXWIHQIG-SFHVURJKSA-N 1 0 304.478 3.420 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)C2)cc1Cn1cccn1 ZINC001560459989 1189330239 /nfs/dbraw/zinc/33/02/39/1189330239.db2.gz DIHRLWBRCMAHJW-CVEARBPZSA-N 1 0 313.445 3.466 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001560470173 1189331405 /nfs/dbraw/zinc/33/14/05/1189331405.db2.gz REIIFOKMDDCTQJ-IBGZPJMESA-N 1 0 311.425 3.397 20 10 DGCDRO COCC[N@H+](Cc1cc(F)c(N(C)C)cc1F)C1CCCC1 ZINC001560630427 1189352860 /nfs/dbraw/zinc/35/28/60/1189352860.db2.gz WGSNHBDFDOVBMR-UHFFFAOYSA-N 1 0 312.404 3.422 20 10 DGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560685807 1189360713 /nfs/dbraw/zinc/36/07/13/1189360713.db2.gz ICVVGIKQQSPDSL-CYBMUJFWSA-N 1 0 324.852 3.174 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H](C)c2nc(C)cs2)c(O)c1 ZINC001560737437 1189370774 /nfs/dbraw/zinc/37/07/74/1189370774.db2.gz AZYUETYUXISCAT-NSHDSACASA-N 1 0 306.431 3.367 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(F)c1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560749248 1189373889 /nfs/dbraw/zinc/37/38/89/1189373889.db2.gz DHFXHZRXYPNANJ-HIFRSBDPSA-N 1 0 306.425 3.274 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c1O ZINC001560907142 1189403530 /nfs/dbraw/zinc/40/35/30/1189403530.db2.gz BSUZQBYQJCQTIY-HNNXBMFYSA-N 1 0 323.433 3.165 20 10 DGCDRO CCC(CC)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001571377092 1191006820 /nfs/dbraw/zinc/00/68/20/1191006820.db2.gz FFYRQABVWBDDNC-OAHLLOKOSA-N 1 0 320.477 3.376 20 10 DGCDRO CC(C)(C)c1cnc(SC[C@@H]2C[C@]3(CC[NH2+]C3)CO2)s1 ZINC001575277295 1191472937 /nfs/dbraw/zinc/47/29/37/1191472937.db2.gz NEWLTNKUKYJGFB-NHYWBVRUSA-N 1 0 312.504 3.301 20 10 DGCDRO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001621097165 1193801134 /nfs/dbraw/zinc/80/11/34/1193801134.db2.gz SKRDEPYHYBNZNM-AWEZNQCLSA-N 1 0 313.436 3.097 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(-c3ccccn3)n[nH]2)cc1 ZINC001621112503 1193805074 /nfs/dbraw/zinc/80/50/74/1193805074.db2.gz UNYNKNZXDQOHHQ-UHFFFAOYSA-N 1 0 321.428 3.170 20 10 DGCDRO CC[C@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001621135150 1193807151 /nfs/dbraw/zinc/80/71/51/1193807151.db2.gz GJUGWQAGYRUXEO-LBPRGKRZSA-N 1 0 318.392 3.336 20 10 DGCDRO CCCCNC(=O)C1([NH2+]Cc2ccc(C)cc2O)CCCCC1 ZINC001621264949 1193824550 /nfs/dbraw/zinc/82/45/50/1193824550.db2.gz YBDJMVNLYBQRQN-UHFFFAOYSA-N 1 0 318.461 3.409 20 10 DGCDRO COC(=O)[C@H](C[NH2+]Cc1ccc2ccccc2c1O)CC(C)C ZINC001621367633 1193834082 /nfs/dbraw/zinc/83/40/82/1193834082.db2.gz KZCQIHJRSONNIV-INIZCTEOSA-N 1 0 315.413 3.470 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC001621395442 1193837912 /nfs/dbraw/zinc/83/79/12/1193837912.db2.gz BDUXNHCOTUHANW-INIZCTEOSA-N 1 0 311.809 3.129 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC001621405275 1193838742 /nfs/dbraw/zinc/83/87/42/1193838742.db2.gz NYXZCOJNIKBZKX-NRFANRHFSA-N 1 0 324.468 3.327 20 10 DGCDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cc(C(C)C)ccc2O)C1 ZINC001621513028 1193851827 /nfs/dbraw/zinc/85/18/27/1193851827.db2.gz BAIIBSGXZIELNZ-ZDUSSCGKSA-N 1 0 305.418 3.147 20 10 DGCDRO CCc1cccc(C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c1O ZINC001621521768 1193853791 /nfs/dbraw/zinc/85/37/91/1193853791.db2.gz JQPFFYXTWFVBHG-PZJWPPBQSA-N 1 0 323.436 3.355 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1C[C@H]1C1CC1 ZINC001621557918 1193858375 /nfs/dbraw/zinc/85/83/75/1193858375.db2.gz XIEOLCNLLNHGBF-DSYPUSFNSA-N 1 0 315.505 3.380 20 10 DGCDRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC001633315057 1194431132 /nfs/dbraw/zinc/43/11/32/1194431132.db2.gz CXUDOHRQHCJUML-WBVHZDCISA-N 1 0 317.477 3.052 20 10 DGCDRO COc1cc(C[NH2+]CCN2CCC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001647036523 1195243060 /nfs/dbraw/zinc/24/30/60/1195243060.db2.gz ZYQJAACRSDHQOB-CQSZACIVSA-N 1 0 320.477 3.272 20 10 DGCDRO CC[NH+](CC)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001648611982 1195314098 /nfs/dbraw/zinc/31/40/98/1195314098.db2.gz SGRNGOMFWLKSPG-UHFFFAOYSA-N 1 0 313.445 3.052 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1C ZINC001650546194 1195362937 /nfs/dbraw/zinc/36/29/37/1195362937.db2.gz ULPLGUIVZAUZOI-ZDUSSCGKSA-N 1 0 301.434 3.075 20 10 DGCDRO CC(C)C1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001650645934 1195368360 /nfs/dbraw/zinc/36/83/60/1195368360.db2.gz WNMCDCJRAIMFSG-UHFFFAOYSA-N 1 0 319.468 3.103 20 10 DGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001651194725 1195425482 /nfs/dbraw/zinc/42/54/82/1195425482.db2.gz WDVMMBNDQYUNGB-HIFRSBDPSA-N 1 0 324.415 3.470 20 10 DGCDRO Oc1ccc(Cl)cc1CNc1cc[nH+]cc1C(F)(F)F ZINC001651218948 1195428327 /nfs/dbraw/zinc/42/83/27/1195428327.db2.gz DQZOZLZZPHGCLK-UHFFFAOYSA-N 1 0 302.683 3.493 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]CCCC3CCC3)cc2F)CC1 ZINC001651339590 1195446199 /nfs/dbraw/zinc/44/61/99/1195446199.db2.gz DBZPIWAQBWRHMH-UHFFFAOYSA-N 1 0 319.468 3.247 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@]3(C)CCCCO3)CC2)cc1 ZINC001651794438 1195509648 /nfs/dbraw/zinc/50/96/48/1195509648.db2.gz ORLSHEIENZHIJG-IBGZPJMESA-N 1 0 318.461 3.167 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC001651799530 1195511267 /nfs/dbraw/zinc/51/12/67/1195511267.db2.gz ACULMRQAQHTPAF-NVXWUHKLSA-N 1 0 307.459 3.222 20 10 DGCDRO CCOC(=O)N1CCC[N@H+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001651929655 1195525623 /nfs/dbraw/zinc/52/56/23/1195525623.db2.gz RBHVVVDHHLDRGR-UHFFFAOYSA-N 1 0 320.433 3.180 20 10 DGCDRO CN(C)c1cc(F)c(CN2CC[NH+](C3CCCC3)CC2)cc1F ZINC001652098507 1195547135 /nfs/dbraw/zinc/54/71/35/1195547135.db2.gz QHISXTFLVUELRZ-UHFFFAOYSA-N 1 0 323.431 3.091 20 10 DGCDRO CCc1cccc(C[NH2+]CC2(C(=O)OC)CCCCC2)c1O ZINC001652178833 1195558939 /nfs/dbraw/zinc/55/89/39/1195558939.db2.gz ACMRRORNQRTLFC-UHFFFAOYSA-N 1 0 305.418 3.168 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc3ccccc3n2)c1 ZINC001652404446 1195593475 /nfs/dbraw/zinc/59/34/75/1195593475.db2.gz PKOUZGBGNGUJQF-LBPRGKRZSA-N 1 0 309.369 3.195 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCOCC23CCCCC3)c1O ZINC001652471445 1195602551 /nfs/dbraw/zinc/60/25/51/1195602551.db2.gz FQOCCSPYJNVKPA-UHFFFAOYSA-N 1 0 305.418 3.244 20 10 DGCDRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001652605547 1195624935 /nfs/dbraw/zinc/62/49/35/1195624935.db2.gz SQKUYCZDECOBLZ-HXUWFJFHSA-N 1 0 309.818 3.073 20 10 DGCDRO O=c1[nH]c2cccc(C[NH2+]Cc3cc(Cl)ccc3O)c2o1 ZINC001652759369 1195647757 /nfs/dbraw/zinc/64/77/57/1195647757.db2.gz KJRRBSYYXDAHQG-UHFFFAOYSA-N 1 0 304.733 3.182 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2Cc3ccccc3NC2=O)cc1Cl ZINC001652943228 1195672940 /nfs/dbraw/zinc/67/29/40/1195672940.db2.gz LFNYYCAGGGFKKY-HNNXBMFYSA-N 1 0 316.788 3.007 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2COc3c(F)cc(F)cc3C2)c1O ZINC001653239025 1195702412 /nfs/dbraw/zinc/70/24/12/1195702412.db2.gz WCHOYKSDDUKRRH-HNNXBMFYSA-N 1 0 319.351 3.326 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC001655206085 1195890260 /nfs/dbraw/zinc/89/02/60/1195890260.db2.gz OTBJHNHMKYTQBE-UHFFFAOYSA-N 1 0 312.461 3.450 20 10 DGCDRO C[C@H](CN1CCCCC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001655259510 1195896556 /nfs/dbraw/zinc/89/65/56/1195896556.db2.gz LNOMCKMSVFUHOJ-ZPUOCTKUSA-N 1 0 301.478 3.230 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC(C)(C)C)cc1 ZINC001655658428 1195946157 /nfs/dbraw/zinc/94/61/57/1195946157.db2.gz CNAZMVMSDPQFTN-KRWDZBQOSA-N 1 0 317.477 3.022 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(C)CCCS2)cc1F ZINC001655906896 1195976107 /nfs/dbraw/zinc/97/61/07/1195976107.db2.gz ZDFMXDVOCVGUBW-HNNXBMFYSA-N 1 0 300.418 3.406 20 10 DGCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001656142365 1196009559 /nfs/dbraw/zinc/00/95/59/1196009559.db2.gz GMLWKSITEDJGNT-LJQANCHMSA-N 1 0 311.425 3.452 20 10 DGCDRO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001656198690 1196016731 /nfs/dbraw/zinc/01/67/31/1196016731.db2.gz ANAWNHHENSVCBN-VQTJNVASSA-N 1 0 308.425 3.035 20 10 DGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001656618344 1196055616 /nfs/dbraw/zinc/05/56/16/1196055616.db2.gz XADAYLKTUQAYRH-CQSZACIVSA-N 1 0 312.404 3.326 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC3(CCC3)O2)cc1F ZINC001656844370 1196075192 /nfs/dbraw/zinc/07/51/92/1196075192.db2.gz DGZWRDFGRZGYSP-CYBMUJFWSA-N 1 0 310.388 3.222 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC001657056225 1196097968 /nfs/dbraw/zinc/09/79/68/1196097968.db2.gz NNSADDRUORZNGA-CZHQAMEJSA-N 1 0 300.446 3.313 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2CC(OC)(OC)C2)cc1 ZINC001657152527 1196111303 /nfs/dbraw/zinc/11/13/03/1196111303.db2.gz PNEUITBHYPVEGO-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657204391 1196118021 /nfs/dbraw/zinc/11/80/21/1196118021.db2.gz PDJHDRPRTJWARJ-BEFAXECRSA-N 1 0 311.425 3.266 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)CCC(=O)OC(C)(C)C)cc1 ZINC001657220904 1196119572 /nfs/dbraw/zinc/11/95/72/1196119572.db2.gz PQTILBDWPDFYBM-FPLPWBNLSA-N 1 0 318.461 3.429 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)ccc1OC ZINC001657371824 1196134612 /nfs/dbraw/zinc/13/46/12/1196134612.db2.gz FWPYMGFFCJICOV-RBUKOAKNSA-N 1 0 321.461 3.263 20 10 DGCDRO C[Si](C)(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001657469270 1196146069 /nfs/dbraw/zinc/14/60/69/1196146069.db2.gz CSBGQEFMZFGGIL-UHFFFAOYSA-N 1 0 311.501 3.457 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1C ZINC001657510201 1196149689 /nfs/dbraw/zinc/14/96/89/1196149689.db2.gz YDHBFDRDBDZGGW-CRAIPNDOSA-N 1 0 302.462 3.356 20 10 DGCDRO CCOCc1cc(C[NH2+]CC(C)(C)[C@@H](O)C(C)C)ccc1OC ZINC001657721432 1196171946 /nfs/dbraw/zinc/17/19/46/1196171946.db2.gz DXEFZNHIHVTCDQ-SFHVURJKSA-N 1 0 323.477 3.364 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)OCC)C2)cc1C ZINC001657819090 1196180722 /nfs/dbraw/zinc/18/07/22/1196180722.db2.gz IKMCBHQVWVRBFU-MRXNPFEDSA-N 1 0 320.433 3.104 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)cc1C ZINC001657829752 1196182012 /nfs/dbraw/zinc/18/20/12/1196182012.db2.gz CSNNPZRCODDNFM-GASCZTMLSA-N 1 0 305.418 3.214 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(C(C)C)ccc2O)o1 ZINC001658009948 1196201930 /nfs/dbraw/zinc/20/19/30/1196201930.db2.gz AVENYXKYABJWDR-UHFFFAOYSA-N 1 0 303.358 3.185 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[Si](C)(C)c2ccccc2)c1 ZINC001658023565 1196202740 /nfs/dbraw/zinc/20/27/40/1196202740.db2.gz LKZWNDJSFJUQIX-CQSZACIVSA-N 1 0 315.489 3.206 20 10 DGCDRO OC[C@@]1(C[NH2+]Cc2ccc(Cl)cc2O)C[C@H]1c1ccccc1 ZINC001658225628 1196227904 /nfs/dbraw/zinc/22/79/04/1196227904.db2.gz DDTYOACOXHGBMC-WMZOPIPTSA-N 1 0 317.816 3.301 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1O ZINC001658399398 1196252158 /nfs/dbraw/zinc/25/21/58/1196252158.db2.gz SUAVGMFPWRZCGP-FUHWJXTLSA-N 1 0 301.361 3.436 20 10 DGCDRO C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC001658777797 1196299346 /nfs/dbraw/zinc/29/93/46/1196299346.db2.gz IZBMUWBGERSACK-WFBYXXMGSA-N 1 0 315.244 3.129 20 10 DGCDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001658929043 1196321590 /nfs/dbraw/zinc/32/15/90/1196321590.db2.gz DQFDSBGCWDKYJY-GFCCVEGCSA-N 1 0 305.809 3.159 20 10 DGCDRO COC(=O)CCC1([NH2+]Cc2ccc(C)cc2O)CCCCC1 ZINC001658967191 1196325562 /nfs/dbraw/zinc/32/55/62/1196325562.db2.gz WLROMEFKDBXAOI-UHFFFAOYSA-N 1 0 305.418 3.446 20 10 DGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(Cl)cc1O ZINC001659193024 1196357355 /nfs/dbraw/zinc/35/73/55/1196357355.db2.gz APJUDLUMQJHTNR-UHFFFAOYSA-N 1 0 322.748 3.252 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC001659414460 1196381216 /nfs/dbraw/zinc/38/12/16/1196381216.db2.gz KDGUMPVKRCFGGG-HNNXBMFYSA-N 1 0 320.477 3.471 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC001659487314 1196387672 /nfs/dbraw/zinc/38/76/72/1196387672.db2.gz AOIFEJCWIOQQJK-KRWDZBQOSA-N 1 0 319.445 3.333 20 10 DGCDRO CC(C)([NH2+]Cc1cc(F)c(F)cc1[O-])[C@H](O)c1ccccc1 ZINC001659902019 1196426636 /nfs/dbraw/zinc/42/66/36/1196426636.db2.gz KKDKAUYQTFBPFE-MRXNPFEDSA-N 1 0 307.340 3.272 20 10 DGCDRO CCOC(OCC)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001660275427 1196465298 /nfs/dbraw/zinc/46/52/98/1196465298.db2.gz KLWDHSGAHXUBJU-NSHDSACASA-N 1 0 301.814 3.231 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c1O ZINC001660289264 1196467033 /nfs/dbraw/zinc/46/70/33/1196467033.db2.gz IZQONMHFXNUXBM-SFHVURJKSA-N 1 0 302.462 3.451 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC001660570911 1196498123 /nfs/dbraw/zinc/49/81/23/1196498123.db2.gz SITTUGYXQQKOFQ-QGZVFWFLSA-N 1 0 311.360 3.259 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]CCOC(F)(F)C(F)(F)F ZINC001660643275 1196508069 /nfs/dbraw/zinc/50/80/69/1196508069.db2.gz LXKOTIHKUUBTEI-UHFFFAOYSA-N 1 0 319.657 3.307 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1 ZINC001661396927 1196602144 /nfs/dbraw/zinc/60/21/44/1196602144.db2.gz KTLZJWWNCVAWKX-INIZCTEOSA-N 1 0 323.440 3.404 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@@H](C4)C3)C2)cc1 ZINC001662841137 1196759659 /nfs/dbraw/zinc/75/96/59/1196759659.db2.gz BKXSPHDZFLBKBQ-YYIAUSFCSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(C[NH2+]CCCc2ccc(F)c(F)c2)c(O)c1 ZINC001664450159 1197000249 /nfs/dbraw/zinc/00/02/49/1197000249.db2.gz BCSGSHBMLVCPCY-UHFFFAOYSA-N 1 0 307.340 3.401 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@]2(C)CCCCO2)cc1 ZINC001665163801 1197103815 /nfs/dbraw/zinc/10/38/15/1197103815.db2.gz DOKBYSXUOKEJMB-GOSISDBHSA-N 1 0 306.450 3.022 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@]2(C)CCCS2)cc1 ZINC001665163847 1197104139 /nfs/dbraw/zinc/10/41/39/1197104139.db2.gz GAAWRQRTHFKSDI-QGZVFWFLSA-N 1 0 308.491 3.349 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC001665293603 1197119727 /nfs/dbraw/zinc/11/97/27/1197119727.db2.gz LUMYMNSBGWJIGO-OAQYLSRUSA-N 1 0 323.484 3.425 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001665312956 1197121327 /nfs/dbraw/zinc/12/13/27/1197121327.db2.gz SFXORUWOONJQQG-CYBMUJFWSA-N 1 0 308.422 3.046 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2(C)CC2)cc1C ZINC001675903707 1198170745 /nfs/dbraw/zinc/17/07/45/1198170745.db2.gz ODNSXEBYWHJDCQ-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCOC[C@H]1CCCO1 ZINC000319812236 1199841101 /nfs/dbraw/zinc/84/11/01/1199841101.db2.gz KTSCSRVAAOAEKE-BZUAXINKSA-N 1 0 319.445 3.424 20 10 DGCDRO CC[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001690143638 1200420463 /nfs/dbraw/zinc/42/04/63/1200420463.db2.gz YFLLBGCUCVVZOZ-CXAGYDPISA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCC(C)C)cc1C ZINC001698814222 1201458426 /nfs/dbraw/zinc/45/84/26/1201458426.db2.gz OJZHDPXKEMPZGH-INIZCTEOSA-N 1 0 320.477 3.376 20 10 DGCDRO CC/C=C(\C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001752619702 1201879121 /nfs/dbraw/zinc/87/91/21/1201879121.db2.gz MCPMWMRPCAZLRG-PVKFYKOYSA-N 1 0 316.445 3.097 20 10 DGCDRO CC/C(C)=C\C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753612513 1202299915 /nfs/dbraw/zinc/29/99/15/1202299915.db2.gz HFYCVRHJDPRZOV-MZLJFPOFSA-N 1 0 318.461 3.202 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCNC(=O)OC(C)(C)C ZINC000230660221 1202598631 /nfs/dbraw/zinc/59/86/31/1202598631.db2.gz LKXOVHJNZNNSKR-QWHCGFSZSA-N 1 0 320.433 3.363 20 10 DGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)C2CCCCC2)cc1C ZINC001713569393 1202671855 /nfs/dbraw/zinc/67/18/55/1202671855.db2.gz RUAVPHPIKXJUKJ-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO CCC1(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001713623452 1202673753 /nfs/dbraw/zinc/67/37/53/1202673753.db2.gz GLYIHTGJMCETPU-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO CCC1(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001714486117 1202957978 /nfs/dbraw/zinc/95/79/78/1202957978.db2.gz DYFGFMXPTBHYMJ-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CC/C(C)=C/C(=O)NC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715055390 1203257303 /nfs/dbraw/zinc/25/73/03/1203257303.db2.gz GNZZULAUCGTKBO-SHRNQRGKSA-N 1 0 318.461 3.344 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001716677538 1203523226 /nfs/dbraw/zinc/52/32/26/1203523226.db2.gz BEYMEXDJYWXDOI-CQSZACIVSA-N 1 0 318.461 3.178 20 10 DGCDRO CCC(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001725731238 1204203002 /nfs/dbraw/zinc/20/30/02/1204203002.db2.gz BCFJOFOVTTUFCD-INIZCTEOSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)CC(C)C)C2)cc1C ZINC001734589079 1205402001 /nfs/dbraw/zinc/40/20/01/1205402001.db2.gz IPTJDEFMGDMFDD-UHFFFAOYSA-N 1 0 318.461 3.129 20 10 DGCDRO CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001595749691 982427678 /nfs/dbraw/zinc/42/76/78/982427678.db2.gz UAFLKLJTRQRVNX-ZDUSSCGKSA-N 1 0 320.433 3.006 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCCOC2)c1O ZINC000401590407 1091528809 /nfs/dbraw/zinc/52/88/09/1091528809.db2.gz WKZLWYSNJCYXLC-CYBMUJFWSA-N 1 0 314.223 3.074 20 10 DGCDRO CCN(CC)C(=O)C[C@@H](C)[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001169487777 1081580901 /nfs/dbraw/zinc/58/09/01/1081580901.db2.gz VNCYXGPFRVRONY-MRXNPFEDSA-N 1 0 319.493 3.222 20 10 DGCDRO COCCOc1ccc(N2CC[NH+](CCCC(C)C)CC2)cc1 ZINC001208736058 1081645649 /nfs/dbraw/zinc/64/56/49/1081645649.db2.gz AOCOBHHYAIYHIY-UHFFFAOYSA-N 1 0 320.477 3.270 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCCC2(C1)OCCO2 ZINC001169961233 1081685059 /nfs/dbraw/zinc/68/50/59/1081685059.db2.gz IXNBYHNHDPGKAU-SFHVURJKSA-N 1 0 318.461 3.260 20 10 DGCDRO C[C@@H]1C[C@H]1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001209428130 1081745781 /nfs/dbraw/zinc/74/57/81/1081745781.db2.gz RHBVQYRIUVZJPM-OLZOCXBDSA-N 1 0 314.351 3.363 20 10 DGCDRO CSC1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691468484 1081858395 /nfs/dbraw/zinc/85/83/95/1081858395.db2.gz UGWSBRFLNVRQCL-UHFFFAOYSA-N 1 0 302.237 3.140 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](CC)NC(=O)OC(C)(C)C)c1O ZINC000691507969 1081955339 /nfs/dbraw/zinc/95/53/39/1081955339.db2.gz FUUVOWIJKNGQIJ-OAHLLOKOSA-N 1 0 322.449 3.348 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000691522005 1081958998 /nfs/dbraw/zinc/95/89/98/1081958998.db2.gz JOVAIUAMLONVQO-CHWSQXEVSA-N 1 0 322.449 3.346 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)c(OC)c1 ZINC001170159246 1082267917 /nfs/dbraw/zinc/26/79/17/1082267917.db2.gz RWZNJZKMXYEWNG-HUUCEWRRSA-N 1 0 304.434 3.014 20 10 DGCDRO Cc1nnc(C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)o1 ZINC001140464868 1082271101 /nfs/dbraw/zinc/27/11/01/1082271101.db2.gz DFCYQQLABDVKTJ-UHFFFAOYSA-N 1 0 307.781 3.117 20 10 DGCDRO C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001648913702 1082319559 /nfs/dbraw/zinc/31/95/59/1082319559.db2.gz DXJNRWSOUCOLJI-JKSUJKDBSA-N 1 0 302.462 3.222 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)/C=C/C(C)(C)C)cc1C ZINC001266927651 1082347508 /nfs/dbraw/zinc/34/75/08/1082347508.db2.gz LBORRIGHDDNLEH-BOLDSZDNSA-N 1 0 318.461 3.200 20 10 DGCDRO CCC[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001267008029 1082427072 /nfs/dbraw/zinc/42/70/72/1082427072.db2.gz YRJKGKWLEITVPN-PBHICJAKSA-N 1 0 318.461 3.130 20 10 DGCDRO CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133508831 1083140318 /nfs/dbraw/zinc/14/03/18/1083140318.db2.gz PQDLPONMYCZPIO-CABCVRRESA-N 1 0 306.450 3.177 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(O)c1 ZINC001181089984 1083401521 /nfs/dbraw/zinc/40/15/21/1083401521.db2.gz WSTGTLXILSALDG-OAHLLOKOSA-N 1 0 305.418 3.100 20 10 DGCDRO C[C@H](C[NH2+]Cc1cc(Br)ccc1O)c1ccccn1 ZINC000692675430 1083425602 /nfs/dbraw/zinc/42/56/02/1083425602.db2.gz RMMBGMNEAPDQEF-LLVKDONJSA-N 1 0 321.218 3.443 20 10 DGCDRO CC[C@H](CO)[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001182098024 1083626515 /nfs/dbraw/zinc/62/65/15/1083626515.db2.gz CTXOSCASEFBFQX-HXUWFJFHSA-N 1 0 324.468 3.452 20 10 DGCDRO FC1(F)CO[C@]2(CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001204328127 1083659959 /nfs/dbraw/zinc/65/99/59/1083659959.db2.gz CIQIPISZJNOGAL-QGZVFWFLSA-N 1 0 322.399 3.287 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2noc3cc(F)ccc23)c1O ZINC001183483620 1083956297 /nfs/dbraw/zinc/95/62/97/1083956297.db2.gz ZHDUDVDHMJEKTF-UHFFFAOYSA-N 1 0 316.332 3.279 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1O ZINC001203602377 1084290862 /nfs/dbraw/zinc/29/08/62/1084290862.db2.gz RNLONMVXEVXVKH-LSDHHAIUSA-N 1 0 303.402 3.125 20 10 DGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001203635967 1084630752 /nfs/dbraw/zinc/63/07/52/1084630752.db2.gz LIBCEFHRULRLNV-LBPRGKRZSA-N 1 0 302.187 3.479 20 10 DGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001648951606 1084904206 /nfs/dbraw/zinc/90/42/06/1084904206.db2.gz ZLNUTPPGGBYERJ-MJGOQNOKSA-N 1 0 302.462 3.362 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(Cl)cc2O)cc1C ZINC001560873103 1126214356 /nfs/dbraw/zinc/21/43/56/1126214356.db2.gz FKCGAASRBALASV-QGZVFWFLSA-N 1 0 319.832 3.356 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC001657116483 1126259187 /nfs/dbraw/zinc/25/91/87/1126259187.db2.gz NYBRJWHYBUTHDP-WOJBJXKFSA-N 1 0 310.441 3.281 20 10 DGCDRO CCc1cccc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)c1O ZINC001660397735 1126264953 /nfs/dbraw/zinc/26/49/53/1126264953.db2.gz LVOUJFOCVIMDFD-IBGZPJMESA-N 1 0 317.404 3.177 20 10 DGCDRO CCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001088242790 1086711332 /nfs/dbraw/zinc/71/13/32/1086711332.db2.gz GRESUBMFFDLATJ-QGZVFWFLSA-N 1 0 318.461 3.274 20 10 DGCDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccccc1O ZINC000697891558 1087373363 /nfs/dbraw/zinc/37/33/63/1087373363.db2.gz ZAIHLIVYAPNTIU-OLZOCXBDSA-N 1 0 308.422 3.204 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCCC12CC[NH2+]CC2 ZINC001235144603 1088227883 /nfs/dbraw/zinc/22/78/83/1088227883.db2.gz NANKCCYQGPZLSP-UHFFFAOYSA-N 1 0 315.244 3.417 20 10 DGCDRO O=C1c2ccccc2C(=O)c2c(NC3=CCC[NH2+]CC3)cccc21 ZINC001159438088 1088350578 /nfs/dbraw/zinc/35/05/78/1088350578.db2.gz FWXZSHMLVCPONO-UHFFFAOYSA-N 1 0 318.376 3.141 20 10 DGCDRO c1cc2c(c(Nc3ccc4c(c3)CCCN4)c1)[C@H]1C[NH2+]C[C@@H]1O2 ZINC001160394499 1088779138 /nfs/dbraw/zinc/77/91/38/1088779138.db2.gz JRDDGJMWZPEODK-KSSFIOAISA-N 1 0 307.397 3.236 20 10 DGCDRO CCN(Cc1ccccc1O)c1ncc(C)c(N2CCCC2)n1 ZINC001154882362 1088807789 /nfs/dbraw/zinc/80/77/89/1088807789.db2.gz UVNVCGSAAJEGOJ-UHFFFAOYSA-N 1 0 312.417 3.117 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)C2CCC2)cc1C ZINC001160786052 1088961611 /nfs/dbraw/zinc/96/16/11/1088961611.db2.gz KQKZFTHOEFRFOH-OAHLLOKOSA-N 1 0 318.461 3.036 20 10 DGCDRO C[C@@H]1CN(C(=O)c2ccccc2NN=C2C=CC(=O)C=C2)CC[NH2+]1 ZINC001161024005 1089083934 /nfs/dbraw/zinc/08/39/34/1089083934.db2.gz YAFZURJGDYVZSQ-NOFRPNMFSA-N 1 0 324.384 3.242 20 10 DGCDRO CC(C)N(Cc1c(O)ccc(Cl)c1Cl)[C@H]1CC[NH2+]C1 ZINC001236525231 1089273452 /nfs/dbraw/zinc/27/34/52/1089273452.db2.gz ADMDTFPWWDHUCB-JTQLQIEISA-N 1 0 303.233 3.271 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246205641 1089835205 /nfs/dbraw/zinc/83/52/05/1089835205.db2.gz BJYYYHBNPXDUSD-SUMWQHHRSA-N 1 0 319.445 3.396 20 10 DGCDRO CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485185864 1090011639 /nfs/dbraw/zinc/01/16/39/1090011639.db2.gz AASRBNPYJUGJDM-HUUCEWRRSA-N 1 0 320.477 3.423 20 10 DGCDRO [NH3+][C@H]1CCN(c2ccc(OCc3ccccc3)c(F)c2F)C1 ZINC001164282399 1090393612 /nfs/dbraw/zinc/39/36/12/1090393612.db2.gz XZJNSALEHGTKJG-ZDUSSCGKSA-N 1 0 304.340 3.081 20 10 DGCDRO CCCc1noc([C@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC001203558660 1090616158 /nfs/dbraw/zinc/61/61/58/1090616158.db2.gz SXDIBKJYAFKFGT-AWEZNQCLSA-N 1 0 301.390 3.107 20 10 DGCDRO Oc1ccccc1C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001203556598 1090755387 /nfs/dbraw/zinc/75/53/87/1090755387.db2.gz VENXCHKLVGLCRJ-HKUYNNGSSA-N 1 0 308.425 3.099 20 10 DGCDRO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccccc1O ZINC001203558714 1090755550 /nfs/dbraw/zinc/75/55/50/1090755550.db2.gz XNCKIOHUVODQFB-OAHLLOKOSA-N 1 0 315.413 3.438 20 10 DGCDRO Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001203558306 1090755571 /nfs/dbraw/zinc/75/55/71/1090755571.db2.gz CNPKKYWGIGAWDE-GASCZTMLSA-N 1 0 317.392 3.422 20 10 DGCDRO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccccc1O ZINC001203561719 1090756928 /nfs/dbraw/zinc/75/69/28/1090756928.db2.gz YJHKDAJWZBXCOC-HIFRSBDPSA-N 1 0 320.433 3.270 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)c1O ZINC001203600238 1090765450 /nfs/dbraw/zinc/76/54/50/1090765450.db2.gz YNOUDSLPVGUWGH-UHFFFAOYSA-N 1 0 323.396 3.219 20 10 DGCDRO COc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)c(O)c1 ZINC001203634532 1090770215 /nfs/dbraw/zinc/77/02/15/1090770215.db2.gz KOSSUPUWHMYWKA-QGZVFWFLSA-N 1 0 305.418 3.182 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001203651293 1090773419 /nfs/dbraw/zinc/77/34/19/1090773419.db2.gz MAERJHSBEVZTJP-UHFFFAOYSA-N 1 0 318.804 3.484 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@]1(O)C(F)(F)F ZINC001203651201 1090773711 /nfs/dbraw/zinc/77/37/11/1090773711.db2.gz KHBHTNAKFFFPOJ-RNCFNFMXSA-N 1 0 323.742 3.181 20 10 DGCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664282 1090775431 /nfs/dbraw/zinc/77/54/31/1090775431.db2.gz VTAJSHXCVRVNIX-LBPRGKRZSA-N 1 0 311.809 3.211 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(N(C)C)cc1 ZINC001203934302 1090842599 /nfs/dbraw/zinc/84/25/99/1090842599.db2.gz PIRQPFRFPQKXJJ-SFHVURJKSA-N 1 0 323.484 3.459 20 10 DGCDRO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203935438 1090842873 /nfs/dbraw/zinc/84/28/73/1090842873.db2.gz HJXRHXMDAKSIQZ-SFHVURJKSA-N 1 0 311.429 3.109 20 10 DGCDRO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203935434 1090843029 /nfs/dbraw/zinc/84/30/29/1090843029.db2.gz HJXRHXMDAKSIQZ-GOSISDBHSA-N 1 0 311.429 3.109 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC)C2CCN(C)CC2)cc1 ZINC001203938741 1090843896 /nfs/dbraw/zinc/84/38/96/1090843896.db2.gz DAJQRFPONYZVLU-UHFFFAOYSA-N 1 0 303.494 3.449 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)cc1 ZINC001203942441 1090845523 /nfs/dbraw/zinc/84/55/23/1090845523.db2.gz QPGZREWXUCDAAD-IYBDPMFKSA-N 1 0 324.415 3.246 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001203942813 1090845946 /nfs/dbraw/zinc/84/59/46/1090845946.db2.gz SBFBZBNHIZORFA-IEBWSBKVSA-N 1 0 301.478 3.059 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)cc1 ZINC001203946855 1090848020 /nfs/dbraw/zinc/84/80/20/1090848020.db2.gz YHACHVVVABBPJI-PKOBYXMFSA-N 1 0 301.478 3.059 20 10 DGCDRO CCN1CCC[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204232693 1090930697 /nfs/dbraw/zinc/93/06/97/1090930697.db2.gz IQPWLGMRQURLNS-UHFFFAOYSA-N 1 0 311.473 3.433 20 10 DGCDRO CCN1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H]1C ZINC001204240920 1090933080 /nfs/dbraw/zinc/93/30/80/1090933080.db2.gz LEHLQQMNYWIEJI-MRXNPFEDSA-N 1 0 311.473 3.432 20 10 DGCDRO COc1cccc([C@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)c1 ZINC001204277630 1090938276 /nfs/dbraw/zinc/93/82/76/1090938276.db2.gz HIPWGBXKEZSMQM-HNNXBMFYSA-N 1 0 313.397 3.486 20 10 DGCDRO Cc1cccc(OC2CC[NH+](Cc3ccc(O)cc3O)CC2)c1 ZINC001204280635 1090938920 /nfs/dbraw/zinc/93/89/20/1090938920.db2.gz LRKVQDOUJMEGNY-UHFFFAOYSA-N 1 0 313.397 3.450 20 10 DGCDRO Oc1ccc(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)c(O)c1 ZINC001204279004 1090939368 /nfs/dbraw/zinc/93/93/68/1090939368.db2.gz NQVRLDDATCZGEW-SFHVURJKSA-N 1 0 313.397 3.279 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@H]1C ZINC001204322532 1090949297 /nfs/dbraw/zinc/94/92/97/1090949297.db2.gz RGIUHNUDSGUDGI-YJBOKZPZSA-N 1 0 316.445 3.060 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@H]1C ZINC001204322531 1090949457 /nfs/dbraw/zinc/94/94/57/1090949457.db2.gz RGIUHNUDSGUDGI-QAPCUYQASA-N 1 0 316.445 3.060 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cc(O)c1O ZINC001204349466 1090953815 /nfs/dbraw/zinc/95/38/15/1090953815.db2.gz TWWMVQOGZDYGLA-OKILXGFUSA-N 1 0 311.381 3.193 20 10 DGCDRO C[NH2+]C[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001205015352 1091084371 /nfs/dbraw/zinc/08/43/71/1091084371.db2.gz BVCOPJLJZXTTSH-JTQLQIEISA-N 1 0 303.233 3.130 20 10 DGCDRO Cc1c(C[NH+]2CCC3(C[C@H]3CCO)CC2)c2ccccc2n1C ZINC001138253040 1091127033 /nfs/dbraw/zinc/12/70/33/1091127033.db2.gz ZRNLVWAGJILIGS-MRXNPFEDSA-N 1 0 312.457 3.471 20 10 DGCDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338346 1091147074 /nfs/dbraw/zinc/14/70/74/1091147074.db2.gz OXCPNINUAJOJAR-DOMZBBRYSA-N 1 0 304.409 3.023 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CCC(n4cccn4)CC3)ccc21 ZINC001138356457 1091150237 /nfs/dbraw/zinc/15/02/37/1091150237.db2.gz OOAOTCCJZKETBQ-UHFFFAOYSA-N 1 0 310.445 3.103 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H](Oc4ccncc4)C3)ccc21 ZINC001138356120 1091150759 /nfs/dbraw/zinc/15/07/59/1091150759.db2.gz IEDBXVXOYDLBLT-IBGZPJMESA-N 1 0 323.440 3.117 20 10 DGCDRO CN1CCCc2cc(CN3CC[C@@H]([NH+]4CCCCC4)C3)ccc21 ZINC001138357144 1091151621 /nfs/dbraw/zinc/15/16/21/1091151621.db2.gz DLPAWUMEDXUSIU-LJQANCHMSA-N 1 0 313.489 3.129 20 10 DGCDRO CC(C)OC1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138358469 1091152795 /nfs/dbraw/zinc/15/27/95/1091152795.db2.gz SNHNWAUXFMMFFM-UHFFFAOYSA-N 1 0 302.462 3.458 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2COC)c(OC)c1 ZINC001138386000 1091161341 /nfs/dbraw/zinc/16/13/41/1091161341.db2.gz DNVSRLWOBCBTPB-KRWDZBQOSA-N 1 0 306.450 3.152 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC001138389941 1091162688 /nfs/dbraw/zinc/16/26/88/1091162688.db2.gz VOXDIADDMFNVQI-GOSISDBHSA-N 1 0 319.493 3.067 20 10 DGCDRO CN(C[C@]1(C)CCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC001205285098 1091163852 /nfs/dbraw/zinc/16/38/52/1091163852.db2.gz XPKBAGMBOBPDOK-KRWDZBQOSA-N 1 0 308.491 3.349 20 10 DGCDRO CCN(CC)c1ccc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC001138390324 1091164881 /nfs/dbraw/zinc/16/48/81/1091164881.db2.gz RIALGOIWAJURNT-IYBDPMFKSA-N 1 0 319.493 3.066 20 10 DGCDRO C[C@]1([NH3+])CCCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001205287912 1091165767 /nfs/dbraw/zinc/16/57/67/1091165767.db2.gz DAEMFOWVXDYGLY-AWEZNQCLSA-N 1 0 303.233 3.402 20 10 DGCDRO C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001205289393 1091167869 /nfs/dbraw/zinc/16/78/69/1091167869.db2.gz XOMKIRDRVNXIHN-CQSZACIVSA-N 1 0 302.340 3.114 20 10 DGCDRO C[C@H]1CCN(Cc2c(O)ccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC001205317340 1091181608 /nfs/dbraw/zinc/18/16/08/1091181608.db2.gz OCKDREFKXYTYBG-VHSXEESVSA-N 1 0 303.233 3.116 20 10 DGCDRO FC1CC2(C1)CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138496465 1091206014 /nfs/dbraw/zinc/20/60/14/1091206014.db2.gz QJLPEBZULSNMDO-UHFFFAOYSA-N 1 0 318.436 3.237 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(O)c1 ZINC001205699811 1091317149 /nfs/dbraw/zinc/31/71/49/1091317149.db2.gz KZXZIJXJODJVQH-HZPDHXFCSA-N 1 0 319.445 3.348 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccc(C(N)=O)cc2)cc1Cl ZINC001205710903 1091319616 /nfs/dbraw/zinc/31/96/16/1091319616.db2.gz QZGYTESHXGWPST-UHFFFAOYSA-N 1 0 318.804 3.085 20 10 DGCDRO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001205912750 1091407589 /nfs/dbraw/zinc/40/75/89/1091407589.db2.gz BYDKIBXPMFETHV-ZJUUUORDSA-N 1 0 303.233 3.258 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001139124533 1091457078 /nfs/dbraw/zinc/45/70/78/1091457078.db2.gz BTWFWOOMRVRSOP-KBPBESRZSA-N 1 0 313.397 3.429 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)CC1CC(F)(F)C1 ZINC001139129567 1091459959 /nfs/dbraw/zinc/45/99/59/1091459959.db2.gz ANFOTAYKFZKZNT-UHFFFAOYSA-N 1 0 323.339 3.284 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c(C)n1-c1ccccc1 ZINC001206164217 1091516485 /nfs/dbraw/zinc/51/64/85/1091516485.db2.gz JPTVRVOZRUVHIA-MOPGFXCFSA-N 1 0 315.436 3.355 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206163895 1091516957 /nfs/dbraw/zinc/51/69/57/1091516957.db2.gz HGGDAETVBFKNTR-RTBURBONSA-N 1 0 315.436 3.355 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cnc(-c3ccccc3)[nH]1)CC2 ZINC001139556512 1091599615 /nfs/dbraw/zinc/59/96/15/1091599615.db2.gz IGYKJWCVHZCYEY-UHFFFAOYSA-N 1 0 305.381 3.341 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@H]([NH3+])C[C@H](F)C2)cc1Cl ZINC001206456744 1091638527 /nfs/dbraw/zinc/63/85/27/1091638527.db2.gz PFCBBAQRGDYKKK-NWDGAFQWSA-N 1 0 314.832 3.214 20 10 DGCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674409 1091640048 /nfs/dbraw/zinc/64/00/48/1091640048.db2.gz YPEBWHKTOLNQIR-KRWDZBQOSA-N 1 0 318.461 3.226 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CS1 ZINC000691408578 1091738728 /nfs/dbraw/zinc/73/87/28/1091738728.db2.gz YVHRTESXWBTDJH-LDYMZIIASA-N 1 0 302.237 3.138 20 10 DGCDRO C[N@H+](Cc1ccccc1O)Cc1ccccc1-c1cncnc1 ZINC001140021240 1091740730 /nfs/dbraw/zinc/74/07/30/1091740730.db2.gz MVISUAFGPFZXOY-UHFFFAOYSA-N 1 0 305.381 3.481 20 10 DGCDRO CCCc1noc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC001140058719 1091752774 /nfs/dbraw/zinc/75/27/74/1091752774.db2.gz JHNLHQAHARYMGU-UHFFFAOYSA-N 1 0 319.380 3.246 20 10 DGCDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccccc1O ZINC001203001028 1091765417 /nfs/dbraw/zinc/76/54/17/1091765417.db2.gz QPYWIPHMYHKJFK-UHFFFAOYSA-N 1 0 308.422 3.081 20 10 DGCDRO COc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)ccc1C ZINC001140162563 1091787752 /nfs/dbraw/zinc/78/77/52/1091787752.db2.gz ZSIZSTUESDJEMT-UHFFFAOYSA-N 1 0 313.397 3.363 20 10 DGCDRO CC[C@H]1[N@H+](Cc2c(C)ccc(C)c2O)CCC[C@]12CCC(=O)N2 ZINC001140181385 1091793503 /nfs/dbraw/zinc/79/35/03/1091793503.db2.gz UBSOWTLBYMITRL-APWZRJJASA-N 1 0 316.445 3.032 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c1O ZINC001140180003 1091793869 /nfs/dbraw/zinc/79/38/69/1091793869.db2.gz AYRPXEXJBNGYEK-UHFFFAOYSA-N 1 0 323.440 3.277 20 10 DGCDRO Cc1ccc(C)c(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c1O ZINC001140181263 1091794158 /nfs/dbraw/zinc/79/41/58/1091794158.db2.gz RZGFNXTVZLRGHK-UHFFFAOYSA-N 1 0 322.449 3.356 20 10 DGCDRO Cc1cccc(O[C@@H]2CC[N@H+](Cc3c(C)ccc(C)c3O)C2)n1 ZINC001140184999 1091795421 /nfs/dbraw/zinc/79/54/21/1091795421.db2.gz NTXISECWOABXJZ-MRXNPFEDSA-N 1 0 312.413 3.366 20 10 DGCDRO OC1CCN(c2ccc(C[N@H+](CC3CC3)C3CC3)cc2)CC1 ZINC001140287215 1091817505 /nfs/dbraw/zinc/81/75/05/1091817505.db2.gz JPFLRLBUQOUXSG-UHFFFAOYSA-N 1 0 300.446 3.022 20 10 DGCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342448 1091836196 /nfs/dbraw/zinc/83/61/96/1091836196.db2.gz JIPWHCUKHHSBLN-GFCCVEGCSA-N 1 0 311.809 3.211 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001140345825 1091837487 /nfs/dbraw/zinc/83/74/87/1091837487.db2.gz ZQEIRXKVGSFNNM-AWEZNQCLSA-N 1 0 308.853 3.496 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001140462856 1091876068 /nfs/dbraw/zinc/87/60/68/1091876068.db2.gz MSJHPVUHTVJIGX-RNCFNFMXSA-N 1 0 323.742 3.181 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001140467269 1091878071 /nfs/dbraw/zinc/87/80/71/1091878071.db2.gz SQXYMNUDWHHVRP-OAHLLOKOSA-N 1 0 304.777 3.094 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001140617454 1091932838 /nfs/dbraw/zinc/93/28/38/1091932838.db2.gz OVCRWOCRZAGGBL-CQSZACIVSA-N 1 0 307.390 3.227 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C)c1 ZINC001140622733 1091933960 /nfs/dbraw/zinc/93/39/60/1091933960.db2.gz DREKZDFLOLPCOD-UHFFFAOYSA-N 1 0 322.449 3.436 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC001140619557 1091934775 /nfs/dbraw/zinc/93/47/75/1091934775.db2.gz HSQOTJSHEQXBIR-UHFFFAOYSA-N 1 0 322.408 3.187 20 10 DGCDRO COC(=O)c1ccc(C2C[NH+](Cc3cc(C)ccc3O)C2)cc1 ZINC001140622845 1091935391 /nfs/dbraw/zinc/93/53/91/1091935391.db2.gz BSCHDXWKEFULGN-UHFFFAOYSA-N 1 0 311.381 3.087 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1 ZINC001140624079 1091935967 /nfs/dbraw/zinc/93/59/67/1091935967.db2.gz FKZAXAPMWXIQFO-ROUUACIJSA-N 1 0 308.425 3.269 20 10 DGCDRO CCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660628 1091949463 /nfs/dbraw/zinc/94/94/63/1091949463.db2.gz YQTSISALZPWBFX-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC001140667127 1091951705 /nfs/dbraw/zinc/95/17/05/1091951705.db2.gz IJIYDZUNRAFHPX-UHFFFAOYSA-N 1 0 318.436 3.428 20 10 DGCDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140664134 1091952321 /nfs/dbraw/zinc/95/23/21/1091952321.db2.gz ZSTJAGGQPKQPSJ-GASCZTMLSA-N 1 0 306.425 3.140 20 10 DGCDRO CCSC[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000164963820 1091984869 /nfs/dbraw/zinc/98/48/69/1091984869.db2.gz KANLCFDQDCZZTO-VIFPVBQESA-N 1 0 304.253 3.386 20 10 DGCDRO Cc1c(O)ccc(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c1O ZINC001140749656 1091985200 /nfs/dbraw/zinc/98/52/00/1091985200.db2.gz IFMKRGVZKVPOPN-SUMWQHHRSA-N 1 0 313.397 3.368 20 10 DGCDRO COc1ccc(CC[N@H+](C)Cc2ccc(O)c(C)c2O)cc1 ZINC001140747431 1091985713 /nfs/dbraw/zinc/98/57/13/1091985713.db2.gz CREWBMZTUOZIRG-UHFFFAOYSA-N 1 0 301.386 3.089 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c1 ZINC001140851065 1092028624 /nfs/dbraw/zinc/02/86/24/1092028624.db2.gz ZRDJFBWZINMCHW-QFBILLFUSA-N 1 0 318.461 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2CCOCC2)c(O)c1 ZINC001140850685 1092029928 /nfs/dbraw/zinc/02/99/28/1092029928.db2.gz QSGTVEAWKSJGCZ-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)CC[C@]1(C)O ZINC001140921274 1092062949 /nfs/dbraw/zinc/06/29/49/1092062949.db2.gz AQAWAAMSPLCSQI-DYVFJYSZSA-N 1 0 310.869 3.389 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c(Cl)c1 ZINC001140926679 1092067478 /nfs/dbraw/zinc/06/74/78/1092067478.db2.gz PROYFWMNNNVNQK-UHFFFAOYSA-N 1 0 317.820 3.065 20 10 DGCDRO Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)c(O)c1 ZINC001140947856 1092074253 /nfs/dbraw/zinc/07/42/53/1092074253.db2.gz IOQSMJGJEWGYHY-UHFFFAOYSA-N 1 0 322.408 3.187 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001140948644 1092074786 /nfs/dbraw/zinc/07/47/86/1092074786.db2.gz RYXFDRVMOUMATP-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO COc1ccc(CC[N@H+](C)Cc2ccc(C)cc2O)cc1OC ZINC001140948315 1092075261 /nfs/dbraw/zinc/07/52/61/1092075261.db2.gz DILKGCYBRKVINU-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C[C@H]1C ZINC001140953864 1092080246 /nfs/dbraw/zinc/08/02/46/1092080246.db2.gz ICFYVMDOFGSPRP-CABCVRRESA-N 1 0 305.418 3.112 20 10 DGCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075550 1092129529 /nfs/dbraw/zinc/12/95/29/1092129529.db2.gz UGVNMCKREYZNNC-HDICACEKSA-N 1 0 310.441 3.081 20 10 DGCDRO c1cc2c(cn1)C[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141075970 1092130224 /nfs/dbraw/zinc/13/02/24/1092130224.db2.gz IJGAFBCOAAJGBT-UHFFFAOYSA-N 1 0 319.452 3.339 20 10 DGCDRO CN1CCOc2cc(C[NH+]3CCC(c4ccncc4)CC3)ccc21 ZINC001141143106 1092148605 /nfs/dbraw/zinc/14/86/05/1092148605.db2.gz NTZJOBZDJDAMKU-UHFFFAOYSA-N 1 0 323.440 3.290 20 10 DGCDRO CN1CCOc2cc(C[N@H+](C)Cc3cccc(F)c3)ccc21 ZINC001141140808 1092148712 /nfs/dbraw/zinc/14/87/12/1092148712.db2.gz PNHVFWKNWVVZDB-UHFFFAOYSA-N 1 0 300.377 3.286 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)C1CCC(C)(C(=O)OC)CC1 ZINC001168789976 1092347202 /nfs/dbraw/zinc/34/72/02/1092347202.db2.gz TUIQRMODQSICLQ-UHFFFAOYSA-N 1 0 305.418 3.336 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3c(c1)OCCCO3)CC2 ZINC001142271863 1092454420 /nfs/dbraw/zinc/45/44/20/1092454420.db2.gz WDTSHASYDWIDDY-UHFFFAOYSA-N 1 0 311.381 3.112 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169044629 1092501100 /nfs/dbraw/zinc/50/11/00/1092501100.db2.gz IMKASRXSQINHDB-WBVHZDCISA-N 1 0 305.422 3.020 20 10 DGCDRO CC(C)(C)c1cccc(C[NH+]2CCC(n3cnnc3)CC2)c1O ZINC001143111325 1092616472 /nfs/dbraw/zinc/61/64/72/1092616472.db2.gz BELPMVMEKCVCRD-UHFFFAOYSA-N 1 0 314.433 3.118 20 10 DGCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110775 1092617115 /nfs/dbraw/zinc/61/71/15/1092617115.db2.gz OOVSCBBMACACKO-HIFRSBDPSA-N 1 0 319.445 3.321 20 10 DGCDRO CCOC(C)(C)C[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001209073121 1092641720 /nfs/dbraw/zinc/64/17/20/1092641720.db2.gz QDUZGMMOXGADNU-UHFFFAOYSA-N 1 0 316.445 3.360 20 10 DGCDRO CCC[C@@H](CC)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169435177 1092696034 /nfs/dbraw/zinc/69/60/34/1092696034.db2.gz RRGIJXVGWSAAMV-QGZVFWFLSA-N 1 0 320.477 3.426 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH+](C3CC3)CC2)cc1 ZINC001209518396 1092805922 /nfs/dbraw/zinc/80/59/22/1092805922.db2.gz KSSAAPTZZNMGQF-UHFFFAOYSA-N 1 0 309.457 3.374 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC001209520486 1092807798 /nfs/dbraw/zinc/80/77/98/1092807798.db2.gz YQERUMOBSJLNLB-AZUAARDMSA-N 1 0 309.457 3.230 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210355459 1093136488 /nfs/dbraw/zinc/13/64/88/1093136488.db2.gz IXXAMOZKJNWRKS-HNNXBMFYSA-N 1 0 316.832 3.062 20 10 DGCDRO COc1ccc(O)c(C[N@@H+](Cc2ccccn2)CC(C)C)c1 ZINC001119979993 1094331628 /nfs/dbraw/zinc/33/16/28/1094331628.db2.gz AKLNBQPQCGRQET-UHFFFAOYSA-N 1 0 300.402 3.454 20 10 DGCDRO Cc1csc(C[C@@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)n1 ZINC001120269241 1094398818 /nfs/dbraw/zinc/39/88/18/1094398818.db2.gz PBCJOTUVJTZANY-HNNXBMFYSA-N 1 0 301.459 3.488 20 10 DGCDRO C[C@@]1([NH2+]Cc2cc(F)ccc2O)CCN(Cc2ccccc2)C1 ZINC000405951847 1094460356 /nfs/dbraw/zinc/46/03/56/1094460356.db2.gz GQTLUUYFMZNTCZ-LJQANCHMSA-N 1 0 314.404 3.286 20 10 DGCDRO O=C1C=CC(=NNc2ccc(O[C@@H]3C[NH2+]C[C@@H]3F)cc2)C=C1 ZINC001218001390 1094552197 /nfs/dbraw/zinc/55/21/97/1094552197.db2.gz UWSQOIUFGZBNQK-JKSUJKDBSA-N 1 0 301.321 3.496 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC001336284502 1094614685 /nfs/dbraw/zinc/61/46/85/1094614685.db2.gz AEOJCIKOPCDHKM-MOPGFXCFSA-N 1 0 314.404 3.496 20 10 DGCDRO Nc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)cc1 ZINC001336286959 1094616321 /nfs/dbraw/zinc/61/63/21/1094616321.db2.gz UVKQCDWTFWBZDR-UHFFFAOYSA-N 1 0 318.367 3.343 20 10 DGCDRO O=C1C=CC=CC1=NNc1ccccc1OC[C@H]1C[NH2+]CCO1 ZINC001218178760 1094644265 /nfs/dbraw/zinc/64/42/65/1094644265.db2.gz CZWUNLLTSCEFMO-ZIPFOMIPSA-N 1 0 313.357 3.175 20 10 DGCDRO CCC(CC)CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135846946 1094713947 /nfs/dbraw/zinc/71/39/47/1094713947.db2.gz DRRNUCDSBKAQTR-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO CCC[C@@H](CC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135883890 1094737503 /nfs/dbraw/zinc/73/75/03/1094737503.db2.gz FQUZBXHDDVSHAU-MRXNPFEDSA-N 1 0 306.450 3.036 20 10 DGCDRO C[C@H]1[NH2+]C[C@@H]1Oc1cc(N(C)C)ccc1/N=N/c1ccccn1 ZINC001218394931 1094747768 /nfs/dbraw/zinc/74/77/68/1094747768.db2.gz ZMYLMCFVONOVIC-XGTYTVAMSA-N 1 0 311.389 3.302 20 10 DGCDRO CC(C)c1ccc(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001219120077 1094944119 /nfs/dbraw/zinc/94/41/19/1094944119.db2.gz PZYGHTNNETWNAT-UHFFFAOYSA-N 1 0 323.440 3.472 20 10 DGCDRO C[C@@H](C[NH3+])C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001219203825 1094952059 /nfs/dbraw/zinc/95/20/59/1094952059.db2.gz OHLBULSRIZJQCK-RGDDUWESSA-N 1 0 323.440 3.456 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C)[C@@H]1CCCOC1 ZINC001337602654 1095032531 /nfs/dbraw/zinc/03/25/31/1095032531.db2.gz STNQQIPYCLSLPK-FPCVCCKLSA-N 1 0 319.445 3.280 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001337786142 1095094967 /nfs/dbraw/zinc/09/49/67/1095094967.db2.gz VDEVLGNCGBMLCT-DOMZBBRYSA-N 1 0 310.397 3.138 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CN2CCCCC2)cc1 ZINC000315660653 1095123885 /nfs/dbraw/zinc/12/38/85/1095123885.db2.gz ORKFZQBRQRXGKO-QGZVFWFLSA-N 1 0 303.494 3.497 20 10 DGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001338185070 1095214242 /nfs/dbraw/zinc/21/42/42/1095214242.db2.gz CZHZFFRWCOIOFM-MELADBBJSA-N 1 0 318.417 3.069 20 10 DGCDRO Cc1cc(C(=O)NCC[NH+]2CC=CC2)c(C)n1-c1cccc(C)c1 ZINC001116127829 1095464487 /nfs/dbraw/zinc/46/44/87/1095464487.db2.gz PJHWMRODXBPQPK-UHFFFAOYSA-N 1 0 323.440 3.004 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222191311 1095483755 /nfs/dbraw/zinc/48/37/55/1095483755.db2.gz KEJCJPHMIQJVBF-FQEVSTJZSA-N 1 0 309.457 3.422 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222191312 1095484247 /nfs/dbraw/zinc/48/42/47/1095484247.db2.gz KEJCJPHMIQJVBF-HXUWFJFHSA-N 1 0 309.457 3.422 20 10 DGCDRO Oc1c(CN2CC[C@@]23CCC[NH2+]C3)cccc1-c1ccccc1 ZINC001222196777 1095487572 /nfs/dbraw/zinc/48/75/72/1095487572.db2.gz CCAZVRCJUFEJIB-HXUWFJFHSA-N 1 0 308.425 3.387 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CCC2(CCCC[NH2+]2)CC1 ZINC001222297310 1095535354 /nfs/dbraw/zinc/53/53/54/1095535354.db2.gz CUNFZUHXOQJFAY-UHFFFAOYSA-N 1 0 312.816 3.293 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001116443586 1095553994 /nfs/dbraw/zinc/55/39/94/1095553994.db2.gz BPCWNSHOLWYHJX-HKUYNNGSSA-N 1 0 300.446 3.288 20 10 DGCDRO Oc1c(CN2CC3(C2)CCC[NH2+]C3)cccc1-c1ccccc1 ZINC001222339987 1095559897 /nfs/dbraw/zinc/55/98/97/1095559897.db2.gz KFCGZYSOMYEMON-UHFFFAOYSA-N 1 0 308.425 3.245 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)c1cccs1 ZINC001116476054 1095569068 /nfs/dbraw/zinc/56/90/68/1095569068.db2.gz JLQJCBBQICYYHX-GOSISDBHSA-N 1 0 316.470 3.346 20 10 DGCDRO CC(=O)N1CCC(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001116564999 1095602120 /nfs/dbraw/zinc/60/21/20/1095602120.db2.gz DCHGTPIAVSUVIQ-BBRMVZONSA-N 1 0 316.445 3.097 20 10 DGCDRO Cc1noc(CCC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC001116569020 1095603115 /nfs/dbraw/zinc/60/31/15/1095603115.db2.gz YCLCYRLYWSUSFG-AAEUAGOBSA-N 1 0 301.390 3.163 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C2CCCCCC2)cc1C ZINC001124650193 1095613505 /nfs/dbraw/zinc/61/35/05/1095613505.db2.gz DPTICENHIGKPEW-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001222436469 1095614753 /nfs/dbraw/zinc/61/47/53/1095614753.db2.gz YNQWANWYOGRUJF-LJQANCHMSA-N 1 0 302.462 3.408 20 10 DGCDRO Oc1c(CN2CC[C@@]3(C2)CCCC[NH2+]3)cccc1C(F)(F)F ZINC001222436161 1095614863 /nfs/dbraw/zinc/61/48/63/1095614863.db2.gz WELKDJAOCAEWJB-OAHLLOKOSA-N 1 0 314.351 3.129 20 10 DGCDRO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)no1 ZINC001139670004 1095615020 /nfs/dbraw/zinc/61/50/20/1095615020.db2.gz VAFNJWCHLKGPGN-INIZCTEOSA-N 1 0 314.433 3.132 20 10 DGCDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116616369 1095617053 /nfs/dbraw/zinc/61/70/53/1095617053.db2.gz HLRXILHFUMMOMB-UHFFFAOYSA-N 1 0 304.434 3.108 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccccc1O ZINC001116674228 1095630907 /nfs/dbraw/zinc/63/09/07/1095630907.db2.gz WDYFKAUSHVDCAP-GOEBONIOSA-N 1 0 304.434 3.082 20 10 DGCDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144514385 1095697982 /nfs/dbraw/zinc/69/79/82/1095697982.db2.gz AYPQOTDMOMXXNQ-MRXNPFEDSA-N 1 0 315.369 3.149 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001276837082 1095750204 /nfs/dbraw/zinc/75/02/04/1095750204.db2.gz DWUSHNWMFFLVQQ-UHFFFAOYSA-N 1 0 324.827 3.245 20 10 DGCDRO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137839250 1095760103 /nfs/dbraw/zinc/76/01/03/1095760103.db2.gz YJBAFUQDGYNQOF-HNNXBMFYSA-N 1 0 314.404 3.410 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)Cc1ccccc1 ZINC001117364205 1095765424 /nfs/dbraw/zinc/76/54/24/1095765424.db2.gz UKZKWOHVOLMPKR-OIISXLGYSA-N 1 0 311.425 3.442 20 10 DGCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001117582786 1095783950 /nfs/dbraw/zinc/78/39/50/1095783950.db2.gz BALNORPQUOZHNN-YLJYHZDGSA-N 1 0 313.489 3.345 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c(O)c1 ZINC001117749720 1095831857 /nfs/dbraw/zinc/83/18/57/1095831857.db2.gz AEIGXYVSJGKAAH-NVXWUHKLSA-N 1 0 321.461 3.085 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001118564671 1096037844 /nfs/dbraw/zinc/03/78/44/1096037844.db2.gz DSZSIDZHBUUVPW-IBGZPJMESA-N 1 0 319.468 3.102 20 10 DGCDRO CCCC[C@](C)(CO)[NH2+]Cc1ccc(Br)cc1O ZINC001118640294 1096051897 /nfs/dbraw/zinc/05/18/97/1096051897.db2.gz HNUQRERESGSWSL-CQSZACIVSA-N 1 0 316.239 3.186 20 10 DGCDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118798662 1096078454 /nfs/dbraw/zinc/07/84/54/1096078454.db2.gz GFQLRKAXQBRZPJ-CYBMUJFWSA-N 1 0 314.420 3.165 20 10 DGCDRO C/C(=C/c1cccnc1)C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001341253814 1096142262 /nfs/dbraw/zinc/14/22/62/1096142262.db2.gz ALTNLRPSYGHNGB-HKBKRHGFSA-N 1 0 321.424 3.039 20 10 DGCDRO Cc1nccnc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001119248313 1096145577 /nfs/dbraw/zinc/14/55/77/1096145577.db2.gz ILQFFXSCUVQQIC-UHFFFAOYSA-N 1 0 310.445 3.407 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1CCC2(COC2)CC1 ZINC001119289058 1096154788 /nfs/dbraw/zinc/15/47/88/1096154788.db2.gz DQNRIGJBCHAEPU-UHFFFAOYSA-N 1 0 300.446 3.336 20 10 DGCDRO Oc1cc2ccccc2cc1CNc1cnc2c(c1)C[NH2+]CC2 ZINC001171404984 1096675877 /nfs/dbraw/zinc/67/58/77/1096675877.db2.gz OBDKURBVAYMWBE-UHFFFAOYSA-N 1 0 305.381 3.198 20 10 DGCDRO CN(C)c1ccc(CN2CCC3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001226783068 1096775994 /nfs/dbraw/zinc/77/59/94/1096775994.db2.gz DXNPHCKCMDCKRR-UHFFFAOYSA-N 1 0 307.869 3.124 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC001171730151 1096957071 /nfs/dbraw/zinc/95/70/71/1096957071.db2.gz RRCPBTCQLZDSSZ-UHFFFAOYSA-N 1 0 302.393 3.403 20 10 DGCDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CN1Cc1ccccc1 ZINC001171760695 1096964809 /nfs/dbraw/zinc/96/48/09/1096964809.db2.gz ZKSFKRHLBZHIGH-VQIMIIECSA-N 1 0 310.441 3.487 20 10 DGCDRO CC[C@H](C)OCC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001172334450 1097116887 /nfs/dbraw/zinc/11/68/87/1097116887.db2.gz CNWFXQNVTHXDCC-IRXDYDNUSA-N 1 0 320.477 3.411 20 10 DGCDRO CCOCC[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC001172419917 1097135137 /nfs/dbraw/zinc/13/51/37/1097135137.db2.gz NQWXOPODTFZGKF-SNVBAGLBSA-N 1 0 302.212 3.059 20 10 DGCDRO CC(C)OCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC001172441718 1097155390 /nfs/dbraw/zinc/15/53/90/1097155390.db2.gz OQWYSVOGDBSPGC-LLVKDONJSA-N 1 0 316.239 3.448 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccccc1O ZINC001172670868 1097212019 /nfs/dbraw/zinc/21/20/19/1097212019.db2.gz KCUYAPZBALOKGM-WBVHZDCISA-N 1 0 324.424 3.234 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001172775553 1097238336 /nfs/dbraw/zinc/23/83/36/1097238336.db2.gz ARVHPDSXEXTYKG-CVEARBPZSA-N 1 0 305.418 3.215 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C)c1O ZINC001172956676 1097302560 /nfs/dbraw/zinc/30/25/60/1097302560.db2.gz DNAXKFIGOBDWMA-AWEZNQCLSA-N 1 0 322.449 3.436 20 10 DGCDRO c1nc2c(s1)C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC001173119751 1097334961 /nfs/dbraw/zinc/33/49/61/1097334961.db2.gz AISNXQMBHGLJIZ-OAHLLOKOSA-N 1 0 313.470 3.390 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](CC)Cc2ccccc2O)C1 ZINC001173658897 1097484150 /nfs/dbraw/zinc/48/41/50/1097484150.db2.gz SFXSOFWUWBDRQN-GDBMZVCRSA-N 1 0 305.418 3.336 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001173648695 1097491301 /nfs/dbraw/zinc/49/13/01/1097491301.db2.gz FLVCPBWCTUHLKC-ZBFHGGJFSA-N 1 0 305.418 3.215 20 10 DGCDRO Cc1cc(F)cc(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c1O ZINC001277519689 1097751664 /nfs/dbraw/zinc/75/16/64/1097751664.db2.gz HVAGBTLWQNEICW-KBXCAEBGSA-N 1 0 318.436 3.288 20 10 DGCDRO Cc1cc(F)cc(CN2CC3(CC[N@@H+]3C3CCCC3)C2)c1O ZINC001277520017 1097752165 /nfs/dbraw/zinc/75/21/65/1097752165.db2.gz VBIOPUMATCDJIZ-UHFFFAOYSA-N 1 0 304.409 3.042 20 10 DGCDRO COc1ccc(Br)c(C[N@@H+]2CCCC23CC3)c1O ZINC001231547494 1097778168 /nfs/dbraw/zinc/77/81/68/1097778168.db2.gz GTMNWTFYIYPQSL-UHFFFAOYSA-N 1 0 312.207 3.292 20 10 DGCDRO CC[C@@H](C)[N@H+](C)Cc1c(Br)ccc(OC)c1O ZINC001231549468 1097778232 /nfs/dbraw/zinc/77/82/32/1097778232.db2.gz BANWRFQPFWFCTI-SECBINFHSA-N 1 0 302.212 3.394 20 10 DGCDRO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590294 1097785233 /nfs/dbraw/zinc/78/52/33/1097785233.db2.gz RAXVRZZEWXRQHB-QGZVFWFLSA-N 1 0 313.397 3.463 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001231587432 1097785900 /nfs/dbraw/zinc/78/59/00/1097785900.db2.gz CCJBXSAEONGWPW-SFHVURJKSA-N 1 0 303.377 3.232 20 10 DGCDRO O=C1CCC[C@@]2(CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)N1 ZINC001231586764 1097786101 /nfs/dbraw/zinc/78/61/01/1097786101.db2.gz GFGXLDQXRLCWIH-FQEVSTJZSA-N 1 0 324.424 3.180 20 10 DGCDRO Cc1cccc(C[N@H+](Cc2cccnc2)C2CCOCC2)c1O ZINC001231593319 1097787138 /nfs/dbraw/zinc/78/71/38/1097787138.db2.gz ULLDGJQZIKJNRF-UHFFFAOYSA-N 1 0 312.413 3.277 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c1O ZINC001231593487 1097787357 /nfs/dbraw/zinc/78/73/57/1097787357.db2.gz IGYPEMMVLFZACM-LJQANCHMSA-N 1 0 308.425 3.116 20 10 DGCDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(OC)c(O)cc1O ZINC001231639407 1097798764 /nfs/dbraw/zinc/79/87/64/1097798764.db2.gz PMWUTNKVCLGEAL-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO Oc1cc2c(cc1O)CN(Cc1ccc(Cl)c(O)c1)CCC2 ZINC001231736309 1097827909 /nfs/dbraw/zinc/82/79/09/1097827909.db2.gz HLDAQPRZXBUOMO-UHFFFAOYSA-N 1 0 319.788 3.405 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC001231842971 1097860290 /nfs/dbraw/zinc/86/02/90/1097860290.db2.gz QYKQJWCHZKWUCV-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c(O)c1 ZINC001231841646 1097861069 /nfs/dbraw/zinc/86/10/69/1097861069.db2.gz CRNWWTAXTOXIEB-DOMZBBRYSA-N 1 0 317.351 3.144 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c(O)c1 ZINC001231844160 1097862344 /nfs/dbraw/zinc/86/23/44/1097862344.db2.gz FSWYSQRKWVEGHM-HXUWFJFHSA-N 1 0 322.408 3.105 20 10 DGCDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231844113 1097862461 /nfs/dbraw/zinc/86/24/61/1097862461.db2.gz DZPZKOJPJZSEHQ-RTBURBONSA-N 1 0 319.445 3.027 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)C[C@H]1C ZINC001231848361 1097863338 /nfs/dbraw/zinc/86/33/38/1097863338.db2.gz GVWYVVFINMHXSR-HZPDHXFCSA-N 1 0 319.445 3.420 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001231852456 1097864973 /nfs/dbraw/zinc/86/49/73/1097864973.db2.gz VPIDALKQYZBVGG-OKILXGFUSA-N 1 0 310.388 3.238 20 10 DGCDRO COc1cc(N(C)C)ccc1CN1CCOc2ccccc2C1 ZINC001231852861 1097865426 /nfs/dbraw/zinc/86/54/26/1097865426.db2.gz BOEPNLBTHZILHY-UHFFFAOYSA-N 1 0 312.413 3.156 20 10 DGCDRO COCCC1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231854077 1097865879 /nfs/dbraw/zinc/86/58/79/1097865879.db2.gz YLTRSZOERKPATA-UHFFFAOYSA-N 1 0 306.450 3.010 20 10 DGCDRO COC(=O)CC1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231868768 1097869872 /nfs/dbraw/zinc/86/98/72/1097869872.db2.gz YFSQQAHSMAEQLV-UHFFFAOYSA-N 1 0 311.809 3.129 20 10 DGCDRO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc2ccccc2c1O ZINC001231879479 1097877090 /nfs/dbraw/zinc/87/70/90/1097877090.db2.gz DSUMDBUOQDBJAU-HNAYVOBHSA-N 1 0 311.381 3.073 20 10 DGCDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc2ccccc2c1O ZINC001231879259 1097877106 /nfs/dbraw/zinc/87/71/06/1097877106.db2.gz XXBBZGNQYYSUHA-FQEVSTJZSA-N 1 0 324.424 3.132 20 10 DGCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231881348 1097877661 /nfs/dbraw/zinc/87/76/61/1097877661.db2.gz VTXHIQOJVUXJPP-CQSZACIVSA-N 1 0 313.397 3.321 20 10 DGCDRO COc1cccc2c(C[N@@H+]3CCc4cccc(O)c4C3)c[nH]c21 ZINC001231899981 1097885649 /nfs/dbraw/zinc/88/56/49/1097885649.db2.gz ZTIKCRVNUBEVMV-UHFFFAOYSA-N 1 0 308.381 3.440 20 10 DGCDRO Oc1cc(O)c(C[NH+]2CCc3ccccc3CC2)cc1Cl ZINC001232261960 1097984819 /nfs/dbraw/zinc/98/48/19/1097984819.db2.gz VVCMBAXWKWQLIZ-UHFFFAOYSA-N 1 0 303.789 3.352 20 10 DGCDRO COc1cc(O)c(CN2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC001232265044 1097986018 /nfs/dbraw/zinc/98/60/18/1097986018.db2.gz NVSFWYHTRQMQKQ-UHFFFAOYSA-N 1 0 324.852 3.114 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)cc1Cl ZINC001232266176 1097986096 /nfs/dbraw/zinc/98/60/96/1097986096.db2.gz JRYJNIADEXJHGE-ZBEGNZNMSA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2cccc(O)c2)cc1Cl ZINC001232266575 1097986499 /nfs/dbraw/zinc/98/64/99/1097986499.db2.gz PISBBFVPFPIGDH-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1Cl ZINC001232264148 1097986890 /nfs/dbraw/zinc/98/68/90/1097986890.db2.gz FLQWXOBFCOTZAN-CYBMUJFWSA-N 1 0 318.804 3.439 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1Cl ZINC001232267017 1097987272 /nfs/dbraw/zinc/98/72/72/1097987272.db2.gz UZDJFMFBGLUCGX-NHYWBVRUSA-N 1 0 311.809 3.055 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1Cl ZINC001232269717 1097988514 /nfs/dbraw/zinc/98/85/14/1097988514.db2.gz IRNCWWRLQUNFQV-SECBINFHSA-N 1 0 309.715 3.438 20 10 DGCDRO COc1cc(O)c(CN2CC[N@H+](C)CC23CCCC3)cc1Cl ZINC001232271569 1097989007 /nfs/dbraw/zinc/98/90/07/1097989007.db2.gz XFXFWNHBZGMLRK-UHFFFAOYSA-N 1 0 324.852 3.114 20 10 DGCDRO COC(=O)c1c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c2ccccc2n1C ZINC001232401851 1098028556 /nfs/dbraw/zinc/02/85/56/1098028556.db2.gz DMTCBMDXRANMHY-KBPBESRZSA-N 1 0 312.413 3.197 20 10 DGCDRO COC(=O)c1c(C[NH+]2C[C@H](C)C[C@@H](C)C2)c2ccccc2n1C ZINC001232404826 1098030081 /nfs/dbraw/zinc/03/00/81/1098030081.db2.gz AIDIBUPETNIBMV-ZIAGYGMSSA-N 1 0 314.429 3.443 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F)c1ccccc1O ZINC001175418465 1098039462 /nfs/dbraw/zinc/03/94/62/1098039462.db2.gz LCMVRVLTQCLJGL-MNOVXSKESA-N 1 0 320.339 3.348 20 10 DGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC001232581240 1098083955 /nfs/dbraw/zinc/08/39/55/1098083955.db2.gz LIPDTJFDJBKJOW-UHFFFAOYSA-N 1 0 319.788 3.464 20 10 DGCDRO C[N@H+](Cc1c[nH]c2ncncc12)Cc1ccc(N2CCCC2)cc1 ZINC001232657502 1098108864 /nfs/dbraw/zinc/10/88/64/1098108864.db2.gz VYQDEUVZTSBHQB-UHFFFAOYSA-N 1 0 321.428 3.142 20 10 DGCDRO COc1cccc2c1C[N@H+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232835204 1098148033 /nfs/dbraw/zinc/14/80/33/1098148033.db2.gz ZPJQBGKQLNHDJS-UHFFFAOYSA-N 1 0 312.413 3.025 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001232836559 1098149179 /nfs/dbraw/zinc/14/91/79/1098149179.db2.gz PYHFRXANSPBMAB-AWEZNQCLSA-N 1 0 320.330 3.182 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2O)c1 ZINC001232838617 1098149446 /nfs/dbraw/zinc/14/94/46/1098149446.db2.gz HPZFXVDJBLKQHP-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCc2ccccc2F)c(O)c1 ZINC001232840723 1098150314 /nfs/dbraw/zinc/15/03/14/1098150314.db2.gz IGABTLMHJGVEHY-UHFFFAOYSA-N 1 0 302.393 3.272 20 10 DGCDRO CC[NH+]1CCN(c2ccc(N(C)c3ccc(N)cc3)cc2)CC1 ZINC001175783077 1098169685 /nfs/dbraw/zinc/16/96/85/1098169685.db2.gz XEFYLIASWRMJAG-UHFFFAOYSA-N 1 0 310.445 3.179 20 10 DGCDRO Oc1cc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)cc(O)c1O ZINC001233011985 1098204181 /nfs/dbraw/zinc/20/41/81/1098204181.db2.gz FUMIBLGBVYCOLD-GFCCVEGCSA-N 1 0 319.788 3.446 20 10 DGCDRO C[N@H+](CCc1ccccc1Cl)Cc1cc(O)c(O)c(O)c1 ZINC001233013644 1098204488 /nfs/dbraw/zinc/20/44/88/1098204488.db2.gz RIHMAIFVARYIFY-UHFFFAOYSA-N 1 0 307.777 3.131 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001233135670 1098235427 /nfs/dbraw/zinc/23/54/27/1098235427.db2.gz XQYVLYLDVPFBGZ-JTQLQIEISA-N 1 0 314.223 3.395 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@](F)(CO)CC2)c1 ZINC001233284569 1098274220 /nfs/dbraw/zinc/27/42/20/1098274220.db2.gz ZOGJZASKTCRTFD-SFHVURJKSA-N 1 0 309.425 3.376 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@@](O)(CF)C2)c1 ZINC001233284491 1098275336 /nfs/dbraw/zinc/27/53/36/1098275336.db2.gz WZJBQCBBTFPPRT-GOSISDBHSA-N 1 0 309.425 3.376 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c1O ZINC001233287635 1098278361 /nfs/dbraw/zinc/27/83/61/1098278361.db2.gz ANGNVUVGOFNDMH-MRXNPFEDSA-N 1 0 313.825 3.039 20 10 DGCDRO Oc1ccc(F)c(F)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC001233331911 1098292123 /nfs/dbraw/zinc/29/21/23/1098292123.db2.gz PPYQJNJAZVWSNI-UHFFFAOYSA-N 1 0 310.388 3.121 20 10 DGCDRO C[NH+](C)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418083 1098322803 /nfs/dbraw/zinc/32/28/03/1098322803.db2.gz SJGYLFBMQOUKNQ-UHFFFAOYSA-N 1 0 316.367 3.185 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@@]1(C)O ZINC001233452395 1098337227 /nfs/dbraw/zinc/33/72/27/1098337227.db2.gz UWNPCAGLKDYECG-XHDPSFHLSA-N 1 0 317.351 3.394 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001233451914 1098337455 /nfs/dbraw/zinc/33/74/55/1098337455.db2.gz DHEHGKFXJYHDFW-IAQYHMDHSA-N 1 0 315.335 3.412 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC[C@@H]1O ZINC001233452470 1098338118 /nfs/dbraw/zinc/33/81/18/1098338118.db2.gz XZCMNWRZHWOKSL-MFKMUULPSA-N 1 0 303.324 3.004 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001233454743 1098339490 /nfs/dbraw/zinc/33/94/90/1098339490.db2.gz ISBOTWWZUIEQJH-SMDDNHRTSA-N 1 0 301.308 3.022 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001233454911 1098340769 /nfs/dbraw/zinc/34/07/69/1098340769.db2.gz OHKDSCPEWIENGA-LLVKDONJSA-N 1 0 321.339 3.440 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001233454606 1098341237 /nfs/dbraw/zinc/34/12/37/1098341237.db2.gz BUJFHSPBJLCOEA-CQSZACIVSA-N 1 0 301.308 3.166 20 10 DGCDRO CC1(c2ccccc2)CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487111 1098348070 /nfs/dbraw/zinc/34/80/70/1098348070.db2.gz QFUDLMYNQYYAAX-UHFFFAOYSA-N 1 0 313.397 3.357 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCC1=O ZINC001233727119 1098416505 /nfs/dbraw/zinc/41/65/05/1098416505.db2.gz IXLWUBZCHMPYDZ-SNVBAGLBSA-N 1 0 317.307 3.092 20 10 DGCDRO C[C@@]1(O)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233727319 1098416812 /nfs/dbraw/zinc/41/68/12/1098416812.db2.gz MHQORIVSMMDZPK-CQSZACIVSA-N 1 0 319.323 3.028 20 10 DGCDRO CCO[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233754791 1098423334 /nfs/dbraw/zinc/42/33/34/1098423334.db2.gz LJRWSMHTFPDAPZ-GFCCVEGCSA-N 1 0 319.323 3.292 20 10 DGCDRO CC(C)[C@H]1COCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233760113 1098424148 /nfs/dbraw/zinc/42/41/48/1098424148.db2.gz CEFBPHJAXYTNEX-GFCCVEGCSA-N 1 0 319.323 3.148 20 10 DGCDRO Oc1c(C[N@@H+]2CCc3occc3C2)cccc1OC(F)(F)F ZINC001233768471 1098427273 /nfs/dbraw/zinc/42/72/73/1098427273.db2.gz RTNKPWSNROPQNF-UHFFFAOYSA-N 1 0 313.275 3.442 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)[C@@H](C)C1 ZINC001233776169 1098429134 /nfs/dbraw/zinc/42/91/34/1098429134.db2.gz MCGAKZNYWLHKQB-CMPLNLGQSA-N 1 0 319.323 3.290 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)c1O ZINC001176927490 1098450985 /nfs/dbraw/zinc/45/09/85/1098450985.db2.gz SJIUUNCBWCWMAU-IAGOWNOFSA-N 1 0 321.392 3.267 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2F)CC1 ZINC001177542012 1098553002 /nfs/dbraw/zinc/55/30/02/1098553002.db2.gz JDBZGOCRFPWRAN-INIZCTEOSA-N 1 0 317.452 3.023 20 10 DGCDRO Cc1cn2c(C[NH2+]Cc3ccc4c(c3)CCO4)c(C)nc2s1 ZINC001177586870 1098558743 /nfs/dbraw/zinc/55/87/43/1098558743.db2.gz MLAYLTJVDIRKQY-UHFFFAOYSA-N 1 0 313.426 3.237 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](C)[C@@H](O)CC3)c2c1 ZINC001234525212 1098580061 /nfs/dbraw/zinc/58/00/61/1098580061.db2.gz CQGSGMHXFFFBNH-UGSOOPFHSA-N 1 0 315.413 3.147 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](C)[C@H]3CO)c2c1 ZINC001234525473 1098580994 /nfs/dbraw/zinc/58/09/94/1098580994.db2.gz ICYFKIHJWDPPNS-FZKQIMNGSA-N 1 0 315.413 3.147 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](C)[C@H]3CO)c2c1 ZINC001234525474 1098581016 /nfs/dbraw/zinc/58/10/16/1098581016.db2.gz ICYFKIHJWDPPNS-SCLBCKFNSA-N 1 0 315.413 3.147 20 10 DGCDRO CCCOC[C@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657042 1098634713 /nfs/dbraw/zinc/63/47/13/1098634713.db2.gz AEQMRNPRTVJLNR-INIZCTEOSA-N 1 0 306.450 3.022 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)c3nccs3)cc2)CC1 ZINC001234661475 1098637296 /nfs/dbraw/zinc/63/72/96/1098637296.db2.gz UDRDGGUWGFRWJL-CQSZACIVSA-N 1 0 317.458 3.425 20 10 DGCDRO C[N@H+](Cc1cncnc1)Cc1cccc(-c2ccccc2)c1O ZINC001235001867 1098745653 /nfs/dbraw/zinc/74/56/53/1098745653.db2.gz WRHDJZJIURTWIV-UHFFFAOYSA-N 1 0 305.381 3.481 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235048883 1098774613 /nfs/dbraw/zinc/77/46/13/1098774613.db2.gz LNSPZKFFESXECH-ZWKOTPCHSA-N 1 0 312.388 3.135 20 10 DGCDRO C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001206324333 1098783677 /nfs/dbraw/zinc/78/36/77/1098783677.db2.gz ABKKENQOOZZOQZ-HNNXBMFYSA-N 1 0 300.805 3.136 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153382 1098838655 /nfs/dbraw/zinc/83/86/55/1098838655.db2.gz SATZNRZZJLSJNS-INIZCTEOSA-N 1 0 308.853 3.400 20 10 DGCDRO COC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCCC1 ZINC001178524625 1098855843 /nfs/dbraw/zinc/85/58/43/1098855843.db2.gz LFBATSCFSPXGBH-UHFFFAOYSA-N 1 0 312.404 3.470 20 10 DGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3cc(F)cc(Br)c3[O-])C[C@@H]21 ZINC001235303673 1098951345 /nfs/dbraw/zinc/95/13/45/1098951345.db2.gz QATRTDVOAAUHII-PHIMTYICSA-N 1 0 314.198 3.382 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1 ZINC001179142195 1099018718 /nfs/dbraw/zinc/01/87/18/1099018718.db2.gz BQTCWSPOEFLZKG-SFHVURJKSA-N 1 0 303.494 3.495 20 10 DGCDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC001179238034 1099043911 /nfs/dbraw/zinc/04/39/11/1099043911.db2.gz GSGZWLRSQKXWRR-MRXNPFEDSA-N 1 0 307.457 3.246 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001235673956 1099116243 /nfs/dbraw/zinc/11/62/43/1099116243.db2.gz BYPQSVDCVWBFNU-HNNXBMFYSA-N 1 0 317.351 3.189 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)[C@H]1C ZINC001235679560 1099122013 /nfs/dbraw/zinc/12/20/13/1099122013.db2.gz POOYWJJWXYPLHL-BBRMVZONSA-N 1 0 319.445 3.463 20 10 DGCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235679427 1099122255 /nfs/dbraw/zinc/12/22/55/1099122255.db2.gz ONGXJBUANXOLEA-HIFRSBDPSA-N 1 0 319.445 3.321 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(O)c1 ZINC001235678512 1099122979 /nfs/dbraw/zinc/12/29/79/1099122979.db2.gz CADDWOCNWFCMPC-MRXNPFEDSA-N 1 0 314.433 3.118 20 10 DGCDRO [NH3+]C[C@@H]1CCCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001235725920 1099149638 /nfs/dbraw/zinc/14/96/38/1099149638.db2.gz QNVSWNOBBMXFFE-KRWDZBQOSA-N 1 0 300.377 3.121 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2C)cc1 ZINC001179627399 1099158667 /nfs/dbraw/zinc/15/86/67/1099158667.db2.gz ZDZOETDFHMRDBX-APWZRJJASA-N 1 0 303.494 3.495 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)cc1F ZINC001179630500 1099159687 /nfs/dbraw/zinc/15/96/87/1099159687.db2.gz DDDPDDWTCKZWOL-GOSISDBHSA-N 1 0 320.383 3.028 20 10 DGCDRO Cc1cc(C[N@@H+]2CCN[C@H](c3ccccc3)C2)ccc1N(C)C ZINC001235854453 1099214749 /nfs/dbraw/zinc/21/47/49/1099214749.db2.gz OSSJSHVTGRWGQG-IBGZPJMESA-N 1 0 309.457 3.208 20 10 DGCDRO C[C@H]1C[C@@H]([NH3+])CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001236049580 1099352490 /nfs/dbraw/zinc/35/24/90/1099352490.db2.gz FXCVZZZWRCIVTC-SCLBCKFNSA-N 1 0 314.404 3.367 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)cc2C)CCCCC1 ZINC001180353954 1099382069 /nfs/dbraw/zinc/38/20/69/1099382069.db2.gz QMDURMAIPOAKCV-UHFFFAOYSA-N 1 0 318.461 3.417 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCc3cc(N)ccc3C2)c1O ZINC001236108015 1099397552 /nfs/dbraw/zinc/39/75/52/1099397552.db2.gz GWDAYLLRMCKUBK-UHFFFAOYSA-N 1 0 302.805 3.495 20 10 DGCDRO CCCC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)CC[NH2+]1 ZINC001236141515 1099426716 /nfs/dbraw/zinc/42/67/16/1099426716.db2.gz JZNDEYKVLPUAHD-AWEZNQCLSA-N 1 0 312.841 3.018 20 10 DGCDRO CCC[C@H]1CN(Cc2c(O)ccc3ccc(OC)cc32)CC[NH2+]1 ZINC001236177454 1099447397 /nfs/dbraw/zinc/44/73/97/1099447397.db2.gz AOJDGSGNDPQQNA-HNNXBMFYSA-N 1 0 314.429 3.128 20 10 DGCDRO Cc1cc(O)c(CN2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC001180547146 1099455211 /nfs/dbraw/zinc/45/52/11/1099455211.db2.gz WYJHZEXUZPFYCE-UHFFFAOYSA-N 1 0 308.853 3.414 20 10 DGCDRO CN(Cc1cc(C(F)(F)F)ccc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216405 1099472524 /nfs/dbraw/zinc/47/25/24/1099472524.db2.gz KFINROBZZRTBQD-OLZOCXBDSA-N 1 0 302.340 3.113 20 10 DGCDRO CCN(CC)c1ccc(CN(C)[C@H]2CCCC[C@H]2[NH3+])c(OC)c1 ZINC001236219421 1099475446 /nfs/dbraw/zinc/47/54/46/1099475446.db2.gz VZMSYPYNDVYDIZ-MSOLQXFVSA-N 1 0 319.493 3.243 20 10 DGCDRO CN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220453 1099478661 /nfs/dbraw/zinc/47/86/61/1099478661.db2.gz 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1099548440 /nfs/dbraw/zinc/54/84/40/1099548440.db2.gz YIEFECJUCIZPDK-UHFFFAOYSA-N 1 0 321.808 3.371 20 10 DGCDRO Oc1ccccc1CN(Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236389053 1099570211 /nfs/dbraw/zinc/57/02/11/1099570211.db2.gz RVFFXZPJMWKDDE-GOSISDBHSA-N 1 0 314.404 3.286 20 10 DGCDRO CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236470206 1099630173 /nfs/dbraw/zinc/63/01/73/1099630173.db2.gz BOAQOHVUFQGBPG-CYBMUJFWSA-N 1 0 316.367 3.373 20 10 DGCDRO Oc1c(CN(C2CC2)[C@@H]2CC[NH2+]C2)cccc1-c1ccccc1 ZINC001236527223 1099662284 /nfs/dbraw/zinc/66/22/84/1099662284.db2.gz ANELKIBWXXTEIE-GOSISDBHSA-N 1 0 308.425 3.386 20 10 DGCDRO CN(C)c1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236600021 1099695170 /nfs/dbraw/zinc/69/51/70/1099695170.db2.gz XZSMDURJKQIKRE-AWEZNQCLSA-N 1 0 321.896 3.370 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(O)c(Br)cc2O)C2(CC2)C1 ZINC001236763040 1099773877 /nfs/dbraw/zinc/77/38/77/1099773877.db2.gz UXRKAKYPYHVOBA-SECBINFHSA-N 1 0 312.207 3.235 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c1 ZINC001203683794 1099781259 /nfs/dbraw/zinc/78/12/59/1099781259.db2.gz CRVXELNSXJEIKG-ZDUSSCGKSA-N 1 0 303.402 3.125 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(CC)cc2O)C[C@@H]1C ZINC001236786868 1099782626 /nfs/dbraw/zinc/78/26/26/1099782626.db2.gz FAWRIPOIGATPCJ-HOCLYGCPSA-N 1 0 319.445 3.366 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001236784353 1099782823 /nfs/dbraw/zinc/78/28/23/1099782823.db2.gz VCBIDIPQCSLQSJ-OAHLLOKOSA-N 1 0 317.351 3.234 20 10 DGCDRO CCc1ccc(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c(O)c1 ZINC001236787016 1099782993 /nfs/dbraw/zinc/78/29/93/1099782993.db2.gz GTFRYXGIXBIHBG-KRWDZBQOSA-N 1 0 312.413 3.311 20 10 DGCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(CC)cc1O ZINC001236792326 1099787021 /nfs/dbraw/zinc/78/70/21/1099787021.db2.gz OZIJMIKALTWTRV-ZVZYQTTQSA-N 1 0 317.429 3.118 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001236796788 1099789953 /nfs/dbraw/zinc/78/99/53/1099789953.db2.gz RBFVHQXSBFSHMX-LBPRGKRZSA-N 1 0 315.244 3.369 20 10 DGCDRO COc1cc(O)c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(Cl)c1 ZINC001236797074 1099790244 /nfs/dbraw/zinc/79/02/44/1099790244.db2.gz BEYVUEJPEHCJHE-KCJUWKMLSA-N 1 0 303.736 3.141 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001236809644 1099798690 /nfs/dbraw/zinc/79/86/90/1099798690.db2.gz ZHQFTQZXVAMZGO-AWEZNQCLSA-N 1 0 303.324 3.278 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC(OC3CCC3)CC2)c(O)c1 ZINC001236807407 1099800024 /nfs/dbraw/zinc/80/00/24/1099800024.db2.gz GWBKDKKDYXNFMX-UHFFFAOYSA-N 1 0 305.418 3.243 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC001236814794 1099803278 /nfs/dbraw/zinc/80/32/78/1099803278.db2.gz WDKKFKKUFGOGJL-LJQANCHMSA-N 1 0 313.397 3.283 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCc3c(F)cccc3C2)c(O)c1 ZINC001236821919 1099805372 /nfs/dbraw/zinc/80/53/72/1099805372.db2.gz WPMNGKRTEMPVRY-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO COc1cc(C)c(CN2CC[NH+](C3CCCCC3)CC2)c(O)c1 ZINC001236819533 1099806324 /nfs/dbraw/zinc/80/63/24/1099806324.db2.gz WBENFNGDKSAISQ-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)[C@@H]1C ZINC001236830577 1099814485 /nfs/dbraw/zinc/81/44/85/1099814485.db2.gz BSHBTXUTNGWADL-CXAGYDPISA-N 1 0 313.397 3.319 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236835449 1099824257 /nfs/dbraw/zinc/82/42/57/1099824257.db2.gz LXHSARWLLINJFF-CQSZACIVSA-N 1 0 313.397 3.321 20 10 DGCDRO C[C@@H]1C[C@@H](F)CN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928352 1099880160 /nfs/dbraw/zinc/88/01/60/1099880160.db2.gz KTALKGDGRULLPS-TZMCWYRMSA-N 1 0 312.816 3.109 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236949542 1099888377 /nfs/dbraw/zinc/88/83/77/1099888377.db2.gz WHVNQTWKJSIEAD-UHFFFAOYSA-N 1 0 306.425 3.133 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001237040258 1099938823 /nfs/dbraw/zinc/93/88/23/1099938823.db2.gz BIVXAOSNRBEGQV-HZPDHXFCSA-N 1 0 303.402 3.125 20 10 DGCDRO CC(C)c1ccc(CN2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)c(O)c1 ZINC001237050071 1099944540 /nfs/dbraw/zinc/94/45/40/1099944540.db2.gz XFDFUXVXFNYDCV-KCQAQPDRSA-N 1 0 315.335 3.420 20 10 DGCDRO CCOCC[NH+](CCOCC)Cc1ccc(C(C)C)cc1O ZINC001237048462 1099945809 /nfs/dbraw/zinc/94/58/09/1099945809.db2.gz GOKIMGDLZJHRSB-UHFFFAOYSA-N 1 0 309.450 3.391 20 10 DGCDRO CN(Cc1c(O)ccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC001237078375 1099959270 /nfs/dbraw/zinc/95/92/70/1099959270.db2.gz QJRPLMJPDNIBPQ-UHFFFAOYSA-N 1 0 303.233 3.225 20 10 DGCDRO C[N@@H+](Cc1c([O-])ccc(Cl)c1Cl)CC1CC[NH+](C)CC1 ZINC001237082118 1099961018 /nfs/dbraw/zinc/96/10/18/1099961018.db2.gz PZJBKMSEWLXICJ-UHFFFAOYSA-N 1 0 317.260 3.473 20 10 DGCDRO C[N@@H+]1CCC[C@H]2CN(Cc3c(O)ccc(Cl)c3Cl)C[C@@H]21 ZINC001237084617 1099962442 /nfs/dbraw/zinc/96/24/42/1099962442.db2.gz MFKHFLIYQXIIGS-GWCFXTLKSA-N 1 0 315.244 3.225 20 10 DGCDRO C[NH+]1CC2(C1)CC[NH+](Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237084894 1099965378 /nfs/dbraw/zinc/96/53/78/1099965378.db2.gz QMXQYSOLUPBCCO-UHFFFAOYSA-N 1 0 315.244 3.227 20 10 DGCDRO C[C@]1(CF)CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237119320 1099979469 /nfs/dbraw/zinc/97/94/69/1099979469.db2.gz DXIYMXLEJBLCAC-CYBMUJFWSA-N 1 0 307.287 3.472 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CC(F)(F)CC[C@@H]2C[NH3+])c1 ZINC001237130315 1099986480 /nfs/dbraw/zinc/98/64/80/1099986480.db2.gz BTSUEBWMUYHJSF-CQSZACIVSA-N 1 0 312.404 3.248 20 10 DGCDRO CCCC[NH+]1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237139851 1099990247 /nfs/dbraw/zinc/99/02/47/1099990247.db2.gz QDCRQKVIWSZIHM-UHFFFAOYSA-N 1 0 316.367 3.329 20 10 DGCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141502 1099991469 /nfs/dbraw/zinc/99/14/69/1099991469.db2.gz XUZFKALSFDAGTO-AWEZNQCLSA-N 1 0 316.367 3.327 20 10 DGCDRO C[N@H+](CCc1cccnc1)Cc1cc(C(F)(F)F)ccc1O ZINC001237141553 1099993036 /nfs/dbraw/zinc/99/30/36/1099993036.db2.gz YDZFLHZVKLUVLT-UHFFFAOYSA-N 1 0 310.319 3.481 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001237142288 1099994083 /nfs/dbraw/zinc/99/40/83/1099994083.db2.gz GJWOWIBYKRUFNT-YGRLFVJLSA-N 1 0 301.308 3.022 20 10 DGCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237147344 1099996174 /nfs/dbraw/zinc/99/61/74/1099996174.db2.gz ZYRNEJCZWNXRQA-CQSZACIVSA-N 1 0 316.367 3.326 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCNC2=CCCC[C@H]21 ZINC001237230396 1100042319 /nfs/dbraw/zinc/04/23/19/1100042319.db2.gz SEQBSLNWINCNCW-CQSZACIVSA-N 1 0 312.335 3.253 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)NCCc1ccccc12 ZINC001237300497 1100069441 /nfs/dbraw/zinc/06/94/41/1100069441.db2.gz MRQRSAFSGMJYSL-UHFFFAOYSA-N 1 0 322.452 3.338 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001237480946 1100137634 /nfs/dbraw/zinc/13/76/34/1100137634.db2.gz BCSAJMWRCFROAY-ZDUSSCGKSA-N 1 0 307.390 3.227 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001237485592 1100139901 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CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)[C@@H]1C ZINC001238071385 1100350926 /nfs/dbraw/zinc/35/09/26/1100350926.db2.gz WCEOPPRZBMRIHN-DOMZBBRYSA-N 1 0 309.381 3.003 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(F)c(OC)c1 ZINC001238464176 1100451045 /nfs/dbraw/zinc/45/10/45/1100451045.db2.gz ZVFSBUUSFJBVMN-UHFFFAOYSA-N 1 0 317.408 3.317 20 10 DGCDRO CC1(C)CO[C@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC001192012753 1100561292 /nfs/dbraw/zinc/56/12/92/1100561292.db2.gz JXWSEVNAYDYOAR-IRXDYDNUSA-N 1 0 319.445 3.188 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccccc2F)cc1 ZINC001195790693 1101202915 /nfs/dbraw/zinc/20/29/15/1101202915.db2.gz VSJOUEZQEPNGIV-UHFFFAOYSA-N 1 0 302.393 3.403 20 10 DGCDRO c1ccc(N2CC=C(c3c[nH+]ccc3N3CCOCC3)CC2)cc1 ZINC001241354576 1101397845 /nfs/dbraw/zinc/39/78/45/1101397845.db2.gz GKZICMMBKUGAFU-UHFFFAOYSA-N 1 0 321.424 3.212 20 10 DGCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001205845128 1101935204 /nfs/dbraw/zinc/93/52/04/1101935204.db2.gz ZGACASNWYDAUDT-ONGXEEELSA-N 1 0 303.233 3.258 20 10 DGCDRO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(C)c2O)C1=O ZINC001273770563 1101956368 /nfs/dbraw/zinc/95/63/68/1101956368.db2.gz TYLPAUMLTDXOHH-IBGZPJMESA-N 1 0 316.445 3.068 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCOc2ccccc2)cc1F ZINC001198927386 1102029674 /nfs/dbraw/zinc/02/96/74/1102029674.db2.gz OJKDEWUAJZYJSF-UHFFFAOYSA-N 1 0 306.356 3.199 20 10 DGCDRO CCN1CCC[C@H]1C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001198908562 1102033426 /nfs/dbraw/zinc/03/34/26/1102033426.db2.gz SSHRWDNFAKIYGQ-HNNXBMFYSA-N 1 0 320.477 3.272 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)ccc1N1CCOCC1 ZINC001199412045 1102135261 /nfs/dbraw/zinc/13/52/61/1102135261.db2.gz FRJIDCJXOCEIBY-QLPKVWCKSA-N 1 0 318.436 3.331 20 10 DGCDRO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001199821871 1102225531 /nfs/dbraw/zinc/22/55/31/1102225531.db2.gz BAKMXZTZHBJILG-SJLPKXTDSA-N 1 0 302.462 3.364 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cccc4c[nH]nc43)ccc21 ZINC001199823090 1102226160 /nfs/dbraw/zinc/22/61/60/1102226160.db2.gz NSLWUJBWGAOTBG-UHFFFAOYSA-N 1 0 306.413 3.235 20 10 DGCDRO CCCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001488893336 1103192199 /nfs/dbraw/zinc/19/21/99/1103192199.db2.gz SFDGTZDOXRCTQQ-DLBZAZTESA-N 1 0 318.461 3.178 20 10 DGCDRO OC1(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)CC1 ZINC001326494889 1103341837 /nfs/dbraw/zinc/34/18/37/1103341837.db2.gz USBGTPSWAHJLLI-UHFFFAOYSA-N 1 0 300.446 3.024 20 10 DGCDRO CCn1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)c1=O ZINC001326722210 1103418706 /nfs/dbraw/zinc/41/87/06/1103418706.db2.gz WMIOJSBRFGEBGV-DZGCQCFKSA-N 1 0 312.413 3.220 20 10 DGCDRO c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CN2 ZINC001327240400 1103596872 /nfs/dbraw/zinc/59/68/72/1103596872.db2.gz LJDYBTCGSBSDOD-GOSISDBHSA-N 1 0 307.441 3.413 20 10 DGCDRO COc1cccc(C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)c1O ZINC001327419045 1103636253 /nfs/dbraw/zinc/63/62/53/1103636253.db2.gz CWQHMIJKGCXSKG-NSHDSACASA-N 1 0 318.442 3.272 20 10 DGCDRO c1ccc2c(c1)CCN[C@H]2C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001327417177 1103636654 /nfs/dbraw/zinc/63/66/54/1103636654.db2.gz ZMYNAVYTKRSNHX-NRFANRHFSA-N 1 0 321.468 3.263 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc(F)c1N1CCOCC1 ZINC001328759724 1104059109 /nfs/dbraw/zinc/05/91/09/1104059109.db2.gz YVMFOZSYZCRZJC-JKIFEVAISA-N 1 0 322.399 3.080 20 10 DGCDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cccc1O ZINC001274302193 1104346763 /nfs/dbraw/zinc/34/67/63/1104346763.db2.gz XVJKVGHNZWLDJI-DJIMGWMZSA-N 1 0 316.445 3.064 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c(O)c1 ZINC001330641737 1104602791 /nfs/dbraw/zinc/60/27/91/1104602791.db2.gz YZORURWETBOGFV-UHFFFAOYSA-N 1 0 305.809 3.388 20 10 DGCDRO CCn1c2cc(C)ccc2nc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001247043901 1104785136 /nfs/dbraw/zinc/78/51/36/1104785136.db2.gz ALDDSJIDHYUHNA-UHFFFAOYSA-N 1 0 320.440 3.441 20 10 DGCDRO CN1CC2(C1)CCC[N@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001275798434 1104912367 /nfs/dbraw/zinc/91/23/67/1104912367.db2.gz HAIGRFKLOHCQQO-UHFFFAOYSA-N 1 0 302.462 3.217 20 10 DGCDRO Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c1O ZINC001276081030 1105010309 /nfs/dbraw/zinc/01/03/09/1105010309.db2.gz ZXWLWTWPPNJJTR-HDICACEKSA-N 1 0 300.446 3.292 20 10 DGCDRO CN1C[C@@H]2CC[N@H+](Cc3cccc(-c4ccccc4)c3O)[C@@H]2C1 ZINC001276139807 1105029287 /nfs/dbraw/zinc/02/92/87/1105029287.db2.gz CXTXMPVISLSYGS-QFBILLFUSA-N 1 0 308.425 3.195 20 10 DGCDRO Cc1noc2ccc(C[N@@H+]3CCCc4cc(O)c(O)cc4C3)cc12 ZINC001248708383 1105148061 /nfs/dbraw/zinc/14/80/61/1105148061.db2.gz FWRRFBIOQMJAAN-UHFFFAOYSA-N 1 0 324.380 3.496 20 10 DGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)cc1Cl ZINC001248879530 1105184661 /nfs/dbraw/zinc/18/46/61/1105184661.db2.gz AVSPABVBCSHVBR-UKRRQHHQSA-N 1 0 315.816 3.248 20 10 DGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cc1Cl ZINC001248879529 1105184944 /nfs/dbraw/zinc/18/49/44/1105184944.db2.gz AVSPABVBCSHVBR-HIFRSBDPSA-N 1 0 315.816 3.248 20 10 DGCDRO COC(=O)Cc1ccc(C[NH+]2CCC(C(C)(C)C)CC2)c(O)c1 ZINC001249173803 1105239742 /nfs/dbraw/zinc/23/97/42/1105239742.db2.gz WUBAXMMXSRXDGF-UHFFFAOYSA-N 1 0 319.445 3.366 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCCC[C@@](C)(O)C3)ccc2O1 ZINC001249224214 1105249972 /nfs/dbraw/zinc/24/99/72/1105249972.db2.gz VCYNTVBTARTJCP-LJQANCHMSA-N 1 0 317.429 3.313 20 10 DGCDRO CC[N@@H+]1CCCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249224372 1105250141 /nfs/dbraw/zinc/25/01/41/1105250141.db2.gz XZXQJSFTSFXVTO-UHFFFAOYSA-N 1 0 316.445 3.104 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@]34CCOC4)ccc2O1 ZINC001249251894 1105256595 /nfs/dbraw/zinc/25/65/95/1105256595.db2.gz BDWWSCQSLPTQMB-LJQANCHMSA-N 1 0 315.413 3.331 20 10 DGCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249251872 1105256818 /nfs/dbraw/zinc/25/68/18/1105256818.db2.gz AWQOAJLJMPVDRE-CQSZACIVSA-N 1 0 315.413 3.377 20 10 DGCDRO CCOC(=O)CCCOc1ccc(C[N@H+](C)C(C)(C)C)c(O)c1 ZINC001249734197 1105368322 /nfs/dbraw/zinc/36/83/22/1105368322.db2.gz UFGWUKKNSDTHNI-UHFFFAOYSA-N 1 0 323.433 3.345 20 10 DGCDRO CN(C)c1cc(F)cc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001249957546 1105415140 /nfs/dbraw/zinc/41/51/40/1105415140.db2.gz CQVHTVJSPCBNIF-UHFFFAOYSA-N 1 0 300.377 3.156 20 10 DGCDRO Cc1cc(C[N@H+](C)Cc2ccncc2)c(O)cc1Br ZINC001250120368 1105445359 /nfs/dbraw/zinc/44/53/59/1105445359.db2.gz BTUKYNXJJCVSBW-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO c1cc(OCC[NH2+]Cc2ccc3c(c2)CCO3)cc2c1CCC2 ZINC001251727238 1105687658 /nfs/dbraw/zinc/68/76/58/1105687658.db2.gz PTFWRPUCULUBBA-UHFFFAOYSA-N 1 0 309.409 3.279 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@H](O)COC(C)C ZINC001252702106 1105818561 /nfs/dbraw/zinc/81/85/61/1105818561.db2.gz KIQMJAZQROMMJL-KBXCAEBGSA-N 1 0 321.461 3.008 20 10 DGCDRO CO[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C)C(F)(F)F ZINC001254729755 1106136552 /nfs/dbraw/zinc/13/65/52/1106136552.db2.gz LYSIGILZGIIIJR-CKYFFXLPSA-N 1 0 303.324 3.416 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254963015 1106160603 /nfs/dbraw/zinc/16/06/03/1106160603.db2.gz GIPHTCKAFXMDPT-HOTGVXAUSA-N 1 0 300.446 3.332 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254963017 1106160708 /nfs/dbraw/zinc/16/07/08/1106160708.db2.gz GIPHTCKAFXMDPT-VQFNDLOPSA-N 1 0 300.446 3.332 20 10 DGCDRO CCOC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001255354278 1106230912 /nfs/dbraw/zinc/23/09/12/1106230912.db2.gz SEYTWSLKOBIMPK-HOTGVXAUSA-N 1 0 305.418 3.215 20 10 DGCDRO CCOC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001255353877 1106231073 /nfs/dbraw/zinc/23/10/73/1106231073.db2.gz QADGLMYITJHCSI-GJZGRUSLSA-N 1 0 305.418 3.221 20 10 DGCDRO Oc1cccc2c1CN([C@@H]1CCC[N@@H+](C3CCCC3)C1)CC2 ZINC001256923253 1106513043 /nfs/dbraw/zinc/51/30/43/1106513043.db2.gz QAQPCUBAUNPGDM-QGZVFWFLSA-N 1 0 300.446 3.157 20 10 DGCDRO COc1ccc(N2CC[NH+](C3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1 ZINC001257106494 1106540336 /nfs/dbraw/zinc/54/03/36/1106540336.db2.gz QSUNVVOBTSLWPU-HZPDHXFCSA-N 1 0 318.461 3.082 20 10 DGCDRO Clc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CO2 ZINC001257948855 1106648778 /nfs/dbraw/zinc/64/87/78/1106648778.db2.gz RWCZQSWQIDJVOG-INIZCTEOSA-N 1 0 315.800 3.368 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H](C)Cc3ccco3)CC2)cc1 ZINC001258197355 1106694023 /nfs/dbraw/zinc/69/40/23/1106694023.db2.gz GDXSGVNQTMGETH-MRXNPFEDSA-N 1 0 314.429 3.432 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H](C)Cc3ccco3)CC2)c(C)c1 ZINC001258197341 1106694065 /nfs/dbraw/zinc/69/40/65/1106694065.db2.gz FUSNPZNTYIAONW-MRXNPFEDSA-N 1 0 314.429 3.350 20 10 DGCDRO O=C1CC[C@@H]([NH2+]Cc2ccccc2O)CCN1Cc1ccccc1 ZINC001258569329 1106827307 /nfs/dbraw/zinc/82/73/07/1106827307.db2.gz UBHDAFLWYDPJSK-GOSISDBHSA-N 1 0 324.424 3.063 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC001320130707 1106890489 /nfs/dbraw/zinc/89/04/89/1106890489.db2.gz AXVXCIXOBXBGKV-MMMWYMCRSA-N 1 0 317.429 3.177 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(OCC(F)F)ccn1)c1ccccc1O ZINC001320137667 1106894638 /nfs/dbraw/zinc/89/46/38/1106894638.db2.gz YGHXFWGVKQUKLE-NSHDSACASA-N 1 0 308.328 3.282 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCO[C@H]1CCOC1 ZINC001320247330 1106938072 /nfs/dbraw/zinc/93/80/72/1106938072.db2.gz QLKMGXGRZOPEJQ-ILXRZTDVSA-N 1 0 305.418 3.034 20 10 DGCDRO CCOc1cccc(C[N@H+](Cc2ccccc2)[C@H](C)CO)c1O ZINC001320508870 1107034301 /nfs/dbraw/zinc/03/43/01/1107034301.db2.gz JLEJELFDJMIYML-OAHLLOKOSA-N 1 0 315.413 3.174 20 10 DGCDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321185255 1107277470 /nfs/dbraw/zinc/27/74/70/1107277470.db2.gz PZWRHAFKVUSIHC-WBVHZDCISA-N 1 0 319.468 3.103 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(C)n(C)c1=O ZINC001321348818 1107328982 /nfs/dbraw/zinc/32/89/82/1107328982.db2.gz SUNDKZCVQVMJIM-SWLSCSKDSA-N 1 0 312.413 3.046 20 10 DGCDRO C[C@@H](CO)[N@@H+](Cc1ccc(N2CCCC2)cc1)CC1CCC1 ZINC001261177210 1107356314 /nfs/dbraw/zinc/35/63/14/1107356314.db2.gz ODKWIRNDAVDPSY-INIZCTEOSA-N 1 0 302.462 3.270 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001261790751 1107530528 /nfs/dbraw/zinc/53/05/28/1107530528.db2.gz UEPALRBXGMRBHA-VHDGCEQUSA-N 1 0 315.413 3.490 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC3(CC2)COCCO3)cc1C(C)C ZINC001262053856 1107595580 /nfs/dbraw/zinc/59/55/80/1107595580.db2.gz MSWZMFTXBGMGRF-UHFFFAOYSA-N 1 0 319.445 3.205 20 10 DGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001263111219 1107948020 /nfs/dbraw/zinc/94/80/20/1107948020.db2.gz WOBFASIDRKPXBD-ZTFGCOKTSA-N 1 0 324.424 3.077 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCNC(=O)C(C)C ZINC001323828651 1108098832 /nfs/dbraw/zinc/09/88/32/1108098832.db2.gz CCEXVOFHXGCOSZ-UONOGXRCSA-N 1 0 304.434 3.001 20 10 DGCDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001324199697 1108203885 /nfs/dbraw/zinc/20/38/85/1108203885.db2.gz UYDLEIJPDLBIHJ-IBGZPJMESA-N 1 0 302.462 3.127 20 10 DGCDRO COC(=O)C[N@@H+](Cc1c(O)ccc2ccccc21)CC(C)C ZINC001319081831 1108306211 /nfs/dbraw/zinc/30/62/11/1108306211.db2.gz LHRBEKHVFJSHCK-UHFFFAOYSA-N 1 0 301.386 3.176 20 10 DGCDRO CO[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC001324541364 1108334720 /nfs/dbraw/zinc/33/47/20/1108334720.db2.gz JYLQWXBMHXNUKM-DOTOQJQBSA-N 1 0 301.361 3.496 20 10 DGCDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001324976939 1108545482 /nfs/dbraw/zinc/54/54/82/1108545482.db2.gz UKMVBEDRTVUMKV-GXTWGEPZSA-N 1 0 316.367 3.429 20 10 DGCDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001325131828 1108580750 /nfs/dbraw/zinc/58/07/50/1108580750.db2.gz IVHFNIFKZFFWGV-SFHVURJKSA-N 1 0 302.462 3.270 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC001319932827 1108699839 /nfs/dbraw/zinc/69/98/39/1108699839.db2.gz VKSOMTJNMBKGQZ-KRWDZBQOSA-N 1 0 300.446 3.288 20 10 DGCDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001319947493 1108708980 /nfs/dbraw/zinc/70/89/80/1108708980.db2.gz UEDXUDOUTXWNFG-ZDUSSCGKSA-N 1 0 319.836 3.234 20 10 DGCDRO CCO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000701661679 1108977044 /nfs/dbraw/zinc/97/70/44/1108977044.db2.gz OYCVQCVZRCVHGP-CYBMUJFWSA-N 1 0 314.223 3.074 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC(C)(C)C)cc1C ZINC001283572657 1109655639 /nfs/dbraw/zinc/65/56/39/1109655639.db2.gz NLJBJOGRQMDSDE-OAHLLOKOSA-N 1 0 320.477 3.376 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)ccc1N(C)C ZINC001307868603 1111348579 /nfs/dbraw/zinc/34/85/79/1111348579.db2.gz WQJKYDKGONMTQO-NRFANRHFSA-N 1 0 324.468 3.327 20 10 DGCDRO COc1ccc(N2CC[NH+](CCCC3CC3)CC2)c(OC)c1 ZINC001308017132 1111366291 /nfs/dbraw/zinc/36/62/91/1111366291.db2.gz SMYRRHQABDPWBC-UHFFFAOYSA-N 1 0 304.434 3.016 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC001308145960 1111383899 /nfs/dbraw/zinc/38/38/99/1111383899.db2.gz RXTKQKOSMZJYAF-QZTJIDSGSA-N 1 0 302.462 3.391 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]CC3CCCCC3)cc2F)CC1 ZINC001308179929 1111392054 /nfs/dbraw/zinc/39/20/54/1111392054.db2.gz RLINWRZQVDXKMP-UHFFFAOYSA-N 1 0 319.468 3.247 20 10 DGCDRO Cc1cccn2c(C[NH2+]Cc3ccc(N(C)C)cc3C)cnc12 ZINC001308262369 1111406882 /nfs/dbraw/zinc/40/68/82/1111406882.db2.gz SOGBVYASZDCLMK-UHFFFAOYSA-N 1 0 308.429 3.307 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccncc2)cc1F ZINC001308325875 1111416979 /nfs/dbraw/zinc/41/69/79/1111416979.db2.gz VBDZBZWALIJGBW-UHFFFAOYSA-N 1 0 301.409 3.399 20 10 DGCDRO c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CO2 ZINC001308382827 1111423524 /nfs/dbraw/zinc/42/35/24/1111423524.db2.gz BPDQCARUKURVKB-GOSISDBHSA-N 1 0 309.409 3.495 20 10 DGCDRO Oc1cccc(Cl)c1CNc1[nH]c2cc3c(cc2[nH+]1)OCO3 ZINC001308508299 1111436014 /nfs/dbraw/zinc/43/60/14/1111436014.db2.gz WBIFYDHFDRZVEF-UHFFFAOYSA-N 1 0 317.732 3.263 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3oc(=O)[nH]c3c2)cc1F ZINC001308512971 1111436779 /nfs/dbraw/zinc/43/67/79/1111436779.db2.gz LKVOUIBZWSTRAB-UHFFFAOYSA-N 1 0 315.348 3.028 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)cc1 ZINC001308531335 1111438825 /nfs/dbraw/zinc/43/88/25/1111438825.db2.gz TWMHYRFZPDWPMM-IBGZPJMESA-N 1 0 320.477 3.207 20 10 DGCDRO Fc1cccc(OCCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001308544714 1111440754 /nfs/dbraw/zinc/44/07/54/1111440754.db2.gz YUARDZBEFLKEBE-UHFFFAOYSA-N 1 0 301.361 3.319 20 10 DGCDRO CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001308556239 1111444008 /nfs/dbraw/zinc/44/40/08/1111444008.db2.gz XVPQTLGBNPDSTN-NSHDSACASA-N 1 0 302.821 3.395 20 10 DGCDRO C[C@@H]1C[NH+](Cc2c(O)cccc2Br)C[C@@H](C)S1 ZINC001308589820 1111448508 /nfs/dbraw/zinc/44/85/08/1111448508.db2.gz KULCRZKYQKUJAU-NXEZZACHSA-N 1 0 316.264 3.481 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)C[C@H](C)c2nccs2)c(O)c1 ZINC001308636100 1111454115 /nfs/dbraw/zinc/45/41/15/1111454115.db2.gz YKTVJWXYKTXBIC-LBPRGKRZSA-N 1 0 306.431 3.401 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC001308687742 1111461123 /nfs/dbraw/zinc/46/11/23/1111461123.db2.gz YDGLCUDLNXRCDI-IBGZPJMESA-N 1 0 307.397 3.313 20 10 DGCDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC001308755325 1111470963 /nfs/dbraw/zinc/47/09/63/1111470963.db2.gz JVDHHTDRCWTDPM-UHFFFAOYSA-N 1 0 300.358 3.169 20 10 DGCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1)C(N)=O ZINC001308773980 1111473122 /nfs/dbraw/zinc/47/31/22/1111473122.db2.gz QGDDFKDUYBYDRK-LBPRGKRZSA-N 1 0 324.852 3.159 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC001308877862 1111487827 /nfs/dbraw/zinc/48/78/27/1111487827.db2.gz YBZGWAJFIXFRSN-VDGAXYAQSA-N 1 0 314.473 3.316 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c(O)c1 ZINC001308890107 1111488991 /nfs/dbraw/zinc/48/89/91/1111488991.db2.gz VJHPOYZUDZNNMM-HIFRSBDPSA-N 1 0 320.433 3.188 20 10 DGCDRO Cc1ccc(C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)c(O)c1 ZINC001308920315 1111494573 /nfs/dbraw/zinc/49/45/73/1111494573.db2.gz JXYZHAMBFDUIHL-UHFFFAOYSA-N 1 0 322.449 3.484 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC23CCC3)N(C)C)cc1 ZINC001308973078 1111502546 /nfs/dbraw/zinc/50/25/46/1111502546.db2.gz UMZZGSJUFWOENY-ROUUACIJSA-N 1 0 301.478 3.278 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000079064711 185152537 /nfs/dbraw/zinc/15/25/37/185152537.db2.gz VCNVUAOIRISDAC-QGZVFWFLSA-N 1 0 304.821 3.229 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000374527101 529672488 /nfs/dbraw/zinc/67/24/88/529672488.db2.gz NUMPGFNRBXNERQ-YTQUADARSA-N 1 0 318.461 3.131 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000106856774 432022972 /nfs/dbraw/zinc/02/29/72/432022972.db2.gz PQZMJKQPOACTBB-HNNXBMFYSA-N 1 0 320.433 3.108 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000164964351 432052511 /nfs/dbraw/zinc/05/25/11/432052511.db2.gz HJVNWVRJQHKTRN-HNNXBMFYSA-N 1 0 311.429 3.432 20 10 DGCDRO CCOCCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000165098586 432053605 /nfs/dbraw/zinc/05/36/05/432053605.db2.gz FHZBCIGGDDFBES-HNNXBMFYSA-N 1 0 324.440 3.130 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000179374497 432055489 /nfs/dbraw/zinc/05/54/89/432055489.db2.gz SGQWENLXLXHHPV-KRWDZBQOSA-N 1 0 318.461 3.118 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000134787602 432085684 /nfs/dbraw/zinc/08/56/84/432085684.db2.gz PBZSVVNTXDSMDX-SCTFDZSOSA-N 1 0 303.402 3.009 20 10 DGCDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000268569373 432104511 /nfs/dbraw/zinc/10/45/11/432104511.db2.gz PZPUEAUVMUKOMM-GOSISDBHSA-N 1 0 324.424 3.160 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000268949430 299376704 /nfs/dbraw/zinc/37/67/04/299376704.db2.gz VFIMCZSFNPLOGK-USXIJHARSA-N 1 0 317.477 3.050 20 10 DGCDRO C[C@H](c1cccnc1)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000093413077 193245902 /nfs/dbraw/zinc/24/59/02/193245902.db2.gz VJQVJWPHKKCARB-QGZVFWFLSA-N 1 0 324.472 3.026 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000019963689 182170747 /nfs/dbraw/zinc/17/07/47/182170747.db2.gz VOHFTGKOOKSNFN-AAEUAGOBSA-N 1 0 314.223 3.374 20 10 DGCDRO CC[C@@H]([NH2+]CCCOC)c1cc(Br)ccc1O ZINC000020142517 182191480 /nfs/dbraw/zinc/19/14/80/182191480.db2.gz FYEKROIHRYDJGM-GFCCVEGCSA-N 1 0 302.212 3.232 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](c2cccs2)N(C)C)cc1 ZINC000021795471 182290063 /nfs/dbraw/zinc/29/00/63/182290063.db2.gz VWBBCWRRTPWHHM-MRXNPFEDSA-N 1 0 303.475 3.207 20 10 DGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000268945012 432148031 /nfs/dbraw/zinc/14/80/31/432148031.db2.gz BBDYZGCQNUIEBW-SUMWQHHRSA-N 1 0 304.459 3.372 20 10 DGCDRO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273421135 284606884 /nfs/dbraw/zinc/60/68/84/284606884.db2.gz SCXYNUAQPPJMIV-ZIAGYGMSSA-N 1 0 323.437 3.462 20 10 DGCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000268945011 432148143 /nfs/dbraw/zinc/14/81/43/432148143.db2.gz BBDYZGCQNUIEBW-GUYCJALGSA-N 1 0 304.459 3.372 20 10 DGCDRO O=C1CCCN1c1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296200187 284793476 /nfs/dbraw/zinc/79/34/76/284793476.db2.gz YYJUWCNQDDOLKG-KRWDZBQOSA-N 1 0 322.408 3.296 20 10 DGCDRO C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000183491156 533380071 /nfs/dbraw/zinc/38/00/71/533380071.db2.gz JFZPBACBMRFGBD-CYBMUJFWSA-N 1 0 308.422 3.300 20 10 DGCDRO COCC[C@H]([NH2+]Cc1cc(OC)ccc1O)c1ccc(C)o1 ZINC000272551596 130040689 /nfs/dbraw/zinc/04/06/89/130040689.db2.gz DBMWKPRJRXDBJJ-HNNXBMFYSA-N 1 0 305.374 3.170 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272742553 130059727 /nfs/dbraw/zinc/05/97/27/130059727.db2.gz BFSUCUKWTQXJHO-AEFFLSMTSA-N 1 0 315.505 3.495 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)c(O)c1C ZINC000273411169 130118518 /nfs/dbraw/zinc/11/85/18/130118518.db2.gz PRAAEHSBJFXYMW-JKSUJKDBSA-N 1 0 307.434 3.245 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000273513182 130131297 /nfs/dbraw/zinc/13/12/97/130131297.db2.gz SEFOJZSQEYRDAD-CJNGLKHVSA-N 1 0 303.377 3.094 20 10 DGCDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273530764 130133406 /nfs/dbraw/zinc/13/34/06/130133406.db2.gz WECUMMXSFVSHDG-MEBBXXQBSA-N 1 0 317.351 3.235 20 10 DGCDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273530761 130133661 /nfs/dbraw/zinc/13/36/61/130133661.db2.gz WECUMMXSFVSHDG-BONVTDFDSA-N 1 0 317.351 3.235 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1cc(F)ccc1O ZINC000273533265 130134102 /nfs/dbraw/zinc/13/41/02/130134102.db2.gz WUXVQHMWWYFPGO-DINDLPBHSA-N 1 0 307.340 3.443 20 10 DGCDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273545496 130135058 /nfs/dbraw/zinc/13/50/58/130135058.db2.gz ZHSJGCKUEKWUSO-GHMZBOCLSA-N 1 0 324.222 3.091 20 10 DGCDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273545440 130135744 /nfs/dbraw/zinc/13/57/44/130135744.db2.gz ZGSZOZNNZUTZMU-MNOVXSKESA-N 1 0 316.239 3.214 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c1 ZINC000273560540 130136771 /nfs/dbraw/zinc/13/67/71/130136771.db2.gz IBRGKFVXBNLOBX-CQSZACIVSA-N 1 0 304.434 3.142 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC000273596480 130141930 /nfs/dbraw/zinc/14/19/30/130141930.db2.gz QWXVJDMCNWVVLW-SNVBAGLBSA-N 1 0 320.320 3.299 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c1O ZINC000273723022 130158725 /nfs/dbraw/zinc/15/87/25/130158725.db2.gz ISHUPWOPHZTTGZ-NWDGAFQWSA-N 1 0 313.825 3.349 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c1O ZINC000273723019 130159190 /nfs/dbraw/zinc/15/91/90/130159190.db2.gz ISHUPWOPHZTTGZ-NEPJUHHUSA-N 1 0 313.825 3.349 20 10 DGCDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC000276229295 130458909 /nfs/dbraw/zinc/45/89/09/130458909.db2.gz MXPQSUFKXSMPTA-NSHDSACASA-N 1 0 322.346 3.320 20 10 DGCDRO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000281721256 130880796 /nfs/dbraw/zinc/88/07/96/130880796.db2.gz UOQFAPJLAZNCAC-FUHWJXTLSA-N 1 0 320.477 3.115 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c(O)c1 ZINC000285304482 131156050 /nfs/dbraw/zinc/15/60/50/131156050.db2.gz SGAZFFRMOZDUSL-HUUCEWRRSA-N 1 0 305.418 3.345 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c(O)c1 ZINC000285304487 131156132 /nfs/dbraw/zinc/15/61/32/131156132.db2.gz SGAZFFRMOZDUSL-LSDHHAIUSA-N 1 0 305.418 3.345 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c(O)c1 ZINC000285304472 131156598 /nfs/dbraw/zinc/15/65/98/131156598.db2.gz SGAZFFRMOZDUSL-CABCVRRESA-N 1 0 305.418 3.345 20 10 DGCDRO CC[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000287677335 131294140 /nfs/dbraw/zinc/29/41/40/131294140.db2.gz MLKVMVIBZGABNX-SWLSCSKDSA-N 1 0 313.825 3.282 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289220302 131366691 /nfs/dbraw/zinc/36/66/91/131366691.db2.gz CLNQQGHMJJMSLD-ZDUSSCGKSA-N 1 0 323.742 3.325 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@H](O)c2ccccc2)c1O ZINC000289396971 131383357 /nfs/dbraw/zinc/38/33/57/131383357.db2.gz FWAXWKCCOBSJAG-HNNXBMFYSA-N 1 0 321.804 3.268 20 10 DGCDRO CCn1nc(C[NH2+]Cc2cccc(OC)c2O)c2ccccc21 ZINC000289430373 131385614 /nfs/dbraw/zinc/38/56/14/131385614.db2.gz KONRDUVWDNRPCV-UHFFFAOYSA-N 1 0 311.385 3.060 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000294664463 131851701 /nfs/dbraw/zinc/85/17/01/131851701.db2.gz ABHUGWVICPOVJK-CYBMUJFWSA-N 1 0 303.324 3.069 20 10 DGCDRO COC1(CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCC1 ZINC000292909719 292106893 /nfs/dbraw/zinc/10/68/93/292106893.db2.gz WWSFWZIWKYRVLK-KRWDZBQOSA-N 1 0 319.445 3.332 20 10 DGCDRO Cn1cc(C[C@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)cn1 ZINC000083113896 401110549 /nfs/dbraw/zinc/11/05/49/401110549.db2.gz KFFYJXOBQJWASQ-OAHLLOKOSA-N 1 0 321.424 3.344 20 10 DGCDRO O=C(NCc1ccccc1O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000269138810 432153695 /nfs/dbraw/zinc/15/36/95/432153695.db2.gz LBLQKAUKVXKJDT-GOSISDBHSA-N 1 0 324.424 3.063 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3sc(C)nc3C)CC2)cc1 ZINC000172730144 432232343 /nfs/dbraw/zinc/23/23/43/432232343.db2.gz AOIKCJKJVKSUDH-UHFFFAOYSA-N 1 0 317.458 3.091 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151423125 432246328 /nfs/dbraw/zinc/24/63/28/432246328.db2.gz QCQWZRCUAGRHDU-DZGCQCFKSA-N 1 0 313.850 3.190 20 10 DGCDRO CCCC[C@@H](COC)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000157415583 275981958 /nfs/dbraw/zinc/98/19/58/275981958.db2.gz YTUQKVUYYQLPBC-KRWDZBQOSA-N 1 0 320.477 3.459 20 10 DGCDRO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000111236475 431201216 /nfs/dbraw/zinc/20/12/16/431201216.db2.gz LQJMEKKHOCLYFE-HNNXBMFYSA-N 1 0 312.413 3.266 20 10 DGCDRO C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccccc1O ZINC000111235289 431199118 /nfs/dbraw/zinc/19/91/18/431199118.db2.gz VNJBQOYCMVUHFC-FQEVSTJZSA-N 1 0 324.424 3.092 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cccc(COC)c2)c1O ZINC000077289173 431582932 /nfs/dbraw/zinc/58/29/32/431582932.db2.gz DWBISNLNOZESKH-UHFFFAOYSA-N 1 0 301.386 3.227 20 10 DGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCCO1 ZINC000295114568 280451035 /nfs/dbraw/zinc/45/10/35/280451035.db2.gz VPIQYGJKCYYMTI-GOSISDBHSA-N 1 0 313.397 3.240 20 10 DGCDRO COCc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000121418585 431784600 /nfs/dbraw/zinc/78/46/00/431784600.db2.gz GOYOVSPSAXQIGJ-ZDUSSCGKSA-N 1 0 301.386 3.398 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000123084886 431854465 /nfs/dbraw/zinc/85/44/65/431854465.db2.gz SHIUGZOTDFKDMV-UHFFFAOYSA-N 1 0 324.424 3.095 20 10 DGCDRO CCOC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093838580 431917653 /nfs/dbraw/zinc/91/76/53/431917653.db2.gz RTMICBHYVJAWLB-LLVKDONJSA-N 1 0 314.223 3.013 20 10 DGCDRO CSC1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCOCC1 ZINC000090113059 431890446 /nfs/dbraw/zinc/89/04/46/431890446.db2.gz MTOBEUQAUIYTDV-AWEZNQCLSA-N 1 0 308.491 3.315 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1 ZINC000090802179 431895838 /nfs/dbraw/zinc/89/58/38/431895838.db2.gz IETGWHRXZMDIKR-NVXWUHKLSA-N 1 0 310.445 3.077 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090846198 431895995 /nfs/dbraw/zinc/89/59/95/431895995.db2.gz QVCQOQWOIZCCCP-AWEZNQCLSA-N 1 0 314.477 3.462 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)OCC)C2)c(O)c1 ZINC000125810842 431936014 /nfs/dbraw/zinc/93/60/14/431936014.db2.gz ZECBYIOQWQBNJC-HIFRSBDPSA-N 1 0 321.417 3.002 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000057752407 431993337 /nfs/dbraw/zinc/99/33/37/431993337.db2.gz ZUODKCYIPVCZLM-UHFFFAOYSA-N 1 0 311.385 3.267 20 10 DGCDRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccccc1O)CC(C)C ZINC000183401332 432290009 /nfs/dbraw/zinc/29/00/09/432290009.db2.gz FXDTXTDKCHUVSC-UONOGXRCSA-N 1 0 308.422 3.204 20 10 DGCDRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1O ZINC000183430555 432293384 /nfs/dbraw/zinc/29/33/84/432293384.db2.gz ATTLWNYSDQCEIJ-HNNXBMFYSA-N 1 0 311.429 3.102 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(CO)o2)cc1F ZINC000174372545 432341753 /nfs/dbraw/zinc/34/17/53/432341753.db2.gz RGMHDLRNOCUOCB-UHFFFAOYSA-N 1 0 306.381 3.047 20 10 DGCDRO CCCOc1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c(O)c1 ZINC000271190456 432348504 /nfs/dbraw/zinc/34/85/04/432348504.db2.gz LWLZWYQNBKPMPW-UHFFFAOYSA-N 1 0 315.417 3.284 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](COC)c2ccc(CC)o2)c1O ZINC000174481142 432350883 /nfs/dbraw/zinc/35/08/83/432350883.db2.gz TUIYHBGZCJBSBE-OAHLLOKOSA-N 1 0 319.401 3.424 20 10 DGCDRO CCC[N@H+](Cc1cccc(OC)c1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271214394 432354533 /nfs/dbraw/zinc/35/45/33/432354533.db2.gz WGKBRNBHSLDTCJ-BMGDILEWSA-N 1 0 319.445 3.426 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC000271455818 432399111 /nfs/dbraw/zinc/39/91/11/432399111.db2.gz FKGWJOCHQOTHMD-CRAIPNDOSA-N 1 0 307.434 3.474 20 10 DGCDRO CCOCCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000184830413 432437962 /nfs/dbraw/zinc/43/79/62/432437962.db2.gz YUQFRQFHWJHDCN-JTQLQIEISA-N 1 0 302.212 3.232 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCSC3(CCOCC3)C2)cc1C ZINC000184830766 432438757 /nfs/dbraw/zinc/43/87/57/432438757.db2.gz RTBMONZEMKFKMJ-UHFFFAOYSA-N 1 0 307.459 3.107 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1 ZINC000185026767 432456930 /nfs/dbraw/zinc/45/69/30/432456930.db2.gz XURUTKKASUEHHG-GFCCVEGCSA-N 1 0 304.356 3.235 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c(O)c1 ZINC000185027027 432457891 /nfs/dbraw/zinc/45/78/91/432457891.db2.gz OFIXTASAKOLDJF-GFCCVEGCSA-N 1 0 304.356 3.235 20 10 DGCDRO COCCCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185036927 432458756 /nfs/dbraw/zinc/45/87/56/432458756.db2.gz XGFFSCJLNOAGHN-SNVBAGLBSA-N 1 0 302.212 3.232 20 10 DGCDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000271539109 432419136 /nfs/dbraw/zinc/41/91/36/432419136.db2.gz PFHBEBZOBYJCCA-SCLBCKFNSA-N 1 0 301.386 3.267 20 10 DGCDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1cccc(C)c1O ZINC000271714552 432421758 /nfs/dbraw/zinc/42/17/58/432421758.db2.gz ICRYCJWDLGSNNE-UHFFFAOYSA-N 1 0 301.415 3.350 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CC(C)(C)OC)c1O ZINC000184709351 432424368 /nfs/dbraw/zinc/42/43/68/432424368.db2.gz LIPQOANDHXDPEE-JTQLQIEISA-N 1 0 301.814 3.347 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1O ZINC000271794043 432425333 /nfs/dbraw/zinc/42/53/33/432425333.db2.gz HLUOXRMNHCCOHL-ZWNOBZJWSA-N 1 0 314.223 3.120 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)c(O)c1 ZINC000185251855 432482500 /nfs/dbraw/zinc/48/25/00/432482500.db2.gz VEXRXJAHTUNDHP-HNNXBMFYSA-N 1 0 304.434 3.144 20 10 DGCDRO COC1(C)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000272387863 432493046 /nfs/dbraw/zinc/49/30/46/432493046.db2.gz UIDURLSMHKTEPN-UHFFFAOYSA-N 1 0 314.223 3.156 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185418870 432499371 /nfs/dbraw/zinc/49/93/71/432499371.db2.gz BQQCPPQKMLJQLE-UGSOOPFHSA-N 1 0 301.386 3.093 20 10 DGCDRO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185439353 432500763 /nfs/dbraw/zinc/50/07/63/432500763.db2.gz DCDALLMHCFBNSC-BFVZDQMLSA-N 1 0 316.239 3.212 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1 ZINC000185443456 432500830 /nfs/dbraw/zinc/50/08/30/432500830.db2.gz CSCQZFRRENBZMA-CYBMUJFWSA-N 1 0 314.385 3.080 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442342 432501132 /nfs/dbraw/zinc/50/11/32/432501132.db2.gz CQFMXTSAMCDACV-KBPBESRZSA-N 1 0 320.433 3.361 20 10 DGCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185467951 432502508 /nfs/dbraw/zinc/50/25/08/432502508.db2.gz UCOQDIBQYRGDGB-LKFCYVNXSA-N 1 0 322.232 3.137 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cc(Br)ccc1O ZINC000185089526 432465889 /nfs/dbraw/zinc/46/58/89/432465889.db2.gz XUBIHLFYQUGFLF-GHMZBOCLSA-N 1 0 314.223 3.232 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)c1 ZINC000185119783 432468924 /nfs/dbraw/zinc/46/89/24/432468924.db2.gz XBLSJDNAVXCFLR-CHWSQXEVSA-N 1 0 301.386 3.305 20 10 DGCDRO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1O ZINC000154065922 432470552 /nfs/dbraw/zinc/47/05/52/432470552.db2.gz IJOLHODKAIXZIT-YJBOKZPZSA-N 1 0 324.424 3.407 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136358 432562220 /nfs/dbraw/zinc/56/22/20/432562220.db2.gz OYHOBVWRQLINDC-GDZNZVCISA-N 1 0 323.458 3.106 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000194619383 432562631 /nfs/dbraw/zinc/56/26/31/432562631.db2.gz ABTCGMNCJTUZNQ-NSHDSACASA-N 1 0 302.330 3.160 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C1CC1 ZINC000186153302 432563638 /nfs/dbraw/zinc/56/36/38/432563638.db2.gz FGDLGOBYRIOJIX-RNCFNFMXSA-N 1 0 314.223 3.230 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)c1 ZINC000186157647 432563686 /nfs/dbraw/zinc/56/36/86/432563686.db2.gz NYSYMQMYMJXKDU-MNOVXSKESA-N 1 0 304.390 3.460 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(Br)cc1O ZINC000185609312 432514816 /nfs/dbraw/zinc/51/48/16/432514816.db2.gz DBIMFVJLZMBVLP-SNVBAGLBSA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185673635 432522619 /nfs/dbraw/zinc/52/26/19/432522619.db2.gz CFHCFJITWLJPTD-GRDNDAEWSA-N 1 0 319.445 3.116 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)c1O ZINC000185677584 432523697 /nfs/dbraw/zinc/52/36/97/432523697.db2.gz IWDBPAWAICCXCR-KDOFPFPSSA-N 1 0 314.429 3.182 20 10 DGCDRO Oc1ccccc1C[NH2+]CCCOCCOCc1ccccc1 ZINC000272560021 432525176 /nfs/dbraw/zinc/52/51/76/432525176.db2.gz NFKIXPRQMSMZSE-UHFFFAOYSA-N 1 0 315.413 3.105 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccccc1O ZINC000155246567 432546051 /nfs/dbraw/zinc/54/60/51/432546051.db2.gz UDRXEWFWOYHMRW-MRXNPFEDSA-N 1 0 304.434 3.272 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000273364890 432591127 /nfs/dbraw/zinc/59/11/27/432591127.db2.gz DXHDYYRLDXGVDY-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273486759 432603605 /nfs/dbraw/zinc/60/36/05/432603605.db2.gz NHVYBQDZANUGEQ-BHVCSQLQSA-N 1 0 309.475 3.079 20 10 DGCDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1O ZINC000273706742 432629635 /nfs/dbraw/zinc/62/96/35/432629635.db2.gz FHLPFJGBHYKCEP-OAHLLOKOSA-N 1 0 324.852 3.114 20 10 DGCDRO Oc1ccccc1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000264542524 432657945 /nfs/dbraw/zinc/65/79/45/432657945.db2.gz RPCIPANPCNTEIB-UHFFFAOYSA-N 1 0 300.377 3.421 20 10 DGCDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187308722 432658153 /nfs/dbraw/zinc/65/81/53/432658153.db2.gz PKLIZWJANLRICO-CMPLNLGQSA-N 1 0 316.239 3.275 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000226647910 432708787 /nfs/dbraw/zinc/70/87/87/432708787.db2.gz JLJOLUGTMDAFPN-ZDUSSCGKSA-N 1 0 308.422 3.094 20 10 DGCDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178365493 432725344 /nfs/dbraw/zinc/72/53/44/432725344.db2.gz NKLWCKWTZOVSKP-LPHOPBHVSA-N 1 0 320.477 3.115 20 10 DGCDRO CC(C)(C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000187709770 432677814 /nfs/dbraw/zinc/67/78/14/432677814.db2.gz OPIJOCVCGFHOMX-UHFFFAOYSA-N 1 0 308.441 3.313 20 10 DGCDRO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000266209810 432755449 /nfs/dbraw/zinc/75/54/49/432755449.db2.gz NUIMVJDMAIPHJR-HNNXBMFYSA-N 1 0 300.402 3.275 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1F ZINC000275959122 432763401 /nfs/dbraw/zinc/76/34/01/432763401.db2.gz JZXLVGJGOSFQNO-GOSISDBHSA-N 1 0 306.425 3.283 20 10 DGCDRO CCc1cnc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)s1 ZINC000230935049 432731662 /nfs/dbraw/zinc/73/16/62/432731662.db2.gz UZDXYOLXXDKNRR-UHFFFAOYSA-N 1 0 312.822 3.363 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCCCC3)O1)OCO2 ZINC000276594651 432821232 /nfs/dbraw/zinc/82/12/32/432821232.db2.gz FCMVIRVYLDTXHT-CQSZACIVSA-N 1 0 319.401 3.092 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C(C)C)C(C)(C)O)ccc1OC ZINC000276622318 432823340 /nfs/dbraw/zinc/82/33/40/432823340.db2.gz LTAUYUCMIFUXNS-KRWDZBQOSA-N 1 0 309.450 3.117 20 10 DGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CS1 ZINC000277110387 432829936 /nfs/dbraw/zinc/82/99/36/432829936.db2.gz HYXLSVFRKWYMLC-SJLPKXTDSA-N 1 0 320.502 3.143 20 10 DGCDRO CCOC(CC[NH2+][C@H](C)c1cc(Cl)ccc1O)OCC ZINC000276457958 432809644 /nfs/dbraw/zinc/80/96/44/432809644.db2.gz BQRAJHYGJZIODZ-LLVKDONJSA-N 1 0 301.814 3.485 20 10 DGCDRO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c1O ZINC000245551533 432843364 /nfs/dbraw/zinc/84/33/64/432843364.db2.gz BMAMFFRUWVKJKP-KDOFPFPSSA-N 1 0 313.397 3.363 20 10 DGCDRO COc1ccc([C@@H](CCO)[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296865840 432932618 /nfs/dbraw/zinc/93/26/18/432932618.db2.gz NTEGVVCYVKQPAQ-SJORKVTESA-N 1 0 313.397 3.101 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000279172320 432941800 /nfs/dbraw/zinc/94/18/00/432941800.db2.gz BYIQQGZBVBCESJ-UHFFFAOYSA-N 1 0 311.429 3.305 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3ccncc3C)CC2)c1 ZINC000278787186 432900773 /nfs/dbraw/zinc/90/07/73/432900773.db2.gz WHMKAECFPXUPFM-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)[nH]1 ZINC000296404353 432904858 /nfs/dbraw/zinc/90/48/58/432904858.db2.gz KNJHDQZPCXDLAW-GVXVVHGQSA-N 1 0 300.406 3.362 20 10 DGCDRO CC[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(N(C)C)cc1 ZINC000289879939 432978031 /nfs/dbraw/zinc/97/80/31/432978031.db2.gz RZOCGACWSIVFOM-KRWDZBQOSA-N 1 0 312.461 3.455 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(N(C)C)cc1 ZINC000289881785 432978219 /nfs/dbraw/zinc/97/82/19/432978219.db2.gz RZOCGACWSIVFOM-QGZVFWFLSA-N 1 0 312.461 3.455 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289987133 432980122 /nfs/dbraw/zinc/98/01/22/432980122.db2.gz SDJJLNSTMPGWJP-INIZCTEOSA-N 1 0 304.825 3.050 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCc2cn[nH]c2)c1O ZINC000290011496 432983004 /nfs/dbraw/zinc/98/30/04/432983004.db2.gz ZUUBAZJECBHURG-JTQLQIEISA-N 1 0 324.222 3.080 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(C)cc1O ZINC000280062209 433002350 /nfs/dbraw/zinc/00/23/50/433002350.db2.gz KMAJECFWZULCLQ-VYDXJSESSA-N 1 0 318.461 3.388 20 10 DGCDRO Cc1cccc(CC2(O)CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000279818347 432992375 /nfs/dbraw/zinc/99/23/75/432992375.db2.gz PEGNVLQCOWGCLH-UHFFFAOYSA-N 1 0 311.425 3.270 20 10 DGCDRO CC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccc(C)cc1O ZINC000280026643 432999682 /nfs/dbraw/zinc/99/96/82/432999682.db2.gz HTKSMLARWODEMM-VMBOVVBDSA-N 1 0 304.434 3.189 20 10 DGCDRO CC[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(C)cc1O ZINC000280073922 433000966 /nfs/dbraw/zinc/00/09/66/433000966.db2.gz LDXBCKSDMBKQJT-RDJZCZTQSA-N 1 0 308.491 3.179 20 10 DGCDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280164066 433008602 /nfs/dbraw/zinc/00/86/02/433008602.db2.gz FUFMHRFNUSBHHL-GFCCVEGCSA-N 1 0 318.383 3.270 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H](O)c1ccc(F)cc1 ZINC000297909319 433030647 /nfs/dbraw/zinc/03/06/47/433030647.db2.gz WPBWQKXIZKDYIH-BKGUAONASA-N 1 0 301.361 3.230 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000290361475 433038326 /nfs/dbraw/zinc/03/83/26/433038326.db2.gz GVMKJLGCYPYSMY-KRWDZBQOSA-N 1 0 302.393 3.232 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1 ZINC000373175195 433113294 /nfs/dbraw/zinc/11/32/94/433113294.db2.gz FQEIHOYAMHGNKU-KRWDZBQOSA-N 1 0 315.417 3.170 20 10 DGCDRO CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCCO1 ZINC000281226235 433273758 /nfs/dbraw/zinc/27/37/58/433273758.db2.gz BZBGRRKNLVABNR-AWEZNQCLSA-N 1 0 311.809 3.249 20 10 DGCDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC000374996536 433329832 /nfs/dbraw/zinc/32/98/32/433329832.db2.gz UEHLCUHTAVQWFH-CVEARBPZSA-N 1 0 313.376 3.085 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC000375301377 433415582 /nfs/dbraw/zinc/41/55/82/433415582.db2.gz GHFHITNXWRFDKY-INIZCTEOSA-N 1 0 311.809 3.057 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1O ZINC000375333997 433433351 /nfs/dbraw/zinc/43/33/51/433433351.db2.gz AYWFQAOLQHAIGB-CVEARBPZSA-N 1 0 323.820 3.392 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1C ZINC000292490590 433568541 /nfs/dbraw/zinc/56/85/41/433568541.db2.gz BOFWVGDUWGNZDS-KRWDZBQOSA-N 1 0 305.805 3.486 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1O ZINC000282827853 433632928 /nfs/dbraw/zinc/63/29/28/433632928.db2.gz BLSNGBYBJQDMJF-CQSZACIVSA-N 1 0 305.809 3.255 20 10 DGCDRO CCC(CC)(CCO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000282984942 433642079 /nfs/dbraw/zinc/64/20/79/433642079.db2.gz JOXCKJDHGRMBJI-UHFFFAOYSA-N 1 0 301.814 3.085 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1C[C@H](c3ccc(F)cc3)C1)OCO2 ZINC000292822310 433597141 /nfs/dbraw/zinc/59/71/41/433597141.db2.gz XCMFXUUBSBIULF-NNUKFRKNSA-N 1 0 315.344 3.296 20 10 DGCDRO CC[C@@H](CSC)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000362258207 433611451 /nfs/dbraw/zinc/61/14/51/433611451.db2.gz QJSWMGKAQYAKQY-AWEZNQCLSA-N 1 0 308.491 3.395 20 10 DGCDRO CCCC[N@H+](Cc1cn2cccnc2n1)Cc1ccccc1O ZINC000282476192 433612548 /nfs/dbraw/zinc/61/25/48/433612548.db2.gz OGZCFBJNFPBUEW-UHFFFAOYSA-N 1 0 310.401 3.237 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1 ZINC000293049274 433612613 /nfs/dbraw/zinc/61/26/13/433612613.db2.gz TULXYHJCDGHQKU-UHFFFAOYSA-N 1 0 323.362 3.499 20 10 DGCDRO Cc1nccnc1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000293196615 433652052 /nfs/dbraw/zinc/65/20/52/433652052.db2.gz XLLBQNLFKAXBFA-UHFFFAOYSA-N 1 0 310.445 3.108 20 10 DGCDRO CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293506764 433761213 /nfs/dbraw/zinc/76/12/13/433761213.db2.gz AHEAZXFAQQILFP-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1F ZINC000293678941 433823828 /nfs/dbraw/zinc/82/38/28/433823828.db2.gz POSUEFVKKAETSJ-SFHVURJKSA-N 1 0 318.436 3.283 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)c(O)c1 ZINC000293724893 433842505 /nfs/dbraw/zinc/84/25/05/433842505.db2.gz MQPGYQABEGPSSO-MRXNPFEDSA-N 1 0 318.461 3.452 20 10 DGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000377243662 433850335 /nfs/dbraw/zinc/85/03/35/433850335.db2.gz VJRXOGOGTWUAMF-CYBMUJFWSA-N 1 0 314.223 3.156 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(COC)CCOCC2)cc1 ZINC000293877210 433904795 /nfs/dbraw/zinc/90/47/95/433904795.db2.gz YNSRFAMEEBBWBT-MRXNPFEDSA-N 1 0 320.477 3.237 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1N(C)C ZINC000293815582 433880953 /nfs/dbraw/zinc/88/09/53/433880953.db2.gz ONVSRODZTSLWJH-HNAYVOBHSA-N 1 0 312.461 3.341 20 10 DGCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)c1 ZINC000293835665 433888397 /nfs/dbraw/zinc/88/83/97/433888397.db2.gz GVJABBJADRWDSI-GFCCVEGCSA-N 1 0 309.772 3.137 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)c(O)c1 ZINC000294063821 433982449 /nfs/dbraw/zinc/98/24/49/433982449.db2.gz HJFSPUIZASGMRZ-ZDUSSCGKSA-N 1 0 317.458 3.205 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000285609395 434013222 /nfs/dbraw/zinc/01/32/22/434013222.db2.gz JAXHVWATHKHQTA-NSHDSACASA-N 1 0 324.222 3.010 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000294145403 434015350 /nfs/dbraw/zinc/01/53/50/434015350.db2.gz HRFCBCDVTYDCPH-UHFFFAOYSA-N 1 0 312.816 3.291 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000377836163 434017478 /nfs/dbraw/zinc/01/74/78/434017478.db2.gz ZGRTZDRQUNOPCC-CABCVRRESA-N 1 0 305.418 3.039 20 10 DGCDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000377891011 434028193 /nfs/dbraw/zinc/02/81/93/434028193.db2.gz ZTDZMPWYAPZYIL-GOSISDBHSA-N 1 0 324.472 3.400 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3cnc(C)s3)CC2)cc1 ZINC000363373456 434031670 /nfs/dbraw/zinc/03/16/70/434031670.db2.gz QGLOALATPVSBSU-UHFFFAOYSA-N 1 0 317.458 3.172 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000294300083 434076888 /nfs/dbraw/zinc/07/68/88/434076888.db2.gz PXYLJGHQOYMCDG-UHFFFAOYSA-N 1 0 323.751 3.246 20 10 DGCDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000294683840 434126129 /nfs/dbraw/zinc/12/61/29/434126129.db2.gz BHQHMEOWQUPIIJ-GFCCVEGCSA-N 1 0 318.383 3.270 20 10 DGCDRO COCC[N@H+](Cc1cccnc1)Cc1ccc(N(C)C)c(C)c1 ZINC000294678314 434126711 /nfs/dbraw/zinc/12/67/11/434126711.db2.gz SJSFAKHAYCIOAB-UHFFFAOYSA-N 1 0 313.445 3.105 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CC2CCC(=O)CC2)C2CC2)cc1 ZINC000294798661 434146219 /nfs/dbraw/zinc/14/62/19/434146219.db2.gz BZOVLBQCLUJWOG-UHFFFAOYSA-N 1 0 300.446 3.476 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2ncccc2C)c1 ZINC000294937357 434153076 /nfs/dbraw/zinc/15/30/76/434153076.db2.gz GPSWSAGJWYUZEB-AWEZNQCLSA-N 1 0 300.402 3.388 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000378352359 434159818 /nfs/dbraw/zinc/15/98/18/434159818.db2.gz VMSNXLZAISWEOH-HXUWFJFHSA-N 1 0 313.489 3.347 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C(C)(C)O ZINC000295061464 434171791 /nfs/dbraw/zinc/17/17/91/434171791.db2.gz RFRSNBGKTPCADX-RNCFNFMXSA-N 1 0 316.239 3.355 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccccc1O ZINC000295105754 434202684 /nfs/dbraw/zinc/20/26/84/434202684.db2.gz KZIZMQCHZODWBQ-RDJZCZTQSA-N 1 0 303.377 3.176 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)CCCCO)c1O ZINC000295121308 434215451 /nfs/dbraw/zinc/21/54/51/434215451.db2.gz WOTTXBRPWCUIHG-LLVKDONJSA-N 1 0 316.239 3.104 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCN(c3ccccc3)C1)CC2 ZINC000295989349 434465354 /nfs/dbraw/zinc/46/53/54/434465354.db2.gz NPYWSVLNKVUKAC-YJBOKZPZSA-N 1 0 308.425 3.496 20 10 DGCDRO Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296126444 434514374 /nfs/dbraw/zinc/51/43/74/434514374.db2.gz VOXURFMGPSPXPE-MRXNPFEDSA-N 1 0 307.397 3.327 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000367880213 434559784 /nfs/dbraw/zinc/55/97/84/434559784.db2.gz SSSINGMSCNZJGO-UHFFFAOYSA-N 1 0 309.772 3.218 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282954482 295167515 /nfs/dbraw/zinc/16/75/15/295167515.db2.gz ZITNCIJWLRFBKS-DYVFJYSZSA-N 1 0 305.418 3.401 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000370725248 434618583 /nfs/dbraw/zinc/61/85/83/434618583.db2.gz QKNRSEOBZYGNBZ-HNNXBMFYSA-N 1 0 305.418 3.039 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCOC3=O)CC2)cc1 ZINC000371334196 434673442 /nfs/dbraw/zinc/67/34/42/434673442.db2.gz XWOBHBYNFCJNFE-UHFFFAOYSA-N 1 0 316.445 3.062 20 10 DGCDRO COC1([C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)CCOCC1 ZINC000453208620 434830291 /nfs/dbraw/zinc/83/02/91/434830291.db2.gz CLDMGVBEUYAXAN-HNNXBMFYSA-N 1 0 316.445 3.160 20 10 DGCDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccccc2O)OC)c1 ZINC000527920593 435017456 /nfs/dbraw/zinc/01/74/56/435017456.db2.gz NYSBLEYQLMETAZ-FZKQIMNGSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000529687523 435039536 /nfs/dbraw/zinc/03/95/36/435039536.db2.gz FVCCMFWTPITQFT-GOSISDBHSA-N 1 0 314.385 3.045 20 10 DGCDRO C[C@H](C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)C1CCCCC1 ZINC000530109161 313321239 /nfs/dbraw/zinc/32/12/39/313321239.db2.gz WTVOKDWRFHKUPO-FZKQIMNGSA-N 1 0 319.445 3.466 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c(O)c1 ZINC000295233215 335131378 /nfs/dbraw/zinc/13/13/78/335131378.db2.gz ODJSLMFYPBFAGZ-OAHLLOKOSA-N 1 0 307.434 3.164 20 10 DGCDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000296421349 335144817 /nfs/dbraw/zinc/14/48/17/335144817.db2.gz LJUOFTDGRIEKLB-UWVGGRQHSA-N 1 0 316.239 3.355 20 10 DGCDRO COc1cccc([C@@H](C[NH2+]Cc2cc(C)c(C)cc2O)OC)c1 ZINC000527736452 337759869 /nfs/dbraw/zinc/75/98/69/337759869.db2.gz LWICRJSLWWMIJW-LJQANCHMSA-N 1 0 315.413 3.495 20 10 DGCDRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000509412301 340268737 /nfs/dbraw/zinc/26/87/37/340268737.db2.gz YUCUBSNQIIWANR-MRXNPFEDSA-N 1 0 315.461 3.270 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)on1 ZINC000185356863 533733711 /nfs/dbraw/zinc/73/37/11/533733711.db2.gz DKVAKZBZOQMCFM-SECBINFHSA-N 1 0 311.179 3.302 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCSC(F)(F)F)c1O ZINC000184706177 533952518 /nfs/dbraw/zinc/95/25/18/533952518.db2.gz NZHDDYJLOGBXDZ-UHFFFAOYSA-N 1 0 315.744 3.397 20 10 DGCDRO CC(C)N1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1=O ZINC000265262478 519687884 /nfs/dbraw/zinc/68/78/84/519687884.db2.gz ZJYIAFKTOBBTCW-GOSISDBHSA-N 1 0 324.424 3.158 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCC2CC(OCC)C2)c(O)c1 ZINC000188781736 520365331 /nfs/dbraw/zinc/36/53/31/520365331.db2.gz XOHWDVCDZBZLOX-UHFFFAOYSA-N 1 0 307.434 3.476 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(C)cc2)c(O)c1 ZINC000236820650 520365954 /nfs/dbraw/zinc/36/59/54/520365954.db2.gz JBESSKCRVFSINS-IBGZPJMESA-N 1 0 315.413 3.313 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)c(O)c1 ZINC000265220110 520375462 /nfs/dbraw/zinc/37/54/62/520375462.db2.gz GRFWZUYHIBTKKB-QGZVFWFLSA-N 1 0 319.376 3.143 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](CCO)c2ccccc2)c(O)c1 ZINC000124440060 520375684 /nfs/dbraw/zinc/37/56/84/520375684.db2.gz APDAMFITJAOUME-GOSISDBHSA-N 1 0 315.413 3.394 20 10 DGCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179938281 520662768 /nfs/dbraw/zinc/66/27/68/520662768.db2.gz MZJLKAXHTZRSFD-NVXWUHKLSA-N 1 0 318.461 3.217 20 10 DGCDRO CCN(CC)[C@H](C[NH2+]Cc1cc(OC)ccc1O)c1ccco1 ZINC000181256130 520866666 /nfs/dbraw/zinc/86/66/66/520866666.db2.gz AFELSSTZAVJPBQ-MRXNPFEDSA-N 1 0 318.417 3.167 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000188289677 521142317 /nfs/dbraw/zinc/14/23/17/521142317.db2.gz SZCXFRNCOYEUQU-SFHVURJKSA-N 1 0 305.418 3.182 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1O ZINC000188275275 521336207 /nfs/dbraw/zinc/33/62/07/521336207.db2.gz LJDRQNRGHYDFOF-INIZCTEOSA-N 1 0 305.418 3.182 20 10 DGCDRO CCOc1cccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1O ZINC000189844519 521366011 /nfs/dbraw/zinc/36/60/11/521366011.db2.gz VFZOWEIMBDCGLN-LJQANCHMSA-N 1 0 315.413 3.178 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+](CC)CCC ZINC000266964161 521606785 /nfs/dbraw/zinc/60/67/85/521606785.db2.gz PDSLAHNXGKGTFD-UHFFFAOYSA-N 1 0 321.465 3.046 20 10 DGCDRO CC[C@H](C[NH2+]Cc1cc(C)ccc1O)NC(=O)OC(C)(C)C ZINC000227713497 522194322 /nfs/dbraw/zinc/19/43/22/522194322.db2.gz YAEGLEJFJWYGPB-CQSZACIVSA-N 1 0 308.422 3.094 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1cc(C)ccc1O)NC(=O)OC(C)(C)C ZINC000227713493 522548567 /nfs/dbraw/zinc/54/85/67/522548567.db2.gz YAEGLEJFJWYGPB-AWEZNQCLSA-N 1 0 308.422 3.094 20 10 DGCDRO C[N@H+](CCC1OCCCO1)Cc1ccc(N2CCCCC2)cc1 ZINC000267983393 522717527 /nfs/dbraw/zinc/71/75/27/522717527.db2.gz YKJIPMRCHMZBHD-UHFFFAOYSA-N 1 0 318.461 3.262 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccccc1O ZINC000156780772 522724866 /nfs/dbraw/zinc/72/48/66/522724866.db2.gz NNRFVIFKOUESMJ-UKPHBRMFSA-N 1 0 307.459 3.488 20 10 DGCDRO CC[C@](C)(CCO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000182626535 523461265 /nfs/dbraw/zinc/46/12/65/523461265.db2.gz HUFUAPKUSRXFJA-CQSZACIVSA-N 1 0 316.239 3.104 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cccc(OC)c2O)c(OC)c1 ZINC000160836373 524006159 /nfs/dbraw/zinc/00/61/59/524006159.db2.gz UPCAJCRASUPQPO-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO Cc1cccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1O ZINC000180502618 524376270 /nfs/dbraw/zinc/37/62/70/524376270.db2.gz IEXDBTACKILLRR-NRFANRHFSA-N 1 0 303.427 3.070 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000191603496 524466223 /nfs/dbraw/zinc/46/62/23/524466223.db2.gz GLYHVAAXLANYKJ-CJNGLKHVSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000191603510 524470445 /nfs/dbraw/zinc/47/04/45/524470445.db2.gz GLYHVAAXLANYKJ-CZUORRHYSA-N 1 0 303.377 3.094 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)c1 ZINC000182324636 524762182 /nfs/dbraw/zinc/76/21/82/524762182.db2.gz VUIBCCZHEGMWLE-FZKQIMNGSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c1 ZINC000187909862 524764641 /nfs/dbraw/zinc/76/46/41/524764641.db2.gz YKZUGNAXFRYVSM-AUUYWEPGSA-N 1 0 315.413 3.349 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)c1 ZINC000161547188 525337954 /nfs/dbraw/zinc/33/79/54/525337954.db2.gz ZLCBOEPESXJQJX-UHFFFAOYSA-N 1 0 312.413 3.388 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000268767387 525409629 /nfs/dbraw/zinc/40/96/29/525409629.db2.gz CLSCURWQLZSVMA-UGSOOPFHSA-N 1 0 302.393 3.276 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCOC1 ZINC000157497760 525444736 /nfs/dbraw/zinc/44/47/36/525444736.db2.gz OGBBHVMRNPCBHD-WMZOPIPTSA-N 1 0 302.462 3.438 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000266133743 525776999 /nfs/dbraw/zinc/77/69/99/525776999.db2.gz DPKNWYOMCLCCCY-LJQANCHMSA-N 1 0 314.429 3.267 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1cncs1)C[C@@H]1CCCO1 ZINC000160173924 526371397 /nfs/dbraw/zinc/37/13/97/526371397.db2.gz MXDMLBOYRGMWKD-AWEZNQCLSA-N 1 0 304.415 3.030 20 10 DGCDRO OCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000189989376 527571200 /nfs/dbraw/zinc/57/12/00/527571200.db2.gz AZHJXBQJOWWIFO-IEBWSBKVSA-N 1 0 302.462 3.318 20 10 DGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000178715045 529361723 /nfs/dbraw/zinc/36/17/23/529361723.db2.gz QHYZOBWHJOTJSM-HUUCEWRRSA-N 1 0 305.466 3.098 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cc(C)cc(Cl)n2)c1O ZINC000281901686 535459797 /nfs/dbraw/zinc/45/97/97/535459797.db2.gz FPSUGWPWPUYILR-UHFFFAOYSA-N 1 0 306.793 3.438 20 10 DGCDRO CCn1cc(CC[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000285058862 536039349 /nfs/dbraw/zinc/03/93/49/536039349.db2.gz ONUONYCHGKEJNY-UHFFFAOYSA-N 1 0 312.461 3.176 20 10 DGCDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)OC ZINC000272699688 536853923 /nfs/dbraw/zinc/85/39/23/536853923.db2.gz RTMVZLNDPAEKRP-LPHOPBHVSA-N 1 0 320.477 3.379 20 10 DGCDRO C[C@H](CCCO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000294738097 546423945 /nfs/dbraw/zinc/42/39/45/546423945.db2.gz GXLOZIVJCACZIZ-GFCCVEGCSA-N 1 0 318.383 3.270 20 10 DGCDRO COc1cc(C)c(CN2CCC[N@@H+](C(C)(C)C)CC2)c(O)c1 ZINC001659074288 1196341215 /nfs/dbraw/zinc/34/12/15/1196341215.db2.gz CJHAURVPFLCDAH-UHFFFAOYSA-N 1 0 306.450 3.015 20 10 DGCDRO Cn1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1=O ZINC000731848460 574560207 /nfs/dbraw/zinc/56/02/07/574560207.db2.gz YLEUEDCRDKYIPH-UHFFFAOYSA-N 1 0 312.413 3.036 20 10 DGCDRO CCc1cccc(NC(=O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733327662 574616387 /nfs/dbraw/zinc/61/63/87/574616387.db2.gz AQLLBKWCSHMMTM-UHFFFAOYSA-N 1 0 318.804 3.336 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000734508629 574665348 /nfs/dbraw/zinc/66/53/48/574665348.db2.gz BGDOMUMJIZCFBO-UHFFFAOYSA-N 1 0 312.413 3.122 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2CN2CCCCC2)cc1C ZINC000738097936 574859033 /nfs/dbraw/zinc/85/90/33/574859033.db2.gz HCIKMOLDSJMLET-SFHVURJKSA-N 1 0 302.462 3.459 20 10 DGCDRO CCOc1ccc(C[NH2+][C@](C)(CO)C2CCCCC2)c(O)c1 ZINC000740014066 574918311 /nfs/dbraw/zinc/91/83/11/574918311.db2.gz LXQIQIDZXMEONY-GOSISDBHSA-N 1 0 307.434 3.212 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCN2CC)cc1F ZINC000740001994 574917951 /nfs/dbraw/zinc/91/79/51/574917951.db2.gz KUQMBTJKDGXBEV-MRXNPFEDSA-N 1 0 307.457 3.246 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](CCOC)Cc2ccco2)cc1 ZINC000741752596 574968800 /nfs/dbraw/zinc/96/88/00/574968800.db2.gz BOGRHRNPBASXIT-UHFFFAOYSA-N 1 0 302.418 3.384 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1cc[nH]c1=S ZINC000743350062 575044616 /nfs/dbraw/zinc/04/46/16/575044616.db2.gz IHOAZBJGUPFCHX-UHFFFAOYSA-N 1 0 304.463 3.106 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000729322417 575234236 /nfs/dbraw/zinc/23/42/36/575234236.db2.gz ZZLHPACIXMIZIS-GOSISDBHSA-N 1 0 317.477 3.023 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000729322419 575234272 /nfs/dbraw/zinc/23/42/72/575234272.db2.gz ZZLHPACIXMIZIS-SFHVURJKSA-N 1 0 317.477 3.023 20 10 DGCDRO Cc1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000745984087 575426269 /nfs/dbraw/zinc/42/62/69/575426269.db2.gz LYZJEEMQKIDLNU-SFHVURJKSA-N 1 0 312.413 3.277 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](COC)Cc2ccccc2)c1O ZINC000747100909 575496325 /nfs/dbraw/zinc/49/63/25/575496325.db2.gz XZVHDKYOOQTTCG-KRWDZBQOSA-N 1 0 315.413 3.138 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)C(C)C)cc1 ZINC000747841119 575545499 /nfs/dbraw/zinc/54/54/99/575545499.db2.gz QBRSKXSNPFHTNK-MRXNPFEDSA-N 1 0 319.493 3.220 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000749129648 575628881 /nfs/dbraw/zinc/62/88/81/575628881.db2.gz RZAMYQNJXUJBMZ-WBMJQRKESA-N 1 0 308.853 3.398 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000725845139 575928277 /nfs/dbraw/zinc/92/82/77/575928277.db2.gz OPKPSQSNIVTABQ-UHFFFAOYSA-N 1 0 317.820 3.331 20 10 DGCDRO Cn1cc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)cn1 ZINC000725848135 575929707 /nfs/dbraw/zinc/92/97/07/575929707.db2.gz VZHNIDZTLRQSJB-UHFFFAOYSA-N 1 0 307.397 3.125 20 10 DGCDRO C[C@H]([NH2+]Cc1ccccc1O)c1ccc(N2CCOC2=O)cc1 ZINC000725847999 575929713 /nfs/dbraw/zinc/92/97/13/575929713.db2.gz MDYHDFJGQRTMMR-ZDUSSCGKSA-N 1 0 312.369 3.200 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)COc2ccccc2)c1 ZINC000725849291 575930653 /nfs/dbraw/zinc/93/06/53/575930653.db2.gz JXNDPJRMSOEEPD-AWEZNQCLSA-N 1 0 301.386 3.348 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)COc2ccccc2)c1 ZINC000725849292 575930657 /nfs/dbraw/zinc/93/06/57/575930657.db2.gz JXNDPJRMSOEEPD-CQSZACIVSA-N 1 0 301.386 3.348 20 10 DGCDRO COc1ccccc1N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000725850012 575931539 /nfs/dbraw/zinc/93/15/39/575931539.db2.gz CPUITDFKORRZOX-UHFFFAOYSA-N 1 0 312.413 3.159 20 10 DGCDRO COCC(C)(C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727471569 576127633 /nfs/dbraw/zinc/12/76/33/576127633.db2.gz HFAVKNMFCIIUSO-UHFFFAOYSA-N 1 0 321.421 3.100 20 10 DGCDRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000727645189 576136024 /nfs/dbraw/zinc/13/60/24/576136024.db2.gz SOXKTNXAEGLQTI-UHFFFAOYSA-N 1 0 323.440 3.317 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)COc2ccccc2)c1O ZINC000728782305 576201764 /nfs/dbraw/zinc/20/17/64/576201764.db2.gz JEQAXQSGOQLLAZ-CQSZACIVSA-N 1 0 301.386 3.348 20 10 DGCDRO Cc1ccc(CN2CCCc3cc(C[NH3+])ccc32)c(Cl)n1 ZINC000852740394 620644689 /nfs/dbraw/zinc/64/46/89/620644689.db2.gz DTCRXWNBQMRJKX-UHFFFAOYSA-N 1 0 301.821 3.455 20 10 DGCDRO COc1cc(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)c(O)cc1C ZINC000853576621 620711439 /nfs/dbraw/zinc/71/14/39/620711439.db2.gz CUIAWJUFWKDPQU-CQSZACIVSA-N 1 0 305.418 3.243 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4COC[C@H]4C3)c2c1 ZINC000853586650 620712841 /nfs/dbraw/zinc/71/28/41/620712841.db2.gz VTJKDPBAAZVXIK-LSDHHAIUSA-N 1 0 313.397 3.022 20 10 DGCDRO CC[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccccc1O ZINC000154891379 620735961 /nfs/dbraw/zinc/73/59/61/620735961.db2.gz WHOASYBNOZMFKL-MRXNPFEDSA-N 1 0 304.434 3.226 20 10 DGCDRO O=C(NCc1cccc(Cl)c1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000890759471 617656579 /nfs/dbraw/zinc/65/65/79/617656579.db2.gz CWCHRVJAXHDPRU-HNNXBMFYSA-N 1 0 322.836 3.069 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c(O)c1OC ZINC000891404784 617793412 /nfs/dbraw/zinc/79/34/12/617793412.db2.gz OAKKMWHOTTZMHQ-AWEZNQCLSA-N 1 0 302.374 3.075 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c(O)c1OC ZINC000891717353 617878321 /nfs/dbraw/zinc/87/83/21/617878321.db2.gz DWDALBNVGNSIPQ-ZDUSSCGKSA-N 1 0 318.373 3.043 20 10 DGCDRO COc1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)c(O)c1OC ZINC000891789849 617899462 /nfs/dbraw/zinc/89/94/62/617899462.db2.gz RGXCEKFVGKDVCD-UHFFFAOYSA-N 1 0 323.433 3.189 20 10 DGCDRO C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1O ZINC000892040634 617949577 /nfs/dbraw/zinc/94/95/77/617949577.db2.gz NBFOMSFNVZMITQ-CQSZACIVSA-N 1 0 319.449 3.065 20 10 DGCDRO COc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c(O)c1OC ZINC000892120343 617966224 /nfs/dbraw/zinc/96/62/24/617966224.db2.gz GXUKCTGDDIZXBL-UKRRQHHQSA-N 1 0 323.458 3.269 20 10 DGCDRO COc1ccc(C[NH2+]CCO[C@@H]2CCCC[C@H]2C)c(O)c1OC ZINC000892580036 618112286 /nfs/dbraw/zinc/11/22/86/618112286.db2.gz YVVYQTFNSWATRS-UKRRQHHQSA-N 1 0 323.433 3.094 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnc(OC)c2F)cc1 ZINC000892615512 618119791 /nfs/dbraw/zinc/11/97/91/618119791.db2.gz SACQAHXBLYMVTE-UHFFFAOYSA-N 1 0 317.408 3.365 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000892633169 618122739 /nfs/dbraw/zinc/12/27/39/618122739.db2.gz AGCNIQCARNHNNI-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2c1c(F)ccc2O ZINC000840886657 618129266 /nfs/dbraw/zinc/12/92/66/618129266.db2.gz KQHXSBSUPMVGRN-DOKDZLDGSA-N 1 0 315.335 3.218 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(C)ccc32)c(O)c1OC ZINC000892680650 618136251 /nfs/dbraw/zinc/13/62/51/618136251.db2.gz QUXVXHOIYCPLNE-MRXNPFEDSA-N 1 0 313.397 3.495 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017199 620785724 /nfs/dbraw/zinc/78/57/24/620785724.db2.gz NYMJNZBFCOPNNC-CHWSQXEVSA-N 1 0 315.244 3.415 20 10 DGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)NCC12CC(C1)C[NH2+]2 ZINC000854227420 620786299 /nfs/dbraw/zinc/78/62/99/620786299.db2.gz OILACKSEMMNHLL-MOMVYJMYSA-N 1 0 322.452 3.408 20 10 DGCDRO COc1cc(C)cc(C[N@H+](CCO)Cc2ccc(C)cc2)c1O ZINC000894441047 618326942 /nfs/dbraw/zinc/32/69/42/618326942.db2.gz DVJOYOKRENTPED-UHFFFAOYSA-N 1 0 315.413 3.012 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000894451726 618338418 /nfs/dbraw/zinc/33/84/18/618338418.db2.gz HEBHCAPHSJBLPS-UHFFFAOYSA-N 1 0 311.381 3.088 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)c2nc(C)cs2)c1O ZINC000894455793 618339176 /nfs/dbraw/zinc/33/91/76/618339176.db2.gz JGYKYEPCWNGUDZ-LLVKDONJSA-N 1 0 306.431 3.367 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc3C2)c1O ZINC000894457817 618339699 /nfs/dbraw/zinc/33/96/99/618339699.db2.gz IIRGMXJEBVDMAV-BBRMVZONSA-N 1 0 313.397 3.130 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1O ZINC000894543510 618377679 /nfs/dbraw/zinc/37/76/79/618377679.db2.gz SGAUBPONUCIGAP-UHFFFAOYSA-N 1 0 316.357 3.216 20 10 DGCDRO Cn1ncc(C[NH2+]CCCSc2nccs2)c1C1CC1 ZINC000893045789 618403462 /nfs/dbraw/zinc/40/34/62/618403462.db2.gz XSUHWKPWNULTCJ-UHFFFAOYSA-N 1 0 308.476 3.026 20 10 DGCDRO c1csc(SCCC[NH2+][C@H]2CCCN3CCCC[C@H]23)n1 ZINC000925102152 618505890 /nfs/dbraw/zinc/50/58/90/618505890.db2.gz LMRJYJARLVUHTB-UONOGXRCSA-N 1 0 311.520 3.232 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000925102153 618505979 /nfs/dbraw/zinc/50/59/79/618505979.db2.gz LMRJYJARLVUHTB-ZIAGYGMSSA-N 1 0 311.520 3.232 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c(O)c1OC ZINC000893320649 618512214 /nfs/dbraw/zinc/51/22/14/618512214.db2.gz SDENPDXBEBWFDC-LSDHHAIUSA-N 1 0 323.433 3.093 20 10 DGCDRO c1csc(SCCC[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)n1 ZINC000925104392 618521781 /nfs/dbraw/zinc/52/17/81/618521781.db2.gz YLNDYRIKHCBPMX-ZIAGYGMSSA-N 1 0 312.504 3.420 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895068522 618526360 /nfs/dbraw/zinc/52/63/60/618526360.db2.gz DIIDXQCWBFVDJT-UHFFFAOYSA-N 1 0 310.445 3.222 20 10 DGCDRO C[C@@]1(Br)C[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000895155487 618557005 /nfs/dbraw/zinc/55/70/05/618557005.db2.gz IVJSNKFCTMBLSH-JOYOIKCWSA-N 1 0 304.615 3.309 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c(O)c1OC ZINC000893493576 618572764 /nfs/dbraw/zinc/57/27/64/618572764.db2.gz CZNIKXSKKSAOGS-SCLBCKFNSA-N 1 0 305.418 3.422 20 10 DGCDRO Cc1cc(F)ncc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000893571152 618609863 /nfs/dbraw/zinc/60/98/63/618609863.db2.gz KGSLPUVOGIVVCJ-UHFFFAOYSA-N 1 0 317.408 3.106 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000840938357 618610796 /nfs/dbraw/zinc/61/07/96/618610796.db2.gz CBTFQOZJPJKDLU-QGZVFWFLSA-N 1 0 318.461 3.036 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000840939279 618611694 /nfs/dbraw/zinc/61/16/94/618611694.db2.gz MKSVLJFKZLXGNW-HXUWFJFHSA-N 1 0 312.457 3.448 20 10 DGCDRO COc1ccc(O)c(CN([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1 ZINC000840957272 618633862 /nfs/dbraw/zinc/63/38/62/618633862.db2.gz KPPZEJPJTFXHSP-LBPRGKRZSA-N 1 0 321.417 3.095 20 10 DGCDRO COc1ccc(O)c(CNc2ccc(C[NH+](C)C)cc2F)c1 ZINC000840957550 618633896 /nfs/dbraw/zinc/63/38/96/618633896.db2.gz KCHDIZVHNYNZRZ-UHFFFAOYSA-N 1 0 304.365 3.214 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1ccc(N(C)C)cc1 ZINC000925855846 618647150 /nfs/dbraw/zinc/64/71/50/618647150.db2.gz IFDXQPUQLIDSTE-IUODEOHRSA-N 1 0 315.383 3.088 20 10 DGCDRO CCc1ncc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840977175 618653047 /nfs/dbraw/zinc/65/30/47/618653047.db2.gz UFPPKRQAMDADSX-OAHLLOKOSA-N 1 0 312.461 3.134 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccc(F)c(F)c2)c(O)c1OC ZINC000893934304 618678592 /nfs/dbraw/zinc/67/85/92/618678592.db2.gz GVERQINFHITKOQ-UHFFFAOYSA-N 1 0 323.339 3.020 20 10 DGCDRO COCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CC[C@@H](C)C1 ZINC000893998786 618691659 /nfs/dbraw/zinc/69/16/59/618691659.db2.gz AEXJROOFRSSOLS-UKRRQHHQSA-N 1 0 323.433 3.046 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc3C2)c(O)c1 ZINC000894186477 618725859 /nfs/dbraw/zinc/72/58/59/618725859.db2.gz XEKAFJHRQHXCHA-BBRMVZONSA-N 1 0 313.397 3.130 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)c(O)c1 ZINC000894185235 618725947 /nfs/dbraw/zinc/72/59/47/618725947.db2.gz KKPMYPOEEJCEOH-RDJZCZTQSA-N 1 0 319.445 3.476 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)c(O)c1 ZINC000894185233 618726128 /nfs/dbraw/zinc/72/61/28/618726128.db2.gz KKPMYPOEEJCEOH-DOTOQJQBSA-N 1 0 319.445 3.476 20 10 DGCDRO Cc1noc2ncc(C[NH2+]Cc3ccc4c(c3)CCCN4C)cc12 ZINC000894209212 618730655 /nfs/dbraw/zinc/73/06/55/618730655.db2.gz QVVZMPODXOGPQZ-UHFFFAOYSA-N 1 0 322.412 3.203 20 10 DGCDRO CCc1cnc(CC[NH2+]Cc2cc(C)cc(OC)c2O)s1 ZINC000894314556 618762379 /nfs/dbraw/zinc/76/23/79/618762379.db2.gz HQERSQPQQCNKML-UHFFFAOYSA-N 1 0 306.431 3.060 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)c1O ZINC000894316751 618762771 /nfs/dbraw/zinc/76/27/71/618762771.db2.gz OLLSJKZNMDWACW-RDTXWAMCSA-N 1 0 307.434 3.250 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c1O ZINC000895465327 618788330 /nfs/dbraw/zinc/78/83/30/618788330.db2.gz BBBLNEUQTKYEEF-MRXNPFEDSA-N 1 0 305.418 3.291 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1O ZINC000895807209 618834010 /nfs/dbraw/zinc/83/40/10/618834010.db2.gz QEGAMHBIGGMFTF-HNNXBMFYSA-N 1 0 305.418 3.148 20 10 DGCDRO CCOC(=O)C1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000895826492 618834065 /nfs/dbraw/zinc/83/40/65/618834065.db2.gz XAKQLYIMUPQJGK-UHFFFAOYSA-N 1 0 317.429 3.223 20 10 DGCDRO COC1(OC)CC2(C[N@H+](Cc3cc(C)ccc3O)[C@@H]2C(C)C)C1 ZINC000895988160 618857931 /nfs/dbraw/zinc/85/79/31/618857931.db2.gz AHLMZERDDIYNMC-QGZVFWFLSA-N 1 0 319.445 3.310 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896227019 618888409 /nfs/dbraw/zinc/88/84/09/618888409.db2.gz JYOFNLYMNNIZNU-CYBMUJFWSA-N 1 0 319.298 3.267 20 10 DGCDRO Cc1nc([C@H]2CC[N@H+](Cc3ccc4ccccc4c3O)C2)no1 ZINC000896232246 618889712 /nfs/dbraw/zinc/88/97/12/618889712.db2.gz JMQCZMBJTWAJOW-HNNXBMFYSA-N 1 0 309.369 3.226 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)cc1 ZINC000896239805 618892135 /nfs/dbraw/zinc/89/21/35/618892135.db2.gz LYJKBYYCVKGRMQ-MRXNPFEDSA-N 1 0 314.433 3.214 20 10 DGCDRO CO[C@]12CCC[C@@]1([NH2+]C/C=C/c1ccc(N(C)C)cc1)CCO2 ZINC000896411449 618909100 /nfs/dbraw/zinc/90/91/00/618909100.db2.gz AASWOMNJEKSAMK-MPTZACGUSA-N 1 0 316.445 3.041 20 10 DGCDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000896494144 618920205 /nfs/dbraw/zinc/92/02/05/618920205.db2.gz ZSHGNHGWFNPQQV-LLVKDONJSA-N 1 0 323.799 3.298 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000896536996 618925952 /nfs/dbraw/zinc/92/59/52/618925952.db2.gz SRCRNCFYWTXAFK-ZDUSSCGKSA-N 1 0 318.442 3.312 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(Cc3noc(C)n3)CC2)c1O ZINC000896550732 618927440 /nfs/dbraw/zinc/92/74/40/618927440.db2.gz ZWVGVRKDJAWCNT-UHFFFAOYSA-N 1 0 315.417 3.101 20 10 DGCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1O ZINC000896799161 618960849 /nfs/dbraw/zinc/96/08/49/618960849.db2.gz SFIOZDBYJZTOKD-ROUUACIJSA-N 1 0 324.424 3.254 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896810595 618964313 /nfs/dbraw/zinc/96/43/13/618964313.db2.gz WVYJBYRELMMVDV-RISCZKNCSA-N 1 0 303.324 3.290 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c(O)c1 ZINC000896824012 618965501 /nfs/dbraw/zinc/96/55/01/618965501.db2.gz RAJVPERWBGJDOL-JSGCOSHPSA-N 1 0 303.324 3.290 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)cc1OC ZINC000897229611 619032804 /nfs/dbraw/zinc/03/28/04/619032804.db2.gz XDBZBYPTOPZIIX-CYBMUJFWSA-N 1 0 323.433 3.093 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CC[C@H]2OCCc3ccccc32)c1 ZINC000897234541 619033971 /nfs/dbraw/zinc/03/39/71/619033971.db2.gz NMCYHKZHQYTQKT-LJQANCHMSA-N 1 0 313.397 3.195 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1O ZINC000897272094 619040325 /nfs/dbraw/zinc/04/03/25/619040325.db2.gz XABJCURTOYLGPG-MRXNPFEDSA-N 1 0 319.445 3.348 20 10 DGCDRO CCc1onc(C)c1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000897336947 619062568 /nfs/dbraw/zinc/06/25/68/619062568.db2.gz SHSHIYXEVVCXBL-UHFFFAOYSA-N 1 0 310.781 3.203 20 10 DGCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(C)cc1O ZINC000897517958 619143798 /nfs/dbraw/zinc/14/37/98/619143798.db2.gz FRWBIQNGBYYVLW-AWEZNQCLSA-N 1 0 305.340 3.274 20 10 DGCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000897525227 619148340 /nfs/dbraw/zinc/14/83/40/619148340.db2.gz KUXXBYYHEKMRCY-HNNXBMFYSA-N 1 0 317.351 3.195 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)c1 ZINC000786953126 619184543 /nfs/dbraw/zinc/18/45/43/619184543.db2.gz KRZPGHBSQSGUOL-NOZJJQNGSA-N 1 0 307.312 3.019 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CCO)C2CCCC2)c1O ZINC000897885442 619191654 /nfs/dbraw/zinc/19/16/54/619191654.db2.gz KIBAVXSDWWJUTN-CQSZACIVSA-N 1 0 313.825 3.085 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2cccnc2)c1O ZINC000897969250 619200613 /nfs/dbraw/zinc/20/06/13/619200613.db2.gz HRGQDNUHCUFWNC-LLVKDONJSA-N 1 0 306.793 3.170 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC([NH2+]C3CCC3)CC2)c1O ZINC000897980942 619203055 /nfs/dbraw/zinc/20/30/55/619203055.db2.gz GJPFZMBPPZYULE-UHFFFAOYSA-N 1 0 324.852 3.161 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1O ZINC000898067883 619211283 /nfs/dbraw/zinc/21/12/83/619211283.db2.gz IOUCMYJKUOUHOB-ZDUSSCGKSA-N 1 0 302.443 3.476 20 10 DGCDRO COc1ccc(C[N@H+](CCCO)Cc2ccc(C)cc2O)cc1 ZINC000898173070 619220565 /nfs/dbraw/zinc/22/05/65/619220565.db2.gz ICKGMMPAIYYBBH-UHFFFAOYSA-N 1 0 315.413 3.094 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@H](O)C2CC2)c(C(F)(F)F)c1 ZINC000898196897 619225440 /nfs/dbraw/zinc/22/54/40/619225440.db2.gz BOTVXRVZSVCHJH-HNNXBMFYSA-N 1 0 316.367 3.022 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2c(C)nc3ccccn32)c1O ZINC000898275699 619231385 /nfs/dbraw/zinc/23/13/85/619231385.db2.gz AXAHSEPKJNCMFL-UHFFFAOYSA-N 1 0 311.385 3.037 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000841040922 619242055 /nfs/dbraw/zinc/24/20/55/619242055.db2.gz CQBRJWMFUJOVFT-QGZVFWFLSA-N 1 0 319.399 3.480 20 10 DGCDRO Cc1nnc(CC[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000929185678 619244572 /nfs/dbraw/zinc/24/45/72/619244572.db2.gz XREAGJSLFHABJK-UHFFFAOYSA-N 1 0 314.433 3.043 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)CC2 ZINC000926914756 619248270 /nfs/dbraw/zinc/24/82/70/619248270.db2.gz JAZJYSNJDPWIOL-YRGRVCCFSA-N 1 0 315.335 3.469 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2nc3c(s2)CCC3)c1O ZINC000926929461 619250491 /nfs/dbraw/zinc/25/04/91/619250491.db2.gz OBGCYJACUUTBPX-LLVKDONJSA-N 1 0 318.442 3.239 20 10 DGCDRO CC[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccccc1O ZINC000926966217 619254013 /nfs/dbraw/zinc/25/40/13/619254013.db2.gz ZFLKBVJPDDOCPS-JSGCOSHPSA-N 1 0 304.356 3.316 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C/C=C/Cl)c1O ZINC000898435582 619275818 /nfs/dbraw/zinc/27/58/18/619275818.db2.gz JMFBVRYWOSWKJZ-NSCUHMNNSA-N 1 0 306.587 3.005 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccsc2)N(C)C)cc1 ZINC000898450291 619276089 /nfs/dbraw/zinc/27/60/89/619276089.db2.gz ACWLQZGBYAZVEN-KRWDZBQOSA-N 1 0 303.475 3.207 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1 ZINC000898449660 619276099 /nfs/dbraw/zinc/27/60/99/619276099.db2.gz IQJNPURZZTXIRE-DNVCBOLYSA-N 1 0 312.461 3.101 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000898512328 619281919 /nfs/dbraw/zinc/28/19/19/619281919.db2.gz ISXZHINRIPZZMZ-HOTGVXAUSA-N 1 0 319.445 3.348 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000898516053 619282992 /nfs/dbraw/zinc/28/29/92/619282992.db2.gz KRQPILBXSQNBIR-CVEARBPZSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898516412 619283449 /nfs/dbraw/zinc/28/34/49/619283449.db2.gz RPCUQWVTDLNKOH-GJZGRUSLSA-N 1 0 305.418 3.039 20 10 DGCDRO CCO[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000902527131 619649321 /nfs/dbraw/zinc/64/93/21/619649321.db2.gz AKCVDQSFCNFCGD-HNNXBMFYSA-N 1 0 301.386 3.165 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](c3ccccn3)C3CC3)C2)cc1 ZINC000903200783 619735526 /nfs/dbraw/zinc/73/55/26/619735526.db2.gz UROPIIFQCOPKKH-JXFKEZNVSA-N 1 0 323.440 3.410 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(CN(C)C)cs2)c1 ZINC000903223064 619741895 /nfs/dbraw/zinc/74/18/95/619741895.db2.gz SLDXIWSWMFPTMS-GFCCVEGCSA-N 1 0 305.447 3.070 20 10 DGCDRO CC[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000903258259 619746137 /nfs/dbraw/zinc/74/61/37/619746137.db2.gz UDDLKWBWJHSZOV-KRWDZBQOSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1cc2c(cc1O)CCCC2 ZINC000903273764 619750715 /nfs/dbraw/zinc/75/07/15/619750715.db2.gz DESGQZNJLUZXSO-ZDUSSCGKSA-N 1 0 317.408 3.288 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)cc(CO)cc2C)c1 ZINC000903308501 619756662 /nfs/dbraw/zinc/75/66/62/619756662.db2.gz QLZFRRXYNRDIKI-CQSZACIVSA-N 1 0 315.413 3.361 20 10 DGCDRO CC[C@H]([NH2+]Cc1cn(C)nc1OC)c1cc(Cl)ccc1O ZINC000903336705 619759968 /nfs/dbraw/zinc/75/99/68/619759968.db2.gz BWFHEEIHYZXLMQ-ZDUSSCGKSA-N 1 0 309.797 3.029 20 10 DGCDRO CC[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000903352244 619763524 /nfs/dbraw/zinc/76/35/24/619763524.db2.gz CCVJWUASWAGISG-CHWSQXEVSA-N 1 0 323.433 3.419 20 10 DGCDRO CC[C@@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1ccc(N(C)C)cc1 ZINC000903360697 619765271 /nfs/dbraw/zinc/76/52/71/619765271.db2.gz LSTJHHQMOOCCPA-RTBURBONSA-N 1 0 320.477 3.377 20 10 DGCDRO C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1cc(F)ccc1O ZINC000903381878 619769033 /nfs/dbraw/zinc/76/90/33/619769033.db2.gz ZJUPOCXANYVBII-SUMWQHHRSA-N 1 0 317.408 3.270 20 10 DGCDRO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1=O ZINC000903389781 619771038 /nfs/dbraw/zinc/77/10/38/619771038.db2.gz XFUPDQGOGNNIQX-RISCZKNCSA-N 1 0 310.825 3.016 20 10 DGCDRO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cscn1 ZINC000903447833 619778300 /nfs/dbraw/zinc/77/83/00/619778300.db2.gz CWYJLXUHWLVXBY-DYVFJYSZSA-N 1 0 318.490 3.163 20 10 DGCDRO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cscn1 ZINC000903447835 619778333 /nfs/dbraw/zinc/77/83/33/619778333.db2.gz CWYJLXUHWLVXBY-SUMWQHHRSA-N 1 0 318.490 3.163 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2)CC1 ZINC000905102394 619971612 /nfs/dbraw/zinc/97/16/12/619971612.db2.gz SJYBPMDXZODUED-KRWDZBQOSA-N 1 0 312.404 3.029 20 10 DGCDRO Cc1ccc(F)c(NC(=S)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000905619536 620011081 /nfs/dbraw/zinc/01/10/81/620011081.db2.gz XDFARLXIQQWJEY-UHFFFAOYSA-N 1 0 318.421 3.082 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@](C)(CO)C2CCCCC2)c1 ZINC000152759325 620521552 /nfs/dbraw/zinc/52/15/52/620521552.db2.gz YHWWRWSCHWIFCG-GOSISDBHSA-N 1 0 307.434 3.212 20 10 DGCDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)C1=CC(=O)CS1)CC2 ZINC000854678375 620828557 /nfs/dbraw/zinc/82/85/57/620828557.db2.gz WEKOEXLPESUDES-UHFFFAOYSA-N 1 0 322.474 3.180 20 10 DGCDRO COC(=O)CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C(C)C ZINC000112959529 620864348 /nfs/dbraw/zinc/86/43/48/620864348.db2.gz JWVVQZAOYNLLIU-UHFFFAOYSA-N 1 0 323.433 3.169 20 10 DGCDRO CC(C)OCC[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000788069342 620888429 /nfs/dbraw/zinc/88/84/29/620888429.db2.gz ZZVHTJZAZIBCME-LJQANCHMSA-N 1 0 322.493 3.139 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2c3c(nn2C)CCC3)cc1 ZINC000921552362 620907345 /nfs/dbraw/zinc/90/73/45/620907345.db2.gz DCRDEXHRFAOYRD-UHFFFAOYSA-N 1 0 312.461 3.045 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)Nc1ccccc1 ZINC000921731717 620940988 /nfs/dbraw/zinc/94/09/88/620940988.db2.gz NERVBULPBPOPSY-AWEZNQCLSA-N 1 0 310.397 3.128 20 10 DGCDRO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921794554 620950518 /nfs/dbraw/zinc/95/05/18/620950518.db2.gz VTQZUDRBMGIWSG-QGZVFWFLSA-N 1 0 311.429 3.395 20 10 DGCDRO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921817214 620953885 /nfs/dbraw/zinc/95/38/85/620953885.db2.gz JSPJQVNPVHWZKS-HNNXBMFYSA-N 1 0 303.427 3.205 20 10 DGCDRO Cn1nc(CC[NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc21 ZINC000922012840 620980044 /nfs/dbraw/zinc/98/00/44/620980044.db2.gz YHKTVSUEUFAEID-UHFFFAOYSA-N 1 0 321.424 3.231 20 10 DGCDRO CCOc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1OC ZINC000114505411 621008152 /nfs/dbraw/zinc/00/81/52/621008152.db2.gz ZDXLGAIOZBYOCK-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO CCOc1cncc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000856767847 621017938 /nfs/dbraw/zinc/01/79/38/621017938.db2.gz FHQGJHKFSJSIQI-UHFFFAOYSA-N 1 0 311.429 3.153 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1)CCCO2 ZINC000922317107 621023511 /nfs/dbraw/zinc/02/35/11/621023511.db2.gz VMEDYZFIZNZOAJ-ROUUACIJSA-N 1 0 301.430 3.164 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1F ZINC000857061896 621053105 /nfs/dbraw/zinc/05/31/05/621053105.db2.gz WIQPMBMSOPGPBK-GDBMZVCRSA-N 1 0 308.441 3.122 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)cc1C ZINC000922565237 621058202 /nfs/dbraw/zinc/05/82/02/621058202.db2.gz ZZOSLAKPHOZSOP-GOSISDBHSA-N 1 0 303.377 3.145 20 10 DGCDRO c1ccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)nc1 ZINC000922585705 621061759 /nfs/dbraw/zinc/06/17/59/621061759.db2.gz NTRDAIWANAYFKS-HXUWFJFHSA-N 1 0 323.440 3.159 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1 ZINC000922703433 621085595 /nfs/dbraw/zinc/08/55/95/621085595.db2.gz VVUBCMXNOQMZKA-ZDUSSCGKSA-N 1 0 313.397 3.404 20 10 DGCDRO C[NH+](C)Cc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547436 621095023 /nfs/dbraw/zinc/09/50/23/621095023.db2.gz DGIRYXHODRMVTF-UHFFFAOYSA-N 1 0 318.804 3.037 20 10 DGCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3c(O)cccc3Cl)C2)n1 ZINC000922864196 621110921 /nfs/dbraw/zinc/11/09/21/621110921.db2.gz CADVDUHBGZBVIE-QWRGUYRKSA-N 1 0 321.808 3.417 20 10 DGCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)C2)n1 ZINC000922872424 621112400 /nfs/dbraw/zinc/11/24/00/621112400.db2.gz KMZSHQWZTFQANZ-LSDHHAIUSA-N 1 0 314.433 3.124 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1F ZINC000922899003 621129274 /nfs/dbraw/zinc/12/92/74/621129274.db2.gz VLVJUQOEJDKLPN-YJBOKZPZSA-N 1 0 306.425 3.187 20 10 DGCDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)/C=C\c2cccnc2)C1 ZINC000857932780 621134271 /nfs/dbraw/zinc/13/42/71/621134271.db2.gz WBBMNSSQPZWQTI-DVESRUBUSA-N 1 0 321.424 3.004 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000922952032 621135069 /nfs/dbraw/zinc/13/50/69/621135069.db2.gz UUOAEXXYYGKOPN-AWEZNQCLSA-N 1 0 307.434 3.474 20 10 DGCDRO COc1ccc(C[NH2+]C[C@]23C[C@H]2CCC3)cc1Cn1cccn1 ZINC000922963790 621140487 /nfs/dbraw/zinc/14/04/87/621140487.db2.gz XTSAUFJZBAOOMX-MJGOQNOKSA-N 1 0 311.429 3.220 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C2([C@H]3CCCCO3)CC2)cc1F ZINC000923028227 621149799 /nfs/dbraw/zinc/14/97/99/621149799.db2.gz NUJFRPNECHEGCS-MRXNPFEDSA-N 1 0 310.388 3.222 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858105977 621153332 /nfs/dbraw/zinc/15/33/32/621153332.db2.gz PDJPMKQQSHGQAH-JVPBZIDWSA-N 1 0 300.446 3.047 20 10 DGCDRO Cc1ccc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858133504 621156197 /nfs/dbraw/zinc/15/61/97/621156197.db2.gz RUJHLMHIISKTSQ-UHFFFAOYSA-N 1 0 305.372 3.067 20 10 DGCDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1c(O)cccc1Br ZINC000858149942 621158966 /nfs/dbraw/zinc/15/89/66/621158966.db2.gz ANBKRIAACNMWIS-QWRGUYRKSA-N 1 0 314.223 3.059 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1F ZINC000858185927 621162557 /nfs/dbraw/zinc/16/25/57/621162557.db2.gz KGQFVGNTADDWDV-DLBZAZTESA-N 1 0 323.431 3.137 20 10 DGCDRO CC(C)(C)c1cc(C[NH2+]Cc2cnn[nH]2)c(O)c(C(C)(C)C)c1 ZINC000858197380 621163940 /nfs/dbraw/zinc/16/39/40/621163940.db2.gz CEPAFMOMNXWNBC-UHFFFAOYSA-N 1 0 316.449 3.395 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)cc1 ZINC000858221333 621166038 /nfs/dbraw/zinc/16/60/38/621166038.db2.gz GHDZAPBYEPRBKV-LJQANCHMSA-N 1 0 301.478 3.249 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCN2CC(F)F)c(Cl)c1 ZINC000858232055 621166795 /nfs/dbraw/zinc/16/67/95/621166795.db2.gz SHFNOXBKLRNYQW-LLVKDONJSA-N 1 0 318.795 3.173 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)c1 ZINC000858238078 621167068 /nfs/dbraw/zinc/16/70/68/621167068.db2.gz UBANZEUGXHUNPK-UHFFFAOYSA-N 1 0 320.433 3.047 20 10 DGCDRO Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2cc(C)ccc2O)o1 ZINC000858238872 621167356 /nfs/dbraw/zinc/16/73/56/621167356.db2.gz DVWBQBUAKSPNLN-UHFFFAOYSA-N 1 0 311.385 3.292 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000858286211 621171913 /nfs/dbraw/zinc/17/19/13/621171913.db2.gz UUQCXUXSFUZVJB-XJDXJNMNSA-N 1 0 313.489 3.372 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000858297138 621172938 /nfs/dbraw/zinc/17/29/38/621172938.db2.gz BEYQVJAXRKUKCF-RHSMWYFYSA-N 1 0 319.445 3.355 20 10 DGCDRO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(F)ccc1O ZINC000858448561 621192526 /nfs/dbraw/zinc/19/25/26/621192526.db2.gz CKKAYOBUKAKWDY-ZANVPECISA-N 1 0 317.286 3.182 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(C)cc1O ZINC000858479362 621196174 /nfs/dbraw/zinc/19/61/74/621196174.db2.gz PQYWSQBNPANRNB-ZFWWWQNUSA-N 1 0 312.404 3.471 20 10 DGCDRO Cc1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000116361167 621224850 /nfs/dbraw/zinc/22/48/50/621224850.db2.gz HQRDKCSTLZFRFC-UHFFFAOYSA-N 1 0 310.441 3.164 20 10 DGCDRO Cc1cc(C[N@@H+](C)CC2(C)COC2)ccc1N1CCCCC1 ZINC000859571192 621293022 /nfs/dbraw/zinc/29/30/22/621293022.db2.gz HAMBOQHMRNUQPG-UHFFFAOYSA-N 1 0 302.462 3.454 20 10 DGCDRO Fc1cc(C[NH2+]Cc2ccsc2)cc(F)c1N1CCOCC1 ZINC000839146262 621332979 /nfs/dbraw/zinc/33/29/79/621332979.db2.gz AXMMXXKUPDRECQ-UHFFFAOYSA-N 1 0 324.396 3.153 20 10 DGCDRO CCC[C@@H](CC)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839143719 621341117 /nfs/dbraw/zinc/34/11/17/621341117.db2.gz BJJQWLXDBUDLFA-CQSZACIVSA-N 1 0 312.404 3.470 20 10 DGCDRO Fc1cc(C[NH2+]C2(C3CCC3)CCC2)ccc1N1CCOCC1 ZINC000839186933 621345736 /nfs/dbraw/zinc/34/57/36/621345736.db2.gz RAKOBDIZKNNGDD-UHFFFAOYSA-N 1 0 318.436 3.475 20 10 DGCDRO CCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000839192027 621347068 /nfs/dbraw/zinc/34/70/68/621347068.db2.gz GEVGYHZQQCUVQR-ZDUSSCGKSA-N 1 0 323.433 3.201 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)ccc1OC ZINC000753374174 621438181 /nfs/dbraw/zinc/43/81/81/621438181.db2.gz QGJZEXFVNDQAIJ-SJORKVTESA-N 1 0 307.434 3.135 20 10 DGCDRO COC(=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CCCCC1 ZINC000753591590 621452335 /nfs/dbraw/zinc/45/23/35/621452335.db2.gz MINDDWBKHOTIOR-UHFFFAOYSA-N 1 0 311.809 3.259 20 10 DGCDRO COc1cc(C)cc(CN2CCC[N@@H+](C(C)(C)C)CC2)c1O ZINC000754720771 621527626 /nfs/dbraw/zinc/52/76/26/621527626.db2.gz PLWALRRMGUQVKC-UHFFFAOYSA-N 1 0 306.450 3.015 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1F ZINC000862228929 621564397 /nfs/dbraw/zinc/56/43/97/621564397.db2.gz KXDAVNXOCSEEQP-GFCCVEGCSA-N 1 0 320.387 3.134 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC000862346853 621576173 /nfs/dbraw/zinc/57/61/73/621576173.db2.gz ZVTXBWZWMGCEMF-NSHDSACASA-N 1 0 300.418 3.358 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC000862346852 621576433 /nfs/dbraw/zinc/57/64/33/621576433.db2.gz ZVTXBWZWMGCEMF-LLVKDONJSA-N 1 0 300.418 3.358 20 10 DGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862351970 621577091 /nfs/dbraw/zinc/57/70/91/621577091.db2.gz XJSIEBZFUUVNLU-KRWDZBQOSA-N 1 0 312.404 3.422 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@H](O)c2ccccc2)cc1F ZINC000862367890 621580256 /nfs/dbraw/zinc/58/02/56/621580256.db2.gz YPWXGSUPHBRBLF-GOSISDBHSA-N 1 0 320.383 3.244 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC(F)(F)C1 ZINC000862419237 621587409 /nfs/dbraw/zinc/58/74/09/621587409.db2.gz WRFRUOBKPCHQSN-ZDUSSCGKSA-N 1 0 324.415 3.171 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000862434795 621589223 /nfs/dbraw/zinc/58/92/23/621589223.db2.gz HPEDSKSIOVUVGJ-CYBMUJFWSA-N 1 0 313.323 3.044 20 10 DGCDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc(Cl)c(C)cc2O)n1 ZINC000862432813 621589306 /nfs/dbraw/zinc/58/93/06/621589306.db2.gz OEPLDJTVXZJDPM-UHFFFAOYSA-N 1 0 321.808 3.183 20 10 DGCDRO C[C@H]1C[NH+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C)C1(F)F ZINC000862442581 621590552 /nfs/dbraw/zinc/59/05/52/621590552.db2.gz IRZQSBBJVOYZEL-GJZGRUSLSA-N 1 0 324.415 3.246 20 10 DGCDRO Oc1cccc(Br)c1C[NH+]1CC(Cc2ccco2)C1 ZINC000862487742 621595257 /nfs/dbraw/zinc/59/52/57/621595257.db2.gz VAMPRMNASSAPLC-UHFFFAOYSA-N 1 0 322.202 3.422 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c(O)c1 ZINC000862540492 621598828 /nfs/dbraw/zinc/59/88/28/621598828.db2.gz GRPTYRXHMFWXPW-OAHLLOKOSA-N 1 0 313.397 3.486 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccc(F)cc3)C1)OCO2 ZINC000755928544 621604417 /nfs/dbraw/zinc/60/44/17/621604417.db2.gz YGXHUAAJYSITJD-ZDUSSCGKSA-N 1 0 315.344 3.250 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000756035765 621611351 /nfs/dbraw/zinc/61/13/51/621611351.db2.gz WSPCFXVDCHTWAT-UHFFFAOYSA-N 1 0 303.793 3.045 20 10 DGCDRO COCC(C)(C)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000756077726 621614014 /nfs/dbraw/zinc/61/40/14/621614014.db2.gz SOJNUSJMWMXHKP-MRXNPFEDSA-N 1 0 307.434 3.046 20 10 DGCDRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1cc(F)ccc1O ZINC000756342806 621629309 /nfs/dbraw/zinc/62/93/09/621629309.db2.gz LDMAQFXVIHADTD-YOEHRIQHSA-N 1 0 316.420 3.355 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CC3)CC2)c2c1c(F)ccc2O ZINC000756368883 621631917 /nfs/dbraw/zinc/63/19/17/621631917.db2.gz RJZKQXXINGVUTA-IAQYHMDHSA-N 1 0 304.409 3.296 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c(O)c1C ZINC000756398952 621635438 /nfs/dbraw/zinc/63/54/38/621635438.db2.gz KTGMGWHGUVRZJW-CQSZACIVSA-N 1 0 316.445 3.061 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)c2c1c(F)ccc2O ZINC000756403757 621636087 /nfs/dbraw/zinc/63/60/87/621636087.db2.gz QYQKQIFGOPJZOY-LERXQTSPSA-N 1 0 315.392 3.480 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000119240490 621636675 /nfs/dbraw/zinc/63/66/75/621636675.db2.gz NUOSLGJDEUJCDL-RDJZCZTQSA-N 1 0 318.461 3.131 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN3CCCC[C@@H]23)c2c1c(F)ccc2O ZINC000756431625 621638227 /nfs/dbraw/zinc/63/82/27/621638227.db2.gz OHSBVKYHPKXZSW-UNQGMJICSA-N 1 0 304.409 3.296 20 10 DGCDRO COCCOc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000756429331 621638401 /nfs/dbraw/zinc/63/84/01/621638401.db2.gz GLIJBEJJULKYJK-ZDUSSCGKSA-N 1 0 319.376 3.407 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(Br)cc1O ZINC000756573362 621650017 /nfs/dbraw/zinc/65/00/17/621650017.db2.gz JDKPPZKUIRXWIP-YGRLFVJLSA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(Br)cc1O ZINC000756573359 621650181 /nfs/dbraw/zinc/65/01/81/621650181.db2.gz JDKPPZKUIRXWIP-QMTHXVAHSA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCOc2cccnc2)c2c1c(F)ccc2O ZINC000756570959 621650339 /nfs/dbraw/zinc/65/03/39/621650339.db2.gz GWJSSXYAOHXGCL-SMDDNHRTSA-N 1 0 302.349 3.143 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756638643 621655156 /nfs/dbraw/zinc/65/51/56/621655156.db2.gz VKEOMNGQKBFDFL-XJKSGUPXSA-N 1 0 303.377 3.440 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2)c2c1c(F)ccc2O ZINC000756653823 621656069 /nfs/dbraw/zinc/65/60/69/621656069.db2.gz HDTJTWQPBFDWFW-GLQYFDAESA-N 1 0 301.361 3.403 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(F)ccc1O ZINC000756702573 621658983 /nfs/dbraw/zinc/65/89/83/621658983.db2.gz ARHLFMUGKLYKRB-LLVKDONJSA-N 1 0 303.333 3.153 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756710077 621659532 /nfs/dbraw/zinc/65/95/32/621659532.db2.gz ABGHMLAIBZTLQW-IAQYHMDHSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c1 ZINC000756711474 621659578 /nfs/dbraw/zinc/65/95/78/621659578.db2.gz LCWXJEPPUDWCLD-DEYYWGMASA-N 1 0 315.413 3.216 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000756708073 621659686 /nfs/dbraw/zinc/65/96/86/621659686.db2.gz MMTXIWYJQSJXSF-CYBMUJFWSA-N 1 0 316.357 3.338 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c(O)c1C ZINC000756708357 621659893 /nfs/dbraw/zinc/65/98/93/621659893.db2.gz BUDDKKKUHDJIFD-WBVHZDCISA-N 1 0 318.461 3.307 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCCOC2CCOCC2)c2c1c(F)ccc2O ZINC000756734786 621661224 /nfs/dbraw/zinc/66/12/24/621661224.db2.gz ZNWOCXMHIKFWDK-DOMZBBRYSA-N 1 0 323.408 3.255 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294574 621661547 /nfs/dbraw/zinc/66/15/47/621661547.db2.gz JITDFTBKMFFCEU-KGLIPLIRSA-N 1 0 300.427 3.410 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c(O)c1 ZINC000756762906 621662941 /nfs/dbraw/zinc/66/29/41/621662941.db2.gz SUGFQHGOPRNYFL-YOEHRIQHSA-N 1 0 316.445 3.285 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCOc2ncccc2F)c2c1c(F)ccc2O ZINC000756761892 621662986 /nfs/dbraw/zinc/66/29/86/621662986.db2.gz RQZOUXDYTWPEIJ-MFKMUULPSA-N 1 0 320.339 3.282 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000756765784 621663558 /nfs/dbraw/zinc/66/35/58/621663558.db2.gz RBPUWQBWIMVGIV-GJZGRUSLSA-N 1 0 305.418 3.079 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000756774380 621663872 /nfs/dbraw/zinc/66/38/72/621663872.db2.gz CKSOZRDQFXFGEC-GXFFZTMASA-N 1 0 317.351 3.235 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000756887132 621670558 /nfs/dbraw/zinc/67/05/58/621670558.db2.gz MWMNGURSNYHQMX-CZUORRHYSA-N 1 0 319.445 3.396 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccccc1O ZINC000839540999 621693130 /nfs/dbraw/zinc/69/31/30/621693130.db2.gz QDILYQPEJPKNPS-RDJZCZTQSA-N 1 0 310.397 3.386 20 10 DGCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000839563180 621697397 /nfs/dbraw/zinc/69/73/97/621697397.db2.gz HORGDPMMTQPTFG-GFCCVEGCSA-N 1 0 318.442 3.452 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000839621347 621701485 /nfs/dbraw/zinc/70/14/85/621701485.db2.gz IWLDWEHLIMJKGV-OWCLPIDISA-N 1 0 318.461 3.392 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)cc1F ZINC000864054394 621732544 /nfs/dbraw/zinc/73/25/44/621732544.db2.gz XPWSFTXVNZAMRB-GDBMZVCRSA-N 1 0 312.404 3.060 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000758975081 621815890 /nfs/dbraw/zinc/81/58/90/621815890.db2.gz YZISOOUSJYVLGX-UHFFFAOYSA-N 1 0 319.445 3.398 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1F ZINC000760448791 621941439 /nfs/dbraw/zinc/94/14/39/621941439.db2.gz ABOVJPULMKJTQL-CQSZACIVSA-N 1 0 322.346 3.075 20 10 DGCDRO OCC[C@H]([NH2+]Cc1ccccc1O)c1ccc(Cl)c(F)c1 ZINC000865653594 621972052 /nfs/dbraw/zinc/97/20/52/621972052.db2.gz HLPCIWNYYWDPKV-HNNXBMFYSA-N 1 0 309.768 3.398 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H](O)C(F)(F)F ZINC000865712214 621981691 /nfs/dbraw/zinc/98/16/91/621981691.db2.gz YADMNMJLJUHEQE-WFASDCNBSA-N 1 0 316.367 3.078 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000865752702 621988381 /nfs/dbraw/zinc/98/83/81/621988381.db2.gz ANXZJSBAHHONSB-HUUCEWRRSA-N 1 0 314.351 3.204 20 10 DGCDRO CN(Cc1cc(F)ccc1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222660 621995590 /nfs/dbraw/zinc/99/55/90/621995590.db2.gz LCJMNRGKLUWQHK-UHFFFAOYSA-N 1 0 318.392 3.108 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H]2c3ccccc3CN2C)c1O ZINC000865806126 621998545 /nfs/dbraw/zinc/99/85/45/621998545.db2.gz GONGDAHOPJSYGE-KRWDZBQOSA-N 1 0 312.413 3.067 20 10 DGCDRO C[NH+](C)Cc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000866100402 622045801 /nfs/dbraw/zinc/04/58/01/622045801.db2.gz UCADQOOLRHDGOX-UHFFFAOYSA-N 1 0 311.385 3.002 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1C ZINC000762611072 622085872 /nfs/dbraw/zinc/08/58/72/622085872.db2.gz CIVGFUWKBYWDLE-VNQPRFMTSA-N 1 0 309.500 3.478 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)c(O)c1C ZINC000866424788 622115815 /nfs/dbraw/zinc/11/58/15/622115815.db2.gz HFPZRCWEPDAZMG-IUODEOHRSA-N 1 0 307.434 3.449 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc3c2CCOC3)c1O ZINC000866478136 622124358 /nfs/dbraw/zinc/12/43/58/622124358.db2.gz FAMHXHJKZRYCEH-ZDUSSCGKSA-N 1 0 313.397 3.324 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000866491740 622126598 /nfs/dbraw/zinc/12/65/98/622126598.db2.gz XHELUQQRFSUASV-JBBXEZCESA-N 1 0 305.418 3.399 20 10 DGCDRO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866517832 622131482 /nfs/dbraw/zinc/13/14/82/622131482.db2.gz OMRHILKVYXZGDF-SFYCDEOASA-N 1 0 321.421 3.214 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2c3ccccc3CN2C)c1O ZINC000866561898 622138277 /nfs/dbraw/zinc/13/82/77/622138277.db2.gz AYTSOBBOVGTRFV-CXAGYDPISA-N 1 0 312.413 3.238 20 10 DGCDRO C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccc(F)cc1[O-] ZINC000866572532 622140875 /nfs/dbraw/zinc/14/08/75/622140875.db2.gz BXJGLYXXVVAOOO-GFCCVEGCSA-N 1 0 313.376 3.311 20 10 DGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000866635894 622151289 /nfs/dbraw/zinc/15/12/89/622151289.db2.gz UVBJAUKOUPYNKT-JBLDHEPKSA-N 1 0 316.239 3.355 20 10 DGCDRO CC(C)[NH+](CCCNC(=O)N[C@H](C)c1ccccc1O)C(C)C ZINC000868379595 622238734 /nfs/dbraw/zinc/23/87/34/622238734.db2.gz MPBZGICHIRMNEC-OAHLLOKOSA-N 1 0 321.465 3.261 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1C ZINC000765265996 622255447 /nfs/dbraw/zinc/25/54/47/622255447.db2.gz KJSAHKXEMMHGFH-MRXNPFEDSA-N 1 0 313.397 3.329 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CCOCC1 ZINC000765480802 622267513 /nfs/dbraw/zinc/26/75/13/622267513.db2.gz NHDMIFLHRRFFSH-SFHVURJKSA-N 1 0 302.462 3.364 20 10 DGCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000765794505 622287892 /nfs/dbraw/zinc/28/78/92/622287892.db2.gz CTLACDVCANISMH-ZWKOTPCHSA-N 1 0 324.424 3.064 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765834806 622290199 /nfs/dbraw/zinc/29/01/99/622290199.db2.gz HTKGCIFPXDUGMX-KBPBESRZSA-N 1 0 324.852 3.006 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCN2CCCCC2=O)cc1 ZINC000765844362 622290887 /nfs/dbraw/zinc/29/08/87/622290887.db2.gz FEVNIBHXYVOADQ-MRXNPFEDSA-N 1 0 317.477 3.196 20 10 DGCDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765946439 622295664 /nfs/dbraw/zinc/29/56/64/622295664.db2.gz RDZBUQFRGQNUED-KSFYIVLOSA-N 1 0 322.518 3.486 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766029948 622301106 /nfs/dbraw/zinc/30/11/06/622301106.db2.gz QJPQCADEMAGSRP-LJQANCHMSA-N 1 0 312.457 3.408 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1O ZINC000766090468 622305114 /nfs/dbraw/zinc/30/51/14/622305114.db2.gz TUOLFRFSGWPTNK-CVEARBPZSA-N 1 0 307.434 3.473 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)cc1 ZINC000766438409 622329518 /nfs/dbraw/zinc/32/95/18/622329518.db2.gz LEFNUDOJFFBEFW-QAPCUYQASA-N 1 0 321.534 3.231 20 10 DGCDRO Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C2 ZINC000767727150 622419214 /nfs/dbraw/zinc/41/92/14/622419214.db2.gz IAHFQDKASWDKJI-OAHLLOKOSA-N 1 0 303.789 3.398 20 10 DGCDRO CCOC(=O)CC1([NH2+]Cc2cc(OCC)ccc2O)CCCC1 ZINC000789778707 625566013 /nfs/dbraw/zinc/56/60/13/625566013.db2.gz IVRBLQSOEKKKPR-UHFFFAOYSA-N 1 0 321.417 3.147 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(O)cccc1OC ZINC000768134752 622440959 /nfs/dbraw/zinc/44/09/59/622440959.db2.gz UFXLHOZVYTUYQZ-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)cccc1Cl ZINC000768185505 622444090 /nfs/dbraw/zinc/44/40/90/622444090.db2.gz YRKKQXJAMRRWLE-UHFFFAOYSA-N 1 0 319.788 3.449 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)CCOc2ccccc2F)c1 ZINC000768212570 622445374 /nfs/dbraw/zinc/44/53/74/622445374.db2.gz LQEFOIFRBYVXKV-UHFFFAOYSA-N 1 0 319.376 3.441 20 10 DGCDRO CC(C)CNC(=O)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768228799 622446711 /nfs/dbraw/zinc/44/67/11/622446711.db2.gz JXOJLSBHGOPXFR-UHFFFAOYSA-N 1 0 324.852 3.030 20 10 DGCDRO CC[N@H+](CCOC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768252592 622447467 /nfs/dbraw/zinc/44/74/67/622447467.db2.gz UVLFXIXHJOAYOZ-UHFFFAOYSA-N 1 0 321.421 3.053 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000768251565 622447842 /nfs/dbraw/zinc/44/78/42/622447842.db2.gz OTXQXRLZTWACLL-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO CCc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768437966 622455732 /nfs/dbraw/zinc/45/57/32/622455732.db2.gz LOHDTICFSOIXGA-SFHVURJKSA-N 1 0 313.397 3.012 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccs1)[C@@H](O)CO2 ZINC000768442096 622455949 /nfs/dbraw/zinc/45/59/49/622455949.db2.gz OUXNDXDYGKQGSR-HIFRSBDPSA-N 1 0 317.410 3.217 20 10 DGCDRO C[C@H](C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)c1ccccc1 ZINC000768449042 622456941 /nfs/dbraw/zinc/45/69/41/622456941.db2.gz DARQYBBEQLIJHF-FZKQIMNGSA-N 1 0 313.397 3.054 20 10 DGCDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462481 622457920 /nfs/dbraw/zinc/45/79/20/622457920.db2.gz LXBGOYKFDNJPAH-PBHICJAKSA-N 1 0 305.418 3.219 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768465607 622458113 /nfs/dbraw/zinc/45/81/13/622458113.db2.gz IVPKJZBORJKJBV-LLSQANQASA-N 1 0 311.381 3.011 20 10 DGCDRO CC[NH+](CC)CCN(Cc1c(O)cccc1OC)CC(C)C ZINC000768741394 622473603 /nfs/dbraw/zinc/47/36/03/622473603.db2.gz FGCQBNYSXMFHHP-UHFFFAOYSA-N 1 0 308.466 3.201 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000769107126 622499284 /nfs/dbraw/zinc/49/92/84/622499284.db2.gz UDNLVSKWOBVIRU-KUHUBIRLSA-N 1 0 313.397 3.363 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccccc1-n1cncn1 ZINC000769200946 622507316 /nfs/dbraw/zinc/50/73/16/622507316.db2.gz JWYRDJQEUJSXRC-UHFFFAOYSA-N 1 0 322.412 3.385 20 10 DGCDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1c(O)cccc1OC ZINC000769326909 622518286 /nfs/dbraw/zinc/51/82/86/622518286.db2.gz QTNFMZMHVPFYKC-AWEZNQCLSA-N 1 0 315.413 3.472 20 10 DGCDRO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000769326397 622518313 /nfs/dbraw/zinc/51/83/13/622518313.db2.gz LJDKOGMGHNNAFR-IBGZPJMESA-N 1 0 301.478 3.201 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)c(O)c1 ZINC000769387008 622523347 /nfs/dbraw/zinc/52/33/47/622523347.db2.gz HACZPWJBVOHMIR-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000769390162 622523898 /nfs/dbraw/zinc/52/38/98/622523898.db2.gz RBBATBHRJUIQIG-CYBMUJFWSA-N 1 0 301.386 3.169 20 10 DGCDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000769464415 622530019 /nfs/dbraw/zinc/53/00/19/622530019.db2.gz WNLPJKGZUPCTQP-AWEZNQCLSA-N 1 0 313.397 3.492 20 10 DGCDRO CCOc1cccc(C[N@@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)c1O ZINC000769472910 622531366 /nfs/dbraw/zinc/53/13/66/622531366.db2.gz KRVJSMPDFOSTOR-HZPDHXFCSA-N 1 0 307.434 3.426 20 10 DGCDRO C[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1ccccc1O ZINC000870988766 622531381 /nfs/dbraw/zinc/53/13/81/622531381.db2.gz ZBHDDGBZSPKKQN-CXAGYDPISA-N 1 0 312.413 3.296 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC)cc1F ZINC000769485187 622532940 /nfs/dbraw/zinc/53/29/40/622532940.db2.gz ZGJRCSGHQRRRAY-HNNXBMFYSA-N 1 0 322.424 3.199 20 10 DGCDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769484605 622532965 /nfs/dbraw/zinc/53/29/65/622532965.db2.gz XMWYCEYSRIVUCQ-QGZVFWFLSA-N 1 0 322.452 3.470 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)[C@H](CC)CN1C(C)=O ZINC000769499189 622534432 /nfs/dbraw/zinc/53/44/32/622534432.db2.gz YJOVVNAERUKSDY-QZTJIDSGSA-N 1 0 318.461 3.230 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000769504215 622535032 /nfs/dbraw/zinc/53/50/32/622535032.db2.gz QCSXFGGWJJUGSV-INIZCTEOSA-N 1 0 312.413 3.477 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c(O)c1 ZINC000769519594 622537077 /nfs/dbraw/zinc/53/70/77/622537077.db2.gz TVFQIQODXAGOLX-OAHLLOKOSA-N 1 0 305.418 3.039 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000769528289 622537894 /nfs/dbraw/zinc/53/78/94/622537894.db2.gz UGYCSZYBEPHQFN-HNNXBMFYSA-N 1 0 305.418 3.397 20 10 DGCDRO CCOC(=O)CCC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000769528689 622538060 /nfs/dbraw/zinc/53/80/60/622538060.db2.gz XGVCVLHQSVIFFO-UHFFFAOYSA-N 1 0 305.418 3.256 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)CCOCc1ccccc1 ZINC000770307481 622619682 /nfs/dbraw/zinc/61/96/82/622619682.db2.gz YFOFJQXOSPUTMP-UHFFFAOYSA-N 1 0 301.386 3.049 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c(O)c1 ZINC000770305956 622619812 /nfs/dbraw/zinc/61/98/12/622619812.db2.gz WYFOHUIIQPRBJT-QGZVFWFLSA-N 1 0 315.417 3.170 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(O)c1 ZINC000770319680 622621436 /nfs/dbraw/zinc/62/14/36/622621436.db2.gz AMDIVHWPQDWJTC-RHSMWYFYSA-N 1 0 315.417 3.071 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000770510157 622640553 /nfs/dbraw/zinc/64/05/53/622640553.db2.gz ZPFZQIWZHNSDJD-LJQANCHMSA-N 1 0 310.441 3.489 20 10 DGCDRO COCC(C)(C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000872105904 622807380 /nfs/dbraw/zinc/80/73/80/622807380.db2.gz MRSDPBTZXXNMLJ-UHFFFAOYSA-N 1 0 320.477 3.316 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)c(O)c1 ZINC000872108807 622811109 /nfs/dbraw/zinc/81/11/09/622811109.db2.gz DTDPDGJTASNEPG-LLVKDONJSA-N 1 0 313.323 3.267 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2nn(C)c3ccccc23)cc1 ZINC000771934843 622820357 /nfs/dbraw/zinc/82/03/57/622820357.db2.gz BUJUXGTYHGHTCK-UHFFFAOYSA-N 1 0 308.429 3.271 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C(F)F)CC2)c(Cl)c1 ZINC000872253561 622868319 /nfs/dbraw/zinc/86/83/19/622868319.db2.gz CNSJZYIMHKURFU-ZDUSSCGKSA-N 1 0 305.752 3.210 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(N(C)C)cc1 ZINC000772981986 622960168 /nfs/dbraw/zinc/96/01/68/622960168.db2.gz HQMANQOHUVDBAM-AWEZNQCLSA-N 1 0 312.413 3.375 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773009907 622965902 /nfs/dbraw/zinc/96/59/02/622965902.db2.gz PXVKAVGKASMIRD-RDTXWAMCSA-N 1 0 314.429 3.145 20 10 DGCDRO COc1ccc(C[NH2+]CC2(C3CC3)CC2)cc1Cn1cccn1 ZINC000873094171 623035042 /nfs/dbraw/zinc/03/50/42/623035042.db2.gz AWXNKMSWFCWAIZ-UHFFFAOYSA-N 1 0 311.429 3.220 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1C ZINC000873100427 623036334 /nfs/dbraw/zinc/03/63/34/623036334.db2.gz UCBCFJZJUMRGRC-HKUYNNGSSA-N 1 0 319.445 3.212 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2cnccc2OC)cc1C ZINC000873128423 623043187 /nfs/dbraw/zinc/04/31/87/623043187.db2.gz NRBAMGSKJBADCR-UHFFFAOYSA-N 1 0 300.402 3.477 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc1C ZINC000873131262 623043602 /nfs/dbraw/zinc/04/36/02/623043602.db2.gz QSIPGTGXSLEOBS-IAGOWNOFSA-N 1 0 316.445 3.027 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1Cn1cccn1 ZINC000873130787 623044204 /nfs/dbraw/zinc/04/42/04/623044204.db2.gz KWDXZNDEMUQSIP-BPQIPLTHSA-N 1 0 311.429 3.218 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](COC)C2CCOCC2)cc1C ZINC000873134142 623044905 /nfs/dbraw/zinc/04/49/05/623044905.db2.gz KNGVYAATSZBMQF-GOSISDBHSA-N 1 0 321.461 3.315 20 10 DGCDRO C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000873235082 623085873 /nfs/dbraw/zinc/08/58/73/623085873.db2.gz KRGIGLWMBOWITO-BBRMVZONSA-N 1 0 302.393 3.142 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)ccc1OC ZINC000774831745 623197282 /nfs/dbraw/zinc/19/72/82/623197282.db2.gz YGQRTXAENZWZCU-RDJZCZTQSA-N 1 0 307.434 3.136 20 10 DGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000774833919 623197543 /nfs/dbraw/zinc/19/75/43/623197543.db2.gz WNAKWHATCWDBOS-QMTHXVAHSA-N 1 0 314.223 3.059 20 10 DGCDRO COC[C@@H](CC(C)C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000775145041 623234908 /nfs/dbraw/zinc/23/49/08/623234908.db2.gz HNSURLBRGLSSTC-GFCCVEGCSA-N 1 0 316.239 3.305 20 10 DGCDRO CCCN(Cc1ccc2c(c1)OCCO2)c1ccc(C[NH3+])cc1 ZINC000775140317 623235032 /nfs/dbraw/zinc/23/50/32/623235032.db2.gz LTSADVGSCZFIJX-UHFFFAOYSA-N 1 0 312.413 3.333 20 10 DGCDRO CCCN(Cc1cn(-c2ccccc2)nn1)c1ccc(C[NH3+])cc1 ZINC000775139661 623235185 /nfs/dbraw/zinc/23/51/85/623235185.db2.gz DQGXTIOBWASYJW-UHFFFAOYSA-N 1 0 321.428 3.143 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000775415290 623272806 /nfs/dbraw/zinc/27/28/06/623272806.db2.gz NTFJRZKUAYFJJU-QGZVFWFLSA-N 1 0 308.385 3.214 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCC[C@@H]3OC)CC2)cc1 ZINC000775420480 623273276 /nfs/dbraw/zinc/27/32/76/623273276.db2.gz XSLDJRPBJMAQMM-BEFAXECRSA-N 1 0 318.461 3.069 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc(Cl)ccc1O ZINC000775482901 623278344 /nfs/dbraw/zinc/27/83/44/623278344.db2.gz GDZLGXWEOYWOIG-HNNXBMFYSA-N 1 0 318.804 3.385 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccccc1O ZINC000775491007 623279752 /nfs/dbraw/zinc/27/97/52/623279752.db2.gz XPTPDACUPFMNOM-WMLDXEAASA-N 1 0 319.376 3.012 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cc(Cl)ccc1O ZINC000775496612 623280719 /nfs/dbraw/zinc/28/07/19/623280719.db2.gz KNDDVHKJZNWWDG-ZWNOBZJWSA-N 1 0 312.841 3.390 20 10 DGCDRO CC[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775504477 623281383 /nfs/dbraw/zinc/28/13/83/623281383.db2.gz YJXOQAUKSBBOSM-IUODEOHRSA-N 1 0 313.825 3.139 20 10 DGCDRO CC[C@H]([NH2+]CCCc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000775501858 623281670 /nfs/dbraw/zinc/28/16/70/623281670.db2.gz SQLAYFZEOZCOBL-HNNXBMFYSA-N 1 0 307.825 3.453 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CCO)CSC)c1cc(Cl)ccc1O ZINC000775509691 623282260 /nfs/dbraw/zinc/28/22/60/623282260.db2.gz PCVUEAFJFDQAQZ-AAEUAGOBSA-N 1 0 303.855 3.200 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)[C@@H](CO)SC)c1cc(Cl)ccc1O ZINC000775509393 623282280 /nfs/dbraw/zinc/28/22/80/623282280.db2.gz LILXHFJPTWIXHS-LJWDBELGSA-N 1 0 303.855 3.199 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1cc(Cl)ccc1O ZINC000775524534 623284217 /nfs/dbraw/zinc/28/42/17/623284217.db2.gz BKJSYWLGYAPUNR-OCCSQVGLSA-N 1 0 310.825 3.096 20 10 DGCDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000775580873 623293667 /nfs/dbraw/zinc/29/36/67/623293667.db2.gz MZWOIHPGDKBKAJ-KFWWJZLASA-N 1 0 320.433 3.218 20 10 DGCDRO Cn1ccnc1[C@H]([NH2+]CCCSc1nccs1)C1CC1 ZINC000775635178 623299412 /nfs/dbraw/zinc/29/94/12/623299412.db2.gz UWXDQESWNYIHEK-GFCCVEGCSA-N 1 0 308.476 3.100 20 10 DGCDRO CC[N@@H+](Cc1cccc(C)c1O)C[C@H]1COc2ccccc2O1 ZINC000775642594 623301143 /nfs/dbraw/zinc/30/11/43/623301143.db2.gz MJPLFNJPYNMJCS-INIZCTEOSA-N 1 0 313.397 3.363 20 10 DGCDRO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(C)c1O ZINC000775643188 623301938 /nfs/dbraw/zinc/30/19/38/623301938.db2.gz OCBVHVBLSPTCPW-UHFFFAOYSA-N 1 0 312.413 3.334 20 10 DGCDRO Cc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1O ZINC000775676901 623312578 /nfs/dbraw/zinc/31/25/78/623312578.db2.gz AHNDOYZAIBLBPJ-INIZCTEOSA-N 1 0 308.853 3.414 20 10 DGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000775717913 623317922 /nfs/dbraw/zinc/31/79/22/623317922.db2.gz VFJASADHGZFLGW-NHYWBVRUSA-N 1 0 314.832 3.347 20 10 DGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000775717914 623318260 /nfs/dbraw/zinc/31/82/60/623318260.db2.gz VFJASADHGZFLGW-XHDPSFHLSA-N 1 0 314.832 3.347 20 10 DGCDRO CCOC(=O)CCC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000775726928 623319289 /nfs/dbraw/zinc/31/92/89/623319289.db2.gz BMAMYRBNVXASJU-UHFFFAOYSA-N 1 0 305.418 3.256 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775829944 623338212 /nfs/dbraw/zinc/33/82/12/623338212.db2.gz BEMNUBYAXSGBMQ-OWCLPIDISA-N 1 0 317.477 3.193 20 10 DGCDRO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833610 623339254 /nfs/dbraw/zinc/33/92/54/623339254.db2.gz FJSHAHKLYOEIOD-AWEZNQCLSA-N 1 0 312.413 3.390 20 10 DGCDRO COC(=O)c1oc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775834637 623339507 /nfs/dbraw/zinc/33/95/07/623339507.db2.gz BMWRDGZAQYRPKI-CYBMUJFWSA-N 1 0 316.401 3.291 20 10 DGCDRO COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000775943294 623355503 /nfs/dbraw/zinc/35/55/03/623355503.db2.gz XDUOOYUPPWVIBO-UHFFFAOYSA-N 1 0 311.429 3.321 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c1 ZINC000775973565 623358854 /nfs/dbraw/zinc/35/88/54/623358854.db2.gz UNRMFEMJOAEQBQ-OAHLLOKOSA-N 1 0 312.413 3.017 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCN1Cc2ccccc2C1 ZINC000776075567 623371937 /nfs/dbraw/zinc/37/19/37/623371937.db2.gz BSADVEXOGFHUKH-UHFFFAOYSA-N 1 0 302.805 3.151 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1N(C)C ZINC000776163400 623386652 /nfs/dbraw/zinc/38/66/52/623386652.db2.gz AOEHKTQNGPCXEB-UHOSZYNNSA-N 1 0 314.473 3.498 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2nc(C(C)(C)C)cs2)c1 ZINC000776174199 623390082 /nfs/dbraw/zinc/39/00/82/623390082.db2.gz CNTDKGVKSFXPKQ-UHFFFAOYSA-N 1 0 306.431 3.445 20 10 DGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)o1 ZINC000776174760 623390389 /nfs/dbraw/zinc/39/03/89/623390389.db2.gz SPCYIRUJOZSRNR-UHFFFAOYSA-N 1 0 316.401 3.121 20 10 DGCDRO Cc1c(C[N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)cnn1C ZINC000790419930 625652163 /nfs/dbraw/zinc/65/21/63/625652163.db2.gz DVUDOGFAVNPQPW-UHFFFAOYSA-N 1 0 317.433 3.069 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(O)c(C(C)(C)C)c1 ZINC000776774377 623462662 /nfs/dbraw/zinc/46/26/62/623462662.db2.gz BSZMLUCPUYXUPA-OAHLLOKOSA-N 1 0 314.433 3.037 20 10 DGCDRO C[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000776891801 623474850 /nfs/dbraw/zinc/47/48/50/623474850.db2.gz YHGLHDWMKAOFJX-CQSZACIVSA-N 1 0 324.440 3.128 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c(O)c1 ZINC000776948543 623478700 /nfs/dbraw/zinc/47/87/00/623478700.db2.gz FKSXFNCWOLXYMZ-DOTOQJQBSA-N 1 0 307.434 3.474 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777438915 623525002 /nfs/dbraw/zinc/52/50/02/623525002.db2.gz SLQFWAAJXYNHMC-QGZVFWFLSA-N 1 0 321.779 3.278 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1O ZINC000777440478 623526202 /nfs/dbraw/zinc/52/62/02/623526202.db2.gz XKURIJNLYJGKSB-MRXNPFEDSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000777557892 623541583 /nfs/dbraw/zinc/54/15/83/623541583.db2.gz OHPQRLIQLJRMMF-HXUWFJFHSA-N 1 0 322.408 3.105 20 10 DGCDRO CCOC[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000778199419 623624394 /nfs/dbraw/zinc/62/43/94/623624394.db2.gz YCDBBUGIOMYDLT-AWEZNQCLSA-N 1 0 321.421 3.100 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3nccnc3c2)cc1 ZINC000876511229 623631162 /nfs/dbraw/zinc/63/11/62/623631162.db2.gz BIBQFMSHTCNEFH-UHFFFAOYSA-N 1 0 306.413 3.328 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000876571198 623647374 /nfs/dbraw/zinc/64/73/74/623647374.db2.gz HOSFSJHGSOUIQL-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876613865 623659991 /nfs/dbraw/zinc/65/99/91/623659991.db2.gz WVXDHTAEJFZELN-MRXNPFEDSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000876728631 623690890 /nfs/dbraw/zinc/69/08/90/623690890.db2.gz QZVPNBYDDUNLSZ-CYBMUJFWSA-N 1 0 308.422 3.046 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000779015374 623720194 /nfs/dbraw/zinc/72/01/94/623720194.db2.gz UGNAVFVYLDXWMU-UHFFFAOYSA-N 1 0 310.441 3.489 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc2c(cc1O)CCCC2 ZINC000779065648 623726766 /nfs/dbraw/zinc/72/67/66/623726766.db2.gz NIIHTIUEYCAFNR-BBRMVZONSA-N 1 0 311.429 3.133 20 10 DGCDRO CCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000779071487 623727668 /nfs/dbraw/zinc/72/76/68/623727668.db2.gz GIRYJYQWERHSCX-VHSXEESVSA-N 1 0 302.212 3.230 20 10 DGCDRO CCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000779071479 623727704 /nfs/dbraw/zinc/72/77/04/623727704.db2.gz GIRYJYQWERHSCX-UWVGGRQHSA-N 1 0 302.212 3.230 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000876894214 623738366 /nfs/dbraw/zinc/73/83/66/623738366.db2.gz MHEPTSWAEHKADJ-UHFFFAOYSA-N 1 0 310.441 3.455 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CS1 ZINC000876942774 623750582 /nfs/dbraw/zinc/75/05/82/623750582.db2.gz FCQJVCLNDGEROM-ZFWWWQNUSA-N 1 0 308.516 3.223 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CC1(F)F ZINC000876944060 623751209 /nfs/dbraw/zinc/75/12/09/623751209.db2.gz XFZXZGBIYLHQAB-SWLSCSKDSA-N 1 0 312.429 3.373 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)cc1 ZINC000876945426 623751241 /nfs/dbraw/zinc/75/12/41/623751241.db2.gz YLGQLVRUKWIVAO-NVXWUHKLSA-N 1 0 317.477 3.070 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000876949506 623751953 /nfs/dbraw/zinc/75/19/53/623751953.db2.gz SDWHLPHLJZCPSW-QGZVFWFLSA-N 1 0 302.393 3.232 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c(O)c1 ZINC000876957343 623754987 /nfs/dbraw/zinc/75/49/87/623754987.db2.gz XXKDKIZEIITARI-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2ccc(C)cc2O)c(OC)c1 ZINC000876989509 623761442 /nfs/dbraw/zinc/76/14/42/623761442.db2.gz WHCTXVXYRHGEKI-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3Cc4ccccc43)cc2)CC1 ZINC000877017591 623766664 /nfs/dbraw/zinc/76/66/64/623766664.db2.gz ULEFGQVNXRRHTP-SFHVURJKSA-N 1 0 322.452 3.077 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC000877059324 623778622 /nfs/dbraw/zinc/77/86/22/623778622.db2.gz URWYMZIZOJUAHV-HNNXBMFYSA-N 1 0 320.433 3.094 20 10 DGCDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877063813 623780873 /nfs/dbraw/zinc/78/08/73/623780873.db2.gz KPILIZYDVNIRHU-OAHLLOKOSA-N 1 0 322.518 3.269 20 10 DGCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000779605717 623781219 /nfs/dbraw/zinc/78/12/19/623781219.db2.gz XSHUEDMCSBQUAR-HNNXBMFYSA-N 1 0 305.418 3.112 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2cccnc2OCC(F)F)c(O)c1 ZINC000877122845 623796119 /nfs/dbraw/zinc/79/61/19/623796119.db2.gz ASSPIHQBABBQAJ-UHFFFAOYSA-N 1 0 308.328 3.029 20 10 DGCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877175044 623818473 /nfs/dbraw/zinc/81/84/73/623818473.db2.gz XFOIXEQUCBVPJL-CQSZACIVSA-N 1 0 305.418 3.112 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c(O)c1 ZINC000877375005 623861534 /nfs/dbraw/zinc/86/15/34/623861534.db2.gz QVNJYYPPVKDBCT-QGZVFWFLSA-N 1 0 305.805 3.351 20 10 DGCDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877491525 623909375 /nfs/dbraw/zinc/90/93/75/623909375.db2.gz LKOKYELJIHHUCE-RDJZCZTQSA-N 1 0 302.462 3.174 20 10 DGCDRO CCOc1cc(F)cc(C[NH2+]Cc2ccc(OC)cc2O)c1 ZINC000877493029 623910287 /nfs/dbraw/zinc/91/02/87/623910287.db2.gz BKAHZQJNVHFMHJ-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO OC1CCN(c2ccc(C[N@H+](CC3CC3)C3CCC3)cc2)CC1 ZINC000877493151 623910319 /nfs/dbraw/zinc/91/03/19/623910319.db2.gz HGCQGKDZBFHJAW-UHFFFAOYSA-N 1 0 314.473 3.412 20 10 DGCDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000877494096 623911007 /nfs/dbraw/zinc/91/10/07/623911007.db2.gz SNIPQBOFNIDZIW-QKVFXAPYSA-N 1 0 315.350 3.213 20 10 DGCDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000877526840 623924534 /nfs/dbraw/zinc/92/45/34/623924534.db2.gz VOTKJXZTBOREJL-QKVFXAPYSA-N 1 0 315.350 3.213 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000877567265 623944966 /nfs/dbraw/zinc/94/49/66/623944966.db2.gz HZGJJHKPAUTRNM-SJORKVTESA-N 1 0 301.430 3.482 20 10 DGCDRO Cc1ccc(C[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c(O)c1 ZINC000877572916 623948086 /nfs/dbraw/zinc/94/80/86/623948086.db2.gz UEJGXMQFVXRDDL-ZDUSSCGKSA-N 1 0 316.367 3.017 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCC3CC(F)(F)C3)cc2)CC1 ZINC000877577938 623950889 /nfs/dbraw/zinc/95/08/89/623950889.db2.gz OHDHHTACTWICCC-UHFFFAOYSA-N 1 0 324.415 3.173 20 10 DGCDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000877594565 623955675 /nfs/dbraw/zinc/95/56/75/623955675.db2.gz VGRHNYYHXOMJJL-BZUAXINKSA-N 1 0 302.462 3.124 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(C)cccc3O)C2)cc1 ZINC000877620731 623965754 /nfs/dbraw/zinc/96/57/54/623965754.db2.gz MMTVNPMXMCUONC-HNNXBMFYSA-N 1 0 312.413 3.078 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000877641481 623974476 /nfs/dbraw/zinc/97/44/76/623974476.db2.gz VSBBVEGHGHZQAQ-ZDUSSCGKSA-N 1 0 308.422 3.046 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645244 623976751 /nfs/dbraw/zinc/97/67/51/623976751.db2.gz FRZGYXDBXWMHPX-INIZCTEOSA-N 1 0 318.804 3.232 20 10 DGCDRO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877672647 623986772 /nfs/dbraw/zinc/98/67/72/623986772.db2.gz JOWUOEWHJZDJLD-SJORKVTESA-N 1 0 301.361 3.229 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC(Cc2nccs2)CC1 ZINC000877675450 623988265 /nfs/dbraw/zinc/98/82/65/623988265.db2.gz ZPLLJCHZKKMDDW-UHFFFAOYSA-N 1 0 306.406 3.443 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCc3cccc(NC(C)=O)c3C2)c1O ZINC000877680939 623989446 /nfs/dbraw/zinc/98/94/46/623989446.db2.gz BKQXNYMGFCWMAZ-UHFFFAOYSA-N 1 0 324.424 3.471 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2cnc(C)s2)cc1OC ZINC000877684845 623991535 /nfs/dbraw/zinc/99/15/35/623991535.db2.gz AKRVMVRNCBGBNW-VIFPVBQESA-N 1 0 308.403 3.025 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000877709912 624000933 /nfs/dbraw/zinc/00/09/33/624000933.db2.gz KTDSLDOAYWJNIT-HKUYNNGSSA-N 1 0 302.462 3.356 20 10 DGCDRO C[C@@H]([NH2+]CC1(CNC(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000877755593 624022096 /nfs/dbraw/zinc/02/20/96/624022096.db2.gz HORXHBBDHZAFGU-CYBMUJFWSA-N 1 0 320.433 3.348 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C[C@H]1C ZINC000877757055 624023394 /nfs/dbraw/zinc/02/33/94/624023394.db2.gz CZOWFVNGMCHQJQ-LXTVHRRPSA-N 1 0 305.418 3.411 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1ncc(Br)s1 ZINC000877767329 624028047 /nfs/dbraw/zinc/02/80/47/624028047.db2.gz ZPBZNPXDWJCTFH-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO COc1c([O-])c(C[NH2+]CCC[C@@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000877807546 624040243 /nfs/dbraw/zinc/04/02/43/624040243.db2.gz WZBJTASZKGKFQW-GFCCVEGCSA-N 1 0 306.362 3.145 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)c(O)c1 ZINC000877810599 624042380 /nfs/dbraw/zinc/04/23/80/624042380.db2.gz XCEKECJDMWYIEK-UHFFFAOYSA-N 1 0 300.402 3.493 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000877811752 624043238 /nfs/dbraw/zinc/04/32/38/624043238.db2.gz VZEHJPFADSNVEN-HNNXBMFYSA-N 1 0 305.805 3.047 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H](C(F)(F)F)O1 ZINC000877824302 624056038 /nfs/dbraw/zinc/05/60/38/624056038.db2.gz QZMCXEYPRADATI-TVQRCGJNSA-N 1 0 307.287 3.073 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000877825417 624057396 /nfs/dbraw/zinc/05/73/96/624057396.db2.gz ZYEVIMBVCSHARO-DGCLKSJQSA-N 1 0 303.324 3.242 20 10 DGCDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000877831546 624061716 /nfs/dbraw/zinc/06/17/16/624061716.db2.gz YUFRAMPEACSDLI-ZDUSSCGKSA-N 1 0 313.397 3.176 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CC(C)(C)CO3)CC2)cc1 ZINC000877983123 624124267 /nfs/dbraw/zinc/12/42/67/624124267.db2.gz GPNPKVVISJUUGF-GOSISDBHSA-N 1 0 318.461 3.022 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)cc1F ZINC000126885651 624162875 /nfs/dbraw/zinc/16/28/75/624162875.db2.gz GIWALDPTQJMAKO-GOSISDBHSA-N 1 0 316.420 3.447 20 10 DGCDRO Cc1cc(Br)c(O)c(CN(C)Cc2ccon2)c1 ZINC000781913994 624170353 /nfs/dbraw/zinc/17/03/53/624170353.db2.gz VMQBLMDGWGIWTO-UHFFFAOYSA-N 1 0 311.179 3.083 20 10 DGCDRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000783244261 624330100 /nfs/dbraw/zinc/33/01/00/624330100.db2.gz FOSUAYNJBVDWKD-DAXOMENPSA-N 1 0 308.853 3.398 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Br)ccc1O ZINC000783308452 624337482 /nfs/dbraw/zinc/33/74/82/624337482.db2.gz DXDABDVOBMRCAY-PWSUYJOCSA-N 1 0 312.207 3.498 20 10 DGCDRO CC(C)OC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000783520682 624361199 /nfs/dbraw/zinc/36/11/99/624361199.db2.gz CTBNYFMUVCRUOM-ZDUSSCGKSA-N 1 0 306.406 3.052 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)c1O ZINC000783593730 624372314 /nfs/dbraw/zinc/37/23/14/624372314.db2.gz DJBZHAZFZMDJFS-UHFFFAOYSA-N 1 0 323.396 3.091 20 10 DGCDRO Cc1ccc(C[N@@H+](CCO)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000783602769 624373491 /nfs/dbraw/zinc/37/34/91/624373491.db2.gz LVOQTPWYWVUAQQ-UHFFFAOYSA-N 1 0 316.420 3.195 20 10 DGCDRO CS[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000784625516 624560246 /nfs/dbraw/zinc/56/02/46/624560246.db2.gz GEAWYGQNTSJODN-QGZVFWFLSA-N 1 0 322.518 3.391 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000784625731 624560441 /nfs/dbraw/zinc/56/04/41/624560441.db2.gz MXTYFIYQSHGTFX-INIZCTEOSA-N 1 0 303.402 3.339 20 10 DGCDRO CC(C)N(C(=O)C[NH2+][C@H](C)c1ccccc1O)C1CCCC1 ZINC000879648262 624621297 /nfs/dbraw/zinc/62/12/97/624621297.db2.gz HDYLWIMHTNONAI-CQSZACIVSA-N 1 0 304.434 3.222 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N(C)Cc1ccccc1 ZINC000879649702 624622517 /nfs/dbraw/zinc/62/25/17/624622517.db2.gz SUBRVEJGMGVFDN-HUUCEWRRSA-N 1 0 312.413 3.090 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NCC1CCCCC1 ZINC000879648794 624623144 /nfs/dbraw/zinc/62/31/44/624623144.db2.gz DXALRWGLFGHWFD-ZIAGYGMSSA-N 1 0 304.434 3.128 20 10 DGCDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651663 624624055 /nfs/dbraw/zinc/62/40/55/624624055.db2.gz FVSABJYJMPTMMX-JKSUJKDBSA-N 1 0 315.413 3.100 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1O ZINC000879650591 624624664 /nfs/dbraw/zinc/62/46/64/624624664.db2.gz IQRJSHRORDPNBH-ZFWWWQNUSA-N 1 0 312.369 3.068 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)c([N+](=O)[O-])cc1F ZINC000879650734 624624718 /nfs/dbraw/zinc/62/47/18/624624718.db2.gz QDDSYSBTPJMFKU-JTQLQIEISA-N 1 0 320.320 3.299 20 10 DGCDRO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000879652260 624626065 /nfs/dbraw/zinc/62/60/65/624626065.db2.gz BOTGZJPNQAIDDV-LSDHHAIUSA-N 1 0 312.413 3.484 20 10 DGCDRO C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653759 624626577 /nfs/dbraw/zinc/62/65/77/624626577.db2.gz WHHKOAACEFWGJB-LSDHHAIUSA-N 1 0 312.413 3.262 20 10 DGCDRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879653366 624626752 /nfs/dbraw/zinc/62/67/52/624626752.db2.gz PGYPXXNFRHLPPJ-STQMWFEESA-N 1 0 314.385 3.079 20 10 DGCDRO CC1(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000785468929 624671199 /nfs/dbraw/zinc/67/11/99/624671199.db2.gz MHUAMFQKAKPVBU-OAHLLOKOSA-N 1 0 308.853 3.400 20 10 DGCDRO Cc1cc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)ccc1N(C)C ZINC000880051002 624767908 /nfs/dbraw/zinc/76/79/08/624767908.db2.gz QDONGGUGYSQPLJ-HNNXBMFYSA-N 1 0 316.367 3.214 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCCOC1 ZINC000880467227 624963330 /nfs/dbraw/zinc/96/33/30/624963330.db2.gz YNZVBDCOELIXND-WBMJQRKESA-N 1 0 309.381 3.029 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC000786936564 624965675 /nfs/dbraw/zinc/96/56/75/624965675.db2.gz FTAKIYHAMOVLCE-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO Oc1ccccc1C[N@@H+](C[C@@H](O)CC(F)(F)F)C1CCCC1 ZINC000787245669 624991526 /nfs/dbraw/zinc/99/15/26/624991526.db2.gz KNPKDDIBLPCYLZ-AWEZNQCLSA-N 1 0 317.351 3.450 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@]1(C)CCCO1 ZINC000788541036 625212134 /nfs/dbraw/zinc/21/21/34/625212134.db2.gz BDLOFLCMZZAGSM-CRAIPNDOSA-N 1 0 320.502 3.287 20 10 DGCDRO C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788574405 625218022 /nfs/dbraw/zinc/21/80/22/625218022.db2.gz SZLURFALCMJYCU-NSHDSACASA-N 1 0 304.356 3.403 20 10 DGCDRO CCn1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1=O ZINC000788605209 625225048 /nfs/dbraw/zinc/22/50/48/625225048.db2.gz NBDLJFKWMSGYCO-AWEZNQCLSA-N 1 0 300.402 3.041 20 10 DGCDRO CCn1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1=O ZINC000788605931 625226823 /nfs/dbraw/zinc/22/68/23/625226823.db2.gz TXUDDCNTYCYPOX-NSHDSACASA-N 1 0 306.793 3.078 20 10 DGCDRO CC[C@H]([NH2+][C@H](COC)[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000788618449 625229804 /nfs/dbraw/zinc/22/98/04/625229804.db2.gz FWVJJAQTEDPKMD-SQWLQELKSA-N 1 0 313.825 3.280 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000790992264 625733667 /nfs/dbraw/zinc/73/36/67/625733667.db2.gz WBJAIFOXLWVIHT-OAHLLOKOSA-N 1 0 312.461 3.455 20 10 DGCDRO C[C@H](c1ccccc1F)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000129734871 625756267 /nfs/dbraw/zinc/75/62/67/625756267.db2.gz SUCSYARLRAZPIR-LLVKDONJSA-N 1 0 303.333 3.453 20 10 DGCDRO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882892248 625848863 /nfs/dbraw/zinc/84/88/63/625848863.db2.gz RKNJSRVAOGVIMD-CYBMUJFWSA-N 1 0 312.404 3.415 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1Cc1ccccc1)OCO2 ZINC000026232861 625862305 /nfs/dbraw/zinc/86/23/05/625862305.db2.gz FGIYHVZYALZBST-INIZCTEOSA-N 1 0 311.381 3.328 20 10 DGCDRO CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000882981728 625882151 /nfs/dbraw/zinc/88/21/51/625882151.db2.gz RXMRHDBUCDLXNX-UHFFFAOYSA-N 1 0 320.383 3.412 20 10 DGCDRO CC(C)(O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796297570 626036137 /nfs/dbraw/zinc/03/61/37/626036137.db2.gz IXQMLNRIPPTERP-UHFFFAOYSA-N 1 0 310.441 3.110 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc2[nH]c(=O)oc2c1 ZINC000796739061 626078066 /nfs/dbraw/zinc/07/80/66/626078066.db2.gz PCWXKRXDMHJVKI-NSHDSACASA-N 1 0 310.353 3.319 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)COC(C)C)CC2)cc1 ZINC000800231688 626343601 /nfs/dbraw/zinc/34/36/01/626343601.db2.gz GPHUQHOMTJYTPK-OAHLLOKOSA-N 1 0 306.450 3.067 20 10 DGCDRO FC1(F)CCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000800277477 626347317 /nfs/dbraw/zinc/34/73/17/626347317.db2.gz UAPPKJXEWOSQES-MRXNPFEDSA-N 1 0 324.415 3.438 20 10 DGCDRO CCCC[N@H+](CC(=O)N1CCC[C@H](C)C1)Cc1ccccc1O ZINC000801596076 626411467 /nfs/dbraw/zinc/41/14/67/626411467.db2.gz NYRSEXYPWAUDLU-INIZCTEOSA-N 1 0 318.461 3.253 20 10 DGCDRO CCCC[N@H+](CCOC[C@@H]1CCCO1)Cc1ccccc1O ZINC000801597161 626411647 /nfs/dbraw/zinc/41/16/47/626411647.db2.gz CPXQGINCDJHJMJ-KRWDZBQOSA-N 1 0 307.434 3.190 20 10 DGCDRO CCCCNC(=O)[C@H](C)[N@H+](CCCC)Cc1ccccc1O ZINC000801598514 626411928 /nfs/dbraw/zinc/41/19/28/626411928.db2.gz BGHBDEWWZKBWGI-HNNXBMFYSA-N 1 0 306.450 3.299 20 10 DGCDRO Cn1cc(-c2ccc(C[N@H+](C)Cc3ccccc3O)s2)cn1 ZINC000802637611 626564043 /nfs/dbraw/zinc/56/40/43/626564043.db2.gz FTXPJLFWRFFMCX-UHFFFAOYSA-N 1 0 313.426 3.486 20 10 DGCDRO COc1cc(O)c(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000802659981 626565736 /nfs/dbraw/zinc/56/57/36/626565736.db2.gz TZDMSOCCBHQAKI-CHWSQXEVSA-N 1 0 323.433 3.093 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000802658109 626565862 /nfs/dbraw/zinc/56/58/62/626565862.db2.gz KBJBCJVLEFOLNY-UHFFFAOYSA-N 1 0 300.358 3.283 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cc(Cl)ccc1O ZINC000883276673 626633912 /nfs/dbraw/zinc/63/39/12/626633912.db2.gz OFTZHWPENKSWJQ-DGCLKSJQSA-N 1 0 309.793 3.140 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)c(O)c1C ZINC000883276457 626633929 /nfs/dbraw/zinc/63/39/29/626633929.db2.gz LGZPHZUKCIHUAE-HOCLYGCPSA-N 1 0 303.402 3.104 20 10 DGCDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000883319625 626645932 /nfs/dbraw/zinc/64/59/32/626645932.db2.gz JQFLINHLZMIYHO-JBLDHEPKSA-N 1 0 314.223 3.230 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1C ZINC000131602396 626658469 /nfs/dbraw/zinc/65/84/69/626658469.db2.gz MCYBOVZYRYAIQM-KRWDZBQOSA-N 1 0 316.445 3.032 20 10 DGCDRO CCc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)nc1 ZINC000883383927 626668254 /nfs/dbraw/zinc/66/82/54/626668254.db2.gz IXPZHGGPHWFRAF-UHFFFAOYSA-N 1 0 311.429 3.217 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000132702968 626735867 /nfs/dbraw/zinc/73/58/67/626735867.db2.gz DVIJANBFKZNHFP-UHFFFAOYSA-N 1 0 324.472 3.346 20 10 DGCDRO COC[C@@H]1CC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000840083693 626745802 /nfs/dbraw/zinc/74/58/02/626745802.db2.gz QBOWSXXJFIDULY-LBPRGKRZSA-N 1 0 301.386 3.238 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)CCC2 ZINC000840118728 626770343 /nfs/dbraw/zinc/77/03/43/626770343.db2.gz ZSHYCFPTTYLNJP-GUDVDZBRSA-N 1 0 315.457 3.396 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1 ZINC000133704925 626833138 /nfs/dbraw/zinc/83/31/38/626833138.db2.gz RNLOVCSIMOOURO-OAHLLOKOSA-N 1 0 320.433 3.094 20 10 DGCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808702199 626851072 /nfs/dbraw/zinc/85/10/72/626851072.db2.gz CPPIMRDUHSCWAZ-AAEUAGOBSA-N 1 0 310.825 3.016 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O ZINC000808706553 626851680 /nfs/dbraw/zinc/85/16/80/626851680.db2.gz MRSOKLBOHNJPGW-SQWGHXPGSA-N 1 0 322.836 3.014 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1O ZINC000808707525 626851926 /nfs/dbraw/zinc/85/19/26/626851926.db2.gz RHGMIQDQNVIJDE-AAEUAGOBSA-N 1 0 310.825 3.014 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)[C@H]1CCCO1 ZINC000808715492 626853035 /nfs/dbraw/zinc/85/30/35/626853035.db2.gz GWRHXEQGHZJMGA-BYCMXARLSA-N 1 0 313.825 3.199 20 10 DGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808714001 626853342 /nfs/dbraw/zinc/85/33/42/626853342.db2.gz LHXRQHLHHWJTNS-NILFDRSVSA-N 1 0 313.825 3.199 20 10 DGCDRO COCCn1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000808717459 626853367 /nfs/dbraw/zinc/85/33/67/626853367.db2.gz IYMTZADZSKSUNG-LBPRGKRZSA-N 1 0 323.824 3.048 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000134239262 626865842 /nfs/dbraw/zinc/86/58/42/626865842.db2.gz WTTSREGMOGXSGS-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000884482806 626887414 /nfs/dbraw/zinc/88/74/14/626887414.db2.gz ICQCLRLLALRBJH-GUYCJALGSA-N 1 0 319.445 3.396 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCSC3(CCC3)CC2)cc1OC ZINC000840173354 626910147 /nfs/dbraw/zinc/91/01/47/626910147.db2.gz AJYKFHFLKWIAGT-UHFFFAOYSA-N 1 0 323.458 3.271 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCOc3ccc(C)cc3C2)c1 ZINC000809702960 626938766 /nfs/dbraw/zinc/93/87/66/626938766.db2.gz BGFSWDSQYYKNBL-UHFFFAOYSA-N 1 0 313.397 3.494 20 10 DGCDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000809711369 626939725 /nfs/dbraw/zinc/93/97/25/626939725.db2.gz VOZSLGKPDUQUGK-INIZCTEOSA-N 1 0 313.397 3.444 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1O ZINC000809722546 626941948 /nfs/dbraw/zinc/94/19/48/626941948.db2.gz BJYXCAGPBIZIRD-INIZCTEOSA-N 1 0 305.805 3.047 20 10 DGCDRO C[NH+](C)CCN(Cc1cccc(F)c1)Cc1ccccc1O ZINC000809738288 626944141 /nfs/dbraw/zinc/94/41/41/626944141.db2.gz WFUQMSUIEPUHIP-UHFFFAOYSA-N 1 0 302.393 3.095 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cnc(C(C)(C)C)s2)c1O ZINC000809740334 626944791 /nfs/dbraw/zinc/94/47/91/626944791.db2.gz ULONCJGJDLWNGK-UHFFFAOYSA-N 1 0 306.431 3.445 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cnc(-c3ccco3)s2)c1O ZINC000809740285 626945089 /nfs/dbraw/zinc/94/50/89/626945089.db2.gz SETYLWNQVKWJFV-UHFFFAOYSA-N 1 0 316.382 3.407 20 10 DGCDRO COc1cccc(C2(C[NH2+]Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000810157493 626982310 /nfs/dbraw/zinc/98/23/10/626982310.db2.gz RQCSSEOITFFUKC-UHFFFAOYSA-N 1 0 309.409 3.452 20 10 DGCDRO OC[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)C[C@H]1c1ccccc1 ZINC000810164194 626982761 /nfs/dbraw/zinc/98/27/61/626982761.db2.gz AWWZKGPSBCIZAI-FUHWJXTLSA-N 1 0 317.816 3.301 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1F ZINC000810178385 626985191 /nfs/dbraw/zinc/98/51/91/626985191.db2.gz ODILJJGIUYDELW-QGZVFWFLSA-N 1 0 308.441 3.313 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3c(C)cccc3C2)c1 ZINC000810259603 626993886 /nfs/dbraw/zinc/99/38/86/626993886.db2.gz NFOJSVDPCHHIOD-DZGCQCFKSA-N 1 0 313.397 3.364 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000136156378 627046234 /nfs/dbraw/zinc/04/62/34/627046234.db2.gz PXGULZWLZRBAFY-KRWDZBQOSA-N 1 0 322.811 3.368 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2OCC(F)F)c1 ZINC000885986072 627076718 /nfs/dbraw/zinc/07/67/18/627076718.db2.gz XQMMQYTXPRAHQF-UHFFFAOYSA-N 1 0 323.339 3.335 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1c([O-])cccc1F ZINC000886497014 627153207 /nfs/dbraw/zinc/15/32/07/627153207.db2.gz OMNVTMQAALMNCB-LBPRGKRZSA-N 1 0 316.376 3.084 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000886513148 627155351 /nfs/dbraw/zinc/15/53/51/627155351.db2.gz VHPZPYJLJWCSHK-HNAYVOBHSA-N 1 0 323.440 3.256 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2F)c(O)c1C ZINC000886675070 627186842 /nfs/dbraw/zinc/18/68/42/627186842.db2.gz WMBUCOMXHXDQRQ-GOEBONIOSA-N 1 0 317.404 3.402 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cc(F)ccc2OC)c1 ZINC000886724191 627197663 /nfs/dbraw/zinc/19/76/63/627197663.db2.gz ZJLLCKGTHZEJAZ-GFCCVEGCSA-N 1 0 319.376 3.442 20 10 DGCDRO CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000886787569 627204540 /nfs/dbraw/zinc/20/45/40/627204540.db2.gz YFYJVRAXUFVFOF-NEWSRXKRSA-N 1 0 320.477 3.235 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)[C@@H]1CCCOC1 ZINC000886788585 627204766 /nfs/dbraw/zinc/20/47/66/627204766.db2.gz DYJLKODAFZIDRE-INMHGKMJSA-N 1 0 307.434 3.101 20 10 DGCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000811517672 627286349 /nfs/dbraw/zinc/28/63/49/627286349.db2.gz YWZZYKPWJNGQNO-GHMZBOCLSA-N 1 0 304.356 3.284 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811781147 627321968 /nfs/dbraw/zinc/32/19/68/627321968.db2.gz YYTZGTAXFNGBIV-YOEHRIQHSA-N 1 0 305.418 3.099 20 10 DGCDRO Cc1[nH]c2ccccc2c1C1=CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000811822649 627326254 /nfs/dbraw/zinc/32/62/54/627326254.db2.gz LBRYPUWTYKPMAO-UHFFFAOYSA-N 1 0 319.412 3.451 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](n4cccn4)C3)c2c1 ZINC000812294420 627367867 /nfs/dbraw/zinc/36/78/67/627367867.db2.gz MNOHEMDDPLBSGN-OAHLLOKOSA-N 1 0 323.396 3.198 20 10 DGCDRO COCC[C@@H]1COCC[N@@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000812297429 627368540 /nfs/dbraw/zinc/36/85/40/627368540.db2.gz HRCAKKKGUNWOOL-MRXNPFEDSA-N 1 0 307.434 3.061 20 10 DGCDRO C=Cc1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000812772229 627418203 /nfs/dbraw/zinc/41/82/03/627418203.db2.gz BOTJPCQUCYERQF-UHFFFAOYSA-N 1 0 322.452 3.499 20 10 DGCDRO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)o1 ZINC000815030637 627617773 /nfs/dbraw/zinc/61/77/73/627617773.db2.gz PZUOADQXCCXRSP-MRXNPFEDSA-N 1 0 314.433 3.132 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)Cc1ccc(F)cc1 ZINC000815055381 627619907 /nfs/dbraw/zinc/61/99/07/627619907.db2.gz YTBFCAOFMLZIBF-GOSISDBHSA-N 1 0 317.404 3.347 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1O ZINC000815083371 627624716 /nfs/dbraw/zinc/62/47/16/627624716.db2.gz OIXRALKKSVCWOL-RDJZCZTQSA-N 1 0 303.377 3.176 20 10 DGCDRO Cc1ccc(C[N@@H+](CCO)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000815090234 627625052 /nfs/dbraw/zinc/62/50/52/627625052.db2.gz IBMAPNJUJKKHMT-UHFFFAOYSA-N 1 0 312.457 3.364 20 10 DGCDRO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815096227 627626303 /nfs/dbraw/zinc/62/63/03/627626303.db2.gz ZAPGXFRGRYQTQV-HNNXBMFYSA-N 1 0 304.459 3.254 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCC(=O)NC)cc1 ZINC000815117308 627629375 /nfs/dbraw/zinc/62/93/75/627629375.db2.gz NRPGKDHFZAKNAW-SFHVURJKSA-N 1 0 317.477 3.023 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c(O)c1 ZINC000815553895 627684341 /nfs/dbraw/zinc/68/43/41/627684341.db2.gz MQJJTCRALZYAJX-LSDHHAIUSA-N 1 0 313.397 3.500 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCCCCC2=O)c(O)c1 ZINC000815553791 627684442 /nfs/dbraw/zinc/68/44/42/627684442.db2.gz KBFHHMLKQJTMND-MRXNPFEDSA-N 1 0 318.461 3.452 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c(O)c1 ZINC000815557747 627685044 /nfs/dbraw/zinc/68/50/44/627685044.db2.gz CQPSNYUEYSNGSM-CZUORRHYSA-N 1 0 311.429 3.316 20 10 DGCDRO CN1CC[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815576535 627686130 /nfs/dbraw/zinc/68/61/30/627686130.db2.gz SHYCMXCRKFBHHF-IEBWSBKVSA-N 1 0 310.441 3.360 20 10 DGCDRO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000924862636 627688520 /nfs/dbraw/zinc/68/85/20/627688520.db2.gz QWYJRDQAJCGKLM-GFCCVEGCSA-N 1 0 303.381 3.146 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598154 627690002 /nfs/dbraw/zinc/69/00/02/627690002.db2.gz NVIGGBIPJRHITN-GMTAPVOTSA-N 1 0 303.324 3.365 20 10 DGCDRO COC(=O)N1CCC(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815626087 627692436 /nfs/dbraw/zinc/69/24/36/627692436.db2.gz VIOJCGSAOQYNJF-CQSZACIVSA-N 1 0 320.433 3.138 20 10 DGCDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000925101492 627708810 /nfs/dbraw/zinc/70/88/10/627708810.db2.gz IGJYQFABIXKLKF-STQMWFEESA-N 1 0 300.493 3.276 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000925785882 627795351 /nfs/dbraw/zinc/79/53/51/627795351.db2.gz PTIUVMWUSHZJKW-BBBLOLIVSA-N 1 0 303.233 3.205 20 10 DGCDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816506394 627798344 /nfs/dbraw/zinc/79/83/44/627798344.db2.gz ATXFZGNXKLJGCB-KRWDZBQOSA-N 1 0 324.424 3.132 20 10 DGCDRO CC(C)CO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816520148 627801191 /nfs/dbraw/zinc/80/11/91/627801191.db2.gz HNFNSTGRROKXOR-LBPRGKRZSA-N 1 0 301.789 3.432 20 10 DGCDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816568530 627809055 /nfs/dbraw/zinc/80/90/55/627809055.db2.gz JDNRCHWPIFPWSQ-QWHCGFSZSA-N 1 0 301.386 3.223 20 10 DGCDRO CCOC(CC[NH2+]Cc1ccc2ccccc2c1O)OCC ZINC000816589014 627811297 /nfs/dbraw/zinc/81/12/97/627811297.db2.gz IRRJEICHBABPTJ-UHFFFAOYSA-N 1 0 303.402 3.424 20 10 DGCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594942 627812200 /nfs/dbraw/zinc/81/22/00/627812200.db2.gz UDHVTCIPOQMTHF-CMPLNLGQSA-N 1 0 301.789 3.310 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816626010 627816358 /nfs/dbraw/zinc/81/63/58/627816358.db2.gz SGYXLJFWRBFMMT-AWEZNQCLSA-N 1 0 314.429 3.187 20 10 DGCDRO CC(C)[C@H]1[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000816624616 627816529 /nfs/dbraw/zinc/81/65/29/627816529.db2.gz AXIZAYILAOOKJO-GOSISDBHSA-N 1 0 302.462 3.390 20 10 DGCDRO Cc1cccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1O ZINC000816643403 627819175 /nfs/dbraw/zinc/81/91/75/627819175.db2.gz DTGRPEJTKMUJKK-UHFFFAOYSA-N 1 0 310.319 3.447 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)CC23CCC3)c1O ZINC000817289799 627878946 /nfs/dbraw/zinc/87/89/46/627878946.db2.gz DIHAGEOMMOEOJM-CQSZACIVSA-N 1 0 323.820 3.128 20 10 DGCDRO CC[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H](CC)O1 ZINC000817366197 627890074 /nfs/dbraw/zinc/89/00/74/627890074.db2.gz PZYUDUOTMGBCHZ-GASCZTMLSA-N 1 0 300.402 3.330 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)COC4)cc2)CC1 ZINC000817408777 627894337 /nfs/dbraw/zinc/89/43/37/627894337.db2.gz OJOXDSIIGOQNAX-UHFFFAOYSA-N 1 0 323.440 3.081 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2cnnn2C)c(C)n1-c1cccc(C)c1 ZINC000926764313 627948955 /nfs/dbraw/zinc/94/89/55/627948955.db2.gz JDPSIWLVFJNXSS-OAHLLOKOSA-N 1 0 323.444 3.382 20 10 DGCDRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817938655 627967322 /nfs/dbraw/zinc/96/73/22/627967322.db2.gz OYUOHGYPLIACFH-BDJLRTHQSA-N 1 0 318.490 3.177 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817939118 627967663 /nfs/dbraw/zinc/96/76/63/627967663.db2.gz ZEZGXRIWUUKZNH-CZUORRHYSA-N 1 0 303.475 3.473 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000817938791 627967896 /nfs/dbraw/zinc/96/78/96/627967896.db2.gz SLMGXSZXBPVSCA-ACJLOTCBSA-N 1 0 301.409 3.242 20 10 DGCDRO CC[C@@H](Cc1cccs1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817941127 627968586 /nfs/dbraw/zinc/96/85/86/627968586.db2.gz JCZHDNYUFDHOLB-YJBOKZPZSA-N 1 0 317.502 3.425 20 10 DGCDRO CC[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000817941890 627969026 /nfs/dbraw/zinc/96/90/26/627969026.db2.gz SVYIAVYWXXFMHL-AAEUAGOBSA-N 1 0 302.340 3.204 20 10 DGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)cn1 ZINC000817942624 627969978 /nfs/dbraw/zinc/96/99/78/627969978.db2.gz QBMQQAVLEGNQBM-LRDDRELGSA-N 1 0 318.852 3.152 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817945721 627970628 /nfs/dbraw/zinc/97/06/28/627970628.db2.gz KHTDIWDQOOKLFM-MNOVXSKESA-N 1 0 302.340 3.061 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817955028 627973646 /nfs/dbraw/zinc/97/36/46/627973646.db2.gz OXGNEOSMQJDVDJ-ZJUUUORDSA-N 1 0 303.233 3.349 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)OCCCO2 ZINC000817956044 627974231 /nfs/dbraw/zinc/97/42/31/627974231.db2.gz OLXJZYXNDAPZBS-AWEZNQCLSA-N 1 0 312.413 3.323 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cnn(Cc2ccccc2)c1 ZINC000817956207 627974304 /nfs/dbraw/zinc/97/43/04/627974304.db2.gz TVDVSXVAPJQWPO-MRXNPFEDSA-N 1 0 320.440 3.407 20 10 DGCDRO COc1ccc(O)c([C@@H](C)NCC[NH2+]C2CCCCCC2)c1 ZINC000817961272 627975512 /nfs/dbraw/zinc/97/55/12/627975512.db2.gz ZWCQQYSAGRBVJM-CQSZACIVSA-N 1 0 306.450 3.364 20 10 DGCDRO CCCC[C@@H](CN)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000817961681 627975931 /nfs/dbraw/zinc/97/59/31/627975931.db2.gz CGVNXSPYRLWYEF-PWSUYJOCSA-N 1 0 315.255 3.323 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000817960800 627976010 /nfs/dbraw/zinc/97/60/10/627976010.db2.gz QMPIFFMHYGQRPQ-SSDOTTSWSA-N 1 0 321.646 3.196 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968518 627979181 /nfs/dbraw/zinc/97/91/81/627979181.db2.gz KUVAJGRSBWXERF-NXEZZACHSA-N 1 0 303.233 3.492 20 10 DGCDRO CC[NH2+][C@H](C)CN[C@@H](C)c1cc(Br)cc(C)c1O ZINC000817973495 627980373 /nfs/dbraw/zinc/98/03/73/627980373.db2.gz UNXRLWGOTUYSHZ-MNOVXSKESA-N 1 0 315.255 3.112 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1cc(F)ccc1O ZINC000926919820 627981279 /nfs/dbraw/zinc/98/12/79/627981279.db2.gz GCACKIPEOJFHFH-JQWIXIFHSA-N 1 0 320.330 3.209 20 10 DGCDRO C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817976853 627981821 /nfs/dbraw/zinc/98/18/21/627981821.db2.gz VNDSFDMWXKXKAH-BPUTZDHNSA-N 1 0 323.431 3.167 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000817977931 627981887 /nfs/dbraw/zinc/98/18/87/627981887.db2.gz RSJUTCAHTCRBAE-DTWKUNHWSA-N 1 0 319.218 3.072 20 10 DGCDRO CC[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1O ZINC000817980116 627982784 /nfs/dbraw/zinc/98/27/84/627982784.db2.gz IUUILYBMZUXUKA-WCQYABFASA-N 1 0 304.768 3.084 20 10 DGCDRO C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984366 627983138 /nfs/dbraw/zinc/98/31/38/627983138.db2.gz RHFMFSKBWCSKLQ-SECBINFHSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817983921 627983695 /nfs/dbraw/zinc/98/36/95/627983695.db2.gz LSYJGMWPCIVLCX-UWVGGRQHSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2c1c(F)ccc2O ZINC000926937552 627985169 /nfs/dbraw/zinc/98/51/69/627985169.db2.gz PDXLWPUOIXBVMF-JYKNGBAOSA-N 1 0 303.377 3.260 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000818076207 627992432 /nfs/dbraw/zinc/99/24/32/627992432.db2.gz DHEAHBNFEMAQPC-KRWDZBQOSA-N 1 0 318.461 3.429 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)n1 ZINC000927055628 628003655 /nfs/dbraw/zinc/00/36/55/628003655.db2.gz GLRLNZBOUDHOII-MGPQQGTHSA-N 1 0 313.401 3.251 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(C)cn3)C2)cc1 ZINC000818222417 628006435 /nfs/dbraw/zinc/00/64/35/628006435.db2.gz SIRRPBPGZHDEMP-INIZCTEOSA-N 1 0 311.429 3.015 20 10 DGCDRO CC[C@H]([NH2+]CCOC1CCOCC1)c1cc(Cl)ccc1O ZINC000927079126 628009726 /nfs/dbraw/zinc/00/97/26/628009726.db2.gz KPDUPTNDWFYDPQ-HNNXBMFYSA-N 1 0 313.825 3.282 20 10 DGCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)C[C@H]2C1 ZINC000818331489 628013564 /nfs/dbraw/zinc/01/35/64/628013564.db2.gz WGGNAYVARNTFIH-GEEKYZPCSA-N 1 0 306.425 3.185 20 10 DGCDRO C[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(Cl)cc1O ZINC000927119338 628020278 /nfs/dbraw/zinc/02/02/78/628020278.db2.gz VCHFXQMCWATDOP-VIFPVBQESA-N 1 0 324.833 3.426 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1Cl ZINC000818996950 628075545 /nfs/dbraw/zinc/07/55/45/628075545.db2.gz NGLVYNHMAXDENR-INIZCTEOSA-N 1 0 321.779 3.237 20 10 DGCDRO O[C@@H](C[NH2+]CCCSc1nccs1)c1ccc(F)cc1 ZINC000819062088 628085180 /nfs/dbraw/zinc/08/51/80/628085180.db2.gz BEKXMZMFBHGTCI-ZDUSSCGKSA-N 1 0 312.435 3.088 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000929152905 628217561 /nfs/dbraw/zinc/21/75/61/628217561.db2.gz IPTSKQMQWAGRMQ-FVQHAEBGSA-N 1 0 318.461 3.021 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822530183 628461708 /nfs/dbraw/zinc/46/17/08/628461708.db2.gz SSZNFAREGFQJOB-SFHVURJKSA-N 1 0 317.429 3.182 20 10 DGCDRO Cc1cnc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000824160800 628633156 /nfs/dbraw/zinc/63/31/56/628633156.db2.gz KEYRIFFGQXVZJD-UHFFFAOYSA-N 1 0 305.447 3.028 20 10 DGCDRO COc1cc(C[N@H+](CCO)C2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000824484253 628664973 /nfs/dbraw/zinc/66/49/73/628664973.db2.gz AAXYPBWKAJIHIO-UHFFFAOYSA-N 1 0 321.461 3.435 20 10 DGCDRO CC[N@@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCOC1 ZINC000824575656 628672298 /nfs/dbraw/zinc/67/22/98/628672298.db2.gz LRWRAFDIDVHMQD-NSHDSACASA-N 1 0 314.223 3.013 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCCN(C(=O)C(C)C)CC2)cc1Cl ZINC000824602043 628675729 /nfs/dbraw/zinc/67/57/29/628675729.db2.gz QCIVFMHBYQLHKU-UHFFFAOYSA-N 1 0 324.852 3.044 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOC2(C)C)c(C(F)(F)F)c1 ZINC000824625291 628678140 /nfs/dbraw/zinc/67/81/40/628678140.db2.gz IQAKCNPXRORLHM-AWEZNQCLSA-N 1 0 316.367 3.429 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)NC(=O)OC(C)(C)C ZINC000824660515 628681478 /nfs/dbraw/zinc/68/14/78/628681478.db2.gz DGKNYGVUIYLZKQ-HNNXBMFYSA-N 1 0 322.449 3.402 20 10 DGCDRO CC/C=C/C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000824703242 628685835 /nfs/dbraw/zinc/68/58/35/628685835.db2.gz YNANWLXRJPYOAB-SNAWJCMRSA-N 1 0 300.196 3.219 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc1OC ZINC000824764766 628690767 /nfs/dbraw/zinc/69/07/67/628690767.db2.gz DFVJKLNPJVGBFA-CYBMUJFWSA-N 1 0 320.216 3.083 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000824798567 628694419 /nfs/dbraw/zinc/69/44/19/628694419.db2.gz DZHLTFUTPXYSQC-KBXCAEBGSA-N 1 0 307.434 3.332 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000824798569 628694530 /nfs/dbraw/zinc/69/45/30/628694530.db2.gz DZHLTFUTPXYSQC-KSSFIOAISA-N 1 0 307.434 3.332 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000824798371 628694748 /nfs/dbraw/zinc/69/47/48/628694748.db2.gz DBCAGJYTHCWSRT-KDOFPFPSSA-N 1 0 307.434 3.332 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1O ZINC000824845834 628699149 /nfs/dbraw/zinc/69/91/49/628699149.db2.gz NJVHYYTVHXADHQ-HZPDHXFCSA-N 1 0 309.837 3.241 20 10 DGCDRO Cn1cccc1C[N@H+](C)Cc1ccc(Br)cc1O ZINC000824851048 628699811 /nfs/dbraw/zinc/69/98/11/628699811.db2.gz RTQNFRBIYIGFKE-UHFFFAOYSA-N 1 0 309.207 3.125 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OCC)ccc1O ZINC000824861172 628701134 /nfs/dbraw/zinc/70/11/34/628701134.db2.gz ITPRCOZLPQPUIY-CVEARBPZSA-N 1 0 321.417 3.002 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1Cl ZINC000824913668 628705526 /nfs/dbraw/zinc/70/55/26/628705526.db2.gz WJNMTBBIVIGFEZ-CYBMUJFWSA-N 1 0 319.836 3.152 20 10 DGCDRO Fc1cc(C[NH2+]C23CCC(CC2)CC3)ccc1N1CCOCC1 ZINC000824935858 628708505 /nfs/dbraw/zinc/70/85/05/628708505.db2.gz MGZALJCBDPYQTF-UHFFFAOYSA-N 1 0 318.436 3.475 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1C ZINC000824952715 628710025 /nfs/dbraw/zinc/71/00/25/628710025.db2.gz DIUCBTCULKKKPM-HKUYNNGSSA-N 1 0 312.413 3.414 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC000825085716 628726291 /nfs/dbraw/zinc/72/62/91/628726291.db2.gz MKNSEOXWKNMSRM-VQIMIIECSA-N 1 0 311.429 3.158 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000825099076 628727660 /nfs/dbraw/zinc/72/76/60/628727660.db2.gz UCUMOKIFACBBJU-UHFFFAOYSA-N 1 0 305.418 3.326 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CO)c(F)c2)cc1Cl ZINC000825137465 628731226 /nfs/dbraw/zinc/73/12/26/628731226.db2.gz AOKSRPHQSYWVJG-UHFFFAOYSA-N 1 0 309.768 3.275 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)Cc2ccccc2)cc1Cl ZINC000825138456 628731833 /nfs/dbraw/zinc/73/18/33/628731833.db2.gz MKGDIIPELFIOED-HNNXBMFYSA-N 1 0 319.832 3.295 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(Cl)c(OC)c2)c(O)c1 ZINC000825143988 628732304 /nfs/dbraw/zinc/73/23/04/628732304.db2.gz IZGBGBVVUYNOTN-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000825167640 628734275 /nfs/dbraw/zinc/73/42/75/628734275.db2.gz OEKNSFYMDOZOLX-HKUYNNGSSA-N 1 0 300.446 3.334 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C2CCC2)c(C(F)(F)F)c1 ZINC000825240924 628741131 /nfs/dbraw/zinc/74/11/31/628741131.db2.gz RKIZFHBMZXBRGQ-HNNXBMFYSA-N 1 0 316.367 3.022 20 10 DGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000825265926 628744283 /nfs/dbraw/zinc/74/42/83/628744283.db2.gz GCBFIUPIPZCORJ-HZMBPMFUSA-N 1 0 316.239 3.041 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825283766 628746130 /nfs/dbraw/zinc/74/61/30/628746130.db2.gz SJAWWMZIIXBCQM-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)c2ccc(F)cc2)cc1Cl ZINC000825283367 628746180 /nfs/dbraw/zinc/74/61/80/628746180.db2.gz KNGSBFFVHJDAKC-OAHLLOKOSA-N 1 0 309.768 3.316 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1Cl ZINC000825391020 628757099 /nfs/dbraw/zinc/75/70/99/628757099.db2.gz OHBABEWNFVQTPC-MAZHCROVSA-N 1 0 307.821 3.401 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)CCc2ccccc2)cc1Cl ZINC000825500493 628769034 /nfs/dbraw/zinc/76/90/34/628769034.db2.gz DFTDYGSUETUBMQ-INIZCTEOSA-N 1 0 319.832 3.437 20 10 DGCDRO COc1cc(C[NH+]2CCC(C)(CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000825519321 628770785 /nfs/dbraw/zinc/77/07/85/628770785.db2.gz CLUIIIDXMAPROU-UHFFFAOYSA-N 1 0 321.461 3.293 20 10 DGCDRO Nc1nc(NCc2ccc(N3CCCC3)cc2)c2c([nH+]1)CCCC2 ZINC000825582538 628774873 /nfs/dbraw/zinc/77/48/73/628774873.db2.gz CDLOVFMMCUXTSD-UHFFFAOYSA-N 1 0 323.444 3.150 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]C1CC(CF)(CF)C1 ZINC000825892410 628808122 /nfs/dbraw/zinc/80/81/22/628808122.db2.gz DRDRHHDDGDAJBX-UHFFFAOYSA-N 1 0 320.177 3.332 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1Cl ZINC000825900797 628809193 /nfs/dbraw/zinc/80/91/93/628809193.db2.gz RNZLFCJNTSEYCQ-XJKSGUPXSA-N 1 0 308.853 3.413 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc1 ZINC000826019837 628820813 /nfs/dbraw/zinc/82/08/13/628820813.db2.gz LGHMETRFWGFVPY-CRAIPNDOSA-N 1 0 319.493 3.111 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CS[C@@H](C(C)C)C3)C2)cc1 ZINC000826845868 628894148 /nfs/dbraw/zinc/89/41/48/628894148.db2.gz MNWHOEJFRVBRFD-HDMKZQKVSA-N 1 0 320.502 3.394 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cccnc2N2CCCC2)c1O ZINC000826899270 628900853 /nfs/dbraw/zinc/90/08/53/628900853.db2.gz IAMHZSUSWRLVSH-UHFFFAOYSA-N 1 0 311.429 3.240 20 10 DGCDRO CN(CCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000827179044 628932562 /nfs/dbraw/zinc/93/25/62/628932562.db2.gz OZWIRGDGKGPIMI-IBGZPJMESA-N 1 0 310.441 3.141 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC(F)(F)C1 ZINC000827336768 628950896 /nfs/dbraw/zinc/95/08/96/628950896.db2.gz MHTKKSFDSMTQRG-MRXNPFEDSA-N 1 0 324.415 3.390 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000827377150 628954601 /nfs/dbraw/zinc/95/46/01/628954601.db2.gz QRDFGOCOOOXMFI-KDOFPFPSSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000827507091 628966496 /nfs/dbraw/zinc/96/64/96/628966496.db2.gz UIJBBGPRNZTWAF-NXEZZACHSA-N 1 0 312.207 3.005 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000827526139 628967813 /nfs/dbraw/zinc/96/78/13/628967813.db2.gz HKXBEHODUBRKQR-MOPGFXCFSA-N 1 0 315.413 3.249 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000827544516 628969029 /nfs/dbraw/zinc/96/90/29/628969029.db2.gz CZURLGSGTUYROR-MRXNPFEDSA-N 1 0 312.413 3.112 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000827555424 628970140 /nfs/dbraw/zinc/97/01/40/628970140.db2.gz TYURQYSSRKQCFX-GFCCVEGCSA-N 1 0 324.852 3.091 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000827596672 628975572 /nfs/dbraw/zinc/97/55/72/628975572.db2.gz ZHCQBRWTZRXCRJ-QZTJIDSGSA-N 1 0 300.446 3.145 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC(c3ccon3)CC2)c(O)c1 ZINC000827629273 628978030 /nfs/dbraw/zinc/97/80/30/628978030.db2.gz GZIZNUHMYVIVNL-UHFFFAOYSA-N 1 0 302.374 3.159 20 10 DGCDRO CSC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000827663167 628981404 /nfs/dbraw/zinc/98/14/04/628981404.db2.gz ZPURNZRIIODDOQ-UHFFFAOYSA-N 1 0 320.502 3.023 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000827750162 628988080 /nfs/dbraw/zinc/98/80/80/628988080.db2.gz AILGYSJMHCWSNC-GOEBONIOSA-N 1 0 311.809 3.257 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000827751932 628988686 /nfs/dbraw/zinc/98/86/86/628988686.db2.gz YYJWFRDNGAHHSQ-SJLPKXTDSA-N 1 0 305.418 3.221 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)c1O ZINC000827856802 628997649 /nfs/dbraw/zinc/99/76/49/628997649.db2.gz SAIALNOWIMLRSX-MEDUHNTESA-N 1 0 321.804 3.266 20 10 DGCDRO CCOc1cccc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c1O ZINC000827962999 629008940 /nfs/dbraw/zinc/00/89/40/629008940.db2.gz XRAKHRXBNBADEU-ZBEGNZNMSA-N 1 0 315.360 3.035 20 10 DGCDRO C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000827964757 629009365 /nfs/dbraw/zinc/00/93/65/629009365.db2.gz UEAMMYHWKJQDKY-DOTOQJQBSA-N 1 0 324.424 3.092 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)[C@H](F)C3)cc2)CC1 ZINC000828736600 629087010 /nfs/dbraw/zinc/08/70/10/629087010.db2.gz HHYFYXWCVWNEAY-HNAYVOBHSA-N 1 0 320.452 3.482 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)ccc1N1CCCCC1 ZINC000828987792 629117481 /nfs/dbraw/zinc/11/74/81/629117481.db2.gz LQKNTTXBBHQPHG-APWZRJJASA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2CCO)ccc1N1CCCCC1 ZINC000828988001 629117528 /nfs/dbraw/zinc/11/75/28/629117528.db2.gz PHDNGYPNCQYZEE-GOSISDBHSA-N 1 0 302.462 3.332 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)ccc1N1CCCCC1 ZINC000829244339 629144283 /nfs/dbraw/zinc/14/42/83/629144283.db2.gz WMUBNPZUFKRKBX-FUHWJXTLSA-N 1 0 302.462 3.500 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000831165801 629345359 /nfs/dbraw/zinc/34/53/59/629345359.db2.gz NCFKTAATLTVXCS-GUDVDZBRSA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1N(C)C ZINC000831166523 629345667 /nfs/dbraw/zinc/34/56/67/629345667.db2.gz UACDZQPAMOKVNI-QXAKKESOSA-N 1 0 302.462 3.186 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)ccc1N1CCCCC1 ZINC000831181792 629346777 /nfs/dbraw/zinc/34/67/77/629346777.db2.gz XMMNYNRXITVVKZ-GOSISDBHSA-N 1 0 324.415 3.187 20 10 DGCDRO Cc1cc(C(=O)NCC2([NH3+])CCC2)c(C)n1-c1cccc(C)c1 ZINC000831550325 629390328 /nfs/dbraw/zinc/39/03/28/629390328.db2.gz VOQWQHSSKARDOI-UHFFFAOYSA-N 1 0 311.429 3.014 20 10 DGCDRO CCCCCC(C)(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267282 629457720 /nfs/dbraw/zinc/45/77/20/629457720.db2.gz PKGYKHKOPLCLGI-QGZVFWFLSA-N 1 0 319.493 3.475 20 10 DGCDRO C[C@@H](CC1CCCC1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274832 629458469 /nfs/dbraw/zinc/45/84/69/629458469.db2.gz ZOZGNRBBRNMRFH-KBXCAEBGSA-N 1 0 317.477 3.085 20 10 DGCDRO CC(C)c1noc(CCC[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000834558203 629728684 /nfs/dbraw/zinc/72/86/84/629728684.db2.gz BUISUPKOCOQAKA-CYBMUJFWSA-N 1 0 301.390 3.108 20 10 DGCDRO CN(CC[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccc(F)cc1 ZINC000834616256 629740418 /nfs/dbraw/zinc/74/04/18/629740418.db2.gz MSTSHDFQAWAIEQ-QGZVFWFLSA-N 1 0 314.404 3.240 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOc1ccc(F)cc1F)CC2 ZINC000834617405 629740719 /nfs/dbraw/zinc/74/07/19/629740719.db2.gz YDDZCKFANXALHR-AWEZNQCLSA-N 1 0 305.324 3.326 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccnc1OCC(F)F)CC2 ZINC000834696925 629760336 /nfs/dbraw/zinc/76/03/36/629760336.db2.gz BRZXFHBNOZHPKG-ZDUSSCGKSA-N 1 0 320.339 3.208 20 10 DGCDRO CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834698335 629760428 /nfs/dbraw/zinc/76/04/28/629760428.db2.gz YBMTYPXPZVTAGM-CQSZACIVSA-N 1 0 305.418 3.481 20 10 DGCDRO Cn1nc(CC[NH2+][C@@H]2CCc3cccc(O)c32)c2ccccc21 ZINC000834770025 629776744 /nfs/dbraw/zinc/77/67/44/629776744.db2.gz RTRIAZUJUFOJQU-MRXNPFEDSA-N 1 0 307.397 3.099 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cc(Cl)ccc1O ZINC000834828552 629784902 /nfs/dbraw/zinc/78/49/02/629784902.db2.gz VNSBKQATIJQIPM-XHDPSFHLSA-N 1 0 323.795 3.439 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cc(Br)ccc1O ZINC000834831383 629786033 /nfs/dbraw/zinc/78/60/33/629786033.db2.gz JJIHYLOAUDEJNQ-BXKDBHETSA-N 1 0 322.206 3.147 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834845000 629789013 /nfs/dbraw/zinc/78/90/13/629789013.db2.gz XLBRABQVVSWGOR-NWDGAFQWSA-N 1 0 303.324 3.327 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000834860944 629792982 /nfs/dbraw/zinc/79/29/82/629792982.db2.gz VYYFDTKWRUIDME-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)[C@@H](O)C(F)F ZINC000834875865 629795194 /nfs/dbraw/zinc/79/51/94/629795194.db2.gz UWSUOBDCVLTWSP-YDEJPDAXSA-N 1 0 307.768 3.409 20 10 DGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000834886803 629797767 /nfs/dbraw/zinc/79/77/67/629797767.db2.gz NEEZYJLBGKYDDU-MRCXROJRSA-N 1 0 314.223 3.373 20 10 DGCDRO Cc1cnc(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000834908690 629805914 /nfs/dbraw/zinc/80/59/14/629805914.db2.gz LGYCYWDQSMMROV-IINYFYTJSA-N 1 0 301.365 3.010 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc2ccccc2c1O ZINC000834913673 629807728 /nfs/dbraw/zinc/80/77/28/629807728.db2.gz IRIMGHWCWWWQDH-DHSIGJKJSA-N 1 0 324.424 3.349 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000835025794 629827921 /nfs/dbraw/zinc/82/79/21/629827921.db2.gz NLBJTLJLIAYNDO-AATRIKPKSA-N 1 0 313.489 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000835025563 629828389 /nfs/dbraw/zinc/82/83/89/629828389.db2.gz KTTTZRKMPDWNSQ-BPJPHKDRSA-N 1 0 313.489 3.326 20 10 DGCDRO CC[N@H+](C)C[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027153 629829105 /nfs/dbraw/zinc/82/91/05/629829105.db2.gz BOPKRLAASPNWRN-DKFQHHCZSA-N 1 0 301.478 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000835028782 629829143 /nfs/dbraw/zinc/82/91/43/629829143.db2.gz SHFPVUGEKRYWMS-MEDHRJKHSA-N 1 0 310.445 3.299 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000835027275 629829213 /nfs/dbraw/zinc/82/92/13/629829213.db2.gz JSHNKVUUHKXCIM-PXDRNWIDSA-N 1 0 313.489 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000835027916 629829372 /nfs/dbraw/zinc/82/93/72/629829372.db2.gz OIUXEHFGWKKCJG-BPJPHKDRSA-N 1 0 313.489 3.326 20 10 DGCDRO Cc1csc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835035821 629830277 /nfs/dbraw/zinc/83/02/77/629830277.db2.gz KWVNABHDYIJSSS-SNAWJCMRSA-N 1 0 301.459 3.363 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)c2cccc(F)c2)cc1 ZINC000835034360 629830462 /nfs/dbraw/zinc/83/04/62/629830462.db2.gz AHUATHUPHXMSNK-VZSQWMKGSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCC(=O)Nc2ccccc2)cc1 ZINC000835040514 629831799 /nfs/dbraw/zinc/83/17/99/629831799.db2.gz QJURABQSWGAFMW-SREVYHEPSA-N 1 0 323.440 3.384 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@](C)(O)c2cccs2)cc1 ZINC000835039475 629832080 /nfs/dbraw/zinc/83/20/80/629832080.db2.gz FHYWNRKMQUNMKX-JXTAAOLFSA-N 1 0 316.470 3.325 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000835040095 629832432 /nfs/dbraw/zinc/83/24/32/629832432.db2.gz OAVBVNXYSSCFAL-UWBQZYMWSA-N 1 0 300.446 3.169 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000835042314 629832588 /nfs/dbraw/zinc/83/25/88/629832588.db2.gz SNXMADHFDIIQPX-QEVIJRNUSA-N 1 0 322.452 3.189 20 10 DGCDRO Cc1ccccc1[C@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042090 629832645 /nfs/dbraw/zinc/83/26/45/629832645.db2.gz GPWCQXMRAYUWFH-LZVBJTEYSA-N 1 0 310.441 3.397 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCN(c3ccccn3)C2)cc1 ZINC000835042830 629833212 /nfs/dbraw/zinc/83/32/12/629833212.db2.gz YGHWEXKNMSDNET-QWNKOJSDSA-N 1 0 322.456 3.029 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000835047305 629835284 /nfs/dbraw/zinc/83/52/84/629835284.db2.gz FWWDAOOWLSDBNR-NYQZOWANSA-N 1 0 300.446 3.313 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH+]2CC(C3CCOCC3)C2)cc1 ZINC000835049065 629835543 /nfs/dbraw/zinc/83/55/43/629835543.db2.gz FCNVJOBEEYSLMX-ONEGZZNKSA-N 1 0 300.446 3.124 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835050543 629836400 /nfs/dbraw/zinc/83/64/00/629836400.db2.gz CWUWEGMMRUXHSP-WBXGCANISA-N 1 0 316.445 3.087 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cnc3n2CCCC3)cc1 ZINC000835050559 629836538 /nfs/dbraw/zinc/83/65/38/629836538.db2.gz UROSKQUPMPKQDJ-AATRIKPKSA-N 1 0 310.445 3.088 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC000835049376 629836586 /nfs/dbraw/zinc/83/65/86/629836586.db2.gz DIZPTYWAVZOOHS-FKIZTMCRSA-N 1 0 324.468 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC000835053481 629837414 /nfs/dbraw/zinc/83/74/14/629837414.db2.gz CXDZFXDHGUZFCD-JGAFRWBPSA-N 1 0 314.473 3.153 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000835055623 629839470 /nfs/dbraw/zinc/83/94/70/629839470.db2.gz LVVDZWJBCMFFPT-RDBXKPKDSA-N 1 0 313.489 3.184 20 10 DGCDRO C[N@H+](CCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000835063390 629841254 /nfs/dbraw/zinc/84/12/54/629841254.db2.gz KUFUJPWDBXUBIU-UHFFFAOYSA-N 1 0 300.805 3.149 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@H]1C ZINC000840714887 630351439 /nfs/dbraw/zinc/35/14/39/630351439.db2.gz NHBXMZJTJHEHEO-KMFMINBZSA-N 1 0 306.425 3.187 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]1C ZINC000840719969 630351787 /nfs/dbraw/zinc/35/17/87/630351787.db2.gz XKSWIXQWADARLA-CLCXKQKWSA-N 1 0 302.462 3.029 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000840892567 630373725 /nfs/dbraw/zinc/37/37/25/630373725.db2.gz BANNPEGDYXNGQR-XYJFISCASA-N 1 0 303.494 3.064 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)Cc2ccccc2)c(Cl)c1 ZINC000840891640 630373874 /nfs/dbraw/zinc/37/38/74/630373874.db2.gz JMVZDWGFTZZBND-AWEZNQCLSA-N 1 0 305.805 3.047 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CCO)c1cccs1 ZINC000840934120 630379932 /nfs/dbraw/zinc/37/99/32/630379932.db2.gz MJIAMMLWKVAYRH-INIZCTEOSA-N 1 0 304.459 3.336 20 10 DGCDRO CC(=O)NC1CCC([N@H+](C)Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840939789 630381256 /nfs/dbraw/zinc/38/12/56/630381256.db2.gz QYMCDSMVDMJHTC-UHFFFAOYSA-N 1 0 324.852 3.233 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000840939525 630381349 /nfs/dbraw/zinc/38/13/49/630381349.db2.gz YYTYEDBSYMBMQJ-CQSZACIVSA-N 1 0 321.465 3.064 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)cc2C)CCCC1 ZINC000840940687 630381506 /nfs/dbraw/zinc/38/15/06/630381506.db2.gz BAXVVEGPTQWPDT-UHFFFAOYSA-N 1 0 304.434 3.027 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000840946429 630381759 /nfs/dbraw/zinc/38/17/59/630381759.db2.gz JYFFPOVEGQOAJZ-LEWJYISDSA-N 1 0 324.468 3.317 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000840946431 630381992 /nfs/dbraw/zinc/38/19/92/630381992.db2.gz JYFFPOVEGQOAJZ-RTWAWAEBSA-N 1 0 324.468 3.317 20 10 DGCDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(N(C)C)cc1C)C2 ZINC000840947075 630382708 /nfs/dbraw/zinc/38/27/08/630382708.db2.gz KWWUUGSBQGVONA-UHFFFAOYSA-N 1 0 302.462 3.452 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000840948684 630382737 /nfs/dbraw/zinc/38/27/37/630382737.db2.gz XWFMUCCXFUUPIK-VQIMIIECSA-N 1 0 301.478 3.120 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(Cl)c1 ZINC000840949356 630383520 /nfs/dbraw/zinc/38/35/20/630383520.db2.gz STXHBRCPMWUZLO-KRWDZBQOSA-N 1 0 308.853 3.272 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000840950415 630383574 /nfs/dbraw/zinc/38/35/74/630383574.db2.gz IBGSEJSNTPSKLN-IPMKNSEASA-N 1 0 302.462 3.186 20 10 DGCDRO Cn1ncc2c1CCC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000840954098 630384513 /nfs/dbraw/zinc/38/45/13/630384513.db2.gz DEVOFCPQPCMNAR-UHFFFAOYSA-N 1 0 307.397 3.227 20 10 DGCDRO CC[N@H+](Cc1occc1C)Cc1ccc(N2CCOCC2)cc1 ZINC000840969308 630388194 /nfs/dbraw/zinc/38/81/94/630388194.db2.gz BPSQVHJDMQCOLG-UHFFFAOYSA-N 1 0 314.429 3.447 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](CC)[C@H](O)C(C)C)ccc1OC ZINC000840966493 630388260 /nfs/dbraw/zinc/38/82/60/630388260.db2.gz GNSVIJDSUHPCMM-SJLPKXTDSA-N 1 0 309.450 3.117 20 10 DGCDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000840970198 630388649 /nfs/dbraw/zinc/38/86/49/630388649.db2.gz RDBBYBONZIRLIM-CQSZACIVSA-N 1 0 306.425 3.283 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1F ZINC000840977466 630390239 /nfs/dbraw/zinc/39/02/39/630390239.db2.gz IEFPOZPWLDLNRH-JKSUJKDBSA-N 1 0 308.441 3.313 20 10 DGCDRO [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841029994 630398099 /nfs/dbraw/zinc/39/80/99/630398099.db2.gz IVPQEKSIJPAWAN-TVQRCGJNSA-N 1 0 303.233 3.306 20 10 DGCDRO C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000841028606 630398353 /nfs/dbraw/zinc/39/83/53/630398353.db2.gz FKQHMDPNWPMDEE-SNVBAGLBSA-N 1 0 308.784 3.494 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](N)c2ccc(C(C)C)cc2)c1 ZINC000841038565 630399894 /nfs/dbraw/zinc/39/98/94/630399894.db2.gz YOWUJYRMVQTYRY-GOSISDBHSA-N 1 0 314.429 3.314 20 10 DGCDRO CCc1cccc(F)c1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841042044 630400349 /nfs/dbraw/zinc/40/03/49/630400349.db2.gz JNOMCABHWXCSBL-LJQANCHMSA-N 1 0 315.436 3.244 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccsc2Cl)cc1 ZINC000841042183 630400698 /nfs/dbraw/zinc/40/06/98/630400698.db2.gz LKZPPSVSQVOVNO-CQSZACIVSA-N 1 0 309.866 3.257 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000841044427 630401450 /nfs/dbraw/zinc/40/14/50/630401450.db2.gz WPMKKFQICLDUQG-YSIASYRMSA-N 1 0 309.457 3.146 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(F)c(Cl)c2)cc1 ZINC000841045586 630401934 /nfs/dbraw/zinc/40/19/34/630401934.db2.gz NJCWJURJJQBZGG-KRWDZBQOSA-N 1 0 321.827 3.335 20 10 DGCDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045778 630401991 /nfs/dbraw/zinc/40/19/91/630401991.db2.gz PTTBVVGXQIRPRI-LIRRHRJNSA-N 1 0 315.436 3.112 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841087479 630406049 /nfs/dbraw/zinc/40/60/49/630406049.db2.gz OGGTZBSZPCRDKU-IAQYHMDHSA-N 1 0 312.816 3.149 20 10 DGCDRO CN(C)c1ccc(CN[C@H](C[NH3+])C(C)(C)C)c(C(F)(F)F)c1 ZINC000841087159 630406135 /nfs/dbraw/zinc/40/61/35/630406135.db2.gz JQJUSKYJSLRCET-CQSZACIVSA-N 1 0 317.399 3.234 20 10 DGCDRO Cc1cc(O)c(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1C ZINC000841103020 630408716 /nfs/dbraw/zinc/40/87/16/630408716.db2.gz DAILMGHTEQEUMW-FUHWJXTLSA-N 1 0 314.404 3.075 20 10 DGCDRO Nc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000841297218 630424538 /nfs/dbraw/zinc/42/45/38/630424538.db2.gz NMLJABDFXANWSI-QGZVFWFLSA-N 1 0 316.449 3.187 20 10 DGCDRO Nc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000841302370 630425632 /nfs/dbraw/zinc/42/56/32/630425632.db2.gz VCPGVNPDZZSJPS-GOSISDBHSA-N 1 0 324.428 3.227 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841744508 630461051 /nfs/dbraw/zinc/46/10/51/630461051.db2.gz OWYOKULIBXVCEK-PIGZYNQJSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(Cl)cc1O ZINC000841745196 630461127 /nfs/dbraw/zinc/46/11/27/630461127.db2.gz NNGURPWSNLKMLD-LLVKDONJSA-N 1 0 305.809 3.357 20 10 DGCDRO CCOc1cccc(C[N@H+](C)CCOc2ccccc2F)c1O ZINC000121519274 630462296 /nfs/dbraw/zinc/46/22/96/630462296.db2.gz MXMZPTYQYUNTDE-UHFFFAOYSA-N 1 0 319.376 3.441 20 10 DGCDRO C[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(Cl)cc1O ZINC000841751127 630462511 /nfs/dbraw/zinc/46/25/11/630462511.db2.gz KZGZWINVERSIKQ-SNVBAGLBSA-N 1 0 310.756 3.309 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841751540 630462576 /nfs/dbraw/zinc/46/25/76/630462576.db2.gz HVQFRIAKDYVIPD-IUODEOHRSA-N 1 0 305.805 3.300 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(Cl)cc1O ZINC000841763101 630463225 /nfs/dbraw/zinc/46/32/25/630463225.db2.gz URXBLBIFPOZPKF-ONGXEEELSA-N 1 0 304.768 3.036 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841765017 630463284 /nfs/dbraw/zinc/46/32/84/630463284.db2.gz TUMPNTDOZSOLEH-DIFFPNOSSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)CC2CCCCC2)c1 ZINC000841763581 630463332 /nfs/dbraw/zinc/46/33/32/630463332.db2.gz ZYZZGEAORDVXSN-ZFWWWQNUSA-N 1 0 307.434 3.383 20 10 DGCDRO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000841763916 630463337 /nfs/dbraw/zinc/46/33/37/630463337.db2.gz SNGDKULWWYHEDL-MRXNPFEDSA-N 1 0 301.478 3.422 20 10 DGCDRO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n(C)n1 ZINC000841830113 630470163 /nfs/dbraw/zinc/47/01/63/630470163.db2.gz FGKZVYCBUAGNSE-UHFFFAOYSA-N 1 0 300.450 3.205 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](CC(C)C)OC)c1O ZINC000841887958 630473157 /nfs/dbraw/zinc/47/31/57/630473157.db2.gz AYVYQAVHGRORIU-CYBMUJFWSA-N 1 0 301.814 3.205 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)CCC2 ZINC000842612833 630553542 /nfs/dbraw/zinc/55/35/42/630553542.db2.gz OVULVKMNZXYWKX-SJLPKXTDSA-N 1 0 301.430 3.272 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(O)cc1C ZINC000842613588 630553747 /nfs/dbraw/zinc/55/37/47/630553747.db2.gz CXLUGZLLEHOIGS-GOEBONIOSA-N 1 0 305.418 3.100 20 10 DGCDRO FC1CCC(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000842775123 630574805 /nfs/dbraw/zinc/57/48/05/630574805.db2.gz NFZHNCURNOFNCO-UHFFFAOYSA-N 1 0 306.425 3.141 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000842783567 630576078 /nfs/dbraw/zinc/57/60/78/630576078.db2.gz FTVYOOVKLDXIMN-QWHCGFSZSA-N 1 0 321.417 3.001 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O ZINC000842885376 630589383 /nfs/dbraw/zinc/58/93/83/630589383.db2.gz ONBGYXGQQOQXRO-ZIAGYGMSSA-N 1 0 324.852 3.486 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842887584 630589663 /nfs/dbraw/zinc/58/96/63/630589663.db2.gz ZNZPSZVUQUXOHE-FZMZJTMJSA-N 1 0 324.852 3.404 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)c2c1c(F)ccc2O ZINC000842885794 630589803 /nfs/dbraw/zinc/58/98/03/630589803.db2.gz PIFZSSQSHLQTEG-KGYLQXTDSA-N 1 0 320.408 3.069 20 10 DGCDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000842908468 630592772 /nfs/dbraw/zinc/59/27/72/630592772.db2.gz NDDUKHJIOKNXHU-KFKAGJAMSA-N 1 0 318.461 3.131 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NCc1cccs1 ZINC000842907924 630592781 /nfs/dbraw/zinc/59/27/81/630592781.db2.gz IJPOVEKZYUSWRF-DOMZBBRYSA-N 1 0 318.442 3.199 20 10 DGCDRO OCC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000842925206 630593992 /nfs/dbraw/zinc/59/39/92/630593992.db2.gz WVBMTDICQTXUNZ-HZPDHXFCSA-N 1 0 301.361 3.232 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843044713 630607490 /nfs/dbraw/zinc/60/74/90/630607490.db2.gz GDAGPYUWYFPJNK-OAHLLOKOSA-N 1 0 312.816 3.149 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000843048120 630608444 /nfs/dbraw/zinc/60/84/44/630608444.db2.gz OAFVERRODSYCKB-KJYWSYJISA-N 1 0 313.489 3.372 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000843117852 630616027 /nfs/dbraw/zinc/61/60/27/630616027.db2.gz UYEPNBRYMBLWKI-FQEVSTJZSA-N 1 0 324.472 3.074 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CCO)c1ccccc1F ZINC000843430489 630657445 /nfs/dbraw/zinc/65/74/45/630657445.db2.gz XQSSTAWBYOUMJH-IBGZPJMESA-N 1 0 316.420 3.413 20 10 DGCDRO C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000843431704 630658065 /nfs/dbraw/zinc/65/80/65/630658065.db2.gz BUBJQFCCUMSJIB-MQDFFIGUSA-N 1 0 300.446 3.409 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1(CO)CC=CC1 ZINC000843432405 630658282 /nfs/dbraw/zinc/65/82/82/630658282.db2.gz DCNFDTHMZLXYLK-SFHVURJKSA-N 1 0 301.430 3.064 20 10 DGCDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000844724978 630807841 /nfs/dbraw/zinc/80/78/41/630807841.db2.gz GFUOBCNYTUXLTL-CABCVRRESA-N 1 0 300.402 3.330 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc(F)cc1[O-] ZINC000844924648 630986248 /nfs/dbraw/zinc/98/62/48/630986248.db2.gz PGNVKRNHZNLCLR-QGZVFWFLSA-N 1 0 302.393 3.492 20 10 DGCDRO CCOC(=O)CC(C)(C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845972518 631204329 /nfs/dbraw/zinc/20/43/29/631204329.db2.gz RDQLATSCUWKYAI-LBPRGKRZSA-N 1 0 309.406 3.031 20 10 DGCDRO COc1ccc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)nc1 ZINC000845997499 631204988 /nfs/dbraw/zinc/20/49/88/631204988.db2.gz BUANKLJGLUYNHX-UHFFFAOYSA-N 1 0 316.376 3.315 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c(O)c1 ZINC000846016914 631206212 /nfs/dbraw/zinc/20/62/12/631206212.db2.gz KLAPLTPHOSVILZ-SGTLLEGYSA-N 1 0 319.376 3.142 20 10 DGCDRO CCc1ncc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)s1 ZINC000846052410 631208431 /nfs/dbraw/zinc/20/84/31/631208431.db2.gz QFDBLBISMZRXMI-UHFFFAOYSA-N 1 0 319.474 3.282 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000846056259 631208742 /nfs/dbraw/zinc/20/87/42/631208742.db2.gz RYXGEGOCWHWGCM-JQWIXIFHSA-N 1 0 309.715 3.245 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCCC2)c1O ZINC000846138628 631211445 /nfs/dbraw/zinc/21/14/45/631211445.db2.gz LSQXLWMMBXQIPX-ZBFHGGJFSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@H]2C)c1O ZINC000846139865 631211514 /nfs/dbraw/zinc/21/15/14/631211514.db2.gz VYEYPRYOEJJXGZ-ILXRZTDVSA-N 1 0 306.450 3.314 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCN(C)C2CCCCC2)c1O ZINC000846142122 631211576 /nfs/dbraw/zinc/21/15/76/631211576.db2.gz BZNWETJOQCDBIF-CQSZACIVSA-N 1 0 306.450 3.316 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@H](C)C2)c1O ZINC000846140510 631211695 /nfs/dbraw/zinc/21/16/95/631211695.db2.gz VPNVWKGMWRVJFT-ZNMIVQPWSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)c1O ZINC000846144363 631211732 /nfs/dbraw/zinc/21/17/32/631211732.db2.gz LWSGMHZQSHVURP-QWHCGFSZSA-N 1 0 301.386 3.305 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000846144977 631211800 /nfs/dbraw/zinc/21/18/00/631211800.db2.gz IXXUFSUTMNONSQ-AADNMHCOSA-N 1 0 305.418 3.255 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCc3nc(C)ncc32)c1O ZINC000846146921 631212113 /nfs/dbraw/zinc/21/21/13/631212113.db2.gz SWYNDLIWUMWJJY-ABAIWWIYSA-N 1 0 313.401 3.227 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccc(C)o1 ZINC000846145584 631212121 /nfs/dbraw/zinc/21/21/21/631212121.db2.gz LSIDBYYFJDMXRN-OCCSQVGLSA-N 1 0 305.374 3.341 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000846155104 631212464 /nfs/dbraw/zinc/21/24/64/631212464.db2.gz DQOZCCGRYYLTMZ-GDZNZVCISA-N 1 0 323.458 3.106 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c1O ZINC000846154036 631212531 /nfs/dbraw/zinc/21/25/31/631212531.db2.gz JDCNTVLBKJIEFM-HZMBPMFUSA-N 1 0 323.339 3.063 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1O ZINC000846165001 631213076 /nfs/dbraw/zinc/21/30/76/631213076.db2.gz KASKISLKKWKYAA-DZGCQCFKSA-N 1 0 317.433 3.225 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1O ZINC000846165677 631213096 /nfs/dbraw/zinc/21/30/96/631213096.db2.gz XHSCWUZGTRKEKH-CYBMUJFWSA-N 1 0 315.413 3.479 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1O ZINC000846167397 631213187 /nfs/dbraw/zinc/21/31/87/631213187.db2.gz JHYVZIBLZRDYIX-LBPRGKRZSA-N 1 0 311.385 3.170 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1O ZINC000846168328 631213249 /nfs/dbraw/zinc/21/32/49/631213249.db2.gz SEPISCSRWPZLDZ-PBHICJAKSA-N 1 0 315.413 3.402 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c1O ZINC000846167169 631213345 /nfs/dbraw/zinc/21/33/45/631213345.db2.gz HIXPRPOXMICEEY-GOEBONIOSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](CCO)c2ccccc2F)c1O ZINC000846175144 631213451 /nfs/dbraw/zinc/21/34/51/631213451.db2.gz XFEQSVWBKVQCOD-BLLLJJGKSA-N 1 0 319.376 3.314 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846170963 631213556 /nfs/dbraw/zinc/21/35/56/631213556.db2.gz NPIKYIJHPVXYCA-GUYCJALGSA-N 1 0 315.413 3.347 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)c1 ZINC000846181539 631213744 /nfs/dbraw/zinc/21/37/44/631213744.db2.gz ZSVJUXTVLXNTHA-YWZLYKJASA-N 1 0 311.425 3.228 20 10 DGCDRO C[C@H](O)[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000846181560 631213870 /nfs/dbraw/zinc/21/38/70/631213870.db2.gz CFEARDPGCRTEHO-POHZPAGDSA-N 1 0 301.361 3.230 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846207097 631214982 /nfs/dbraw/zinc/21/49/82/631214982.db2.gz YIZXMKBKLVWJGQ-VXGBXAGGSA-N 1 0 322.836 3.016 20 10 DGCDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc2ccccc2c1O ZINC000846211916 631215088 /nfs/dbraw/zinc/21/50/88/631215088.db2.gz ISAONSJKMQOKHG-IFXJQAMLSA-N 1 0 315.413 3.128 20 10 DGCDRO CC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Cl)ccc1O ZINC000846214835 631215114 /nfs/dbraw/zinc/21/51/14/631215114.db2.gz WYNYDTRWWGVPDX-ZBFHGGJFSA-N 1 0 313.825 3.018 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc2ccccc2c1O ZINC000846211918 631215255 /nfs/dbraw/zinc/21/52/55/631215255.db2.gz ISAONSJKMQOKHG-KUHUBIRLSA-N 1 0 315.413 3.128 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)c(O)c1 ZINC000848559201 631693157 /nfs/dbraw/zinc/69/31/57/631693157.db2.gz QLOVLAPNQUDHAC-SUMWQHHRSA-N 1 0 310.397 3.305 20 10 DGCDRO COCC1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000848560267 631693171 /nfs/dbraw/zinc/69/31/71/631693171.db2.gz BYPQAENHEFIAJW-JTQLQIEISA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000848562369 631694121 /nfs/dbraw/zinc/69/41/21/631694121.db2.gz IOEMZUOUMAHQKQ-ZIAGYGMSSA-N 1 0 306.450 3.381 20 10 DGCDRO C[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000848564738 631694574 /nfs/dbraw/zinc/69/45/74/631694574.db2.gz HSDHUHHGJJOLCI-LZNQSLFOSA-N 1 0 318.461 3.333 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1O ZINC000848568261 631697109 /nfs/dbraw/zinc/69/71/09/631697109.db2.gz CFTVSVIUGPYGNU-NUEKZKHPSA-N 1 0 304.434 3.068 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Cl)ccc1O ZINC000848570170 631697880 /nfs/dbraw/zinc/69/78/80/631697880.db2.gz KEMYMZLLECJMNL-OCCSQVGLSA-N 1 0 324.808 3.070 20 10 DGCDRO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000848571478 631697982 /nfs/dbraw/zinc/69/79/82/631697982.db2.gz BZVCPMRFOLUYHN-AWEZNQCLSA-N 1 0 313.397 3.267 20 10 DGCDRO CCc1cccc(C[N@H+](C)CC(=O)N(C)C2CCCCC2)c1O ZINC000848881544 631769580 /nfs/dbraw/zinc/76/95/80/631769580.db2.gz QCFQMVHDHSUSOV-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCc1cccc(C[N@H+](C)Cc2ccc(C(=O)OC)cc2)c1O ZINC000848882682 631769762 /nfs/dbraw/zinc/76/97/62/631769762.db2.gz YBBJBSIXAPZPAE-UHFFFAOYSA-N 1 0 313.397 3.373 20 10 DGCDRO CCc1cccc(CN2CCC[N@@H+](C3CCCC3)CC2)c1O ZINC000848886673 631772172 /nfs/dbraw/zinc/77/21/72/631772172.db2.gz YZZDLENDTCYXAR-UHFFFAOYSA-N 1 0 302.462 3.405 20 10 DGCDRO CCc1cccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1O ZINC000848891266 631774011 /nfs/dbraw/zinc/77/40/11/631774011.db2.gz YBHWSLZXTXGNED-QFIPXVFZSA-N 1 0 317.454 3.324 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(OC(C)C)nc2)c1O ZINC000848893240 631775538 /nfs/dbraw/zinc/77/55/38/631775538.db2.gz ADTPYNCRSLDVFJ-UHFFFAOYSA-N 1 0 300.402 3.427 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1O ZINC000848893190 631775769 /nfs/dbraw/zinc/77/57/69/631775769.db2.gz RXRCHBCFVRYLGI-ZDUSSCGKSA-N 1 0 314.433 3.123 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000848895099 631776417 /nfs/dbraw/zinc/77/64/17/631776417.db2.gz QQXYBHPHSRJRLA-INIZCTEOSA-N 1 0 301.434 3.356 20 10 DGCDRO CCc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1O ZINC000848896084 631776618 /nfs/dbraw/zinc/77/66/18/631776618.db2.gz ZVDNNCSUUJVVRZ-UHFFFAOYSA-N 1 0 316.367 3.071 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2ccc(O)c(OC)c2)c1O ZINC000848896809 631777337 /nfs/dbraw/zinc/77/73/37/631777337.db2.gz JFAJMSXPPCBDON-UHFFFAOYSA-N 1 0 301.386 3.001 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)c1O ZINC000848897044 631777495 /nfs/dbraw/zinc/77/74/95/631777495.db2.gz MHDMBNVIAYWJEE-OAHLLOKOSA-N 1 0 307.340 3.056 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c1O ZINC000848898979 631778573 /nfs/dbraw/zinc/77/85/73/631778573.db2.gz BMEOGAMQCPHCFG-MOPGFXCFSA-N 1 0 310.441 3.490 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1O ZINC000848900913 631780110 /nfs/dbraw/zinc/78/01/10/631780110.db2.gz QUDAEGAXVHTCJF-IBGZPJMESA-N 1 0 315.388 3.187 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)c1O ZINC000848905290 631780385 /nfs/dbraw/zinc/78/03/85/631780385.db2.gz GGHJGJPEXCQRGX-NEPJUHHUSA-N 1 0 302.422 3.437 20 10 DGCDRO CCc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1O ZINC000848908908 631782760 /nfs/dbraw/zinc/78/27/60/631782760.db2.gz FTSAOJDLTGHTTK-UHFFFAOYSA-N 1 0 317.458 3.170 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1O ZINC000848912498 631784323 /nfs/dbraw/zinc/78/43/23/631784323.db2.gz GNFKHALGPFOGJQ-MRXNPFEDSA-N 1 0 314.404 3.462 20 10 DGCDRO CCc1cccc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1O ZINC000848915025 631785328 /nfs/dbraw/zinc/78/53/28/631785328.db2.gz WRVPGURSLSRHNI-UHFFFAOYSA-N 1 0 303.446 3.472 20 10 DGCDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849079462 631828467 /nfs/dbraw/zinc/82/84/67/631828467.db2.gz POBYEAFOTOGEQO-UHFFFAOYSA-N 1 0 318.371 3.476 20 10 DGCDRO Oc1ccc(Cl)cc1CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000849351681 631902064 /nfs/dbraw/zinc/90/20/64/631902064.db2.gz BAVQWGSFMXQKSQ-QGZVFWFLSA-N 1 0 318.804 3.319 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850023057 632031174 /nfs/dbraw/zinc/03/11/74/632031174.db2.gz YOHQRBCERMQZIY-OAHLLOKOSA-N 1 0 319.401 3.115 20 10 DGCDRO COc1cc(C[NH2+]Cc2cc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000850120124 632060326 /nfs/dbraw/zinc/06/03/26/632060326.db2.gz WRBUBCRLWTZVJL-UHFFFAOYSA-N 1 0 304.390 3.285 20 10 DGCDRO CCn1cc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)cn1 ZINC000850143861 632065115 /nfs/dbraw/zinc/06/51/15/632065115.db2.gz KBGFYACBHRLJOS-UHFFFAOYSA-N 1 0 317.433 3.205 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H](C)C[C@@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000850153124 632066986 /nfs/dbraw/zinc/06/69/86/632066986.db2.gz AJWPYVDRQUSLLA-QWHCGFSZSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000850188739 632076250 /nfs/dbraw/zinc/07/62/50/632076250.db2.gz YMMSRCCXXBRTDE-OTVXOJSOSA-N 1 0 321.461 3.339 20 10 DGCDRO COc1cc(C[NH2+]CCCOC(F)F)c(O)c(C(C)(C)C)c1 ZINC000850286855 632103253 /nfs/dbraw/zinc/10/32/53/632103253.db2.gz KYTXGPXYOGNUOZ-UHFFFAOYSA-N 1 0 317.376 3.417 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCn3ccnc32)c(O)c(C(C)(C)C)c1 ZINC000850312480 632111376 /nfs/dbraw/zinc/11/13/76/632111376.db2.gz OPHJEGXYZHETDY-OAHLLOKOSA-N 1 0 315.417 3.129 20 10 DGCDRO COc1cc(C[NH2+][C@H]2COCC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000850318062 632112598 /nfs/dbraw/zinc/11/25/98/632112598.db2.gz ONPGISIRYXILIH-HNNXBMFYSA-N 1 0 307.434 3.213 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c(O)c(C(C)(C)C)c1 ZINC000850337891 632117021 /nfs/dbraw/zinc/11/70/21/632117021.db2.gz AIYRDHSJNJGCPF-WQVCFCJDSA-N 1 0 305.418 3.108 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(F)cccc3F)C2)cc1 ZINC000850346356 632120089 /nfs/dbraw/zinc/12/00/89/632120089.db2.gz SEKVNSHELFRRLN-CYBMUJFWSA-N 1 0 318.367 3.342 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(F)c3)C2)cc1 ZINC000850346837 632120690 /nfs/dbraw/zinc/12/06/90/632120690.db2.gz YDIWZXCKGLRJBW-MRXNPFEDSA-N 1 0 300.377 3.203 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(F)c3F)C2)cc1 ZINC000850347397 632121002 /nfs/dbraw/zinc/12/10/02/632121002.db2.gz RRYNXIDXZRBXIA-CQSZACIVSA-N 1 0 318.367 3.342 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1 ZINC000850354955 632123522 /nfs/dbraw/zinc/12/35/22/632123522.db2.gz DVZCHFPCOJCGSH-GLFXFFKBSA-N 1 0 320.502 3.045 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c(O)c1 ZINC000850382159 632134132 /nfs/dbraw/zinc/13/41/32/632134132.db2.gz OQXDXHVUKXOEQT-HNNXBMFYSA-N 1 0 317.360 3.023 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1C ZINC000850384224 632135051 /nfs/dbraw/zinc/13/50/51/632135051.db2.gz IRTGQBWIJROSIW-ZWKOTPCHSA-N 1 0 313.445 3.238 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1C ZINC000850384869 632135178 /nfs/dbraw/zinc/13/51/78/632135178.db2.gz SFRWYEAGBAEOGG-WMZOPIPTSA-N 1 0 313.445 3.244 20 10 DGCDRO OC(C[NH2+]Cc1ccc(N2CCCCC2)cc1)(C1CC1)C1CC1 ZINC000850385846 632135184 /nfs/dbraw/zinc/13/51/84/632135184.db2.gz DSKWRHXYSHXOPS-UHFFFAOYSA-N 1 0 314.473 3.318 20 10 DGCDRO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000850395844 632138903 /nfs/dbraw/zinc/13/89/03/632138903.db2.gz ZVTYMIKZVGKMPR-VQTJNVASSA-N 1 0 311.425 3.469 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC3SCCS3)CC2)cc1 ZINC000850402408 632140582 /nfs/dbraw/zinc/14/05/82/632140582.db2.gz ZMNAWUNLWUPEAP-UHFFFAOYSA-N 1 0 324.515 3.060 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000850473987 632163764 /nfs/dbraw/zinc/16/37/64/632163764.db2.gz HAVHUXLAJMRTBV-HZPDHXFCSA-N 1 0 320.502 3.397 20 10 DGCDRO COC[C@@H](CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)OC ZINC000850485563 632166825 /nfs/dbraw/zinc/16/68/25/632166825.db2.gz LBZOLQAMWQZYDJ-QFBILLFUSA-N 1 0 320.477 3.379 20 10 DGCDRO COC[C@H](CC[NH2+][C@@H](C)c1ccc2ccccc2c1O)OC ZINC000850485249 632167139 /nfs/dbraw/zinc/16/71/39/632167139.db2.gz CLFACKOGAOQMRM-ZFWWWQNUSA-N 1 0 303.402 3.248 20 10 DGCDRO COC[C@H](CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)OC ZINC000850487204 632167846 /nfs/dbraw/zinc/16/78/46/632167846.db2.gz YEUPBCKESMVKQG-YPMHNXCESA-N 1 0 301.814 3.056 20 10 DGCDRO COC[C@@H](CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)OC ZINC000850487199 632167886 /nfs/dbraw/zinc/16/78/86/632167886.db2.gz YEUPBCKESMVKQG-DGCLKSJQSA-N 1 0 301.814 3.056 20 10 DGCDRO CC[C@H]([NH2+]CC[C@@H](COC)OC)c1cc(Cl)ccc1O ZINC000850486948 632167896 /nfs/dbraw/zinc/16/78/96/632167896.db2.gz WOXYOHPRDGSTRV-JSGCOSHPSA-N 1 0 301.814 3.138 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CC3CCOCC3)C2)cc1 ZINC000850486172 632167995 /nfs/dbraw/zinc/16/79/95/632167995.db2.gz ABAAYYIZYIZAKD-WBVHZDCISA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(F)cn3)C2)cc1 ZINC000850489654 632168418 /nfs/dbraw/zinc/16/84/18/632168418.db2.gz WGSKIIBSVLBGFD-ZFWWWQNUSA-N 1 0 315.392 3.159 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c(O)c1 ZINC000850501070 632172311 /nfs/dbraw/zinc/17/23/11/632172311.db2.gz JPOJFMUOBOFHGD-ZLOLFTAESA-N 1 0 309.475 3.349 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cc(Cl)ccc1O ZINC000850498790 632172463 /nfs/dbraw/zinc/17/24/63/632172463.db2.gz DFVCRPKJNSUZPL-ICCXJUOJSA-N 1 0 306.797 3.384 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ccc(C)cc1O ZINC000850500235 632172702 /nfs/dbraw/zinc/17/27/02/632172702.db2.gz DTGHJCARVDGUCN-IAGOWNOFSA-N 1 0 324.424 3.329 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c(O)c1C ZINC000850501897 632173423 /nfs/dbraw/zinc/17/34/23/632173423.db2.gz QYVZXGHXCUMUHX-ZLOLFTAESA-N 1 0 309.475 3.349 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(C)cc1O ZINC000850503751 632174446 /nfs/dbraw/zinc/17/44/46/632174446.db2.gz YTEHHWVWKVJTIB-YOEYTUCGSA-N 1 0 309.475 3.431 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(C)cc1O ZINC000850503748 632174495 /nfs/dbraw/zinc/17/44/95/632174495.db2.gz YTEHHWVWKVJTIB-PBOVLVJJSA-N 1 0 309.475 3.431 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3cc(F)ccc3C2)c1 ZINC000850537029 632186060 /nfs/dbraw/zinc/18/60/60/632186060.db2.gz MJEXWIGFJRVUNI-IUODEOHRSA-N 1 0 301.361 3.494 20 10 DGCDRO Cc1cncc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000850548780 632189040 /nfs/dbraw/zinc/18/90/40/632189040.db2.gz AANVRQIIWRZDFK-LBPRGKRZSA-N 1 0 305.809 3.346 20 10 DGCDRO Cc1cncc(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000850550183 632190044 /nfs/dbraw/zinc/19/00/44/632190044.db2.gz NCRJIDGBAFUTIL-CQSZACIVSA-N 1 0 311.429 3.263 20 10 DGCDRO C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(F)ccc1O ZINC000850551295 632190077 /nfs/dbraw/zinc/19/00/77/632190077.db2.gz QMCQTLNMVWEULE-NSHDSACASA-N 1 0 303.381 3.383 20 10 DGCDRO C[C@H]([NH2+]CC1=CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850558452 632192551 /nfs/dbraw/zinc/19/25/51/632192551.db2.gz XIJSYCOYRAGBLG-AWEZNQCLSA-N 1 0 304.409 3.423 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850558878 632193732 /nfs/dbraw/zinc/19/37/32/632193732.db2.gz VAKMKBJBWVOOJM-GJZGRUSLSA-N 1 0 317.477 3.050 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c(O)c1C ZINC000850562645 632194641 /nfs/dbraw/zinc/19/46/41/632194641.db2.gz OTAXNBULJGMMGH-HNAYVOBHSA-N 1 0 321.461 3.227 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000850565383 632195485 /nfs/dbraw/zinc/19/54/85/632195485.db2.gz DEMUOMBNBNYLTE-AWEZNQCLSA-N 1 0 300.402 3.092 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000850565385 632195830 /nfs/dbraw/zinc/19/58/30/632195830.db2.gz DEMUOMBNBNYLTE-CQSZACIVSA-N 1 0 300.402 3.092 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000850568470 632196556 /nfs/dbraw/zinc/19/65/56/632196556.db2.gz YGSULQQUESMBKE-VQTJNVASSA-N 1 0 314.473 3.316 20 10 DGCDRO C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000850580820 632201257 /nfs/dbraw/zinc/20/12/57/632201257.db2.gz BJVDWSQBVDSMTQ-LBPRGKRZSA-N 1 0 324.415 3.443 20 10 DGCDRO CC[N@H+](CCOC(F)F)Cc1cc(Br)ccc1O ZINC000851793110 632495822 /nfs/dbraw/zinc/49/58/22/632495822.db2.gz TVWIBHQLJBSJDM-UHFFFAOYSA-N 1 0 324.165 3.216 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000851900545 632518264 /nfs/dbraw/zinc/51/82/64/632518264.db2.gz VFZBMBZJVHJJBF-SNVBAGLBSA-N 1 0 320.320 3.299 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCc3ccccc3C2)c1 ZINC000184923655 660195511 /nfs/dbraw/zinc/19/55/11/660195511.db2.gz VJSDDBJNYVZOMM-INIZCTEOSA-N 1 0 310.441 3.410 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c(O)c1 ZINC000185164404 660205572 /nfs/dbraw/zinc/20/55/72/660205572.db2.gz YFHVFKAGILHVRG-LSDHHAIUSA-N 1 0 310.397 3.157 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccccc2C)c1 ZINC000185185965 660206785 /nfs/dbraw/zinc/20/67/85/660206785.db2.gz YURNRILNNKGFGT-CQSZACIVSA-N 1 0 301.386 3.439 20 10 DGCDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000227372717 659154292 /nfs/dbraw/zinc/15/42/92/659154292.db2.gz YESPOLBWHPUTNK-GFCCVEGCSA-N 1 0 316.239 3.041 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccco2)c1 ZINC000185836135 660247399 /nfs/dbraw/zinc/24/73/99/660247399.db2.gz MIEZQPCLGDNONR-MKBNYLNASA-N 1 0 305.374 3.157 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1O ZINC000186134771 660269845 /nfs/dbraw/zinc/26/98/45/660269845.db2.gz OLDZWANXHZWIQG-PBHICJAKSA-N 1 0 310.397 3.238 20 10 DGCDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000701120000 660654391 /nfs/dbraw/zinc/65/43/91/660654391.db2.gz WDMNQOLEHOSCBE-YMTOWFKASA-N 1 0 314.223 3.058 20 10 DGCDRO Cc1cccc(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000701856006 660690656 /nfs/dbraw/zinc/69/06/56/660690656.db2.gz NXLJYYCQYAFZQS-GOSISDBHSA-N 1 0 320.433 3.190 20 10 DGCDRO CO[C@](C)(C[NH2+]Cc1ccccc1O)COCc1ccccc1 ZINC000702820088 660742230 /nfs/dbraw/zinc/74/22/30/660742230.db2.gz SBDKMFOVCYHANP-LJQANCHMSA-N 1 0 315.413 3.104 20 10 DGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1c(O)cccc1Br)OC ZINC000706799905 660871508 /nfs/dbraw/zinc/87/15/08/660871508.db2.gz HZNZZVWDPSGZIR-QMTHXVAHSA-N 1 0 316.239 3.305 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1c(O)cccc1Br)OC ZINC000706799903 660871603 /nfs/dbraw/zinc/87/16/03/660871603.db2.gz HZNZZVWDPSGZIR-IINYFYTJSA-N 1 0 316.239 3.305 20 10 DGCDRO CC(C)(C)C[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000706808658 660873526 /nfs/dbraw/zinc/87/35/26/660873526.db2.gz WUBGKQAXSNFBIM-SNVBAGLBSA-N 1 0 316.239 3.041 20 10 DGCDRO CCOCC(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC000706830448 660874252 /nfs/dbraw/zinc/87/42/52/660874252.db2.gz XCVWCHWBOZYNPM-UHFFFAOYSA-N 1 0 316.239 3.307 20 10 DGCDRO COCCC1(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706868983 660875559 /nfs/dbraw/zinc/87/55/59/660875559.db2.gz YJLGGSCSUBUVBV-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO COCCC(C)(C)[NH2+]Cc1c(O)cccc1Br ZINC000706872862 660875871 /nfs/dbraw/zinc/87/58/71/660875871.db2.gz QSBGZWIAPVJSMZ-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO CSCC[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706880461 660879310 /nfs/dbraw/zinc/87/93/10/660879310.db2.gz ATIBHJJIVFGSHH-SECBINFHSA-N 1 0 304.253 3.386 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000707145875 660888164 /nfs/dbraw/zinc/88/81/64/660888164.db2.gz JXXXQSSRYVBIEZ-GHMZBOCLSA-N 1 0 314.223 3.154 20 10 DGCDRO CC[N@@H+](Cc1c(O)cccc1Br)C[C@@H]1CCCO1 ZINC000707145018 660889955 /nfs/dbraw/zinc/88/99/55/660889955.db2.gz FFGKDESYSFTOPB-NSHDSACASA-N 1 0 314.223 3.156 20 10 DGCDRO COC[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792824628 660987109 /nfs/dbraw/zinc/98/71/09/660987109.db2.gz OEPAQNBSMWMCJF-LBPRGKRZSA-N 1 0 316.367 3.240 20 10 DGCDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793042910 661001435 /nfs/dbraw/zinc/00/14/35/661001435.db2.gz OTVLTKRBTDLHAP-AWEZNQCLSA-N 1 0 304.356 3.022 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1 ZINC000793388691 661029180 /nfs/dbraw/zinc/02/91/80/661029180.db2.gz FFTTUTFCRKVXLX-LJQANCHMSA-N 1 0 317.477 3.010 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c(O)c1 ZINC000793387495 661029299 /nfs/dbraw/zinc/02/92/99/661029299.db2.gz FOJLUZCHRUONCH-UHFFFAOYSA-N 1 0 322.748 3.252 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(C)nn2C)cc1 ZINC000793519886 661040731 /nfs/dbraw/zinc/04/07/31/661040731.db2.gz DQLAWEYLZKXJOC-HNNXBMFYSA-N 1 0 300.450 3.426 20 10 DGCDRO C[C@]12CC[N@H+](Cc3c(O)ccc4ccncc43)C[C@H]1C2(F)F ZINC000793535499 661042970 /nfs/dbraw/zinc/04/29/70/661042970.db2.gz XDUOLLOKUIPUQS-CVEARBPZSA-N 1 0 304.340 3.418 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cnc3n2CCCC3)c2c1c(F)ccc2O ZINC000793566235 661046205 /nfs/dbraw/zinc/04/62/05/661046205.db2.gz SPQDRZPCXPHACJ-RISCZKNCSA-N 1 0 315.392 3.402 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H](C3CCC3)C1)CCC2 ZINC000793747235 661055487 /nfs/dbraw/zinc/05/54/87/661055487.db2.gz VYSWYXFQJHNLGN-SFHVURJKSA-N 1 0 301.430 3.129 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNC3(C(F)F)CCCC3)cc2)CC1 ZINC000808451352 661090899 /nfs/dbraw/zinc/09/08/99/661090899.db2.gz JCOHRYYCOYAUNE-UHFFFAOYSA-N 1 0 323.431 3.106 20 10 DGCDRO CC[C@H]([NH2+]CCCN1CCCCC1=O)c1ccc(C)cc1O ZINC000794809907 661106475 /nfs/dbraw/zinc/10/64/75/661106475.db2.gz RUOWIXPCXCOIEU-INIZCTEOSA-N 1 0 304.434 3.144 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(C)cc1O ZINC000794815721 661107184 /nfs/dbraw/zinc/10/71/84/661107184.db2.gz LDKMQLQDFWQSMV-NVXWUHKLSA-N 1 0 319.445 3.470 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1cc2c(cc1O)CCCC2 ZINC000794832878 661108432 /nfs/dbraw/zinc/10/84/32/661108432.db2.gz IDGOOOXNFXXDBU-GUYCJALGSA-N 1 0 303.446 3.473 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c(O)cc1C ZINC000160373683 655626168 /nfs/dbraw/zinc/62/61/68/655626168.db2.gz TWGXPFBGQGJLLQ-MRXNPFEDSA-N 1 0 307.434 3.346 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000795729791 661170385 /nfs/dbraw/zinc/17/03/85/661170385.db2.gz KNRASJPAKLJSSA-CYBMUJFWSA-N 1 0 307.340 3.401 20 10 DGCDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)c(F)c1 ZINC000175990317 655681410 /nfs/dbraw/zinc/68/14/10/655681410.db2.gz MNYCYUILXMCHEX-UHFFFAOYSA-N 1 0 321.323 3.424 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)C[C@@H]3CCOC3)c2c1 ZINC000176101727 655739900 /nfs/dbraw/zinc/73/99/00/655739900.db2.gz ZODTXXWNRKVKJX-ZDUSSCGKSA-N 1 0 301.386 3.022 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934334418 655768731 /nfs/dbraw/zinc/76/87/31/655768731.db2.gz UWAOEACHLAVYEV-OAHLLOKOSA-N 1 0 301.459 3.274 20 10 DGCDRO CC[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Cl)ccc1O ZINC000798005566 661187205 /nfs/dbraw/zinc/18/72/05/661187205.db2.gz WVUGTWNRQDMJPA-RBZFPXEDSA-N 1 0 315.866 3.388 20 10 DGCDRO CC[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Cl)ccc1O ZINC000798005573 661187330 /nfs/dbraw/zinc/18/73/30/661187330.db2.gz WVUGTWNRQDMJPA-ZUOKHONESA-N 1 0 315.866 3.388 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000179879622 656088963 /nfs/dbraw/zinc/08/89/63/656088963.db2.gz WVBLZSHYOPDSAR-ZIAGYGMSSA-N 1 0 320.433 3.442 20 10 DGCDRO Cc1ncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000123412937 656179237 /nfs/dbraw/zinc/17/92/37/656179237.db2.gz UKVKCLAARCQWNN-CYBMUJFWSA-N 1 0 317.458 3.139 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000236732424 656305887 /nfs/dbraw/zinc/30/58/87/656305887.db2.gz UVBHPMRVJTXTIG-HOTGVXAUSA-N 1 0 318.461 3.157 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(Cl)c1 ZINC000840945997 656580688 /nfs/dbraw/zinc/58/06/88/656580688.db2.gz FELNHNXLAMFXCT-CZUORRHYSA-N 1 0 308.853 3.413 20 10 DGCDRO C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc(F)ccc1O ZINC000317536498 656629002 /nfs/dbraw/zinc/62/90/02/656629002.db2.gz KXOWZZOBFOXUKX-LRDDRELGSA-N 1 0 305.397 3.493 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1C ZINC000840963939 656860305 /nfs/dbraw/zinc/86/03/05/656860305.db2.gz TZSWDNBAERNWLK-MRXNPFEDSA-N 1 0 303.377 3.014 20 10 DGCDRO Cc1ccncc1C[NH2+]Cc1cc(Br)ccc1O ZINC000235816059 656949950 /nfs/dbraw/zinc/94/99/50/656949950.db2.gz XYPOZQUTJXLEAQ-UHFFFAOYSA-N 1 0 307.191 3.148 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H](O)Cc1ccccc1 ZINC000248488791 657029223 /nfs/dbraw/zinc/02/92/23/657029223.db2.gz HAHLJPCXWLSRIU-AHIWAGSCSA-N 1 0 303.377 3.174 20 10 DGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2cc(C)cc(C)c2O)cc1 ZINC000178853366 657088146 /nfs/dbraw/zinc/08/81/46/657088146.db2.gz IJDWWTQREPWSMM-UHFFFAOYSA-N 1 0 313.397 3.428 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1 ZINC000319981727 657303963 /nfs/dbraw/zinc/30/39/63/657303963.db2.gz JRGMCEMQTDUTHG-CXAGYDPISA-N 1 0 317.433 3.363 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@]2(N(C)C)CCC[C@H](C)C2)c1O ZINC000237210366 657381732 /nfs/dbraw/zinc/38/17/32/657381732.db2.gz SAKNMWJWPDWXBE-KBXCAEBGSA-N 1 0 306.450 3.001 20 10 DGCDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000305251152 657697995 /nfs/dbraw/zinc/69/79/95/657697995.db2.gz KEMMOOLRUYONFP-IUODEOHRSA-N 1 0 307.434 3.131 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(C)C)[C@@H]2C)cc1C ZINC000985899170 657913538 /nfs/dbraw/zinc/91/35/38/657913538.db2.gz NONINSWWQGXWJZ-WBVHZDCISA-N 1 0 318.461 3.129 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(C)C)[C@@H]2C)cc1C ZINC000985899167 657913549 /nfs/dbraw/zinc/91/35/49/657913549.db2.gz NONINSWWQGXWJZ-NVXWUHKLSA-N 1 0 318.461 3.129 20 10 DGCDRO C/C=C(/C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC000986131441 657993994 /nfs/dbraw/zinc/99/39/94/657993994.db2.gz DBTGGBXBCOKTKA-HUAAUVSZSA-N 1 0 316.445 3.049 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000305755128 658006080 /nfs/dbraw/zinc/00/60/80/658006080.db2.gz AJHDLRMSHYTKFB-APPDUMDISA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2F)c1 ZINC000305767940 658038841 /nfs/dbraw/zinc/03/88/41/658038841.db2.gz IHBJKBGYBRQLOR-DYZYQPBXSA-N 1 0 323.339 3.063 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321328303 658164934 /nfs/dbraw/zinc/16/49/34/658164934.db2.gz JBNHCRWPDACELV-UWVGGRQHSA-N 1 0 315.348 3.113 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CC(C)C)C2)cc1C ZINC000987836350 658272790 /nfs/dbraw/zinc/27/27/90/658272790.db2.gz SLSRECVWMCMZSR-WBVHZDCISA-N 1 0 318.461 3.129 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1 ZINC000323013260 658602061 /nfs/dbraw/zinc/60/20/61/658602061.db2.gz ONNGKJLXMCAMDH-LJQANCHMSA-N 1 0 312.457 3.226 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCCC[C@H]2OC)ccc1OC ZINC000278705224 658641718 /nfs/dbraw/zinc/64/17/18/658641718.db2.gz JXWMJLFDLMXQJE-SJLPKXTDSA-N 1 0 307.434 3.279 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CCOCC1 ZINC000163638812 658889103 /nfs/dbraw/zinc/88/91/03/658889103.db2.gz DWTAMKSKLDYIHX-HNNXBMFYSA-N 1 0 320.502 3.145 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccncc1 ZINC000156470464 658924589 /nfs/dbraw/zinc/92/45/89/658924589.db2.gz UACHKOSPRINPCG-HNNXBMFYSA-N 1 0 313.470 3.486 20 10 DGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C12CCC2 ZINC000164512559 658936852 /nfs/dbraw/zinc/93/68/52/658936852.db2.gz CQSSEINRYDDPJN-SJORKVTESA-N 1 0 319.445 3.489 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCn2cccn2)cc1F ZINC000157772910 659096275 /nfs/dbraw/zinc/09/62/75/659096275.db2.gz UWYJYETZBDRRSA-HNNXBMFYSA-N 1 0 318.440 3.437 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CCn2cccn2)cc1F ZINC000157773042 659096859 /nfs/dbraw/zinc/09/68/59/659096859.db2.gz UWYJYETZBDRRSA-OAHLLOKOSA-N 1 0 318.440 3.437 20 10 DGCDRO COc1ccc(N2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000059569865 659147218 /nfs/dbraw/zinc/14/72/18/659147218.db2.gz BMTOPEHIBBYPGA-UHFFFAOYSA-N 1 0 314.404 3.199 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](SC)C2)c1O ZINC000230934996 659357680 /nfs/dbraw/zinc/35/76/80/659357680.db2.gz QHPLAPLMDYHWSZ-NWDGAFQWSA-N 1 0 301.839 3.428 20 10 DGCDRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1ccccc1O ZINC000230950811 659360093 /nfs/dbraw/zinc/36/00/93/659360093.db2.gz CMCIGFGVXKKAHH-HNNXBMFYSA-N 1 0 322.449 3.279 20 10 DGCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)CC1(c2ccccc2)CC1 ZINC000188826444 659492027 /nfs/dbraw/zinc/49/20/27/659492027.db2.gz IZJYQIKRWFCSSV-UHFFFAOYSA-N 1 0 311.381 3.285 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000179574448 659933265 /nfs/dbraw/zinc/93/32/65/659933265.db2.gz KILPYDIEGXBXFU-KRWDZBQOSA-N 1 0 310.397 3.020 20 10 DGCDRO C[C@H]1CCC[C@@](C[NH2+]Cc2ccc3c(c2)CCO3)(N(C)C)C1 ZINC000237691404 659936657 /nfs/dbraw/zinc/93/66/57/659936657.db2.gz MZGNJJGDOXKLQM-HNAYVOBHSA-N 1 0 302.462 3.222 20 10 DGCDRO CC1CC[NH+](C[C@H]2CCCN(Cc3cc(F)ccc3O)C2)CC1 ZINC000180001339 659949344 /nfs/dbraw/zinc/94/93/44/659949344.db2.gz VXJMLLBJPZWCBY-MRXNPFEDSA-N 1 0 320.452 3.475 20 10 DGCDRO [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070169474 660039948 /nfs/dbraw/zinc/03/99/48/660039948.db2.gz JJCVAQVYUPNASK-SNVBAGLBSA-N 1 0 303.233 3.260 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(CC)CC ZINC000076074117 660086949 /nfs/dbraw/zinc/08/69/49/660086949.db2.gz CVJDXSTVTCSARS-AWEZNQCLSA-N 1 0 306.450 3.298 20 10 DGCDRO CCCCOCCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000076274225 660157658 /nfs/dbraw/zinc/15/76/58/660157658.db2.gz ZUTWJBBQMUPEBC-UHFFFAOYSA-N 1 0 301.814 3.351 20 10 DGCDRO CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC000995338585 660183870 /nfs/dbraw/zinc/18/38/70/660183870.db2.gz HSEZQFVYBGCYRN-QGZVFWFLSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2ccc(F)nc2)cc1 ZINC000930852063 661434582 /nfs/dbraw/zinc/43/45/82/661434582.db2.gz GEUCVYFVXLNIGK-AWEZNQCLSA-N 1 0 317.408 3.359 20 10 DGCDRO CSCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000932586279 661583086 /nfs/dbraw/zinc/58/30/86/661583086.db2.gz WXXUGTHMOIGKNH-UHFFFAOYSA-N 1 0 320.502 3.098 20 10 DGCDRO c1cc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)ccn1 ZINC000934699581 661727530 /nfs/dbraw/zinc/72/75/30/661727530.db2.gz ZRRNSCQNSODASY-FQEVSTJZSA-N 1 0 323.440 3.159 20 10 DGCDRO Cc1cc(C[NH+]2CCC3(CC2)OCCO3)c(O)c(C(C)(C)C)c1 ZINC000045715481 661866658 /nfs/dbraw/zinc/86/66/58/661866658.db2.gz DENVWBRRSHLLLU-UHFFFAOYSA-N 1 0 319.445 3.337 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(N2CCOCC2)cc1 ZINC000187868893 661905938 /nfs/dbraw/zinc/90/59/38/661905938.db2.gz CPGIAKYEWBANMJ-QAPCUYQASA-N 1 0 318.461 3.131 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(F)nc2)cc1F ZINC000189082060 661961987 /nfs/dbraw/zinc/96/19/87/661961987.db2.gz UUUXROVUNOULBZ-UHFFFAOYSA-N 1 0 305.372 3.496 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCSC[C@@H](C)C2)c1O ZINC000190426722 662032277 /nfs/dbraw/zinc/03/22/77/662032277.db2.gz YQGGURCPEMMYRD-JTQLQIEISA-N 1 0 313.850 3.433 20 10 DGCDRO CC[NH+](CC)CCCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000191811621 662081347 /nfs/dbraw/zinc/08/13/47/662081347.db2.gz APKCXRKKZHXLIM-GOSISDBHSA-N 1 0 320.477 3.105 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCC[NH+](C)C ZINC000078727132 662083071 /nfs/dbraw/zinc/08/30/71/662083071.db2.gz QZURLDJNNZBRSH-UHFFFAOYSA-N 1 0 313.445 3.084 20 10 DGCDRO COCCO[C@@H]1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000193415465 662133569 /nfs/dbraw/zinc/13/35/69/662133569.db2.gz GEYGUCONURCPMN-QGZVFWFLSA-N 1 0 321.461 3.451 20 10 DGCDRO COCCO[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000193417216 662133640 /nfs/dbraw/zinc/13/36/40/662133640.db2.gz XOKBOKYKCROIOH-INIZCTEOSA-N 1 0 315.413 3.173 20 10 DGCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000090891319 662284850 /nfs/dbraw/zinc/28/48/50/662284850.db2.gz UWYOEDWRGMCKHJ-LIRRHRJNSA-N 1 0 316.420 3.450 20 10 DGCDRO CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001037121877 662307903 /nfs/dbraw/zinc/30/79/03/662307903.db2.gz GMWFBDLOODKGRU-IRXDYDNUSA-N 1 0 318.461 3.178 20 10 DGCDRO CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001037121875 662308062 /nfs/dbraw/zinc/30/80/62/662308062.db2.gz GMWFBDLOODKGRU-DLBZAZTESA-N 1 0 318.461 3.178 20 10 DGCDRO COc1cc2c(c(C[N@H+](C)Cc3ccccc3O)c1)O[C@@H](C)C2 ZINC000091956490 662325211 /nfs/dbraw/zinc/32/52/11/662325211.db2.gz BYWVNSAPUAFCMB-ZDUSSCGKSA-N 1 0 313.397 3.356 20 10 DGCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092093940 662327389 /nfs/dbraw/zinc/32/73/89/662327389.db2.gz MZNCVYJXOVAPLB-HNNXBMFYSA-N 1 0 305.418 3.256 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H](O)Cc1ccccc1 ZINC000248534327 662352045 /nfs/dbraw/zinc/35/20/45/662352045.db2.gz ZRVABIVGMVORPY-JCGVRSQUSA-N 1 0 303.377 3.174 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1OC ZINC000378874199 685145355 /nfs/dbraw/zinc/14/53/55/685145355.db2.gz WDHZXGNFNIGOBX-AWEZNQCLSA-N 1 0 315.369 3.370 20 10 DGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)OC ZINC000381338131 685156591 /nfs/dbraw/zinc/15/65/91/685156591.db2.gz AXGTXBWHFDFFIO-HZMBPMFUSA-N 1 0 301.814 3.205 20 10 DGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)OC ZINC000381338138 685156614 /nfs/dbraw/zinc/15/66/14/685156614.db2.gz AXGTXBWHFDFFIO-YGRLFVJLSA-N 1 0 301.814 3.205 20 10 DGCDRO OC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000386251647 685177396 /nfs/dbraw/zinc/17/73/96/685177396.db2.gz LEOOAVHVDXUKHW-IBGZPJMESA-N 1 0 302.462 3.318 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCOCc2ccccc2)c(O)c1 ZINC000389971279 685198541 /nfs/dbraw/zinc/19/85/41/685198541.db2.gz VCOHNJZFKBCUIH-HNNXBMFYSA-N 1 0 315.413 3.486 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000390701666 685204417 /nfs/dbraw/zinc/20/44/17/685204417.db2.gz DBLACNSQFDEZKF-OAHLLOKOSA-N 1 0 316.832 3.410 20 10 DGCDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001576972537 1191877809 /nfs/dbraw/zinc/87/78/09/1191877809.db2.gz VWXBLBPIMJIDKM-KDOFPFPSSA-N 1 0 317.477 3.007 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577457838 1191903224 /nfs/dbraw/zinc/90/32/24/1191903224.db2.gz GYJVHWFFBLCEJR-GOEBONIOSA-N 1 0 304.434 3.038 20 10 DGCDRO CN(C)c1ccc(CNc2ccc3c(c2F)CC[NH2+]C3)cc1F ZINC001578426152 1191942551 /nfs/dbraw/zinc/94/25/51/1191942551.db2.gz WBUSZAUSRGBQHI-UHFFFAOYSA-N 1 0 317.383 3.289 20 10 DGCDRO COc1cccc(N(CC(C)C)C(=O)/C=C\[C@@H]2CCC[NH2+]C2)c1 ZINC001579280247 1191971742 /nfs/dbraw/zinc/97/17/42/1191971742.db2.gz GCKOFQFZACRRSJ-YDZSZYSISA-N 1 0 316.445 3.240 20 10 DGCDRO Cc1cc(O)c(CN[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1Cl ZINC001579638454 1191983656 /nfs/dbraw/zinc/98/36/56/1191983656.db2.gz XWESSPODWIJRPS-DOTOQJQBSA-N 1 0 316.832 3.199 20 10 DGCDRO CC(C)[C@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001620802030 1192083589 /nfs/dbraw/zinc/08/35/89/1192083589.db2.gz YJFDSQYWNNGUTA-OAHLLOKOSA-N 1 0 318.383 3.268 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c(O)c1C ZINC001592136028 1192595091 /nfs/dbraw/zinc/59/50/91/1192595091.db2.gz QWGYQKZQLKQHHL-ZDUSSCGKSA-N 1 0 323.400 3.040 20 10 DGCDRO OC[C@@H](CC1CCCC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001620914990 1192596796 /nfs/dbraw/zinc/59/67/96/1192596796.db2.gz MZNDKUKWTMDFJX-GOSISDBHSA-N 1 0 302.462 3.318 20 10 DGCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001592230124 1192603219 /nfs/dbraw/zinc/60/32/19/1192603219.db2.gz LYVZEULRRYLRGJ-ZDUSSCGKSA-N 1 0 323.400 3.074 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CC(N)=O)c1ccccc1 ZINC001620950494 1192645001 /nfs/dbraw/zinc/64/50/01/1192645001.db2.gz CTUWIDWZLILWRP-KRWDZBQOSA-N 1 0 321.424 3.193 20 10 DGCDRO C[C@H]1CC([NH2+]Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000128751625 1176059717 /nfs/dbraw/zinc/05/97/17/1176059717.db2.gz BNKUIQPJOSACDW-UWVGGRQHSA-N 1 0 314.223 3.200 20 10 DGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)CCC2CCC2)cc1C ZINC001691284318 1176423303 /nfs/dbraw/zinc/42/33/03/1176423303.db2.gz CCUBTHLIBVMFKK-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCOC[C@H]1CCOC1 ZINC001254720837 1178081596 /nfs/dbraw/zinc/08/15/96/1178081596.db2.gz AIXNCQVHKPZDGG-OAGGEKHMSA-N 1 0 319.445 3.282 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CCC2CC2)cc1C ZINC001331410080 1178207023 /nfs/dbraw/zinc/20/70/23/1178207023.db2.gz NJGVEWGRJAEUKC-HNNXBMFYSA-N 1 0 318.461 3.130 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1F ZINC001331496873 1178226927 /nfs/dbraw/zinc/22/69/27/1178226927.db2.gz DAFMVCJAYJGWEA-VMGRFDJRSA-N 1 0 310.388 3.078 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](CO)Cc1ccoc1 ZINC001331931716 1178312132 /nfs/dbraw/zinc/31/21/32/1178312132.db2.gz ASHILYUVRJOXJY-FVQBIDKESA-N 1 0 315.413 3.283 20 10 DGCDRO COc1cc(CC[NH2+]Cc2ccc(N3CCCC3)cc2)ccn1 ZINC001621028280 1192909942 /nfs/dbraw/zinc/90/99/42/1192909942.db2.gz VMVBXNYVSFERRY-UHFFFAOYSA-N 1 0 311.429 3.023 20 10 DGCDRO CC[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccccc1O ZINC001334889194 1178822645 /nfs/dbraw/zinc/82/26/45/1178822645.db2.gz HVJUTFWAWPJYES-GFCCVEGCSA-N 1 0 313.323 3.385 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC001335287832 1178886580 /nfs/dbraw/zinc/88/65/80/1178886580.db2.gz BXRIYVYYEMEQRS-AWEZNQCLSA-N 1 0 324.350 3.321 20 10 DGCDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001341568767 1179030681 /nfs/dbraw/zinc/03/06/81/1179030681.db2.gz DZWSEOIGNRARKO-ZWKOTPCHSA-N 1 0 320.502 3.239 20 10 DGCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC001342931461 1179211719 /nfs/dbraw/zinc/21/17/19/1179211719.db2.gz JZNFFGLJQLITLP-KRWDZBQOSA-N 1 0 320.477 3.064 20 10 DGCDRO Cc1cc(-c2nnc(Cn3ccnc3)o2)c(C)n1-c1ccccc1 ZINC001347426650 1179807519 /nfs/dbraw/zinc/80/75/19/1179807519.db2.gz XEJZEVROBFFXNG-UHFFFAOYSA-N 1 0 319.368 3.389 20 10 DGCDRO Nc1ccc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001352789007 1180398632 /nfs/dbraw/zinc/39/86/32/1180398632.db2.gz UAFGRYZNCPNVST-KRWDZBQOSA-N 1 0 304.340 3.121 20 10 DGCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)ccc1F ZINC001200376906 1180586760 /nfs/dbraw/zinc/58/67/60/1180586760.db2.gz HMKJLXGPTKCQCY-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](c1nncn1C)C(C)C ZINC001353932178 1180687007 /nfs/dbraw/zinc/68/70/07/1180687007.db2.gz GXVYTGFVVAFUKS-IGCXYCKISA-N 1 0 314.433 3.364 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c(O)c1OC ZINC001355321783 1181035995 /nfs/dbraw/zinc/03/59/95/1181035995.db2.gz SOTKNTCHENWCIH-BZNIZROVSA-N 1 0 315.369 3.021 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]CCCC(F)(F)F)N(C)C)cc1 ZINC001355373950 1181047313 /nfs/dbraw/zinc/04/73/13/1181047313.db2.gz QRNBNJHIHHPUFH-HNNXBMFYSA-N 1 0 317.399 3.287 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2c(F)cccc2OC)c1O ZINC001356062356 1181134579 /nfs/dbraw/zinc/13/45/79/1181134579.db2.gz MVWRWBLKNQMXSI-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO Cc1cc(C[NH+]2CCC(c3cncn3C)CC2)ccc1N(C)C ZINC001460967519 1182747517 /nfs/dbraw/zinc/74/75/17/1182747517.db2.gz XIGJSZQKIBXGOK-UHFFFAOYSA-N 1 0 312.461 3.174 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCCC[C@H]1C ZINC001461048767 1182760957 /nfs/dbraw/zinc/76/09/57/1182760957.db2.gz RTSOMCNFTJTJCJ-HZPDHXFCSA-N 1 0 302.462 3.364 20 10 DGCDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(-c2ccccc2)n1 ZINC001461128750 1182772139 /nfs/dbraw/zinc/77/21/39/1182772139.db2.gz JOSOKIRVIKIKKX-UHFFFAOYSA-N 1 0 319.408 3.312 20 10 DGCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001461267815 1182789473 /nfs/dbraw/zinc/78/94/73/1182789473.db2.gz QNMNUJTUXHLQGT-QYWGDWMGSA-N 1 0 309.475 3.173 20 10 DGCDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(Br)cc1O ZINC001461965105 1182887541 /nfs/dbraw/zinc/88/75/41/1182887541.db2.gz ZBEJUZBBDFDRIP-ZJUUUORDSA-N 1 0 316.264 3.481 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC001462179269 1182919095 /nfs/dbraw/zinc/91/90/95/1182919095.db2.gz NACHXLOEFQMLTE-VCBZYWHSSA-N 1 0 319.445 3.284 20 10 DGCDRO CCOC(=O)CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC001462386209 1182945218 /nfs/dbraw/zinc/94/52/18/1182945218.db2.gz GVRYNBYOKKKUJE-FPLPWBNLSA-N 1 0 318.461 3.429 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC001462454492 1182954778 /nfs/dbraw/zinc/95/47/78/1182954778.db2.gz GHLWBBCTWHKECK-QGZVFWFLSA-N 1 0 316.832 3.410 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)c1 ZINC001462479807 1182959104 /nfs/dbraw/zinc/95/91/04/1182959104.db2.gz KORZADQKPCNHQV-SFHVURJKSA-N 1 0 321.417 3.097 20 10 DGCDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001462542847 1182966093 /nfs/dbraw/zinc/96/60/93/1182966093.db2.gz PSPVIZMIXGFDEW-QGZVFWFLSA-N 1 0 303.494 3.210 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(Br)CC2)cc1Cl ZINC001462629373 1182977115 /nfs/dbraw/zinc/97/71/15/1182977115.db2.gz LGPHNDYAWVVCKT-UHFFFAOYSA-N 1 0 304.615 3.371 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1OC ZINC001462635421 1182977229 /nfs/dbraw/zinc/97/72/29/1182977229.db2.gz KJLQZINSGMYBFD-OAHLLOKOSA-N 1 0 317.360 3.326 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cn4cccc(F)c4n3)ccc21 ZINC001473963581 1183838956 /nfs/dbraw/zinc/83/89/56/1183838956.db2.gz GRNMNKJUFJHDQG-UHFFFAOYSA-N 1 0 324.403 3.146 20 10 DGCDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001474022519 1183852707 /nfs/dbraw/zinc/85/27/07/1183852707.db2.gz XQYZTRBRERCVJC-RDJZCZTQSA-N 1 0 312.404 3.324 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(O)CCCC2(C)C)cc1F ZINC001474159481 1183876252 /nfs/dbraw/zinc/87/62/52/1183876252.db2.gz OZMKDKBSEKOKJS-QGZVFWFLSA-N 1 0 312.404 3.062 20 10 DGCDRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001474176350 1183877615 /nfs/dbraw/zinc/87/76/15/1183877615.db2.gz GEAHBSWHGPBWMA-INIZCTEOSA-N 1 0 303.406 3.473 20 10 DGCDRO Cc1csc(N2CCC([NH2+][C@@H](C)c3ccccc3O)CC2)n1 ZINC001474253083 1183890713 /nfs/dbraw/zinc/89/07/13/1183890713.db2.gz IOHIACJRVYKDNC-ZDUSSCGKSA-N 1 0 317.458 3.477 20 10 DGCDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CS1 ZINC001474292156 1183897678 /nfs/dbraw/zinc/89/76/78/1183897678.db2.gz XHSSPICJDRUKPS-QGPMSJSTSA-N 1 0 321.534 3.229 20 10 DGCDRO COc1cccc(C[NH2+]CCCc2ccc(F)c(F)c2)c1O ZINC001474501422 1183931891 /nfs/dbraw/zinc/93/18/91/1183931891.db2.gz YFXIDBZVXJVREU-UHFFFAOYSA-N 1 0 307.340 3.401 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC001474646843 1183954398 /nfs/dbraw/zinc/95/43/98/1183954398.db2.gz JCRZIDXBBXEXMO-HKUYNNGSSA-N 1 0 318.461 3.273 20 10 DGCDRO CCCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001505561324 1186104717 /nfs/dbraw/zinc/10/47/17/1186104717.db2.gz KMZRAPPGTMGDSX-CABCVRRESA-N 1 0 306.450 3.177 20 10 DGCDRO C[C@@H](NC(=O)[C@@H](C[NH3+])C1CCCCCC1)c1ccccc1O ZINC001522341581 1187077059 /nfs/dbraw/zinc/07/70/59/1187077059.db2.gz HBSWUTZOJOUCIY-CJNGLKHVSA-N 1 0 304.434 3.115 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)ccc1N1CCCCC1 ZINC001616825182 1193548392 /nfs/dbraw/zinc/54/83/92/1193548392.db2.gz XTHRXWPZDQKUFX-DNVCBOLYSA-N 1 0 302.462 3.188 20 10 DGCDRO CC[C@H](C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001616858753 1193549715 /nfs/dbraw/zinc/54/97/15/1193549715.db2.gz SLEUARWQWJGAPT-YJBOKZPZSA-N 1 0 319.493 3.298 20 10 DGCDRO C[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccccc1O ZINC001560074348 1189274801 /nfs/dbraw/zinc/27/48/01/1189274801.db2.gz RHVBHHBGSHNVJB-OAHLLOKOSA-N 1 0 307.397 3.488 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)N2CCCCC2)cc1F ZINC001560247817 1189299094 /nfs/dbraw/zinc/29/90/94/1189299094.db2.gz BSTNFJGZECUSCU-UHFFFAOYSA-N 1 0 307.457 3.246 20 10 DGCDRO CCC(CC)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N(C)C ZINC001560260572 1189301107 /nfs/dbraw/zinc/30/11/07/1189301107.db2.gz MAABPFJNNKPEFY-SFHVURJKSA-N 1 0 304.478 3.468 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCC[C@H](C)C1 ZINC001560265709 1189302795 /nfs/dbraw/zinc/30/27/95/1189302795.db2.gz BDNWLVFDYKMIML-GJZGRUSLSA-N 1 0 307.457 3.102 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2CCc3ccccc32)cc1 ZINC001560295452 1189307613 /nfs/dbraw/zinc/30/76/13/1189307613.db2.gz CCGFTACPWIHTOJ-AATRIKPKSA-N 1 0 321.468 3.418 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC3(C2)OCCO3)cc1F ZINC001560418539 1189325529 /nfs/dbraw/zinc/32/55/29/1189325529.db2.gz PJIILPBSWNSBKQ-OAHLLOKOSA-N 1 0 322.424 3.057 20 10 DGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001560427946 1189326915 /nfs/dbraw/zinc/32/69/15/1189326915.db2.gz VJUUSHZXWIHQIG-GOSISDBHSA-N 1 0 304.478 3.420 20 10 DGCDRO CCc1[nH]nc(Cl)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC001560627115 1189351671 /nfs/dbraw/zinc/35/16/71/1189351671.db2.gz ONDXFMVMYZYDRR-UHFFFAOYSA-N 1 0 306.841 3.324 20 10 DGCDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2O)C1 ZINC001560679237 1189359821 /nfs/dbraw/zinc/35/98/21/1189359821.db2.gz GYLQPKSCKBTJSQ-RDJZCZTQSA-N 1 0 318.461 3.217 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)c(O)c1 ZINC001560710707 1189365600 /nfs/dbraw/zinc/36/56/00/1189365600.db2.gz SHJPHMIZDYJKTK-CRPOECCBSA-N 1 0 305.418 3.112 20 10 DGCDRO O=C1C[C@@H]([NH2+]Cc2ccc(Cl)cc2O)CN1C1CCCCC1 ZINC001560742112 1189372395 /nfs/dbraw/zinc/37/23/95/1189372395.db2.gz RUYUKAJWAVSXGK-CQSZACIVSA-N 1 0 322.836 3.069 20 10 DGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC001560889808 1189401150 /nfs/dbraw/zinc/40/11/50/1189401150.db2.gz XTXQYNQVXFSYPM-UXHICEINSA-N 1 0 310.441 3.463 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001560947858 1189409535 /nfs/dbraw/zinc/40/95/35/1189409535.db2.gz JSRMRLQWLRVZFU-GDBMZVCRSA-N 1 0 311.809 3.257 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001561047306 1189427033 /nfs/dbraw/zinc/42/70/33/1189427033.db2.gz LVVJLEUMQXMKHY-GASCZTMLSA-N 1 0 320.433 3.100 20 10 DGCDRO CC[C@@H](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001571384784 1191010268 /nfs/dbraw/zinc/01/02/68/1191010268.db2.gz VXCMDNSMJCFWBH-ZBFHGGJFSA-N 1 0 320.477 3.376 20 10 DGCDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)CCO1 ZINC001621204701 1193816731 /nfs/dbraw/zinc/81/67/31/1193816731.db2.gz OGUWWZUVPIXUIU-YJBOKZPZSA-N 1 0 307.434 3.474 20 10 DGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc2c(c1)CCCO2)C(C)C ZINC001621274756 1193826884 /nfs/dbraw/zinc/82/68/84/1193826884.db2.gz OCKSGZUHUCHTGB-IBGZPJMESA-N 1 0 319.445 3.469 20 10 DGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2cc(F)c(F)cc2O)o1 ZINC001621310292 1193829670 /nfs/dbraw/zinc/82/96/70/1193829670.db2.gz LOVNKEXDUMVSTG-UHFFFAOYSA-N 1 0 324.371 3.136 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)cc(F)c1N1CCOCC1 ZINC001621382018 1193836085 /nfs/dbraw/zinc/83/60/85/1193836085.db2.gz ARBVGDKXIAOAKZ-ZQIUZPCESA-N 1 0 322.399 3.080 20 10 DGCDRO CCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCN(C)C1 ZINC001621407239 1193838689 /nfs/dbraw/zinc/83/86/89/1193838689.db2.gz RYSLBWVCRWDLSL-GHOSXJJBSA-N 1 0 301.478 3.182 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)N(C)C)cc1 ZINC001621557132 1193858857 /nfs/dbraw/zinc/85/88/57/1193858857.db2.gz AVKPPTZPSWRCMO-OTWHNJEPSA-N 1 0 301.478 3.134 20 10 DGCDRO CCOC(=O)/C=C\C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC001641730963 1194868862 /nfs/dbraw/zinc/86/88/62/1194868862.db2.gz BPPGTDUOBARNMP-GHXNOFRVSA-N 1 0 303.402 3.256 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC001643685495 1195045633 /nfs/dbraw/zinc/04/56/33/1195045633.db2.gz ZSYXFJYSHRDSTP-ZACQAIPSSA-N 1 0 302.462 3.499 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@@H](COC)C(C)C)CC2)cc1 ZINC001644993698 1195148466 /nfs/dbraw/zinc/14/84/66/1195148466.db2.gz PQNWRCFIOWIAJT-KRWDZBQOSA-N 1 0 320.477 3.126 20 10 DGCDRO CCC(CC)(CC(=O)OC)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001647041603 1195243327 /nfs/dbraw/zinc/24/33/27/1195243327.db2.gz ZBQNDOHKRLXPTN-HJWRWDBZSA-N 1 0 318.461 3.477 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1O ZINC001648053752 1195273879 /nfs/dbraw/zinc/27/38/79/1195273879.db2.gz GHWJGQBQWSVYSQ-SNVBAGLBSA-N 1 0 322.767 3.474 20 10 DGCDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1F ZINC001648054642 1195273983 /nfs/dbraw/zinc/27/39/83/1195273983.db2.gz YQSNTZYUAVZTMV-NSHDSACASA-N 1 0 303.333 3.169 20 10 DGCDRO CN(C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1ccccc1 ZINC001648706401 1195324101 /nfs/dbraw/zinc/32/41/01/1195324101.db2.gz CHAYEGUHGWCHBL-OAHLLOKOSA-N 1 0 318.848 3.308 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Oc1ccccc1F ZINC001650579508 1195363500 /nfs/dbraw/zinc/36/35/00/1195363500.db2.gz SFLWLBXHUHRTBA-CYBMUJFWSA-N 1 0 301.361 3.318 20 10 DGCDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC001650615398 1195365180 /nfs/dbraw/zinc/36/51/80/1195365180.db2.gz FPXASJKIIONBKK-QGZVFWFLSA-N 1 0 311.381 3.244 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1C ZINC001650757732 1195379543 /nfs/dbraw/zinc/37/95/43/1195379543.db2.gz ABKWKCHXJODNOY-WBVHZDCISA-N 1 0 302.462 3.499 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H](C)O ZINC001651073325 1195409694 /nfs/dbraw/zinc/40/96/94/1195409694.db2.gz GMRCJKKDFHOEDD-OXJNMPFZSA-N 1 0 324.468 3.498 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+]C/C=C/Cl)ccc1N1CCCCC1 ZINC001651651590 1195491162 /nfs/dbraw/zinc/49/11/62/1195491162.db2.gz SKMRLSDTROCNIN-QPJJXVBHSA-N 1 0 309.797 3.427 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC001651799533 1195511122 /nfs/dbraw/zinc/51/11/22/1195511122.db2.gz ACULMRQAQHTPAF-WBVHZDCISA-N 1 0 307.459 3.222 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(O)c1 ZINC001652744532 1195645469 /nfs/dbraw/zinc/64/54/69/1195645469.db2.gz CEJQMEWXOFIHMV-OAHLLOKOSA-N 1 0 305.418 3.243 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2Cc3ccccc3NC2=O)cc1Cl ZINC001652943229 1195673289 /nfs/dbraw/zinc/67/32/89/1195673289.db2.gz LFNYYCAGGGFKKY-OAHLLOKOSA-N 1 0 316.788 3.007 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2cccc3ncccc23)cc1OC ZINC001653076525 1195685960 /nfs/dbraw/zinc/68/59/60/1195685960.db2.gz ZUYTUZDOIQCXOG-UHFFFAOYSA-N 1 0 324.380 3.247 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2cnc3ccccc3c2)c1 ZINC001653080988 1195686972 /nfs/dbraw/zinc/68/69/72/1195686972.db2.gz BEUYMNBSSYCCSQ-UHFFFAOYSA-N 1 0 308.381 3.281 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)C[C@@](O)(CC)C(F)(F)F ZINC001653476045 1195726538 /nfs/dbraw/zinc/72/65/38/1195726538.db2.gz NNHMNQAFZUQPQZ-AWEZNQCLSA-N 1 0 305.340 3.308 20 10 DGCDRO CN(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccsc1 ZINC001655231762 1195894008 /nfs/dbraw/zinc/89/40/08/1195894008.db2.gz WMPDDNYELDXXQJ-KRWDZBQOSA-N 1 0 316.470 3.466 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCCCCCNC(=O)CC2)cc1 ZINC001655283855 1195899172 /nfs/dbraw/zinc/89/91/72/1195899172.db2.gz DOMRFKDVFZRGOB-UHFFFAOYSA-N 1 0 317.477 3.025 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCCCn2ccnc2)cc1F ZINC001655396874 1195911780 /nfs/dbraw/zinc/91/17/80/1195911780.db2.gz IHHABKVHEJDQDM-UHFFFAOYSA-N 1 0 318.440 3.438 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCC(C)CC1 ZINC001655454678 1195920178 /nfs/dbraw/zinc/92/01/78/1195920178.db2.gz QPALVRWSNKVXJD-OAHLLOKOSA-N 1 0 307.457 3.102 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1c(C)c2ccccc2n1C ZINC001656292623 1196028023 /nfs/dbraw/zinc/02/80/23/1196028023.db2.gz YSQFCOCPMIGSKC-CQSZACIVSA-N 1 0 315.461 3.129 20 10 DGCDRO c1ccc(C[C@H]2C[C@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001656529910 1196047205 /nfs/dbraw/zinc/04/72/05/1196047205.db2.gz PTDWOJQFINZBCY-PZJWPPBQSA-N 1 0 322.452 3.244 20 10 DGCDRO c1ccc(C[C@@H]2C[C@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001656529911 1196047560 /nfs/dbraw/zinc/04/75/60/1196047560.db2.gz PTDWOJQFINZBCY-TZIWHRDSSA-N 1 0 322.452 3.244 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCOCC23CCCC3)c1O ZINC001656545399 1196048339 /nfs/dbraw/zinc/04/83/39/1196048339.db2.gz ROBZEVIFGWNRKG-INIZCTEOSA-N 1 0 321.392 3.173 20 10 DGCDRO c1ccc2c(c1)C[C@H](C[NH2+]Cc1ccc3c(c1)CCCO3)CO2 ZINC001656673029 1196060627 /nfs/dbraw/zinc/06/06/27/1196060627.db2.gz RNXAGTIGWFJVKG-MRXNPFEDSA-N 1 0 309.409 3.353 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCN(C)Cc2ccccc2)cc1 ZINC001656947135 1196085666 /nfs/dbraw/zinc/08/56/66/1196085666.db2.gz MKRVGRSWLYTEQX-YFHOEESVSA-N 1 0 323.484 3.487 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC001656954970 1196086182 /nfs/dbraw/zinc/08/61/82/1196086182.db2.gz COTGMMJUAPXWEW-UHFFFAOYSA-N 1 0 316.470 3.491 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2Cc3ccccc3O2)cc1F ZINC001657120792 1196107701 /nfs/dbraw/zinc/10/77/01/1196107701.db2.gz RHXDMQZGVZWVDH-AWEZNQCLSA-N 1 0 318.367 3.124 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC001657173000 1196114585 /nfs/dbraw/zinc/11/45/85/1196114585.db2.gz GVOMXOHJGBBFAY-UHFFFAOYSA-N 1 0 323.484 3.379 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)ccc1OC ZINC001657371825 1196134809 /nfs/dbraw/zinc/13/48/09/1196134809.db2.gz FWPYMGFFCJICOV-RTBURBONSA-N 1 0 321.461 3.263 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@]2(C)CCCC[C@H]2O)ccc1OC ZINC001657371822 1196134939 /nfs/dbraw/zinc/13/49/39/1196134939.db2.gz FWPYMGFFCJICOV-MOPGFXCFSA-N 1 0 321.461 3.263 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](CCO)CCc2ccccc2)cc1 ZINC001657471201 1196146167 /nfs/dbraw/zinc/14/61/67/1196146167.db2.gz XUKCPVGNLHTTEA-TWGQIWQCSA-N 1 0 324.468 3.303 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C(C)(C)C(=O)NCC)cc1 ZINC001657484595 1196147728 /nfs/dbraw/zinc/14/77/28/1196147728.db2.gz WRSSGEVNXVTXMD-UHFFFAOYSA-N 1 0 319.493 3.317 20 10 DGCDRO COC(=O)C1(C[NH2+]Cc2c(C)c3ccccc3n2C)CCCC1 ZINC001657538598 1196153201 /nfs/dbraw/zinc/15/32/01/1196153201.db2.gz BHOYLATYHBPLCE-UHFFFAOYSA-N 1 0 314.429 3.310 20 10 DGCDRO Clc1ccc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)nc1 ZINC001657548412 1196154184 /nfs/dbraw/zinc/15/41/84/1196154184.db2.gz MFKBSURHYCWEED-UHFFFAOYSA-N 1 0 318.804 3.229 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)cc1C ZINC001657555010 1196154835 /nfs/dbraw/zinc/15/48/35/1196154835.db2.gz ZGUQDWJGYIRKQX-INIZCTEOSA-N 1 0 313.397 3.323 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1 ZINC001657812419 1196180772 /nfs/dbraw/zinc/18/07/72/1196180772.db2.gz AKVXXPGTXMHBQF-BSWVEEBUSA-N 1 0 300.446 3.046 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cnc3c(F)cccc3c2)c(O)c1 ZINC001657896588 1196191526 /nfs/dbraw/zinc/19/15/26/1196191526.db2.gz AYGHJSXTLXONFM-UHFFFAOYSA-N 1 0 312.344 3.378 20 10 DGCDRO O=C(C[NH2+]Cc1ccc2ccccc2c1O)Nc1cccc(F)c1 ZINC001658032400 1196204338 /nfs/dbraw/zinc/20/43/38/1196204338.db2.gz FETGQYFGUQXCEE-UHFFFAOYSA-N 1 0 324.355 3.413 20 10 DGCDRO COc1ccc(Cl)cc1[C@H](O)C[NH2+]Cc1ccc(C)cc1O ZINC001658104944 1196212448 /nfs/dbraw/zinc/21/24/48/1196212448.db2.gz MFIDMRPPDVEUSG-MRXNPFEDSA-N 1 0 321.804 3.186 20 10 DGCDRO COc1cc(CC[NH2+]Cc2c(C)c3ccccc3n2C)ccn1 ZINC001658404889 1196251344 /nfs/dbraw/zinc/25/13/44/1196251344.db2.gz QSMIBENDGAZCDP-UHFFFAOYSA-N 1 0 309.413 3.223 20 10 DGCDRO CCCSC[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001658537445 1196271318 /nfs/dbraw/zinc/27/13/18/1196271318.db2.gz FSMAYZJOJGZLPT-HUUCEWRRSA-N 1 0 308.491 3.395 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC001658546687 1196272650 /nfs/dbraw/zinc/27/26/50/1196272650.db2.gz UFBYMCJPBGAHSW-UHFFFAOYSA-N 1 0 317.820 3.331 20 10 DGCDRO CCOC(=O)[C@]12CCC[C@@H]1C[C@@H]([NH2+]Cc1cc(C)ccc1O)C2 ZINC001658588342 1196276452 /nfs/dbraw/zinc/27/64/52/1196276452.db2.gz ZHIHIVOVHGZGND-MDZRGWNJSA-N 1 0 317.429 3.302 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@]2(OC)CCSC2)cc1C ZINC001658644083 1196284088 /nfs/dbraw/zinc/28/40/88/1196284088.db2.gz KFHGQZCXXFBPCB-QGZVFWFLSA-N 1 0 309.475 3.396 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCc3cccc(F)c3C2)c(O)c1 ZINC001658896063 1196316098 /nfs/dbraw/zinc/31/60/98/1196316098.db2.gz YUNKWWWUBGDXDW-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2ccc3c(n2)CCCC3)c(O)c1 ZINC001659022534 1196333852 /nfs/dbraw/zinc/33/38/52/1196333852.db2.gz UCDLGVNYGIFCKV-UHFFFAOYSA-N 1 0 312.413 3.273 20 10 DGCDRO C[C@H](c1ccccc1)[N@H+](CCO)Cc1cc(F)c(F)cc1[O-] ZINC001659092377 1196343081 /nfs/dbraw/zinc/34/30/81/1196343081.db2.gz UFXVITJCZPLHLK-GFCCVEGCSA-N 1 0 307.340 3.226 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2ccnc(N(C)C)c2C1 ZINC001659110668 1196346570 /nfs/dbraw/zinc/34/65/70/1196346570.db2.gz DVZYYMMXRYIJFO-UHFFFAOYSA-N 1 0 324.472 3.080 20 10 DGCDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1c([O-])ccc(Cl)c1F ZINC001659209869 1196358840 /nfs/dbraw/zinc/35/88/40/1196358840.db2.gz HAJCXRVZCQSUBR-LLVKDONJSA-N 1 0 300.805 3.101 20 10 DGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(C(C)C)ccc1O ZINC001659752527 1196411158 /nfs/dbraw/zinc/41/11/58/1196411158.db2.gz QMQTUTZHAYIMBK-LVGQOLGVSA-N 1 0 301.430 3.371 20 10 DGCDRO Oc1cccc2c1CN(Cc1c(O)cccc1Br)C2 ZINC001659884673 1196425470 /nfs/dbraw/zinc/42/54/70/1196425470.db2.gz NHCYRQYRTCXHDW-UHFFFAOYSA-N 1 0 320.186 3.376 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1 ZINC001660327344 1196471747 /nfs/dbraw/zinc/47/17/47/1196471747.db2.gz MMRPFLHOWGFQAL-LJQANCHMSA-N 1 0 315.413 3.219 20 10 DGCDRO CCc1cccc(C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)c1O ZINC001660479713 1196488883 /nfs/dbraw/zinc/48/88/83/1196488883.db2.gz YZFCYJQZKGIKKM-UHFFFAOYSA-N 1 0 322.452 3.272 20 10 DGCDRO CCc1cccc(C[NH+]2CCN(c3cccc(F)c3)CC2)c1O ZINC001660512698 1196492479 /nfs/dbraw/zinc/49/24/79/1196492479.db2.gz BQJFBYOHSLTGEF-UHFFFAOYSA-N 1 0 314.404 3.416 20 10 DGCDRO Oc1cccc2c1CN(Cc1cnn(Cc3ccc(F)cc3)c1)C2 ZINC001660549545 1196496037 /nfs/dbraw/zinc/49/60/37/1196496037.db2.gz BKBGZIZNYRIRGG-UHFFFAOYSA-N 1 0 323.371 3.292 20 10 DGCDRO Cc1ccc(OCC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC001660838944 1196532553 /nfs/dbraw/zinc/53/25/53/1196532553.db2.gz ZARQZYDKBVWATM-UHFFFAOYSA-N 1 0 302.393 3.369 20 10 DGCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001661403067 1196602020 /nfs/dbraw/zinc/60/20/20/1196602020.db2.gz WZIDOSCCSVJELY-INIZCTEOSA-N 1 0 314.408 3.157 20 10 DGCDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001661847942 1196650696 /nfs/dbraw/zinc/65/06/96/1196650696.db2.gz FCSZCKIAYBWVRG-JXFKEZNVSA-N 1 0 313.489 3.249 20 10 DGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)OC ZINC001662495340 1196725212 /nfs/dbraw/zinc/72/52/12/1196725212.db2.gz HGGUHYRGUYBEDK-BDJLRTHQSA-N 1 0 300.393 3.182 20 10 DGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C12CCC2 ZINC001663821120 1196948281 /nfs/dbraw/zinc/94/82/81/1196948281.db2.gz CVSBZEUZMLHIKM-MSOLQXFVSA-N 1 0 319.445 3.489 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1O)[C@H](O)C(F)(F)F ZINC001664693765 1197037335 /nfs/dbraw/zinc/03/73/35/1197037335.db2.gz RFQZYMXATDLGGT-RYUDHWBXSA-N 1 0 311.731 3.083 20 10 DGCDRO COC(=O)c1c(C[NH2+]CC2CC(C)C2)c2cc(F)ccc2n1C ZINC001665308131 1197121031 /nfs/dbraw/zinc/12/10/31/1197121031.db2.gz VKROAJUEIDZNAE-UHFFFAOYSA-N 1 0 318.392 3.240 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](OC)C2CCCCC2)c1O ZINC001665345713 1197126324 /nfs/dbraw/zinc/12/63/24/1197126324.db2.gz QPSAYWPTPPHLSQ-KRWDZBQOSA-N 1 0 307.434 3.394 20 10 DGCDRO OCC1(C(F)(F)F)CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001665805786 1197199816 /nfs/dbraw/zinc/19/98/16/1197199816.db2.gz VURIIJHOPFDZBY-UHFFFAOYSA-N 1 0 323.742 3.182 20 10 DGCDRO CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000390224101 1197712617 /nfs/dbraw/zinc/71/26/17/1197712617.db2.gz IQTISWDGVUYYJX-SFHVURJKSA-N 1 0 313.445 3.272 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2(C)CCC2)cc1C ZINC001674220967 1197747921 /nfs/dbraw/zinc/74/79/21/1197747921.db2.gz TVJNVALZOKQPNH-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@H](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001754265529 1200163331 /nfs/dbraw/zinc/16/33/31/1200163331.db2.gz MDHVMGKYOODBBU-ZFWWWQNUSA-N 1 0 306.450 3.034 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000194224656 1201353904 /nfs/dbraw/zinc/35/39/04/1201353904.db2.gz DHEFLIUTTHWKIM-UHFFFAOYSA-N 1 0 306.413 3.433 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)CC(C)(C)C)cc1C ZINC001699233133 1201765606 /nfs/dbraw/zinc/76/56/06/1201765606.db2.gz PDLLVWXGKIXIDL-VOTSOKGWSA-N 1 0 318.461 3.202 20 10 DGCDRO CCCC(=O)NC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001752846559 1201971640 /nfs/dbraw/zinc/97/16/40/1201971640.db2.gz FKYVMWRBSLHIFV-UHFFFAOYSA-N 1 0 318.461 3.321 20 10 DGCDRO COC[C@H](C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)C(C)C ZINC001167107620 1081705276 /nfs/dbraw/zinc/70/52/76/1081705276.db2.gz FKIRRCALEZYLLT-KRWDZBQOSA-N 1 0 320.477 3.126 20 10 DGCDRO C[C@H]1CCCCN1c1cccc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001169993338 1081806531 /nfs/dbraw/zinc/80/65/31/1081806531.db2.gz UJPXMXWZUDWTCO-ZDUSSCGKSA-N 1 0 313.401 3.484 20 10 DGCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2O)O1 ZINC000691464837 1081850168 /nfs/dbraw/zinc/85/01/68/1081850168.db2.gz GPMVQYGLVHUGOT-GWCFXTLKSA-N 1 0 314.223 3.202 20 10 DGCDRO CC(C)(CCCO)C[NH2+]Cc1ccc(Br)cc1O ZINC000691487409 1081923213 /nfs/dbraw/zinc/92/32/13/1081923213.db2.gz FLOZMEDGCDBEIK-UHFFFAOYSA-N 1 0 316.239 3.043 20 10 DGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000691488042 1081923398 /nfs/dbraw/zinc/92/33/98/1081923398.db2.gz KJBCAAHHWIRDAZ-GHMZBOCLSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1nc([C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)no1 ZINC001140337777 1082143199 /nfs/dbraw/zinc/14/31/99/1082143199.db2.gz DQBOZIDKEJZKMC-NSHDSACASA-N 1 0 307.781 3.117 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)=C2CCCC2)cc1C ZINC001125523429 1082211724 /nfs/dbraw/zinc/21/17/24/1082211724.db2.gz MNCIWKJXXWXSFD-UHFFFAOYSA-N 1 0 316.445 3.100 20 10 DGCDRO CCCO[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707142182 1082213673 /nfs/dbraw/zinc/21/36/73/1082213673.db2.gz IFUNFVDOOGOCBE-LLVKDONJSA-N 1 0 314.223 3.156 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC2CCCC2)cc1C ZINC001266918693 1082338704 /nfs/dbraw/zinc/33/87/04/1082338704.db2.gz DLDPUJSDODRCCW-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC2(C)C)cc1C ZINC001266963876 1082382279 /nfs/dbraw/zinc/38/22/79/1082382279.db2.gz IQLKNRNJYOWFPH-GOEBONIOSA-N 1 0 318.461 3.034 20 10 DGCDRO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)cc1O ZINC001204581669 1082458597 /nfs/dbraw/zinc/45/85/97/1082458597.db2.gz VHFZSMIHGDCGBS-OAQYLSRUSA-N 1 0 323.845 3.415 20 10 DGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001170503324 1082592891 /nfs/dbraw/zinc/59/28/91/1082592891.db2.gz KHCFRTJZVPRWTF-SJORKVTESA-N 1 0 316.445 3.108 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC2CC2)cc1C ZINC001133482045 1083137906 /nfs/dbraw/zinc/13/79/06/1083137906.db2.gz KGYKLJYVGGYEIS-CABCVRRESA-N 1 0 318.461 3.177 20 10 DGCDRO CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133508834 1083140329 /nfs/dbraw/zinc/14/03/29/1083140329.db2.gz PQDLPONMYCZPIO-LSDHHAIUSA-N 1 0 306.450 3.177 20 10 DGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925128 1083186662 /nfs/dbraw/zinc/18/66/62/1083186662.db2.gz OIEPJTJBKJGXRC-MRXNPFEDSA-N 1 0 309.885 3.322 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)C)cc1C ZINC001133764576 1083190957 /nfs/dbraw/zinc/19/09/57/1083190957.db2.gz JBYJKMMXPQVDFZ-LSDHHAIUSA-N 1 0 306.450 3.033 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC001182128266 1083625115 /nfs/dbraw/zinc/62/51/15/1083625115.db2.gz SQSJAYAVJSQCPU-MSOLQXFVSA-N 1 0 317.429 3.243 20 10 DGCDRO CCCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267951460 1083635623 /nfs/dbraw/zinc/63/56/23/1083635623.db2.gz YZHWOMBOXTWZRX-QGZVFWFLSA-N 1 0 318.461 3.274 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC2(C)CC2)cc1C ZINC001267995217 1083708930 /nfs/dbraw/zinc/70/89/30/1083708930.db2.gz FLWCBTYBXHQTFH-CQSZACIVSA-N 1 0 318.461 3.036 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC001183044338 1083861637 /nfs/dbraw/zinc/86/16/37/1083861637.db2.gz BTPYTGMAAFGMKB-UHFFFAOYSA-N 1 0 304.478 3.482 20 10 DGCDRO Cc1cc(C[N@@H+]2CCCO[C@@H](C)C2)c(O)cc1Br ZINC001250120653 1083993832 /nfs/dbraw/zinc/99/38/32/1083993832.db2.gz LPQBESIHNMIZGQ-NSHDSACASA-N 1 0 314.223 3.074 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC001183822122 1084045632 /nfs/dbraw/zinc/04/56/32/1084045632.db2.gz CVKQFJAVYXBZEP-SFHVURJKSA-N 1 0 302.462 3.500 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C=C2CCC2)cc1C ZINC001268059765 1084068146 /nfs/dbraw/zinc/06/81/46/1084068146.db2.gz CQAKVNVGLFUOQC-OAHLLOKOSA-N 1 0 316.445 3.050 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@H]1O ZINC001183991400 1084084502 /nfs/dbraw/zinc/08/45/02/1084084502.db2.gz HJAUSXJRJOGGFB-IIBYNOLFSA-N 1 0 322.452 3.062 20 10 DGCDRO COC(=O)C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)(C)C ZINC001184011644 1084089550 /nfs/dbraw/zinc/08/95/50/1084089550.db2.gz FVOUYAFNMFYNGI-QWPQOLDESA-N 1 0 318.461 3.333 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1O ZINC001203585541 1084156003 /nfs/dbraw/zinc/15/60/03/1084156003.db2.gz OWHYYUYVLBZVGY-ZDUSSCGKSA-N 1 0 307.287 3.125 20 10 DGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(OC)cc3O)C2)cc1 ZINC000092783652 1084727515 /nfs/dbraw/zinc/72/75/15/1084727515.db2.gz UYWZYDAGYJEYHQ-OAHLLOKOSA-N 1 0 313.397 3.399 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2CCCC2)cc1C ZINC001482074016 1084826447 /nfs/dbraw/zinc/82/64/47/1084826447.db2.gz VZOTZFHFCYINSF-AWEZNQCLSA-N 1 0 318.461 3.036 20 10 DGCDRO CCC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268702042 1084960712 /nfs/dbraw/zinc/96/07/12/1084960712.db2.gz QWNGNMWNKFAKAD-AWEZNQCLSA-N 1 0 306.450 3.034 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC001658277113 1126261936 /nfs/dbraw/zinc/26/19/36/1126261936.db2.gz KDPKZQNXNAWTLL-IBGZPJMESA-N 1 0 313.441 3.265 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)C(C)(C)C)C(C)C)cc1C ZINC001482566771 1086928512 /nfs/dbraw/zinc/92/85/12/1086928512.db2.gz UNKRQSUAGJWVNO-MRXNPFEDSA-N 1 0 320.477 3.280 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)CCOC(C)(C)C)c1O ZINC000689895708 1087538811 /nfs/dbraw/zinc/53/88/11/1087538811.db2.gz NHOOQHMEAWXVOT-UHFFFAOYSA-N 1 0 301.814 3.301 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001649010526 1087575170 /nfs/dbraw/zinc/57/51/70/1087575170.db2.gz XSPLUSKRPBVDHE-ONEGZZNKSA-N 1 0 308.425 3.491 20 10 DGCDRO O=C1c2ccccc2C(=O)c2c(NC=C3CC[NH2+]CC3)cccc21 ZINC001159438274 1088349697 /nfs/dbraw/zinc/34/96/97/1088349697.db2.gz JSIBRYPKOSWZBQ-UHFFFAOYSA-N 1 0 318.376 3.141 20 10 DGCDRO Nc1ccc(OC(=O)c2ccc(NC3=C[NH2+]CCC3)cc2)cc1 ZINC001159766414 1088477119 /nfs/dbraw/zinc/47/71/19/1088477119.db2.gz LLNUINLSTAITGJ-UHFFFAOYSA-N 1 0 309.369 3.125 20 10 DGCDRO [NH3+]Cc1cc(NCc2cc(Cl)c3cccnc3c2O)ccn1 ZINC001168523273 1088556907 /nfs/dbraw/zinc/55/69/07/1088556907.db2.gz MVQCJDXVUDXHFJ-UHFFFAOYSA-N 1 0 314.776 3.060 20 10 DGCDRO COc1ccc(C(=O)c2ccccc2NC2=CCC[NH2+]C2)cc1 ZINC001159933386 1088559622 /nfs/dbraw/zinc/55/96/22/1088559622.db2.gz YVYJFDVGXPLZHZ-UHFFFAOYSA-N 1 0 308.381 3.215 20 10 DGCDRO COc1cc2c[nH+]c(NCc3ccc(N)cc3)cc2cc1OC ZINC001162788116 1089956375 /nfs/dbraw/zinc/95/63/75/1089956375.db2.gz ZIXRFZHIYACREX-UHFFFAOYSA-N 1 0 309.369 3.446 20 10 DGCDRO Cc1ccc(NCc2cc(Cl)c3cccnc3c2O)[nH+]c1N ZINC001168527144 1090342439 /nfs/dbraw/zinc/34/24/39/1090342439.db2.gz DHOMDQMOHPENPW-UHFFFAOYSA-N 1 0 314.776 3.492 20 10 DGCDRO C=C/C(C)=C\CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001164116743 1090347621 /nfs/dbraw/zinc/34/76/21/1090347621.db2.gz QKFOUZFOPLKGSL-CHHVJCJISA-N 1 0 316.445 3.122 20 10 DGCDRO [NH3+][C@@H]1CCN(c2ccc(OCc3ccccc3)c(F)c2F)C1 ZINC001164282398 1090393573 /nfs/dbraw/zinc/39/35/73/1090393573.db2.gz XZJNSALEHGTKJG-CYBMUJFWSA-N 1 0 304.340 3.081 20 10 DGCDRO N[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CCC1(F)F ZINC001206682590 1090443764 /nfs/dbraw/zinc/44/37/64/1090443764.db2.gz BXNJRNWWYMASRI-MRXNPFEDSA-N 1 0 318.367 3.228 20 10 DGCDRO CCC1(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001485919810 1090727200 /nfs/dbraw/zinc/72/72/00/1090727200.db2.gz MKCFWASLEXNMAD-OAHLLOKOSA-N 1 0 318.461 3.130 20 10 DGCDRO CCOc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001203561403 1090756971 /nfs/dbraw/zinc/75/69/71/1090756971.db2.gz VGHJHYXENKPGRR-UHFFFAOYSA-N 1 0 312.413 3.113 20 10 DGCDRO COc1ccc(CC[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC001203596389 1090764744 /nfs/dbraw/zinc/76/47/44/1090764744.db2.gz AMAFSWVRZYLXRF-UHFFFAOYSA-N 1 0 301.386 3.084 20 10 DGCDRO COc1cccc(C[NH+]2CCC3(CCOC3(C)C)CC2)c1O ZINC001203601821 1090765356 /nfs/dbraw/zinc/76/53/56/1090765356.db2.gz MHJZPPDONOGDPL-UHFFFAOYSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1ccc(CN2CC[NH+](CC3CCCCC3)CC2)c(O)c1 ZINC001203620818 1090768482 /nfs/dbraw/zinc/76/84/82/1090768482.db2.gz JDTYBQGKTMLKGI-UHFFFAOYSA-N 1 0 318.461 3.099 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c(O)c1 ZINC001203628775 1090769378 /nfs/dbraw/zinc/76/93/78/1090769378.db2.gz FHWRTADXOTZXNG-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO CCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203656309 1090774494 /nfs/dbraw/zinc/77/44/94/1090774494.db2.gz MMQJRAQFXMHNIO-UHFFFAOYSA-N 1 0 322.836 3.023 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664463 1090776070 /nfs/dbraw/zinc/77/60/70/1090776070.db2.gz FYPCRBSLVRUYAB-MRXNPFEDSA-N 1 0 311.809 3.211 20 10 DGCDRO Cc1c[nH+]ccc1N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203665643 1090776236 /nfs/dbraw/zinc/77/62/36/1090776236.db2.gz QXOOHVOJOHGIED-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO Fc1cc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)ccc1N1CCOCC1 ZINC001203672938 1090778080 /nfs/dbraw/zinc/77/80/80/1090778080.db2.gz YJMHPOOOMIYTSS-SJORKVTESA-N 1 0 318.436 3.188 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1 ZINC001203681086 1090779012 /nfs/dbraw/zinc/77/90/12/1090779012.db2.gz OPDGZIXNYBSJGX-OAHLLOKOSA-N 1 0 311.381 3.106 20 10 DGCDRO COc1ccc(O)c(C[N@H+](CC(=O)c2ccccc2)C(C)C)c1 ZINC001203680206 1090779091 /nfs/dbraw/zinc/77/90/91/1090779091.db2.gz LBZCGBGXAHXLTH-UHFFFAOYSA-N 1 0 313.397 3.494 20 10 DGCDRO Oc1ccc(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)cc1O ZINC001203879651 1090826641 /nfs/dbraw/zinc/82/66/41/1090826641.db2.gz WMRQEUFURAETCA-UHFFFAOYSA-N 1 0 317.429 3.269 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC(F)(F)CO3)CC2)cc1 ZINC001203930642 1090841997 /nfs/dbraw/zinc/84/19/97/1090841997.db2.gz BJTNGDDBMDCUBH-UHFFFAOYSA-N 1 0 310.388 3.143 20 10 DGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931216 1090843306 /nfs/dbraw/zinc/84/33/06/1090843306.db2.gz DFNDELZILJVCBK-MJGOQNOKSA-N 1 0 302.462 3.391 20 10 DGCDRO CCOC(=O)C1(CC)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203937604 1090844326 /nfs/dbraw/zinc/84/43/26/1090844326.db2.gz ZMTXBNFHINGDJZ-UHFFFAOYSA-N 1 0 318.461 3.308 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)no1 ZINC001203937616 1090844659 /nfs/dbraw/zinc/84/46/59/1090844659.db2.gz HJJZNYYKWXKBRG-UHFFFAOYSA-N 1 0 314.433 3.078 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)cc1 ZINC001203946504 1090847765 /nfs/dbraw/zinc/84/77/65/1090847765.db2.gz UNNQZCIAYVZGDX-FUHWJXTLSA-N 1 0 300.446 3.334 20 10 DGCDRO COC(=O)C1([N@H+](C)Cc2cc(C)cc(OC)c2O)CCCCC1 ZINC001204230043 1090929315 /nfs/dbraw/zinc/92/93/15/1090929315.db2.gz WLORBADWRKJZCI-UHFFFAOYSA-N 1 0 321.417 3.017 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCC[C@H]1O ZINC001204232627 1090930741 /nfs/dbraw/zinc/93/07/41/1090930741.db2.gz GTTTWFXPWBXVOQ-MGPUTAFESA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCC2OCCO2)c2ccccc21 ZINC001204239739 1090931830 /nfs/dbraw/zinc/93/18/30/1090931830.db2.gz DSWOONRKFFCSCF-UHFFFAOYSA-N 1 0 314.429 3.101 20 10 DGCDRO Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c(O)c1 ZINC001204274679 1090937990 /nfs/dbraw/zinc/93/79/90/1090937990.db2.gz FPJFACKLYXILRK-CQSZACIVSA-N 1 0 321.323 3.029 20 10 DGCDRO Oc1ccc(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)c(O)c1 ZINC001204275519 1090938301 /nfs/dbraw/zinc/93/83/01/1090938301.db2.gz UVMPTSCBOSHAEP-UHFFFAOYSA-N 1 0 317.429 3.269 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@]1(C)O ZINC001204325622 1090949397 /nfs/dbraw/zinc/94/93/97/1090949397.db2.gz RLSCPFXBBZAZAR-QFBILLFUSA-N 1 0 302.462 3.270 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCC[C@]1(C)O ZINC001204324369 1090949683 /nfs/dbraw/zinc/94/96/83/1090949683.db2.gz KZRCEHWVHVUUNT-APWZRJJASA-N 1 0 302.462 3.270 20 10 DGCDRO C[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204325089 1090949791 /nfs/dbraw/zinc/94/97/91/1090949791.db2.gz QRPPCLCLUPPINI-IBGZPJMESA-N 1 0 302.462 3.271 20 10 DGCDRO CCOC(=O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327668 1090950116 /nfs/dbraw/zinc/95/01/16/1090950116.db2.gz DTKSERBNYVOBGA-UHFFFAOYSA-N 1 0 316.445 3.062 20 10 DGCDRO Oc1ccc(F)c(F)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001276472762 1090999137 /nfs/dbraw/zinc/99/91/37/1090999137.db2.gz QYEBMWHLWCWGJB-HOTGVXAUSA-N 1 0 322.399 3.262 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC001204563452 1091000386 /nfs/dbraw/zinc/00/03/86/1091000386.db2.gz COQMKDRMQJZSCE-UHFFFAOYSA-N 1 0 323.849 3.214 20 10 DGCDRO C[C@@]1([NH3+])CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001204801904 1091039048 /nfs/dbraw/zinc/03/90/48/1091039048.db2.gz WGVRIHTVOWDHRH-GOSISDBHSA-N 1 0 300.377 3.121 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC001205101133 1091102112 /nfs/dbraw/zinc/10/21/12/1091102112.db2.gz OFRACHJROCJJPA-RJCMGOLDSA-N 1 0 316.489 3.495 20 10 DGCDRO O[C@]1(CF)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138215690 1091118913 /nfs/dbraw/zinc/11/89/13/1091118913.db2.gz PFQCURVYMLCVPF-LJQANCHMSA-N 1 0 320.452 3.363 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CC([NH+]2CCCCC2)C1 ZINC001138220402 1091119603 /nfs/dbraw/zinc/11/96/03/1091119603.db2.gz BAIAFAWPNMRRRP-UHFFFAOYSA-N 1 0 313.489 3.347 20 10 DGCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138257923 1091125910 /nfs/dbraw/zinc/12/59/10/1091125910.db2.gz DASLLRLVPKBUJL-OAHLLOKOSA-N 1 0 314.429 3.262 20 10 DGCDRO Cc1c(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c2ccccc2n1C ZINC001138255734 1091126037 /nfs/dbraw/zinc/12/60/37/1091126037.db2.gz QRZDSRZPWAEYNN-UHFFFAOYSA-N 1 0 323.484 3.404 20 10 DGCDRO C[N@H+](Cc1ccccn1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337636 1091145547 /nfs/dbraw/zinc/14/55/47/1091145547.db2.gz CFLVYBPSEQTJER-UHFFFAOYSA-N 1 0 323.440 3.118 20 10 DGCDRO Oc1c(C[N@H+](CC2CC2)C2CC2)cc2c3c1CCCN3CCC2 ZINC001138343165 1091147323 /nfs/dbraw/zinc/14/73/23/1091147323.db2.gz YXXGONBRAUQXTO-UHFFFAOYSA-N 1 0 312.457 3.465 20 10 DGCDRO CN1CCCc2cc(CN3CCC([N@H+](C)C4CC4)CC3)ccc21 ZINC001138356694 1091149758 /nfs/dbraw/zinc/14/97/58/1091149758.db2.gz VLYNEAUAMLTKLZ-UHFFFAOYSA-N 1 0 313.489 3.128 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c(OC)c1 ZINC001138386723 1091161168 /nfs/dbraw/zinc/16/11/68/1091161168.db2.gz UOAOWYTYSKTVFB-INIZCTEOSA-N 1 0 320.477 3.136 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(O)(CC)CC2)c(OC)c1 ZINC001138388965 1091162805 /nfs/dbraw/zinc/16/28/05/1091162805.db2.gz CSSADGPVBRAVHL-UHFFFAOYSA-N 1 0 320.477 3.278 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@H]2C[NH+](C)C)c(OC)c1 ZINC001138389247 1091163686 /nfs/dbraw/zinc/16/36/86/1091163686.db2.gz HGMJHJUEYDNWHQ-SFHVURJKSA-N 1 0 319.493 3.067 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC3(CSC3)C2)c(OC)c1 ZINC001138391638 1091165759 /nfs/dbraw/zinc/16/57/59/1091165759.db2.gz HLNHQZJCRIKTHU-UHFFFAOYSA-N 1 0 306.475 3.090 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@H]2OC)cc1C ZINC001205298572 1091170985 /nfs/dbraw/zinc/17/09/85/1091170985.db2.gz GLTQKQOBTMZWFL-NJAFHUGGSA-N 1 0 307.434 3.066 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC[C@](C)(O)c2ccccc2)c(O)c1 ZINC001205491675 1091234672 /nfs/dbraw/zinc/23/46/72/1091234672.db2.gz BMEAKLKPEURWHY-IBGZPJMESA-N 1 0 315.413 3.097 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCc3ccccc3OC2)c1O ZINC001205517142 1091239750 /nfs/dbraw/zinc/23/97/50/1091239750.db2.gz IAANSMCVFXWCCU-INIZCTEOSA-N 1 0 313.397 3.193 20 10 DGCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001205853333 1091380206 /nfs/dbraw/zinc/38/02/06/1091380206.db2.gz IAJDBOPJTLHIHW-DZGCQCFKSA-N 1 0 316.445 3.136 20 10 DGCDRO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001205916171 1091411158 /nfs/dbraw/zinc/41/11/58/1091411158.db2.gz SGYMDEUOKFJRHH-NXEZZACHSA-N 1 0 303.233 3.258 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1(CO)CCC1 ZINC001206069472 1091477727 /nfs/dbraw/zinc/47/77/27/1091477727.db2.gz JMSCDROUMXWNOF-SFHVURJKSA-N 1 0 303.446 3.288 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c(C)n1-c1ccccc1 ZINC001206164218 1091516741 /nfs/dbraw/zinc/51/67/41/1091516741.db2.gz JPTVRVOZRUVHIA-OALUTQOASA-N 1 0 315.436 3.355 20 10 DGCDRO Cc1c(CN2CCCC[C@@](F)(C[NH3+])C2)c2ccccc2n1C ZINC001206344639 1091586682 /nfs/dbraw/zinc/58/66/82/1091586682.db2.gz VKWRDUJFRVFPEK-GOSISDBHSA-N 1 0 303.425 3.140 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](COCC3CC3)C2)ccc1N(C)C ZINC001139674170 1091640015 /nfs/dbraw/zinc/64/00/15/1091640015.db2.gz SMRXSFOUAYSQKK-SFHVURJKSA-N 1 0 302.462 3.310 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(=O)n(C)c2ccccc12 ZINC001139762202 1091665611 /nfs/dbraw/zinc/66/56/11/1091665611.db2.gz XYGMTZHCOBKMFN-UHFFFAOYSA-N 1 0 322.408 3.266 20 10 DGCDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140059194 1091754927 /nfs/dbraw/zinc/75/49/27/1091754927.db2.gz YDSMLNHXZVOPCY-CQSZACIVSA-N 1 0 309.381 3.228 20 10 DGCDRO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060050 1091755049 /nfs/dbraw/zinc/75/50/49/1091755049.db2.gz IPHBHABCMHZVOD-LBPRGKRZSA-N 1 0 309.381 3.085 20 10 DGCDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179553 1091792164 /nfs/dbraw/zinc/79/21/64/1091792164.db2.gz FKGAEABTVXRJNE-INIZCTEOSA-N 1 0 318.461 3.089 20 10 DGCDRO CCOC(=O)N1CCC([N@H+](C)Cc2c(C)ccc(C)c2O)CC1 ZINC001140182194 1091793413 /nfs/dbraw/zinc/79/34/13/1091793413.db2.gz KAWPOYIBYDUFPR-UHFFFAOYSA-N 1 0 320.433 3.062 20 10 DGCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184979 1091794988 /nfs/dbraw/zinc/79/49/88/1091794988.db2.gz MWBOTGBUDWMPSW-HNNXBMFYSA-N 1 0 305.418 3.174 20 10 DGCDRO CCc1noc(C2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)n1 ZINC001140184258 1091795325 /nfs/dbraw/zinc/79/53/25/1091795325.db2.gz PDZBCEJQBPPHEB-UHFFFAOYSA-N 1 0 315.417 3.334 20 10 DGCDRO C[N@H+](Cc1ccc(Br)cc1N)Cc1ccccc1O ZINC001140224834 1091804250 /nfs/dbraw/zinc/80/42/50/1091804250.db2.gz FEPGVYCODHFKCC-UHFFFAOYSA-N 1 0 321.218 3.369 20 10 DGCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342449 1091834973 /nfs/dbraw/zinc/83/49/73/1091834973.db2.gz JIPWHCUKHHSBLN-LBPRGKRZSA-N 1 0 311.809 3.211 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001140342368 1091835182 /nfs/dbraw/zinc/83/51/82/1091835182.db2.gz GQEONQUNWLRXRI-UHFFFAOYSA-N 1 0 317.820 3.153 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001140461645 1091874847 /nfs/dbraw/zinc/87/48/47/1091874847.db2.gz OQUJHKLMLJPENI-ZDUSSCGKSA-N 1 0 323.742 3.325 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140463112 1091876029 /nfs/dbraw/zinc/87/60/29/1091876029.db2.gz SRGSGSKSVOUUMR-GFCCVEGCSA-N 1 0 311.809 3.211 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001140464897 1091876466 /nfs/dbraw/zinc/87/64/66/1091876466.db2.gz FQJCQRYBOQZLDK-OAHLLOKOSA-N 1 0 304.777 3.094 20 10 DGCDRO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140468253 1091878653 /nfs/dbraw/zinc/87/86/53/1091878653.db2.gz BYSREOJBRNYOAU-OAHLLOKOSA-N 1 0 318.804 3.402 20 10 DGCDRO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140620241 1091934570 /nfs/dbraw/zinc/93/45/70/1091934570.db2.gz HSFVBBLUZGRTHC-IBGZPJMESA-N 1 0 316.445 3.068 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC001140621056 1091934871 /nfs/dbraw/zinc/93/48/71/1091934871.db2.gz NFRVAFKPJLIDSS-KRWDZBQOSA-N 1 0 310.441 3.407 20 10 DGCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140621590 1091935016 /nfs/dbraw/zinc/93/50/16/1091935016.db2.gz LWZKCDMTBZASDV-LPHOPBHVSA-N 1 0 319.445 3.108 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(c3ncccc3C)CC2)c1 ZINC001140621194 1091935143 /nfs/dbraw/zinc/93/51/43/1091935143.db2.gz 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ZINC001140856317 1092030127 /nfs/dbraw/zinc/03/01/27/1092030127.db2.gz XHMLPJDYDXDUFM-UHFFFAOYSA-N 1 0 313.445 3.308 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2C(C)=O)c(O)c1 ZINC001140855776 1092030243 /nfs/dbraw/zinc/03/02/43/1092030243.db2.gz JYSLMDJVAFTDDQ-QGZVFWFLSA-N 1 0 304.434 3.182 20 10 DGCDRO CCCC[NH+]1CCN(Cc2ccc(N(CC)CC)cc2O)CC1 ZINC001140854875 1092030664 /nfs/dbraw/zinc/03/06/64/1092030664.db2.gz FIQHYGIRKVTREJ-UHFFFAOYSA-N 1 0 319.493 3.156 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC)C2CCOCC2)c(O)c1 ZINC001140854802 1092030873 /nfs/dbraw/zinc/03/08/73/1092030873.db2.gz BTKKZGGDAYYCQF-UHFFFAOYSA-N 1 0 306.450 3.239 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001140921761 1092063604 /nfs/dbraw/zinc/06/36/04/1092063604.db2.gz OXHDJEULWBTTTL-RHSMWYFYSA-N 1 0 308.853 3.407 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH+](C(C)(C)C)CC2)c(Cl)c1 ZINC001140925837 1092064972 /nfs/dbraw/zinc/06/49/72/1092064972.db2.gz WPEIUHHGIIPFOZ-UHFFFAOYSA-N 1 0 309.885 3.322 20 10 DGCDRO COC(=O)C1(C)CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140924928 1092065235 /nfs/dbraw/zinc/06/52/35/1092065235.db2.gz WNKFMJJRKVUTJV-UHFFFAOYSA-N 1 0 324.852 3.181 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)c(O)c1 ZINC001140957824 1092081916 /nfs/dbraw/zinc/08/19/16/1092081916.db2.gz OMIHRIUNXJPSRP-UHFFFAOYSA-N 1 0 311.429 3.116 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)OC ZINC001207748265 1092087708 /nfs/dbraw/zinc/08/77/08/1092087708.db2.gz HXYQRFFGHPFTOB-KFKAGJAMSA-N 1 0 321.509 3.006 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2OCc3ccccc32)c1O ZINC001207805831 1092106490 /nfs/dbraw/zinc/10/64/90/1092106490.db2.gz KVXWFQKMIHRVTN-MRXNPFEDSA-N 1 0 319.788 3.415 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2cccc(C)c2)c(OC)c1 ZINC001141028168 1092110576 /nfs/dbraw/zinc/11/05/76/1092110576.db2.gz DLCNHMJGPVKHGC-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO c1c(C[N@@H+]2CCC[C@@]23CCOC3)cc2c3c1CCCN3CCC2 ZINC001141078314 1092130783 /nfs/dbraw/zinc/13/07/83/1092130783.db2.gz RCYLLUIWJXCVSX-FQEVSTJZSA-N 1 0 312.457 3.140 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)ccc21 ZINC001141142854 1092148630 /nfs/dbraw/zinc/14/86/30/1092148630.db2.gz CXABXRBONLIPFU-ZDUSSCGKSA-N 1 0 314.351 3.290 20 10 DGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141140723 1092148659 /nfs/dbraw/zinc/14/86/59/1092148659.db2.gz OUPJMFRIUBSSJY-UHFFFAOYSA-N 1 0 324.424 3.082 20 10 DGCDRO CN1CCOc2cc(C[N@H+](C)CCc3cccc(F)c3)ccc21 ZINC001141144511 1092149980 /nfs/dbraw/zinc/14/99/80/1092149980.db2.gz FYRPYUPOLNUKKV-UHFFFAOYSA-N 1 0 314.404 3.329 20 10 DGCDRO COC1(c2ccccc2)CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161751 1092157261 /nfs/dbraw/zinc/15/72/61/1092157261.db2.gz WUIYRGOMTILUEC-UHFFFAOYSA-N 1 0 313.397 3.236 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)c(C)c1 ZINC001141161463 1092157723 /nfs/dbraw/zinc/15/77/23/1092157723.db2.gz RRLZOUVCVALIAO-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC3(COc4ccccc43)CC2)c1 ZINC001141161283 1092158144 /nfs/dbraw/zinc/15/81/44/1092158144.db2.gz CBBLBNUUEVXXCC-UHFFFAOYSA-N 1 0 311.381 3.024 20 10 DGCDRO COc1ccc(N2CC[NH+](CC[C@H](C)SC)CC2)c(C)c1 ZINC001208149976 1092220964 /nfs/dbraw/zinc/22/09/64/1092220964.db2.gz OPQUMOHVYRNFLU-HNNXBMFYSA-N 1 0 308.491 3.267 20 10 DGCDRO COC(=O)[C@H]1CC[C@H](C[N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001208631861 1092436439 /nfs/dbraw/zinc/43/64/39/1092436439.db2.gz DWLALEKIFRRTBG-JCNLHEQBSA-N 1 0 318.461 3.164 20 10 DGCDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001168985420 1092462291 /nfs/dbraw/zinc/46/22/91/1092462291.db2.gz FCQFAZJRIVUERG-MLGOLLRUSA-N 1 0 300.358 3.080 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023291 1092504874 /nfs/dbraw/zinc/50/48/74/1092504874.db2.gz FDUDXTISOYVDTC-FUHWJXTLSA-N 1 0 317.433 3.164 20 10 DGCDRO C[C@@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC001208893130 1092570731 /nfs/dbraw/zinc/57/07/31/1092570731.db2.gz FVMXAKRTWAWANP-ZDUSSCGKSA-N 1 0 316.367 3.153 20 10 DGCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C(C)C)cc1C ZINC001169236955 1092611668 /nfs/dbraw/zinc/61/16/68/1092611668.db2.gz NMGHXLWMPZTWPN-INIZCTEOSA-N 1 0 320.477 3.424 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC001143103811 1092614894 /nfs/dbraw/zinc/61/48/94/1092614894.db2.gz KRESNQRHKNATIN-HNNXBMFYSA-N 1 0 317.351 3.189 20 10 DGCDRO Oc1cc2c(cc1O)C[N@H+](CCc1cc(F)cc(F)c1)CCC2 ZINC001209134084 1092667901 /nfs/dbraw/zinc/66/79/01/1092667901.db2.gz YVTSQUNUZPAETI-UHFFFAOYSA-N 1 0 319.351 3.367 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001149880367 1092739617 /nfs/dbraw/zinc/73/96/17/1092739617.db2.gz IQTDGPTWFVHJDR-UHFFFAOYSA-N 1 0 306.450 3.109 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)cc1 ZINC001209516888 1092806231 /nfs/dbraw/zinc/80/62/31/1092806231.db2.gz RWRLHDZWKBEAJS-OALUTQOASA-N 1 0 316.420 3.389 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCN3CCC2CC3)cc1 ZINC001209520290 1092807689 /nfs/dbraw/zinc/80/76/89/1092807689.db2.gz URTJUIFPUUGCNQ-UHFFFAOYSA-N 1 0 309.457 3.374 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)ccn1 ZINC001209642619 1092861402 /nfs/dbraw/zinc/86/14/02/1092861402.db2.gz WXEMQONQLYGHGC-UHFFFAOYSA-N 1 0 311.429 3.322 20 10 DGCDRO COc1c[nH+]ccc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001211263771 1093436376 /nfs/dbraw/zinc/43/63/76/1093436376.db2.gz IPKHRZONAWOEDL-UHFFFAOYSA-N 1 0 305.381 3.429 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(O)c1 ZINC000183212119 1093995299 /nfs/dbraw/zinc/99/52/99/1093995299.db2.gz DKDIGJVHTCPONS-QGZVFWFLSA-N 1 0 317.360 3.193 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)c(O)c1OC ZINC001336735878 1094716616 /nfs/dbraw/zinc/71/66/16/1094716616.db2.gz PKZFAMQGIQARFP-CVEARBPZSA-N 1 0 313.397 3.130 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)CCC2CCCC2)cc1C ZINC001122859215 1095082160 /nfs/dbraw/zinc/08/21/60/1095082160.db2.gz NFPANYNJZFJFQZ-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001137036431 1095300252 /nfs/dbraw/zinc/30/02/52/1095300252.db2.gz MJGNIPGTRNTOET-UHFFFAOYSA-N 1 0 311.429 3.322 20 10 DGCDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166646 1095471494 /nfs/dbraw/zinc/47/14/94/1095471494.db2.gz ATZYPKIETVJQDZ-GOSISDBHSA-N 1 0 324.415 3.416 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222277704 1095525148 /nfs/dbraw/zinc/52/51/48/1095525148.db2.gz QQGVRTJRMHWGDR-KRWDZBQOSA-N 1 0 324.852 3.020 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c(O)c1C ZINC001339285727 1095573637 /nfs/dbraw/zinc/57/36/37/1095573637.db2.gz BQMWJTCVDODKMX-RDJZCZTQSA-N 1 0 321.461 3.085 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCC[C@@]3(CCCC[NH2+]3)C2)c1O ZINC001222396897 1095592429 /nfs/dbraw/zinc/59/24/29/1095592429.db2.gz XOXJYONLXGAASP-KRWDZBQOSA-N 1 0 308.853 3.462 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001116588404 1095609036 /nfs/dbraw/zinc/60/90/36/1095609036.db2.gz FEAUNRQCHOJMJY-HZSPNIEDSA-N 1 0 316.445 3.238 20 10 DGCDRO Cc1cc(C[NH+]2CCN(c3ccccc3)CC2)ccc1N(C)C ZINC001139669786 1095613477 /nfs/dbraw/zinc/61/34/77/1095613477.db2.gz NXNMGWYILDNXSQ-UHFFFAOYSA-N 1 0 309.457 3.383 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001222436468 1095614120 /nfs/dbraw/zinc/61/41/20/1095614120.db2.gz YNQWANWYOGRUJF-IBGZPJMESA-N 1 0 302.462 3.408 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccccc1O ZINC001116674230 1095631154 /nfs/dbraw/zinc/63/11/54/1095631154.db2.gz WDYFKAUSHVDCAP-ZBFHGGJFSA-N 1 0 304.434 3.082 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222477107 1095634738 /nfs/dbraw/zinc/63/47/38/1095634738.db2.gz HMAAFIKAWZDNSE-AWEZNQCLSA-N 1 0 301.217 3.027 20 10 DGCDRO Cc1ccc(C)c(CN2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC001222563967 1095669365 /nfs/dbraw/zinc/66/93/65/1095669365.db2.gz SBHWGBOLTAZGKO-HKUYNNGSSA-N 1 0 308.425 3.080 20 10 DGCDRO c1[nH]c(CNCc2ccc3c(c2)CCO3)nc1-c1ccccc1 ZINC001116825104 1095670982 /nfs/dbraw/zinc/67/09/82/1095670982.db2.gz KCDLUKCWHVHOKD-UHFFFAOYSA-N 1 0 305.381 3.301 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(C)cc1O ZINC001116889983 1095692660 /nfs/dbraw/zinc/69/26/60/1095692660.db2.gz LUYGCSIBOAHMDP-RDJZCZTQSA-N 1 0 318.461 3.390 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(C)cc1O ZINC001116889981 1095692726 /nfs/dbraw/zinc/69/27/26/1095692726.db2.gz LUYGCSIBOAHMDP-DOTOQJQBSA-N 1 0 318.461 3.390 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(O)c1 ZINC001144520596 1095696868 /nfs/dbraw/zinc/69/68/68/1095696868.db2.gz VWOMTHNQUFYHAB-AWEZNQCLSA-N 1 0 317.360 3.150 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2F)c(O)c1 ZINC001144509288 1095697969 /nfs/dbraw/zinc/69/79/69/1095697969.db2.gz RVSWBHZUOJQYHE-HNNXBMFYSA-N 1 0 303.333 3.280 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c(O)c1 ZINC001144514452 1095698125 /nfs/dbraw/zinc/69/81/25/1095698125.db2.gz FCUJIXQPDCLGRH-GFCCVEGCSA-N 1 0 319.788 3.446 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCc3cccc(Cl)c3C2)c(O)c1 ZINC001144515646 1095700542 /nfs/dbraw/zinc/70/05/42/1095700542.db2.gz UFWOVWQPVQLOOW-UHFFFAOYSA-N 1 0 305.761 3.015 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c(O)c1 ZINC001144514478 1095701206 /nfs/dbraw/zinc/70/12/06/1095701206.db2.gz HJIXEMBFOASMKL-GFCCVEGCSA-N 1 0 319.788 3.446 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cccc(-c3cncnc3)c1)CC2 ZINC001137771339 1095738278 /nfs/dbraw/zinc/73/82/78/1095738278.db2.gz APNPPSUHFUYSNL-UHFFFAOYSA-N 1 0 317.392 3.408 20 10 DGCDRO Cc1cc(C[N@@H+](C)CCC(=O)N(C)C)c(C)n1-c1ccccc1 ZINC001137859191 1095769014 /nfs/dbraw/zinc/76/90/14/1095769014.db2.gz NGXOKGALHHOTKZ-UHFFFAOYSA-N 1 0 313.445 3.004 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001138127965 1095898986 /nfs/dbraw/zinc/89/89/86/1095898986.db2.gz ZZQOKHIAEKBNHJ-UHFFFAOYSA-N 1 0 319.351 3.154 20 10 DGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001117944981 1095906268 /nfs/dbraw/zinc/90/62/68/1095906268.db2.gz OCOMLPDPHLTRLA-ZPIQOJFGSA-N 1 0 318.461 3.476 20 10 DGCDRO COC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001118808639 1096083209 /nfs/dbraw/zinc/08/32/09/1096083209.db2.gz UMCVOWNKJSXZIQ-UBHSHLNASA-N 1 0 301.386 3.100 20 10 DGCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001118853167 1096091893 /nfs/dbraw/zinc/09/18/93/1096091893.db2.gz YABQYMLHUPILIG-SFHVURJKSA-N 1 0 320.383 3.162 20 10 DGCDRO Cc1cnccc1CC[NH2+]Cc1c(O)cccc1Br ZINC001118910014 1096103414 /nfs/dbraw/zinc/10/34/14/1096103414.db2.gz ZQURSSHKLVVNKV-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO Oc1ccc(CC[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)cc1O ZINC001171451731 1096885696 /nfs/dbraw/zinc/88/56/96/1096885696.db2.gz BBZIMTXDVQQCHD-AWEZNQCLSA-N 1 0 319.351 3.066 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)cc1O ZINC001171463263 1096892106 /nfs/dbraw/zinc/89/21/06/1096892106.db2.gz PHQMXHIPNOGWPK-CYBMUJFWSA-N 1 0 305.324 3.023 20 10 DGCDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC001171608471 1096933729 /nfs/dbraw/zinc/93/37/29/1096933729.db2.gz QINRHIGGFSWDIX-QGZVFWFLSA-N 1 0 306.450 3.209 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172228508 1097082380 /nfs/dbraw/zinc/08/23/80/1097082380.db2.gz GBBMGANEDDNMFT-YQQQUEKLSA-N 1 0 300.446 3.429 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCC2(CCC[NH2+]2)CC1 ZINC001228556665 1097141752 /nfs/dbraw/zinc/14/17/52/1097141752.db2.gz PLALNWWSHFBEHJ-UHFFFAOYSA-N 1 0 315.244 3.417 20 10 DGCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccccc1O)CC2 ZINC001172899571 1097267342 /nfs/dbraw/zinc/26/73/42/1097267342.db2.gz OEYCAPRONPVWKS-MRXNPFEDSA-N 1 0 312.369 3.338 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1COc2cccc(OC)c2C1 ZINC001173165951 1097342245 /nfs/dbraw/zinc/34/22/45/1097342245.db2.gz QABWYOZJDDASCF-OAHLLOKOSA-N 1 0 313.397 3.226 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2ncsc2C1)c1ccc(N(C)C)cc1 ZINC001173139604 1097342919 /nfs/dbraw/zinc/34/29/19/1097342919.db2.gz HOXIIEDQLGPYFH-JSGCOSHPSA-N 1 0 301.459 3.417 20 10 DGCDRO COC(=O)c1ccc(C[C@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC001173720370 1097501275 /nfs/dbraw/zinc/50/12/75/1097501275.db2.gz LKAFBGYAGCTQIT-AWEZNQCLSA-N 1 0 313.397 3.208 20 10 DGCDRO COc1ccc(Br)c(C[N@H+](C)C2CC(C)C2)c1O ZINC001231547737 1097778076 /nfs/dbraw/zinc/77/80/76/1097778076.db2.gz HYCAVHWRLSWQGT-UHFFFAOYSA-N 1 0 314.223 3.394 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(Br)c[nH]2)cc1 ZINC001231581326 1097783913 /nfs/dbraw/zinc/78/39/13/1097783913.db2.gz ZNZJDHAKRKSDPV-UHFFFAOYSA-N 1 0 322.250 3.475 20 10 DGCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)O1 ZINC001231590572 1097786127 /nfs/dbraw/zinc/78/61/27/1097786127.db2.gz IAWKWIQESYOGCK-IBGZPJMESA-N 1 0 311.381 3.217 20 10 DGCDRO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cccc(C)c1O)C2 ZINC001231593563 1097786627 /nfs/dbraw/zinc/78/66/27/1097786627.db2.gz RTLSICBZLWCCQU-LJQANCHMSA-N 1 0 316.445 3.068 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC001231591003 1097786770 /nfs/dbraw/zinc/78/67/70/1097786770.db2.gz OHKNARNTMVPCLT-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1O ZINC001231593428 1097786824 /nfs/dbraw/zinc/78/68/24/1097786824.db2.gz XSMCQEHETYQVRR-KRWDZBQOSA-N 1 0 301.361 3.493 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001231590646 1097786964 /nfs/dbraw/zinc/78/69/64/1097786964.db2.gz CSNJECPIXMXEJO-SWLSCSKDSA-N 1 0 317.351 3.226 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001231590647 1097787619 /nfs/dbraw/zinc/78/76/19/1097787619.db2.gz CSNJECPIXMXEJO-WFASDCNBSA-N 1 0 317.351 3.226 20 10 DGCDRO Cc1cccc(C[N@H+]2CCC[C@@H](Oc3ncccc3C)C2)c1O ZINC001231595179 1097788242 /nfs/dbraw/zinc/78/82/42/1097788242.db2.gz PQUSFDBSPOGVMI-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)c1O ZINC001231594646 1097788465 /nfs/dbraw/zinc/78/84/65/1097788465.db2.gz MLNRYGAPZQJQGY-UHFFFAOYSA-N 1 0 318.461 3.217 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(O)cc1O ZINC001231635737 1097797395 /nfs/dbraw/zinc/79/73/95/1097797395.db2.gz JCVLEPOCYYIYTN-HNNXBMFYSA-N 1 0 313.397 3.171 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(O)cc1O ZINC001231639171 1097798900 /nfs/dbraw/zinc/79/89/00/1097798900.db2.gz MSDOVVMIUWFOJR-BETUJISGSA-N 1 0 311.381 3.193 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCN(c3ccc(O)cc3)CC2)c(O)c1 ZINC001231843449 1097860308 /nfs/dbraw/zinc/86/03/08/1097860308.db2.gz ZKCYYZOVBXBOSU-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO Cc1cc(C)c(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001231842132 1097860797 /nfs/dbraw/zinc/86/07/97/1097860797.db2.gz KDRCOFBXXMVLNC-UHFFFAOYSA-N 1 0 322.449 3.308 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001231847564 1097861685 /nfs/dbraw/zinc/86/16/85/1097861685.db2.gz BNFFNQMXOWLTLP-MRXNPFEDSA-N 1 0 312.413 3.366 20 10 DGCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231849186 1097863280 /nfs/dbraw/zinc/86/32/80/1097863280.db2.gz PUSHIPATXVBENO-HNNXBMFYSA-N 1 0 305.418 3.174 20 10 DGCDRO COc1cc(N(C)C)ccc1CN1CCc2ccc(F)cc2C1 ZINC001231853476 1097865486 /nfs/dbraw/zinc/86/54/86/1097865486.db2.gz KVECCKPLEVDCKJ-UHFFFAOYSA-N 1 0 314.404 3.459 20 10 DGCDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231851729 1097865866 /nfs/dbraw/zinc/86/58/66/1097865866.db2.gz AYFMDCGEIDDXJL-APWZRJJASA-N 1 0 318.461 3.010 20 10 DGCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231869988 1097869346 /nfs/dbraw/zinc/86/93/46/1097869346.db2.gz DRXPUWAUODTCRD-SCRDCRAPSA-N 1 0 323.820 3.128 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@](O)(CF)CC2)cc1Cl ZINC001231868653 1097869627 /nfs/dbraw/zinc/86/96/27/1097869627.db2.gz VUEORGLBAWATQU-OAHLLOKOSA-N 1 0 301.789 3.041 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231871607 1097871598 /nfs/dbraw/zinc/87/15/98/1097871598.db2.gz OCRHXHUTVNOJGJ-LBPRGKRZSA-N 1 0 311.809 3.129 20 10 DGCDRO COCc1noc2c1C[N@H+](Cc1ccc3ccccc3c1O)CC2 ZINC001231880337 1097876815 /nfs/dbraw/zinc/87/68/15/1097876815.db2.gz LUGMGYCUUBNUEG-UHFFFAOYSA-N 1 0 324.380 3.238 20 10 DGCDRO Oc1c(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)ccc2ccccc21 ZINC001231879664 1097877702 /nfs/dbraw/zinc/87/77/02/1097877702.db2.gz MWDHFXIHXFEPGY-CABCVRRESA-N 1 0 305.324 3.011 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@@](O)(CF)CC2)ccc2ccccc21 ZINC001231879362 1097878113 /nfs/dbraw/zinc/87/81/13/1097878113.db2.gz COHMDFUBPYQWKT-SFHVURJKSA-N 1 0 303.377 3.232 20 10 DGCDRO COC(=O)CC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231878418 1097878226 /nfs/dbraw/zinc/87/82/26/1097878226.db2.gz JVIWZUNTNAJQIS-UHFFFAOYSA-N 1 0 313.397 3.321 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1Cl ZINC001232261651 1097984325 /nfs/dbraw/zinc/98/43/25/1097984325.db2.gz LJAHHLLXZFMAFA-CQSZACIVSA-N 1 0 304.777 3.483 20 10 DGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232264573 1097986945 /nfs/dbraw/zinc/98/69/45/1097986945.db2.gz KPQKZYIOCMPPIL-ZDUSSCGKSA-N 1 0 313.825 3.445 20 10 DGCDRO COc1cc(O)c(CN2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC001232264445 1097987261 /nfs/dbraw/zinc/98/72/61/1097987261.db2.gz IUFRUAYEVSOCSP-UHFFFAOYSA-N 1 0 324.852 3.114 20 10 DGCDRO CCC[N@H+](Cc1cc(Cl)c(OC)cc1[O-])C1CCOCC1 ZINC001232267989 1097989068 /nfs/dbraw/zinc/98/90/68/1097989068.db2.gz LABYMYOHSVEZPY-UHFFFAOYSA-N 1 0 313.825 3.445 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001232835351 1098147998 /nfs/dbraw/zinc/14/79/98/1098147998.db2.gz BCVHYOWRKJLVNV-CQSZACIVSA-N 1 0 302.340 3.027 20 10 DGCDRO COc1cc(C[N@@H+]2CCc3cccc(O)c3C2)c(OC)cc1C ZINC001232837416 1098149053 /nfs/dbraw/zinc/14/90/53/1098149053.db2.gz UQLJHNVHIZITOY-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001232842060 1098150320 /nfs/dbraw/zinc/15/03/20/1098150320.db2.gz YPQGFZIGNXAIGP-KRWDZBQOSA-N 1 0 324.424 3.163 20 10 DGCDRO Oc1cc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc(O)c1O ZINC001233012076 1098204263 /nfs/dbraw/zinc/20/42/63/1098204263.db2.gz IUOTVEZUJJRIEF-OAHLLOKOSA-N 1 0 313.397 3.258 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]3C[C@H]32)cc1Br ZINC001233142842 1098237126 /nfs/dbraw/zinc/23/71/26/1098237126.db2.gz ZCQRXZFSAUTZDX-JOYOIKCWSA-N 1 0 312.207 3.148 20 10 DGCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286460 1098276037 /nfs/dbraw/zinc/27/60/37/1098276037.db2.gz UWHPIPOGBPBEBX-AWEZNQCLSA-N 1 0 319.445 3.465 20 10 DGCDRO COC(=O)CC[N@H+](Cc1cc(C(C)(C)C)ccc1O)C1CC1 ZINC001233287045 1098276388 /nfs/dbraw/zinc/27/63/88/1098276388.db2.gz UJIIPEUEDFBRMS-UHFFFAOYSA-N 1 0 305.418 3.217 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c1 ZINC001233286876 1098276910 /nfs/dbraw/zinc/27/69/10/1098276910.db2.gz MIZQAAFVXNCQRO-UHFFFAOYSA-N 1 0 312.413 3.349 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c1O ZINC001233287831 1098278002 /nfs/dbraw/zinc/27/80/02/1098278002.db2.gz JCQDULHTRRYGST-ZBEGNZNMSA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccc(C)nc2)c1O ZINC001233290601 1098278267 /nfs/dbraw/zinc/27/82/67/1098278267.db2.gz MSTBQEWWUFKYOY-UHFFFAOYSA-N 1 0 306.793 3.390 20 10 DGCDRO C[NH+]1CCC(C2CC[NH+](Cc3c([O-])ccc(F)c3F)CC2)CC1 ZINC001233334596 1098292479 /nfs/dbraw/zinc/29/24/79/1098292479.db2.gz MXKTXTUSTVNKCG-UHFFFAOYSA-N 1 0 324.415 3.224 20 10 DGCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455252 1098339690 /nfs/dbraw/zinc/33/96/90/1098339690.db2.gz CIOGFTBQCGSPBA-AWEZNQCLSA-N 1 0 314.351 3.080 20 10 DGCDRO CCCO[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453950 1098340556 /nfs/dbraw/zinc/34/05/56/1098340556.db2.gz ABDAWTCZKGBLEK-CYBMUJFWSA-N 1 0 303.324 3.412 20 10 DGCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455669 1098340810 /nfs/dbraw/zinc/34/08/10/1098340810.db2.gz UADKVALQSGGRFU-CQSZACIVSA-N 1 0 316.367 3.326 20 10 DGCDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454671 1098341777 /nfs/dbraw/zinc/34/17/77/1098341777.db2.gz FCSODAYKGGZAED-AWEZNQCLSA-N 1 0 316.367 3.327 20 10 DGCDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233484881 1098345704 /nfs/dbraw/zinc/34/57/04/1098345704.db2.gz AMPGFAPJEKLTGR-AWEZNQCLSA-N 1 0 315.369 3.149 20 10 DGCDRO COc1ccc([C@H](C)[N@H+](C)Cc2cc(O)c(O)cc2O)cc1 ZINC001233486412 1098348003 /nfs/dbraw/zinc/34/80/03/1098348003.db2.gz MCNSPTLKAJOBLN-NSHDSACASA-N 1 0 303.358 3.005 20 10 DGCDRO CC[NH+](CC)CCN(C)Cc1cccc(OC(F)(F)F)c1O ZINC001233727985 1098416757 /nfs/dbraw/zinc/41/67/57/1098416757.db2.gz SNHTZQBVSUGVOL-UHFFFAOYSA-N 1 0 320.355 3.064 20 10 DGCDRO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233768120 1098426871 /nfs/dbraw/zinc/42/68/71/1098426871.db2.gz KBZJSCGCGKIXKS-LBPRGKRZSA-N 1 0 317.307 3.234 20 10 DGCDRO C[C@H]1C[NH2+]CCN(Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001206286779 1098445865 /nfs/dbraw/zinc/44/58/65/1098445865.db2.gz URMKUOKWVCWPCK-LBPRGKRZSA-N 1 0 310.869 3.384 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)c2ccccn2)ccc1OC ZINC001177081519 1098465986 /nfs/dbraw/zinc/46/59/86/1098465986.db2.gz LBPSQPPRIMCIGP-CQSZACIVSA-N 1 0 300.402 3.478 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC001177827733 1098609545 /nfs/dbraw/zinc/60/95/45/1098609545.db2.gz CLYMPWRSFWXHTB-QGZVFWFLSA-N 1 0 312.388 3.449 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001177871634 1098624986 /nfs/dbraw/zinc/62/49/86/1098624986.db2.gz ZDDMZHAFJNDURT-KRWDZBQOSA-N 1 0 324.424 3.319 20 10 DGCDRO CO[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1F ZINC001234992812 1098735835 /nfs/dbraw/zinc/73/58/35/1098735835.db2.gz RSPSTAJKYWTHLJ-IRXDYDNUSA-N 1 0 301.361 3.228 20 10 DGCDRO CCOC(=O)C1C[NH+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234997088 1098741120 /nfs/dbraw/zinc/74/11/20/1098741120.db2.gz RMIGGJDJGGJSSJ-UHFFFAOYSA-N 1 0 311.381 3.054 20 10 DGCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235002222 1098744836 /nfs/dbraw/zinc/74/48/36/1098744836.db2.gz YQKLYRFBQZYLDJ-SFHVURJKSA-N 1 0 324.424 3.160 20 10 DGCDRO CC(C)(C)c1ccc(CN2CCCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235128592 1098825123 /nfs/dbraw/zinc/82/51/23/1098825123.db2.gz HNIOBRHWDOAXBQ-IBGZPJMESA-N 1 0 302.462 3.408 20 10 DGCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235160720 1098846585 /nfs/dbraw/zinc/84/65/85/1098846585.db2.gz QKJJAXCAGINRGQ-OAHLLOKOSA-N 1 0 310.388 3.025 20 10 DGCDRO COc1cc(O)c(CN2CCCC[C@@]23CCC[NH2+]C3)c(Cl)c1 ZINC001235178916 1098861815 /nfs/dbraw/zinc/86/18/15/1098861815.db2.gz PVLRJYMLIGLAKA-KRWDZBQOSA-N 1 0 324.852 3.162 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCN2CCCC(C)(C)C2)cc1F ZINC001178581703 1098864789 /nfs/dbraw/zinc/86/47/89/1098864789.db2.gz XECCXTNHGURTRM-UHFFFAOYSA-N 1 0 307.457 3.103 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CCCCC12CC[NH2+]CC2 ZINC001235190753 1098868584 /nfs/dbraw/zinc/86/85/84/1098868584.db2.gz KFBGKEUXXVORJV-UHFFFAOYSA-N 1 0 312.816 3.293 20 10 DGCDRO [O-]c1c(F)ccc(F)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235229496 1098904188 /nfs/dbraw/zinc/90/41/88/1098904188.db2.gz PWLVDVUBTBGWKI-MRXNPFEDSA-N 1 0 310.388 3.025 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001235304729 1098950243 /nfs/dbraw/zinc/95/02/43/1098950243.db2.gz PDCWMIHGLKIURJ-MSOLQXFVSA-N 1 0 312.388 3.135 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1C ZINC001179352533 1099065406 /nfs/dbraw/zinc/06/54/06/1099065406.db2.gz FPMVMSNSMHCHFZ-HRAJDOBDSA-N 1 0 301.430 3.297 20 10 DGCDRO CC(C)(C)c1ccc(CN2CC[NH+](C3CCC3)CC2)c(O)c1 ZINC001235675946 1099118871 /nfs/dbraw/zinc/11/88/71/1099118871.db2.gz MOLCIOVIGNFKIU-UHFFFAOYSA-N 1 0 302.462 3.360 20 10 DGCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235679433 1099121547 /nfs/dbraw/zinc/12/15/47/1099121547.db2.gz ONGXJBUANXOLEA-UKRRQHHQSA-N 1 0 319.445 3.321 20 10 DGCDRO C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)C1 ZINC001235680609 1099124121 /nfs/dbraw/zinc/12/41/21/1099124121.db2.gz WGJNBZOURUOOQG-LJQANCHMSA-N 1 0 302.462 3.217 20 10 DGCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)c1 ZINC001235689224 1099128794 /nfs/dbraw/zinc/12/87/94/1099128794.db2.gz YPTNLISPZQFGEP-IBGZPJMESA-N 1 0 312.413 3.321 20 10 DGCDRO Cc1ccc(NCC[NH2+]C/C=C/c2ccc(N(C)C)cc2)nc1 ZINC001179651796 1099153876 /nfs/dbraw/zinc/15/38/76/1099153876.db2.gz PKHQCDJLPWSOPM-SNAWJCMRSA-N 1 0 310.445 3.171 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2F)cc1 ZINC001235741296 1099157041 /nfs/dbraw/zinc/15/70/41/1099157041.db2.gz DNIAIMCWFMPKTJ-IBGZPJMESA-N 1 0 313.420 3.038 20 10 DGCDRO Cc1cc(F)cc(CN2CC[NH2+]C[C@H]2c2ccccc2F)c1O ZINC001235748235 1099163886 /nfs/dbraw/zinc/16/38/86/1099163886.db2.gz IXGGPAUQSJEQCJ-KRWDZBQOSA-N 1 0 318.367 3.125 20 10 DGCDRO Oc1ccc(F)cc1CN1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC001235815867 1099193379 /nfs/dbraw/zinc/19/33/79/1099193379.db2.gz PMTBSGOOZSFJDE-INIZCTEOSA-N 1 0 320.795 3.331 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235853319 1099212152 /nfs/dbraw/zinc/21/21/52/1099212152.db2.gz KLMMSLRJKCFJAG-INIZCTEOSA-N 1 0 302.805 3.192 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCN[C@H](c4ccccc4)C3)ccc21 ZINC001235859247 1099222041 /nfs/dbraw/zinc/22/20/41/1099222041.db2.gz LWVMLTQGRLADMU-FQEVSTJZSA-N 1 0 321.468 3.216 20 10 DGCDRO C[C@@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H](C)[NH2+]1 ZINC001235901869 1099244973 /nfs/dbraw/zinc/24/49/73/1099244973.db2.gz QCSIIUKWLUFQOO-OKILXGFUSA-N 1 0 314.404 3.381 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])C[C@@H]1CCC[NH2+]C1 ZINC001235958213 1099289657 /nfs/dbraw/zinc/28/96/57/1099289657.db2.gz ZBQHSEYDTJXMSJ-SNVBAGLBSA-N 1 0 303.233 3.130 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001236094029 1099383585 /nfs/dbraw/zinc/38/35/85/1099383585.db2.gz YUWJMOCWQZVLSD-PHIMTYICSA-N 1 0 301.217 3.025 20 10 DGCDRO CCC[N@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)C1CC1 ZINC001180326822 1099385458 /nfs/dbraw/zinc/38/54/58/1099385458.db2.gz SQWFNVKOTUMTKD-UHFFFAOYSA-N 1 0 318.392 3.478 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236115675 1099403234 /nfs/dbraw/zinc/40/32/34/1099403234.db2.gz GDFGHEBIBVBNMX-CYBMUJFWSA-N 1 0 308.834 3.254 20 10 DGCDRO CN(Cc1cc(-c2ccc(F)cc2)ccc1O)C[C@@H]1CCC[NH2+]1 ZINC001236124528 1099412581 /nfs/dbraw/zinc/41/25/81/1099412581.db2.gz NRGKZUCAINFLCE-SFHVURJKSA-N 1 0 314.404 3.382 20 10 DGCDRO CCCC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2O)CC[NH2+]1 ZINC001236140739 1099425938 /nfs/dbraw/zinc/42/59/38/1099425938.db2.gz FSPWSAKPGQMDEM-CYBMUJFWSA-N 1 0 316.367 3.375 20 10 DGCDRO CCCC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2O)CC[NH2+]1 ZINC001236140360 1099426703 /nfs/dbraw/zinc/42/67/03/1099426703.db2.gz DUXCFGFRFRLWSK-CQSZACIVSA-N 1 0 316.367 3.375 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H](C)c2nc(C)cs2)cc1OC ZINC001180654339 1099483334 /nfs/dbraw/zinc/48/33/34/1099483334.db2.gz GIUZUZVAAOOHIU-SNVBAGLBSA-N 1 0 322.430 3.068 20 10 DGCDRO CC(C)(C)c1cccc(CN(C2CC2)[C@H]2CCC[NH2+]C2)c1O ZINC001236239743 1099493450 /nfs/dbraw/zinc/49/34/50/1099493450.db2.gz LNMGTTYFOHVSDB-INIZCTEOSA-N 1 0 302.462 3.406 20 10 DGCDRO [O-]c1cc(F)cc(F)c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374505 1099561100 /nfs/dbraw/zinc/56/11/00/1099561100.db2.gz DDNAPDRBUJTYOC-CYBMUJFWSA-N 1 0 324.415 3.415 20 10 DGCDRO Nc1ccc(CN(Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236407661 1099580526 /nfs/dbraw/zinc/58/05/26/1099580526.db2.gz YGACHVBFYUGIGB-UHFFFAOYSA-N 1 0 313.420 3.162 20 10 DGCDRO CCN(CC)c1ccc(CN(C(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236467662 1099628331 /nfs/dbraw/zinc/62/83/31/1099628331.db2.gz GGATYIWMKJQZAY-GOSISDBHSA-N 1 0 319.493 3.201 20 10 DGCDRO CC(C)N(Cc1ccc(C(F)(F)F)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236471265 1099631632 /nfs/dbraw/zinc/63/16/32/1099631632.db2.gz ZNTDFRRYMBWAOS-CQSZACIVSA-N 1 0 316.367 3.373 20 10 DGCDRO COc1cc(O)c(CN(CC[NH3+])Cc2ccccc2)cc1Cl ZINC001236523535 1099658634 /nfs/dbraw/zinc/65/86/34/1099658634.db2.gz GGTWJISUGVRSCJ-UHFFFAOYSA-N 1 0 320.820 3.015 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC3(CCOC3(C)C)CC2)c1 ZINC001203680860 1099738448 /nfs/dbraw/zinc/73/84/48/1099738448.db2.gz HPGGNRNRLLGWFL-UHFFFAOYSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC3(CC(F)C3)CC2)cc1OC ZINC001236749461 1099769583 /nfs/dbraw/zinc/76/95/83/1099769583.db2.gz IGOSYHIRWMTROU-UHFFFAOYSA-N 1 0 309.381 3.124 20 10 DGCDRO CCC[N@H+](CC)Cc1cc(OC)c(Br)cc1O ZINC001236745550 1099770246 /nfs/dbraw/zinc/77/02/46/1099770246.db2.gz PXVVWSRLRZGWJR-UHFFFAOYSA-N 1 0 302.212 3.395 20 10 DGCDRO COc1cc(C[NH+]2C3CCC2CC3)c(O)cc1Br ZINC001236749328 1099770305 /nfs/dbraw/zinc/77/03/05/1099770305.db2.gz BWJRIUJESQIGAI-UHFFFAOYSA-N 1 0 312.207 3.290 20 10 DGCDRO COc1cc(C[N@H+](C)CC2CCC2)c(O)cc1Br ZINC001236753364 1099771195 /nfs/dbraw/zinc/77/11/95/1099771195.db2.gz MPZMEPKESDCPFG-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO CCC1CC[NH+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236763918 1099773792 /nfs/dbraw/zinc/77/37/92/1099773792.db2.gz CJPVVFZZCQFNTM-UHFFFAOYSA-N 1 0 314.223 3.482 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)[C@@H](C)C1 ZINC001236770573 1099776285 /nfs/dbraw/zinc/77/62/85/1099776285.db2.gz IVYMFZOPYNLOFM-UWVGGRQHSA-N 1 0 314.223 3.481 20 10 DGCDRO C[C@H]1CN(Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236778611 1099780017 /nfs/dbraw/zinc/78/00/17/1099780017.db2.gz IYYITPIHLSRQRP-HNNXBMFYSA-N 1 0 313.397 3.192 20 10 DGCDRO CCc1ccc(C[NH+]2CC3(CCN3Cc3ccccc3)C2)c(O)c1 ZINC001236794868 1099790848 /nfs/dbraw/zinc/79/08/48/1099790848.db2.gz QKKFRHUTFWDXMB-UHFFFAOYSA-N 1 0 322.452 3.415 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(Cl)c1 ZINC001236798271 1099792770 /nfs/dbraw/zinc/79/27/70/1099792770.db2.gz FACJNLDQGNKVFB-CYBMUJFWSA-N 1 0 318.804 3.439 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCCCO3)c(Cl)c1 ZINC001236798572 1099794128 /nfs/dbraw/zinc/79/41/28/1099794128.db2.gz PDBXULHDYTZVOE-INIZCTEOSA-N 1 0 311.809 3.199 20 10 DGCDRO CCN(Cc1ccncc1)Cc1c(O)cc(OC)cc1Cl ZINC001236803067 1099797300 /nfs/dbraw/zinc/79/73/00/1099797300.db2.gz MJIVTUQVOHFAPT-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001236818551 1099805904 /nfs/dbraw/zinc/80/59/04/1099805904.db2.gz NXXNJHZWTQBBPU-GDBMZVCRSA-N 1 0 303.402 3.043 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236834394 1099820978 /nfs/dbraw/zinc/82/09/78/1099820978.db2.gz YAWGGBVBRVDKJM-KRWDZBQOSA-N 1 0 313.397 3.463 20 10 DGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)C1)C1CC1 ZINC001236836096 1099823858 /nfs/dbraw/zinc/82/38/58/1099823858.db2.gz XORJRCQWLYEJLZ-GOSISDBHSA-N 1 0 324.424 3.036 20 10 DGCDRO CC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236932184 1099882561 /nfs/dbraw/zinc/88/25/61/1099882561.db2.gz VUUWAHPFSNBLJR-CQSZACIVSA-N 1 0 308.853 3.409 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c(O)c1 ZINC001237041885 1099939666 /nfs/dbraw/zinc/93/96/66/1099939666.db2.gz OUYJEWCRMGPDRU-KRWDZBQOSA-N 1 0 312.413 3.393 20 10 DGCDRO CCOc1ccc(CN2CC[NH+](CC3CCCC3)CC2)c(O)c1 ZINC001237041467 1099939739 /nfs/dbraw/zinc/93/97/39/1099939739.db2.gz KZOVQKQOIPBKBH-UHFFFAOYSA-N 1 0 318.461 3.099 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC(n3nccc3C)CC2)c(O)c1 ZINC001237047406 1099942579 /nfs/dbraw/zinc/94/25/79/1099942579.db2.gz WUJWLINGOKYMAQ-UHFFFAOYSA-N 1 0 315.417 3.133 20 10 DGCDRO CC(C)c1ccc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c(O)c1 ZINC001237054979 1099948623 /nfs/dbraw/zinc/94/86/23/1099948623.db2.gz KNIMUKONHHFFKT-INIZCTEOSA-N 1 0 305.418 3.243 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c(Br)c1 ZINC001237070450 1099952488 /nfs/dbraw/zinc/95/24/88/1099952488.db2.gz MLASSJKMGDCLDA-TVQRCGJNSA-N 1 0 312.207 3.148 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CC2CC(C2)C1 ZINC001237063576 1099953578 /nfs/dbraw/zinc/95/35/78/1099953578.db2.gz VOCXAIPHHHXWAN-UHFFFAOYSA-N 1 0 301.308 3.175 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC001237063526 1099953777 /nfs/dbraw/zinc/95/37/77/1099953777.db2.gz SVDUTFZSHYNCFN-JTQLQIEISA-N 1 0 314.223 3.395 20 10 DGCDRO C[N@@H+]1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1(C)C ZINC001237084012 1099961980 /nfs/dbraw/zinc/96/19/80/1099961980.db2.gz GDZCTBXXTVFQTE-UHFFFAOYSA-N 1 0 303.233 3.225 20 10 DGCDRO CCN(CCC[NH+](C)C)Cc1c(O)ccc(Cl)c1Cl ZINC001237087351 1099964886 /nfs/dbraw/zinc/96/48/86/1099964886.db2.gz WCYYMKDMIYUSEK-UHFFFAOYSA-N 1 0 305.249 3.473 20 10 DGCDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3c(O)ccc(F)c3Cl)C[C@@H]21 ZINC001237123593 1099982230 /nfs/dbraw/zinc/98/22/30/1099982230.db2.gz DTHDPTPYYFQDRG-JRPNMDOOSA-N 1 0 313.800 3.432 20 10 DGCDRO CCOC1CC[NH+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237138765 1099988352 /nfs/dbraw/zinc/98/83/52/1099988352.db2.gz GDTHCNFAPROEHE-UHFFFAOYSA-N 1 0 303.324 3.412 20 10 DGCDRO C[N@@H+](Cc1cc(C(F)(F)F)ccc1O)CC1CC[NH+](C)CC1 ZINC001237140027 1099989517 /nfs/dbraw/zinc/98/95/17/1099989517.db2.gz UFZBRVNJOMBTQI-UHFFFAOYSA-N 1 0 316.367 3.185 20 10 DGCDRO CCCCN(CCCC)c1ccc(C[NH+]2CC(CO)C2)c(O)c1 ZINC001237207788 1100032275 /nfs/dbraw/zinc/03/22/75/1100032275.db2.gz HSBXXSYTYNALPB-UHFFFAOYSA-N 1 0 320.477 3.223 20 10 DGCDRO C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001237276342 1100057108 /nfs/dbraw/zinc/05/71/08/1100057108.db2.gz VIRGRHOIKVPUFT-OAHLLOKOSA-N 1 0 313.420 3.287 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC3(CCNc4ccccc43)CC2)c1 ZINC001237322519 1100076055 /nfs/dbraw/zinc/07/60/55/1100076055.db2.gz IIBYWKHTXKKOFU-UHFFFAOYSA-N 1 0 324.424 3.447 20 10 DGCDRO Cc1cccc(O)c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC001237480751 1100137873 /nfs/dbraw/zinc/13/78/73/1100137873.db2.gz AFYOVKXZQUCRJK-UHFFFAOYSA-N 1 0 302.462 3.399 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001237484017 1100138761 /nfs/dbraw/zinc/13/87/61/1100138761.db2.gz YRQHIRDFNMCIJW-GOSISDBHSA-N 1 0 310.441 3.407 20 10 DGCDRO COC(C[N@H+](Cc1ccccc1)Cc1c(C)cccc1O)OC ZINC001237484903 1100138913 /nfs/dbraw/zinc/13/89/13/1100138913.db2.gz JTIOQULEVBYPQZ-UHFFFAOYSA-N 1 0 315.413 3.322 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001237485747 1100139142 /nfs/dbraw/zinc/13/91/42/1100139142.db2.gz RTPABBMROXYIKO-UHFFFAOYSA-N 1 0 312.413 3.387 20 10 DGCDRO C[N@H+](C1CC1)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237623565 1100192281 /nfs/dbraw/zinc/19/22/81/1100192281.db2.gz PIJMHTJBHNESBN-UHFFFAOYSA-N 1 0 312.816 3.243 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(F)c1 ZINC001237633509 1100195655 /nfs/dbraw/zinc/19/56/55/1100195655.db2.gz UKYWONDUCBALRL-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@@H]1O ZINC001237641236 1100199993 /nfs/dbraw/zinc/19/99/93/1100199993.db2.gz OXASWFNWEHSVAV-ACJLOTCBSA-N 1 0 315.388 3.401 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@H]1O ZINC001237641238 1100200032 /nfs/dbraw/zinc/20/00/32/1100200032.db2.gz OXASWFNWEHSVAV-SCLBCKFNSA-N 1 0 315.388 3.401 20 10 DGCDRO COc1cc(C[NH+]2CCC(C(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237668157 1100210819 /nfs/dbraw/zinc/21/08/19/1100210819.db2.gz ADPGFCXBOFAWQH-UHFFFAOYSA-N 1 0 319.323 3.184 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]3CCO)CC2)c1O ZINC001237681062 1100212215 /nfs/dbraw/zinc/21/22/15/1100212215.db2.gz KUHAHHVUTMOGEU-CQSZACIVSA-N 1 0 309.837 3.339 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)c1O ZINC001237688111 1100213953 /nfs/dbraw/zinc/21/39/53/1100213953.db2.gz FSXUMGDRLSGKTM-AWEZNQCLSA-N 1 0 311.809 3.081 20 10 DGCDRO Cc1cc(Cl)cc(C[N@H+]2CCN(C)c3ncccc3C2)c1O ZINC001237683412 1100214240 /nfs/dbraw/zinc/21/42/40/1100214240.db2.gz GUTAZAMRYOYVNB-UHFFFAOYSA-N 1 0 317.820 3.201 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(C(N)=O)c1 ZINC001237694328 1100216529 /nfs/dbraw/zinc/21/65/29/1100216529.db2.gz BBULAXPXULINHJ-UHFFFAOYSA-N 1 0 323.440 3.018 20 10 DGCDRO [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001237812778 1100254874 /nfs/dbraw/zinc/25/48/74/1100254874.db2.gz HNRMFDWDFFWBAA-AWEZNQCLSA-N 1 0 322.767 3.233 20 10 DGCDRO CN(CCC[NH+]1CCCC1)Cc1cc(F)c(Cl)cc1O ZINC001237937804 1100297743 /nfs/dbraw/zinc/29/77/43/1100297743.db2.gz VEQVSZVQKSLXPO-UHFFFAOYSA-N 1 0 300.805 3.102 20 10 DGCDRO CCN(CC[NH+](CC)CC)Cc1cc(F)c(Cl)cc1O ZINC001237935576 1100296664 /nfs/dbraw/zinc/29/66/64/1100296664.db2.gz FDNVOKIXXLWQGX-UHFFFAOYSA-N 1 0 302.821 3.348 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238070848 1100349603 /nfs/dbraw/zinc/34/96/03/1100349603.db2.gz PZBWWYJEWGVJBW-CYBMUJFWSA-N 1 0 309.381 3.005 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3cc(O)ccc3C)CC2)cc1 ZINC001238097881 1100360083 /nfs/dbraw/zinc/36/00/83/1100360083.db2.gz DAHKIBNVUJHSRB-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO CC1(C)CO[C@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC001192012754 1100560797 /nfs/dbraw/zinc/56/07/97/1100560797.db2.gz JXWSEVNAYDYOAR-SJORKVTESA-N 1 0 319.445 3.188 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@H]1C[NH3+] ZINC001205637989 1100762807 /nfs/dbraw/zinc/76/28/07/1100762807.db2.gz KFOVRCMEOUTZGG-RYUDHWBXSA-N 1 0 316.367 3.218 20 10 DGCDRO CC[C@@H](C)COC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001194829825 1101017993 /nfs/dbraw/zinc/01/79/93/1101017993.db2.gz HRGAPVGPRQFZFE-CQSZACIVSA-N 1 0 320.433 3.129 20 10 DGCDRO Cc1c(C)n(Cc2ccccc2)c2ncnc(C3=CCC[NH2+]C3)c12 ZINC001240653632 1101083837 /nfs/dbraw/zinc/08/38/37/1101083837.db2.gz XWGUUASYZBNCMC-UHFFFAOYSA-N 1 0 318.424 3.473 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC001195621925 1101163991 /nfs/dbraw/zinc/16/39/91/1101163991.db2.gz FPJXEALZIBMAII-UHFFFAOYSA-N 1 0 306.450 3.225 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CCO)C2CCCC2)cc1 ZINC001203831756 1101262023 /nfs/dbraw/zinc/26/20/23/1101262023.db2.gz YFZCNMSAYDJARL-SFFCAUCYSA-N 1 0 302.462 3.297 20 10 DGCDRO C[N@@H+]1CCC=C(c2ncnc3c2ccn3Cc2ccccc2)C1 ZINC001241565252 1101550171 /nfs/dbraw/zinc/55/01/71/1101550171.db2.gz IJBXVXWLBNFOHO-UHFFFAOYSA-N 1 0 304.397 3.199 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COc3ccccc3C2)cc1F ZINC001199037703 1102051378 /nfs/dbraw/zinc/05/13/78/1102051378.db2.gz DQZZGHSGLUTRCN-HNNXBMFYSA-N 1 0 314.404 3.233 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCOCC(F)(F)F)cc1C ZINC001199101722 1102065204 /nfs/dbraw/zinc/06/52/04/1102065204.db2.gz VPIHMSYAAUJYPR-UHFFFAOYSA-N 1 0 305.340 3.452 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)ccc1OC ZINC001200972487 1102451347 /nfs/dbraw/zinc/45/13/47/1102451347.db2.gz YHMDZTSVUUBXOX-YQVWRLOYSA-N 1 0 319.445 3.279 20 10 DGCDRO CCC(CC)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001201534377 1102626541 /nfs/dbraw/zinc/62/65/41/1102626541.db2.gz HGHMZMPWWPUHKI-UHFFFAOYSA-N 1 0 306.450 3.262 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)NC(=O)OC(C)(C)C ZINC001202279669 1102921935 /nfs/dbraw/zinc/92/19/35/1102921935.db2.gz JSUWCMSBNVRMAK-CYBMUJFWSA-N 1 0 320.433 3.014 20 10 DGCDRO CCCN1C[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1=O ZINC001325489288 1103051349 /nfs/dbraw/zinc/05/13/49/1103051349.db2.gz KBCQTKRJTXRLIC-ILXRZTDVSA-N 1 0 316.445 3.097 20 10 DGCDRO C[C@H]1CCc2nc(C[NH2+]CCc3ccc(N)cc3)sc2C1 ZINC001326073919 1103200340 /nfs/dbraw/zinc/20/03/40/1103200340.db2.gz BFDTWRYEFSQJEL-LBPRGKRZSA-N 1 0 301.459 3.182 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])C2CCCCC2)cc1 ZINC001326371973 1103293484 /nfs/dbraw/zinc/29/34/84/1103293484.db2.gz UQJYTLHIEJJDNP-GOSISDBHSA-N 1 0 317.477 3.057 20 10 DGCDRO Oc1cccc(F)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001276359999 1103532543 /nfs/dbraw/zinc/53/25/43/1103532543.db2.gz OLCOCEPUEXYEOD-IRXDYDNUSA-N 1 0 304.409 3.123 20 10 DGCDRO CCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001327828442 1103733467 /nfs/dbraw/zinc/73/34/67/1103733467.db2.gz NHGUMKJPVRBXLW-WBVHZDCISA-N 1 0 318.461 3.130 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C/C=C/C2CC2)c1O ZINC001327869627 1103748952 /nfs/dbraw/zinc/74/89/52/1103748952.db2.gz YRUVZOKHTNOEOB-NSCUHMNNSA-N 1 0 312.207 3.219 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC001327999731 1103798209 /nfs/dbraw/zinc/79/82/09/1103798209.db2.gz HNDROYLGIVZYSM-RCCFBDPRSA-N 1 0 302.462 3.436 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC001327999728 1103798553 /nfs/dbraw/zinc/79/85/53/1103798553.db2.gz HNDROYLGIVZYSM-KSZLIROESA-N 1 0 302.462 3.436 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001328401220 1103934573 /nfs/dbraw/zinc/93/45/73/1103934573.db2.gz VAOCBGYWMKKLGY-VQTJNVASSA-N 1 0 313.489 3.393 20 10 DGCDRO Cc1cc(N(C)C)ccc1C1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001245427780 1104049400 /nfs/dbraw/zinc/04/94/00/1104049400.db2.gz NODZMAHYFQVZIG-QGZVFWFLSA-N 1 0 300.446 3.329 20 10 DGCDRO Nc1ccc(CC[NH2+][C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC001246467006 1104550962 /nfs/dbraw/zinc/55/09/62/1104550962.db2.gz RHJWKLZWHVCTFH-MRXNPFEDSA-N 1 0 302.805 3.058 20 10 DGCDRO CC[C@@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001330563290 1104577716 /nfs/dbraw/zinc/57/77/16/1104577716.db2.gz CWPLRKREZMEROE-KBRIMQKVSA-N 1 0 318.461 3.034 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246525853 1104578334 /nfs/dbraw/zinc/57/83/34/1104578334.db2.gz OJAFNCRIJAZNFW-IYOUNJFTSA-N 1 0 302.462 3.363 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2N[C@H]1CCCC[NH2+]C1 ZINC001246527812 1104579930 /nfs/dbraw/zinc/57/99/30/1104579930.db2.gz VOFKXTAWWKAUMD-KSSFIOAISA-N 1 0 302.462 3.364 20 10 DGCDRO O=c1[nH]c2cc(C[NH2+]Cc3ccc(N4CCCC4)cc3)ccc2o1 ZINC001330793279 1104648171 /nfs/dbraw/zinc/64/81/71/1104648171.db2.gz HSGGBASZNPSRAR-UHFFFAOYSA-N 1 0 323.396 3.423 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001275217399 1104680987 /nfs/dbraw/zinc/68/09/87/1104680987.db2.gz LVKNOHFQDRAYRD-UHFFFAOYSA-N 1 0 306.837 3.106 20 10 DGCDRO Cc1ccc(O)c(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)c1 ZINC001275311495 1104718347 /nfs/dbraw/zinc/71/83/47/1104718347.db2.gz AISTWZNXJDEDAB-UHFFFAOYSA-N 1 0 300.446 3.151 20 10 DGCDRO CSc1ccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)nc2c1 ZINC001247012644 1104777379 /nfs/dbraw/zinc/77/73/79/1104777379.db2.gz QIZGIQVEGIKVFT-UHFFFAOYSA-N 1 0 324.453 3.361 20 10 DGCDRO Cc1cc2nc(-c3ccc(N4CC[NH2+]CC4)cc3)[nH]c2cc1C ZINC001247014762 1104777951 /nfs/dbraw/zinc/77/79/51/1104777951.db2.gz PMJBGUQCQNLCNW-UHFFFAOYSA-N 1 0 306.413 3.256 20 10 DGCDRO CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)cc1 ZINC001275833206 1104925886 /nfs/dbraw/zinc/92/58/86/1104925886.db2.gz BSVKUBIVTATKOL-BGYRXZFFSA-N 1 0 313.489 3.344 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CC3(C)C[NH2+]C3)n2)cc1 ZINC001247719244 1104963183 /nfs/dbraw/zinc/96/31/83/1104963183.db2.gz QYGRGQUTKVSOPE-UHFFFAOYSA-N 1 0 322.412 3.296 20 10 DGCDRO Cc1ccc(C)c(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c1O ZINC001275968925 1104972012 /nfs/dbraw/zinc/97/20/12/1104972012.db2.gz SUKZKCVGUOMVOD-QFBILLFUSA-N 1 0 314.473 3.458 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CC[C@H]3[NH3+])n2)cc1 ZINC001248323490 1105096472 /nfs/dbraw/zinc/09/64/72/1105096472.db2.gz KXQWVYJDPUARLE-JKSUJKDBSA-N 1 0 308.385 3.349 20 10 DGCDRO CN1CC[C@H]([N@H+](C)Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001248883944 1105186655 /nfs/dbraw/zinc/18/66/55/1105186655.db2.gz TYXOIVYKVTYCCQ-ZDUSSCGKSA-N 1 0 310.869 3.479 20 10 DGCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249224388 1105249235 /nfs/dbraw/zinc/24/92/35/1105249235.db2.gz YHQLYOURHXNJTC-KGLIPLIRSA-N 1 0 317.429 3.169 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@](C)(O)CC3)ccc2O1 ZINC001249223436 1105250014 /nfs/dbraw/zinc/25/00/14/1105250014.db2.gz GGJSPPUSECEJGM-IBGZPJMESA-N 1 0 317.429 3.313 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)[C@@H]1CO ZINC001249223613 1105250031 /nfs/dbraw/zinc/25/00/31/1105250031.db2.gz JRGGNYVHBDPGNV-XJKSGUPXSA-N 1 0 317.429 3.169 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCCC4(COC4)C3)ccc2O1 ZINC001249230385 1105251495 /nfs/dbraw/zinc/25/14/95/1105251495.db2.gz FOXABYGMOKSJMG-UHFFFAOYSA-N 1 0 315.413 3.189 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)CC1(C)COC1 ZINC001249245120 1105256465 /nfs/dbraw/zinc/25/64/65/1105256465.db2.gz YAIOVLUOCSZHKW-UHFFFAOYSA-N 1 0 303.402 3.045 20 10 DGCDRO [NH3+][C@H](Cc1nc(-c2cccc3occc32)no1)c1ccccc1O ZINC001249339491 1105271651 /nfs/dbraw/zinc/27/16/51/1105271651.db2.gz LKWVTVIJOZZUJE-CQSZACIVSA-N 1 0 321.336 3.431 20 10 DGCDRO COc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c([O-])c1Cl ZINC001206574185 1105437586 /nfs/dbraw/zinc/43/75/86/1105437586.db2.gz QCAKBYWXLWNQOY-MRXNPFEDSA-N 1 0 312.841 3.005 20 10 DGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC001252848330 1105842090 /nfs/dbraw/zinc/84/20/90/1105842090.db2.gz NNVHSUOLKXRBAH-LJQANCHMSA-N 1 0 316.420 3.447 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC001252850498 1105842206 /nfs/dbraw/zinc/84/22/06/1105842206.db2.gz XOLSSEZOLPDYCM-SFHVURJKSA-N 1 0 302.393 3.057 20 10 DGCDRO CCCCC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001253540867 1105954714 /nfs/dbraw/zinc/95/47/14/1105954714.db2.gz ICWGAPJXNWLEMA-QGZVFWFLSA-N 1 0 320.477 3.067 20 10 DGCDRO C[C@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCO[C@H]1C1CC1 ZINC001254572780 1106106610 /nfs/dbraw/zinc/10/66/10/1106106610.db2.gz CNZWJWOWAJKIFO-OALUTQOASA-N 1 0 300.446 3.334 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC001255025619 1106168851 /nfs/dbraw/zinc/16/88/51/1106168851.db2.gz HNMANBJGRINLAI-UHFFFAOYSA-N 1 0 322.452 3.375 20 10 DGCDRO CCOC(=O)[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001255372792 1106234200 /nfs/dbraw/zinc/23/42/00/1106234200.db2.gz ANTVHMKXSOIFKF-WMZOPIPTSA-N 1 0 318.461 3.306 20 10 DGCDRO Oc1cc2ccccc2cc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC001255616471 1106278545 /nfs/dbraw/zinc/27/85/45/1106278545.db2.gz IGZGDFPNGKVYRV-UHFFFAOYSA-N 1 0 313.397 3.321 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C1CCN(C)CC1 ZINC001256202038 1106390190 /nfs/dbraw/zinc/39/01/90/1106390190.db2.gz SGONVPUONVMJMF-SFHVURJKSA-N 1 0 302.462 3.316 20 10 DGCDRO c1cc(C[NH2+][C@H]2CCCN(C3CCCC3)C2)cc2c1OCC2 ZINC001256899276 1106505021 /nfs/dbraw/zinc/50/50/21/1106505021.db2.gz DQZSVASZLXPSET-KRWDZBQOSA-N 1 0 300.446 3.118 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1CCN(C(C)C)CC1 ZINC001257224361 1106554418 /nfs/dbraw/zinc/55/44/18/1106554418.db2.gz ZABCRVHXMGGALR-UHFFFAOYSA-N 1 0 303.494 3.447 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H](C)CCSC)CC2)c(C)c1 ZINC001258224679 1106701464 /nfs/dbraw/zinc/70/14/64/1106701464.db2.gz PSEPWAYPHVUMIQ-HNNXBMFYSA-N 1 0 308.491 3.267 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc(N(C)C)cc1)c1cc(F)ccc1O ZINC001320119236 1106884599 /nfs/dbraw/zinc/88/45/99/1106884599.db2.gz YICDRMXSQGATFV-ZDUSSCGKSA-N 1 0 302.393 3.491 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC001320244088 1106937006 /nfs/dbraw/zinc/93/70/06/1106937006.db2.gz AFIREOXIVSEHCE-CTASWTNQSA-N 1 0 300.446 3.464 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001320253025 1106937862 /nfs/dbraw/zinc/93/78/62/1106937862.db2.gz OFDQYAKVDGEKEG-LSDHHAIUSA-N 1 0 318.461 3.487 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCc1cccc(C(N)=O)c1 ZINC001320419353 1107000856 /nfs/dbraw/zinc/00/08/56/1107000856.db2.gz DUBXTSMVOXATJS-BBRMVZONSA-N 1 0 324.424 3.180 20 10 DGCDRO c1cn([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001320498185 1107026868 /nfs/dbraw/zinc/02/68/68/1107026868.db2.gz ULCHBOBVGNWRLM-IBGZPJMESA-N 1 0 310.445 3.320 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001320607889 1107069768 /nfs/dbraw/zinc/06/97/68/1107069768.db2.gz MGDUJAYHLZPFKZ-FQEVSTJZSA-N 1 0 324.468 3.288 20 10 DGCDRO CCC[C@@H]1C[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317263372 1107183910 /nfs/dbraw/zinc/18/39/10/1107183910.db2.gz CFNVMDHXVJXLKF-USXIJHARSA-N 1 0 318.461 3.034 20 10 DGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001321074677 1107240471 /nfs/dbraw/zinc/24/04/71/1107240471.db2.gz SCAGKJCMAGBRHS-BMFZPTHFSA-N 1 0 316.445 3.097 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC001261390023 1107427681 /nfs/dbraw/zinc/42/76/81/1107427681.db2.gz YRJKTGDMIAAUEP-ZQDZILKHSA-N 1 0 316.445 3.130 20 10 DGCDRO CC[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCCC1 ZINC001321760406 1107428891 /nfs/dbraw/zinc/42/88/91/1107428891.db2.gz ZYMKOUROGLKQOG-UHFFFAOYSA-N 1 0 319.468 3.342 20 10 DGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001261677174 1107504520 /nfs/dbraw/zinc/50/45/20/1107504520.db2.gz IRZYKHSHBHPIPK-BETUJISGSA-N 1 0 314.223 3.200 20 10 DGCDRO C=C/C(C)=C\CC(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317619682 1107565984 /nfs/dbraw/zinc/56/59/84/1107565984.db2.gz GTMJCQIPGHIRGT-CHHVJCJISA-N 1 0 316.445 3.074 20 10 DGCDRO CC[C@@H](C)C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318503125 1108065725 /nfs/dbraw/zinc/06/57/25/1108065725.db2.gz OHJNFAIXIUSEJY-CZUORRHYSA-N 1 0 306.450 3.034 20 10 DGCDRO FC(F)CN1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001323741915 1108072653 /nfs/dbraw/zinc/07/26/53/1108072653.db2.gz XMTLWPFLYHUWEF-UHFFFAOYSA-N 1 0 323.431 3.060 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCNC(=O)C(C)C ZINC001323828654 1108098702 /nfs/dbraw/zinc/09/87/02/1108098702.db2.gz CCEXVOFHXGCOSZ-ZIAGYGMSSA-N 1 0 304.434 3.001 20 10 DGCDRO CC1(C)CCCN1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001325134239 1108582734 /nfs/dbraw/zinc/58/27/34/1108582734.db2.gz UQRUGLYBDGYXFU-UHFFFAOYSA-N 1 0 301.478 3.251 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001319705206 1108601456 /nfs/dbraw/zinc/60/14/56/1108601456.db2.gz GOJOLVMCFUEADB-INIZCTEOSA-N 1 0 319.468 3.200 20 10 DGCDRO OCC[N@H+](CCc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001319707581 1108602787 /nfs/dbraw/zinc/60/27/87/1108602787.db2.gz UBKXWVRSUGAJTC-UHFFFAOYSA-N 1 0 324.468 3.324 20 10 DGCDRO CC[N@H+](Cc1cc(C)n[nH]1)Cc1cc(Br)ccc1O ZINC001319716315 1108607135 /nfs/dbraw/zinc/60/71/35/1108607135.db2.gz GEVPSRCVYVVCBN-UHFFFAOYSA-N 1 0 324.222 3.208 20 10 DGCDRO CC[C@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266127402 1109102840 /nfs/dbraw/zinc/10/28/40/1109102840.db2.gz GCGJJUDXZDPCKY-DZGCQCFKSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2=CCCC2)cc1C ZINC001283594778 1109658234 /nfs/dbraw/zinc/65/82/34/1109658234.db2.gz NPFHJRGTXSWMGX-HNNXBMFYSA-N 1 0 316.445 3.050 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1 ZINC001307968879 1111360734 /nfs/dbraw/zinc/36/07/34/1111360734.db2.gz LTXPTDNAHCCFHZ-FQEVSTJZSA-N 1 0 309.457 3.463 20 10 DGCDRO C[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001308249760 1111404683 /nfs/dbraw/zinc/40/46/83/1111404683.db2.gz LNOGHAMMCBLTFN-CYBMUJFWSA-N 1 0 316.367 3.344 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1F ZINC001308322782 1111416467 /nfs/dbraw/zinc/41/64/67/1111416467.db2.gz SYBUUQADGKDZNM-RDTXWAMCSA-N 1 0 319.468 3.244 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2COC3(CCCCC3)O2)cc1C ZINC001308347899 1111419820 /nfs/dbraw/zinc/41/98/20/1111419820.db2.gz AJMBAQYRDIFGFK-INIZCTEOSA-N 1 0 305.418 3.169 20 10 DGCDRO CCCN1CCC[C@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001308399939 1111425262 /nfs/dbraw/zinc/42/52/62/1111425262.db2.gz SGGRQACXFONBSI-WPGJWXSHSA-N 1 0 301.478 3.230 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1C ZINC001308442488 1111429362 /nfs/dbraw/zinc/42/93/62/1111429362.db2.gz YTDMMINMWCJILZ-OAHLLOKOSA-N 1 0 312.404 3.213 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC001308529948 1111439038 /nfs/dbraw/zinc/43/90/38/1111439038.db2.gz JLXZLDICRCSBFS-IBGZPJMESA-N 1 0 316.445 3.160 20 10 DGCDRO CCc1cccc(C[NH+]2CCN(Cc3ccccc3)CC2)c1O ZINC001308559663 1111444886 /nfs/dbraw/zinc/44/48/86/1111444886.db2.gz GHRCHZGCDPPYFE-UHFFFAOYSA-N 1 0 310.441 3.272 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@H+](C)CCCNC(=O)C2CCC2)c1 ZINC001308686970 1111460348 /nfs/dbraw/zinc/46/03/48/1111460348.db2.gz PSCBUBCWTBUZJV-UHFFFAOYSA-N 1 0 318.461 3.254 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c(O)c1 ZINC001308690889 1111461102 /nfs/dbraw/zinc/46/11/02/1111461102.db2.gz HCOLFWLHZVRWNA-MRXNPFEDSA-N 1 0 317.360 3.462 20 10 DGCDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)CC1CCCCC1 ZINC001308829126 1111480817 /nfs/dbraw/zinc/48/08/17/1111480817.db2.gz CSQJZWPARFVKCQ-UHFFFAOYSA-N 1 0 305.418 3.338 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)c1O ZINC001308867339 1111486492 /nfs/dbraw/zinc/48/64/92/1111486492.db2.gz BCKMHVIYATWTSV-SFHVURJKSA-N 1 0 307.434 3.130 20 10 DGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(Cl)cc1O ZINC001308878530 1111487603 /nfs/dbraw/zinc/48/76/03/1111487603.db2.gz QBOZAKJGXMNGNP-SJKOYZFVSA-N 1 0 305.805 3.300 20 10 DGCDRO COC(=O)C[C@@](C)([NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC001308908100 1111492231 /nfs/dbraw/zinc/49/22/31/1111492231.db2.gz WMBDLUUJGMPVQC-SFFCAUCYSA-N 1 0 316.445 3.087 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c(O)c1 ZINC001308938650 1111496237 /nfs/dbraw/zinc/49/62/37/1111496237.db2.gz OVNZYFIUFHDECJ-UZLBHIALSA-N 1 0 309.409 3.483 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H]2C2CCCC2)cc1OC ZINC001308983967 1111505226 /nfs/dbraw/zinc/50/52/26/1111505226.db2.gz KRKPMHUOCBEQKW-DZGCQCFKSA-N 1 0 305.418 3.325 20 10 DGCDRO Cn1c(CCC[NH2+]Cc2ccc3c(c2)CCO3)nc2ccccc21 ZINC000076900961 185052943 /nfs/dbraw/zinc/05/29/43/185052943.db2.gz VVSZZENRHFQOHF-UHFFFAOYSA-N 1 0 321.424 3.231 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CO)C(C)C)c1cc(Br)ccc1O ZINC000092393357 185315641 /nfs/dbraw/zinc/31/56/41/185315641.db2.gz ABVIQBQGHNNLLJ-CHWSQXEVSA-N 1 0 316.239 3.212 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000103855004 432012916 /nfs/dbraw/zinc/01/29/16/432012916.db2.gz KCRGDHPHKLFOER-MRXNPFEDSA-N 1 0 300.402 3.220 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000083551963 192372347 /nfs/dbraw/zinc/37/23/47/192372347.db2.gz NKHBTUWEILBUOP-JTQLQIEISA-N 1 0 322.758 3.019 20 10 DGCDRO CCOCCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000165098702 432053582 /nfs/dbraw/zinc/05/35/82/432053582.db2.gz FHZBCIGGDDFBES-OAHLLOKOSA-N 1 0 324.440 3.130 20 10 DGCDRO CSC(C)(C)C[NH2+]Cc1cc(Br)ccc1O ZINC000165020908 432053923 /nfs/dbraw/zinc/05/39/23/432053923.db2.gz UWBOAOBKXHGAKT-UHFFFAOYSA-N 1 0 304.253 3.386 20 10 DGCDRO C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000165078091 432054048 /nfs/dbraw/zinc/05/40/48/432054048.db2.gz GLZYNADUZCBVIS-OAHLLOKOSA-N 1 0 317.477 3.052 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cccc(OCC)c2O)c1 ZINC000236951210 202089549 /nfs/dbraw/zinc/08/95/49/202089549.db2.gz DDSDTGKNUVNBTN-UHFFFAOYSA-N 1 0 301.386 3.479 20 10 DGCDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2O)C1)CC(F)(F)F ZINC000179582394 432064211 /nfs/dbraw/zinc/06/42/11/432064211.db2.gz YXKPLTPXCBBZHD-ZDUSSCGKSA-N 1 0 316.367 3.098 20 10 DGCDRO COc1ccc(O)c(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000179838517 432071872 /nfs/dbraw/zinc/07/18/72/432071872.db2.gz KGFQFXMTKHAMDX-KRWDZBQOSA-N 1 0 317.385 3.175 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000180282078 432082487 /nfs/dbraw/zinc/08/24/87/432082487.db2.gz IDBPAJHFPWKNTH-INIZCTEOSA-N 1 0 303.789 3.137 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)COC)c1cc(Br)ccc1O ZINC000019904828 182162602 /nfs/dbraw/zinc/16/26/02/182162602.db2.gz QMQMBBCPZUBVPU-SKDRFNHKSA-N 1 0 302.212 3.230 20 10 DGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268812368 432140068 /nfs/dbraw/zinc/14/00/68/432140068.db2.gz FCMKMZHQBRVWNK-HZPDHXFCSA-N 1 0 304.478 3.420 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)CC1 ZINC000268879629 432145815 /nfs/dbraw/zinc/14/58/15/432145815.db2.gz XJBINUZGLONPFR-UHFFFAOYSA-N 1 0 314.473 3.174 20 10 DGCDRO O=C1CCCN1C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000104656535 194022796 /nfs/dbraw/zinc/02/27/96/194022796.db2.gz PPUJNXLTBHTQLT-UHFFFAOYSA-N 1 0 324.424 3.132 20 10 DGCDRO Oc1ccccc1C[N@H+](CC1CC(F)(F)C1)C[C@H]1CCCO1 ZINC000294877864 285397562 /nfs/dbraw/zinc/39/75/62/285397562.db2.gz FRJVIPPAVDFANL-OAHLLOKOSA-N 1 0 311.372 3.419 20 10 DGCDRO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(Br)cc1O ZINC000185261539 533367633 /nfs/dbraw/zinc/36/76/33/533367633.db2.gz ZOKDUBZSYGSZPC-SNVBAGLBSA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(F)ccc1O ZINC000176981018 533450991 /nfs/dbraw/zinc/45/09/91/533450991.db2.gz JMXKRMGSFOECBI-LLVKDONJSA-N 1 0 303.333 3.153 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N(C)C)c2)c1 ZINC000271854005 129972389 /nfs/dbraw/zinc/97/23/89/129972389.db2.gz RYLAHIPKQFWYIL-ZDUSSCGKSA-N 1 0 300.402 3.318 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](CCOC)c2ccco2)c1O ZINC000272560053 130042752 /nfs/dbraw/zinc/04/27/52/130042752.db2.gz NFTGKDBMKVUVMK-CQSZACIVSA-N 1 0 305.374 3.251 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000273362082 130111500 /nfs/dbraw/zinc/11/15/00/130111500.db2.gz ARPSNHRIPNTBGI-GARJFASQSA-N 1 0 314.223 3.230 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Br)ccc1O ZINC000273372594 130112801 /nfs/dbraw/zinc/11/28/01/130112801.db2.gz GKCZNCZUYVNANL-WDEREUQCSA-N 1 0 324.222 3.091 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000273386990 130115545 /nfs/dbraw/zinc/11/55/45/130115545.db2.gz JSVCRSXJYIQCBU-HOCLYGCPSA-N 1 0 317.404 3.342 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c(O)c1 ZINC000273405883 130117859 /nfs/dbraw/zinc/11/78/59/130117859.db2.gz OJUCXYQBZZGBHK-CQSZACIVSA-N 1 0 312.413 3.253 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000273490342 130128355 /nfs/dbraw/zinc/12/83/55/130128355.db2.gz OBSNIAGUIQUWLM-VNBZBWLYSA-N 1 0 319.376 3.313 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1O ZINC000273750126 130162017 /nfs/dbraw/zinc/16/20/17/130162017.db2.gz NJTUJRAGBHBAFT-NSHDSACASA-N 1 0 321.808 3.157 20 10 DGCDRO COCCCOc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000285605339 131185064 /nfs/dbraw/zinc/18/50/64/131185064.db2.gz PSWDNLXOCUXTOL-UHFFFAOYSA-N 1 0 301.386 3.097 20 10 DGCDRO Cc1cnn(C)c1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000289001600 131350765 /nfs/dbraw/zinc/35/07/65/131350765.db2.gz DZGTVFXSPGBCQM-UHFFFAOYSA-N 1 0 300.450 3.205 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)CC2 ZINC000297239859 132005489 /nfs/dbraw/zinc/00/54/89/132005489.db2.gz ILXBOYVIHHQWLN-GFCCVEGCSA-N 1 0 306.312 3.166 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(N3CCOCC3)c1)CC2 ZINC000297368702 132012927 /nfs/dbraw/zinc/01/29/27/132012927.db2.gz QJMQHRDOXKCEFB-SFHVURJKSA-N 1 0 324.424 3.006 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc(N2CCCC2)n1 ZINC000297482251 132018269 /nfs/dbraw/zinc/01/82/69/132018269.db2.gz ZJFSIQKVRGSPKY-QGZVFWFLSA-N 1 0 323.440 3.473 20 10 DGCDRO COC1(CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCC1 ZINC000292909727 292107075 /nfs/dbraw/zinc/10/70/75/292107075.db2.gz WWSFWZIWKYRVLK-QGZVFWFLSA-N 1 0 319.445 3.332 20 10 DGCDRO CCCOc1ccc(C[NH+]2CCC(CC)(CO)CC2)c(O)c1 ZINC000093592281 400249919 /nfs/dbraw/zinc/24/99/19/400249919.db2.gz LUYXLXWURHAULJ-UHFFFAOYSA-N 1 0 307.434 3.166 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1 ZINC000185026784 292165842 /nfs/dbraw/zinc/16/58/42/292165842.db2.gz XURUTKKASUEHHG-LBPRGKRZSA-N 1 0 304.356 3.235 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCC(F)(F)F)CC2)cc1 ZINC000077268238 400702574 /nfs/dbraw/zinc/70/25/74/400702574.db2.gz FGFNJIUCHPXIGY-UHFFFAOYSA-N 1 0 302.340 3.160 20 10 DGCDRO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185439314 286810602 /nfs/dbraw/zinc/81/06/02/286810602.db2.gz DCDALLMHCFBNSC-ISTVAULSSA-N 1 0 316.239 3.212 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000269078462 432152426 /nfs/dbraw/zinc/15/24/26/432152426.db2.gz YWKVLLFEAZSKHO-IRXDYDNUSA-N 1 0 302.418 3.428 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C)o2)cc1 ZINC000268997171 432151525 /nfs/dbraw/zinc/15/15/25/432151525.db2.gz OBDBBVZWHVLOGP-YOEHRIQHSA-N 1 0 302.418 3.428 20 10 DGCDRO Nc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000269121251 432153362 /nfs/dbraw/zinc/15/33/62/432153362.db2.gz JXOPFNODYOXNBF-UHFFFAOYSA-N 1 0 309.413 3.120 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000269078460 432153933 /nfs/dbraw/zinc/15/39/33/432153933.db2.gz YWKVLLFEAZSKHO-IAGOWNOFSA-N 1 0 302.418 3.428 20 10 DGCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(OC)ccc2O)o1 ZINC000137072874 432169191 /nfs/dbraw/zinc/16/91/91/432169191.db2.gz STWWLMMIXFCRSA-MRXNPFEDSA-N 1 0 317.385 3.477 20 10 DGCDRO COCCC1(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000151173260 432227285 /nfs/dbraw/zinc/22/72/85/432227285.db2.gz PFOGUIBBCNJASQ-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000270090843 432227779 /nfs/dbraw/zinc/22/77/79/432227779.db2.gz KRGGLWZNOGDDFQ-YEJXKQKISA-N 1 0 303.427 3.289 20 10 DGCDRO C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)c1ccccc1O ZINC000183722824 228374938 /nfs/dbraw/zinc/37/49/38/228374938.db2.gz YXKZJNWMUJTIRC-ZDUSSCGKSA-N 1 0 308.422 3.348 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000184988484 228388007 /nfs/dbraw/zinc/38/80/07/228388007.db2.gz GOPXVSFJVVXUOM-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccc(C)o1 ZINC000185630350 228395611 /nfs/dbraw/zinc/39/56/11/228395611.db2.gz BDKYTQICKQTWOK-SWLSCSKDSA-N 1 0 305.374 3.341 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000353261364 229273322 /nfs/dbraw/zinc/27/33/22/229273322.db2.gz YYAWGHFGPRJKRS-UHFFFAOYSA-N 1 0 318.371 3.238 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000355129890 229304242 /nfs/dbraw/zinc/30/42/42/229304242.db2.gz XKKQUSSFAKIHMI-UHFFFAOYSA-N 1 0 319.412 3.058 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c1 ZINC000180203316 274114563 /nfs/dbraw/zinc/11/45/63/274114563.db2.gz OWILCCGNZBSDKA-IBGZPJMESA-N 1 0 313.397 3.148 20 10 DGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cccc(OC)c1O)CC2 ZINC000375533928 274123453 /nfs/dbraw/zinc/12/34/53/274123453.db2.gz MFUVDDJCEMXMIA-UHFFFAOYSA-N 1 0 313.397 3.010 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1ccncc1)C[C@H]1CCCO1 ZINC000112600312 275061616 /nfs/dbraw/zinc/06/16/16/275061616.db2.gz MOGKVKPDJPIMBF-GOSISDBHSA-N 1 0 312.413 3.011 20 10 DGCDRO CCOC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000364829851 276329654 /nfs/dbraw/zinc/32/96/54/276329654.db2.gz MSUZZYNKBJKVJB-LJQANCHMSA-N 1 0 320.477 3.315 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1O ZINC000292796028 276379574 /nfs/dbraw/zinc/37/95/74/276379574.db2.gz MWHHQNLLOJRYOT-INIZCTEOSA-N 1 0 305.418 3.039 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1O ZINC000271047571 276379800 /nfs/dbraw/zinc/37/98/00/276379800.db2.gz SGUUGZYUMDVVDZ-GOSISDBHSA-N 1 0 313.397 3.364 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CSC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000283376167 278389239 /nfs/dbraw/zinc/38/92/39/278389239.db2.gz OJHGVBVBWSVBLX-WBMJQRKESA-N 1 0 324.465 3.207 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000112536850 431281890 /nfs/dbraw/zinc/28/18/90/431281890.db2.gz XCHZQODFEIIBPO-HZPDHXFCSA-N 1 0 311.429 3.330 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@](C)(CO)C2CCCCC2)c1O ZINC000265760651 279970378 /nfs/dbraw/zinc/97/03/78/279970378.db2.gz JRUHUPJTSVZWTL-SFHVURJKSA-N 1 0 307.434 3.212 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1ccccc1O ZINC000121091633 431743152 /nfs/dbraw/zinc/74/31/52/431743152.db2.gz GVVDJHLHXZTNDB-FUHWJXTLSA-N 1 0 301.386 3.175 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1C ZINC000122031234 431810836 /nfs/dbraw/zinc/81/08/36/431810836.db2.gz CIGUSYWBRCSWEZ-GOSISDBHSA-N 1 0 324.424 3.072 20 10 DGCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2O)c(C)s1 ZINC000089126320 431860608 /nfs/dbraw/zinc/86/06/08/431860608.db2.gz WTSOHBIMMSXGAY-UHFFFAOYSA-N 1 0 305.399 3.181 20 10 DGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC000122435860 431832286 /nfs/dbraw/zinc/83/22/86/431832286.db2.gz VJHGBKBINJVUHG-NSHDSACASA-N 1 0 302.397 3.149 20 10 DGCDRO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c1O ZINC000093478485 431915327 /nfs/dbraw/zinc/91/53/27/431915327.db2.gz OPGHFHXBRVQXMX-GOSISDBHSA-N 1 0 313.397 3.283 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC(C3CCOCC3)CC2)c1O ZINC000093705031 431917170 /nfs/dbraw/zinc/91/71/70/431917170.db2.gz NCXVJKUWCMEVAB-UHFFFAOYSA-N 1 0 319.445 3.430 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1 ZINC000093864282 431918931 /nfs/dbraw/zinc/91/89/31/431918931.db2.gz NWHXSLRPZAOTEY-INIZCTEOSA-N 1 0 315.417 3.034 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000091856780 431906718 /nfs/dbraw/zinc/90/67/18/431906718.db2.gz KLOPYCHTQYNVQC-ROUUACIJSA-N 1 0 320.502 3.239 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1C ZINC000151783909 432275233 /nfs/dbraw/zinc/27/52/33/432275233.db2.gz NQHWHHLQLIYUIO-UHFFFAOYSA-N 1 0 316.367 3.079 20 10 DGCDRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183568981 432303700 /nfs/dbraw/zinc/30/37/00/432303700.db2.gz SRWVAQSFTSHIFW-DYVFJYSZSA-N 1 0 301.386 3.175 20 10 DGCDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183425995 432293327 /nfs/dbraw/zinc/29/33/27/432293327.db2.gz XCEVCMUTFLGSNU-AWEZNQCLSA-N 1 0 312.413 3.383 20 10 DGCDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccccc1O ZINC000183544339 432302478 /nfs/dbraw/zinc/30/24/78/432302478.db2.gz IVKJKFJGOTXFMM-CQSZACIVSA-N 1 0 302.393 3.314 20 10 DGCDRO CCNC(=O)C[N@H+](CC)Cc1cc(-c2ccccc2)ccc1O ZINC000271047345 432321495 /nfs/dbraw/zinc/32/14/95/432321495.db2.gz SDDIVCFDHORWST-UHFFFAOYSA-N 1 0 312.413 3.017 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC000271147412 432337210 /nfs/dbraw/zinc/33/72/10/432337210.db2.gz IJPSDMHHBSUBTL-UHFFFAOYSA-N 1 0 318.461 3.306 20 10 DGCDRO CCc1ccc([C@H](COC)[NH2+]Cc2cccc(OC)c2O)o1 ZINC000174481182 432350423 /nfs/dbraw/zinc/35/04/23/432350423.db2.gz URBZDILPWLLPCF-AWEZNQCLSA-N 1 0 305.374 3.034 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)c1O ZINC000271331575 432376493 /nfs/dbraw/zinc/37/64/93/432376493.db2.gz FQGDJBSWUDWAKD-XIKOKIGWSA-N 1 0 319.376 3.406 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000271440198 432396202 /nfs/dbraw/zinc/39/62/02/432396202.db2.gz RRJKIRJDOURHAF-UKRRQHHQSA-N 1 0 320.433 3.127 20 10 DGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000271461862 432400989 /nfs/dbraw/zinc/40/09/89/432400989.db2.gz JXFYGUGXIGMMHU-GHMZBOCLSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000271255741 432362794 /nfs/dbraw/zinc/36/27/94/432362794.db2.gz FZBXUXOYATZZOW-CQSZACIVSA-N 1 0 312.417 3.076 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)cc1 ZINC000271491089 432406859 /nfs/dbraw/zinc/40/68/59/432406859.db2.gz KUBCALNAESEEDC-RISCZKNCSA-N 1 0 304.356 3.107 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)c1 ZINC000184916168 432445403 /nfs/dbraw/zinc/44/54/03/432445403.db2.gz SWKUQKUKYGGNPG-GFCCVEGCSA-N 1 0 314.385 3.210 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(F)ccc1O ZINC000184984461 432453243 /nfs/dbraw/zinc/45/32/43/432453243.db2.gz CZVNAEGJMWDARV-ZDUSSCGKSA-N 1 0 315.392 3.377 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271512912 432411877 /nfs/dbraw/zinc/41/18/77/432411877.db2.gz NILWQJZOCOHSLV-KSSFIOAISA-N 1 0 316.420 3.146 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC000271640819 432421630 /nfs/dbraw/zinc/42/16/30/432421630.db2.gz DSYRLFOIGJJJOC-WMLDXEAASA-N 1 0 304.434 3.089 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccccc1O ZINC000271689735 432421825 /nfs/dbraw/zinc/42/18/25/432421825.db2.gz KAPLHWMKPCLYFM-FUHWJXTLSA-N 1 0 301.386 3.175 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1O ZINC000184711883 432424841 /nfs/dbraw/zinc/42/48/41/432424841.db2.gz CUXQQIHPRKUCMR-RISCZKNCSA-N 1 0 313.825 3.037 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000185214959 432478116 /nfs/dbraw/zinc/47/81/16/432478116.db2.gz MJMNTUFRVWTSCR-HNNXBMFYSA-N 1 0 318.461 3.388 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC(C)(C)C ZINC000185218011 432479666 /nfs/dbraw/zinc/47/96/66/432479666.db2.gz DJHKBUPALAPOAE-CHWSQXEVSA-N 1 0 318.461 3.225 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000185232425 432480690 /nfs/dbraw/zinc/48/06/90/432480690.db2.gz LNZLHXPXCQCHIB-LBPRGKRZSA-N 1 0 318.392 3.457 20 10 DGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185350542 432494479 /nfs/dbraw/zinc/49/44/79/432494479.db2.gz YHNCRXRWUDNDHA-LBPRGKRZSA-N 1 0 316.357 3.468 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000185442628 432500959 /nfs/dbraw/zinc/50/09/59/432500959.db2.gz YSYQAWHYVZFTNH-UONOGXRCSA-N 1 0 320.433 3.361 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000185468488 432504184 /nfs/dbraw/zinc/50/41/84/432504184.db2.gz RFLODBQJAXSQFW-FMTVUPSXSA-N 1 0 319.376 3.313 20 10 DGCDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185114326 432469171 /nfs/dbraw/zinc/46/91/71/432469171.db2.gz WRIHNFFBDLEBPR-JQWIXIFHSA-N 1 0 316.239 3.212 20 10 DGCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185129447 432470167 /nfs/dbraw/zinc/47/01/67/432470167.db2.gz YXORFANWWOHOKT-HOTGVXAUSA-N 1 0 315.413 3.100 20 10 DGCDRO Oc1ccccc1CN(Cc1cscn1)C[C@@H]1CCCO1 ZINC000176799392 432554244 /nfs/dbraw/zinc/55/42/44/432554244.db2.gz NUJUXTXEAMFPTN-HNNXBMFYSA-N 1 0 304.415 3.030 20 10 DGCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000186030031 432555179 /nfs/dbraw/zinc/55/51/79/432555179.db2.gz IKAQBBSDGANPMQ-STQMWFEESA-N 1 0 321.442 3.019 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cc(F)ccc1O ZINC000186166118 432565283 /nfs/dbraw/zinc/56/52/83/432565283.db2.gz FLUYDYBYOUISHH-KZULUSFZSA-N 1 0 301.361 3.016 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136236 432562062 /nfs/dbraw/zinc/56/20/62/432562062.db2.gz IXMSDKDPYGHRFX-GRDNDAEWSA-N 1 0 307.459 3.406 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cccc(OC(C)C)c2)c1O ZINC000263660326 432562719 /nfs/dbraw/zinc/56/27/19/432562719.db2.gz HFEVZMWAQNEYOU-UHFFFAOYSA-N 1 0 301.386 3.478 20 10 DGCDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000185582774 432513990 /nfs/dbraw/zinc/51/39/90/432513990.db2.gz UPKYNXXVGJZPMS-CYBMUJFWSA-N 1 0 309.381 3.085 20 10 DGCDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185676627 432522206 /nfs/dbraw/zinc/52/22/06/432522206.db2.gz LWEMJNRCXQATNL-GHMZBOCLSA-N 1 0 316.239 3.214 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000185812772 432535724 /nfs/dbraw/zinc/53/57/24/432535724.db2.gz KAACORXIBABBHC-PBHICJAKSA-N 1 0 310.397 3.157 20 10 DGCDRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185827251 432537159 /nfs/dbraw/zinc/53/71/59/432537159.db2.gz OAIAEYVYEDYWBO-PXAZEXFGSA-N 1 0 319.376 3.314 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1 ZINC000155086813 432538183 /nfs/dbraw/zinc/53/81/83/432538183.db2.gz KFQUXQSHGHUNLZ-QGZVFWFLSA-N 1 0 321.804 3.052 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000273463321 432602486 /nfs/dbraw/zinc/60/24/86/432602486.db2.gz INCQBXMISURDSZ-JFGNBEQYSA-N 1 0 314.223 3.373 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000273467165 432603066 /nfs/dbraw/zinc/60/30/66/432603066.db2.gz FAHJTUXWGVGPBL-SUMWQHHRSA-N 1 0 301.386 3.175 20 10 DGCDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186520009 432604103 /nfs/dbraw/zinc/60/41/03/432604103.db2.gz ZUMHXGQEXISFSZ-BMPPAVAUSA-N 1 0 314.223 3.132 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1C ZINC000274326427 432652657 /nfs/dbraw/zinc/65/26/57/432652657.db2.gz YHUKVOZPQMKJGW-VGSWGCGISA-N 1 0 317.454 3.213 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1c(O)cccc1Cl ZINC000227690921 432714189 /nfs/dbraw/zinc/71/41/89/432714189.db2.gz JFQNOGBZCHNVRQ-SNVBAGLBSA-N 1 0 314.813 3.048 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1F ZINC000275959126 432763393 /nfs/dbraw/zinc/76/33/93/432763393.db2.gz JZXLVGJGOSFQNO-SFHVURJKSA-N 1 0 306.425 3.283 20 10 DGCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C)cc3O)CC2)n[nH]1 ZINC000275987982 432765105 /nfs/dbraw/zinc/76/51/05/432765105.db2.gz YXIQCJPKBJLABZ-AWEZNQCLSA-N 1 0 314.433 3.052 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C(CC)(CC)CC(=O)OC)c1 ZINC000267223924 432824731 /nfs/dbraw/zinc/82/47/31/432824731.db2.gz DNFPIDHFAOAXEO-UHFFFAOYSA-N 1 0 309.406 3.002 20 10 DGCDRO Cc1noc(C[C@H]([NH2+]Cc2cc(C)ccc2O)c2ccccc2)n1 ZINC000277756633 432874454 /nfs/dbraw/zinc/87/44/54/432874454.db2.gz WTQDQCXYHDNKNO-KRWDZBQOSA-N 1 0 323.396 3.466 20 10 DGCDRO C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CC[S@@]1=O ZINC000277779336 432875574 /nfs/dbraw/zinc/87/55/74/432875574.db2.gz WOEOSHZJRSNSEW-ZHRRBRCNSA-N 1 0 320.502 3.020 20 10 DGCDRO COCCOc1ccccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296200080 432882318 /nfs/dbraw/zinc/88/23/18/432882318.db2.gz YXPNDJFPOXCKIH-INIZCTEOSA-N 1 0 313.397 3.195 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)CC2 ZINC000296240654 432887603 /nfs/dbraw/zinc/88/76/03/432887603.db2.gz ATCKIEUGYGVTPQ-GOEBONIOSA-N 1 0 303.789 3.356 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)CC2 ZINC000296247275 432888803 /nfs/dbraw/zinc/88/88/03/432888803.db2.gz BCEYGGXIDIWEES-HOCLYGCPSA-N 1 0 321.779 3.495 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C1CCC(O)(c3cccnc3)CC1)CC2 ZINC000296588555 432923203 /nfs/dbraw/zinc/92/32/03/432923203.db2.gz WSBPJEUXXXPUHG-OHTSDLOESA-N 1 0 324.424 3.195 20 10 DGCDRO CC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C ZINC000296571284 432923326 /nfs/dbraw/zinc/92/33/26/432923326.db2.gz SWXIDACTFLHHCO-KGLIPLIRSA-N 1 0 320.433 3.272 20 10 DGCDRO CC[N@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccc(N(C)C)cc1 ZINC000278989736 432923891 /nfs/dbraw/zinc/92/38/91/432923891.db2.gz QFFMXEUGDSECKF-CYBMUJFWSA-N 1 0 319.474 3.285 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000296781911 432926184 /nfs/dbraw/zinc/92/61/84/432926184.db2.gz LVVURSAKDYQCHH-HOCLYGCPSA-N 1 0 304.434 3.038 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOc1ccc(Cl)cn1)CC2 ZINC000296916204 432939112 /nfs/dbraw/zinc/93/91/12/432939112.db2.gz PMGUTPXHAYUIJV-ZDUSSCGKSA-N 1 0 304.777 3.097 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(N(C)C)cc1 ZINC000278913163 432915932 /nfs/dbraw/zinc/91/59/32/432915932.db2.gz GZYALINIOSFROP-YJBOKZPZSA-N 1 0 312.461 3.252 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC=C(c3ccncc3)C2)c1O ZINC000289634827 432970691 /nfs/dbraw/zinc/97/06/91/432970691.db2.gz MDNIBHQUPSBXGT-UHFFFAOYSA-N 1 0 310.397 3.475 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ncccc2N(C)C)cc1 ZINC000289722484 432972560 /nfs/dbraw/zinc/97/25/60/432972560.db2.gz GCQDAESCEYUHKL-UHFFFAOYSA-N 1 0 312.461 3.284 20 10 DGCDRO CCC[N@H+](CCc1ccccn1)Cc1cc(OC)ccc1O ZINC000289802330 432975065 /nfs/dbraw/zinc/97/50/65/432975065.db2.gz MVZWCDSOTYKXDW-UHFFFAOYSA-N 1 0 300.402 3.251 20 10 DGCDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000289915117 432978456 /nfs/dbraw/zinc/97/84/56/432978456.db2.gz VHVRPNVRUQAKPW-SWLSCSKDSA-N 1 0 324.852 3.113 20 10 DGCDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)OC ZINC000290017143 432982159 /nfs/dbraw/zinc/98/21/59/432982159.db2.gz CCRAPAZEHWEPKU-KOLCDFICSA-N 1 0 302.212 3.230 20 10 DGCDRO COCCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279900497 432998260 /nfs/dbraw/zinc/99/82/60/432998260.db2.gz LHBDDAXHVCLXFX-UHFFFAOYSA-N 1 0 304.356 3.288 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(NC(N)=O)cc1 ZINC000297581043 432998604 /nfs/dbraw/zinc/99/86/04/432998604.db2.gz HCXLWMASWJBAHC-XHDPSFHLSA-N 1 0 311.385 3.221 20 10 DGCDRO CC[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(C)cc1O ZINC000280028722 432998920 /nfs/dbraw/zinc/99/89/20/432998920.db2.gz HYFPYDXDIDBHFQ-NVXWUHKLSA-N 1 0 307.434 3.327 20 10 DGCDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000290192157 433009242 /nfs/dbraw/zinc/00/92/42/433009242.db2.gz FZOBUVLYGFIJMM-ZDUSSCGKSA-N 1 0 321.442 3.019 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(C)cc1O ZINC000280207916 433014837 /nfs/dbraw/zinc/01/48/37/433014837.db2.gz TXKWLLOXJFGKOI-INIZCTEOSA-N 1 0 304.434 3.144 20 10 DGCDRO C[C@@H](CCCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280287169 433028676 /nfs/dbraw/zinc/02/86/76/433028676.db2.gz NGANXQUWRXCLCU-NSHDSACASA-N 1 0 304.356 3.022 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1O ZINC000290347219 433036051 /nfs/dbraw/zinc/03/60/51/433036051.db2.gz FWECSNNYSJKZMH-HYVNUMGLSA-N 1 0 315.800 3.482 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)c1O ZINC000280544926 433079489 /nfs/dbraw/zinc/07/94/89/433079489.db2.gz DGHGLILZMAXPCV-KRWDZBQOSA-N 1 0 318.461 3.288 20 10 DGCDRO C=Cc1ccc(CC[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000291050450 433216028 /nfs/dbraw/zinc/21/60/28/433216028.db2.gz NCDXREZZGIJFPG-UHFFFAOYSA-N 1 0 313.397 3.385 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000291542614 433265567 /nfs/dbraw/zinc/26/55/67/433265567.db2.gz LKLVJNYKPSCJCE-DLBZAZTESA-N 1 0 305.418 3.180 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000281158236 433268064 /nfs/dbraw/zinc/26/80/64/433268064.db2.gz BGIJTGIURHAGRH-CYBMUJFWSA-N 1 0 317.458 3.477 20 10 DGCDRO COC[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000375096242 433361167 /nfs/dbraw/zinc/36/11/67/433361167.db2.gz DKJGWQIOAHIKLD-LBPRGKRZSA-N 1 0 313.825 3.303 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3nccs3)CC2)c(O)c1 ZINC000281648361 433336222 /nfs/dbraw/zinc/33/62/22/433336222.db2.gz PLQRFDHUNMQLGW-ZDUSSCGKSA-N 1 0 317.458 3.477 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(=O)N1CCCC1 ZINC000281782745 433378697 /nfs/dbraw/zinc/37/86/97/433378697.db2.gz XGZKXFAEFNFUHI-KBPBESRZSA-N 1 0 312.413 3.207 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1ccc(C)cc1O ZINC000375647668 433517342 /nfs/dbraw/zinc/51/73/42/433517342.db2.gz FKQXDQAUKITCCJ-WBVHZDCISA-N 1 0 311.429 3.397 20 10 DGCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc2ccccc2c1O ZINC000282315466 433562541 /nfs/dbraw/zinc/56/25/41/433562541.db2.gz NHNANVXMGUJPJN-LAJNKCICSA-N 1 0 303.427 3.107 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1O ZINC000283374796 433711134 /nfs/dbraw/zinc/71/11/34/433711134.db2.gz OHCUTICLQFDTSP-UWWQBHOKSA-N 1 0 319.445 3.001 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CSC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000283376160 433712325 /nfs/dbraw/zinc/71/23/25/433712325.db2.gz OJHGVBVBWSVBLX-BLLLJJGKSA-N 1 0 324.465 3.207 20 10 DGCDRO COc1ccc(N2CCC(Nc3ncncc3Cl)CC2)cc1 ZINC000302516165 433824395 /nfs/dbraw/zinc/82/43/95/433824395.db2.gz ALGVGDLNIRIGHB-UHFFFAOYSA-N 1 0 318.808 3.220 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)c(O)c1 ZINC000293630681 433805474 /nfs/dbraw/zinc/80/54/74/433805474.db2.gz HNORCKDQGKGDFM-JKSUJKDBSA-N 1 0 307.434 3.245 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293794845 433872146 /nfs/dbraw/zinc/87/21/46/433872146.db2.gz UPACSVFMBKLPKF-DZGCQCFKSA-N 1 0 306.450 3.212 20 10 DGCDRO Cc1cnn([C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)c1 ZINC000293835668 433886782 /nfs/dbraw/zinc/88/67/82/433886782.db2.gz GVJABBJADRWDSI-LBPRGKRZSA-N 1 0 309.772 3.137 20 10 DGCDRO COCc1nc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cs1 ZINC000293964312 433945288 /nfs/dbraw/zinc/94/52/88/433945288.db2.gz AGQOUDVUXCZVBH-GFCCVEGCSA-N 1 0 306.431 3.463 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cn1 ZINC000285400635 433936849 /nfs/dbraw/zinc/93/68/49/433936849.db2.gz XDRMGQDRQULCHZ-ZDUSSCGKSA-N 1 0 313.401 3.213 20 10 DGCDRO COC[C@]1(C)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000294122718 434001796 /nfs/dbraw/zinc/00/17/96/434001796.db2.gz DURQLAYEUGVFEZ-CQSZACIVSA-N 1 0 314.223 3.013 20 10 DGCDRO COCC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCOCC1 ZINC000294400758 434110664 /nfs/dbraw/zinc/11/06/64/434110664.db2.gz SLXKUSADJKTYQC-HNNXBMFYSA-N 1 0 307.434 3.103 20 10 DGCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294958582 434154069 /nfs/dbraw/zinc/15/40/69/434154069.db2.gz CJQIFHXIHQWOTR-AWEZNQCLSA-N 1 0 304.459 3.245 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c(O)c1 ZINC000363870180 434173477 /nfs/dbraw/zinc/17/34/77/434173477.db2.gz VZAMCFUWPHTVRF-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1O ZINC000364462551 434271676 /nfs/dbraw/zinc/27/16/76/434271676.db2.gz LYTYBVHIRBYMSN-INIZCTEOSA-N 1 0 305.418 3.182 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000370725249 434619120 /nfs/dbraw/zinc/61/91/20/434619120.db2.gz QKNRSEOBZYGNBZ-OAHLLOKOSA-N 1 0 305.418 3.039 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c1 ZINC000370376189 434610965 /nfs/dbraw/zinc/61/09/65/434610965.db2.gz XDDZTXHKNZYWNC-ACJLOTCBSA-N 1 0 312.413 3.238 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CN(C)Cc3ccccc32)c1O ZINC000361171391 434820008 /nfs/dbraw/zinc/82/00/08/434820008.db2.gz UHPWUVRWJLPEMY-KRWDZBQOSA-N 1 0 312.413 3.067 20 10 DGCDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccccc2O)OC)c1 ZINC000527920595 435017334 /nfs/dbraw/zinc/01/73/34/435017334.db2.gz NYSBLEYQLMETAZ-UGSOOPFHSA-N 1 0 301.386 3.439 20 10 DGCDRO CCc1cccc2c1N(C(=O)c1cccc3c1CC[NH2+]C3)CC2 ZINC000662548740 436361994 /nfs/dbraw/zinc/36/19/94/436361994.db2.gz KCJOVTYOYAGIMV-UHFFFAOYSA-N 1 0 306.409 3.098 20 10 DGCDRO CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1cccc(OC)c1 ZINC000662498694 436356749 /nfs/dbraw/zinc/35/67/49/436356749.db2.gz KOXXBCXOVQKEAB-UHFFFAOYSA-N 1 0 310.397 3.008 20 10 DGCDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185177713 333204892 /nfs/dbraw/zinc/20/48/92/333204892.db2.gz KURPUGOVVSJWJP-LBPRGKRZSA-N 1 0 316.376 3.132 20 10 DGCDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185177262 333204927 /nfs/dbraw/zinc/20/49/27/333204927.db2.gz NNPMCMSCINWFKU-CQSZACIVSA-N 1 0 312.413 3.301 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c(O)c1 ZINC000185184393 333205211 /nfs/dbraw/zinc/20/52/11/333205211.db2.gz ZLBQVIREFXGLIN-LSDHHAIUSA-N 1 0 312.413 3.056 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c(O)c1 ZINC000185184344 333205281 /nfs/dbraw/zinc/20/52/81/333205281.db2.gz ZLBQVIREFXGLIN-CABCVRRESA-N 1 0 312.413 3.056 20 10 DGCDRO CC(C)c1nc(C2CC[NH+](Cc3ccccc3O)CC2)no1 ZINC000272338230 334033496 /nfs/dbraw/zinc/03/34/96/334033496.db2.gz XZHQHKANSLPJNQ-UHFFFAOYSA-N 1 0 301.390 3.278 20 10 DGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2O)c(C)c1OC ZINC000286244085 334152218 /nfs/dbraw/zinc/15/22/18/334152218.db2.gz UBPTZHZYRHTVHE-CYBMUJFWSA-N 1 0 315.413 3.439 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)c(O)c1C ZINC000528001801 337779564 /nfs/dbraw/zinc/77/95/64/337779564.db2.gz PWUOJJHLIJFDGB-SUMWQHHRSA-N 1 0 310.397 3.223 20 10 DGCDRO C[C@H](CCO)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294918346 533972134 /nfs/dbraw/zinc/97/21/34/533972134.db2.gz AOPYNBGMQIZGTP-OAHLLOKOSA-N 1 0 318.486 3.493 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccnc2)c1O ZINC000181641942 518277648 /nfs/dbraw/zinc/27/76/48/518277648.db2.gz HSPXRRRCGINQOM-SNVBAGLBSA-N 1 0 304.777 3.494 20 10 DGCDRO CC(C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000129461007 519726906 /nfs/dbraw/zinc/72/69/06/519726906.db2.gz PSPABKVZPJIXKF-UHFFFAOYSA-N 1 0 302.340 3.040 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C12CCC2 ZINC000185551407 520434760 /nfs/dbraw/zinc/43/47/60/520434760.db2.gz XEDYHEJUJUTLFK-AFAVFJNCSA-N 1 0 305.418 3.399 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C3OCCO3)CC2)cc1 ZINC000130120185 520893042 /nfs/dbraw/zinc/89/30/42/520893042.db2.gz SOHVMYRMENMYMX-UHFFFAOYSA-N 1 0 318.461 3.118 20 10 DGCDRO CC[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000158293241 522587420 /nfs/dbraw/zinc/58/74/20/522587420.db2.gz WTFVONZCNDVGDV-SFHVURJKSA-N 1 0 300.450 3.160 20 10 DGCDRO COc1cc(N(C)CCC[NH+]2CCCCC2)cc(OC)c1OC ZINC000161239098 522618849 /nfs/dbraw/zinc/61/88/49/522618849.db2.gz DPOHVHNASFIYDJ-UHFFFAOYSA-N 1 0 322.449 3.025 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](CC)c1ccccc1O ZINC000156923405 522661256 /nfs/dbraw/zinc/66/12/56/522661256.db2.gz LSRDTWKYEBNVKO-HNNXBMFYSA-N 1 0 301.434 3.491 20 10 DGCDRO CO[C@H](C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000191204594 523884517 /nfs/dbraw/zinc/88/45/17/523884517.db2.gz NYRYPEDAEHJSAE-CQSZACIVSA-N 1 0 301.386 3.096 20 10 DGCDRO Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000180217973 524379845 /nfs/dbraw/zinc/37/98/45/524379845.db2.gz RMXIQKBXIQUVQQ-CYBMUJFWSA-N 1 0 308.422 3.046 20 10 DGCDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000156041257 524500912 /nfs/dbraw/zinc/50/09/12/524500912.db2.gz LWHWVBQDHMIGEF-CQSZACIVSA-N 1 0 315.413 3.472 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2cccc(F)c2)c1 ZINC000182366078 524769023 /nfs/dbraw/zinc/76/90/23/524769023.db2.gz MCDGARNMIWQNLE-LBPRGKRZSA-N 1 0 305.349 3.270 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)cc1C ZINC000267251122 525323289 /nfs/dbraw/zinc/32/32/89/525323289.db2.gz ZLEKLLVGRZDITA-UGSOOPFHSA-N 1 0 303.377 3.360 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000129050455 525428337 /nfs/dbraw/zinc/42/83/37/525428337.db2.gz FHERCNDYWQBVLK-MRXNPFEDSA-N 1 0 317.477 3.196 20 10 DGCDRO C[C@@H]([NH2+]CCOCC(F)F)c1ccc(Br)cc1O ZINC000188757194 525452228 /nfs/dbraw/zinc/45/22/28/525452228.db2.gz DDNMTUKRIWIRSB-MRVPVSSYSA-N 1 0 324.165 3.087 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCOC1 ZINC000157497914 525525581 /nfs/dbraw/zinc/52/55/81/525525581.db2.gz OGBBHVMRNPCBHD-AEFFLSMTSA-N 1 0 302.462 3.438 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000267061861 526337854 /nfs/dbraw/zinc/33/78/54/526337854.db2.gz PHLNRCIWRATYGC-GOSISDBHSA-N 1 0 315.438 3.017 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000180724226 526348035 /nfs/dbraw/zinc/34/80/35/526348035.db2.gz FYHYNKJRCWFPMC-UHFFFAOYSA-N 1 0 319.351 3.466 20 10 DGCDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(C)ccc1O)C2 ZINC000179531802 527085843 /nfs/dbraw/zinc/08/58/43/527085843.db2.gz VJRCWEUFBWRHOP-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO OCCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367596934 527537866 /nfs/dbraw/zinc/53/78/66/527537866.db2.gz AXLBKKPGHVXZFL-UHFFFAOYSA-N 1 0 310.441 3.111 20 10 DGCDRO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000189989415 527565144 /nfs/dbraw/zinc/56/51/44/527565144.db2.gz AZHJXBQJOWWIFO-PKOBYXMFSA-N 1 0 302.462 3.318 20 10 DGCDRO CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273624128 535452497 /nfs/dbraw/zinc/45/24/97/535452497.db2.gz ZWXLOTWHIUHQNP-CYBMUJFWSA-N 1 0 321.421 3.073 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000730807119 574536496 /nfs/dbraw/zinc/53/64/96/574536496.db2.gz NJLQLOSPNIQXIK-INIZCTEOSA-N 1 0 311.429 3.001 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)CN2CCCCC2)ccc1OC ZINC000731449109 574549616 /nfs/dbraw/zinc/54/96/16/574549616.db2.gz PCYWJAQZOISCGX-MRXNPFEDSA-N 1 0 320.477 3.196 20 10 DGCDRO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+](C)Cc1ccccc1O ZINC000731843867 574560331 /nfs/dbraw/zinc/56/03/31/574560331.db2.gz ZTEULFMVCHYVQR-HNNXBMFYSA-N 1 0 324.424 3.192 20 10 DGCDRO Oc1ccccc1C[N@H+](Cc1cn2cccnc2n1)C1CCCC1 ZINC000732204986 574568007 /nfs/dbraw/zinc/56/80/07/574568007.db2.gz WTWXVWFTAACZQQ-UHFFFAOYSA-N 1 0 322.412 3.380 20 10 DGCDRO CN(Cc1ccc(Cl)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410515 574573943 /nfs/dbraw/zinc/57/39/43/574573943.db2.gz CSKJIVDJDZFTEB-UHFFFAOYSA-N 1 0 319.836 3.312 20 10 DGCDRO COc1ccccc1OCC[NH2+]Cc1c(O)cccc1Cl ZINC000733323303 574615511 /nfs/dbraw/zinc/61/55/11/574615511.db2.gz TXGTWXBVLUQVIS-UHFFFAOYSA-N 1 0 307.777 3.223 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCN1CCc2ccccc21 ZINC000733325796 574615780 /nfs/dbraw/zinc/61/57/80/574615780.db2.gz SWILFBWWCHXCOO-UHFFFAOYSA-N 1 0 302.805 3.198 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](C2CCCCC2)N(C)C)cc1F ZINC000733324676 574615810 /nfs/dbraw/zinc/61/58/10/574615810.db2.gz SAECTCGZLGGWMY-IBGZPJMESA-N 1 0 321.484 3.492 20 10 DGCDRO CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)[NH+](CC)CC ZINC000736004372 574725690 /nfs/dbraw/zinc/72/56/90/574725690.db2.gz UCRKMZOICVJBMV-GOSISDBHSA-N 1 0 319.493 3.269 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](OC)C(F)(F)F)cc1F ZINC000740008199 574918321 /nfs/dbraw/zinc/91/83/21/574918321.db2.gz ZBKTYIIVEZTHBD-AWEZNQCLSA-N 1 0 322.346 3.339 20 10 DGCDRO CCN(CC)c1ccc(CN[C@@H](C)C[NH+](CC)CC)cc1F ZINC000740004541 574917851 /nfs/dbraw/zinc/91/78/51/574917851.db2.gz PIQFJUAICHJFBN-HNNXBMFYSA-N 1 0 309.473 3.492 20 10 DGCDRO Oc1ccccc1C[N@H+](CCOC[C@@H]1CCCO1)C1CCCC1 ZINC000741248692 574954167 /nfs/dbraw/zinc/95/41/67/574954167.db2.gz BDSRIBQNZFBXAM-SFHVURJKSA-N 1 0 319.445 3.332 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)C12CCCC2 ZINC000742390949 574995644 /nfs/dbraw/zinc/99/56/44/574995644.db2.gz WKLBOSWZXKEGGJ-HOTGVXAUSA-N 1 0 305.418 3.228 20 10 DGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)ccc1O ZINC000743499932 575054916 /nfs/dbraw/zinc/05/49/16/575054916.db2.gz QFKWBOMXMYDLIJ-ZWNOBZJWSA-N 1 0 316.239 3.041 20 10 DGCDRO Cc1ccc2nc(C[NH2+]Cc3cc(Cl)ccc3O)cn2c1 ZINC000729681045 575260106 /nfs/dbraw/zinc/26/01/06/575260106.db2.gz PUCFKEPAFLFDKI-UHFFFAOYSA-N 1 0 301.777 3.292 20 10 DGCDRO CCC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(C)C ZINC000746650631 575466104 /nfs/dbraw/zinc/46/61/04/575466104.db2.gz DGZIOJBLMYZQMN-UHFFFAOYSA-N 1 0 319.493 3.079 20 10 DGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000746753663 575473717 /nfs/dbraw/zinc/47/37/17/575473717.db2.gz GNMLPFGBCRXGOH-OLZOCXBDSA-N 1 0 314.223 3.202 20 10 DGCDRO COC(=O)/C(C)=C/C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000749115919 575628367 /nfs/dbraw/zinc/62/83/67/575628367.db2.gz MAOOXNDIEXIBSU-RVDMUPIBSA-N 1 0 304.434 3.082 20 10 DGCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccccn3)CC2)cc1 ZINC000750039558 575699268 /nfs/dbraw/zinc/69/92/68/575699268.db2.gz PVXCKMZECQMUSW-INIZCTEOSA-N 1 0 311.429 3.364 20 10 DGCDRO CCC[N@H+](Cc1occc1C(=O)OC)Cc1ccccc1O ZINC000750874711 575757096 /nfs/dbraw/zinc/75/70/96/575757096.db2.gz INIYNHBHFMPCHS-UHFFFAOYSA-N 1 0 303.358 3.184 20 10 DGCDRO CCC[N@H+](CC(=O)N(C)c1ccccc1)Cc1ccccc1O ZINC000750874694 575757109 /nfs/dbraw/zinc/75/71/09/575757109.db2.gz HBGIVDKQJLVIKM-UHFFFAOYSA-N 1 0 312.413 3.267 20 10 DGCDRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000725853826 575933214 /nfs/dbraw/zinc/93/32/14/575933214.db2.gz XVAPFYFTSCZNKM-UHFFFAOYSA-N 1 0 309.369 3.203 20 10 DGCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)c3ccccc3F)ccc21 ZINC000727644190 576135803 /nfs/dbraw/zinc/13/58/03/576135803.db2.gz RLWFFUKRQBWVOM-LJQANCHMSA-N 1 0 314.404 3.031 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000852790026 620648998 /nfs/dbraw/zinc/64/89/98/620648998.db2.gz NMKSEMVHTUCBNR-UHFFFAOYSA-N 1 0 323.440 3.066 20 10 DGCDRO CCC[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792692 620649025 /nfs/dbraw/zinc/64/90/25/620649025.db2.gz ZSTXDVYGZKCBHK-FHLIZLRMSA-N 1 0 317.477 3.085 20 10 DGCDRO CC(C)(C)c1cccc2c1OCCN2C(=O)C=C1CC[NH2+]CC1 ZINC000852890481 620654153 /nfs/dbraw/zinc/65/41/53/620654153.db2.gz NYTIUXQEYXHCEH-UHFFFAOYSA-N 1 0 314.429 3.019 20 10 DGCDRO CC(C)[C@H](CNCc1ccc2c(c1)CCO2)[NH+]1CCC(C)CC1 ZINC000917394709 620667038 /nfs/dbraw/zinc/66/70/38/620667038.db2.gz PGOCVPSQBAGRLA-IBGZPJMESA-N 1 0 316.489 3.468 20 10 DGCDRO C[N@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccccc1O ZINC000111236088 620685284 /nfs/dbraw/zinc/68/52/84/620685284.db2.gz XQGCJZMIUDOFSJ-UHFFFAOYSA-N 1 0 301.777 3.325 20 10 DGCDRO c1ccc2c(c1)CC[C@H]2C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000111390639 620705998 /nfs/dbraw/zinc/70/59/98/620705998.db2.gz XEUOBUKTAWUZTR-IBGZPJMESA-N 1 0 322.452 3.343 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853586035 620713065 /nfs/dbraw/zinc/71/30/65/620713065.db2.gz LRHYDHAUIPULFS-ZBFHGGJFSA-N 1 0 303.446 3.466 20 10 DGCDRO COc1cc(C[N@H+](C)CC2=CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000853561738 620709474 /nfs/dbraw/zinc/70/94/74/620709474.db2.gz PJSLHTSZRRHVPA-UHFFFAOYSA-N 1 0 319.445 3.477 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853585924 620712921 /nfs/dbraw/zinc/71/29/21/620712921.db2.gz LJTKOXVMFMVIIE-HIFRSBDPSA-N 1 0 319.445 3.167 20 10 DGCDRO COc1cc(C)cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1O ZINC000853624041 620717212 /nfs/dbraw/zinc/71/72/12/620717212.db2.gz LLAUNIJWPPRICQ-KDURUIRLSA-N 1 0 317.429 3.102 20 10 DGCDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000806132963 617669148 /nfs/dbraw/zinc/66/91/48/617669148.db2.gz DNEYRTOWOXCZOP-MJGOQNOKSA-N 1 0 302.462 3.174 20 10 DGCDRO CC[N@H+](Cc1cccs1)Cc1ccc(OC)c(OC)c1O ZINC000891511356 617820717 /nfs/dbraw/zinc/82/07/17/617820717.db2.gz URBXRWPISAPPJS-UHFFFAOYSA-N 1 0 307.415 3.493 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)cc1 ZINC000854058189 620765699 /nfs/dbraw/zinc/76/56/99/620765699.db2.gz HKJREKMPXBQJPZ-UHFFFAOYSA-N 1 0 312.461 3.071 20 10 DGCDRO COc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)c(O)c1OC ZINC000892003512 617943183 /nfs/dbraw/zinc/94/31/83/617943183.db2.gz BYTDTZHOEKOVCA-UHFFFAOYSA-N 1 0 317.360 3.107 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c(O)c1OC ZINC000892130319 617970415 /nfs/dbraw/zinc/97/04/15/617970415.db2.gz KBTRHAGCJKWNIM-INIZCTEOSA-N 1 0 313.397 3.226 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccn(C)n1)c1cc(Br)ccc1O ZINC000213179513 617974887 /nfs/dbraw/zinc/97/48/87/617974887.db2.gz UFEKCMYCGLBZKY-CYBMUJFWSA-N 1 0 324.222 3.129 20 10 DGCDRO COc1ccc(C[NH2+]CCSc2ccccc2)c(O)c1OC ZINC000892451678 618069156 /nfs/dbraw/zinc/06/91/56/618069156.db2.gz AYTZOSVGNRPJQG-UHFFFAOYSA-N 1 0 319.426 3.291 20 10 DGCDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2c1c(F)ccc2O ZINC000840886658 618129225 /nfs/dbraw/zinc/12/92/25/618129225.db2.gz KQHXSBSUPMVGRN-IGRCHAIXSA-N 1 0 315.335 3.218 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2F)c(O)c1OC ZINC000892659742 618129372 /nfs/dbraw/zinc/12/93/72/618129372.db2.gz VNILFPSKBIHJTP-LBPRGKRZSA-N 1 0 319.376 3.269 20 10 DGCDRO CCOc1ccccc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892663808 618129818 /nfs/dbraw/zinc/12/98/18/618129818.db2.gz XBWISOSQTMCOFY-UHFFFAOYSA-N 1 0 317.385 3.098 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c(O)c1OC ZINC000892680655 618136262 /nfs/dbraw/zinc/13/62/62/618136262.db2.gz QXDSRLYCBRCZFD-HNNXBMFYSA-N 1 0 317.360 3.326 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000840892557 618150062 /nfs/dbraw/zinc/15/00/62/618150062.db2.gz AXKAGKIAYJKZLB-LSDHHAIUSA-N 1 0 300.450 3.076 20 10 DGCDRO C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000854222665 620785494 /nfs/dbraw/zinc/78/54/94/620785494.db2.gz JRMGZJQRBDPZRN-SNVBAGLBSA-N 1 0 302.340 3.333 20 10 DGCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNCc2ccc3c(c2)CCO3)C1 ZINC000920181087 620789219 /nfs/dbraw/zinc/78/92/19/620789219.db2.gz XKQMONVKMYVDLZ-HZPDHXFCSA-N 1 0 316.489 3.468 20 10 DGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892743222 618298289 /nfs/dbraw/zinc/29/82/89/618298289.db2.gz LLSQGKIKFBGABM-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](c2ccccc2)N(C)C)c1O ZINC000894382607 618298509 /nfs/dbraw/zinc/29/85/09/618298509.db2.gz WTBTYKZNVJRPCK-QGZVFWFLSA-N 1 0 314.429 3.102 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@]2(C)Br)c1 ZINC000894503267 618359322 /nfs/dbraw/zinc/35/93/22/618359322.db2.gz ZRYAGBWTOAGEAO-PKFCDNJMSA-N 1 0 314.223 3.225 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1O ZINC000894573764 618391027 /nfs/dbraw/zinc/39/10/27/618391027.db2.gz WVXFFZZSMNQWHY-MRXNPFEDSA-N 1 0 313.397 3.062 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)c(O)c1OC ZINC000894664395 618415510 /nfs/dbraw/zinc/41/55/10/618415510.db2.gz UTMNIPFUJSJSOM-GFCCVEGCSA-N 1 0 315.360 3.325 20 10 DGCDRO COc1ccc(C[NH2+]Cc2nc(C(C)C)cs2)c(O)c1OC ZINC000893152325 618447593 /nfs/dbraw/zinc/44/75/93/618447593.db2.gz FWRXQCRFNNXIJP-UHFFFAOYSA-N 1 0 322.430 3.279 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c(C)c1 ZINC000893172752 618459476 /nfs/dbraw/zinc/45/94/76/618459476.db2.gz JCPQLKNDRMSUSG-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1O ZINC000894851840 618476434 /nfs/dbraw/zinc/47/64/34/618476434.db2.gz OWEUWFRAYIHBPD-HNNXBMFYSA-N 1 0 321.804 3.186 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1O ZINC000894863109 618481684 /nfs/dbraw/zinc/48/16/84/618481684.db2.gz QNESTEUCLYGGCI-GOSISDBHSA-N 1 0 317.429 3.100 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1O ZINC000894894144 618490853 /nfs/dbraw/zinc/49/08/53/618490853.db2.gz DEPAIYKLMZZXFP-AWEZNQCLSA-N 1 0 305.418 3.148 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c(O)c1OC ZINC000895009400 618510161 /nfs/dbraw/zinc/51/01/61/618510161.db2.gz WOKJCNBIAQRHSZ-YJBOKZPZSA-N 1 0 317.360 3.136 20 10 DGCDRO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000895155485 618557213 /nfs/dbraw/zinc/55/72/13/618557213.db2.gz IVJSNKFCTMBLSH-BXKDBHETSA-N 1 0 304.615 3.309 20 10 DGCDRO CC[C@@H](c1ccc(C)cc1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925751132 618594917 /nfs/dbraw/zinc/59/49/17/618594917.db2.gz KHEQNGLVCKKUAI-AWEZNQCLSA-N 1 0 317.458 3.125 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000840939277 618611620 /nfs/dbraw/zinc/61/16/20/618611620.db2.gz MKSVLJFKZLXGNW-FQEVSTJZSA-N 1 0 312.457 3.448 20 10 DGCDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893591841 618612516 /nfs/dbraw/zinc/61/25/16/618612516.db2.gz HYWALUFPRGODDU-SNVBAGLBSA-N 1 0 307.312 3.230 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000840970348 618646384 /nfs/dbraw/zinc/64/63/84/618646384.db2.gz PWVBQPIRAZDRMB-KRWDZBQOSA-N 1 0 305.418 3.038 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC000840975164 618651449 /nfs/dbraw/zinc/65/14/49/618651449.db2.gz DFQWMXVJESZAKW-ZDUSSCGKSA-N 1 0 320.868 3.169 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CC(F)(F)F)C(C)C)c(O)c1OC ZINC000893889962 618673265 /nfs/dbraw/zinc/67/32/65/618673265.db2.gz GUQSGIHEHFFHCA-LLVKDONJSA-N 1 0 321.339 3.476 20 10 DGCDRO COCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CC[C@H](C)C1 ZINC000893998784 618691861 /nfs/dbraw/zinc/69/18/61/618691861.db2.gz AEXJROOFRSSOLS-DZGCQCFKSA-N 1 0 323.433 3.046 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)c(O)c1 ZINC000894185234 618725926 /nfs/dbraw/zinc/72/59/26/618725926.db2.gz KKPMYPOEEJCEOH-NVXWUHKLSA-N 1 0 319.445 3.476 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCCCNc2ccccn2)c1O ZINC000894226012 618733949 /nfs/dbraw/zinc/73/39/49/618733949.db2.gz NIMDRYOFFMHTRF-UHFFFAOYSA-N 1 0 315.417 3.086 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C12CCC2 ZINC000894267604 618746362 /nfs/dbraw/zinc/74/63/62/618746362.db2.gz BAMJZJKHQFVESI-HOTGVXAUSA-N 1 0 305.418 3.147 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c1O ZINC000894331312 618765553 /nfs/dbraw/zinc/76/55/53/618765553.db2.gz FFXGEKHGCNMWNK-MRXNPFEDSA-N 1 0 307.434 3.394 20 10 DGCDRO CCOCCC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CCC1 ZINC000894352358 618770470 /nfs/dbraw/zinc/77/04/70/618770470.db2.gz SPQRJVYMKRONDX-UHFFFAOYSA-N 1 0 307.434 3.396 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](O)c2ccccc2)c1O ZINC000894365867 618772507 /nfs/dbraw/zinc/77/25/07/618772507.db2.gz AXVCKTAGIPNCBU-YOEHRIQHSA-N 1 0 315.413 3.311 20 10 DGCDRO CCOc1cccc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c1O ZINC000895657624 618812855 /nfs/dbraw/zinc/81/28/55/618812855.db2.gz BHQVLHDFGNAGKH-SFHVURJKSA-N 1 0 315.413 3.393 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC3(CCCCO3)CC2)c1O ZINC000895658712 618813160 /nfs/dbraw/zinc/81/31/60/618813160.db2.gz MRWCUFVSJWWAOO-UHFFFAOYSA-N 1 0 305.418 3.326 20 10 DGCDRO COc1ccc(C[NH2+]CC2CCC3(CC3)CC2)c(O)c1OC ZINC000895770217 618828866 /nfs/dbraw/zinc/82/88/66/618828866.db2.gz YQAQUELOHWYGSP-UHFFFAOYSA-N 1 0 305.418 3.469 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000895843815 618838184 /nfs/dbraw/zinc/83/81/84/618838184.db2.gz CRULTQHQPLETIY-RISCZKNCSA-N 1 0 311.809 3.055 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c(O)c1OC ZINC000895938910 618852085 /nfs/dbraw/zinc/85/20/85/618852085.db2.gz NCJKTSHOVFHOCV-AWEZNQCLSA-N 1 0 319.323 3.184 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(Nc3ccccn3)CC2)cc1C ZINC000896195861 618884219 /nfs/dbraw/zinc/88/42/19/618884219.db2.gz VDNBEFPMCASTTA-UHFFFAOYSA-N 1 0 311.429 3.481 20 10 DGCDRO Cc1nc([C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)no1 ZINC000896229810 618888985 /nfs/dbraw/zinc/88/89/85/618888985.db2.gz FWMUMEHBIDCFQR-NSHDSACASA-N 1 0 307.781 3.035 20 10 DGCDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000896491771 618918449 /nfs/dbraw/zinc/91/84/49/618918449.db2.gz AECJHFXTCKYPHI-GFCCVEGCSA-N 1 0 305.809 3.159 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(c3ccn(C)n3)CC2)cc1 ZINC000896495556 618920605 /nfs/dbraw/zinc/92/06/05/618920605.db2.gz PDLGQSNXGDEKSU-PLNGDYQASA-N 1 0 324.472 3.379 20 10 DGCDRO Cc1cccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c1O ZINC000896812376 618963065 /nfs/dbraw/zinc/96/30/65/618963065.db2.gz UMKMCSSQWLNPJP-OLZOCXBDSA-N 1 0 303.324 3.290 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000896820757 618964983 /nfs/dbraw/zinc/96/49/83/618964983.db2.gz BIODCTUUFFAHPO-BXUZGUMPSA-N 1 0 303.324 3.290 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000788978606 625311031 /nfs/dbraw/zinc/31/10/31/625311031.db2.gz VRTLMXNZKOAKBI-HNNXBMFYSA-N 1 0 318.383 3.326 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2nc3c(s2)COCC3)cc1Cl ZINC000897240103 619035735 /nfs/dbraw/zinc/03/57/35/619035735.db2.gz YLSDZHQTFLVXLH-UHFFFAOYSA-N 1 0 324.833 3.173 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccc(C)c2O)c(C)c1OC ZINC000897246375 619036769 /nfs/dbraw/zinc/03/67/69/619036769.db2.gz UERAKXRGRISAAX-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000897269875 619040150 /nfs/dbraw/zinc/04/01/50/619040150.db2.gz RCXFFKFXPOXGDW-OAHLLOKOSA-N 1 0 305.418 3.039 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3nc(C)cs3)C2)c1 ZINC000897299011 619048542 /nfs/dbraw/zinc/04/85/42/619048542.db2.gz QQSRPYDPSRPONZ-CYBMUJFWSA-N 1 0 318.442 3.230 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc2n(n1)CCC2 ZINC000840720555 619052027 /nfs/dbraw/zinc/05/20/27/619052027.db2.gz OCHFKJBVYXRYDA-CQSZACIVSA-N 1 0 310.445 3.063 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cnn(CC3CCC3)c2)c1O ZINC000897433212 619119090 /nfs/dbraw/zinc/11/90/90/619119090.db2.gz SBPAOVSYOZKKKK-UHFFFAOYSA-N 1 0 315.417 3.077 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c1O ZINC000897507929 619141004 /nfs/dbraw/zinc/14/10/04/619141004.db2.gz HRKCJSJCGFYTRM-UONOGXRCSA-N 1 0 311.809 3.101 20 10 DGCDRO OC1(C2(C[NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)CCC1 ZINC000897530442 619149936 /nfs/dbraw/zinc/14/99/36/619149936.db2.gz JPCDDGHQWSDANX-UHFFFAOYSA-N 1 0 314.473 3.462 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccon1)c1cc(Br)ccc1O ZINC000148710439 619171280 /nfs/dbraw/zinc/17/12/80/619171280.db2.gz UCHINJBCBXDBDS-LBPRGKRZSA-N 1 0 311.179 3.384 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CCOC23CCCCC3)c1O ZINC000897728724 619175478 /nfs/dbraw/zinc/17/54/78/619175478.db2.gz LPQKWTAKWGNIQM-INIZCTEOSA-N 1 0 305.418 3.372 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCOC23CCCCC3)c1O ZINC000897728725 619175557 /nfs/dbraw/zinc/17/55/57/619175557.db2.gz LPQKWTAKWGNIQM-MRXNPFEDSA-N 1 0 305.418 3.372 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCSC(C)(C)C2)c(O)c1OC ZINC000897790736 619182941 /nfs/dbraw/zinc/18/29/41/619182941.db2.gz ZIMRXGYJYLQLSD-LBPRGKRZSA-N 1 0 311.447 3.173 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@@H]2CCC(F)(F)C2)cc1OC ZINC000898017735 619206694 /nfs/dbraw/zinc/20/66/94/619206694.db2.gz RNRHIJNXIAHRDB-NSHDSACASA-N 1 0 315.360 3.325 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]CCC1CCC(F)(F)CC1)OCO2 ZINC000898031833 619207873 /nfs/dbraw/zinc/20/78/73/619207873.db2.gz PFQDTJNWWNDCRN-UHFFFAOYSA-N 1 0 313.344 3.426 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000898071737 619212954 /nfs/dbraw/zinc/21/29/54/619212954.db2.gz RDHMHEURMLZWDY-CYBMUJFWSA-N 1 0 318.442 3.312 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)cc1C ZINC000898167447 619219656 /nfs/dbraw/zinc/21/96/56/619219656.db2.gz FAHCVOUHMOGTHR-KRWDZBQOSA-N 1 0 323.440 3.389 20 10 DGCDRO CSCC(C)(C)[NH2+]Cc1cc(Br)ccc1O ZINC000898305964 619235495 /nfs/dbraw/zinc/23/54/95/619235495.db2.gz ZPHDIVIOZLJDTA-UHFFFAOYSA-N 1 0 304.253 3.386 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCOC1CCSCC1 ZINC000898441573 619276064 /nfs/dbraw/zinc/27/60/64/619276064.db2.gz VLYCXAWFXZXGGZ-UHFFFAOYSA-N 1 0 308.491 3.063 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCOC2CCSCC2)cc1 ZINC000898441694 619276361 /nfs/dbraw/zinc/27/63/61/619276361.db2.gz XGGFMEPHDXUVPG-ARJAWSKDSA-N 1 0 320.502 3.268 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000898516512 619283575 /nfs/dbraw/zinc/28/35/75/619283575.db2.gz UECUEHYAWNPEML-RDJZCZTQSA-N 1 0 319.445 3.430 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccncc1 ZINC000901705734 619533887 /nfs/dbraw/zinc/53/38/87/619533887.db2.gz GBNXLRWFUPKRTE-HNAYVOBHSA-N 1 0 312.461 3.101 20 10 DGCDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(Cl)c(Cl)cc1O ZINC000902466182 619641541 /nfs/dbraw/zinc/64/15/41/619641541.db2.gz JQDFEEUNTQEIIW-HYRRULHTSA-N 1 0 301.217 3.243 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000902488542 619646320 /nfs/dbraw/zinc/64/63/20/619646320.db2.gz YYUBCWUKVCNVEN-ZDSQKVDBSA-N 1 0 303.233 3.477 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000902488537 619646399 /nfs/dbraw/zinc/64/63/99/619646399.db2.gz YYUBCWUKVCNVEN-FWDPORAESA-N 1 0 303.233 3.477 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3CC[C@H]3OC)c2c1 ZINC000902639208 619660317 /nfs/dbraw/zinc/66/03/17/619660317.db2.gz PAKCXDYGFWQKMD-FUHWJXTLSA-N 1 0 301.386 3.163 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCOC[C@@H]2CC2CCOCC2)c1 ZINC000902670275 619662719 /nfs/dbraw/zinc/66/27/19/619662719.db2.gz NFIBMRLMDRFHJW-SFHVURJKSA-N 1 0 319.445 3.027 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2COc3ccccc3C2)c1 ZINC000902868235 619684598 /nfs/dbraw/zinc/68/45/98/619684598.db2.gz JZLHXXHKDKBGKN-BBRMVZONSA-N 1 0 313.397 3.130 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000903178768 619730931 /nfs/dbraw/zinc/73/09/31/619730931.db2.gz JIOZWHSLVQHVRW-PXWWUCIGSA-N 1 0 319.323 3.161 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN3CCSC[C@H]23)c(O)c1C ZINC000903272491 619750174 /nfs/dbraw/zinc/75/01/74/619750174.db2.gz UYLOVKYGPWXETF-USXIJHARSA-N 1 0 320.502 3.239 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)c2c1c(F)ccc2O ZINC000903323243 619755824 /nfs/dbraw/zinc/75/58/24/619755824.db2.gz DICBIDUZHWYMGZ-XPTSAGLGSA-N 1 0 313.332 3.406 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2cccc(F)c2)c1 ZINC000903308034 619756639 /nfs/dbraw/zinc/75/66/39/619756639.db2.gz GITNIGJPWXEZJR-UGSOOPFHSA-N 1 0 303.377 3.398 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@](C)(O)c2cccc(F)c2)c1O ZINC000903310294 619757348 /nfs/dbraw/zinc/75/73/48/619757348.db2.gz PQMODSVJHOHDFS-SGTLLEGYSA-N 1 0 319.376 3.098 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(F)c2)c(O)c1 ZINC000903310770 619757366 /nfs/dbraw/zinc/75/73/66/619757366.db2.gz QQEPNFJKKGSGND-SCLBCKFNSA-N 1 0 303.377 3.398 20 10 DGCDRO C[C@@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)c1cccc(F)c1 ZINC000903312297 619758146 /nfs/dbraw/zinc/75/81/46/619758146.db2.gz YQVFQDALIQHCSE-MAUKXSAKSA-N 1 0 301.361 3.016 20 10 DGCDRO CC[C@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1ccc(N(C)C)cc1 ZINC000903360695 619765180 /nfs/dbraw/zinc/76/51/80/619765180.db2.gz LSTJHHQMOOCCPA-OALUTQOASA-N 1 0 320.477 3.377 20 10 DGCDRO Cc1ccc([C@H](C)N[C@@H](CC[NH+](C)C)c2cccnc2)c(O)c1 ZINC000903379401 619768367 /nfs/dbraw/zinc/76/83/67/619768367.db2.gz GLAKDISMNUEMAK-YJBOKZPZSA-N 1 0 313.445 3.439 20 10 DGCDRO C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(F)cc1O ZINC000903380776 619768858 /nfs/dbraw/zinc/76/88/58/619768858.db2.gz PHVRYSKDKFLXLE-DYVFJYSZSA-N 1 0 317.408 3.270 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CCO)cc2)c2c1c(F)ccc2O ZINC000903404255 619770809 /nfs/dbraw/zinc/77/08/09/619770809.db2.gz YZPGHRWSWOTEPB-MLGOLLRUSA-N 1 0 315.388 3.404 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(Cl)cc1O ZINC000903390170 619770871 /nfs/dbraw/zinc/77/08/71/619770871.db2.gz PYVJDBRCXQDBPO-XHDPSFHLSA-N 1 0 311.809 3.034 20 10 DGCDRO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000903406453 619771713 /nfs/dbraw/zinc/77/17/13/619771713.db2.gz VOIOXWSWBVGNGK-KXBFYZLASA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)c2c1c(F)ccc2O ZINC000903441153 619775758 /nfs/dbraw/zinc/77/57/58/619775758.db2.gz YGNKJFQXSIWOHS-MIBCPZNCSA-N 1 0 313.372 3.328 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)C1)c1ccc(C)cc1O ZINC000903449747 619778579 /nfs/dbraw/zinc/77/85/79/619778579.db2.gz BKNFHYPTVYEAJQ-SQWLQELKSA-N 1 0 305.418 3.473 20 10 DGCDRO Cc1cccc(C)c1NC(=S)NCc1cc(N(C)C)cc[nH+]1 ZINC000905618852 620013343 /nfs/dbraw/zinc/01/33/43/620013343.db2.gz PIYWRWWEQWZNOL-UHFFFAOYSA-N 1 0 314.458 3.251 20 10 DGCDRO C[NH2+]CCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000911633302 620339507 /nfs/dbraw/zinc/33/95/07/620339507.db2.gz OYJYQOVAGVSGDX-UHFFFAOYSA-N 1 0 317.477 3.025 20 10 DGCDRO COc1cc(C)ccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000151022360 620417836 /nfs/dbraw/zinc/41/78/36/620417836.db2.gz INMPDAPQAWETMG-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1C(C)C ZINC000151114789 620423621 /nfs/dbraw/zinc/42/36/21/620423621.db2.gz WDOPFTUDKPAHKX-RBUKOAKNSA-N 1 0 319.445 3.204 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)Cn2ccnc2)cc1F ZINC000152117018 620492873 /nfs/dbraw/zinc/49/28/73/620492873.db2.gz HKBHINADQORKID-HNNXBMFYSA-N 1 0 318.440 3.294 20 10 DGCDRO CCC(CC)C(=O)N1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000914570008 620542661 /nfs/dbraw/zinc/54/26/61/620542661.db2.gz HTWPSTAEVXHJMY-UHFFFAOYSA-N 1 0 318.461 3.089 20 10 DGCDRO CC(C)[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000914581413 620543260 /nfs/dbraw/zinc/54/32/60/620543260.db2.gz CXEQFDSPVRHUMV-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCOC(C)(C)C)c1O ZINC000767906690 620873407 /nfs/dbraw/zinc/87/34/07/620873407.db2.gz VVDAFSAAECGWIP-UHFFFAOYSA-N 1 0 313.825 3.495 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921504914 620876248 /nfs/dbraw/zinc/87/62/48/620876248.db2.gz SMOZZCMPBVLDJA-UHFFFAOYSA-N 1 0 310.397 3.260 20 10 DGCDRO CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817979321 620897621 /nfs/dbraw/zinc/89/76/21/620897621.db2.gz JMRUBEBPHQOYOJ-CBAPKCEASA-N 1 0 321.646 3.196 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)c(OC)c1OC ZINC000113324267 620904223 /nfs/dbraw/zinc/90/42/23/620904223.db2.gz ALDSBPMJQOXARW-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO CC(=O)Nc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000113321777 620904505 /nfs/dbraw/zinc/90/45/05/620904505.db2.gz QHKWWPRZBGVOEK-UHFFFAOYSA-N 1 0 304.777 3.294 20 10 DGCDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921613777 620913814 /nfs/dbraw/zinc/91/38/14/620913814.db2.gz QTAAMKAGUJCODP-INIZCTEOSA-N 1 0 310.397 3.279 20 10 DGCDRO c1cc2c(cc1CNC1CC[NH+](C3CCC3)CC1)CCCO2 ZINC000921611453 620913980 /nfs/dbraw/zinc/91/39/80/620913980.db2.gz GLKSAYIYKSHACQ-UHFFFAOYSA-N 1 0 300.446 3.118 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](O)c1ccc(F)cc1 ZINC000921747983 620943515 /nfs/dbraw/zinc/94/35/15/620943515.db2.gz CASVHSIBFGGQNQ-YJYMSZOUSA-N 1 0 315.388 3.362 20 10 DGCDRO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756385563 620972210 /nfs/dbraw/zinc/97/22/10/620972210.db2.gz SGEFEFAGPKOOCW-ZDUSSCGKSA-N 1 0 301.434 3.253 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@H]1CCOC3(CCC3)C1)CCCO2 ZINC000922160759 620997629 /nfs/dbraw/zinc/99/76/29/620997629.db2.gz ZVBCVKXHNWEDDS-INIZCTEOSA-N 1 0 301.430 3.451 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1CCOC3(CCC3)C1)CCCO2 ZINC000922160760 620997692 /nfs/dbraw/zinc/99/76/92/620997692.db2.gz ZVBCVKXHNWEDDS-MRXNPFEDSA-N 1 0 301.430 3.451 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnn2C2CCC2)c1 ZINC000922217707 621007406 /nfs/dbraw/zinc/00/74/06/621007406.db2.gz VXRKBCMAXZDNGQ-GFCCVEGCSA-N 1 0 301.390 3.173 20 10 DGCDRO CCOc1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c(O)c1 ZINC000856806830 621024291 /nfs/dbraw/zinc/02/42/91/621024291.db2.gz JIUDTVRQUVMLTP-NSHDSACASA-N 1 0 304.217 3.464 20 10 DGCDRO CSC1CCC(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000922418984 621036656 /nfs/dbraw/zinc/03/66/56/621036656.db2.gz JQSSLXRDRDVMDJ-UHFFFAOYSA-N 1 0 309.431 3.132 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2nccc3c2CCCC3)c1O ZINC000922466852 621041996 /nfs/dbraw/zinc/04/19/96/621041996.db2.gz MNEXYXAXIYNANA-UHFFFAOYSA-N 1 0 312.413 3.355 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000922530698 621051148 /nfs/dbraw/zinc/05/11/48/621051148.db2.gz MRDBFNYNEHBTSN-PPUGGXLSSA-N 1 0 317.816 3.228 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2c(C)cc(C)nc2OC)c1O ZINC000857069205 621054437 /nfs/dbraw/zinc/05/44/37/621054437.db2.gz SYPINWDABRFMPX-UHFFFAOYSA-N 1 0 316.401 3.053 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Cl)c1cccc(F)c1 ZINC000922563845 621057691 /nfs/dbraw/zinc/05/76/91/621057691.db2.gz MLEWYMBNDQAZKP-INIZCTEOSA-N 1 0 309.768 3.182 20 10 DGCDRO CO[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCSC1 ZINC000922572858 621059063 /nfs/dbraw/zinc/05/90/63/621059063.db2.gz MBHHSWWENABNAO-GOSISDBHSA-N 1 0 320.502 3.289 20 10 DGCDRO COc1ccc(CN[C@@H](CC[NH+](C)C)c2cccnc2)cc1C ZINC000922632801 621070741 /nfs/dbraw/zinc/07/07/41/621070741.db2.gz WCUUJOPIIIEUDC-SFHVURJKSA-N 1 0 313.445 3.181 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]23CCC[C@H]2OCC3)cc1F ZINC000922696614 621083477 /nfs/dbraw/zinc/08/34/77/621083477.db2.gz MSWJDSHJFASHFG-IAGOWNOFSA-N 1 0 310.388 3.080 20 10 DGCDRO c1cc2c(cc1C[NH2+]CCc1nc3c(s1)CCC3)CCCO2 ZINC000922716870 621088922 /nfs/dbraw/zinc/08/89/22/621088922.db2.gz XDXCYPNJQRPNQD-UHFFFAOYSA-N 1 0 314.454 3.289 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1O ZINC000922813268 621102280 /nfs/dbraw/zinc/10/22/80/621102280.db2.gz PGAJPGFTRAFGCT-HNNXBMFYSA-N 1 0 305.418 3.372 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c(O)c1 ZINC000922814531 621102739 /nfs/dbraw/zinc/10/27/39/621102739.db2.gz XFKSXNXSLKIIIW-INIZCTEOSA-N 1 0 305.418 3.372 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCS1 ZINC000922837316 621106272 /nfs/dbraw/zinc/10/62/72/621106272.db2.gz SIFADIFUJCMQPG-UKRRQHHQSA-N 1 0 324.465 3.036 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC000922839325 621107751 /nfs/dbraw/zinc/10/77/51/621107751.db2.gz SHJHOWQNYXDHKU-PWSUYJOCSA-N 1 0 300.418 3.405 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1F ZINC000115629347 621119099 /nfs/dbraw/zinc/11/90/99/621119099.db2.gz ZXUBDBOJYHTALH-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)c(O)c1 ZINC000922893832 621121675 /nfs/dbraw/zinc/12/16/75/621121675.db2.gz JAQDLOBHCZYNOV-KRWDZBQOSA-N 1 0 303.406 3.011 20 10 DGCDRO Clc1ccc2c(n1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000857903082 621129492 /nfs/dbraw/zinc/12/94/92/621129492.db2.gz BTRJTRLQOPBEAT-CQSZACIVSA-N 1 0 300.789 3.447 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2([C@@H]3CCCCO3)CC2)cc1 ZINC000923028393 621149686 /nfs/dbraw/zinc/14/96/86/621149686.db2.gz PUYCTRVRDNYFGR-QWNKOJSDSA-N 1 0 300.446 3.457 20 10 DGCDRO COCc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858092044 621151400 /nfs/dbraw/zinc/15/14/00/621151400.db2.gz MFIKGYAGTPMHBH-UHFFFAOYSA-N 1 0 320.383 3.467 20 10 DGCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858134885 621156302 /nfs/dbraw/zinc/15/63/02/621156302.db2.gz JKRZULCLNQIARL-GOSISDBHSA-N 1 0 320.383 3.162 20 10 DGCDRO Cc1cc(C)c(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858174234 621161543 /nfs/dbraw/zinc/16/15/43/621161543.db2.gz PQCTXVKQLRZMNH-UHFFFAOYSA-N 1 0 305.372 3.332 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1F ZINC000858175554 621161675 /nfs/dbraw/zinc/16/16/75/621161675.db2.gz PVZLDTKOTQCTSD-LBPRGKRZSA-N 1 0 312.404 3.326 20 10 DGCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858185996 621162615 /nfs/dbraw/zinc/16/26/15/621162615.db2.gz NPHOFBUEDUBPPA-GFCCVEGCSA-N 1 0 305.372 3.147 20 10 DGCDRO COC1CC(CC[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858188378 621162930 /nfs/dbraw/zinc/16/29/30/621162930.db2.gz UTUFKPBNIXBNRC-UHFFFAOYSA-N 1 0 314.223 3.059 20 10 DGCDRO CCSC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858192897 621163662 /nfs/dbraw/zinc/16/36/62/621163662.db2.gz QBQAWRNSMUAEFF-UHFFFAOYSA-N 1 0 300.418 3.406 20 10 DGCDRO Fc1cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)ccc1N1CCOCC1 ZINC000858205135 621164598 /nfs/dbraw/zinc/16/45/98/621164598.db2.gz RTEGVCSSPXAVEJ-HYVNUMGLSA-N 1 0 318.436 3.188 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1 ZINC000858211696 621165144 /nfs/dbraw/zinc/16/51/44/621165144.db2.gz KYBSMJOWDQGBSX-RMUOZIPVSA-N 1 0 322.452 3.497 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cc1 ZINC000858221332 621165757 /nfs/dbraw/zinc/16/57/57/621165757.db2.gz GHDZAPBYEPRBKV-IBGZPJMESA-N 1 0 301.478 3.249 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(F)c(F)c2N(C)C)c1 ZINC000858239477 621167259 /nfs/dbraw/zinc/16/72/59/621167259.db2.gz NZUOESFAMBDDJZ-UHFFFAOYSA-N 1 0 306.356 3.335 20 10 DGCDRO CC(C)CC[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858241709 621167289 /nfs/dbraw/zinc/16/72/89/621167289.db2.gz YQETVYXDAPDJMT-LLVKDONJSA-N 1 0 316.239 3.041 20 10 DGCDRO CC(C)CC[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858241710 621167340 /nfs/dbraw/zinc/16/73/40/621167340.db2.gz YQETVYXDAPDJMT-NSHDSACASA-N 1 0 316.239 3.041 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000858245120 621167548 /nfs/dbraw/zinc/16/75/48/621167548.db2.gz CHNMUBOTCVZDLO-XOWYPZSQSA-N 1 0 301.478 3.087 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000858245116 621167729 /nfs/dbraw/zinc/16/77/29/621167729.db2.gz CHNMUBOTCVZDLO-JHTBKMLMSA-N 1 0 301.478 3.087 20 10 DGCDRO C1=CC[C@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000858271311 621170966 /nfs/dbraw/zinc/17/09/66/621170966.db2.gz BXWZUOITOQNZSB-KRWDZBQOSA-N 1 0 300.446 3.359 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000858297140 621172847 /nfs/dbraw/zinc/17/28/47/621172847.db2.gz BEYQVJAXRKUKCF-YOEHRIQHSA-N 1 0 319.445 3.355 20 10 DGCDRO O[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000858295490 621172913 /nfs/dbraw/zinc/17/29/13/621172913.db2.gz BRHDBZAIGVBZAK-PUZFROQSSA-N 1 0 322.452 3.110 20 10 DGCDRO COc1cc(C[NH2+]Cc2ccc[nH]c2=O)c(O)c(C(C)(C)C)c1 ZINC000858304838 621173160 /nfs/dbraw/zinc/17/31/60/621173160.db2.gz JPJWUKIARDRIMV-UHFFFAOYSA-N 1 0 316.401 3.089 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)c1cc[nH+]c(CO)c1 ZINC000858327088 621176181 /nfs/dbraw/zinc/17/61/81/621176181.db2.gz LCWMGZRDUXNEQZ-UHFFFAOYSA-N 1 0 311.429 3.201 20 10 DGCDRO CC1CCN(c2ccc(CNc3cc[nH+]c(CO)c3)cc2)CC1 ZINC000858403264 621186367 /nfs/dbraw/zinc/18/63/67/621186367.db2.gz ZGHVLNYKJVBYCF-UHFFFAOYSA-N 1 0 311.429 3.422 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(C)cc1O ZINC000858479360 621196213 /nfs/dbraw/zinc/19/62/13/621196213.db2.gz PQYWSQBNPANRNB-HIFRSBDPSA-N 1 0 312.404 3.471 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)c(O)c1 ZINC000858478706 621196260 /nfs/dbraw/zinc/19/62/60/621196260.db2.gz AIVVDRIHRNUGEJ-ZIAGYGMSSA-N 1 0 312.404 3.389 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000858505484 621199292 /nfs/dbraw/zinc/19/92/92/621199292.db2.gz LCORRNSTACVUME-JKOKRWQUSA-N 1 0 319.376 3.321 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000858532282 621202180 /nfs/dbraw/zinc/20/21/80/621202180.db2.gz IMPHVWVDEOOLFM-DNVCBOLYSA-N 1 0 301.478 3.420 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccns1 ZINC000858579946 621206919 /nfs/dbraw/zinc/20/69/19/621206919.db2.gz ZNOFDEUGMHCBHJ-UONOGXRCSA-N 1 0 317.458 3.392 20 10 DGCDRO COc1ccc(N2CCC[N@@H+](C3CC(OC(C)C)C3)CC2)cc1 ZINC000838798474 621278347 /nfs/dbraw/zinc/27/83/47/621278347.db2.gz GQCCKNVKVAJWAO-UHFFFAOYSA-N 1 0 318.461 3.163 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1 ZINC000859588509 621296004 /nfs/dbraw/zinc/29/60/04/621296004.db2.gz IWANKTZQCBTVLB-FQEVSTJZSA-N 1 0 310.441 3.236 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@H]1SC ZINC000838918639 621297998 /nfs/dbraw/zinc/29/79/98/621297998.db2.gz UAMPLBXTFFWAAM-KBAYOESNSA-N 1 0 320.502 3.068 20 10 DGCDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144638 621332277 /nfs/dbraw/zinc/33/22/77/621332277.db2.gz IUVFUSQDTIHVNE-PBHICJAKSA-N 1 0 324.415 3.326 20 10 DGCDRO CC1=CC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000839145870 621332292 /nfs/dbraw/zinc/33/22/92/621332292.db2.gz UMIBWPATVRGKKI-HNNXBMFYSA-N 1 0 322.399 3.390 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000839144619 621332460 /nfs/dbraw/zinc/33/24/60/621332460.db2.gz IHIBCLAXFQFOAB-CYBMUJFWSA-N 1 0 324.415 3.470 20 10 DGCDRO CC(C)C[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146263 621332920 /nfs/dbraw/zinc/33/29/20/621332920.db2.gz AYDARXJTKCDTHR-CYBMUJFWSA-N 1 0 312.404 3.326 20 10 DGCDRO Fc1cc(C[NH2+]Cc2ccccc2)cc(F)c1N1CCOCC1 ZINC000839146569 621333127 /nfs/dbraw/zinc/33/31/27/621333127.db2.gz MFADKFFMVIUETQ-UHFFFAOYSA-N 1 0 318.367 3.091 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)CCCc2cccnc2)c1O ZINC000839150963 621334045 /nfs/dbraw/zinc/33/40/45/621334045.db2.gz PEBSRNOZRBBBHR-AWEZNQCLSA-N 1 0 300.402 3.297 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CC(Cc2ccc(F)cc2)C1 ZINC000839135054 621339681 /nfs/dbraw/zinc/33/96/81/621339681.db2.gz UYRGXIALNYHZQT-UHFFFAOYSA-N 1 0 301.361 3.214 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1ccccc1O ZINC000839184894 621345072 /nfs/dbraw/zinc/34/50/72/621345072.db2.gz MGXAUILXSDWXTB-MAUKXSAKSA-N 1 0 315.413 3.218 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1O ZINC000839191661 621346888 /nfs/dbraw/zinc/34/68/88/621346888.db2.gz JCGKCYQEVLPUCR-RYUDHWBXSA-N 1 0 314.248 3.153 20 10 DGCDRO CCOc1cccc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000839192558 621347847 /nfs/dbraw/zinc/34/78/47/621347847.db2.gz KPINQLQZAUMTMZ-ZDUSSCGKSA-N 1 0 323.433 3.201 20 10 DGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000840822454 621380642 /nfs/dbraw/zinc/38/06/42/621380642.db2.gz UVWKCZLGDHUKMW-BHYNMZESSA-N 1 0 314.223 3.373 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)ccc1OC ZINC000753374171 621438335 /nfs/dbraw/zinc/43/83/35/621438335.db2.gz QGJZEXFVNDQAIJ-IRXDYDNUSA-N 1 0 307.434 3.135 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1O ZINC000753577381 621450383 /nfs/dbraw/zinc/45/03/83/621450383.db2.gz USAOUTTUXMMXGA-YGRLFVJLSA-N 1 0 314.223 3.120 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000753592951 621452126 /nfs/dbraw/zinc/45/21/26/621452126.db2.gz WJYRACNMHPZCBK-KRWDZBQOSA-N 1 0 301.361 3.493 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000753728561 621462045 /nfs/dbraw/zinc/46/20/45/621462045.db2.gz AICXTCJNYFNMNH-GFCCVEGCSA-N 1 0 310.401 3.185 20 10 DGCDRO c1ccc2nc(NCC[NH2+]Cc3ccc4c(c3)CCO4)ccc2c1 ZINC000754243881 621498797 /nfs/dbraw/zinc/49/87/97/621498797.db2.gz JACCSDVVGDPOMO-UHFFFAOYSA-N 1 0 319.408 3.371 20 10 DGCDRO CCC[N@H+](CC(=O)c1cc(C)n(C)c1C)Cc1ccccc1O ZINC000754642654 621522014 /nfs/dbraw/zinc/52/20/14/621522014.db2.gz XOVNVONVPJVULO-UHFFFAOYSA-N 1 0 314.429 3.442 20 10 DGCDRO COC1CCC([N@H+](C)Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862245253 621566715 /nfs/dbraw/zinc/56/67/15/621566715.db2.gz LKGQPBMDZDUKTJ-UHFFFAOYSA-N 1 0 312.404 3.420 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cnc3ccccc3n2)n1 ZINC000862281737 621571855 /nfs/dbraw/zinc/57/18/55/621571855.db2.gz UNVDFLQAEVHBRC-UHFFFAOYSA-N 1 0 316.455 3.358 20 10 DGCDRO COC[C@@H]1CCCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862333943 621575008 /nfs/dbraw/zinc/57/50/08/621575008.db2.gz PZQUTIURTXVINH-CYBMUJFWSA-N 1 0 312.404 3.279 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1F ZINC000862360259 621578286 /nfs/dbraw/zinc/57/82/86/621578286.db2.gz YWSWAUDSBQZJKU-RDJZCZTQSA-N 1 0 310.388 3.174 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1F ZINC000862360260 621578384 /nfs/dbraw/zinc/57/83/84/621578384.db2.gz YWSWAUDSBQZJKU-WBVHZDCISA-N 1 0 310.388 3.174 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1F ZINC000862384250 621582520 /nfs/dbraw/zinc/58/25/20/621582520.db2.gz SLNUBBDOWQUKMZ-XCRHUMRWSA-N 1 0 324.415 3.156 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C[C@H]1C ZINC000862386627 621582805 /nfs/dbraw/zinc/58/28/05/621582805.db2.gz WGROTKIENJMQOO-YGRLFVJLSA-N 1 0 314.223 3.012 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc(C3CC3)o2)cc1 ZINC000862403915 621585756 /nfs/dbraw/zinc/58/57/56/621585756.db2.gz XRZXIGCDDIZYMF-UHFFFAOYSA-N 1 0 315.417 3.129 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C3CC(F)(F)C3)C2)cc1 ZINC000862408062 621586104 /nfs/dbraw/zinc/58/61/04/621586104.db2.gz SHXOEFGKGFQUSJ-TZMCWYRMSA-N 1 0 310.388 3.297 20 10 DGCDRO C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000862483042 621594216 /nfs/dbraw/zinc/59/42/16/621594216.db2.gz NWPRVKASDNXRRB-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000862485140 621594963 /nfs/dbraw/zinc/59/49/63/621594963.db2.gz HSBDAWPSZCKOBZ-SWLSCSKDSA-N 1 0 323.408 3.331 20 10 DGCDRO Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862541532 621599186 /nfs/dbraw/zinc/59/91/86/621599186.db2.gz RWSSTBYSFUMUCC-ZDUSSCGKSA-N 1 0 308.422 3.046 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c(O)c1C ZINC000756355677 621630510 /nfs/dbraw/zinc/63/05/10/621630510.db2.gz QSJMBVNHCZRHFQ-IAGOWNOFSA-N 1 0 320.477 3.016 20 10 DGCDRO Cc1n[nH]cc1CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756398431 621635558 /nfs/dbraw/zinc/63/55/58/621635558.db2.gz GADXJZYNODZKHP-HZMBPMFUSA-N 1 0 303.381 3.334 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c2cnn3C)c2c1c(F)ccc2O ZINC000756403745 621635970 /nfs/dbraw/zinc/63/59/70/621635970.db2.gz QYQKQIFGOPJZOY-DDTOSNHZSA-N 1 0 315.392 3.480 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000756411366 621636399 /nfs/dbraw/zinc/63/63/99/621636399.db2.gz OSKCXZDGPLDQRL-ZNMIVQPWSA-N 1 0 306.450 3.314 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(Cl)ccc1O ZINC000756480589 621641103 /nfs/dbraw/zinc/64/11/03/621641103.db2.gz SKWMXXHAWUTVRS-NSHDSACASA-N 1 0 319.792 3.120 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCc3ccccc32)c1 ZINC000756482936 621641154 /nfs/dbraw/zinc/64/11/54/621641154.db2.gz LJEUHNRUZMEHBN-AWEZNQCLSA-N 1 0 312.413 3.114 20 10 DGCDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756496432 621642143 /nfs/dbraw/zinc/64/21/43/621642143.db2.gz HKXQPQACAUMWPP-PWSUYJOCSA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000756562081 621649122 /nfs/dbraw/zinc/64/91/22/621649122.db2.gz FTZAGCLPUXMWPZ-GJZGRUSLSA-N 1 0 315.413 3.249 20 10 DGCDRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000756562082 621649314 /nfs/dbraw/zinc/64/93/14/621649314.db2.gz FTZAGCLPUXMWPZ-HUUCEWRRSA-N 1 0 315.413 3.249 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)c1 ZINC000756585972 621651215 /nfs/dbraw/zinc/65/12/15/621651215.db2.gz OJQHYSQHIVQALT-BDJLRTHQSA-N 1 0 313.401 3.227 20 10 DGCDRO C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756592788 621651522 /nfs/dbraw/zinc/65/15/22/621651522.db2.gz VLQDOAIAPVBUAT-LRDDRELGSA-N 1 0 323.437 3.317 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(C)C ZINC000756596920 621651818 /nfs/dbraw/zinc/65/18/18/621651818.db2.gz ILYJRTJVICHDGC-GXFFZTMASA-N 1 0 316.239 3.476 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000756685506 621658415 /nfs/dbraw/zinc/65/84/15/621658415.db2.gz QPWUNWXEMVTBGY-ZDUSSCGKSA-N 1 0 318.461 3.226 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(F)ccc1O ZINC000756702575 621659232 /nfs/dbraw/zinc/65/92/32/621659232.db2.gz ARHLFMUGKLYKRB-NSHDSACASA-N 1 0 303.333 3.153 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c1 ZINC000756711477 621659602 /nfs/dbraw/zinc/65/96/02/621659602.db2.gz LCWXJEPPUDWCLD-SUNYJGFJSA-N 1 0 315.413 3.216 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756710076 621659708 /nfs/dbraw/zinc/65/97/08/621659708.db2.gz ABGHMLAIBZTLQW-ABAIWWIYSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756711485 621659833 /nfs/dbraw/zinc/65/98/33/621659833.db2.gz LIRBZSWNJWOPHT-XJKSGUPXSA-N 1 0 301.386 3.093 20 10 DGCDRO C[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1cc(F)ccc1O ZINC000756733552 621661373 /nfs/dbraw/zinc/66/13/73/621661373.db2.gz PXNWKKOZIRHILN-SNVBAGLBSA-N 1 0 317.339 3.408 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2O ZINC000756736448 621661655 /nfs/dbraw/zinc/66/16/55/621661655.db2.gz NWIMQEAFIMBAJS-NTZNESFSSA-N 1 0 320.408 3.069 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCCOC2CCOCC2)c2c1c(F)ccc2O ZINC000756734788 621661694 /nfs/dbraw/zinc/66/16/94/621661694.db2.gz ZNWOCXMHIKFWDK-SWLSCSKDSA-N 1 0 323.408 3.255 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(O)c1C ZINC000756764428 621662926 /nfs/dbraw/zinc/66/29/26/621662926.db2.gz IYWOCEYUKBNVRD-HZPDHXFCSA-N 1 0 319.445 3.388 20 10 DGCDRO C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(F)ccc1O ZINC000756768677 621663292 /nfs/dbraw/zinc/66/32/92/621663292.db2.gz FZYFXGYQBICMCX-NSHDSACASA-N 1 0 301.365 3.092 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c2c1c(F)ccc2O ZINC000756783445 621664437 /nfs/dbraw/zinc/66/44/37/621664437.db2.gz YWNAAJKEUBBBMM-MCTLKSGKSA-N 1 0 321.392 3.007 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)c(O)c1 ZINC000756997765 621678123 /nfs/dbraw/zinc/67/81/23/621678123.db2.gz YPNWAEBPIIGJJW-GOSISDBHSA-N 1 0 312.413 3.067 20 10 DGCDRO C[C@@H]1[NH2+]CC[C@H]1N[C@H](CCc1ccccc1)c1ccccc1O ZINC000863547232 621682896 /nfs/dbraw/zinc/68/28/96/621682896.db2.gz QDVIONHGYMPZDY-KFKAGJAMSA-N 1 0 310.441 3.406 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000839562909 621697099 /nfs/dbraw/zinc/69/70/99/621697099.db2.gz FMIAGCKEWGVREQ-LIRRHRJNSA-N 1 0 323.440 3.357 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000757653540 621731101 /nfs/dbraw/zinc/73/11/01/621731101.db2.gz JIHYGISANNIZBA-OCCSQVGLSA-N 1 0 307.365 3.423 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)cc1F ZINC000864053622 621732573 /nfs/dbraw/zinc/73/25/73/621732573.db2.gz XPDMBGJWYGBZGY-QZTJIDSGSA-N 1 0 324.415 3.468 20 10 DGCDRO CC1(C)OCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CO1 ZINC000758012232 621752615 /nfs/dbraw/zinc/75/26/15/621752615.db2.gz NDVNDBYZYRFTQG-UHFFFAOYSA-N 1 0 313.397 3.300 20 10 DGCDRO CCc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000758454432 621783425 /nfs/dbraw/zinc/78/34/25/621783425.db2.gz LPZROGJLDOJAPO-UHFFFAOYSA-N 1 0 316.474 3.069 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000758529673 621786584 /nfs/dbraw/zinc/78/65/84/621786584.db2.gz QOYIGPLBBMDPAP-MJGOQNOKSA-N 1 0 315.388 3.096 20 10 DGCDRO COc1c2ccccc2oc1C[NH2+]Cc1cc(OC)ccc1O ZINC000789584690 625530304 /nfs/dbraw/zinc/53/03/04/625530304.db2.gz TVKDSZJYJGLANC-UHFFFAOYSA-N 1 0 313.353 3.445 20 10 DGCDRO Cn1ccc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)n1 ZINC000760648293 621956072 /nfs/dbraw/zinc/95/60/72/621956072.db2.gz HRIJVSGYZQZLDT-UHFFFAOYSA-N 1 0 307.397 3.125 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865603824 621959926 /nfs/dbraw/zinc/95/99/26/621959926.db2.gz NAPCSSLUYDDHPS-HNNXBMFYSA-N 1 0 312.461 3.313 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nn(C)c3ccccc23)c1 ZINC000760899490 621972889 /nfs/dbraw/zinc/97/28/89/621972889.db2.gz YTCFPJAJWINGSS-GFCCVEGCSA-N 1 0 311.385 3.138 20 10 DGCDRO Cc1nocc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000865678215 621976765 /nfs/dbraw/zinc/97/67/65/621976765.db2.gz AOLZFSCQLKBPJN-UHFFFAOYSA-N 1 0 313.323 3.358 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865694634 621979107 /nfs/dbraw/zinc/97/91/07/621979107.db2.gz SZHAKFMKSBXLSL-HNULKUCHSA-N 1 0 312.457 3.190 20 10 DGCDRO C[NH+]1CCC(n2cc(NCc3c(O)cccc3Cl)cn2)CC1 ZINC000865703639 621980891 /nfs/dbraw/zinc/98/08/91/621980891.db2.gz LCIOYYGVNHSYRR-UHFFFAOYSA-N 1 0 320.824 3.121 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000865725807 621984083 /nfs/dbraw/zinc/98/40/83/621984083.db2.gz PJCUWRIAHJAADJ-UHFFFAOYSA-N 1 0 313.397 3.153 20 10 DGCDRO Fc1cc(C[NH2+]CC[C@@H]2CCCS2)ccc1N1CCOCC1 ZINC000865724902 621984116 /nfs/dbraw/zinc/98/41/16/621984116.db2.gz MRWRBCHNCJVEPX-HNNXBMFYSA-N 1 0 324.465 3.038 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc3c2CCOC3)cc1F ZINC000865725523 621984164 /nfs/dbraw/zinc/98/41/64/621984164.db2.gz KGCZPJYAHZEYFJ-UHFFFAOYSA-N 1 0 314.404 3.254 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccc2c1CCOC2 ZINC000865726227 621984566 /nfs/dbraw/zinc/98/45/66/621984566.db2.gz TXVWXNOBGSVPKN-UHFFFAOYSA-N 1 0 303.789 3.408 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1O ZINC000865762561 621990976 /nfs/dbraw/zinc/99/09/76/621990976.db2.gz QRMSYPOBRSUMMX-NVXWUHKLSA-N 1 0 305.418 3.086 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1O ZINC000761203200 621993568 /nfs/dbraw/zinc/99/35/68/621993568.db2.gz KWYNMPPILHLFIQ-RISCZKNCSA-N 1 0 311.809 3.055 20 10 DGCDRO COc1ccccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761220754 621995378 /nfs/dbraw/zinc/99/53/78/621995378.db2.gz KGKFFBKCOHZFLB-UHFFFAOYSA-N 1 0 314.429 3.272 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000761226439 621995668 /nfs/dbraw/zinc/99/56/68/621995668.db2.gz QBHGMIHNSILEHK-MRXNPFEDSA-N 1 0 302.462 3.391 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c(O)c1 ZINC000789593770 625532034 /nfs/dbraw/zinc/53/20/34/625532034.db2.gz VTVDUVXZFDVKIS-GOSISDBHSA-N 1 0 307.434 3.164 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1O ZINC000865832387 622003235 /nfs/dbraw/zinc/00/32/35/622003235.db2.gz OEETUOWZLYQBOQ-VXGBXAGGSA-N 1 0 301.308 3.388 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccc(C)cn2)c1O ZINC000789593740 625532292 /nfs/dbraw/zinc/53/22/92/625532292.db2.gz AGLGFZBZWZKZJB-UHFFFAOYSA-N 1 0 306.793 3.390 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)cc1C ZINC000865880467 622014770 /nfs/dbraw/zinc/01/47/70/622014770.db2.gz YGGXVLPWROPAJL-UHFFFAOYSA-N 1 0 312.413 3.273 20 10 DGCDRO O=c1[nH]c2c(cc1C[NH2+]Cc1c(O)cccc1Cl)CCCC2 ZINC000865878827 622014932 /nfs/dbraw/zinc/01/49/32/622014932.db2.gz BVECESQVVUBVBJ-UHFFFAOYSA-N 1 0 318.804 3.315 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000762462304 622077538 /nfs/dbraw/zinc/07/75/38/622077538.db2.gz VQGYIXIKIHOWTE-UHFFFAOYSA-N 1 0 307.434 3.474 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc2c1OCC2 ZINC000762620393 622087014 /nfs/dbraw/zinc/08/70/14/622087014.db2.gz ZXVIXRLZXDBVQW-FVQBIDKESA-N 1 0 307.484 3.091 20 10 DGCDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000866414649 622114133 /nfs/dbraw/zinc/11/41/33/622114133.db2.gz JINAAGQFLUMLME-CMPLNLGQSA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1cc(Cl)ccc1O ZINC000866424133 622115219 /nfs/dbraw/zinc/11/52/19/622115219.db2.gz CPDOCTRQZGGKIU-NWDGAFQWSA-N 1 0 313.825 3.485 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)c(O)c1 ZINC000866426807 622116268 /nfs/dbraw/zinc/11/62/68/622116268.db2.gz DWUCGZAOONZHGV-HIFRSBDPSA-N 1 0 307.434 3.449 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(N2CCCCC2)cc1 ZINC000866442046 622118587 /nfs/dbraw/zinc/11/85/87/622118587.db2.gz CKJYZHRMMZAETC-CJNGLKHVSA-N 1 0 312.404 3.344 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c2c1c(F)ccc2O ZINC000866447136 622120073 /nfs/dbraw/zinc/12/00/73/622120073.db2.gz ZDBLWWZOVMRZPC-KWJSBODPSA-N 1 0 303.377 3.093 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000016075999 622122384 /nfs/dbraw/zinc/12/23/84/622122384.db2.gz UDKJLTDJDPJWGG-BETUJISGSA-N 1 0 301.386 3.163 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000763453374 622146107 /nfs/dbraw/zinc/14/61/07/622146107.db2.gz RLOGVCJDRKHPLY-IEBWSBKVSA-N 1 0 315.388 3.096 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1 ZINC000763533070 622150304 /nfs/dbraw/zinc/15/03/04/622150304.db2.gz YYADCPKSIFBOFW-YOEHRIQHSA-N 1 0 307.434 3.474 20 10 DGCDRO Oc1cccc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)c1 ZINC000121644694 622169926 /nfs/dbraw/zinc/16/99/26/622169926.db2.gz KFGIVVBZGGZYNH-UHFFFAOYSA-N 1 0 318.804 3.073 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121850957 622186957 /nfs/dbraw/zinc/18/69/57/622186957.db2.gz GPJAIWHJSQEFLH-OTWHNJEPSA-N 1 0 314.473 3.498 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCC(=O)N(CC)CC)cc1 ZINC000764944396 622234925 /nfs/dbraw/zinc/23/49/25/622234925.db2.gz KAXORARBRNYERM-MRXNPFEDSA-N 1 0 319.493 3.442 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000764967363 622236613 /nfs/dbraw/zinc/23/66/13/622236613.db2.gz UFAAJAPZCXMRRW-OTWHNJEPSA-N 1 0 301.478 3.420 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000764967361 622236858 /nfs/dbraw/zinc/23/68/58/622236858.db2.gz UFAAJAPZCXMRRW-GBESFXJTSA-N 1 0 301.478 3.420 20 10 DGCDRO CCN(C)c1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000764966015 622236891 /nfs/dbraw/zinc/23/68/91/622236891.db2.gz WXRFIIRMTLKWMR-ZYSHUDEJSA-N 1 0 301.478 3.420 20 10 DGCDRO COC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765331706 622259904 /nfs/dbraw/zinc/25/99/04/622259904.db2.gz TZGBPCWDUMFFFO-WMZOPIPTSA-N 1 0 320.477 3.235 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765338074 622260270 /nfs/dbraw/zinc/26/02/70/622260270.db2.gz USHYQCCZQLIYQO-IHRRRGAJSA-N 1 0 308.853 3.483 20 10 DGCDRO CC[C@H]([NH2+]CCCN1CCCCC1=O)c1ccc(N(C)C)cc1 ZINC000765846827 622291009 /nfs/dbraw/zinc/29/10/09/622291009.db2.gz ZSMMVSUARNSMLU-SFHVURJKSA-N 1 0 317.477 3.196 20 10 DGCDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000765931749 622295116 /nfs/dbraw/zinc/29/51/16/622295116.db2.gz QONMMXRUQZOBFM-HNAYVOBHSA-N 1 0 302.462 3.489 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000766116893 622307367 /nfs/dbraw/zinc/30/73/67/622307367.db2.gz JAXFMSZDIXBPDO-NSHDSACASA-N 1 0 303.324 3.484 20 10 DGCDRO CC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 ZINC000766215394 622312859 /nfs/dbraw/zinc/31/28/59/622312859.db2.gz WXAYWKZYSBFSKO-UHFFFAOYSA-N 1 0 306.425 3.067 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)cc1 ZINC000766438403 622329501 /nfs/dbraw/zinc/32/95/01/622329501.db2.gz LEFNUDOJFFBEFW-CRAIPNDOSA-N 1 0 321.534 3.231 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C[C@@H]3CCOC3)CC2)cc1 ZINC000766583231 622340529 /nfs/dbraw/zinc/34/05/29/622340529.db2.gz RYHUVCCYLMUPHV-CVEARBPZSA-N 1 0 318.461 3.069 20 10 DGCDRO CC1(C)C[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC(C)(C)C1 ZINC000767516297 622403202 /nfs/dbraw/zinc/40/32/02/622403202.db2.gz QOSUJJARVDSRSK-HNNXBMFYSA-N 1 0 305.418 3.076 20 10 DGCDRO COc1cccc(O)c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000768241202 622447269 /nfs/dbraw/zinc/44/72/69/622447269.db2.gz NAYYSLWLZZRPON-UHFFFAOYSA-N 1 0 318.461 3.099 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000768441322 622456201 /nfs/dbraw/zinc/45/62/01/622456201.db2.gz YJTGURYHQVWLAB-UHFFFAOYSA-N 1 0 317.429 3.189 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](Cc1cccs1)C1CC1)[C@H](O)CO2 ZINC000768441232 622456226 /nfs/dbraw/zinc/45/62/26/622456226.db2.gz IMLUWCGVJIRMLC-MRXNPFEDSA-N 1 0 317.410 3.044 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccs1)[C@@H](O)CO2 ZINC000768442102 622456337 /nfs/dbraw/zinc/45/63/37/622456337.db2.gz OUXNDXDYGKQGSR-ZFWWWQNUSA-N 1 0 317.410 3.217 20 10 DGCDRO CC(C)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768463351 622458106 /nfs/dbraw/zinc/45/81/06/622458106.db2.gz HJJUMHVQEPPADC-GUYCJALGSA-N 1 0 305.418 3.076 20 10 DGCDRO COc1cc(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c(O)cc1C ZINC000768464896 622458260 /nfs/dbraw/zinc/45/82/60/622458260.db2.gz BYYIQSBONMXTDO-WMZOPIPTSA-N 1 0 307.434 3.345 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c(O)cc1C ZINC000768464173 622458305 /nfs/dbraw/zinc/45/83/05/622458305.db2.gz OAGUOJVDMFJPRA-SFHVURJKSA-N 1 0 305.418 3.102 20 10 DGCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466164 622458732 /nfs/dbraw/zinc/45/87/32/622458732.db2.gz NFANFDQTZVUFBO-SFHVURJKSA-N 1 0 302.462 3.187 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)Cc2cnn(C)c2)cc1F ZINC000768515373 622461058 /nfs/dbraw/zinc/46/10/58/622461058.db2.gz CAMWETQOMIEWQO-CQSZACIVSA-N 1 0 318.440 3.126 20 10 DGCDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000768530578 622462547 /nfs/dbraw/zinc/46/25/47/622462547.db2.gz LYHRKHUSGATHEM-MRXNPFEDSA-N 1 0 311.381 3.458 20 10 DGCDRO C[C@@H]([NH2+]C1CC(C(F)F)C1)c1ccc(N2CCOCC2)cc1 ZINC000768687201 622471061 /nfs/dbraw/zinc/47/10/61/622471061.db2.gz LZKCAKLSJCPYBC-LRVUVFPRSA-N 1 0 310.388 3.218 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(N(C)C)cc1 ZINC000768840612 622480232 /nfs/dbraw/zinc/48/02/32/622480232.db2.gz GEYFIHMLWAIKQU-HNAYVOBHSA-N 1 0 316.445 3.238 20 10 DGCDRO CN(C)c1ccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 ZINC000768979612 622489763 /nfs/dbraw/zinc/48/97/63/622489763.db2.gz DHXKRYSQZWQYDX-OALUTQOASA-N 1 0 321.468 3.321 20 10 DGCDRO Oc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)cc1 ZINC000769106877 622499050 /nfs/dbraw/zinc/49/90/50/622499050.db2.gz PZIJXFAHGJRIDZ-OAHLLOKOSA-N 1 0 313.353 3.164 20 10 DGCDRO CCOC(=O)CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)CC1CC1 ZINC000769122137 622500709 /nfs/dbraw/zinc/50/07/09/622500709.db2.gz NBXSGXUBBZIIKE-UHFFFAOYSA-N 1 0 322.424 3.057 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000769160526 622503507 /nfs/dbraw/zinc/50/35/07/622503507.db2.gz IEKUEFKDYQBPRB-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCCCNC1=O ZINC000769200760 622507622 /nfs/dbraw/zinc/50/76/22/622507622.db2.gz CNPDLXIUSWZLHS-SFHVURJKSA-N 1 0 324.424 3.160 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000769228994 622508758 /nfs/dbraw/zinc/50/87/58/622508758.db2.gz HPTNAODAKSFTFE-KRWDZBQOSA-N 1 0 319.468 3.342 20 10 DGCDRO COc1ccc([C@H]2CC[N@H+](Cc3c(O)cccc3OC)C2)cc1 ZINC000769246268 622510031 /nfs/dbraw/zinc/51/00/31/622510031.db2.gz ZBNAAKMOZWNBQD-HNNXBMFYSA-N 1 0 313.397 3.399 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cc1C ZINC000769328827 622518037 /nfs/dbraw/zinc/51/80/37/622518037.db2.gz COUFWXGJUUHJQS-GOSISDBHSA-N 1 0 324.424 3.246 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CC[NH+](C2CCC2)CC1 ZINC000769410828 622525592 /nfs/dbraw/zinc/52/55/92/622525592.db2.gz FHDPYINJMJKFJR-UHFFFAOYSA-N 1 0 313.489 3.347 20 10 DGCDRO FC(F)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769445179 622528370 /nfs/dbraw/zinc/52/83/70/622528370.db2.gz DDBVBJOTGBZANK-UHFFFAOYSA-N 1 0 310.388 3.000 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c1O ZINC000769471423 622531036 /nfs/dbraw/zinc/53/10/36/622531036.db2.gz UHPUGHQVPKIPNE-NXEZZACHSA-N 1 0 314.223 3.394 20 10 DGCDRO CCn1nc(C[NH2+]Cc2cc(OC)ccc2O)c2ccccc21 ZINC000769914708 622576039 /nfs/dbraw/zinc/57/60/39/622576039.db2.gz OCOAZHMKYUMVHW-UHFFFAOYSA-N 1 0 311.385 3.060 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000770374375 622625742 /nfs/dbraw/zinc/62/57/42/622625742.db2.gz MXFJSPUFQPRGLD-ZBFHGGJFSA-N 1 0 305.418 3.039 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)ccc1OC ZINC000770738330 622665790 /nfs/dbraw/zinc/66/57/90/622665790.db2.gz HBJWYSYFFCXQCU-ZBFHGGJFSA-N 1 0 307.434 3.136 20 10 DGCDRO CCOCC[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000771635372 622782924 /nfs/dbraw/zinc/78/29/24/622782924.db2.gz HKSPOKGRTFNCJT-UHFFFAOYSA-N 1 0 303.402 3.486 20 10 DGCDRO C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1cc(F)ccc1O ZINC000872109241 622811574 /nfs/dbraw/zinc/81/15/74/622811574.db2.gz JKHMPFJDPJYMQR-VIFPVBQESA-N 1 0 317.286 3.097 20 10 DGCDRO CC[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000872115552 622816901 /nfs/dbraw/zinc/81/69/01/622816901.db2.gz IFLDHWGUXKLVCV-NVXWUHKLSA-N 1 0 304.434 3.137 20 10 DGCDRO CCC[N@H+](CC)Cc1cc(Br)cc(OC)c1O ZINC000771935829 622819331 /nfs/dbraw/zinc/81/93/31/622819331.db2.gz ZVWHBUFLBLLMBP-UHFFFAOYSA-N 1 0 302.212 3.395 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(C(F)(F)F)cc1O ZINC000872125952 622821951 /nfs/dbraw/zinc/82/19/51/622821951.db2.gz ICLWJCONBGQJSC-GAFUQQFSSA-N 1 0 303.324 3.223 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1Cl ZINC000872253994 622867742 /nfs/dbraw/zinc/86/77/42/622867742.db2.gz OHNCXTYSMGKDCA-CYBMUJFWSA-N 1 0 305.752 3.210 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773012599 622966962 /nfs/dbraw/zinc/96/69/62/622966962.db2.gz WOMURQYWVNDYCB-FZKQIMNGSA-N 1 0 302.393 3.276 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOc2ncccc2F)cc1 ZINC000773083105 622980472 /nfs/dbraw/zinc/98/04/72/622980472.db2.gz KEXJWHSBBOGSPB-AWEZNQCLSA-N 1 0 317.408 3.406 20 10 DGCDRO COc1cc(C[NH+]2CCC(C(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000872798823 622981587 /nfs/dbraw/zinc/98/15/87/622981587.db2.gz SRVARWJTKMCTAI-UHFFFAOYSA-N 1 0 319.445 3.499 20 10 DGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000773325558 623012531 /nfs/dbraw/zinc/01/25/31/623012531.db2.gz HTJFIHTWWSGYKY-LJQANCHMSA-N 1 0 319.445 3.420 20 10 DGCDRO CCCOc1ccc(C[NH2+]C2CCC(C(=O)NC)CC2)cc1C ZINC000873025693 623020650 /nfs/dbraw/zinc/02/06/50/623020650.db2.gz FFOOWRJBJCPCIS-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC[S@@](=O)C(C)(C)C)cc1C ZINC000873053333 623026151 /nfs/dbraw/zinc/02/61/51/623026151.db2.gz ISFBMWNBNRJRLD-OAQYLSRUSA-N 1 0 311.491 3.421 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCCNC(=O)C(C)C)cc1C ZINC000873098068 623036051 /nfs/dbraw/zinc/03/60/51/623036051.db2.gz JGHYKHGBQUXRQR-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1C ZINC000873117181 623039218 /nfs/dbraw/zinc/03/92/18/623039218.db2.gz BYIZAQVEPAVQLN-SFHVURJKSA-N 1 0 318.461 3.132 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1Cn1cccn1 ZINC000873146866 623050195 /nfs/dbraw/zinc/05/01/95/623050195.db2.gz QBSCKBHOHOAJEP-GOSISDBHSA-N 1 0 311.429 3.362 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCC[C@H]2CCOC2=O)cc1C ZINC000873159356 623056403 /nfs/dbraw/zinc/05/64/03/623056403.db2.gz LDUPYEUGWKZGJZ-INIZCTEOSA-N 1 0 305.418 3.217 20 10 DGCDRO CCN(C)c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000773731350 623064690 /nfs/dbraw/zinc/06/46/90/623064690.db2.gz TVMOXSPDFFTSEE-LJQANCHMSA-N 1 0 301.478 3.203 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000873183371 623064729 /nfs/dbraw/zinc/06/47/29/623064729.db2.gz ITFHRLQQYQNBJD-NSHDSACASA-N 1 0 302.330 3.160 20 10 DGCDRO CCN(C)c1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000773747490 623066585 /nfs/dbraw/zinc/06/65/85/623066585.db2.gz GVWNBKZYBJIAOK-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO CCN(C)c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000773757566 623068383 /nfs/dbraw/zinc/06/83/83/623068383.db2.gz PWNNIACGFJQMGG-LJQANCHMSA-N 1 0 301.478 3.203 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)[C@H](O)c2ccccc2)c1 ZINC000873193200 623069747 /nfs/dbraw/zinc/06/97/47/623069747.db2.gz JSOVLRVBOFUYRJ-PKOBYXMFSA-N 1 0 315.413 3.393 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)CCC(=O)OC(C)(C)C)cc1 ZINC000773767175 623070780 /nfs/dbraw/zinc/07/07/80/623070780.db2.gz YJPIRKJCOKJQOM-UHFFFAOYSA-N 1 0 306.450 3.306 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCN(c3cc(C)ccn3)CC2)cc1 ZINC000773767138 623070821 /nfs/dbraw/zinc/07/08/21/623070821.db2.gz XSFMZJMMXJIBPO-UHFFFAOYSA-N 1 0 324.472 3.168 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1[O-] ZINC000873236156 623087034 /nfs/dbraw/zinc/08/70/34/623087034.db2.gz VHDRCZTYEQCRPQ-GOSISDBHSA-N 1 0 314.404 3.418 20 10 DGCDRO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000774483965 623151301 /nfs/dbraw/zinc/15/13/01/623151301.db2.gz NXTQKCXDIZJEQT-CVEARBPZSA-N 1 0 319.493 3.437 20 10 DGCDRO CC[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+](CC)CC ZINC000775406616 623270319 /nfs/dbraw/zinc/27/03/19/623270319.db2.gz YUIHIYMDNOBKQU-YOEHRIQHSA-N 1 0 305.466 3.050 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Cl)ccc1O ZINC000775487250 623278939 /nfs/dbraw/zinc/27/89/39/623278939.db2.gz LJQZLKGXMLIUMG-OAHLLOKOSA-N 1 0 318.804 3.385 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccccc1O ZINC000775491008 623279962 /nfs/dbraw/zinc/27/99/62/623279962.db2.gz XPTPDACUPFMNOM-YOEHRIQHSA-N 1 0 319.376 3.012 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)NC)c1cc(Cl)ccc1O ZINC000775524709 623283638 /nfs/dbraw/zinc/28/36/38/623283638.db2.gz GVFLPOKBEUGFIE-FPMFFAJLSA-N 1 0 310.825 3.001 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1cc(Cl)ccc1O ZINC000775524535 623284153 /nfs/dbraw/zinc/28/41/53/623284153.db2.gz BKJSYWLGYAPUNR-TZMCWYRMSA-N 1 0 310.825 3.096 20 10 DGCDRO CC[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Cl)ccc1O ZINC000775525987 623285131 /nfs/dbraw/zinc/28/51/31/623285131.db2.gz YVXJOAHTFFCECV-MMWSSPAHSA-N 1 0 310.825 3.130 20 10 DGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775554676 623288702 /nfs/dbraw/zinc/28/87/02/623288702.db2.gz CZTXJNRISVEXHI-OFQRWUPVSA-N 1 0 313.825 3.280 20 10 DGCDRO C[C@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)c2c1c(F)ccc2O ZINC000775554955 623288779 /nfs/dbraw/zinc/28/87/79/623288779.db2.gz QDPRQKHYKWTPDS-BJJXKVORSA-N 1 0 315.388 3.273 20 10 DGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775554764 623288816 /nfs/dbraw/zinc/28/88/16/623288816.db2.gz CZTXJNRISVEXHI-SQWLQELKSA-N 1 0 313.825 3.280 20 10 DGCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000775647946 623304079 /nfs/dbraw/zinc/30/40/79/623304079.db2.gz IWQVQUZDZLWBKP-LJQANCHMSA-N 1 0 310.441 3.407 20 10 DGCDRO COc1ccc(O)c(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000775659604 623307368 /nfs/dbraw/zinc/30/73/68/623307368.db2.gz YVFUUVRNJGGDNQ-ZOBUZTSGSA-N 1 0 318.461 3.238 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000775690301 623314324 /nfs/dbraw/zinc/31/43/24/623314324.db2.gz PRRMTNODMLLBNR-DGCLKSJQSA-N 1 0 323.742 3.242 20 10 DGCDRO CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775830421 623338708 /nfs/dbraw/zinc/33/87/08/623338708.db2.gz IEVYQERJSDSZFT-JKSUJKDBSA-N 1 0 319.493 3.488 20 10 DGCDRO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000775834515 623339177 /nfs/dbraw/zinc/33/91/77/623339177.db2.gz UMWFIEIZNLLJSF-HNNXBMFYSA-N 1 0 317.477 3.050 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775834716 623339445 /nfs/dbraw/zinc/33/94/45/623339445.db2.gz PIDMRCQTIPDWMY-RVKKMQEKSA-N 1 0 317.477 3.098 20 10 DGCDRO CN(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccsc1 ZINC000775879513 623345288 /nfs/dbraw/zinc/34/52/88/623345288.db2.gz PYRMAUVDHHRNDH-CQSZACIVSA-N 1 0 310.850 3.500 20 10 DGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775997425 623362240 /nfs/dbraw/zinc/36/22/40/623362240.db2.gz ASMWQYAPVBYOEU-WMLDXEAASA-N 1 0 306.425 3.283 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]CCOC(C)(C)C)c1O ZINC000776118236 623380862 /nfs/dbraw/zinc/38/08/62/623380862.db2.gz BTARDPZZTCSVHZ-UHFFFAOYSA-N 1 0 316.239 3.368 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000776154574 623383395 /nfs/dbraw/zinc/38/33/95/623383395.db2.gz AQWAGEYOGKGVHZ-KSZLIROESA-N 1 0 302.462 3.354 20 10 DGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC000776155170 623383416 /nfs/dbraw/zinc/38/34/16/623383416.db2.gz ZUGOQVRPWGAAAJ-ZTFGCOKTSA-N 1 0 302.462 3.436 20 10 DGCDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC000776155169 623383622 /nfs/dbraw/zinc/38/36/22/623383622.db2.gz ZUGOQVRPWGAAAJ-JCGIZDLHSA-N 1 0 302.462 3.436 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000776154575 623383748 /nfs/dbraw/zinc/38/37/48/623383748.db2.gz AQWAGEYOGKGVHZ-KURKYZTESA-N 1 0 302.462 3.354 20 10 DGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC000776155168 623383762 /nfs/dbraw/zinc/38/37/62/623383762.db2.gz ZUGOQVRPWGAAAJ-FHLIZLRMSA-N 1 0 302.462 3.436 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1O)C(C)C ZINC000776219345 623398679 /nfs/dbraw/zinc/39/86/79/623398679.db2.gz FQJBEUWCMAJKEI-ZDUSSCGKSA-N 1 0 316.239 3.224 20 10 DGCDRO CO[C@H](C[NH2+]Cc1cc(Br)cc(C)c1O)C(C)C ZINC000776219338 623398884 /nfs/dbraw/zinc/39/88/84/623398884.db2.gz FQJBEUWCMAJKEI-CYBMUJFWSA-N 1 0 316.239 3.224 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(OC(C)(C)C)n2)c1 ZINC000776253205 623401448 /nfs/dbraw/zinc/40/14/48/623401448.db2.gz KXTJNZINOURGQG-UHFFFAOYSA-N 1 0 316.401 3.263 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000776864623 623472673 /nfs/dbraw/zinc/47/26/73/623472673.db2.gz MIGNGHHZHWNFTG-ILXRZTDVSA-N 1 0 320.433 3.300 20 10 DGCDRO C[C@H]([NH2+]CCCn1cncn1)c1ccc(N2CCCCC2)cc1 ZINC000776972819 623480561 /nfs/dbraw/zinc/48/05/61/623480561.db2.gz BLVAEPKYHLFYFQ-INIZCTEOSA-N 1 0 313.449 3.009 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc(CF)cc3)CC2)cc1 ZINC000777538269 623537884 /nfs/dbraw/zinc/53/78/84/623537884.db2.gz IJZZSDWIFQHTSB-UHFFFAOYSA-N 1 0 314.404 3.487 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000790482735 625659268 /nfs/dbraw/zinc/65/92/68/625659268.db2.gz CFLWSXHJUBNEDZ-IRXDYDNUSA-N 1 0 312.461 3.302 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1O ZINC000876498026 623628542 /nfs/dbraw/zinc/62/85/42/623628542.db2.gz LQGBXZZJYJUVQH-ROUUACIJSA-N 1 0 324.424 3.172 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000876509398 623630091 /nfs/dbraw/zinc/63/00/91/623630091.db2.gz FNWBUSSPJQEJQK-UHFFFAOYSA-N 1 0 322.452 3.206 20 10 DGCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(C)cc2O)oc1C ZINC000876554663 623642547 /nfs/dbraw/zinc/64/25/47/623642547.db2.gz DELYIKRAPHUBIV-UHFFFAOYSA-N 1 0 303.358 3.021 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(O)c1 ZINC000876611798 623659060 /nfs/dbraw/zinc/65/90/60/623659060.db2.gz RYOYCFPVECWLCJ-CYBMUJFWSA-N 1 0 303.324 3.244 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000876638030 623666666 /nfs/dbraw/zinc/66/66/66/623666666.db2.gz ABQQTDCBXWONEF-PXNSSMCTSA-N 1 0 314.473 3.412 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(O)c1 ZINC000876719279 623688749 /nfs/dbraw/zinc/68/87/49/623688749.db2.gz HKFIBJKCVMEZDP-OAHLLOKOSA-N 1 0 318.461 3.075 20 10 DGCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876815126 623715039 /nfs/dbraw/zinc/71/50/39/623715039.db2.gz VAEQPPDYVPWALR-OAHLLOKOSA-N 1 0 305.418 3.256 20 10 DGCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876814312 623715166 /nfs/dbraw/zinc/71/51/66/623715166.db2.gz LOAMWJAVLLUPBT-OAHLLOKOSA-N 1 0 305.418 3.256 20 10 DGCDRO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1ccccc1O ZINC000779034576 623723694 /nfs/dbraw/zinc/72/36/94/623723694.db2.gz YOGUSDQNJYHDSE-DLBZAZTESA-N 1 0 317.429 3.336 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000779065013 623726691 /nfs/dbraw/zinc/72/66/91/623726691.db2.gz MMIJVHFBALWSNR-UHFFFAOYSA-N 1 0 302.324 3.484 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1cncc(F)c1)C[C@@H]1CCCO1 ZINC000779148076 623734843 /nfs/dbraw/zinc/73/48/43/623734843.db2.gz LZCKAWQOHRFVCK-KRWDZBQOSA-N 1 0 316.376 3.108 20 10 DGCDRO Cc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC000876893929 623738334 /nfs/dbraw/zinc/73/83/34/623738334.db2.gz JXIUEGDOHQKPNC-UHFFFAOYSA-N 1 0 310.441 3.455 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H](C(N)=O)C1 ZINC000779204457 623741785 /nfs/dbraw/zinc/74/17/85/623741785.db2.gz SNUXNQGTOZJVAE-KDOFPFPSSA-N 1 0 324.424 3.145 20 10 DGCDRO COc1cc2c(cc1C[NH2+]Cc1c(C)cccc1O)O[C@@H](C)C2 ZINC000876923785 623744660 /nfs/dbraw/zinc/74/46/60/623744660.db2.gz INQLKESITNUATK-ZDUSSCGKSA-N 1 0 313.397 3.322 20 10 DGCDRO COc1cccc(CC[NH2+]Cc2c(C)cccc2O)c1OC ZINC000876946640 623751566 /nfs/dbraw/zinc/75/15/66/623751566.db2.gz NHWUIZRTXMGYGE-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000876970209 623757395 /nfs/dbraw/zinc/75/73/95/623757395.db2.gz LGSLIDHCEVIJBQ-HNNXBMFYSA-N 1 0 314.404 3.456 20 10 DGCDRO Cc1nc2ccccc2nc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000876988135 623760579 /nfs/dbraw/zinc/76/05/79/623760579.db2.gz BNCOQKRUXBTBSY-UHFFFAOYSA-N 1 0 324.403 3.433 20 10 DGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000877017800 623767242 /nfs/dbraw/zinc/76/72/42/623767242.db2.gz IQPPBQBWBAELSU-CQSZACIVSA-N 1 0 315.413 3.439 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(OC)ns2)cc1F ZINC000877027956 623769173 /nfs/dbraw/zinc/76/91/73/623769173.db2.gz VTOIXUFFKPYYMY-UHFFFAOYSA-N 1 0 323.437 3.427 20 10 DGCDRO COC(=O)c1csc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000877030571 623769937 /nfs/dbraw/zinc/76/99/37/623769937.db2.gz GIOSOMMTQMEIRF-UHFFFAOYSA-N 1 0 318.442 3.199 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1O ZINC000779432574 623770371 /nfs/dbraw/zinc/77/03/71/623770371.db2.gz VVEMLHGJWBMYMM-UHFFFAOYSA-N 1 0 318.461 3.170 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CCc1csc(N2CCCC2)n1 ZINC000877056080 623777738 /nfs/dbraw/zinc/77/77/38/623777738.db2.gz IHLLTZKWXBMIEX-UHFFFAOYSA-N 1 0 317.458 3.090 20 10 DGCDRO CC(C)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877076587 623785158 /nfs/dbraw/zinc/78/51/58/623785158.db2.gz NYRQIBTWLRYKSV-UHFFFAOYSA-N 1 0 302.462 3.174 20 10 DGCDRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N)cc1 ZINC000877077778 623786045 /nfs/dbraw/zinc/78/60/45/623786045.db2.gz UJDRISBWUQHDMA-QGZVFWFLSA-N 1 0 323.440 3.144 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000877122017 623795660 /nfs/dbraw/zinc/79/56/60/623795660.db2.gz FJKBABNMMXNUMW-LRTDBIEQSA-N 1 0 303.427 3.289 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000877162556 623812120 /nfs/dbraw/zinc/81/21/20/623812120.db2.gz IOVIOOGGXTWFDP-HNNXBMFYSA-N 1 0 320.433 3.094 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000877189319 623822478 /nfs/dbraw/zinc/82/24/78/623822478.db2.gz MKWRILKFOFTHNQ-JSGCOSHPSA-N 1 0 324.415 3.413 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000877458976 623891697 /nfs/dbraw/zinc/89/16/97/623891697.db2.gz DHRXFDMUEILYNS-HIFRSBDPSA-N 1 0 317.351 3.274 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c(O)c1 ZINC000877463512 623894506 /nfs/dbraw/zinc/89/45/06/623894506.db2.gz DXPXVVLSNZMBQV-KRWDZBQOSA-N 1 0 316.445 3.114 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000877476511 623900693 /nfs/dbraw/zinc/90/06/93/623900693.db2.gz GJNGSYMHHCWZQS-IEBWSBKVSA-N 1 0 315.388 3.096 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000877478509 623901888 /nfs/dbraw/zinc/90/18/88/623901888.db2.gz NHCDHLLDZISZHA-UKRRQHHQSA-N 1 0 320.433 3.046 20 10 DGCDRO CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CCC1 ZINC000877492358 623910496 /nfs/dbraw/zinc/91/04/96/623910496.db2.gz WTNAKBDTMTYCBZ-UHFFFAOYSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2ccnc(OC)c2)c1 ZINC000877533381 623928977 /nfs/dbraw/zinc/92/89/77/623928977.db2.gz NUYUBUJZRBDJFH-QWHCGFSZSA-N 1 0 316.401 3.086 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000877538756 623932740 /nfs/dbraw/zinc/93/27/40/623932740.db2.gz DFFCNUZKPWLVOR-KRWDZBQOSA-N 1 0 303.427 3.340 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000877560848 623941466 /nfs/dbraw/zinc/94/14/66/623941466.db2.gz BWDWXOWUWZOEDU-HKUYNNGSSA-N 1 0 315.388 3.001 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC3(F)F)cc2)CC1 ZINC000877566405 623944902 /nfs/dbraw/zinc/94/49/02/623944902.db2.gz YMCQKGORSXGPAJ-HNNXBMFYSA-N 1 0 324.415 3.173 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C)C2)c1O ZINC000780579102 623954253 /nfs/dbraw/zinc/95/42/53/623954253.db2.gz ZDSLEYZVHPIHME-JOYOIKCWSA-N 1 0 314.223 3.442 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000877612287 623962259 /nfs/dbraw/zinc/96/22/59/623962259.db2.gz GPFPPLLKYCWUCN-HNNXBMFYSA-N 1 0 302.805 3.478 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCCC3CCC3)cc2)CC1 ZINC000877631913 623970815 /nfs/dbraw/zinc/97/08/15/623970815.db2.gz XSSMEHMEDGZEOM-UHFFFAOYSA-N 1 0 302.462 3.318 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000877640083 623974251 /nfs/dbraw/zinc/97/42/51/623974251.db2.gz ULTHGZAXLRVKPY-VXGBXAGGSA-N 1 0 303.324 3.242 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c(O)c1 ZINC000877666776 623984356 /nfs/dbraw/zinc/98/43/56/623984356.db2.gz BIFWXWYTHZGGOG-UHFFFAOYSA-N 1 0 313.397 3.210 20 10 DGCDRO CC1([NH+]2CCCC2)CCN(Cc2c(O)cccc2Cl)CC1 ZINC000877674089 623986806 /nfs/dbraw/zinc/98/68/06/623986806.db2.gz MPXSFBSSISDXPE-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO CCC1([NH+]2CCCC2)CCN(Cc2c(O)cccc2OC)CC1 ZINC000877675136 623988422 /nfs/dbraw/zinc/98/84/22/623988422.db2.gz WMRPUNGYJLWOTH-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO C[NH+]1CCC(n2cc(NCc3cccc(Cl)c3O)cn2)CC1 ZINC000877685687 623991889 /nfs/dbraw/zinc/99/18/89/623991889.db2.gz FJDDBIXGRZQUNM-UHFFFAOYSA-N 1 0 320.824 3.121 20 10 DGCDRO CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877697053 623994773 /nfs/dbraw/zinc/99/47/73/623994773.db2.gz GOOGYUZIMRNUPR-UHFFFAOYSA-N 1 0 312.404 3.271 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000877697154 623994796 /nfs/dbraw/zinc/99/47/96/623994796.db2.gz CXQHJMVWWVECRZ-UHFFFAOYSA-N 1 0 310.441 3.424 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC[C@@H]3CCCS3)cc2)CC1 ZINC000877697849 623995359 /nfs/dbraw/zinc/99/53/59/623995359.db2.gz NZOHXLIRSGNKKH-SFHVURJKSA-N 1 0 320.502 3.023 20 10 DGCDRO Cc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c(O)c1 ZINC000877715438 624003174 /nfs/dbraw/zinc/00/31/74/624003174.db2.gz YVVSVXHTYWMQHO-QGZVFWFLSA-N 1 0 309.413 3.080 20 10 DGCDRO CCc1oc(C[NH2+][C@H](C)c2ccccc2O)cc1C(=O)OC ZINC000877755601 624021680 /nfs/dbraw/zinc/02/16/80/624021680.db2.gz HSALYFAFVYHNNZ-LLVKDONJSA-N 1 0 303.358 3.185 20 10 DGCDRO COc1ccccc1[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877758517 624023939 /nfs/dbraw/zinc/02/39/39/624023939.db2.gz GQKYLFPFURRLLF-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877824307 624056239 /nfs/dbraw/zinc/05/62/39/624056239.db2.gz QZQWWUQRXACZOY-WFASDCNBSA-N 1 0 316.367 3.294 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000877827831 624059772 /nfs/dbraw/zinc/05/97/72/624059772.db2.gz UIONOZNFOWQGQD-LLVKDONJSA-N 1 0 302.330 3.160 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000878362561 624256875 /nfs/dbraw/zinc/25/68/75/624256875.db2.gz CWIJEVHNKZCKKV-WBVHZDCISA-N 1 0 319.445 3.409 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1O ZINC000782530793 624260435 /nfs/dbraw/zinc/26/04/35/624260435.db2.gz LZXDIFVVXBJACM-QGZVFWFLSA-N 1 0 314.360 3.370 20 10 DGCDRO CCOCOc1ccc(C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000782958525 624294861 /nfs/dbraw/zinc/29/48/61/624294861.db2.gz BSTCWRRGRYRPMZ-UHFFFAOYSA-N 1 0 317.385 3.063 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1O ZINC000805747637 624366353 /nfs/dbraw/zinc/36/63/53/624366353.db2.gz DPHJJQONTOSEJB-DOMZBBRYSA-N 1 0 305.805 3.300 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783594734 624372651 /nfs/dbraw/zinc/37/26/51/624372651.db2.gz IVQJURCBGDVBMO-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO Fc1cc(C[NH2+]C[C@@H]2CCCCS2)ccc1N1CCOCC1 ZINC000784615435 624558922 /nfs/dbraw/zinc/55/89/22/624558922.db2.gz HWLNZWFEHGDIBS-HNNXBMFYSA-N 1 0 324.465 3.038 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1ccccc1O ZINC000879648188 624621070 /nfs/dbraw/zinc/62/10/70/624621070.db2.gz CSROGGQQFUJDBS-OAHLLOKOSA-N 1 0 324.424 3.238 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1O ZINC000879649103 624622703 /nfs/dbraw/zinc/62/27/03/624622703.db2.gz IFGVGXHQCLTLMR-CABCVRRESA-N 1 0 318.461 3.328 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N1CCc2ccccc2C1 ZINC000879650067 624622992 /nfs/dbraw/zinc/62/29/92/624622992.db2.gz ZMQJLCVOWTUUQA-HUUCEWRRSA-N 1 0 324.424 3.016 20 10 DGCDRO C[C@H]([NH2+]CCOCCOc1ccccc1)c1ccccc1O ZINC000879651949 624624062 /nfs/dbraw/zinc/62/40/62/624624062.db2.gz QOTLABZUBFYGCQ-HNNXBMFYSA-N 1 0 301.386 3.138 20 10 DGCDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651705 624624219 /nfs/dbraw/zinc/62/42/19/624624219.db2.gz IAAKAYJHRGNITA-JKSUJKDBSA-N 1 0 315.413 3.100 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1ccccc1O ZINC000879650680 624624256 /nfs/dbraw/zinc/62/42/56/624624256.db2.gz NBWBUIBDRIARFK-HNNXBMFYSA-N 1 0 324.424 3.018 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(Cl)cn1 ZINC000879650974 624624539 /nfs/dbraw/zinc/62/45/39/624624539.db2.gz AOTGOOWKNDMBML-WDEREUQCSA-N 1 0 319.792 3.118 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1O ZINC000879650676 624624556 /nfs/dbraw/zinc/62/45/56/624624556.db2.gz NADNOHKUZIYUHJ-DZGCQCFKSA-N 1 0 304.434 3.080 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1ccccc1O ZINC000879652396 624626331 /nfs/dbraw/zinc/62/63/31/624626331.db2.gz COUGPMPODFGINX-CABCVRRESA-N 1 0 324.424 3.411 20 10 DGCDRO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000879652259 624626519 /nfs/dbraw/zinc/62/65/19/624626519.db2.gz BOTGZJPNQAIDDV-GJZGRUSLSA-N 1 0 312.413 3.484 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000785608983 624699528 /nfs/dbraw/zinc/69/95/28/624699528.db2.gz IIAXPWHDDGMKOC-QGZVFWFLSA-N 1 0 322.811 3.368 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)cc1 ZINC000880053997 624769183 /nfs/dbraw/zinc/76/91/83/624769183.db2.gz VXRNZLMTWRYLAL-HNNXBMFYSA-N 1 0 316.367 3.296 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ncnn2-c2ccccc2)c(O)c1 ZINC000786938021 624965907 /nfs/dbraw/zinc/96/59/07/624965907.db2.gz DNBASLBZGRKAOE-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C ZINC000787421490 625008596 /nfs/dbraw/zinc/00/85/96/625008596.db2.gz SGNGOPDWTUHEML-CRAIPNDOSA-N 1 0 316.445 3.060 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000787730775 625041790 /nfs/dbraw/zinc/04/17/90/625041790.db2.gz NEKJSIPNMPCAAS-CQSZACIVSA-N 1 0 310.388 3.253 20 10 DGCDRO CCn1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)c1=O ZINC000788605639 625225377 /nfs/dbraw/zinc/22/53/77/625225377.db2.gz BBEUQAHKRWOLMV-FZMZJTMJSA-N 1 0 316.376 3.051 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000130293642 625835491 /nfs/dbraw/zinc/83/54/91/625835491.db2.gz SFLQXPNDUJSRAR-AZUAARDMSA-N 1 0 312.457 3.397 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000130293411 625835820 /nfs/dbraw/zinc/83/58/20/625835820.db2.gz SFLQXPNDUJSRAR-ICSRJNTNSA-N 1 0 312.457 3.397 20 10 DGCDRO C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882892049 625848763 /nfs/dbraw/zinc/84/87/63/625848763.db2.gz LOMGWNCDFOTICL-CYBMUJFWSA-N 1 0 312.404 3.272 20 10 DGCDRO CCOc1cccc(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)c1O ZINC000792192314 625922968 /nfs/dbraw/zinc/92/29/68/625922968.db2.gz HQBYSARVRFZAAN-GOEBONIOSA-N 1 0 307.434 3.428 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2cc(C)c(C)cc2O)CCCC1 ZINC000792196509 625923639 /nfs/dbraw/zinc/92/36/39/625923639.db2.gz UUKRSGSQQOZMMU-UHFFFAOYSA-N 1 0 305.418 3.222 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2cc(Cl)ccc2O)CCCC1 ZINC000792194390 625923847 /nfs/dbraw/zinc/92/38/47/625923847.db2.gz CGNLRLMONBDKHH-UHFFFAOYSA-N 1 0 311.809 3.259 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(C)ccn3)CC2)cc1 ZINC000792209379 625927117 /nfs/dbraw/zinc/92/71/17/625927117.db2.gz UNUUUISFWAQZMB-UHFFFAOYSA-N 1 0 311.429 3.111 20 10 DGCDRO C[C@@H](O)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC000883157496 625947009 /nfs/dbraw/zinc/94/70/09/625947009.db2.gz AEBYVXNUVURICO-RFAUZJTJSA-N 1 0 311.303 3.021 20 10 DGCDRO COc1cccc(OC)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000796309743 626037559 /nfs/dbraw/zinc/03/75/59/626037559.db2.gz LAJCUFBYQRYRTK-UHFFFAOYSA-N 1 0 314.429 3.368 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)c1O ZINC000796492911 626056195 /nfs/dbraw/zinc/05/61/95/626056195.db2.gz YYXRHVVNSNVMRA-RDTXWAMCSA-N 1 0 315.413 3.311 20 10 DGCDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000796703703 626074777 /nfs/dbraw/zinc/07/47/77/626074777.db2.gz UIBDHQLCXNYVLE-SJLPKXTDSA-N 1 0 320.452 3.311 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000796819924 626086571 /nfs/dbraw/zinc/08/65/71/626086571.db2.gz XQVUDKNBELMSOA-SNVBAGLBSA-N 1 0 314.341 3.098 20 10 DGCDRO CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc(Cl)ccc1O ZINC000797029850 626106078 /nfs/dbraw/zinc/10/60/78/626106078.db2.gz BIZQUMQKASSZOE-CQSZACIVSA-N 1 0 313.825 3.018 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cc(F)ccc1O ZINC000797130986 626116754 /nfs/dbraw/zinc/11/67/54/626116754.db2.gz CWRFVIHNFDSKAG-YTEVENLXSA-N 1 0 321.417 3.261 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c(O)c1 ZINC000797134657 626117168 /nfs/dbraw/zinc/11/71/68/626117168.db2.gz VJQXCGUMMNGERB-PEBXRYMYSA-N 1 0 317.454 3.430 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c(O)c1 ZINC000797134652 626117331 /nfs/dbraw/zinc/11/73/31/626117331.db2.gz VJQXCGUMMNGERB-FPTDNZKUSA-N 1 0 317.454 3.430 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CC)c2ccc(C)cc2O)C1 ZINC000798003963 626188775 /nfs/dbraw/zinc/18/87/75/626188775.db2.gz UJCLRCSGLWNJLQ-IJEWVQPXSA-N 1 0 305.418 3.473 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000798002822 626188807 /nfs/dbraw/zinc/18/88/07/626188807.db2.gz SZPQTQJSTRUDTJ-KZVDOYCCSA-N 1 0 321.392 3.401 20 10 DGCDRO c1cnc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000798926079 626259819 /nfs/dbraw/zinc/25/98/19/626259819.db2.gz HTANADOMWCEZPE-LJQANCHMSA-N 1 0 323.440 3.085 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)CC2CCCC2)c1 ZINC000798938082 626261089 /nfs/dbraw/zinc/26/10/89/626261089.db2.gz RKEGAPBQRUQVFW-UKRRQHHQSA-N 1 0 307.434 3.240 20 10 DGCDRO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000799151091 626276327 /nfs/dbraw/zinc/27/63/27/626276327.db2.gz TVPONLHHTHVPOK-SFHVURJKSA-N 1 0 311.429 3.342 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000799719886 626323853 /nfs/dbraw/zinc/32/38/53/626323853.db2.gz CDGVURVHXIPNSJ-CYBMUJFWSA-N 1 0 308.381 3.139 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000799716463 626324125 /nfs/dbraw/zinc/32/41/25/626324125.db2.gz RXVSXYVKOPYWOT-HNNXBMFYSA-N 1 0 305.425 3.491 20 10 DGCDRO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000799732527 626325809 /nfs/dbraw/zinc/32/58/09/626325809.db2.gz ZZSVFPKFKOHVBS-QFBILLFUSA-N 1 0 312.457 3.397 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000799957355 626338030 /nfs/dbraw/zinc/33/80/30/626338030.db2.gz KVZJYPIRDHRKDL-UHFFFAOYSA-N 1 0 305.418 3.150 20 10 DGCDRO C[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCOC3)cc2Cl)C1 ZINC000800275423 626346784 /nfs/dbraw/zinc/34/67/84/626346784.db2.gz CCKADQOTONICIZ-HIFRSBDPSA-N 1 0 308.853 3.455 20 10 DGCDRO Cc1cccc(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)c1O ZINC000800545146 626367173 /nfs/dbraw/zinc/36/71/73/626367173.db2.gz WZNYAIHVAQKTSB-QXMHVHEDSA-N 1 0 324.424 3.010 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CCc3ccccc3OC2)c1O ZINC000800890604 626383220 /nfs/dbraw/zinc/38/32/20/626383220.db2.gz WYNNMWLKIVFHPT-INIZCTEOSA-N 1 0 313.397 3.274 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)ccc1N1CCOCC1 ZINC000800968129 626387164 /nfs/dbraw/zinc/38/71/64/626387164.db2.gz XQAHQCOIJXQIMH-FUHWJXTLSA-N 1 0 318.436 3.331 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)C[C@](C)(O)C(F)(F)F ZINC000801596206 626411352 /nfs/dbraw/zinc/41/13/52/626411352.db2.gz STCTWTBMWYZNGM-AWEZNQCLSA-N 1 0 305.340 3.308 20 10 DGCDRO CCCC[N@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1ccccc1O ZINC000801596077 626411387 /nfs/dbraw/zinc/41/13/87/626411387.db2.gz NYRSEXYPWAUDLU-MRXNPFEDSA-N 1 0 318.461 3.253 20 10 DGCDRO CCCC[N@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccccc1O ZINC000801598381 626411896 /nfs/dbraw/zinc/41/18/96/626411896.db2.gz YMGAEVVRTFLLSC-MRXNPFEDSA-N 1 0 318.461 3.395 20 10 DGCDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cc(F)ccc1O ZINC000802658261 626565910 /nfs/dbraw/zinc/56/59/10/626565910.db2.gz QFVOPNKZKNYOON-HNNXBMFYSA-N 1 0 305.324 3.456 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000802747941 626569291 /nfs/dbraw/zinc/56/92/91/626569291.db2.gz VNGMAAMKTINQPV-LBPRGKRZSA-N 1 0 315.360 3.209 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1C ZINC000883254900 626625469 /nfs/dbraw/zinc/62/54/69/626625469.db2.gz GEMZJSBSMWFOIP-QGZVFWFLSA-N 1 0 319.445 3.074 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)Cc2ccoc2)cc1 ZINC000883268901 626630351 /nfs/dbraw/zinc/63/03/51/626630351.db2.gz VTLSEJBQQAOBHY-GOSISDBHSA-N 1 0 316.445 3.067 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)cc1 ZINC000883275846 626632836 /nfs/dbraw/zinc/63/28/36/626632836.db2.gz BOULJYXMHITCQI-DOTOQJQBSA-N 1 0 316.445 3.238 20 10 DGCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)CC1 ZINC000883288759 626637591 /nfs/dbraw/zinc/63/75/91/626637591.db2.gz QAIHHVZLAPKLEB-NRFANRHFSA-N 1 0 321.468 3.216 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCC3(CCC3)O2)ccc1OC ZINC000883364355 626661992 /nfs/dbraw/zinc/66/19/92/626661992.db2.gz DOTCTQOSDMELLX-QGZVFWFLSA-N 1 0 319.445 3.423 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)OCCCO3)CCCC2 ZINC000840088533 626752783 /nfs/dbraw/zinc/75/27/83/626752783.db2.gz UBVLYSJLSOXAHY-UHFFFAOYSA-N 1 0 317.429 3.000 20 10 DGCDRO CC(C)[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCCO1 ZINC000840093999 626756209 /nfs/dbraw/zinc/75/62/09/626756209.db2.gz DXEGJTCBHXERDV-GOSISDBHSA-N 1 0 300.402 3.187 20 10 DGCDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(O)cc1C ZINC000840113467 626767714 /nfs/dbraw/zinc/76/77/14/626767714.db2.gz BKCWSNAANRMTDV-GVDBMIGSSA-N 1 0 319.445 3.225 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)CCC2 ZINC000840117935 626770305 /nfs/dbraw/zinc/77/03/05/626770305.db2.gz CKBSOATVDBTAGZ-RCCFBDPRSA-N 1 0 301.430 3.006 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OC)c(OC)c2C)c1 ZINC000808389832 626819877 /nfs/dbraw/zinc/81/98/77/626819877.db2.gz LFPOLWFTMOZOFI-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCNC(=O)c2ccco2)c1O ZINC000808673801 626848284 /nfs/dbraw/zinc/84/82/84/626848284.db2.gz UMSLWJOIEUTADU-NSHDSACASA-N 1 0 322.792 3.028 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)N2CCCCC2)c1O ZINC000808677520 626848302 /nfs/dbraw/zinc/84/83/02/626848302.db2.gz BGBMILPXQHZWCH-ZDUSSCGKSA-N 1 0 324.852 3.407 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)COCC(C)C)c1O ZINC000808679832 626848902 /nfs/dbraw/zinc/84/89/02/626848902.db2.gz BPHJZBNVLCGTDL-OCCSQVGLSA-N 1 0 315.841 3.038 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1O ZINC000808679830 626848979 /nfs/dbraw/zinc/84/89/79/626848979.db2.gz BPHJZBNVLCGTDL-GXTWGEPZSA-N 1 0 315.841 3.038 20 10 DGCDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808684488 626849551 /nfs/dbraw/zinc/84/95/51/626849551.db2.gz PCCMOOGNRPHHJJ-DCBWTQNWSA-N 1 0 324.852 3.309 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CC[S@@](C)=O)c1O ZINC000808706834 626851861 /nfs/dbraw/zinc/85/18/61/626851861.db2.gz VYUVASWAIVIZHU-RMDKCXRXSA-N 1 0 303.855 3.162 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CCC1 ZINC000808715995 626853045 /nfs/dbraw/zinc/85/30/45/626853045.db2.gz HENAVWCIJOKNKN-LBPRGKRZSA-N 1 0 324.852 3.311 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000134239284 626865854 /nfs/dbraw/zinc/86/58/54/626865854.db2.gz WTTSREGMOGXSGS-MRXNPFEDSA-N 1 0 311.429 3.077 20 10 DGCDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840151508 626871994 /nfs/dbraw/zinc/87/19/94/626871994.db2.gz GTKWPPDHYSMNMM-MRXNPFEDSA-N 1 0 320.477 3.310 20 10 DGCDRO OC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809551934 626919194 /nfs/dbraw/zinc/91/91/94/626919194.db2.gz KVOUNWRUIAGYBI-FQEVSTJZSA-N 1 0 322.452 3.206 20 10 DGCDRO CC[N@H+](CCCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809581769 626922373 /nfs/dbraw/zinc/92/23/73/626922373.db2.gz OOPFYGVGFJKOTI-UHFFFAOYSA-N 1 0 324.468 3.454 20 10 DGCDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cccc(OC)c1O ZINC000809642668 626931833 /nfs/dbraw/zinc/93/18/33/626931833.db2.gz JBRLHKGFHLSROL-KRWDZBQOSA-N 1 0 315.413 3.174 20 10 DGCDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809651834 626932604 /nfs/dbraw/zinc/93/26/04/626932604.db2.gz BFWLDROJCNYQGU-JXFKEZNVSA-N 1 0 322.452 3.204 20 10 DGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Cl)cc(C)c1O ZINC000809698530 626937758 /nfs/dbraw/zinc/93/77/58/626937758.db2.gz ZLHXRWJOPZGNSC-RLBTWZHOSA-N 1 0 307.821 3.209 20 10 DGCDRO Cc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000809724629 626942162 /nfs/dbraw/zinc/94/21/62/626942162.db2.gz SDBRNNAYCPFWKR-CZUORRHYSA-N 1 0 308.853 3.413 20 10 DGCDRO CN(C)CC[N@H+](CCc1ccccc1)Cc1cc(F)ccc1O ZINC000809730769 626942656 /nfs/dbraw/zinc/94/26/56/626942656.db2.gz DQJBWTUTQCEFSK-UHFFFAOYSA-N 1 0 316.420 3.138 20 10 DGCDRO C[NH+](C)CCN(Cc1ccccc1)Cc1cccc(F)c1O ZINC000809728074 626942750 /nfs/dbraw/zinc/94/27/50/626942750.db2.gz JJKKYXKELBJTCW-UHFFFAOYSA-N 1 0 302.393 3.095 20 10 DGCDRO C[C@H](CO)[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809744955 626945209 /nfs/dbraw/zinc/94/52/09/626945209.db2.gz AMCUKCQQDSYPJE-MRXNPFEDSA-N 1 0 310.441 3.062 20 10 DGCDRO Cc1cc(O)c(CN(CC[NH+](C)C)Cc2ccco2)cc1C ZINC000809745828 626945573 /nfs/dbraw/zinc/94/55/73/626945573.db2.gz GLVWWAKASDWXLD-UHFFFAOYSA-N 1 0 302.418 3.166 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1ccccn1)Cc1ccncc1 ZINC000809762458 626948359 /nfs/dbraw/zinc/94/83/59/626948359.db2.gz OTOVCWDIZWLJKI-UHFFFAOYSA-N 1 0 319.408 3.427 20 10 DGCDRO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2ccccc2O)C1 ZINC000809768833 626949946 /nfs/dbraw/zinc/94/99/46/626949946.db2.gz YDWBOKFBFQJMFO-GOEBONIOSA-N 1 0 315.438 3.393 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2COc3c(C)cccc3C2)c(O)c1 ZINC000810178007 626985092 /nfs/dbraw/zinc/98/50/92/626985092.db2.gz HQDIIMRRSIXDPF-INIZCTEOSA-N 1 0 313.397 3.193 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810228242 626989892 /nfs/dbraw/zinc/98/98/92/626989892.db2.gz DKEHMJFZLYLCSP-CYBMUJFWSA-N 1 0 313.323 3.385 20 10 DGCDRO CC[C@H]([NH2+]CC1(C)OCCO1)c1ccc(C(F)(F)F)cc1O ZINC000810229112 626989986 /nfs/dbraw/zinc/98/99/86/626989986.db2.gz SGTFMBVWXDKWHC-LBPRGKRZSA-N 1 0 319.323 3.215 20 10 DGCDRO Cc1nnc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)s1 ZINC000810243369 626992068 /nfs/dbraw/zinc/99/20/68/626992068.db2.gz NQQPUMQTCQXDJR-KWQFWETISA-N 1 0 307.394 3.072 20 10 DGCDRO CSC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC[NH+](C)CC1 ZINC000810252273 626993368 /nfs/dbraw/zinc/99/33/68/626993368.db2.gz MWPCSTKFGPUWIL-LBPRGKRZSA-N 1 0 312.454 3.009 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885960104 627070086 /nfs/dbraw/zinc/07/00/86/627070086.db2.gz GXZWXGQZCYOAIF-HKUYNNGSSA-N 1 0 302.462 3.390 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c(O)c1 ZINC000886317929 627136088 /nfs/dbraw/zinc/13/60/88/627136088.db2.gz FAYJVLXGIUCFTB-MRXNPFEDSA-N 1 0 305.418 3.230 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cc1C ZINC000886340932 627139858 /nfs/dbraw/zinc/13/98/58/627139858.db2.gz NHNKGEKVRGSDAW-IIHSZXCVSA-N 1 0 319.445 3.066 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(C)CCOC2(CCC2)C1 ZINC000886344812 627141014 /nfs/dbraw/zinc/14/10/14/627141014.db2.gz LSVOESVAXPPVDW-KRWDZBQOSA-N 1 0 305.418 3.230 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCc3c1cccc3F)OCO2 ZINC000886362802 627143223 /nfs/dbraw/zinc/14/32/23/627143223.db2.gz NYTZRRPZTGSPEK-AWEZNQCLSA-N 1 0 301.317 3.037 20 10 DGCDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000138430483 627171276 /nfs/dbraw/zinc/17/12/76/627171276.db2.gz QUNYNFVHYKVFLY-KRWDZBQOSA-N 1 0 312.461 3.298 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2F)c1 ZINC000886674093 627186380 /nfs/dbraw/zinc/18/63/80/627186380.db2.gz GNZIGYJWMAKPGT-DZGCQCFKSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c(O)c1 ZINC000886676513 627187410 /nfs/dbraw/zinc/18/74/10/627187410.db2.gz IIHJHHFQNVBIJL-BBRMVZONSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)ccc1N(C)C ZINC000886688551 627190468 /nfs/dbraw/zinc/19/04/68/627190468.db2.gz VCVHKGHCEZNJTO-QGZVFWFLSA-N 1 0 310.445 3.231 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(N(C)C)cc1 ZINC000886761979 627200713 /nfs/dbraw/zinc/20/07/13/627200713.db2.gz OJPOHXDGMJDQBL-OHDICMOHSA-N 1 0 318.461 3.130 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c1 ZINC000886764667 627202039 /nfs/dbraw/zinc/20/20/39/627202039.db2.gz YBNQQCIFBCUFQV-LDDOYCOJSA-N 1 0 305.418 3.078 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1ccccc1O ZINC000886772223 627203233 /nfs/dbraw/zinc/20/32/33/627203233.db2.gz VMCZSGACFBXPFK-DHBZOUTCSA-N 1 0 319.445 3.406 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)[C@H]1CCCOC1 ZINC000886789277 627204956 /nfs/dbraw/zinc/20/49/56/627204956.db2.gz RHWRWQKMFYXZQA-XUJVJEKNSA-N 1 0 313.825 3.138 20 10 DGCDRO COc1cc2c(cc1O)CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000887106933 627225816 /nfs/dbraw/zinc/22/58/16/627225816.db2.gz UHVGSTGBEOCIOT-UHFFFAOYSA-N 1 0 312.413 3.025 20 10 DGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCc1cn[nH]c1 ZINC000811512655 627285253 /nfs/dbraw/zinc/28/52/53/627285253.db2.gz IVTHHSBUUACSKL-UHFFFAOYSA-N 1 0 323.396 3.027 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(O)cc1C ZINC000811803838 627322460 /nfs/dbraw/zinc/32/24/60/627322460.db2.gz TVDVJMOYOTXOBP-CQSZACIVSA-N 1 0 321.808 3.006 20 10 DGCDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)cc1C ZINC000811792388 627322621 /nfs/dbraw/zinc/32/26/21/627322621.db2.gz OHTLQGPXFNAZAP-AEFFLSMTSA-N 1 0 317.429 3.243 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c(O)c1C ZINC000812736539 627413855 /nfs/dbraw/zinc/41/38/55/627413855.db2.gz GYYILFGGZCJJFW-CQSZACIVSA-N 1 0 313.445 3.472 20 10 DGCDRO C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(N(C)C)cc1 ZINC000812737981 627414888 /nfs/dbraw/zinc/41/48/88/627414888.db2.gz UZESJLCUHULBBA-CQSZACIVSA-N 1 0 312.461 3.216 20 10 DGCDRO COc1ccccc1-c1ncc(C[NH2+]Cc2ccccc2O)cn1 ZINC000813772135 627510610 /nfs/dbraw/zinc/51/06/10/627510610.db2.gz UFEOIAOXKHZUAD-UHFFFAOYSA-N 1 0 321.380 3.148 20 10 DGCDRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000814178065 627547053 /nfs/dbraw/zinc/54/70/53/627547053.db2.gz ANMMWXKADZESPJ-ZDUSSCGKSA-N 1 0 318.367 3.381 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)ccc1O ZINC000815036540 627618559 /nfs/dbraw/zinc/61/85/59/627618559.db2.gz XSXGZNDMKLNUDI-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO Cc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)ccc1N(C)C ZINC000815073118 627622698 /nfs/dbraw/zinc/62/26/98/627622698.db2.gz GIILUWXNKZIQBZ-FQEVSTJZSA-N 1 0 310.441 3.153 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)ccc1N(C)C ZINC000815087596 627624180 /nfs/dbraw/zinc/62/41/80/627624180.db2.gz WOARGOATNVMUTE-KRWDZBQOSA-N 1 0 302.393 3.023 20 10 DGCDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000815113794 627628515 /nfs/dbraw/zinc/62/85/15/627628515.db2.gz LGLMJPLEXKHFQB-SFHVURJKSA-N 1 0 317.477 3.023 20 10 DGCDRO CCN(C)c1ccc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000815117416 627629271 /nfs/dbraw/zinc/62/92/71/627629271.db2.gz MDEIFLGRGXIFKK-QFBILLFUSA-N 1 0 301.478 3.201 20 10 DGCDRO Cc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1N(C)C ZINC000815118668 627630097 /nfs/dbraw/zinc/63/00/97/627630097.db2.gz QYRMEVIPPBEJTF-VQIMIIECSA-N 1 0 301.478 3.120 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC000815153833 627638811 /nfs/dbraw/zinc/63/88/11/627638811.db2.gz ZBWFEQYLKAIXAR-HNNXBMFYSA-N 1 0 316.367 3.286 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)ccc1N(C)C ZINC000815251393 627651787 /nfs/dbraw/zinc/65/17/87/627651787.db2.gz ZIIVXQAEBNSINQ-SFHVURJKSA-N 1 0 304.478 3.338 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1CC2(C1)CCCC2 ZINC000924753243 627676275 /nfs/dbraw/zinc/67/62/75/627676275.db2.gz YHTPEHQJRNNSCJ-UHFFFAOYSA-N 1 0 300.446 3.336 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c(O)c1 ZINC000815566738 627685458 /nfs/dbraw/zinc/68/54/58/627685458.db2.gz DBMPKOBPLIOJMK-HZPDHXFCSA-N 1 0 324.424 3.465 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC000815598322 627689471 /nfs/dbraw/zinc/68/94/71/627689471.db2.gz ROZNLAMJVIJVNS-ZANVPECISA-N 1 0 303.324 3.487 20 10 DGCDRO CON1CCC([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000925012717 627700964 /nfs/dbraw/zinc/70/09/64/627700964.db2.gz RISGPIJEZDDFDB-UHFFFAOYSA-N 1 0 317.477 3.038 20 10 DGCDRO Cc1nn(C)c(C)c1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816531378 627803051 /nfs/dbraw/zinc/80/30/51/627803051.db2.gz PPUQKQMNNZRSPD-UHFFFAOYSA-N 1 0 309.413 3.228 20 10 DGCDRO CC1=CC[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000816539205 627804014 /nfs/dbraw/zinc/80/40/14/627804014.db2.gz WLYYCZLUMCWSJA-IBGZPJMESA-N 1 0 314.473 3.484 20 10 DGCDRO Oc1c(C[NH2+][C@@H]2CCN(c3ccccn3)C2)ccc2ccccc21 ZINC000816558498 627807605 /nfs/dbraw/zinc/80/76/05/627807605.db2.gz BBXNCOBPJDKIEM-QGZVFWFLSA-N 1 0 319.408 3.309 20 10 DGCDRO CC(C)(C)N1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CC1=O ZINC000816555949 627807715 /nfs/dbraw/zinc/80/77/15/627807715.db2.gz VCNZCXGSKCLUMC-HNNXBMFYSA-N 1 0 312.413 3.034 20 10 DGCDRO CCn1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1=O ZINC000816593904 627812701 /nfs/dbraw/zinc/81/27/01/627812701.db2.gz INFCVMWLEDXBEQ-UHFFFAOYSA-N 1 0 308.381 3.017 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000816627473 627816700 /nfs/dbraw/zinc/81/67/00/627816700.db2.gz OZWCXQXVIAVEGU-UHFFFAOYSA-N 1 0 314.282 3.277 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1ccc(N(C)C)cc1 ZINC000817587942 627927447 /nfs/dbraw/zinc/92/74/47/627927447.db2.gz KNFMTVANGYKTAD-YJBOKZPZSA-N 1 0 320.477 3.377 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000817938529 627966656 /nfs/dbraw/zinc/96/66/56/627966656.db2.gz MMOZDKDCAJXQLR-PMACEKPBSA-N 1 0 309.457 3.420 20 10 DGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000817938253 627966852 /nfs/dbraw/zinc/96/68/52/627966852.db2.gz HMQFERYQQXLXLG-KZULUSFZSA-N 1 0 319.399 3.381 20 10 DGCDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cs1 ZINC000817939997 627967417 /nfs/dbraw/zinc/96/74/17/627967417.db2.gz DSRDFWRRSXIWIV-CXAGYDPISA-N 1 0 303.475 3.473 20 10 DGCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000817938794 627967510 /nfs/dbraw/zinc/96/75/10/627967510.db2.gz SLMGXSZXBPVSCA-UGSOOPFHSA-N 1 0 301.409 3.242 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(O)c1 ZINC000817942255 627968494 /nfs/dbraw/zinc/96/84/94/627968494.db2.gz NNLIYVRTTPJBQP-RDTXWAMCSA-N 1 0 313.445 3.117 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000817941900 627968639 /nfs/dbraw/zinc/96/86/39/627968639.db2.gz LRISUMWKTLYADD-NHCUHLMSSA-N 1 0 323.484 3.363 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(C)n1 ZINC000817941147 627968781 /nfs/dbraw/zinc/96/87/81/627968781.db2.gz JDWNRLQWZKQWGG-LIRRHRJNSA-N 1 0 312.461 3.115 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(O)c1 ZINC000817942254 627968899 /nfs/dbraw/zinc/96/88/99/627968899.db2.gz NNLIYVRTTPJBQP-KSSFIOAISA-N 1 0 313.445 3.117 20 10 DGCDRO CC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817942772 627969438 /nfs/dbraw/zinc/96/94/38/627969438.db2.gz QVVXXSMQQGPEQI-IAGOWNOFSA-N 1 0 316.424 3.027 20 10 DGCDRO COc1ccsc1[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943864 627969498 /nfs/dbraw/zinc/96/94/98/627969498.db2.gz WEHKLBRCWVTNDS-IUODEOHRSA-N 1 0 319.474 3.173 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCNc3ccccc32)cc1 ZINC000817944337 627969617 /nfs/dbraw/zinc/96/96/17/627969617.db2.gz ZIAJYPZQWCDBEU-QUCCMNQESA-N 1 0 324.472 3.289 20 10 DGCDRO CC(C)[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817944146 627969960 /nfs/dbraw/zinc/96/99/60/627969960.db2.gz XOZWQGRAHZERDQ-RTBURBONSA-N 1 0 312.461 3.134 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945652 627970325 /nfs/dbraw/zinc/97/03/25/627970325.db2.gz IVJZLNXFFCYUBO-NXEZZACHSA-N 1 0 303.233 3.349 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817954229 627973121 /nfs/dbraw/zinc/97/31/21/627973121.db2.gz WGPJMZHPZUWCJD-ZWNOBZJWSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CN1Cc1ccccc1 ZINC000817956089 627973910 /nfs/dbraw/zinc/97/39/10/627973910.db2.gz QJFBETRHANTCJI-OXJNMPFZSA-N 1 0 309.457 3.064 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CN1Cc1ccccc1 ZINC000817956090 627973928 /nfs/dbraw/zinc/97/39/28/627973928.db2.gz QJFBETRHANTCJI-OXQOHEQNSA-N 1 0 309.457 3.064 20 10 DGCDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(C(=O)OC)cc1 ZINC000817957680 627974953 /nfs/dbraw/zinc/97/49/53/627974953.db2.gz OAKOSJBTHSYIRJ-GOSISDBHSA-N 1 0 312.413 3.339 20 10 DGCDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817957722 627975191 /nfs/dbraw/zinc/97/51/91/627975191.db2.gz OSAFHOVFCLSMRI-KRWDZBQOSA-N 1 0 300.377 3.236 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817964576 627976785 /nfs/dbraw/zinc/97/67/85/627976785.db2.gz CPUDPJMRFJKJSI-QWHCGFSZSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817966285 627977418 /nfs/dbraw/zinc/97/74/18/627977418.db2.gz KJBIRPWRNJOWIG-IAQYHMDHSA-N 1 0 316.367 3.451 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(F)ccc1O ZINC000817973372 627979739 /nfs/dbraw/zinc/97/97/39/627979739.db2.gz DSHGVEVXCYEIFZ-SJKOYZFVSA-N 1 0 300.377 3.069 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccccc1O ZINC000926925726 627982564 /nfs/dbraw/zinc/98/25/64/627982564.db2.gz KVIFPLPBEMQZKD-NWDGAFQWSA-N 1 0 302.340 3.070 20 10 DGCDRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCCCC2)cc1 ZINC000817979820 627982602 /nfs/dbraw/zinc/98/26/02/627982602.db2.gz OVHAJPUYLDNADJ-YOEHRIQHSA-N 1 0 323.431 3.325 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817982233 627982664 /nfs/dbraw/zinc/98/26/64/627982664.db2.gz PRISUSHKAPYJHC-IVZWLZJFSA-N 1 0 303.233 3.477 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1nc3c(s1)CCC3)CC2 ZINC000926928761 627983104 /nfs/dbraw/zinc/98/31/04/627983104.db2.gz GJBIWUSTMQMVEB-CYBMUJFWSA-N 1 0 300.427 3.157 20 10 DGCDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)CN(C)C ZINC000926965054 627990613 /nfs/dbraw/zinc/99/06/13/627990613.db2.gz ZWEGWFBGTHJFBH-HOCLYGCPSA-N 1 0 316.445 3.163 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000818221780 628006751 /nfs/dbraw/zinc/00/67/51/628006751.db2.gz SZSOWYAIBQTKKT-IRXDYDNUSA-N 1 0 300.446 3.467 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000927071224 628007491 /nfs/dbraw/zinc/00/74/91/628007491.db2.gz XJPPBNIJJZDYHY-YEWDVWPNSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000818342101 628015445 /nfs/dbraw/zinc/01/54/45/628015445.db2.gz LOUYAKKCLVVXTL-MAUKXSAKSA-N 1 0 300.446 3.444 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3nccs3)C2)cc1 ZINC000818343222 628015685 /nfs/dbraw/zinc/01/56/85/628015685.db2.gz ZRHUJVOSQBDAIY-KGLIPLIRSA-N 1 0 317.458 3.329 20 10 DGCDRO CCCC[C@@H](COC)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342160 628015874 /nfs/dbraw/zinc/01/58/74/628015874.db2.gz MTAYWQIAAUKFRG-IRXDYDNUSA-N 1 0 320.477 3.316 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cncs3)C2)cc1 ZINC000818344132 628016289 /nfs/dbraw/zinc/01/62/89/628016289.db2.gz JNHTXNBUMANEDQ-KGLIPLIRSA-N 1 0 317.458 3.329 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(N2CCOCC2)cc1Cl ZINC000818356009 628018021 /nfs/dbraw/zinc/01/80/21/628018021.db2.gz HRFABOQRSHFYGV-WBMJQRKESA-N 1 0 306.837 3.380 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000927151915 628026688 /nfs/dbraw/zinc/02/66/88/628026688.db2.gz HZVHEBPQDVLTBO-DZKIICNBSA-N 1 0 306.425 3.238 20 10 DGCDRO CN1CCCc2cc(C[NH2+]CCC(=O)Nc3ccccc3)ccc21 ZINC000818984968 628073039 /nfs/dbraw/zinc/07/30/39/628073039.db2.gz JPMYDJSIFMNHMQ-UHFFFAOYSA-N 1 0 323.440 3.187 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@@H]3SC)C2)cc1 ZINC000822494441 628457741 /nfs/dbraw/zinc/45/77/41/628457741.db2.gz OTVJNGIIJLHSQL-COXVUDFISA-N 1 0 306.475 3.005 20 10 DGCDRO CCOc1ccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c(O)c1 ZINC000822515433 628459807 /nfs/dbraw/zinc/45/98/07/628459807.db2.gz ASJCITGQSSKMOB-IBGZPJMESA-N 1 0 315.413 3.130 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000823758176 628594421 /nfs/dbraw/zinc/59/44/21/628594421.db2.gz UCIAODUGTNJMJZ-QLPKVWCKSA-N 1 0 318.461 3.210 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H](CO)C2CC2)cc1 ZINC000823882896 628606908 /nfs/dbraw/zinc/60/69/08/628606908.db2.gz SSBYILPJJYNBQD-GOSISDBHSA-N 1 0 316.470 3.245 20 10 DGCDRO COCC1CCC([NH2+]CCCSc2nccs2)CC1 ZINC000823937902 628611800 /nfs/dbraw/zinc/61/18/00/628611800.db2.gz MZPHODUQSHZKRE-UHFFFAOYSA-N 1 0 300.493 3.420 20 10 DGCDRO CCCNC(=O)C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824548481 628669358 /nfs/dbraw/zinc/66/93/58/628669358.db2.gz NOSVLUCZJMYVSF-UHFFFAOYSA-N 1 0 324.852 3.092 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1Cl ZINC000824597431 628675409 /nfs/dbraw/zinc/67/54/09/628675409.db2.gz QZPWIVKHPDTGPY-GFCCVEGCSA-N 1 0 305.809 3.457 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1Cl ZINC000824690092 628683934 /nfs/dbraw/zinc/68/39/34/628683934.db2.gz YTAZESVNPUPRRM-CQSZACIVSA-N 1 0 305.809 3.388 20 10 DGCDRO COc1cc(C[N@H+](C[C@H](C)O)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000824725908 628687761 /nfs/dbraw/zinc/68/77/61/628687761.db2.gz OGJDZPWEIHBPNZ-ZDUSSCGKSA-N 1 0 309.450 3.290 20 10 DGCDRO Cc1cccc(C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1O ZINC000824733105 628688439 /nfs/dbraw/zinc/68/84/39/628688439.db2.gz HWVOMWAIIUTYHH-UHFFFAOYSA-N 1 0 320.433 3.188 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@](C)(OC)c2ccccc2)c1O ZINC000824780475 628692955 /nfs/dbraw/zinc/69/29/55/628692955.db2.gz QDCOJXWDKYGQGC-GOSISDBHSA-N 1 0 301.386 3.052 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000824799157 628694768 /nfs/dbraw/zinc/69/47/68/628694768.db2.gz LCNIYEJASOSYRM-RHSMWYFYSA-N 1 0 307.434 3.332 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000824799164 628694804 /nfs/dbraw/zinc/69/48/04/628694804.db2.gz LCNIYEJASOSYRM-WMLDXEAASA-N 1 0 307.434 3.332 20 10 DGCDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000824904413 628704423 /nfs/dbraw/zinc/70/44/23/628704423.db2.gz ZTKAYFVYFSOYBP-HUUCEWRRSA-N 1 0 316.367 3.429 20 10 DGCDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3cccc(OC)c3O)C2)c1 ZINC000825091020 628726727 /nfs/dbraw/zinc/72/67/27/628726727.db2.gz RNTIEQWJILVCKC-WKILWMFISA-N 1 0 313.397 3.445 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1 ZINC000825104224 628728353 /nfs/dbraw/zinc/72/83/53/628728353.db2.gz RINBYMGHYWOTRW-DLBZAZTESA-N 1 0 305.418 3.180 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1O ZINC000825111362 628729428 /nfs/dbraw/zinc/72/94/28/628729428.db2.gz MWUVMARTYLILNV-GJZGRUSLSA-N 1 0 324.424 3.157 20 10 DGCDRO CCOCc1cc(C[NH2+]CCC[C@@H]2CCOC2)ccc1OC ZINC000825133527 628731092 /nfs/dbraw/zinc/73/10/92/628731092.db2.gz IUXGDRGZPCNREP-OAHLLOKOSA-N 1 0 307.434 3.138 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1O ZINC000825142473 628731958 /nfs/dbraw/zinc/73/19/58/628731958.db2.gz SHFQTPJLDGVZFE-LRDDRELGSA-N 1 0 323.400 3.374 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000825145206 628732333 /nfs/dbraw/zinc/73/23/33/628732333.db2.gz WZRXZUQXDCYWLF-UHFFFAOYSA-N 1 0 301.333 3.041 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@@H](O)C(F)(F)F ZINC000825390809 628757238 /nfs/dbraw/zinc/75/72/38/628757238.db2.gz LJFRPISMHQSWLY-ZYHUDNBSSA-N 1 0 311.731 3.145 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CCO)Cc2ccccc2)cc1Cl ZINC000825773482 628796379 /nfs/dbraw/zinc/79/63/79/628796379.db2.gz IEWVQCAXGOTOEN-MRXNPFEDSA-N 1 0 319.832 3.437 20 10 DGCDRO Cc1cc(O)c(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1Cl ZINC000825885147 628806671 /nfs/dbraw/zinc/80/66/71/628806671.db2.gz DGAADLAAVHADHQ-ZFWWWQNUSA-N 1 0 308.853 3.413 20 10 DGCDRO COc1cc(C[N@H+](C)[C@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000825882732 628806702 /nfs/dbraw/zinc/80/67/02/628806702.db2.gz NTNAGMPEWOPRRC-AWEZNQCLSA-N 1 0 307.434 3.309 20 10 DGCDRO COc1cc(C[N@H+](C)[C@@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000825882733 628806894 /nfs/dbraw/zinc/80/68/94/628806894.db2.gz NTNAGMPEWOPRRC-CQSZACIVSA-N 1 0 307.434 3.309 20 10 DGCDRO C[C@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000825953073 628814094 /nfs/dbraw/zinc/81/40/94/628814094.db2.gz VUWOSADEQTWKJN-LBPRGKRZSA-N 1 0 311.433 3.177 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc1 ZINC000826019839 628820964 /nfs/dbraw/zinc/82/09/64/628820964.db2.gz LGHMETRFWGFVPY-QAPCUYQASA-N 1 0 319.493 3.111 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)c2nccn21 ZINC000826084168 628826440 /nfs/dbraw/zinc/82/64/40/628826440.db2.gz WMJUIHHGCBJWQV-JOYOIKCWSA-N 1 0 322.206 3.147 20 10 DGCDRO COc1cc(C[N@H+](C[C@@H](C)O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000826539534 628857774 /nfs/dbraw/zinc/85/77/74/628857774.db2.gz VHXOEVSQIIKPNM-GFCCVEGCSA-N 1 0 307.434 3.044 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]CC3(SC)CCC3)C2)cc1 ZINC000826845060 628894084 /nfs/dbraw/zinc/89/40/84/628894084.db2.gz DDDBTPMVXGOVFG-AWEZNQCLSA-N 1 0 306.475 3.149 20 10 DGCDRO COCCC1C[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000826894762 628900917 /nfs/dbraw/zinc/90/09/17/628900917.db2.gz WCJIRGCUQKEKKP-UHFFFAOYSA-N 1 0 316.367 3.240 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000827017695 628913285 /nfs/dbraw/zinc/91/32/85/628913285.db2.gz IHNWLJJVTLMDRA-WOQGQJNTSA-N 1 0 300.446 3.124 20 10 DGCDRO C[C@@H](COc1c(F)cccc1F)[NH2+]Cc1cc(F)ccc1O ZINC000827106116 628922149 /nfs/dbraw/zinc/92/21/49/628922149.db2.gz OTKVRPYTEZRLFW-JTQLQIEISA-N 1 0 311.303 3.367 20 10 DGCDRO Cc1ccc(CC2C[NH+](Cc3cc4c(cc3O)OCO4)C2)cc1 ZINC000827321498 628948918 /nfs/dbraw/zinc/94/89/18/628948918.db2.gz PQMGWQUZHIVXEL-UHFFFAOYSA-N 1 0 311.381 3.104 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1O ZINC000827377358 628954481 /nfs/dbraw/zinc/95/44/81/628954481.db2.gz WOOLTCXEBWLCGW-HOCLYGCPSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](C)C2CCC(F)CC2)cc1OC ZINC000827538067 628969428 /nfs/dbraw/zinc/96/94/28/628969428.db2.gz MWWTXKARIYVMPW-LKSINWNRSA-N 1 0 311.397 3.416 20 10 DGCDRO C[C@@H](O)C1([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000827586419 628973865 /nfs/dbraw/zinc/97/38/65/628973865.db2.gz XGNNFWFISQZWSC-CQSZACIVSA-N 1 0 316.470 3.388 20 10 DGCDRO C[C@H](O)C1([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000827586418 628973907 /nfs/dbraw/zinc/97/39/07/628973907.db2.gz XGNNFWFISQZWSC-AWEZNQCLSA-N 1 0 316.470 3.388 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC(c3ccon3)CC2)c1O ZINC000827629514 628977966 /nfs/dbraw/zinc/97/79/66/628977966.db2.gz LOJOFUFBCZFPHE-UHFFFAOYSA-N 1 0 302.374 3.159 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@]1(C)CO ZINC000827700879 628983877 /nfs/dbraw/zinc/98/38/77/628983877.db2.gz YPRWVDPRDQMREG-VQIMIIECSA-N 1 0 302.462 3.127 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000827750341 628988004 /nfs/dbraw/zinc/98/80/04/628988004.db2.gz DZVACLNHLBGYIV-GDBMZVCRSA-N 1 0 311.809 3.257 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(OCC)cc1O ZINC000827750529 628988043 /nfs/dbraw/zinc/98/80/43/628988043.db2.gz IPDSLTVUSLSLKQ-WMZOPIPTSA-N 1 0 321.417 3.002 20 10 DGCDRO C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000827913777 629003042 /nfs/dbraw/zinc/00/30/42/629003042.db2.gz MCJWEQBSVAEHSA-AWEZNQCLSA-N 1 0 323.440 3.019 20 10 DGCDRO C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1O ZINC000827930324 629004680 /nfs/dbraw/zinc/00/46/80/629004680.db2.gz GOSGLJBSPCLFMA-OAHLLOKOSA-N 1 0 324.424 3.479 20 10 DGCDRO CC[N@H+](C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000827931141 629004822 /nfs/dbraw/zinc/00/48/22/629004822.db2.gz ZUJHDTIMXDPTEE-RDTXWAMCSA-N 1 0 312.413 3.262 20 10 DGCDRO Cc1cc(C(=O)C[N@H+]2CCC[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000827944414 629006477 /nfs/dbraw/zinc/00/64/77/629006477.db2.gz FBLYELIGLHERBK-GFCCVEGCSA-N 1 0 315.392 3.295 20 10 DGCDRO C[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000827946879 629006727 /nfs/dbraw/zinc/00/67/27/629006727.db2.gz UEAMMYHWKJQDKY-WBVHZDCISA-N 1 0 324.424 3.092 20 10 DGCDRO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1N1CCCCC1 ZINC000827949482 629007152 /nfs/dbraw/zinc/00/71/52/629007152.db2.gz ONCSDQXUSOLVAD-HDICACEKSA-N 1 0 300.446 3.349 20 10 DGCDRO COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000827951348 629007321 /nfs/dbraw/zinc/00/73/21/629007321.db2.gz XWIFGCSPXZQHDM-OAHLLOKOSA-N 1 0 321.804 3.186 20 10 DGCDRO CCc1cc(CCC[NH2+][C@@H](C)c2cc(OC)ccc2O)on1 ZINC000828682745 629082176 /nfs/dbraw/zinc/08/21/76/629082176.db2.gz SBDYRWDXWKGXEE-LBPRGKRZSA-N 1 0 304.390 3.235 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)ccc1N1CCCCC1 ZINC000828755378 629088083 /nfs/dbraw/zinc/08/80/83/629088083.db2.gz MTLCKXBVQHLDIB-SJLPKXTDSA-N 1 0 302.462 3.188 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)cc1 ZINC000829376132 629153929 /nfs/dbraw/zinc/15/39/29/629153929.db2.gz MPAXYNVJINBARN-FQEVSTJZSA-N 1 0 310.441 3.018 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C12CCC2 ZINC000831307547 629360364 /nfs/dbraw/zinc/36/03/64/629360364.db2.gz CMIORVPUOCLQNW-CVEARBPZSA-N 1 0 321.392 3.171 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2COCC2(C)C)ccc1N1CCCCC1 ZINC000832175354 629448130 /nfs/dbraw/zinc/44/81/30/629448130.db2.gz VAKDWSJLOGVQGU-GOSISDBHSA-N 1 0 302.462 3.500 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(Cn3cccn3)cc1)CC2 ZINC000834496381 629717534 /nfs/dbraw/zinc/71/75/34/629717534.db2.gz GARHJDIBBQKDOT-SFHVURJKSA-N 1 0 319.408 3.414 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000834508911 629719289 /nfs/dbraw/zinc/71/92/89/629719289.db2.gz SVZXDIOSZKYSGT-UHFFFAOYSA-N 1 0 313.445 3.164 20 10 DGCDRO O=C1OCCN1c1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000834526108 629720521 /nfs/dbraw/zinc/72/05/21/629720521.db2.gz DSDPJEUXTVSJNB-INIZCTEOSA-N 1 0 324.380 3.126 20 10 DGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCc2ccccc2C1 ZINC000834538702 629723672 /nfs/dbraw/zinc/72/36/72/629723672.db2.gz WBKXQNZRNULWBF-KXBFYZLASA-N 1 0 322.452 3.416 20 10 DGCDRO COc1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)c(OC)c1 ZINC000834547957 629725159 /nfs/dbraw/zinc/72/51/59/629725159.db2.gz ISRAFYYMLYIMCX-INIZCTEOSA-N 1 0 313.397 3.229 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C(=O)N1c1ccccc1 ZINC000834674005 629754616 /nfs/dbraw/zinc/75/46/16/629754616.db2.gz ZRYXPKHPKLVGLQ-XOKHGSTOSA-N 1 0 322.408 3.163 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1nnc(-c3ccccc3)o1)CC2 ZINC000834688671 629757910 /nfs/dbraw/zinc/75/79/10/629757910.db2.gz DAITWPDBROLBPH-OAHLLOKOSA-N 1 0 321.380 3.262 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834761969 629774662 /nfs/dbraw/zinc/77/46/62/629774662.db2.gz WLKBWKVIZWWGOX-ZBFHGGJFSA-N 1 0 301.386 3.210 20 10 DGCDRO OC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000834802981 629782109 /nfs/dbraw/zinc/78/21/09/629782109.db2.gz HPUAYENINLTAJJ-HOCLYGCPSA-N 1 0 317.816 3.399 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(C)cc1O ZINC000834828370 629785241 /nfs/dbraw/zinc/78/52/41/629785241.db2.gz SINYZIFLFYPPSS-AEFFLSMTSA-N 1 0 317.404 3.484 20 10 DGCDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834843749 629789185 /nfs/dbraw/zinc/78/91/85/629789185.db2.gz KGWAXMWHEPOOON-APWZRJJASA-N 1 0 320.477 3.115 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(F)F)c1cc(Cl)ccc1O ZINC000834875953 629795398 /nfs/dbraw/zinc/79/53/98/629795398.db2.gz WDGYEXUAPZTVET-GVXVVHGQSA-N 1 0 307.768 3.491 20 10 DGCDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834882991 629796765 /nfs/dbraw/zinc/79/67/65/629796765.db2.gz FQTTYRIJOAONTO-FMKPAKJESA-N 1 0 306.425 3.359 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@@H](c3ccncc3)C1)CC2 ZINC000834895075 629800047 /nfs/dbraw/zinc/80/00/47/629800047.db2.gz XDLXYAVFJGGSSX-JFIYKMOQSA-N 1 0 310.397 3.284 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCO[C@@H](c3ccccn3)C1)CC2 ZINC000834903862 629803517 /nfs/dbraw/zinc/80/35/17/629803517.db2.gz LUJBQKNSHBXUCU-UWWQBHOKSA-N 1 0 310.397 3.284 20 10 DGCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834903652 629803798 /nfs/dbraw/zinc/80/37/98/629803798.db2.gz KBFQZBUYLKTWSD-KFKAGJAMSA-N 1 0 318.461 3.131 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(F)ccc2O)cc1C ZINC000834912270 629807220 /nfs/dbraw/zinc/80/72/20/629807220.db2.gz CAFPKHXCJZJQMZ-PBHICJAKSA-N 1 0 317.404 3.402 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1C ZINC000834912275 629807291 /nfs/dbraw/zinc/80/72/91/629807291.db2.gz CAFPKHXCJZJQMZ-WMLDXEAASA-N 1 0 317.404 3.402 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cc(Cl)ccc1O ZINC000834912255 629807366 /nfs/dbraw/zinc/80/73/66/629807366.db2.gz BXCLSODTYVGITL-VHDGCEQUSA-N 1 0 322.836 3.240 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000834914553 629807744 /nfs/dbraw/zinc/80/77/44/629807744.db2.gz NPSBBVOZUPXANK-WHOFXGATSA-N 1 0 322.836 3.158 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cc(Br)ccc1O ZINC000834916198 629808256 /nfs/dbraw/zinc/80/82/56/629808256.db2.gz WFPQHQSIFIYBKO-YRGRVCCFSA-N 1 0 314.223 3.109 20 10 DGCDRO CC(C)[NH2+]C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835027712 629828991 /nfs/dbraw/zinc/82/89/91/629828991.db2.gz NSDXYOKNXUZVFI-WAYWQWQTSA-N 1 0 301.478 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000835033479 629829637 /nfs/dbraw/zinc/82/96/37/629829637.db2.gz UIZASSGXUUQCSG-LLHWWHOWSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(N(C)C)CCCC2)cc1 ZINC000835033356 629829845 /nfs/dbraw/zinc/82/98/45/629829845.db2.gz FRIUTFPXVQAKIE-FPLPWBNLSA-N 1 0 301.478 3.230 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000835040096 629832436 /nfs/dbraw/zinc/83/24/36/629832436.db2.gz OAVBVNXYSSCFAL-YSEKLJNJSA-N 1 0 300.446 3.169 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1 ZINC000835042533 629832849 /nfs/dbraw/zinc/83/28/49/629832849.db2.gz JBCNCRGRUXASHS-OOFWQKGWSA-N 1 0 316.445 3.041 20 10 DGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041787 629833006 /nfs/dbraw/zinc/83/30/06/629833006.db2.gz NSGNQAIDIDDTSX-ZEVQVBBLSA-N 1 0 304.478 3.399 20 10 DGCDRO COC(=O)[C@@H](C)N(C/C=C/c1ccc(N(C)C)cc1)C1CCC1 ZINC000835050365 629836192 /nfs/dbraw/zinc/83/61/92/629836192.db2.gz PHCQPIFTIOLXCE-LQYUOIDQSA-N 1 0 316.445 3.182 20 10 DGCDRO C[C@H](CO)[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC1CCC1 ZINC000835049527 629836264 /nfs/dbraw/zinc/83/62/64/629836264.db2.gz JNGKWIMMZCHXST-KQQSKNTNSA-N 1 0 302.462 3.249 20 10 DGCDRO Cc1ccccc1C[C@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835050017 629836560 /nfs/dbraw/zinc/83/65/60/629836560.db2.gz MAQAZBNXXMYUIP-LQOHYYORSA-N 1 0 324.468 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H](O)c2ccccc2)cc1 ZINC000835052454 629836878 /nfs/dbraw/zinc/83/68/78/629836878.db2.gz CDPRUZRXGTWUPJ-PXDRNWIDSA-N 1 0 310.441 3.479 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H](CO)c2ccccc2)cc1 ZINC000835053456 629837407 /nfs/dbraw/zinc/83/74/07/629837407.db2.gz COWRAVANZPVKHC-AQWUKCDYSA-N 1 0 310.441 3.431 20 10 DGCDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2c(O)cccc2OC)c1 ZINC000835054618 629838307 /nfs/dbraw/zinc/83/83/07/629838307.db2.gz LSYHGZLIUFYWGZ-GFCCVEGCSA-N 1 0 319.376 3.269 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2c3c(nn2C)CCCC3)cc1 ZINC000835056565 629839609 /nfs/dbraw/zinc/83/96/09/629839609.db2.gz VTJMFWOBIOASQM-VOTSOKGWSA-N 1 0 324.472 3.168 20 10 DGCDRO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[N@@H+](C2CC2)C1 ZINC000835055550 629840036 /nfs/dbraw/zinc/84/00/36/629840036.db2.gz WATDATCUXOHLKZ-VGOKWCNXSA-N 1 0 313.489 3.182 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccn(C)n1 ZINC000840817466 630362419 /nfs/dbraw/zinc/36/24/19/630362419.db2.gz TXABJUNBEIZNFE-UWVGGRQHSA-N 1 0 324.222 3.300 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cccnc2N(C)C)c(Cl)c1 ZINC000840876646 630370347 /nfs/dbraw/zinc/37/03/47/630370347.db2.gz RIRNXGBHRPKOOW-UHFFFAOYSA-N 1 0 305.809 3.105 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCOCC(F)(F)F)c(Cl)c1 ZINC000840880657 630371195 /nfs/dbraw/zinc/37/11/95/630371195.db2.gz WWSBBAVIXUMCJG-UHFFFAOYSA-N 1 0 311.731 3.413 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000840883411 630371549 /nfs/dbraw/zinc/37/15/49/630371549.db2.gz ZMZKWIIFEPGODK-PBHICJAKSA-N 1 0 316.420 3.318 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CO)c(F)c2)c(Cl)c1 ZINC000840883282 630371639 /nfs/dbraw/zinc/37/16/39/630371639.db2.gz FPBDDMOQYYWULA-UHFFFAOYSA-N 1 0 309.768 3.275 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(N(C)C)cc1C)c1ccn(C)n1 ZINC000840894822 630373927 /nfs/dbraw/zinc/37/39/27/630373927.db2.gz UDPATHBCMWHVEK-QAPCUYQASA-N 1 0 314.477 3.466 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2ccccc2C)c(Cl)c1 ZINC000840896783 630374505 /nfs/dbraw/zinc/37/45/05/630374505.db2.gz NUVOVNJYHRDVIE-KRWDZBQOSA-N 1 0 305.805 3.486 20 10 DGCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1c(O)cc(C)cc1Cl)CC2 ZINC000840915545 630377595 /nfs/dbraw/zinc/37/75/95/630377595.db2.gz QTGNSNQFPHJSKQ-CYBMUJFWSA-N 1 0 323.820 3.129 20 10 DGCDRO Cc1cc(C)n(CCC[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000840928133 630379556 /nfs/dbraw/zinc/37/95/56/630379556.db2.gz LBUNUWDBJPLQLZ-UHFFFAOYSA-N 1 0 300.450 3.054 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000840937133 630380680 /nfs/dbraw/zinc/38/06/80/630380680.db2.gz HWEZEORQJVZLKC-RBUKOAKNSA-N 1 0 302.462 3.356 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)c(O)c1 ZINC000840940828 630381412 /nfs/dbraw/zinc/38/14/12/630381412.db2.gz HBJZXFFJVQIUGU-UHFFFAOYSA-N 1 0 323.295 3.012 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000840940383 630381429 /nfs/dbraw/zinc/38/14/29/630381429.db2.gz ZTBPIVHWSREKQT-FQEVSTJZSA-N 1 0 312.457 3.144 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000840949587 630383452 /nfs/dbraw/zinc/38/34/52/630383452.db2.gz YPOKIXQIHNRRMH-OALUTQOASA-N 1 0 300.446 3.204 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CS[C@@H](C)C2)c1O ZINC000840959632 630386492 /nfs/dbraw/zinc/38/64/92/630386492.db2.gz XPWRUPDZAACGPB-CABZTGNLSA-N 1 0 316.264 3.447 20 10 DGCDRO CC(C)[C@H]1[N@H+](Cc2ccc(N(C)C)cc2)CC12CCOCC2 ZINC000840969460 630387974 /nfs/dbraw/zinc/38/79/74/630387974.db2.gz KMBSGSJHBVGIPR-GOSISDBHSA-N 1 0 302.462 3.390 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H](O)C(C)C ZINC000840967387 630388227 /nfs/dbraw/zinc/38/82/27/630388227.db2.gz MDVPIHLDKGKQGV-OCCSQVGLSA-N 1 0 316.239 3.040 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000840976227 630390365 /nfs/dbraw/zinc/39/03/65/630390365.db2.gz NJEOOCCUVUBCFE-MRXNPFEDSA-N 1 0 322.456 3.430 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c1O ZINC000840978182 630390607 /nfs/dbraw/zinc/39/06/07/630390607.db2.gz PXXRLROBZPXFAA-MRXNPFEDSA-N 1 0 300.377 3.208 20 10 DGCDRO C[C@H]([NH3+])c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000841028353 630398248 /nfs/dbraw/zinc/39/82/48/630398248.db2.gz PBKRHYSDXPONCO-HNNXBMFYSA-N 1 0 311.429 3.155 20 10 DGCDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841037170 630400059 /nfs/dbraw/zinc/40/00/59/630400059.db2.gz YVVZHTLXYGITLY-OAHLLOKOSA-N 1 0 311.429 3.127 20 10 DGCDRO C[NH2+]Cc1cccc(NCc2cc(Cl)cc(OC)c2O)c1 ZINC000841042379 630401170 /nfs/dbraw/zinc/40/11/70/630401170.db2.gz GIWOFYVIWPRWKV-UHFFFAOYSA-N 1 0 306.793 3.386 20 10 DGCDRO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044747 630401261 /nfs/dbraw/zinc/40/12/61/630401261.db2.gz FKMSMFDWWMHEBS-SUMWQHHRSA-N 1 0 303.475 3.035 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc3cnccc32)cc1 ZINC000841046097 630401702 /nfs/dbraw/zinc/40/17/02/630401702.db2.gz WBUCGOCXYRKEGI-FQEVSTJZSA-N 1 0 320.440 3.090 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000841045808 630401975 /nfs/dbraw/zinc/40/19/75/630401975.db2.gz QOHAQUJQWVHQDV-YQVWRLOYSA-N 1 0 301.478 3.311 20 10 DGCDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045776 630401995 /nfs/dbraw/zinc/40/19/95/630401995.db2.gz PTTBVVGXQIRPRI-IFXJQAMLSA-N 1 0 315.436 3.112 20 10 DGCDRO CN(C)c1ccc(/C=C/CNc2ccc(OCC[NH3+])cc2)cc1 ZINC000841053721 630402360 /nfs/dbraw/zinc/40/23/60/630402360.db2.gz AXCFALQYCSXCMK-ONEGZZNKSA-N 1 0 311.429 3.215 20 10 DGCDRO Cc1cc(O)c(CNc2ccc(OCC[NH3+])cc2)c(Cl)c1 ZINC000841053776 630402480 /nfs/dbraw/zinc/40/24/80/630402480.db2.gz BOEGPOHMXTVMPX-UHFFFAOYSA-N 1 0 306.793 3.304 20 10 DGCDRO Oc1c(Cl)cccc1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841081795 630405512 /nfs/dbraw/zinc/40/55/12/630405512.db2.gz FWGATCQDPYZRNW-UHFFFAOYSA-N 1 0 304.777 3.140 20 10 DGCDRO Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841081859 630405598 /nfs/dbraw/zinc/40/55/98/630405598.db2.gz HCHNGJUDNVHQIW-UHFFFAOYSA-N 1 0 311.429 3.155 20 10 DGCDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841298322 630424518 /nfs/dbraw/zinc/42/45/18/630424518.db2.gz ADTBJRFFWLMIBO-DOMZBBRYSA-N 1 0 316.405 3.113 20 10 DGCDRO Nc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000841297300 630424605 /nfs/dbraw/zinc/42/46/05/630424605.db2.gz DRLHACDTLCTPRP-UHFFFAOYSA-N 1 0 316.449 3.045 20 10 DGCDRO Nc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000841299764 630425097 /nfs/dbraw/zinc/42/50/97/630425097.db2.gz JPOISXRNBWZKML-UHFFFAOYSA-N 1 0 316.449 3.187 20 10 DGCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841688445 630454707 /nfs/dbraw/zinc/45/47/07/630454707.db2.gz HPDMIKCACOBFDI-INMHGKMJSA-N 1 0 319.445 3.465 20 10 DGCDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)cc1O ZINC000841745281 630461077 /nfs/dbraw/zinc/46/10/77/630461077.db2.gz PJHDAKUMMHNIFG-PZDALLCQSA-N 1 0 303.789 3.355 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841750440 630461967 /nfs/dbraw/zinc/46/19/67/630461967.db2.gz XGYZLVJOEJFRKT-XHDPSFHLSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H](CC(C)C)OC)CC2)cc1 ZINC000841756262 630462281 /nfs/dbraw/zinc/46/22/81/630462281.db2.gz SFCTWEBJNZUCIK-IBGZPJMESA-N 1 0 320.477 3.315 20 10 DGCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)cc1O ZINC000841759682 630462976 /nfs/dbraw/zinc/46/29/76/630462976.db2.gz PJHDAKUMMHNIFG-HKJPBSJPSA-N 1 0 303.789 3.355 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000841760760 630462981 /nfs/dbraw/zinc/46/29/81/630462981.db2.gz YQUTYPIOOVVVLH-SIIHOXLZSA-N 1 0 306.425 3.380 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O ZINC000841764589 630463174 /nfs/dbraw/zinc/46/31/74/630463174.db2.gz GWVNHXHJSIHCKP-GXSJLCMTSA-N 1 0 304.768 3.036 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)[C@H]1C ZINC000841889346 630473644 /nfs/dbraw/zinc/47/36/44/630473644.db2.gz BZEUDNMZZFGTIV-ILXRZTDVSA-N 1 0 306.425 3.139 20 10 DGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1c(O)ccc3ccncc31)CCOCC2 ZINC000842638212 630556811 /nfs/dbraw/zinc/55/68/11/630556811.db2.gz XNFYKXBTNUNBPL-CQSZACIVSA-N 1 0 312.413 3.331 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccnn1CC(C)C ZINC000842682099 630562559 /nfs/dbraw/zinc/56/25/59/630562559.db2.gz ZFQUQDNZVDGKBK-UHFFFAOYSA-N 1 0 300.450 3.203 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000842885323 630589485 /nfs/dbraw/zinc/58/94/85/630589485.db2.gz NCNBUVBGKICEJV-DLBZAZTESA-N 1 0 317.477 3.193 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NCc1cccs1 ZINC000842907926 630592805 /nfs/dbraw/zinc/59/28/05/630592805.db2.gz IJPOVEKZYUSWRF-SWLSCSKDSA-N 1 0 318.442 3.199 20 10 DGCDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000843046674 630608278 /nfs/dbraw/zinc/60/82/78/630608278.db2.gz YWAADUWUUYTZKT-APWZRJJASA-N 1 0 301.478 3.379 20 10 DGCDRO Oc1c(F)cccc1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000843051766 630609086 /nfs/dbraw/zinc/60/90/86/630609086.db2.gz DIZPGDRJPHDTRE-QGZVFWFLSA-N 1 0 314.404 3.286 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccc(-n2cccn2)c1 ZINC000843057322 630609597 /nfs/dbraw/zinc/60/95/97/630609597.db2.gz BUPSPHGNYXNZPM-UHFFFAOYSA-N 1 0 318.424 3.284 20 10 DGCDRO Cc1cc(O)c(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1C ZINC000843120028 630615762 /nfs/dbraw/zinc/61/57/62/630615762.db2.gz ZSSMEIMUOLQBNA-GOSISDBHSA-N 1 0 314.404 3.295 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000843117855 630615831 /nfs/dbraw/zinc/61/58/31/630615831.db2.gz UYEPNBRYMBLWKI-HXUWFJFHSA-N 1 0 324.472 3.074 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843127839 630617171 /nfs/dbraw/zinc/61/71/71/630617171.db2.gz TYLYTRKRFKRVOK-LBPRGKRZSA-N 1 0 312.816 3.006 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C\C2CCCCC2)cc1 ZINC000843296911 630643482 /nfs/dbraw/zinc/64/34/82/630643482.db2.gz COPOXDPIYWTRIJ-ZHJQRIIBSA-N 1 0 315.461 3.005 20 10 DGCDRO COC(=O)[C@@H](c1ccccc1C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349780 630648742 /nfs/dbraw/zinc/64/87/42/630648742.db2.gz BXNJGRZJGXGALW-LJQANCHMSA-N 1 0 324.424 3.121 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000843417151 630654124 /nfs/dbraw/zinc/65/41/24/630654124.db2.gz PWXLXBHBKWIXPH-YOEHRIQHSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000843417458 630654419 /nfs/dbraw/zinc/65/44/19/630654419.db2.gz UOQXQBIXDRBHCD-KGLIPLIRSA-N 1 0 322.449 3.482 20 10 DGCDRO C[C@H](C[NH3+])C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843487355 630662701 /nfs/dbraw/zinc/66/27/01/630662701.db2.gz DLUZQVODOMNEBJ-HUUCEWRRSA-N 1 0 312.413 3.077 20 10 DGCDRO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000844723318 630807288 /nfs/dbraw/zinc/80/72/88/630807288.db2.gz SRRPAKCIIBFWKR-AWEZNQCLSA-N 1 0 300.402 3.330 20 10 DGCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000845924724 631202298 /nfs/dbraw/zinc/20/22/98/631202298.db2.gz CRINQCACLZLKDV-QGZVFWFLSA-N 1 0 320.477 3.064 20 10 DGCDRO COc1cc(OC)c(C[NH2+]Cc2ccc(N(C)C)cc2)cc1F ZINC000845921362 631202307 /nfs/dbraw/zinc/20/23/07/631202307.db2.gz OALGSHOAWXRNNR-UHFFFAOYSA-N 1 0 318.392 3.199 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000845973351 631204413 /nfs/dbraw/zinc/20/44/13/631204413.db2.gz YDGAEDGCRRLBSF-GFCCVEGCSA-N 1 0 316.357 3.468 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000846015744 631206343 /nfs/dbraw/zinc/20/63/43/631206343.db2.gz DFQKJSRLKAUZKL-KZULUSFZSA-N 1 0 319.376 3.142 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c1 ZINC000846044796 631207863 /nfs/dbraw/zinc/20/78/63/631207863.db2.gz QFGIZXUMQNAWEZ-KSMMKXTCSA-N 1 0 315.413 3.348 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnn(C(C)C)c2)cc1 ZINC000846051648 631208412 /nfs/dbraw/zinc/20/84/12/631208412.db2.gz JXVLFDJGIPGXQA-UHFFFAOYSA-N 1 0 316.449 3.041 20 10 DGCDRO C[C@@H](CO)C1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000846057222 631208614 /nfs/dbraw/zinc/20/86/14/631208614.db2.gz FMBUFMMBPYRCDD-AWFCHZOYSA-N 1 0 302.462 3.106 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccccc1O ZINC000846123676 631211091 /nfs/dbraw/zinc/21/10/91/631211091.db2.gz UDCFAJPLLQQNJE-JKSUJKDBSA-N 1 0 312.413 3.209 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1O ZINC000846138215 631211417 /nfs/dbraw/zinc/21/14/17/631211417.db2.gz ZLRBYJOXGCXMBS-IUODEOHRSA-N 1 0 320.458 3.416 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)c1O ZINC000846142739 631211569 /nfs/dbraw/zinc/21/15/69/631211569.db2.gz VUCSIPPKGYJTJS-CABCVRRESA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)c1O ZINC000846142741 631211608 /nfs/dbraw/zinc/21/16/08/631211608.db2.gz VUCSIPPKGYJTJS-GJZGRUSLSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1O ZINC000846142603 631211619 /nfs/dbraw/zinc/21/16/19/631211619.db2.gz BAHWJDHAXNBAMR-BDJLRTHQSA-N 1 0 307.415 3.021 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)c1O ZINC000846142796 631211711 /nfs/dbraw/zinc/21/17/11/631211711.db2.gz CKMPCGJIFYHTHX-NVGCLXPQSA-N 1 0 319.376 3.313 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)c1O ZINC000846144356 631211782 /nfs/dbraw/zinc/21/17/82/631211782.db2.gz LWSGMHZQSHVURP-CHWSQXEVSA-N 1 0 301.386 3.305 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C12CCC2 ZINC000846144517 631211798 /nfs/dbraw/zinc/21/17/98/631211798.db2.gz HJCTZLPABQCNCA-VBNZEHGJSA-N 1 0 305.418 3.399 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c1O ZINC000846144110 631211813 /nfs/dbraw/zinc/21/18/13/631211813.db2.gz IAOWNYMYTMNREJ-ZDUSSCGKSA-N 1 0 311.385 3.208 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c1O ZINC000846143486 631211831 /nfs/dbraw/zinc/21/18/31/631211831.db2.gz JBAVFOADPWQJKB-KGLIPLIRSA-N 1 0 313.397 3.303 20 10 DGCDRO CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846144096 631211923 /nfs/dbraw/zinc/21/19/23/631211923.db2.gz JMJMRFHYBMPDHY-GJZGRUSLSA-N 1 0 306.450 3.316 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2nccn2CC(C)C)c1O ZINC000846145534 631211990 /nfs/dbraw/zinc/21/19/90/631211990.db2.gz LHQFGBVOYWMFKM-CYBMUJFWSA-N 1 0 303.406 3.104 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c1O ZINC000846147225 631212076 /nfs/dbraw/zinc/21/20/76/631212076.db2.gz UWOSZLRVQXSGGL-CHWSQXEVSA-N 1 0 301.386 3.388 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2C)c1O ZINC000846148888 631212278 /nfs/dbraw/zinc/21/22/78/631212278.db2.gz UGNNKHWVRUXGLW-CJNGLKHVSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)c1O ZINC000846154002 631212473 /nfs/dbraw/zinc/21/24/73/631212473.db2.gz IMIIJTLEYDOLRW-ABAIWWIYSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000846153201 631212480 /nfs/dbraw/zinc/21/24/80/631212480.db2.gz FXWQDKCAQBSRMO-PRXAMGSTSA-N 1 0 319.376 3.313 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1O ZINC000846157122 631212500 /nfs/dbraw/zinc/21/25/00/631212500.db2.gz AIQFOCRJWJLODR-ZIAGYGMSSA-N 1 0 321.417 3.127 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1O ZINC000846156238 631212520 /nfs/dbraw/zinc/21/25/20/631212520.db2.gz CVBFDYJXEMLEHF-SGTLLEGYSA-N 1 0 319.376 3.098 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc3OC2)c1O ZINC000846169045 631213181 /nfs/dbraw/zinc/21/31/81/631213181.db2.gz XOZIAYPSWAIFCR-UKRRQHHQSA-N 1 0 313.397 3.445 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c1O ZINC000846167170 631213229 /nfs/dbraw/zinc/21/32/29/631213229.db2.gz HIXPRPOXMICEEY-HOCLYGCPSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)c1O ZINC000846169351 631213334 /nfs/dbraw/zinc/21/33/34/631213334.db2.gz CYMSWYSGYKEOFS-SUNYJGFJSA-N 1 0 315.413 3.482 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2c(F)cncc2F)c1O ZINC000846173242 631213649 /nfs/dbraw/zinc/21/36/49/631213649.db2.gz QAJRRMLJFGCBBL-VHSXEESVSA-N 1 0 308.328 3.486 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)c(O)c1 ZINC000846181404 631213936 /nfs/dbraw/zinc/21/39/36/631213936.db2.gz ZQSDDEJNTJIBNP-FOIQADDNSA-N 1 0 311.425 3.228 20 10 DGCDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1=O ZINC000846210000 631214938 /nfs/dbraw/zinc/21/49/38/631214938.db2.gz VFWNSIZUCXRGIQ-UONOGXRCSA-N 1 0 312.413 3.064 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)CCF)c1ccc(N2CCCCC2)c(F)c1 ZINC000846209572 631214972 /nfs/dbraw/zinc/21/49/72/631214972.db2.gz SINZHQYXOHHPES-ZFWWWQNUSA-N 1 0 312.404 3.187 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000846672682 631282965 /nfs/dbraw/zinc/28/29/65/631282965.db2.gz JOLZAVZKKICPLW-FUHWJXTLSA-N 1 0 317.477 3.009 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1O ZINC000848497518 631669618 /nfs/dbraw/zinc/66/96/18/631669618.db2.gz MMHJWUZUQBTUIW-MRXNPFEDSA-N 1 0 305.418 3.243 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848516914 631673001 /nfs/dbraw/zinc/67/30/01/631673001.db2.gz FVNLPYOCYZBUOD-QGZVFWFLSA-N 1 0 311.385 3.438 20 10 DGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCSC)c1O ZINC000848513046 631673381 /nfs/dbraw/zinc/67/33/81/631673381.db2.gz COEPBJKDZBAYCN-MRVPVSSYSA-N 1 0 320.252 3.177 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)C[C@@H]3CCCOC3)c2c1 ZINC000107671967 631678834 /nfs/dbraw/zinc/67/88/34/631678834.db2.gz FLOIEFJFLDALKZ-AWEZNQCLSA-N 1 0 315.413 3.412 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000848556943 631691741 /nfs/dbraw/zinc/69/17/41/631691741.db2.gz DNLMPUVQQSEJLU-NCOADZHNSA-N 1 0 320.477 3.157 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)c(O)c1 ZINC000848559199 631692211 /nfs/dbraw/zinc/69/22/11/631692211.db2.gz QLOVLAPNQUDHAC-DYVFJYSZSA-N 1 0 310.397 3.305 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c(O)c1 ZINC000848559145 631693091 /nfs/dbraw/zinc/69/30/91/631693091.db2.gz AVHKQJJNTJZUAI-ROUUACIJSA-N 1 0 305.418 3.228 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000848560798 631693168 /nfs/dbraw/zinc/69/31/68/631693168.db2.gz RMRSKXWFGCPHAX-QZTJIDSGSA-N 1 0 305.418 3.228 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c(Cl)c1 ZINC000848567859 631695559 /nfs/dbraw/zinc/69/55/59/631695559.db2.gz REJWAMGPCIRZJG-IRXDYDNUSA-N 1 0 303.789 3.102 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c1O ZINC000848576749 631701637 /nfs/dbraw/zinc/70/16/37/631701637.db2.gz VYLSSKVSWMLQND-OAHLLOKOSA-N 1 0 305.418 3.372 20 10 DGCDRO CCCCNC(=O)C1CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000848882322 631769281 /nfs/dbraw/zinc/76/92/81/631769281.db2.gz YUXISSONSAWYCX-UHFFFAOYSA-N 1 0 318.461 3.083 20 10 DGCDRO CCc1cccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1O ZINC000848891265 631774300 /nfs/dbraw/zinc/77/43/00/631774300.db2.gz YBHWSLZXTXGNED-JOCHJYFZSA-N 1 0 317.454 3.324 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cccnc2OC(C)C)c1O ZINC000848891364 631774526 /nfs/dbraw/zinc/77/45/26/631774526.db2.gz PNAJAPKUHRWMRC-UHFFFAOYSA-N 1 0 300.402 3.427 20 10 DGCDRO CCc1cccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1O ZINC000848895575 631776891 /nfs/dbraw/zinc/77/68/91/631776891.db2.gz NVWOZIMPSPUBIB-UHFFFAOYSA-N 1 0 312.413 3.462 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000848898402 631777982 /nfs/dbraw/zinc/77/79/82/631777982.db2.gz BTBCOUOEEMRLIW-DOTOQJQBSA-N 1 0 307.459 3.099 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1O ZINC000848898951 631779062 /nfs/dbraw/zinc/77/90/62/631779062.db2.gz AWTAHLFOORXCOD-UHFFFAOYSA-N 1 0 300.358 3.195 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1O ZINC000848901739 631779447 /nfs/dbraw/zinc/77/94/47/631779447.db2.gz BFMWWDZNISJTPB-UHFFFAOYSA-N 1 0 315.417 3.200 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1O ZINC000848900914 631779683 /nfs/dbraw/zinc/77/96/83/631779683.db2.gz QUDAEGAXVHTCJF-LJQANCHMSA-N 1 0 315.388 3.187 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c1O ZINC000848926932 631790581 /nfs/dbraw/zinc/79/05/81/631790581.db2.gz JXPKCPMYIGPSFP-HNNXBMFYSA-N 1 0 323.433 3.247 20 10 DGCDRO C[C@H]1CCCN(c2ccc(CNC(=[NH2+])NC3CC3)cc2Cl)C1 ZINC000848986907 631798034 /nfs/dbraw/zinc/79/80/34/631798034.db2.gz KSKKVQGBXXUMLC-LBPRGKRZSA-N 1 0 320.868 3.353 20 10 DGCDRO Oc1ccc(Cl)cc1CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000849351680 631901765 /nfs/dbraw/zinc/90/17/65/631901765.db2.gz BAVQWGSFMXQKSQ-KRWDZBQOSA-N 1 0 318.804 3.319 20 10 DGCDRO COc1cc(C[NH2+]CC2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850101934 632056423 /nfs/dbraw/zinc/05/64/23/632056423.db2.gz WVTCHLJATBWBHE-UHFFFAOYSA-N 1 0 307.434 3.215 20 10 DGCDRO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000850113794 632059217 /nfs/dbraw/zinc/05/92/17/632059217.db2.gz VWBMTQZPGSGMQR-CQSZACIVSA-N 1 0 301.386 3.096 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)c2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850155821 632067442 /nfs/dbraw/zinc/06/74/42/632067442.db2.gz AMAWJKYOIQOQMC-LBPRGKRZSA-N 1 0 317.433 3.283 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000850155606 632067557 /nfs/dbraw/zinc/06/75/57/632067557.db2.gz DOWLJLFTLOBSEU-HIFRSBDPSA-N 1 0 321.461 3.339 20 10 DGCDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850343183 632119166 /nfs/dbraw/zinc/11/91/66/632119166.db2.gz QULHVOOIUFNXAX-OAHLLOKOSA-N 1 0 317.360 3.371 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(F)ccc3F)C2)cc1 ZINC000850345462 632120012 /nfs/dbraw/zinc/12/00/12/632120012.db2.gz BAKJDQDPTYAKRJ-HNNXBMFYSA-N 1 0 318.367 3.342 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCO[C@@H](C(C)C)C3)C2)cc1 ZINC000850346253 632120027 /nfs/dbraw/zinc/12/00/27/632120027.db2.gz DEZZPZLCNHPITG-TXPKVOOTSA-N 1 0 318.461 3.067 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(Cl)c1 ZINC000850354824 632122666 /nfs/dbraw/zinc/12/26/66/632122666.db2.gz BBZRFHFCORIAGZ-FKANQGBASA-N 1 0 315.866 3.133 20 10 DGCDRO Fc1cc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1N1CCOCC1 ZINC000850377718 632132139 /nfs/dbraw/zinc/13/21/39/632132139.db2.gz JMTAFGMQKGUYJO-IKGGRYGDSA-N 1 0 318.436 3.188 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)CN2CCC(C)CC2)c(O)c1 ZINC000850387550 632135760 /nfs/dbraw/zinc/13/57/60/632135760.db2.gz UNUXTYBGJMMMTO-OAHLLOKOSA-N 1 0 306.450 3.001 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CN2CCC(C)CC2)c1 ZINC000850387570 632135876 /nfs/dbraw/zinc/13/58/76/632135876.db2.gz UWAXPZYUMAMNAI-HNNXBMFYSA-N 1 0 306.450 3.001 20 10 DGCDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c(O)c(C(C)(C)C)c1 ZINC000850388516 632137028 /nfs/dbraw/zinc/13/70/28/632137028.db2.gz NIGLHAXHUBYORD-JKSUJKDBSA-N 1 0 319.445 3.091 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCc2cncc(C)n2)cc1F ZINC000850390365 632137078 /nfs/dbraw/zinc/13/70/78/632137078.db2.gz GDBZSCYSGLXRBN-UHFFFAOYSA-N 1 0 316.424 3.103 20 10 DGCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850405861 632142297 /nfs/dbraw/zinc/14/22/97/632142297.db2.gz IEFZHNOMWGEMSW-RDJZCZTQSA-N 1 0 302.462 3.316 20 10 DGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000850412057 632144506 /nfs/dbraw/zinc/14/45/06/632144506.db2.gz SIPPYJTWBFXZSJ-SJCJKPOMSA-N 1 0 305.805 3.300 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)c(O)c1 ZINC000850419400 632146860 /nfs/dbraw/zinc/14/68/60/632146860.db2.gz DKNQJEZPTADELT-ACJLOTCBSA-N 1 0 301.386 3.003 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCC34CC4)cc2F)CC1 ZINC000850427160 632149594 /nfs/dbraw/zinc/14/95/94/632149594.db2.gz ODTVSWVNZUOHBQ-SFHVURJKSA-N 1 0 318.436 3.209 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)C(F)F ZINC000850427613 632149625 /nfs/dbraw/zinc/14/96/25/632149625.db2.gz XJIOJWMTWSSTSD-ZDUSSCGKSA-N 1 0 312.404 3.293 20 10 DGCDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000850429513 632149831 /nfs/dbraw/zinc/14/98/31/632149831.db2.gz FXKMEHHDPYNJSZ-ZDUSSCGKSA-N 1 0 305.418 3.079 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000850474319 632163735 /nfs/dbraw/zinc/16/37/35/632163735.db2.gz MAPBDKFONLYOIF-MAUKXSAKSA-N 1 0 312.461 3.313 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCCC23CC3)cc(F)c1N1CCOCC1 ZINC000850475416 632164237 /nfs/dbraw/zinc/16/42/37/632164237.db2.gz XSEVZELHKYEFQC-INIZCTEOSA-N 1 0 322.399 3.224 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCCC23CC3)cc(F)c1N1CCOCC1 ZINC000850475417 632164241 /nfs/dbraw/zinc/16/42/41/632164241.db2.gz XSEVZELHKYEFQC-MRXNPFEDSA-N 1 0 322.399 3.224 20 10 DGCDRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(Br)ccc1O ZINC000850482971 632165942 /nfs/dbraw/zinc/16/59/42/632165942.db2.gz TUXMWGQJXMCUCS-MWLCHTKSSA-N 1 0 314.223 3.373 20 10 DGCDRO COC[C@H](CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)OC ZINC000850485561 632166978 /nfs/dbraw/zinc/16/69/78/632166978.db2.gz LBZOLQAMWQZYDJ-APWZRJJASA-N 1 0 320.477 3.379 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000850487111 632167737 /nfs/dbraw/zinc/16/77/37/632167737.db2.gz GBWVDTPEGWESHW-KRWDZBQOSA-N 1 0 308.425 3.031 20 10 DGCDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487907 632168499 /nfs/dbraw/zinc/16/84/99/632168499.db2.gz JZUGMPUTZZSALQ-TXPKVOOTSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCc4cccnc43)C2)cc1 ZINC000850488580 632168618 /nfs/dbraw/zinc/16/86/18/632168618.db2.gz NKDINWXTPUTPOY-QFBILLFUSA-N 1 0 323.440 3.336 20 10 DGCDRO CC[C@H]([NH2+][C@@H](COC)C1CCOCC1)c1ccc(C)cc1O ZINC000850494748 632170666 /nfs/dbraw/zinc/17/06/66/632170666.db2.gz XXXJSMFCZAMDEU-IRXDYDNUSA-N 1 0 307.434 3.183 20 10 DGCDRO CC[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(C)cc1O ZINC000850496040 632171483 /nfs/dbraw/zinc/17/14/83/632171483.db2.gz MKUBLIKZUQCLGW-GTJPDFRWSA-N 1 0 323.380 3.052 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2c(OC)cccc2OC)c1O ZINC000850505208 632174479 /nfs/dbraw/zinc/17/44/79/632174479.db2.gz PCTOVJJYLHQFDU-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1ccc(F)cc1[O-] ZINC000850537480 632186177 /nfs/dbraw/zinc/18/61/77/632186177.db2.gz QSWGTAZXLZJTME-YGRLFVJLSA-N 1 0 305.324 3.325 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCN(C3CCCCC3)C1)CC2 ZINC000850538927 632186775 /nfs/dbraw/zinc/18/67/75/632186775.db2.gz OGWGKIGDIHOKQL-WBVHZDCISA-N 1 0 300.446 3.376 20 10 DGCDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565690 632195459 /nfs/dbraw/zinc/19/54/59/632195459.db2.gz HILWOFPIPCPRGT-SFHVURJKSA-N 1 0 302.462 3.316 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCCC4)cc2)CC1 ZINC000850568387 632196495 /nfs/dbraw/zinc/19/64/95/632196495.db2.gz WVGLAGTZYUZVBS-LJQANCHMSA-N 1 0 314.473 3.460 20 10 DGCDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850568330 632196662 /nfs/dbraw/zinc/19/66/62/632196662.db2.gz VOPQYNXKPHDNMP-INIZCTEOSA-N 1 0 302.462 3.316 20 10 DGCDRO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(F)ccc1O ZINC000850566289 632196686 /nfs/dbraw/zinc/19/66/86/632196686.db2.gz KYJGONZSUXQFQL-JTQLQIEISA-N 1 0 303.324 3.122 20 10 DGCDRO CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000850572575 632198304 /nfs/dbraw/zinc/19/83/04/632198304.db2.gz DLQQZJPUKJNAFY-CQSZACIVSA-N 1 0 317.429 3.481 20 10 DGCDRO C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000850572862 632198602 /nfs/dbraw/zinc/19/86/02/632198602.db2.gz HDKNMGRVAQBVGC-HNNXBMFYSA-N 1 0 317.477 3.229 20 10 DGCDRO C[N@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000109772767 632316350 /nfs/dbraw/zinc/31/63/50/632316350.db2.gz JYVJJJIEEKTBQR-UHFFFAOYSA-N 1 0 315.369 3.022 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000851718420 632474202 /nfs/dbraw/zinc/47/42/02/632474202.db2.gz XFMSGSSGRMNTBC-BCDXTJNWSA-N 1 0 300.446 3.001 20 10 DGCDRO COCCN(CCF)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000852479675 632609196 /nfs/dbraw/zinc/60/91/96/632609196.db2.gz JCOIJTQJEVTGEW-UHFFFAOYSA-N 1 0 308.441 3.403 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2OC)c1 ZINC000184861449 660192025 /nfs/dbraw/zinc/19/20/25/660192025.db2.gz PKBYEWSTTJIHEA-ZDUSSCGKSA-N 1 0 301.386 3.303 20 10 DGCDRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185117128 660202546 /nfs/dbraw/zinc/20/25/46/660202546.db2.gz IINQSKHSAFUOST-HOCLYGCPSA-N 1 0 317.429 3.230 20 10 DGCDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185021294 660199021 /nfs/dbraw/zinc/19/90/21/660199021.db2.gz CAQXYSCMJIGEGA-NSHDSACASA-N 1 0 302.349 3.341 20 10 DGCDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185186696 660206570 /nfs/dbraw/zinc/20/65/70/660206570.db2.gz SJBBCTSBIVYWIQ-LBPRGKRZSA-N 1 0 319.376 3.442 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1 ZINC000185195599 660206761 /nfs/dbraw/zinc/20/67/61/660206761.db2.gz OBKFSBMZKIHWLM-AEFFLSMTSA-N 1 0 307.434 3.474 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)CC2CCCCC2)c1 ZINC000186033033 660262050 /nfs/dbraw/zinc/26/20/50/660262050.db2.gz ZRDVUVDIWNNPQM-HNNXBMFYSA-N 1 0 318.461 3.438 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(C)c2)c1 ZINC000186124547 660268880 /nfs/dbraw/zinc/26/88/80/660268880.db2.gz HBSVMDZRPLKPAU-SCLBCKFNSA-N 1 0 301.386 3.093 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c(O)c1 ZINC000186230621 660350558 /nfs/dbraw/zinc/35/05/58/660350558.db2.gz QHAKACTYUQWQKB-CABCVRRESA-N 1 0 305.418 3.427 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c(O)c1 ZINC000186230637 660350721 /nfs/dbraw/zinc/35/07/21/660350721.db2.gz QHAKACTYUQWQKB-GJZGRUSLSA-N 1 0 305.418 3.427 20 10 DGCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186354202 660376693 /nfs/dbraw/zinc/37/66/93/660376693.db2.gz FKEYMZJHMPFOKU-ZDUSSCGKSA-N 1 0 318.461 3.084 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CC(C)C)C2)cc1C ZINC000998413350 660387935 /nfs/dbraw/zinc/38/79/35/660387935.db2.gz LGOYWUPHSNSSSD-KRWDZBQOSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)C)C2)cc1C ZINC000999725639 660425377 /nfs/dbraw/zinc/42/53/77/660425377.db2.gz JZKKCJGLXWKGCY-UHFFFAOYSA-N 1 0 318.461 3.129 20 10 DGCDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000701119997 660654362 /nfs/dbraw/zinc/65/43/62/660654362.db2.gz WDMNQOLEHOSCBE-XPTSAGLGSA-N 1 0 314.223 3.058 20 10 DGCDRO CCC(CC)[C@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000706830327 660874092 /nfs/dbraw/zinc/87/40/92/660874092.db2.gz PYBCLKMROBSBJL-CQSZACIVSA-N 1 0 316.239 3.041 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CCCOCC1CC1 ZINC000706875433 660875724 /nfs/dbraw/zinc/87/57/24/660875724.db2.gz ZMHQYNFSKTYNCY-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CS1 ZINC000706872015 660875952 /nfs/dbraw/zinc/87/59/52/660875952.db2.gz BOTHUCYTMRRFLX-RKDXNWHRSA-N 1 0 302.237 3.138 20 10 DGCDRO COCC1(C[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000706884858 660879374 /nfs/dbraw/zinc/87/93/74/660879374.db2.gz JUGVNPNQEYQFTP-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO CCOC[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707144532 660888649 /nfs/dbraw/zinc/88/86/49/660888649.db2.gz ODCMYCDJZVRIKV-NSHDSACASA-N 1 0 314.223 3.013 20 10 DGCDRO CCOC[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000708270681 660919419 /nfs/dbraw/zinc/91/94/19/660919419.db2.gz LOFWTUYCJABOGW-NSHDSACASA-N 1 0 314.223 3.013 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CF)C2)c1O ZINC000711501394 660955455 /nfs/dbraw/zinc/95/54/55/660955455.db2.gz DXMNGIIDMWRPKD-SNVBAGLBSA-N 1 0 302.187 3.255 20 10 DGCDRO CO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792795306 660985343 /nfs/dbraw/zinc/98/53/43/660985343.db2.gz RVGMWWIBOYTTQQ-AWEZNQCLSA-N 1 0 316.367 3.382 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)C(C)(C)C)c(C(F)(F)F)c1 ZINC000793076286 661003780 /nfs/dbraw/zinc/00/37/80/661003780.db2.gz NYUPALRADWTFCA-CQSZACIVSA-N 1 0 318.383 3.268 20 10 DGCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(F)CC3)cc2F)C[C@H](C)O1 ZINC000792920245 660993668 /nfs/dbraw/zinc/99/36/68/660993668.db2.gz RVORHSOFTDATCW-BETUJISGSA-N 1 0 310.388 3.031 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCC(C)(C)C(=O)OC)cc1 ZINC000792922389 660993707 /nfs/dbraw/zinc/99/37/07/660993707.db2.gz XZXZECBYMBVVPU-UHFFFAOYSA-N 1 0 306.450 3.212 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](CCO)C2CC2)c(C(F)(F)F)c1 ZINC000792991749 660998787 /nfs/dbraw/zinc/99/87/87/660998787.db2.gz JALFSHDMAIJGNF-HNNXBMFYSA-N 1 0 316.367 3.022 20 10 DGCDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792998207 660999185 /nfs/dbraw/zinc/99/91/85/660999185.db2.gz SGEWUHNXIDWGOV-HNNXBMFYSA-N 1 0 318.383 3.268 20 10 DGCDRO CC[C@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792993614 660999262 /nfs/dbraw/zinc/99/92/62/660999262.db2.gz YJULYFXJWOYDFL-GFCCVEGCSA-N 1 0 304.356 3.022 20 10 DGCDRO CCC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](O)c1ccccc1 ZINC000793241301 661017033 /nfs/dbraw/zinc/01/70/33/661017033.db2.gz ODEJTUIHBWTTLQ-WMZOPIPTSA-N 1 0 315.413 3.393 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ncccc1O ZINC000793256235 661019037 /nfs/dbraw/zinc/01/90/37/661019037.db2.gz LERZTHFQPQMSFX-UHFFFAOYSA-N 1 0 306.365 3.450 20 10 DGCDRO COC[C@@H](CO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000793324861 661024639 /nfs/dbraw/zinc/02/46/39/661024639.db2.gz NDALEONZSHVRSE-OAHLLOKOSA-N 1 0 323.477 3.084 20 10 DGCDRO COc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)c(O)c1 ZINC000793386055 661029106 /nfs/dbraw/zinc/02/91/06/661029106.db2.gz IJHTWDXPQCLWJR-UHFFFAOYSA-N 1 0 304.415 3.026 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)c(O)c1 ZINC000793386293 661029190 /nfs/dbraw/zinc/02/91/90/661029190.db2.gz KKWGFOJMXPNTHT-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2C)c(O)c1 ZINC000793387567 661029323 /nfs/dbraw/zinc/02/93/23/661029323.db2.gz HNEWCHSVGUTWNF-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1 ZINC000793573599 661047103 /nfs/dbraw/zinc/04/71/03/661047103.db2.gz RSZBLRLJUGLPSM-GFCCVEGCSA-N 1 0 311.385 3.170 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1C(C)C ZINC000794661305 661097038 /nfs/dbraw/zinc/09/70/38/661097038.db2.gz HDJYCBQYZMVQGV-KXBFYZLASA-N 1 0 319.445 3.204 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1C(C)C ZINC000794661300 661097358 /nfs/dbraw/zinc/09/73/58/661097358.db2.gz HDJYCBQYZMVQGV-BEFAXECRSA-N 1 0 319.445 3.204 20 10 DGCDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000794706329 661100205 /nfs/dbraw/zinc/10/02/05/661100205.db2.gz OVZRDCCQHSSANP-CJNGLKHVSA-N 1 0 305.418 3.076 20 10 DGCDRO CC[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(C)cc1O ZINC000794799936 661105610 /nfs/dbraw/zinc/10/56/10/661105610.db2.gz ALNYXDJKTDXQKG-GOSISDBHSA-N 1 0 311.425 3.271 20 10 DGCDRO CC[C@H]([NH2+]CCc1nnc2ccccn21)c1ccc(C)cc1O ZINC000794796030 661105778 /nfs/dbraw/zinc/10/57/78/661105778.db2.gz RHAHTJVVFPOKFH-HNNXBMFYSA-N 1 0 310.401 3.027 20 10 DGCDRO CC[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(C)cc1O ZINC000794802863 661105968 /nfs/dbraw/zinc/10/59/68/661105968.db2.gz OYJYUSDNPVXCMJ-RDJZCZTQSA-N 1 0 307.434 3.185 20 10 DGCDRO CC[C@@H]([NH2+]CCCNc1ncccn1)c1ccc(C)cc1O ZINC000794810625 661106694 /nfs/dbraw/zinc/10/66/94/661106694.db2.gz MIQNUYYHLQYRFE-OAHLLOKOSA-N 1 0 300.406 3.034 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cc2c(cc1O)CCCC2 ZINC000794832880 661108353 /nfs/dbraw/zinc/10/83/53/661108353.db2.gz IDGOOOXNFXXDBU-SUMWQHHRSA-N 1 0 303.446 3.473 20 10 DGCDRO CC(=O)c1cc(F)cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000175740511 655541279 /nfs/dbraw/zinc/54/12/79/655541279.db2.gz QWMUTEGPZQTKTF-MRXNPFEDSA-N 1 0 322.424 3.040 20 10 DGCDRO CCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000969784535 655557557 /nfs/dbraw/zinc/55/75/57/655557557.db2.gz UJVCWWWXXDEAKS-MRXNPFEDSA-N 1 0 318.461 3.130 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](C)COC)c1cc(Br)ccc1O ZINC000045656568 655626237 /nfs/dbraw/zinc/62/62/37/655626237.db2.gz CRIDQSKPJSTKRC-GXFFZTMASA-N 1 0 316.239 3.478 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cncn2C)c1O ZINC000289978365 655691254 /nfs/dbraw/zinc/69/12/54/655691254.db2.gz XUQZXRFHESLYIL-SNVBAGLBSA-N 1 0 324.222 3.047 20 10 DGCDRO CNC(=O)C[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)c1ccccc1 ZINC000795849978 661175741 /nfs/dbraw/zinc/17/57/41/661175741.db2.gz SAUQBMALZZTGKC-RHSMWYFYSA-N 1 0 312.413 3.229 20 10 DGCDRO C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000044534505 655772995 /nfs/dbraw/zinc/77/29/95/655772995.db2.gz CIPVCWMHIVLCSB-JTQLQIEISA-N 1 0 303.233 3.130 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000798005702 661187282 /nfs/dbraw/zinc/18/72/82/661187282.db2.gz YRGNKTKLZZVZNC-GDIGMMSISA-N 1 0 300.446 3.362 20 10 DGCDRO CC[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Cl)ccc1O ZINC000798005569 661187347 /nfs/dbraw/zinc/18/73/47/661187347.db2.gz WVUGTWNRQDMJPA-RNODOKPDSA-N 1 0 315.866 3.388 20 10 DGCDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000066080667 655931400 /nfs/dbraw/zinc/93/14/00/655931400.db2.gz GFNSENKXGVXBAU-CQSZACIVSA-N 1 0 312.413 3.023 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C(C)C)cc1C ZINC001024872990 655946800 /nfs/dbraw/zinc/94/68/00/655946800.db2.gz CKHLNAXWEKZQIM-QGZVFWFLSA-N 1 0 318.461 3.130 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000715102798 661208292 /nfs/dbraw/zinc/20/82/92/661208292.db2.gz GKTWXCNHAVRGEB-CTYIDZIISA-N 1 0 320.433 3.094 20 10 DGCDRO CC(C)(CC[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000328562700 656060537 /nfs/dbraw/zinc/06/05/37/656060537.db2.gz IHSGZPPAKAPUIZ-UHFFFAOYSA-N 1 0 302.462 3.439 20 10 DGCDRO CSCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000309837034 656075306 /nfs/dbraw/zinc/07/53/06/656075306.db2.gz BOMLBHMVBIZSCP-SECBINFHSA-N 1 0 304.253 3.477 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCCn2cc(C)cn2)c1 ZINC000182369009 656105240 /nfs/dbraw/zinc/10/52/40/656105240.db2.gz QMLRHCSSNKTSBL-HNNXBMFYSA-N 1 0 317.433 3.427 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c1 ZINC000186094617 656129946 /nfs/dbraw/zinc/12/99/46/656129946.db2.gz ZMQJCNWMFPZOPS-ZSEKCTLFSA-N 1 0 303.427 3.289 20 10 DGCDRO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCCO1 ZINC000125348956 656272946 /nfs/dbraw/zinc/27/29/46/656272946.db2.gz LUKGXISHJMNEBN-HNNXBMFYSA-N 1 0 307.434 3.396 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C(C)C)cc1C ZINC001036950369 661265959 /nfs/dbraw/zinc/26/59/59/661265959.db2.gz UFVIHFCWWAGBRQ-IRXDYDNUSA-N 1 0 318.461 3.034 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000319788011 656706778 /nfs/dbraw/zinc/70/67/78/656706778.db2.gz MQYJQLLRGOQPQC-VXGBXAGGSA-N 1 0 311.385 3.282 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1C ZINC000840963938 656859593 /nfs/dbraw/zinc/85/95/93/656859593.db2.gz TZSWDNBAERNWLK-INIZCTEOSA-N 1 0 303.377 3.014 20 10 DGCDRO CCOc1cccc(C[NH2+]CCc2cc(F)cc(F)c2)c1O ZINC000236933551 656989180 /nfs/dbraw/zinc/98/91/80/656989180.db2.gz PEHQQUCCYHUQHQ-UHFFFAOYSA-N 1 0 307.340 3.401 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000178853602 657087829 /nfs/dbraw/zinc/08/78/29/657087829.db2.gz PCADMVKCIGKSJE-UHFFFAOYSA-N 1 0 316.357 3.249 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccccc2OC)c1 ZINC000237205519 657379881 /nfs/dbraw/zinc/37/98/81/657379881.db2.gz FLUOABFRTWFFFQ-ZDUSSCGKSA-N 1 0 301.386 3.130 20 10 DGCDRO COc1cccc(C[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)c1O ZINC000237214421 657382874 /nfs/dbraw/zinc/38/28/74/657382874.db2.gz SAKNMWJWPDWXBE-KDOFPFPSSA-N 1 0 306.450 3.001 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2OC(C)C)c1 ZINC000320447656 657542519 /nfs/dbraw/zinc/54/25/19/657542519.db2.gz JFPWKTLBJKYYJO-CYBMUJFWSA-N 1 0 316.401 3.434 20 10 DGCDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccco1 ZINC000067506088 657602403 /nfs/dbraw/zinc/60/24/03/657602403.db2.gz QICJEZOPWYBCOT-KRWDZBQOSA-N 1 0 314.429 3.387 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000305147696 657687181 /nfs/dbraw/zinc/68/71/81/657687181.db2.gz SHEIYFMNWZIUOA-QGZVFWFLSA-N 1 0 306.425 3.065 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000321475051 658195517 /nfs/dbraw/zinc/19/55/17/658195517.db2.gz BWWKHMWZKQPIMD-MSOLQXFVSA-N 1 0 317.477 3.009 20 10 DGCDRO C/C=C(\C)C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC000988512188 658350861 /nfs/dbraw/zinc/35/08/61/658350861.db2.gz LMVGFRPNUYMBIO-GTUVBKISSA-N 1 0 316.445 3.049 20 10 DGCDRO COc1cccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)c1O ZINC000237374657 658377739 /nfs/dbraw/zinc/37/77/39/658377739.db2.gz AYSXOAPVQGLROX-UHFFFAOYSA-N 1 0 314.360 3.354 20 10 DGCDRO CCC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001019314588 658631279 /nfs/dbraw/zinc/63/12/79/658631279.db2.gz UJVCWWWXXDEAKS-INIZCTEOSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1OC ZINC000128491734 658747959 /nfs/dbraw/zinc/74/79/59/658747959.db2.gz SQUJKDKXHSJIQT-UHFFFAOYSA-N 1 0 314.429 3.402 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000164601614 658938672 /nfs/dbraw/zinc/93/86/72/658938672.db2.gz RHIFCBHKJNVAFK-ZFWWWQNUSA-N 1 0 321.461 3.434 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000156776588 658942797 /nfs/dbraw/zinc/94/27/97/658942797.db2.gz OARNDDJVHUEVRT-QFBILLFUSA-N 1 0 310.441 3.311 20 10 DGCDRO C[C@H]([NH2+]CCCOCC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000157455831 659064133 /nfs/dbraw/zinc/06/41/33/659064133.db2.gz XGWCOCDMFNOVLE-INIZCTEOSA-N 1 0 320.477 3.237 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000226648882 659133619 /nfs/dbraw/zinc/13/36/19/659133619.db2.gz CXXDYVIEXCTJJS-OAHLLOKOSA-N 1 0 320.433 3.103 20 10 DGCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC000227687556 659160885 /nfs/dbraw/zinc/16/08/85/659160885.db2.gz NWYSCQHVPWGZOG-JTQLQIEISA-N 1 0 314.813 3.048 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000227689286 659161830 /nfs/dbraw/zinc/16/18/30/659161830.db2.gz SQTGKCDANSEYRX-UONOGXRCSA-N 1 0 321.465 3.316 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCSC(C)(C)CC2)c1O ZINC000228089179 659173326 /nfs/dbraw/zinc/17/33/26/659173326.db2.gz XBAGJMIYJIJJKR-UHFFFAOYSA-N 1 0 311.422 3.451 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCc2ccc(O)cc2)c1O ZINC000228672503 659202030 /nfs/dbraw/zinc/20/20/30/659202030.db2.gz ABJJNVMHFTUTIR-UHFFFAOYSA-N 1 0 307.777 3.092 20 10 DGCDRO COc1c(C)cnc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1C ZINC000171233922 659268489 /nfs/dbraw/zinc/26/84/89/659268489.db2.gz NXVUVEQJAIDIHC-UHFFFAOYSA-N 1 0 313.445 3.405 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3c2OCCO3)cc1 ZINC000171342851 659275479 /nfs/dbraw/zinc/27/54/79/659275479.db2.gz MUXUWRSGPIJTFI-UHFFFAOYSA-N 1 0 312.413 3.156 20 10 DGCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000173397750 659384316 /nfs/dbraw/zinc/38/43/16/659384316.db2.gz GPGQMOJRFOSVEA-MRXNPFEDSA-N 1 0 321.461 3.309 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC(=O)N2CCCc3ccccc32)cc1C ZINC000174313412 659429001 /nfs/dbraw/zinc/42/90/01/659429001.db2.gz HJEBIQYNWXRZAY-UHFFFAOYSA-N 1 0 324.424 3.078 20 10 DGCDRO CCOc1cccc(C[NH2+]CCOc2cccc(C)c2)c1O ZINC000067905567 659930120 /nfs/dbraw/zinc/93/01/20/659930120.db2.gz CJHAHKJCSMQCSI-UHFFFAOYSA-N 1 0 301.386 3.268 20 10 DGCDRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2O)C1)c1ccccc1 ZINC000179566926 659933666 /nfs/dbraw/zinc/93/36/66/659933666.db2.gz MDIWJHYUMHKNBN-MRXNPFEDSA-N 1 0 324.424 3.034 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1ccccc1O ZINC000179873234 659944966 /nfs/dbraw/zinc/94/49/66/659944966.db2.gz TWBHBMKPPQNRBU-CQSZACIVSA-N 1 0 310.397 3.022 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1O ZINC000179900692 659945210 /nfs/dbraw/zinc/94/52/10/659945210.db2.gz OPQCLWPGUVMXGQ-SECBINFHSA-N 1 0 324.302 3.099 20 10 DGCDRO Cc1cccc(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000179944581 659947379 /nfs/dbraw/zinc/94/73/79/659947379.db2.gz MRHMNNRNFXJDDM-UHFFFAOYSA-N 1 0 320.433 3.001 20 10 DGCDRO CC[N@@H+](Cc1cc(F)ccc1O)C[C@H](O)c1ccc(C)cc1 ZINC000180195795 659955336 /nfs/dbraw/zinc/95/53/36/659955336.db2.gz PHZKVPWULMVWKX-SFHVURJKSA-N 1 0 303.377 3.395 20 10 DGCDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000180253131 659957234 /nfs/dbraw/zinc/95/72/34/659957234.db2.gz PPLWDIJIROWFRF-VERVWZFWSA-N 1 0 321.417 3.462 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCc3c(cccc3OC)C2)c1O ZINC000181452369 660000639 /nfs/dbraw/zinc/00/06/39/660000639.db2.gz CBFRMBXDTMPRDS-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070169475 660040223 /nfs/dbraw/zinc/04/02/23/660040223.db2.gz JJCVAQVYUPNASK-JTQLQIEISA-N 1 0 303.233 3.260 20 10 DGCDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182315413 660042270 /nfs/dbraw/zinc/04/22/70/660042270.db2.gz KUKWALXSQLSYIN-GFCCVEGCSA-N 1 0 315.369 3.038 20 10 DGCDRO CCCCC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182406290 660051427 /nfs/dbraw/zinc/05/14/27/660051427.db2.gz VVDWINXUYUOJAT-KGLIPLIRSA-N 1 0 322.449 3.136 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183209516 660104401 /nfs/dbraw/zinc/10/44/01/660104401.db2.gz HAEKMBQBTFCRDG-KRWDZBQOSA-N 1 0 317.360 3.193 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccccc1O ZINC000183393152 660109896 /nfs/dbraw/zinc/10/98/96/660109896.db2.gz WUQODLYZUXHESC-OAHLLOKOSA-N 1 0 307.397 3.488 20 10 DGCDRO C[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccccc1O ZINC000183604354 660126146 /nfs/dbraw/zinc/12/61/46/660126146.db2.gz FJMYGKAPJGYVKN-AWEZNQCLSA-N 1 0 304.434 3.129 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccccc1O ZINC000183671815 660129836 /nfs/dbraw/zinc/12/98/36/660129836.db2.gz VNJJPCCTWGPJGR-QRHJNKNDSA-N 1 0 305.418 3.365 20 10 DGCDRO C[C@@H]([NH2+]CCC1(C)OCCO1)c1cc2c(cc1O)CCCC2 ZINC000183895803 660146193 /nfs/dbraw/zinc/14/61/93/660146193.db2.gz QVTZRCOAWNRMTJ-CYBMUJFWSA-N 1 0 305.418 3.075 20 10 DGCDRO C[C@H]([NH2+]CCC1(C)OCCO1)c1cc2c(cc1O)CCCC2 ZINC000183895780 660146205 /nfs/dbraw/zinc/14/62/05/660146205.db2.gz QVTZRCOAWNRMTJ-ZDUSSCGKSA-N 1 0 305.418 3.075 20 10 DGCDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000184566793 660173471 /nfs/dbraw/zinc/17/34/71/660173471.db2.gz YYQCHAUAVVSFFD-CQSZACIVSA-N 1 0 306.425 3.331 20 10 DGCDRO CC(=O)c1cc(F)cc(CN2CCC(c3ncco3)CC2)c1O ZINC000931448460 661477161 /nfs/dbraw/zinc/47/71/61/661477161.db2.gz GBSKRAAXRIEVSU-UHFFFAOYSA-N 1 0 318.348 3.102 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)cc1 ZINC000932136390 661541216 /nfs/dbraw/zinc/54/12/16/661541216.db2.gz MNYKJWCSQBWGPT-KRWDZBQOSA-N 1 0 312.461 3.256 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1O ZINC000932380837 661564354 /nfs/dbraw/zinc/56/43/54/661564354.db2.gz WYURIBNFJKTMMK-QGZVFWFLSA-N 1 0 314.360 3.370 20 10 DGCDRO CC[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000156270741 661861344 /nfs/dbraw/zinc/86/13/44/661861344.db2.gz XNRZDFVZHBGECE-CQSZACIVSA-N 1 0 306.406 3.052 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cncs3)CC2)cc1 ZINC000157390807 661867506 /nfs/dbraw/zinc/86/75/06/661867506.db2.gz VQUNMZBJSMMHCG-CYBMUJFWSA-N 1 0 317.458 3.471 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)OC)CC2)cc1F ZINC000159198769 661883627 /nfs/dbraw/zinc/88/36/27/661883627.db2.gz NFMYIOGNLMTGRR-UHFFFAOYSA-N 1 0 322.424 3.057 20 10 DGCDRO CCCN(CC[NH2+]Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000159274211 661884886 /nfs/dbraw/zinc/88/48/86/661884886.db2.gz HNKWUYCBJAHLJG-UHFFFAOYSA-N 1 0 308.422 3.129 20 10 DGCDRO CC[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000159356900 661886424 /nfs/dbraw/zinc/88/64/24/661886424.db2.gz CLUSTXGEVYZXPA-CQSZACIVSA-N 1 0 304.356 3.372 20 10 DGCDRO CCCCCNC(=O)[C@@H](C)[N@H+](CCC)Cc1ccccc1O ZINC000076073954 661966758 /nfs/dbraw/zinc/96/67/58/661966758.db2.gz YJKFXCGWICIEIR-OAHLLOKOSA-N 1 0 306.450 3.299 20 10 DGCDRO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](CCC)Cc1ccccc1O ZINC000076074408 661966894 /nfs/dbraw/zinc/96/68/94/661966894.db2.gz TVLNVRNFBVTWNR-CABCVRRESA-N 1 0 306.450 3.298 20 10 DGCDRO COC[C@@H]1C[N@H+](Cc2cc(C(C)C)c(C)cc2O)C[C@@H](C)O1 ZINC000190219216 662023232 /nfs/dbraw/zinc/02/32/32/662023232.db2.gz MQJZEDXUZGUWAE-ZBFHGGJFSA-N 1 0 307.434 3.060 20 10 DGCDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000191564937 662072709 /nfs/dbraw/zinc/07/27/09/662072709.db2.gz XAMKVCDYHJRKJR-XJKSGUPXSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000192958034 662117555 /nfs/dbraw/zinc/11/75/55/662117555.db2.gz YNEHRASEEUGMDO-ZDUSSCGKSA-N 1 0 308.422 3.012 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000090178141 662255057 /nfs/dbraw/zinc/25/50/57/662255057.db2.gz BHBJBERRFMVIRM-RDJZCZTQSA-N 1 0 317.477 3.193 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000247247999 662304951 /nfs/dbraw/zinc/30/49/51/662304951.db2.gz YCQVJQZHXWGCFM-ZOBUZTSGSA-N 1 0 301.478 3.419 20 10 DGCDRO CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000091919397 662324477 /nfs/dbraw/zinc/32/44/77/662324477.db2.gz FHCPYMMJZCKLPY-OAHLLOKOSA-N 1 0 306.425 3.284 20 10 DGCDRO c1ccc2c(c1)CCC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000093085115 662344023 /nfs/dbraw/zinc/34/40/23/662344023.db2.gz UTHNGWOSCKMIJY-UHFFFAOYSA-N 1 0 322.452 3.472 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000248485411 662349329 /nfs/dbraw/zinc/34/93/29/662349329.db2.gz DXVSQYMMCZUZKR-ILXRZTDVSA-N 1 0 306.450 3.172 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c1O ZINC000093476139 662355498 /nfs/dbraw/zinc/35/54/98/662355498.db2.gz GMFFFMKJPVEONF-MRXNPFEDSA-N 1 0 307.434 3.428 20 10 DGCDRO CO[C@H]([C@H](C)[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000388233757 685188026 /nfs/dbraw/zinc/18/80/26/685188026.db2.gz NMQCMXJIQZAHKB-LKFCYVNXSA-N 1 0 314.223 3.058 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000389789019 685196005 /nfs/dbraw/zinc/19/60/05/685196005.db2.gz OARNDDJVHUEVRT-VQIMIIECSA-N 1 0 310.441 3.311 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1c(F)cccc1F ZINC000393390467 685217367 /nfs/dbraw/zinc/21/73/67/685217367.db2.gz QCSDTQYERJBZFH-SECBINFHSA-N 1 0 307.296 3.250 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CS1 ZINC000397924542 685233177 /nfs/dbraw/zinc/23/31/77/685233177.db2.gz JIRFADWGGOSVKI-LDYMZIIASA-N 1 0 302.237 3.138 20 10 DGCDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC001576556142 1191845132 /nfs/dbraw/zinc/84/51/32/1191845132.db2.gz NZHUESLFRHZUJD-KFKAGJAMSA-N 1 0 301.478 3.334 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC001577457809 1191903315 /nfs/dbraw/zinc/90/33/15/1191903315.db2.gz GHVYAGPSJUSRMX-INIZCTEOSA-N 1 0 318.461 3.301 20 10 DGCDRO CC[C@H]1[NH2+]CC[C@@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC001578241985 1191933447 /nfs/dbraw/zinc/93/34/47/1191933447.db2.gz VXCCRPLEFGILKO-CABCVRRESA-N 1 0 315.383 3.002 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCCC2(C)C)cc1 ZINC001578424491 1191942523 /nfs/dbraw/zinc/94/25/23/1191942523.db2.gz JBPCAGVEXIRNSV-IAGOWNOFSA-N 1 0 317.477 3.085 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)cc1C ZINC001620790335 1191995924 /nfs/dbraw/zinc/99/59/24/1191995924.db2.gz BNQUCOCVJXWMES-ACJLOTCBSA-N 1 0 303.377 3.354 20 10 DGCDRO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2O)C[C@H]1c1ccccc1F ZINC001580395250 1192024808 /nfs/dbraw/zinc/02/48/08/1192024808.db2.gz KXDWAWZEAKKRNG-GOEBONIOSA-N 1 0 320.795 3.111 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1C ZINC001620830195 1192283732 /nfs/dbraw/zinc/28/37/32/1192283732.db2.gz CNMFNRFJLMEQQA-INIZCTEOSA-N 1 0 318.461 3.273 20 10 DGCDRO CN(C)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001620852610 1192456962 /nfs/dbraw/zinc/45/69/62/1192456962.db2.gz AFTBBNQFZGHTIO-UHFFFAOYSA-N 1 0 324.472 3.117 20 10 DGCDRO COc1cc(C)c(C[NH2+]CCSCCC(F)(F)F)c(O)c1 ZINC001621482251 1192465419 /nfs/dbraw/zinc/46/54/19/1192465419.db2.gz QABWZILMRKVIME-UHFFFAOYSA-N 1 0 323.380 3.484 20 10 DGCDRO CC1CCC2(CC1)OC[C@H](C[NH2+]Cc1ccc3c(c1)CCO3)O2 ZINC001620880590 1192531474 /nfs/dbraw/zinc/53/14/74/1192531474.db2.gz IOBQNUYSBGXREK-KGYZHSKHSA-N 1 0 317.429 3.033 20 10 DGCDRO COc1ccc(C[NH2+]CC2CC(C)(C)C2)cc1Cn1cccn1 ZINC001620904669 1192572336 /nfs/dbraw/zinc/57/23/36/1192572336.db2.gz NASHEFGAWPPSKW-UHFFFAOYSA-N 1 0 313.445 3.466 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2CC(C)C)cc1Cn1cccn1 ZINC001620965461 1192684492 /nfs/dbraw/zinc/68/44/92/1192684492.db2.gz GQSCZRMNBORYQN-SJLPKXTDSA-N 1 0 313.445 3.464 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C)nc2Cl)c1O ZINC001332020686 1178337899 /nfs/dbraw/zinc/33/78/99/1178337899.db2.gz CBHMQIBMGPVPFO-UHFFFAOYSA-N 1 0 306.793 3.356 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ncc(C)s2)c(O)c1OC ZINC001334198965 1178734295 /nfs/dbraw/zinc/73/42/95/1178734295.db2.gz UUCVSCQXMVDFFV-SNVBAGLBSA-N 1 0 308.403 3.025 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC001334325725 1178749511 /nfs/dbraw/zinc/74/95/11/1178749511.db2.gz KKYSYRXQJCFKGE-MOPGFXCFSA-N 1 0 300.446 3.478 20 10 DGCDRO FC(F)CN1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001334908000 1178826009 /nfs/dbraw/zinc/82/60/09/1178826009.db2.gz KRHGWQLNKRUCNA-QGZVFWFLSA-N 1 0 323.431 3.106 20 10 DGCDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001341568765 1179030204 /nfs/dbraw/zinc/03/02/04/1179030204.db2.gz DZWSEOIGNRARKO-QZTJIDSGSA-N 1 0 320.502 3.239 20 10 DGCDRO CCC1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001341567846 1179030886 /nfs/dbraw/zinc/03/08/86/1179030886.db2.gz OQXFBCJHURPDIG-UHFFFAOYSA-N 1 0 319.468 3.200 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CCC([NH2+]C2CCC2)CC1 ZINC001343320207 1179255132 /nfs/dbraw/zinc/25/51/32/1179255132.db2.gz QVMVESIVNWHFDL-UHFFFAOYSA-N 1 0 313.489 3.393 20 10 DGCDRO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(N)cc2)cc1OC ZINC001352788140 1180399551 /nfs/dbraw/zinc/39/95/51/1180399551.db2.gz DFAPHOBSGCWIAC-LLVKDONJSA-N 1 0 304.365 3.276 20 10 DGCDRO C[C@@](CO)([NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001200648601 1180784079 /nfs/dbraw/zinc/78/40/79/1180784079.db2.gz RZWCCSNIUNTJNR-IBGZPJMESA-N 1 0 303.446 3.433 20 10 DGCDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(C(C)C)ccc2O)C1 ZINC001474625721 1181595561 /nfs/dbraw/zinc/59/55/61/1181595561.db2.gz SAZROIVWYSEPMA-JQHSSLGASA-N 1 0 321.461 3.171 20 10 DGCDRO O=C(NCc1c(O)ccc2ccccc21)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001456307504 1182409512 /nfs/dbraw/zinc/40/95/12/1182409512.db2.gz CVTYZSBWGNFJHE-GOSISDBHSA-N 1 0 324.424 3.179 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC001459354819 1182582412 /nfs/dbraw/zinc/58/24/12/1182582412.db2.gz WXTJOFFMVFBWLA-VQIMIIECSA-N 1 0 302.462 3.268 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12)c1ccccc1O ZINC001460636474 1182702276 /nfs/dbraw/zinc/70/22/76/1182702276.db2.gz JHYMFZXPVSFJBN-NEPJUHHUSA-N 1 0 309.369 3.191 20 10 DGCDRO CC(C)C[C@@H](CNCc1cc(F)c(N(C)C)cc1F)[NH+](C)C ZINC001461032465 1182758050 /nfs/dbraw/zinc/75/80/50/1182758050.db2.gz RNDRRUFYDVOGHM-AWEZNQCLSA-N 1 0 313.436 3.097 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCCC[C@H]1C ZINC001461048760 1182760581 /nfs/dbraw/zinc/76/05/81/1182760581.db2.gz RTSOMCNFTJTJCJ-CVEARBPZSA-N 1 0 302.462 3.364 20 10 DGCDRO CC1(C)CCC[C@@](CO)([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001461639931 1182836099 /nfs/dbraw/zinc/83/60/99/1182836099.db2.gz BTDPPESGSVWNJJ-LJQANCHMSA-N 1 0 303.446 3.433 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c(C2CC2)cnn1C ZINC001461636315 1182836524 /nfs/dbraw/zinc/83/65/24/1182836524.db2.gz DRCWUCJOWGDWTD-UHFFFAOYSA-N 1 0 308.429 3.387 20 10 DGCDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461665236 1182840085 /nfs/dbraw/zinc/84/00/85/1182840085.db2.gz CAPZWXZTUIOGSF-OAHLLOKOSA-N 1 0 319.468 3.246 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc3oc(=O)[nH]c3c2)cc1 ZINC001461735531 1182848011 /nfs/dbraw/zinc/84/80/11/1182848011.db2.gz LUERGXAIGJDNCW-ONEGZZNKSA-N 1 0 323.396 3.402 20 10 DGCDRO COc1cc(C)c(CN2Cc3ccc([N+](=O)[O-])cc3C2)c(O)c1 ZINC001461911897 1182875346 /nfs/dbraw/zinc/87/53/46/1182875346.db2.gz FTOQROIQCSDDKO-UHFFFAOYSA-N 1 0 314.341 3.133 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC001462337933 1182941823 /nfs/dbraw/zinc/94/18/23/1182941823.db2.gz OCVVFYPTGSIBKU-UHFFFAOYSA-N 1 0 303.793 3.215 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CC[C@@H]4CCC[C@H]34)C2)cc1 ZINC001462419225 1182950530 /nfs/dbraw/zinc/95/05/30/1182950530.db2.gz DYIKAENHGYXMRE-QGWWYQLQSA-N 1 0 300.446 3.442 20 10 DGCDRO C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463387 1182956272 /nfs/dbraw/zinc/95/62/72/1182956272.db2.gz VBQKJLZCGOHQJM-BLLLJJGKSA-N 1 0 312.404 3.223 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c(O)c1 ZINC001462487376 1182961005 /nfs/dbraw/zinc/96/10/05/1182961005.db2.gz WLOGVSJAPNRNND-KRWDZBQOSA-N 1 0 307.434 3.394 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccccc1O ZINC001473723391 1183793359 /nfs/dbraw/zinc/79/33/59/1183793359.db2.gz FACATHCRZARGQC-GFCCVEGCSA-N 1 0 302.349 3.211 20 10 DGCDRO c1cnn(C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2)c1 ZINC001474017612 1183850957 /nfs/dbraw/zinc/85/09/57/1183850957.db2.gz WHACFSROMXFWQB-IBGZPJMESA-N 1 0 319.408 3.349 20 10 DGCDRO c1cnn(C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2)c1 ZINC001474017613 1183851889 /nfs/dbraw/zinc/85/18/89/1183851889.db2.gz WHACFSROMXFWQB-LJQANCHMSA-N 1 0 319.408 3.349 20 10 DGCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001474070003 1183861688 /nfs/dbraw/zinc/86/16/88/1183861688.db2.gz DZTYSYZKRMHOEH-AEFFLSMTSA-N 1 0 319.468 3.246 20 10 DGCDRO Cc1ncc(CC[NH2+]Cc2ccc(N3CCCC3)cc2)s1 ZINC001474079024 1183863665 /nfs/dbraw/zinc/86/36/65/1183863665.db2.gz UEAIUDYQAFSINX-UHFFFAOYSA-N 1 0 301.459 3.384 20 10 DGCDRO Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC001474100828 1183867519 /nfs/dbraw/zinc/86/75/19/1183867519.db2.gz VRVLOCLZRAQHBJ-UHFFFAOYSA-N 1 0 313.420 3.498 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](O)c1ccccc1 ZINC001474257307 1183890623 /nfs/dbraw/zinc/89/06/23/1183890623.db2.gz FRQPVPNYPGHUSW-IEBWSBKVSA-N 1 0 316.420 3.494 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CC3(CCC3)CO2)cc1 ZINC001474270673 1183893048 /nfs/dbraw/zinc/89/30/48/1183893048.db2.gz LERJRBNUBYRCKH-LKIHTYOGSA-N 1 0 300.446 3.315 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)C2=CCOCC2)cc1F ZINC001474299946 1183899652 /nfs/dbraw/zinc/89/96/52/1183899652.db2.gz PKOPZKZCHMKNAD-UHFFFAOYSA-N 1 0 306.425 3.354 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CC[C@H]2C2CC2)c2cc(F)ccc2n1C ZINC001474537578 1183937262 /nfs/dbraw/zinc/93/72/62/1183937262.db2.gz OPTMHIRFURPSCD-HNNXBMFYSA-N 1 0 316.376 3.088 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1c(C)cc(OC)cc1O)C(=O)OC(C)(C)C ZINC001474715333 1183967042 /nfs/dbraw/zinc/96/70/42/1183967042.db2.gz GEXBWMUIQYRSNR-ZDUSSCGKSA-N 1 0 323.433 3.167 20 10 DGCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001474727655 1183968989 /nfs/dbraw/zinc/96/89/89/1183968989.db2.gz JCXZVEQNVGDIPS-LBPRGKRZSA-N 1 0 321.808 3.192 20 10 DGCDRO CC[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001479280649 1184227152 /nfs/dbraw/zinc/22/71/52/1184227152.db2.gz PTHBXSZXTHUDHU-XYPHTWIQSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCC(C)(C)O2)cc1 ZINC001654113890 1195776028 /nfs/dbraw/zinc/77/60/28/1195776028.db2.gz BORYRPAMTUGOTH-KRWDZBQOSA-N 1 0 306.450 3.021 20 10 DGCDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](C)CC(C)C ZINC001654806262 1195843183 /nfs/dbraw/zinc/84/31/83/1195843183.db2.gz STVXOWDASNVKLO-HNNXBMFYSA-N 1 0 307.434 3.440 20 10 DGCDRO CC/C(C)=C(/C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001539707386 1188200045 /nfs/dbraw/zinc/20/00/45/1188200045.db2.gz RDXPSTGOAUOBCN-OUFNUQFJSA-N 1 0 317.477 3.218 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2COC[C@H]2OCC)cc1 ZINC001560473005 1189331119 /nfs/dbraw/zinc/33/11/19/1189331119.db2.gz XAIYIFXVVOGXJA-RTBURBONSA-N 1 0 320.477 3.207 20 10 DGCDRO Cc1cccc2c1C[C@H]([NH2+]Cc1c(O)cccc1Cl)CO2 ZINC001560541100 1189338429 /nfs/dbraw/zinc/33/84/29/1189338429.db2.gz KWDQZDUYJDAILR-LBPRGKRZSA-N 1 0 303.789 3.447 20 10 DGCDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CO2 ZINC001560541228 1189338545 /nfs/dbraw/zinc/33/85/45/1189338545.db2.gz PGKKPEVAUNFIPL-QGZVFWFLSA-N 1 0 309.409 3.413 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cc1F ZINC001560555153 1189339637 /nfs/dbraw/zinc/33/96/37/1189339637.db2.gz COMKVUCMHBICQG-HZMBPMFUSA-N 1 0 322.346 3.073 20 10 DGCDRO CC[N@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)C(C)C ZINC001560729092 1189369088 /nfs/dbraw/zinc/36/90/88/1189369088.db2.gz UXGPXLPXDLAHOH-UHFFFAOYSA-N 1 0 306.381 3.334 20 10 DGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2O)o1 ZINC001560811044 1189385095 /nfs/dbraw/zinc/38/50/95/1189385095.db2.gz WHIKAHNDSLGKOJ-UHFFFAOYSA-N 1 0 309.749 3.105 20 10 DGCDRO CC(=O)OC[C@@H](C)[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC001560956669 1189410605 /nfs/dbraw/zinc/41/06/05/1189410605.db2.gz FLRZIEBTEZEKNP-CQSZACIVSA-N 1 0 314.429 3.178 20 10 DGCDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c(O)c1 ZINC001561023942 1189422438 /nfs/dbraw/zinc/42/24/38/1189422438.db2.gz DYNWSNACVVTSOD-HNNXBMFYSA-N 1 0 320.433 3.142 20 10 DGCDRO CC/C(C)=C\C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567214033 1190074603 /nfs/dbraw/zinc/07/46/03/1190074603.db2.gz JFISKJWGRSUFTR-SYCZXOQXSA-N 1 0 318.461 3.344 20 10 DGCDRO CCC(=O)N1CCC(CC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001568074695 1190415178 /nfs/dbraw/zinc/41/51/78/1190415178.db2.gz BAGRUYKOXOJZAB-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO CC[C@@H](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001571384781 1191010118 /nfs/dbraw/zinc/01/01/18/1191010118.db2.gz VXCMDNSMJCFWBH-GDBMZVCRSA-N 1 0 320.477 3.376 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1F ZINC001621100314 1193802307 /nfs/dbraw/zinc/80/23/07/1193802307.db2.gz ZIZGLXIMNVOKTN-RDJZCZTQSA-N 1 0 306.425 3.187 20 10 DGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC001621112777 1193805307 /nfs/dbraw/zinc/80/53/07/1193805307.db2.gz HIZJRBNTKCMPCG-LBPRGKRZSA-N 1 0 311.809 3.129 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1n1ccnc1 ZINC001621157501 1193809592 /nfs/dbraw/zinc/80/95/92/1193809592.db2.gz MNSKINRTPOPQPJ-DOMZBBRYSA-N 1 0 305.809 3.325 20 10 DGCDRO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001621243537 1193821809 /nfs/dbraw/zinc/82/18/09/1193821809.db2.gz MDRHQMRZJSRSSR-QVKFZJNVSA-N 1 0 323.845 3.255 20 10 DGCDRO COc1c([O-])c(C[N@H+](C)[C@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001621323385 1193830491 /nfs/dbraw/zinc/83/04/91/1193830491.db2.gz CCVQKDYAMRMRBF-YPMHNXCESA-N 1 0 308.378 3.320 20 10 DGCDRO COC(=O)[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)CC(C)C ZINC001621367634 1193834270 /nfs/dbraw/zinc/83/42/70/1193834270.db2.gz KZCQIHJRSONNIV-MRXNPFEDSA-N 1 0 315.413 3.470 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1 ZINC001621500115 1193850479 /nfs/dbraw/zinc/85/04/79/1193850479.db2.gz VSMOVVRTMUQALN-HNNXBMFYSA-N 1 0 303.402 3.049 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]Cc2nc(CN(C)C)cs2)c1 ZINC001621527697 1193854070 /nfs/dbraw/zinc/85/40/70/1193854070.db2.gz YCXZIXQLNTTWTE-UHFFFAOYSA-N 1 0 319.474 3.324 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1C[C@H]1C1CC1 ZINC001621557916 1193858518 /nfs/dbraw/zinc/85/85/18/1193858518.db2.gz XIEOLCNLLNHGBF-DILOTOHQSA-N 1 0 315.505 3.380 20 10 DGCDRO C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC001633315838 1194432036 /nfs/dbraw/zinc/43/20/36/1194432036.db2.gz YAHMBQQMFHKLPD-HNNXBMFYSA-N 1 0 317.477 3.194 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCOCC3CCC3)CC2)cc1 ZINC001642353842 1194903975 /nfs/dbraw/zinc/90/39/75/1194903975.db2.gz FNQNJGYGQWJJLQ-UHFFFAOYSA-N 1 0 318.461 3.024 20 10 DGCDRO COc1ccc(O[C@H](C)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001647035902 1195242534 /nfs/dbraw/zinc/24/25/34/1195242534.db2.gz MZEWLAJGWFIUQP-CQSZACIVSA-N 1 0 313.397 3.187 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCC3(C)C)cc2F)CC1 ZINC001650640789 1195368253 /nfs/dbraw/zinc/36/82/53/1195368253.db2.gz PEDXMSNGGNDMJB-GOSISDBHSA-N 1 0 319.468 3.246 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001650650170 1195368952 /nfs/dbraw/zinc/36/89/52/1195368952.db2.gz HZISSCAULPXBGY-LJQANCHMSA-N 1 0 311.425 3.359 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)CC2CC2)cc1F ZINC001651326307 1195444339 /nfs/dbraw/zinc/44/43/39/1195444339.db2.gz ZXXWHBZBNFPPKA-MRXNPFEDSA-N 1 0 308.441 3.170 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@]23C[C@H]2COC32CCC2)cc1 ZINC001651612777 1195486057 /nfs/dbraw/zinc/48/60/57/1195486057.db2.gz ZFFATRKSPCDSHO-QFBILLFUSA-N 1 0 300.446 3.334 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@H]2C[NH+]2CCCC2)cc1Cl ZINC001651828437 1195513638 /nfs/dbraw/zinc/51/36/38/1195513638.db2.gz RKHHXFOIKQLTFQ-HNNXBMFYSA-N 1 0 308.853 3.414 20 10 DGCDRO CO[C@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC001652474666 1195604237 /nfs/dbraw/zinc/60/42/37/1195604237.db2.gz MTTNPCVRNYPVSD-ROUUACIJSA-N 1 0 302.462 3.450 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2c3sccc3OC(C)(C)[C@H]2O)c(O)c1 ZINC001652644773 1195631327 /nfs/dbraw/zinc/63/13/27/1195631327.db2.gz ISONSACNCLYXGQ-ZBFHGGJFSA-N 1 0 319.426 3.125 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c(O)c1 ZINC001652744531 1195645023 /nfs/dbraw/zinc/64/50/23/1195645023.db2.gz CEJQMEWXOFIHMV-HNNXBMFYSA-N 1 0 305.418 3.243 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC001652847143 1195659574 /nfs/dbraw/zinc/65/95/74/1195659574.db2.gz RULKYZQLQYCSAC-QGZVFWFLSA-N 1 0 314.404 3.293 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2c(O)cccc2Br)c1 ZINC001652846273 1195660249 /nfs/dbraw/zinc/66/02/49/1195660249.db2.gz BTMZMUPZXRPKQO-UHFFFAOYSA-N 1 0 322.202 3.459 20 10 DGCDRO CC(C)[C@H](C(=O)NCc1cccc(Cl)c1O)[NH+]1CCCCC1 ZINC001653563925 1195734382 /nfs/dbraw/zinc/73/43/82/1195734382.db2.gz SJINCDQZEHIFCN-OAHLLOKOSA-N 1 0 324.852 3.172 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(F)c(F)c1 ZINC001654532630 1195813677 /nfs/dbraw/zinc/81/36/77/1195813677.db2.gz YFSWHRSUDYPDIP-WDEREUQCSA-N 1 0 320.339 3.348 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)OC)C2)cc1 ZINC001654691879 1195830615 /nfs/dbraw/zinc/83/06/15/1195830615.db2.gz BQJVOZAQPQHKFB-INIZCTEOSA-N 1 0 318.461 3.308 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](CC(=O)OC)C2CCCCC2)cc1 ZINC001655013044 1195865302 /nfs/dbraw/zinc/86/53/02/1195865302.db2.gz BLSRONAQFJJYSI-UHFFFAOYSA-N 1 0 318.461 3.450 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2(N(C)C)CCCC2)ccc1OC ZINC001655209649 1195891477 /nfs/dbraw/zinc/89/14/77/1195891477.db2.gz VYYXXFGNLFRQEE-UHFFFAOYSA-N 1 0 320.477 3.196 20 10 DGCDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001655774379 1195961861 /nfs/dbraw/zinc/96/18/61/1195961861.db2.gz NPAGILDNZFOXNQ-QGZVFWFLSA-N 1 0 302.393 3.023 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3SCCS[C@@H]13)CCCO2 ZINC001656037625 1195990484 /nfs/dbraw/zinc/99/04/84/1195990484.db2.gz DDYXEYGJWMEMMQ-OIISXLGYSA-N 1 0 321.511 3.481 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3SCCS[C@@H]13)CCCO2 ZINC001656037626 1195990595 /nfs/dbraw/zinc/99/05/95/1195990595.db2.gz DDYXEYGJWMEMMQ-PVAVHDDUSA-N 1 0 321.511 3.481 20 10 DGCDRO C[C@@H]1CCCN(CC[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001656044955 1195990811 /nfs/dbraw/zinc/99/08/11/1195990811.db2.gz SSDJFOIDNKHUES-QGZVFWFLSA-N 1 0 301.478 3.108 20 10 DGCDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001656268513 1196025871 /nfs/dbraw/zinc/02/58/71/1196025871.db2.gz KKHVDLNJZUCHGY-ROUUACIJSA-N 1 0 302.462 3.439 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CO)C2CCCCC2)cc1F ZINC001656609499 1196054697 /nfs/dbraw/zinc/05/46/97/1196054697.db2.gz OYZGTYQRELBYOX-MRXNPFEDSA-N 1 0 312.404 3.062 20 10 DGCDRO CCOCc1cc(C[NH2+]CCOc2ccccc2)ccc1OC ZINC001656621219 1196055365 /nfs/dbraw/zinc/05/53/65/1196055365.db2.gz WZRGSZNIRYHWST-UHFFFAOYSA-N 1 0 315.413 3.400 20 10 DGCDRO Cc1cccc(OCC[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC001656653301 1196058673 /nfs/dbraw/zinc/05/86/73/1196058673.db2.gz XHKPOGOAIVFXPG-UHFFFAOYSA-N 1 0 302.393 3.369 20 10 DGCDRO CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001657000128 1196091277 /nfs/dbraw/zinc/09/12/77/1196091277.db2.gz MJOJXZDLKMJHHB-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCC(C)(C)O2)cc1F ZINC001657089688 1196103413 /nfs/dbraw/zinc/10/34/13/1196103413.db2.gz PPXNJYLIUIMJHD-ZDUSSCGKSA-N 1 0 312.404 3.468 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)C[S@@](C)=O)cc1 ZINC001657159086 1196112824 /nfs/dbraw/zinc/11/28/24/1196112824.db2.gz DADBRRYPRYQLRQ-YCRPNKLZSA-N 1 0 310.507 3.170 20 10 DGCDRO CO[C@@H](Cc1ccccc1)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001657168874 1196114252 /nfs/dbraw/zinc/11/42/52/1196114252.db2.gz FPVKLDPNOAYVFD-FQEVSTJZSA-N 1 0 312.457 3.442 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC001657300649 1196128561 /nfs/dbraw/zinc/12/85/61/1196128561.db2.gz LVZMAISYURGCQT-AWEZNQCLSA-N 1 0 308.853 3.414 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc1F ZINC001657676723 1196168731 /nfs/dbraw/zinc/16/87/31/1196168731.db2.gz OOKJTLIARUZHPC-IRXDYDNUSA-N 1 0 306.425 3.065 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001657953702 1196196240 /nfs/dbraw/zinc/19/62/40/1196196240.db2.gz CJOOQGLTYSTXST-IYBDPMFKSA-N 1 0 320.477 3.057 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC001658002568 1196200176 /nfs/dbraw/zinc/20/01/76/1196200176.db2.gz DQEXDOPTBAPGGC-FXAWDEMLSA-N 1 0 312.457 3.373 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC001658319063 1196240804 /nfs/dbraw/zinc/24/08/04/1196240804.db2.gz KAWAEOHGDILIMW-GOSISDBHSA-N 1 0 319.445 3.286 20 10 DGCDRO CC1(C)CCC(O)(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC001658342611 1196244105 /nfs/dbraw/zinc/24/41/05/1196244105.db2.gz LOKVIAPHNUYDEY-UHFFFAOYSA-N 1 0 303.446 3.433 20 10 DGCDRO COC1(OC)CC(C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001658781630 1196300417 /nfs/dbraw/zinc/30/04/17/1196300417.db2.gz GZBAUDSJAZQUMC-UHFFFAOYSA-N 1 0 318.461 3.166 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1 ZINC001658960202 1196324726 /nfs/dbraw/zinc/32/47/26/1196324726.db2.gz QXCPSIMVQKVHKU-QGZVFWFLSA-N 1 0 319.445 3.022 20 10 DGCDRO CCOC(=O)[C@H]1CCCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC001659002636 1196330604 /nfs/dbraw/zinc/33/06/04/1196330604.db2.gz LJKNWVFGLNYTMX-LKGOPFMKSA-N 1 0 316.445 3.183 20 10 DGCDRO CCOC(=O)[C@@H]1CCCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC001659002637 1196331126 /nfs/dbraw/zinc/33/11/26/1196331126.db2.gz LJKNWVFGLNYTMX-ZEVQVBBLSA-N 1 0 316.445 3.183 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1 ZINC001659095510 1196344376 /nfs/dbraw/zinc/34/43/76/1196344376.db2.gz JODSHYKTCVYPQM-OAHLLOKOSA-N 1 0 316.445 3.006 20 10 DGCDRO CCc1cccc(CN(CC[NH+](C)C)Cc2ccc(C)o2)c1O ZINC001659110522 1196347309 /nfs/dbraw/zinc/34/73/09/1196347309.db2.gz ZJMLAZFRNKINLJ-UHFFFAOYSA-N 1 0 316.445 3.420 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1O ZINC001659161019 1196354491 /nfs/dbraw/zinc/35/44/91/1196354491.db2.gz BAGHMDDCAGHJOQ-HXUWFJFHSA-N 1 0 324.468 3.313 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2ccc(Cl)cc2O)CCCCC1 ZINC001659221883 1196360545 /nfs/dbraw/zinc/36/05/45/1196360545.db2.gz MYOPFPRONBCQJH-UHFFFAOYSA-N 1 0 311.809 3.401 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CN1CCC(C)CC1 ZINC001659653359 1196402621 /nfs/dbraw/zinc/40/26/21/1196402621.db2.gz ZLQMAODYEMEEQW-QGZVFWFLSA-N 1 0 303.494 3.271 20 10 DGCDRO CCCN(Cc1ccsc1C(=O)OC)c1ccc(C[NH3+])cc1 ZINC001659679799 1196405573 /nfs/dbraw/zinc/40/55/73/1196405573.db2.gz LUQYQLLLOMUMIB-UHFFFAOYSA-N 1 0 318.442 3.410 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2cccc(OC)c2C)c(O)c1 ZINC001659700215 1196407289 /nfs/dbraw/zinc/40/72/89/1196407289.db2.gz BZIGYOHERIWWLM-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO Cn1nc2c(c1C[N@H+](C)Cc1ccc(N3CCCC3)cc1)CCC2 ZINC001659723348 1196408683 /nfs/dbraw/zinc/40/86/83/1196408683.db2.gz JCBIZYOVEYNFSC-UHFFFAOYSA-N 1 0 324.472 3.141 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC001659826420 1196418318 /nfs/dbraw/zinc/41/83/18/1196418318.db2.gz ADEGYIHLPBLMTA-INIZCTEOSA-N 1 0 320.433 3.178 20 10 DGCDRO COc1ccc(C[N@H+](CCO)Cc2ccc(Cl)cc2O)cc1 ZINC001659901664 1196426957 /nfs/dbraw/zinc/42/69/57/1196426957.db2.gz BVGDRULMIWCALJ-UHFFFAOYSA-N 1 0 321.804 3.049 20 10 DGCDRO CC1=CC[C@@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001660178928 1196454220 /nfs/dbraw/zinc/45/42/20/1196454220.db2.gz YWATTWPTAKFEQY-IEBWSBKVSA-N 1 0 301.478 3.444 20 10 DGCDRO CO[C@H](C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)CC(C)C ZINC001660177639 1196454532 /nfs/dbraw/zinc/45/45/32/1196454532.db2.gz GHNIOKFNBNCBQC-OALUTQOASA-N 1 0 321.509 3.006 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2COc3c(F)cc(F)cc3C2)c(O)c1 ZINC001660881599 1196538118 /nfs/dbraw/zinc/53/81/18/1196538118.db2.gz BRDUKCMXARTMOG-AWEZNQCLSA-N 1 0 305.324 3.072 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(CO)c2)cc1F ZINC001661375488 1196599145 /nfs/dbraw/zinc/59/91/45/1196599145.db2.gz WLEGOLSTBISMPU-UHFFFAOYSA-N 1 0 316.420 3.454 20 10 DGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001661507929 1196613504 /nfs/dbraw/zinc/61/35/04/1196613504.db2.gz UXIALTBEZYMTQL-HUUCEWRRSA-N 1 0 307.457 3.102 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1F ZINC001662386442 1196715464 /nfs/dbraw/zinc/71/54/64/1196715464.db2.gz QIOYRWIHJBMPRP-QGZVFWFLSA-N 1 0 307.457 3.102 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C)cc1Cn1cccn1 ZINC001663442110 1196868653 /nfs/dbraw/zinc/86/86/53/1196868653.db2.gz KAFVPSKRFHSSRP-CRAIPNDOSA-N 1 0 311.429 3.384 20 10 DGCDRO CC[NH+](CC)CCN(Cc1cc(F)c(F)cc1O)CC(C)C ZINC001663870834 1196953042 /nfs/dbraw/zinc/95/30/42/1196953042.db2.gz QSTNJXSIBUKNFO-UHFFFAOYSA-N 1 0 314.420 3.470 20 10 DGCDRO CN1CC[N@H+](Cc2ccc(F)c(F)c2[O-])Cc2ccccc21 ZINC001663903921 1196956425 /nfs/dbraw/zinc/95/64/25/1196956425.db2.gz UPGIUHNZUCDZRL-UHFFFAOYSA-N 1 0 304.340 3.122 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C)c(OC)n1 ZINC001664114227 1196972283 /nfs/dbraw/zinc/97/22/83/1196972283.db2.gz FVYCNNAOZCJRBL-UHFFFAOYSA-N 1 0 313.445 3.487 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC(=O)NCc1ccccc1 ZINC000324528116 1197693170 /nfs/dbraw/zinc/69/31/70/1197693170.db2.gz YUGMOOZVIDSECN-HOCLYGCPSA-N 1 0 324.424 3.155 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccc(C(N)=O)c1 ZINC000390293179 1197712468 /nfs/dbraw/zinc/71/24/68/1197712468.db2.gz IMFLVYZADIMMAV-WFASDCNBSA-N 1 0 310.397 3.138 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H](CO)Cc1ccccc1 ZINC000391549291 1197715537 /nfs/dbraw/zinc/71/55/37/1197715537.db2.gz RZZMOPOJTCGOSW-USXIJHARSA-N 1 0 311.425 3.442 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CC[NH+](C(C)(C)C)CC2)c1O ZINC000315323281 1199805490 /nfs/dbraw/zinc/80/54/90/1199805490.db2.gz LRZXNMWDKGBCNF-UHFFFAOYSA-N 1 0 324.852 3.164 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000315573665 1199807303 /nfs/dbraw/zinc/80/73/03/1199807303.db2.gz PVBWQJMHXDPRAG-UGUYLWEFSA-N 1 0 300.446 3.465 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC2CCC2)cc1C ZINC001753954996 1200047916 /nfs/dbraw/zinc/04/79/16/1200047916.db2.gz RQQJNCNAZDBTDK-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)C(C)C)cc1C ZINC001754007461 1200070059 /nfs/dbraw/zinc/07/00/59/1200070059.db2.gz MYBUVYWZLVIRII-CVEARBPZSA-N 1 0 320.477 3.280 20 10 DGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1O ZINC000120040493 1200129186 /nfs/dbraw/zinc/12/91/86/1200129186.db2.gz CNTLTIUTQNIOHH-UHFFFAOYSA-N 1 0 315.369 3.152 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@H](C)C2CC2)cc1C ZINC001754296760 1200179409 /nfs/dbraw/zinc/17/94/09/1200179409.db2.gz YOUWEHOGOOOVEO-ZFWWWQNUSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC2(C)C)cc1C ZINC001700322508 1202236747 /nfs/dbraw/zinc/23/67/47/1202236747.db2.gz WJCTYPVFNMOLTP-HOCLYGCPSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001714247027 1202846506 /nfs/dbraw/zinc/84/65/06/1202846506.db2.gz OIMHKJMVDZXCLP-GJZGRUSLSA-N 1 0 318.461 3.034 20 10 DGCDRO CCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001725553885 1204166927 /nfs/dbraw/zinc/16/69/27/1204166927.db2.gz DLTXIRIWYWVHBP-WBVHZDCISA-N 1 0 318.461 3.273 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)CC2CC2)C(C)C)cc1C ZINC001732551377 1204890490 /nfs/dbraw/zinc/89/04/90/1204890490.db2.gz CZUKYJVXKOHTTC-QGZVFWFLSA-N 1 0 318.461 3.034 20 10 DGCDRO C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593208438 994225880 /nfs/dbraw/zinc/22/58/80/994225880.db2.gz CDVBBBWJTUKFFP-NSHDSACASA-N 1 0 320.433 3.050 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CC2CCC2)cc1Br ZINC001233139844 1098236351 /nfs/dbraw/zinc/23/63/51/1098236351.db2.gz RAIFSOLRTFHEIH-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])[C@H]1CO ZINC001236794149 1099786651 /nfs/dbraw/zinc/78/66/51/1099786651.db2.gz QEEATGNXDMPRRV-ZANVPECISA-N 1 0 304.217 3.292 20 10 DGCDRO CCOC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)CC1 ZINC001169652924 1081619911 /nfs/dbraw/zinc/61/99/11/1081619911.db2.gz SLYIHYCFTHDCHX-ZIAGYGMSSA-N 1 0 306.406 3.054 20 10 DGCDRO C[C@@H]1C[C@@H]1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001209428129 1081745949 /nfs/dbraw/zinc/74/59/49/1081745949.db2.gz RHBVQYRIUVZJPM-CHWSQXEVSA-N 1 0 314.351 3.363 20 10 DGCDRO C[C@@H]1CCCCN1c1cccc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001169993336 1081806402 /nfs/dbraw/zinc/80/64/02/1081806402.db2.gz UJPXMXWZUDWTCO-CYBMUJFWSA-N 1 0 313.401 3.484 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)CCCC(C)C)cc1C ZINC001167241832 1081838688 /nfs/dbraw/zinc/83/86/88/1081838688.db2.gz GRAQAOVLFHTDBI-UHFFFAOYSA-N 1 0 320.477 3.426 20 10 DGCDRO Cc1ncccc1CN(C)Cc1c(O)cccc1Br ZINC001140103943 1081842481 /nfs/dbraw/zinc/84/24/81/1081842481.db2.gz VDFZPBPBGSNDPK-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO CC[C@H](CSC)[NH2+]Cc1ccc(Br)cc1O ZINC000691468516 1081857949 /nfs/dbraw/zinc/85/79/49/1081857949.db2.gz USAAEZXVKYXSCI-LLVKDONJSA-N 1 0 304.253 3.386 20 10 DGCDRO COC1(CC[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000691475617 1081863245 /nfs/dbraw/zinc/86/32/45/1081863245.db2.gz CBDPIRMFQAQDHZ-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO CN(c1ccc(OCCCc2ccccn2)cc1)C(C)(C)C[NH3+] ZINC001170059659 1081972428 /nfs/dbraw/zinc/97/24/28/1081972428.db2.gz QQXJDABXVHEIRJ-UHFFFAOYSA-N 1 0 313.445 3.267 20 10 DGCDRO Cc1nc([C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)no1 ZINC001140337776 1082143139 /nfs/dbraw/zinc/14/31/39/1082143139.db2.gz DQBOZIDKEJZKMC-LLVKDONJSA-N 1 0 307.781 3.117 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H]3CCO[C@H](CC)C3)CC2)cc1 ZINC001170241447 1082325626 /nfs/dbraw/zinc/32/56/26/1082325626.db2.gz WTMRYHSEFZUAQT-ZWKOTPCHSA-N 1 0 318.461 3.165 20 10 DGCDRO CC[C@H]1C[N@H+](CC)CCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001170272609 1082332379 /nfs/dbraw/zinc/33/23/79/1082332379.db2.gz JYISGVYZFIOXEY-HNNXBMFYSA-N 1 0 324.852 3.164 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)/C=C/C(C)(C)C)cc1C ZINC001266927652 1082347632 /nfs/dbraw/zinc/34/76/32/1082347632.db2.gz LBORRIGHDDNLEH-FEAKQIBJSA-N 1 0 318.461 3.200 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@H](C)C2)cc1C ZINC001167597128 1082583793 /nfs/dbraw/zinc/58/37/93/1082583793.db2.gz QIFAMTSPKRACIX-YOEHRIQHSA-N 1 0 318.461 3.036 20 10 DGCDRO C[N@H+](CCOC(C)(C)C)Cc1cccc(Br)c1[O-] ZINC000690116471 1082946893 /nfs/dbraw/zinc/94/68/93/1082946893.db2.gz XCHHPTWUMXCURT-UHFFFAOYSA-N 1 0 316.239 3.402 20 10 DGCDRO CCCC1(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001132573245 1082950328 /nfs/dbraw/zinc/95/03/28/1082950328.db2.gz LJELLGOSOVHLGV-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO CCCC(CCC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133026457 1083034948 /nfs/dbraw/zinc/03/49/48/1083034948.db2.gz FRQYGLCJMBDIBT-UHFFFAOYSA-N 1 0 320.477 3.426 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@H](C)C2)cc1C ZINC001133077259 1083046228 /nfs/dbraw/zinc/04/62/28/1083046228.db2.gz SGKNSQUMFFUXBA-YOEHRIQHSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@]2(C)CCC[C@@H]2C)cc1C ZINC001133444773 1083126673 /nfs/dbraw/zinc/12/66/73/1083126673.db2.gz ZKINSGPCLMXTMQ-HNAYVOBHSA-N 1 0 318.461 3.036 20 10 DGCDRO C[C@H]1CC([NH2+]Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000694769622 1083135099 /nfs/dbraw/zinc/13/50/99/1083135099.db2.gz GUKAYSYVDHGHSO-UWVGGRQHSA-N 1 0 314.223 3.200 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)C)cc1C ZINC001133764573 1083190547 /nfs/dbraw/zinc/19/05/47/1083190547.db2.gz JBYJKMMXPQVDFZ-CABCVRRESA-N 1 0 306.450 3.033 20 10 DGCDRO CCC[C@H](C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001134567435 1083306861 /nfs/dbraw/zinc/30/68/61/1083306861.db2.gz XSJRSJKGGXKCAT-KRWDZBQOSA-N 1 0 320.477 3.282 20 10 DGCDRO C[C@@H](C[NH2+]Cc1cc(Br)ccc1O)c1ccccn1 ZINC000692675433 1083425015 /nfs/dbraw/zinc/42/50/15/1083425015.db2.gz RMMBGMNEAPDQEF-NSHDSACASA-N 1 0 321.218 3.443 20 10 DGCDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001182173845 1083627801 /nfs/dbraw/zinc/62/78/01/1083627801.db2.gz MCCCTHFDWZLDHY-INIZCTEOSA-N 1 0 320.433 3.226 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC001182136666 1083630298 /nfs/dbraw/zinc/63/02/98/1083630298.db2.gz AATDJPFVYYDDGY-GOSISDBHSA-N 1 0 304.478 3.338 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001204325107 1083646855 /nfs/dbraw/zinc/64/68/55/1083646855.db2.gz QWQKIINKUCOTCU-LJQANCHMSA-N 1 0 300.446 3.289 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001182346315 1083695202 /nfs/dbraw/zinc/69/52/02/1083695202.db2.gz WGVMOCRTMIGKQU-QGZVFWFLSA-N 1 0 310.441 3.407 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3NC2=O)c1 ZINC001183270047 1083916474 /nfs/dbraw/zinc/91/64/74/1083916474.db2.gz PVDXMMOBZJJONG-QGZVFWFLSA-N 1 0 310.397 3.169 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cc1Cl ZINC001183684002 1083996368 /nfs/dbraw/zinc/99/63/68/1083996368.db2.gz FVNUGSXIXSQPQP-RHNCMZPLSA-N 1 0 317.816 3.494 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c1O ZINC001203585540 1084155795 /nfs/dbraw/zinc/15/57/95/1084155795.db2.gz OWHYYUYVLBZVGY-CYBMUJFWSA-N 1 0 307.287 3.125 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@]1(O)C(F)(F)F ZINC001203651815 1084739534 /nfs/dbraw/zinc/73/95/34/1084739534.db2.gz XMIHREVPGDCVCO-RNCFNFMXSA-N 1 0 323.742 3.181 20 10 DGCDRO Cc1cc(C)c(CNC(=O)c2ccc(C[NH+](C)C)cc2)c(O)c1 ZINC001187302070 1084787041 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CCN(CC)c1ccc(C[NH+]2CCC3(COC3)CC2)c(OC)c1 ZINC001138387714 1091163749 /nfs/dbraw/zinc/16/37/49/1091163749.db2.gz IXMZAXMNEDIWNF-UHFFFAOYSA-N 1 0 318.461 3.154 20 10 DGCDRO CCC(CC)(C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)OC ZINC001205334727 1091189899 /nfs/dbraw/zinc/18/98/99/1091189899.db2.gz MAIVZETWODIUHV-HJWRWDBZSA-N 1 0 318.461 3.335 20 10 DGCDRO CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(F)c(F)c1[O-] ZINC001205692601 1091315130 /nfs/dbraw/zinc/31/51/30/1091315130.db2.gz GTKQQEQSXYBDCH-UHFFFAOYSA-N 1 0 300.393 3.224 20 10 DGCDRO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806312 1091357455 /nfs/dbraw/zinc/35/74/55/1091357455.db2.gz TWRVAYNAJJENEU-WBVHZDCISA-N 1 0 311.473 3.465 20 10 DGCDRO CCOc1ccc(N2CC[NH+](Cc3ccncc3C)CC2)cc1 ZINC001205873036 1091388063 /nfs/dbraw/zinc/38/80/63/1091388063.db2.gz LWHQTVZTIXTXBO-UHFFFAOYSA-N 1 0 311.429 3.111 20 10 DGCDRO Cc1cc(O)c(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c(Cl)c1 ZINC001206039893 1091465067 /nfs/dbraw/zinc/46/50/67/1091465067.db2.gz LSDSDXUBULDXGQ-CYBMUJFWSA-N 1 0 308.853 3.270 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3nsnc3c2)cc1 ZINC001139215507 1091492132 /nfs/dbraw/zinc/49/21/32/1091492132.db2.gz PBCUXLBZSKUIAW-UHFFFAOYSA-N 1 0 312.442 3.389 20 10 DGCDRO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001206237599 1091544943 /nfs/dbraw/zinc/54/49/43/1091544943.db2.gz KCZZRPQGXVODNY-HNNXBMFYSA-N 1 0 310.319 3.011 20 10 DGCDRO Cc1cc(CN2CCCc3cc(O)c(O)cc3C2)cnc1Cl ZINC001139547652 1091596651 /nfs/dbraw/zinc/59/66/51/1091596651.db2.gz MHPVGCAHMGRQMA-UHFFFAOYSA-N 1 0 318.804 3.403 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206371001 1091603899 /nfs/dbraw/zinc/60/38/99/1091603899.db2.gz QXRURGDYRBJSMB-SFHVURJKSA-N 1 0 308.441 3.343 20 10 DGCDRO Nc1ccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)cc1 ZINC001120263802 1091695075 /nfs/dbraw/zinc/69/50/75/1091695075.db2.gz VZPDUJSECJCKGK-UHFFFAOYSA-N 1 0 304.821 3.307 20 10 DGCDRO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cc(Cl)c(Cl)cc1O ZINC001206811503 1091750512 /nfs/dbraw/zinc/75/05/12/1091750512.db2.gz VQZOMMZBCGPADD-NXEZZACHSA-N 1 0 303.233 3.258 20 10 DGCDRO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140055333 1091751252 /nfs/dbraw/zinc/75/12/52/1091751252.db2.gz RNFVTLAGURCUGW-HNNXBMFYSA-N 1 0 314.404 3.410 20 10 DGCDRO CN1CC[N@H+](Cc2cc(F)ccc2O)C[C@H]1c1ccccc1 ZINC001140055834 1091752059 /nfs/dbraw/zinc/75/20/59/1091752059.db2.gz XFTZCCTZGDPLOQ-KRWDZBQOSA-N 1 0 300.377 3.020 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(Cc3cc(F)ccc3O)CC2)cc1 ZINC001140055482 1091752939 /nfs/dbraw/zinc/75/29/39/1091752939.db2.gz GPQMWHSYDVFXHB-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO CCOC(=O)C1(CC)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060467 1091754826 /nfs/dbraw/zinc/75/48/26/1091754826.db2.gz XHDOWFVSKRPLFJ-UHFFFAOYSA-N 1 0 309.381 3.087 20 10 DGCDRO C[C@]1(CF)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC001140099196 1091766521 /nfs/dbraw/zinc/76/65/21/1091766521.db2.gz ZQBFYMFRIOLXLX-CYBMUJFWSA-N 1 0 302.187 3.336 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCCC[C@H]2CN2CCCC2)c1O ZINC001140179137 1091791836 /nfs/dbraw/zinc/79/18/36/1091791836.db2.gz HNJLVQUKLDVZOR-KRWDZBQOSA-N 1 0 302.462 3.459 20 10 DGCDRO Cc1ccnc(N2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)c1 ZINC001140181437 1091793459 /nfs/dbraw/zinc/79/34/59/1091793459.db2.gz BIGUPKAIPGANTC-UHFFFAOYSA-N 1 0 311.429 3.035 20 10 DGCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184980 1091794954 /nfs/dbraw/zinc/79/49/54/1091794954.db2.gz MWBOTGBUDWMPSW-OAHLLOKOSA-N 1 0 305.418 3.174 20 10 DGCDRO CCC(=O)N(CC)C1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140185395 1091795080 /nfs/dbraw/zinc/79/50/80/1091795080.db2.gz UNZWKQKUFYEFON-UHFFFAOYSA-N 1 0 318.461 3.232 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCCN(c3cccnc3)CC2)c1O ZINC001140185149 1091795349 /nfs/dbraw/zinc/79/53/49/1091795349.db2.gz QAXIUSFTYVVJGY-UHFFFAOYSA-N 1 0 311.429 3.116 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001140282502 1091814721 /nfs/dbraw/zinc/81/47/21/1091814721.db2.gz BICJIPPNTDDQFJ-ZWKOTPCHSA-N 1 0 314.473 3.270 20 10 DGCDRO C[C@]1(F)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140283395 1091816805 /nfs/dbraw/zinc/81/68/05/1091816805.db2.gz RYAYZKPWHXMHRW-IBGZPJMESA-N 1 0 320.452 3.362 20 10 DGCDRO CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC001140306220 1091819917 /nfs/dbraw/zinc/81/99/17/1091819917.db2.gz PVALHLFPQBRZIO-HDICACEKSA-N 1 0 315.505 3.306 20 10 DGCDRO Cc1c[nH+]ccc1N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140342654 1091835062 /nfs/dbraw/zinc/83/50/62/1091835062.db2.gz SNGGOSCOZWVPHR-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC001140461424 1091874652 /nfs/dbraw/zinc/87/46/52/1091874652.db2.gz MAIUFMACCGVUAB-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO OCc1ccc2c(c1)CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140463160 1091876545 /nfs/dbraw/zinc/87/65/45/1091876545.db2.gz VMNKMAYDIFUSDH-UHFFFAOYSA-N 1 0 303.789 3.096 20 10 DGCDRO Oc1cccc(N2CC[NH+](Cc3ccc(Cl)cc3O)CC2)c1 ZINC001140465845 1091878348 /nfs/dbraw/zinc/87/83/48/1091878348.db2.gz RVWHXOCTTUTYBT-UHFFFAOYSA-N 1 0 318.804 3.073 20 10 DGCDRO Cc1cccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001140468361 1091878630 /nfs/dbraw/zinc/87/86/30/1091878630.db2.gz IHOLNWPKGKRNHH-HNNXBMFYSA-N 1 0 318.804 3.402 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140619834 1091934320 /nfs/dbraw/zinc/93/43/20/1091934320.db2.gz RDNBBIMZTMRHAB-SFHVURJKSA-N 1 0 305.418 3.256 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001140623212 1091934994 /nfs/dbraw/zinc/93/49/94/1091934994.db2.gz LIABIDSJQFMSLQ-UHFFFAOYSA-N 1 0 320.433 3.047 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1 ZINC001140620893 1091935525 /nfs/dbraw/zinc/93/55/25/1091935525.db2.gz FMWZVEJMQWKKCU-QGZVFWFLSA-N 1 0 301.361 3.493 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC001140624133 1091937083 /nfs/dbraw/zinc/93/70/83/1091937083.db2.gz HLVXHPNVTXJOFR-HUUCEWRRSA-N 1 0 305.418 3.112 20 10 DGCDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661735 1091950972 /nfs/dbraw/zinc/95/09/72/1091950972.db2.gz PTHSBHDUIZGMDL-OAHLLOKOSA-N 1 0 306.425 3.427 20 10 DGCDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC001207415110 1091959168 /nfs/dbraw/zinc/95/91/68/1091959168.db2.gz JTJNRJNMHLFBMH-INIZCTEOSA-N 1 0 318.461 3.226 20 10 DGCDRO COc1ccccc1CC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001207459850 1091974632 /nfs/dbraw/zinc/97/46/32/1091974632.db2.gz CHGGXHHZJSJRBC-UHFFFAOYSA-N 1 0 313.397 3.097 20 10 DGCDRO Cc1c(O)ccc(CN2CC[NH+](C3CCC(C)CC3)CC2)c1O ZINC001140745387 1091983660 /nfs/dbraw/zinc/98/36/60/1091983660.db2.gz HYBBASRXVYHLRH-UHFFFAOYSA-N 1 0 318.461 3.103 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001140922193 1092063338 /nfs/dbraw/zinc/06/33/38/1092063338.db2.gz JTUQUKNTFWMOHR-SUMWQHHRSA-N 1 0 308.853 3.407 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001140948237 1092075000 /nfs/dbraw/zinc/07/50/00/1092075000.db2.gz ZBTKJOHCUJINLA-WFASDCNBSA-N 1 0 317.351 3.226 20 10 DGCDRO Cc1ccc(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140950889 1092076444 /nfs/dbraw/zinc/07/64/44/1092076444.db2.gz NMLGNPBALJUWAU-UHFFFAOYSA-N 1 0 320.433 3.047 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)c(O)c1 ZINC001140953728 1092079783 /nfs/dbraw/zinc/07/97/83/1092079783.db2.gz FLLSJUWXSUCRKR-UHFFFAOYSA-N 1 0 318.461 3.217 20 10 DGCDRO OC[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1cc(F)ccc1F ZINC001207793849 1092102400 /nfs/dbraw/zinc/10/24/00/1092102400.db2.gz WHYFVHNWWTZEOM-AWEZNQCLSA-N 1 0 313.731 3.147 20 10 DGCDRO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078204 1092131382 /nfs/dbraw/zinc/13/13/82/1092131382.db2.gz OZHLLQHUFBQXHL-IBGZPJMESA-N 1 0 312.457 3.329 20 10 DGCDRO O=C1CCC[C@@H]2C[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@H]12 ZINC001141079129 1092131700 /nfs/dbraw/zinc/13/17/00/1092131700.db2.gz UMACMGGXNQQFNI-MOPGFXCFSA-N 1 0 324.468 3.186 20 10 DGCDRO Oc1ccc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c1 ZINC001141160563 1092156247 /nfs/dbraw/zinc/15/62/47/1092156247.db2.gz ZDQRHNLZGCGKLZ-DKSSEZFCSA-N 1 0 317.429 3.125 20 10 DGCDRO COc1cccc([C@H]2CCC[N@H+](Cc3cc(O)ccc3O)C2)c1 ZINC001141162656 1092157558 /nfs/dbraw/zinc/15/75/58/1092157558.db2.gz YRMXRTGHWRWHER-HNNXBMFYSA-N 1 0 313.397 3.486 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc1 ZINC001168817193 1092365039 /nfs/dbraw/zinc/36/50/39/1092365039.db2.gz WDSVDHIQAZOLNE-MRXNPFEDSA-N 1 0 306.413 3.096 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1O ZINC001168831294 1092385710 /nfs/dbraw/zinc/38/57/10/1092385710.db2.gz UXGFYPNISQYHAB-HIFRSBDPSA-N 1 0 320.433 3.188 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169044612 1092502085 /nfs/dbraw/zinc/50/20/85/1092502085.db2.gz IMKASRXSQINHDB-DOTOQJQBSA-N 1 0 305.422 3.020 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@H](C)C(F)(F)F)CC2)c(C)c1 ZINC001208899484 1092573774 /nfs/dbraw/zinc/57/37/74/1092573774.db2.gz GJLVYAKWIUQNGX-ZDUSSCGKSA-N 1 0 316.367 3.324 20 10 DGCDRO CC(C)(C)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1O ZINC001143104831 1092614931 /nfs/dbraw/zinc/61/49/31/1092614931.db2.gz DXXXQUJTNSQFJC-UHFFFAOYSA-N 1 0 305.418 3.029 20 10 DGCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143117172 1092618527 /nfs/dbraw/zinc/61/85/27/1092618527.db2.gz WGHRSXQKIVFPIV-OAHLLOKOSA-N 1 0 318.461 3.180 20 10 DGCDRO CCC(CC)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169371617 1092658496 /nfs/dbraw/zinc/65/84/96/1092658496.db2.gz VPMNSLKHTUGDMV-UHFFFAOYSA-N 1 0 320.477 3.426 20 10 DGCDRO CCOC(=O)c1c(C)[nH]c(C[N@H+](C)Cc2ccccc2O)c1C ZINC001209610992 1092848797 /nfs/dbraw/zinc/84/87/97/1092848797.db2.gz NAWPBBLDSZGEKZ-UHFFFAOYSA-N 1 0 316.401 3.146 20 10 DGCDRO c1ccc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CCCC3)cc2)cc1 ZINC001210197155 1093075254 /nfs/dbraw/zinc/07/52/54/1093075254.db2.gz XYUFXRKDWSMBDU-NRFANRHFSA-N 1 0 321.468 3.433 20 10 DGCDRO c1ccc([C@H]2C[NH2+]CCN2Cc2ccc(N3CCCC3)cc2)cc1 ZINC001210197156 1093075270 /nfs/dbraw/zinc/07/52/70/1093075270.db2.gz XYUFXRKDWSMBDU-OAQYLSRUSA-N 1 0 321.468 3.433 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c1O ZINC000404584948 1094261406 /nfs/dbraw/zinc/26/14/06/1094261406.db2.gz SWKITOXGDODPJC-CQSZACIVSA-N 1 0 313.825 3.444 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCC(F)(F)CC2)c1O ZINC000404757732 1094267493 /nfs/dbraw/zinc/26/74/93/1094267493.db2.gz CIYNBIMCLPBCHR-UHFFFAOYSA-N 1 0 303.736 3.479 20 10 DGCDRO C[N@H+](Cc1ccc(N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001120262784 1094397333 /nfs/dbraw/zinc/39/73/33/1094397333.db2.gz DAQZSUORJCSQQU-UHFFFAOYSA-N 1 0 323.440 3.005 20 10 DGCDRO C[C@@H]1[NH2+]CCC[C@@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217707408 1094478402 /nfs/dbraw/zinc/47/84/02/1094478402.db2.gz UFXBENRBMMSKBL-BBRMVZONSA-N 1 0 308.385 3.383 20 10 DGCDRO CC[C@H](C)[C@@H]([NH3+])Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217720770 1094484734 /nfs/dbraw/zinc/48/47/34/1094484734.db2.gz NREGOKFEXFWIJD-BBRMVZONSA-N 1 0 310.401 3.443 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(N)cc3)cn2)CC1 ZINC001336284519 1094614286 /nfs/dbraw/zinc/61/42/86/1094614286.db2.gz ATXDTBBBAKFOEQ-UHFFFAOYSA-N 1 0 310.445 3.190 20 10 DGCDRO Nc1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC001218391356 1094746428 /nfs/dbraw/zinc/74/64/28/1094746428.db2.gz USKAYNKGGGHFEA-QGZVFWFLSA-N 1 0 300.377 3.451 20 10 DGCDRO Fc1ccc2c(c1)CC[C@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218415893 1094763006 /nfs/dbraw/zinc/76/30/06/1094763006.db2.gz DYOZTTYQGPATHU-LJQANCHMSA-N 1 0 312.388 3.302 20 10 DGCDRO CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001337042816 1094828606 /nfs/dbraw/zinc/82/86/06/1094828606.db2.gz SMUULXJABLAQNB-HNNXBMFYSA-N 1 0 304.434 3.059 20 10 DGCDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001218956038 1094914313 /nfs/dbraw/zinc/91/43/13/1094914313.db2.gz SIJDCGIGLBCGOR-KXBFYZLASA-N 1 0 323.440 3.190 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C)[C@@H]1CCCOC1 ZINC001337602656 1095032367 /nfs/dbraw/zinc/03/23/67/1095032367.db2.gz STNQQIPYCLSLPK-JJXSEGSLSA-N 1 0 319.445 3.280 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000315473538 1095107541 /nfs/dbraw/zinc/10/75/41/1095107541.db2.gz KCSDXZZGEVZTCQ-BBRMVZONSA-N 1 0 300.446 3.465 20 10 DGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000315692373 1095128514 /nfs/dbraw/zinc/12/85/14/1095128514.db2.gz WZMCUYNALXMHEC-GPMSIDNRSA-N 1 0 302.462 3.438 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCC(C)(C)CC2)c1 ZINC000316391239 1095171613 /nfs/dbraw/zinc/17/16/13/1095171613.db2.gz WIHJVDCJGODVBB-ZDUSSCGKSA-N 1 0 307.434 3.383 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320762 1095550930 /nfs/dbraw/zinc/55/09/30/1095550930.db2.gz MSJNKVOGHHEIHG-INIZCTEOSA-N 1 0 312.816 3.293 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001116443589 1095553728 /nfs/dbraw/zinc/55/37/28/1095553728.db2.gz BPCWNSHOLWYHJX-PKOBYXMFSA-N 1 0 300.446 3.288 20 10 DGCDRO Cc1cc(CN2CC3(C2)CCC[NH2+]C3)c(C)n1-c1ccccc1 ZINC001222335590 1095559029 /nfs/dbraw/zinc/55/90/29/1095559029.db2.gz WLYTZIIICNSXFS-UHFFFAOYSA-N 1 0 309.457 3.280 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346833 1095566324 /nfs/dbraw/zinc/56/63/24/1095566324.db2.gz UGPPHSKBHMHMDK-HXUWFJFHSA-N 1 0 313.489 3.395 20 10 DGCDRO CC(=O)N1CCC(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001116565001 1095602453 /nfs/dbraw/zinc/60/24/53/1095602453.db2.gz DCHGTPIAVSUVIQ-CZUORRHYSA-N 1 0 316.445 3.097 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC001116584291 1095608493 /nfs/dbraw/zinc/60/84/93/1095608493.db2.gz CZLVPKIUZYCLGH-QMORNJKRSA-N 1 0 309.409 3.497 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222470861 1095630758 /nfs/dbraw/zinc/63/07/58/1095630758.db2.gz JQIWBPKUYPICNB-HXUWFJFHSA-N 1 0 309.457 3.422 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c(O)c1 ZINC001144514487 1095699957 /nfs/dbraw/zinc/69/99/57/1095699957.db2.gz HPHAPFHDWWGPRY-OAHLLOKOSA-N 1 0 317.410 3.094 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c(O)c1 ZINC001144514479 1095700303 /nfs/dbraw/zinc/70/03/03/1095700303.db2.gz HJIXEMBFOASMKL-LBPRGKRZSA-N 1 0 319.788 3.446 20 10 DGCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1-c1ccccc1 ZINC001137858996 1095769304 /nfs/dbraw/zinc/76/93/04/1095769304.db2.gz DSNKYKKVOCBLPA-BGYRXZFFSA-N 1 0 309.457 3.373 20 10 DGCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001117582783 1095783332 /nfs/dbraw/zinc/78/33/32/1095783332.db2.gz BALNORPQUOZHNN-XLIONFOSSA-N 1 0 313.489 3.345 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1O ZINC001117581581 1095784345 /nfs/dbraw/zinc/78/43/45/1095784345.db2.gz INGOFUJSSOLIJV-UHFFFAOYSA-N 1 0 312.413 3.291 20 10 DGCDRO C[C@H]([NH2+]CCCC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC001119606711 1096231592 /nfs/dbraw/zinc/23/15/92/1096231592.db2.gz RENUXTWQJLFFFI-LBPRGKRZSA-N 1 0 316.367 3.358 20 10 DGCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)cc1F ZINC001277009019 1096322659 /nfs/dbraw/zinc/32/26/59/1096322659.db2.gz DWZRWLFWWIMTFQ-IYBDPMFKSA-N 1 0 304.409 3.430 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000129151035 1096459325 /nfs/dbraw/zinc/45/93/25/1096459325.db2.gz BJYYYHBNPXDUSD-CXAGYDPISA-N 1 0 319.445 3.396 20 10 DGCDRO Cc1cc(N(C)C)nc(NCc2cc3ccccc3cc2O)[nH+]1 ZINC001171402765 1096671066 /nfs/dbraw/zinc/67/10/66/1096671066.db2.gz RJLXNIXJFSWNFJ-UHFFFAOYSA-N 1 0 308.385 3.322 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)c(O)c1 ZINC001171513080 1096915272 /nfs/dbraw/zinc/91/52/72/1096915272.db2.gz TUTKQYDRWJZHTA-NSHDSACASA-N 1 0 323.314 3.162 20 10 DGCDRO Oc1cccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)c1O ZINC001171517576 1096916185 /nfs/dbraw/zinc/91/61/85/1096916185.db2.gz OWYCNGIDYKJIOK-LLVKDONJSA-N 1 0 323.314 3.162 20 10 DGCDRO Cc1ccc(CC[C@H](C)[NH2+]C[C@H](O)c2ccc(O)c(O)c2)cc1 ZINC001171656159 1096941143 /nfs/dbraw/zinc/94/11/43/1096941143.db2.gz VKHWAVDWZHYPNU-LIRRHRJNSA-N 1 0 315.413 3.051 20 10 DGCDRO Cc1ccc(CC[C@H](C)[NH2+]CC(=O)c2ccc(O)c(O)c2)cc1 ZINC001171662475 1096942041 /nfs/dbraw/zinc/94/20/41/1096942041.db2.gz ALNZJSWVXOCSHP-AWEZNQCLSA-N 1 0 313.397 3.200 20 10 DGCDRO CC(C)OCC[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC001172440407 1097155415 /nfs/dbraw/zinc/15/54/15/1097155415.db2.gz FDJREGAEIXISOP-NSHDSACASA-N 1 0 316.239 3.448 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172808209 1097244886 /nfs/dbraw/zinc/24/48/86/1097244886.db2.gz SBVIEIHFSKLTRY-GDBMZVCRSA-N 1 0 305.418 3.336 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H]3CCC[C@H](OC)C3)CC2)c(C)c1 ZINC001172945954 1097289888 /nfs/dbraw/zinc/28/98/88/1097289888.db2.gz DEPRPOPVVGFRJY-IRXDYDNUSA-N 1 0 318.461 3.083 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC001172954169 1097301999 /nfs/dbraw/zinc/30/19/99/1097301999.db2.gz SJHQFBKXOHJFFM-PKOBYXMFSA-N 1 0 318.461 3.165 20 10 DGCDRO CCSC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001173316839 1097427701 /nfs/dbraw/zinc/42/77/01/1097427701.db2.gz ZETRTXUNDMBDIF-HNNXBMFYSA-N 1 0 308.491 3.267 20 10 DGCDRO Nc1ccc(OC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC001173884247 1097545889 /nfs/dbraw/zinc/54/58/89/1097545889.db2.gz FAQDHCLMAFIWIY-UHFFFAOYSA-N 1 0 305.337 3.049 20 10 DGCDRO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1COC1 ZINC001231470377 1097756156 /nfs/dbraw/zinc/75/61/56/1097756156.db2.gz WLCGMKMEYVPVJW-UHFFFAOYSA-N 1 0 313.397 3.049 20 10 DGCDRO COC(C[N@H+](Cc1ccccc1)Cc1cccc(C)c1O)OC ZINC001231590633 1097785040 /nfs/dbraw/zinc/78/50/40/1097785040.db2.gz CMWYRPHOTAADBH-UHFFFAOYSA-N 1 0 315.413 3.322 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590293 1097785572 /nfs/dbraw/zinc/78/55/72/1097785572.db2.gz RAXVRZZEWXRQHB-KRWDZBQOSA-N 1 0 313.397 3.463 20 10 DGCDRO CC[N@H+](CCCC(=O)OC)Cc1c(O)ccc2ccccc21 ZINC001231587445 1097786186 /nfs/dbraw/zinc/78/61/86/1097786186.db2.gz CEEIKQHDCJOIPL-UHFFFAOYSA-N 1 0 301.386 3.321 20 10 DGCDRO O=c1[nH]ccc2c1CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001231590471 1097786307 /nfs/dbraw/zinc/78/63/07/1097786307.db2.gz CPDQPHUYSBZFRC-UHFFFAOYSA-N 1 0 306.365 3.204 20 10 DGCDRO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1O ZINC001231593413 1097787099 /nfs/dbraw/zinc/78/70/99/1097787099.db2.gz WOIJLBQHOGAOCE-OALUTQOASA-N 1 0 308.425 3.159 20 10 DGCDRO Cc1cccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1O ZINC001231595392 1097788721 /nfs/dbraw/zinc/78/87/21/1097788721.db2.gz SCEVRBXXDNTGMM-HDICACEKSA-N 1 0 308.425 3.269 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CC3(CCN3Cc3ccccc3)C2)c(O)c1 ZINC001231846397 1097862034 /nfs/dbraw/zinc/86/20/34/1097862034.db2.gz LBSKSILWSJVIHX-UHFFFAOYSA-N 1 0 322.452 3.469 20 10 DGCDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231844112 1097862499 /nfs/dbraw/zinc/86/24/99/1097862499.db2.gz DZPZKOJPJZSEHQ-RBUKOAKNSA-N 1 0 319.445 3.027 20 10 DGCDRO CCOC(=O)N1CCC([N@H+](C)Cc2c(C)cc(C)cc2O)CC1 ZINC001231846796 1097862822 /nfs/dbraw/zinc/86/28/22/1097862822.db2.gz PKHOZOWKRKJWAU-UHFFFAOYSA-N 1 0 320.433 3.062 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)no1 ZINC001231849908 1097863776 /nfs/dbraw/zinc/86/37/76/1097863776.db2.gz VHFSLSDKNXFLJQ-UHFFFAOYSA-N 1 0 315.417 3.334 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870209 1097869788 /nfs/dbraw/zinc/86/97/88/1097869788.db2.gz NWLYJFOTTASBLX-GFCCVEGCSA-N 1 0 311.809 3.129 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001231869974 1097869997 /nfs/dbraw/zinc/86/99/97/1097869997.db2.gz CTJMDICLYNUOBL-AWEZNQCLSA-N 1 0 317.763 3.354 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(n3cccn3)CC2)cc1Cl ZINC001231870300 1097870849 /nfs/dbraw/zinc/87/08/49/1097870849.db2.gz SMDQYSXFMQTDPI-UHFFFAOYSA-N 1 0 305.809 3.388 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)[C@@H]1C ZINC001231870163 1097870859 /nfs/dbraw/zinc/87/08/59/1097870859.db2.gz MBFOOMYMVWPGJU-DGCLKSJQSA-N 1 0 311.809 3.128 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231871606 1097871452 /nfs/dbraw/zinc/87/14/52/1097871452.db2.gz OCRHXHUTVNOJGJ-GFCCVEGCSA-N 1 0 311.809 3.129 20 10 DGCDRO Oc1c(C[N@@H+]2CCCC[C@@](O)(CF)C2)ccc2ccccc21 ZINC001231879596 1097877022 /nfs/dbraw/zinc/87/70/22/1097877022.db2.gz JPXAVWQSJQJHNW-GOSISDBHSA-N 1 0 303.377 3.232 20 10 DGCDRO Oc1c(C[NH+]2CCC(N3CC(F)C3)CC2)ccc2ccccc21 ZINC001231880998 1097877130 /nfs/dbraw/zinc/87/71/30/1097877130.db2.gz PQHQVEPRSONTNY-UHFFFAOYSA-N 1 0 314.404 3.164 20 10 DGCDRO OC[C@]1(F)CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001231879541 1097877187 /nfs/dbraw/zinc/87/71/87/1097877187.db2.gz HMTCXHWHKIHBHS-SFHVURJKSA-N 1 0 303.377 3.232 20 10 DGCDRO Cc1noc([C@H]2CC[N@H+](Cc3ccc4ccccc4c3O)C2)n1 ZINC001231880302 1097877248 /nfs/dbraw/zinc/87/72/48/1097877248.db2.gz BJJIHYVNSQJWBU-HNNXBMFYSA-N 1 0 309.369 3.226 20 10 DGCDRO Oc1cc(O)c(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1Cl ZINC001232258187 1097983079 /nfs/dbraw/zinc/98/30/79/1097983079.db2.gz SDYVVXSDTGDTHN-SCZZXKLOSA-N 1 0 303.736 3.228 20 10 DGCDRO C[N@H+](Cc1cnc2ccccn12)Cc1cc(Cl)c(O)cc1O ZINC001232258625 1097983105 /nfs/dbraw/zinc/98/31/05/1097983105.db2.gz BFDYEDPVVZLNAM-UHFFFAOYSA-N 1 0 317.776 3.031 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)cc1Cl ZINC001232266174 1097987135 /nfs/dbraw/zinc/98/71/35/1097987135.db2.gz JRYJNIADEXJHGE-MEDUHNTESA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1Cl ZINC001232267014 1097987214 /nfs/dbraw/zinc/98/72/14/1097987214.db2.gz UZDJFMFBGLUCGX-ABAIWWIYSA-N 1 0 311.809 3.055 20 10 DGCDRO CCOc1ccc(OC)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001232385942 1098019913 /nfs/dbraw/zinc/01/99/13/1098019913.db2.gz YMVLQABRMIJVOH-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2C[C@H](C)CC23CC3)c2ccccc2n1C ZINC001232403752 1098030345 /nfs/dbraw/zinc/03/03/45/1098030345.db2.gz COJBKAWQIDWMCA-CYBMUJFWSA-N 1 0 312.413 3.339 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1cc(F)ccc1F ZINC001175418464 1098039182 /nfs/dbraw/zinc/03/91/82/1098039182.db2.gz LCMVRVLTQCLJGL-GHMZBOCLSA-N 1 0 320.339 3.348 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1cccc(F)c1 ZINC001175418454 1098039849 /nfs/dbraw/zinc/03/98/49/1098039849.db2.gz KRNFBGZRBLYUHT-RYUDHWBXSA-N 1 0 302.349 3.209 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(c3cccnc3)CC2)c(O)c1 ZINC001232841255 1098150205 /nfs/dbraw/zinc/15/02/05/1098150205.db2.gz ZSRTWBMQOHQOHQ-UHFFFAOYSA-N 1 0 311.429 3.233 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)c(O)c1 ZINC001232841705 1098150714 /nfs/dbraw/zinc/15/07/14/1098150714.db2.gz OZDNIOGYZBBOTL-SFHVURJKSA-N 1 0 318.461 3.239 20 10 DGCDRO CC[N@H+](Cc1ccc(I)cc1O)C(C)C ZINC001232974314 1098189927 /nfs/dbraw/zinc/18/99/27/1098189927.db2.gz KQFVEISUEOIPEY-UHFFFAOYSA-N 1 0 319.186 3.227 20 10 DGCDRO CC(C)C[N@H+](Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233009873 1098202541 /nfs/dbraw/zinc/20/25/41/1098202541.db2.gz FDWRVTWOKTZAOU-UHFFFAOYSA-N 1 0 301.386 3.462 20 10 DGCDRO Oc1cc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc(O)c1O ZINC001233016011 1098204074 /nfs/dbraw/zinc/20/40/74/1098204074.db2.gz DNLARCKHIDIMDN-ZDUSSCGKSA-N 1 0 319.788 3.446 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(F)CC2)cc1Br ZINC001233135185 1098235285 /nfs/dbraw/zinc/23/52/85/1098235285.db2.gz NUKGKVQAGWPYPC-UHFFFAOYSA-N 1 0 318.186 3.097 20 10 DGCDRO CCCC[N@H+](C)Cc1cc(Br)c(OC)cc1O ZINC001233135113 1098235702 /nfs/dbraw/zinc/23/57/02/1098235702.db2.gz LQTCOIDHCCJNMM-UHFFFAOYSA-N 1 0 302.212 3.395 20 10 DGCDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233287235 1098276472 /nfs/dbraw/zinc/27/64/72/1098276472.db2.gz CUKMMMUPPWXCQL-PVUWLOKVSA-N 1 0 317.429 3.216 20 10 DGCDRO Oc1ccc(F)c(F)c1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001233334646 1098291474 /nfs/dbraw/zinc/29/14/74/1098291474.db2.gz OMRDJROOKLIHQS-ZDUSSCGKSA-N 1 0 310.388 3.121 20 10 DGCDRO Oc1c(CN2CCc3cccnc3C2)cccc1C(F)(F)F ZINC001233418915 1098324477 /nfs/dbraw/zinc/32/44/77/1098324477.db2.gz BMJHVNWNSITRKG-UHFFFAOYSA-N 1 0 308.303 3.364 20 10 DGCDRO C[C@]1(O)CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451927 1098337251 /nfs/dbraw/zinc/33/72/51/1098337251.db2.gz DUZQHIPWQQXGHA-AWEZNQCLSA-N 1 0 303.324 3.148 20 10 DGCDRO COCC1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233451375 1098338776 /nfs/dbraw/zinc/33/87/76/1098338776.db2.gz IJLBEWREKRIDKX-UHFFFAOYSA-N 1 0 303.324 3.269 20 10 DGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454672 1098339576 /nfs/dbraw/zinc/33/95/76/1098339576.db2.gz FCSODAYKGGZAED-CQSZACIVSA-N 1 0 316.367 3.327 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001233454740 1098340195 /nfs/dbraw/zinc/34/01/95/1098340195.db2.gz ISBOTWWZUIEQJH-BXUZGUMPSA-N 1 0 301.308 3.022 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001233454556 1098340707 /nfs/dbraw/zinc/34/07/07/1098340707.db2.gz ZACSPSSYPWUFIV-CQSZACIVSA-N 1 0 314.351 3.081 20 10 DGCDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C[C@@H]1CCCCO1 ZINC001233454061 1098340986 /nfs/dbraw/zinc/34/09/86/1098340986.db2.gz FKKHMWMQQHHDNY-ZDUSSCGKSA-N 1 0 303.324 3.412 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)[C@H](C)C1 ZINC001233456379 1098343589 /nfs/dbraw/zinc/34/35/89/1098343589.db2.gz URMPNWJSRXQRKI-MFKMUULPSA-N 1 0 303.324 3.410 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1O ZINC001233484899 1098345823 /nfs/dbraw/zinc/34/58/23/1098345823.db2.gz BNXDDLFGJDARNZ-AWEZNQCLSA-N 1 0 303.333 3.280 20 10 DGCDRO C[N@H+](CCc1ccccc1Cl)Cc1cc(O)c(O)cc1O ZINC001233485938 1098347206 /nfs/dbraw/zinc/34/72/06/1098347206.db2.gz QTMOONPOVBZTPW-UHFFFAOYSA-N 1 0 307.777 3.131 20 10 DGCDRO CCCC(=O)c1cc(O)c(O)cc1OC1CC[NH+](C(C)C)CC1 ZINC001233497079 1098352100 /nfs/dbraw/zinc/35/21/00/1098352100.db2.gz MNSWMSAAYHMZAJ-UHFFFAOYSA-N 1 0 321.417 3.332 20 10 DGCDRO C[C@]1(CF)CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233726852 1098416565 /nfs/dbraw/zinc/41/65/65/1098416565.db2.gz IVQMOPIKIQBFAT-CYBMUJFWSA-N 1 0 307.287 3.472 20 10 DGCDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C[C@@H]1CCCCO1 ZINC001233761793 1098424910 /nfs/dbraw/zinc/42/49/10/1098424910.db2.gz YZGRDKJLSNZKJD-LBPRGKRZSA-N 1 0 319.323 3.292 20 10 DGCDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C[C@H]1CCCCO1 ZINC001233761792 1098425098 /nfs/dbraw/zinc/42/50/98/1098425098.db2.gz YZGRDKJLSNZKJD-GFCCVEGCSA-N 1 0 319.323 3.292 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)c1O ZINC001176927488 1098451397 /nfs/dbraw/zinc/45/13/97/1098451397.db2.gz SJIUUNCBWCWMAU-DLBZAZTESA-N 1 0 321.392 3.267 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C)[C@H](O)CC3)c2c1 ZINC001234525210 1098580776 /nfs/dbraw/zinc/58/07/76/1098580776.db2.gz CQGSGMHXFFFBNH-FZKQIMNGSA-N 1 0 315.413 3.147 20 10 DGCDRO CCCCOC[C@@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657542 1098634793 /nfs/dbraw/zinc/63/47/93/1098634793.db2.gz DSLRKUCRTLLICT-QGZVFWFLSA-N 1 0 320.477 3.413 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)CC(C)(C)OC)cc2)CC1 ZINC001234660429 1098637188 /nfs/dbraw/zinc/63/71/88/1098637188.db2.gz IFNQGMLCLOTXHE-MRXNPFEDSA-N 1 0 320.477 3.411 20 10 DGCDRO C[C@@]1(O)CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1F ZINC001234997591 1098740878 /nfs/dbraw/zinc/74/08/78/1098740878.db2.gz CHBSXJMGOWOXHC-PKOBYXMFSA-N 1 0 315.388 3.354 20 10 DGCDRO Oc1c(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)cccc1-c1ccccc1 ZINC001235002483 1098745009 /nfs/dbraw/zinc/74/50/09/1098745009.db2.gz QNZSWAHSSBFSKL-MSOLQXFVSA-N 1 0 315.388 3.354 20 10 DGCDRO Oc1c(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)cccc1-c1ccccc1 ZINC001235002491 1098745346 /nfs/dbraw/zinc/74/53/46/1098745346.db2.gz QNZSWAHSSBFSKL-ZWKOTPCHSA-N 1 0 315.388 3.354 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC3CC2(C[NH3+])C3)cc1Cl ZINC001235008724 1098749506 /nfs/dbraw/zinc/74/95/06/1098749506.db2.gz TYYMRLJDBBDGDN-UHFFFAOYSA-N 1 0 308.853 3.266 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001178213898 1098749873 /nfs/dbraw/zinc/74/98/73/1098749873.db2.gz VOVAEQRZRYRBIW-UHFFFAOYSA-N 1 0 301.434 3.152 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156580 1098841129 /nfs/dbraw/zinc/84/11/29/1098841129.db2.gz HHECKDBDDJXIKL-MRXNPFEDSA-N 1 0 310.388 3.025 20 10 DGCDRO CN1CCCc2cc(CN3CCCC[C@]34CCC[NH2+]C4)ccc21 ZINC001235167247 1098848971 /nfs/dbraw/zinc/84/89/71/1098848971.db2.gz GQTVJVIMFTWTOV-HXUWFJFHSA-N 1 0 313.489 3.177 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)Cc1ncc(Cl)cn1 ZINC001235424339 1099017377 /nfs/dbraw/zinc/01/73/77/1099017377.db2.gz RJEJIWLBCJLRMV-UHFFFAOYSA-N 1 0 304.825 3.218 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1 ZINC001179142194 1099019359 /nfs/dbraw/zinc/01/93/59/1099019359.db2.gz BQTCWSPOEFLZKG-GOSISDBHSA-N 1 0 303.494 3.495 20 10 DGCDRO CC(C)(C)c1ccc(C[NH+]2CCC3(CCOC3=O)CC2)c(O)c1 ZINC001235678683 1099121787 /nfs/dbraw/zinc/12/17/87/1099121787.db2.gz KTVVKCIGLNMTFK-UHFFFAOYSA-N 1 0 317.429 3.219 20 10 DGCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CC12CC2 ZINC001235682484 1099126526 /nfs/dbraw/zinc/12/65/26/1099126526.db2.gz XEZMQMBRVOQVHS-OAHLLOKOSA-N 1 0 317.429 3.075 20 10 DGCDRO COc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1Cl ZINC001235707013 1099139638 /nfs/dbraw/zinc/13/96/38/1099139638.db2.gz VOTZLKLXGRWAQX-UHFFFAOYSA-N 1 0 319.836 3.442 20 10 DGCDRO Cc1ccc(C)c(CN2CC[NH2+]C[C@H]2c2ccccc2F)c1O ZINC001235736897 1099154959 /nfs/dbraw/zinc/15/49/59/1099154959.db2.gz PZAMZJQTTDJCKO-SFHVURJKSA-N 1 0 314.404 3.295 20 10 DGCDRO CCOc1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1F ZINC001235807727 1099189545 /nfs/dbraw/zinc/18/95/45/1099189545.db2.gz UFCYRWVUJYHASF-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCC(C)(C)C2)cc1F ZINC001179768568 1099189593 /nfs/dbraw/zinc/18/95/93/1099189593.db2.gz RQLWGZBDAMVISN-UHFFFAOYSA-N 1 0 321.484 3.493 20 10 DGCDRO C[NH2+]Cc1ccc(NC(=O)/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001180125489 1099322497 /nfs/dbraw/zinc/32/24/97/1099322497.db2.gz FZFDXGKNSDTXJR-MDWZMJQESA-N 1 0 309.413 3.124 20 10 DGCDRO CCN(Cc1c(O)ccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC001236008614 1099331929 /nfs/dbraw/zinc/33/19/29/1099331929.db2.gz GMJYJCZRJJRLFG-JTQLQIEISA-N 1 0 303.233 3.273 20 10 DGCDRO CCCC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC001236139331 1099424813 /nfs/dbraw/zinc/42/48/13/1099424813.db2.gz MHZGXSNWOHSHTB-SFHVURJKSA-N 1 0 301.478 3.251 20 10 DGCDRO CCCC[C@@H]1CN(Cc2c(O)cc(OC)cc2Cl)CC[NH2+]1 ZINC001236142511 1099428061 /nfs/dbraw/zinc/42/80/61/1099428061.db2.gz QTPYFKVPUZYCQI-GFCCVEGCSA-N 1 0 312.841 3.018 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@H]([NH2+]C3CC3)C2)c(Cl)c1 ZINC001236217629 1099473351 /nfs/dbraw/zinc/47/33/51/1099473351.db2.gz CVRLAXABTNQOCB-HNNXBMFYSA-N 1 0 307.869 3.122 20 10 DGCDRO CN(Cc1c(O)ccc(Cl)c1Cl)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219305 1099476258 /nfs/dbraw/zinc/47/62/58/1099476258.db2.gz VDKTVADTWXBAIB-NEPJUHHUSA-N 1 0 303.233 3.401 20 10 DGCDRO CN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220442 1099477913 /nfs/dbraw/zinc/47/79/13/1099477913.db2.gz ZFCHZGNVENKZGW-CVEARBPZSA-N 1 0 316.445 3.278 20 10 DGCDRO CO[C@H](CC(C)C)CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001180666312 1099486891 /nfs/dbraw/zinc/48/68/91/1099486891.db2.gz WLOVBRNZTVXVHW-GOSISDBHSA-N 1 0 308.466 3.124 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3ccc(N)cc3C2)c(Cl)c1 ZINC001236235155 1099487202 /nfs/dbraw/zinc/48/72/02/1099487202.db2.gz WIBLOZAWTRHPDK-UHFFFAOYSA-N 1 0 318.804 3.195 20 10 DGCDRO Nc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001236234371 1099488050 /nfs/dbraw/zinc/48/80/50/1099488050.db2.gz XXFAOJUXJOBYKK-UHFFFAOYSA-N 1 0 307.441 3.427 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236238919 1099491691 /nfs/dbraw/zinc/49/16/91/1099491691.db2.gz DPCRWCCHUXLSAV-CQSZACIVSA-N 1 0 314.351 3.127 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN(C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236240455 1099495259 /nfs/dbraw/zinc/49/52/59/1099495259.db2.gz MBDXIEXDRMSOPB-KRWDZBQOSA-N 1 0 302.462 3.406 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001203664168 1099535281 /nfs/dbraw/zinc/53/52/81/1099535281.db2.gz PNIVGUZDZDOOLI-UHFFFAOYSA-N 1 0 303.793 3.215 20 10 DGCDRO CCCN(Cc1cc(Cl)c(Cl)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236324009 1099537065 /nfs/dbraw/zinc/53/70/65/1099537065.db2.gz MUTXTTCWVNABNS-LLVKDONJSA-N 1 0 303.233 3.273 20 10 DGCDRO [O-]c1c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc(F)c1F ZINC001236374910 1099559114 /nfs/dbraw/zinc/55/91/14/1099559114.db2.gz GKBCZFMBPGYDKB-CYBMUJFWSA-N 1 0 324.415 3.415 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376966 1099564550 /nfs/dbraw/zinc/56/45/50/1099564550.db2.gz WUFOFZWJYDNZIS-ZDUSSCGKSA-N 1 0 324.415 3.415 20 10 DGCDRO COc1cc(O)c(CN(C(C)C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236470515 1099630256 /nfs/dbraw/zinc/63/02/56/1099630256.db2.gz JDJGZCUOKOPRHC-CYBMUJFWSA-N 1 0 312.841 3.017 20 10 DGCDRO CCOc1ccc(CN(CC(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236474903 1099633671 /nfs/dbraw/zinc/63/36/71/1099633671.db2.gz OSDVEFGCSFXAPS-MRXNPFEDSA-N 1 0 306.450 3.001 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC001236530462 1099665916 /nfs/dbraw/zinc/66/59/16/1099665916.db2.gz UBBTXGHHTJBONH-HXUWFJFHSA-N 1 0 309.457 3.420 20 10 DGCDRO [NH3+][C@H]1CC[C@H]([N@@H+](Cc2c([O-])cccc2F)CC2CCC2)CC1 ZINC001236542402 1099672799 /nfs/dbraw/zinc/67/27/99/1099672799.db2.gz PUEZNEWJUSFEOO-SHTZXODSSA-N 1 0 306.425 3.403 20 10 DGCDRO Cc1cc(F)cc(CN([C@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236664370 1099732642 /nfs/dbraw/zinc/73/26/42/1099732642.db2.gz SDVQKDZATGMCFL-KRWDZBQOSA-N 1 0 306.425 3.336 20 10 DGCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236761979 1099774199 /nfs/dbraw/zinc/77/41/99/1099774199.db2.gz LXUGEUCSLBNRKJ-LBPRGKRZSA-N 1 0 314.223 3.481 20 10 DGCDRO Oc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(O)cc1Br ZINC001236766926 1099775996 /nfs/dbraw/zinc/77/59/96/1099775996.db2.gz JUIAJWBRGCXWJT-AOOOYVTPSA-N 1 0 312.207 3.092 20 10 DGCDRO CCC(CC)[N@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236770857 1099776071 /nfs/dbraw/zinc/77/60/71/1099776071.db2.gz KZTPYDRJIOVYTM-UHFFFAOYSA-N 1 0 302.212 3.481 20 10 DGCDRO CCc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC001236785401 1099782464 /nfs/dbraw/zinc/78/24/64/1099782464.db2.gz JBLYSBMUSPCXCT-UHFFFAOYSA-N 1 0 310.441 3.272 20 10 DGCDRO CCc1ccc(C[NH+]2CCC(c3nnc(C)o3)CC2)c(O)c1 ZINC001236789614 1099782494 /nfs/dbraw/zinc/78/24/94/1099782494.db2.gz CLGQVCUWFZXVSJ-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO CCc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236787564 1099785150 /nfs/dbraw/zinc/78/51/50/1099785150.db2.gz WNRLIGHVQWBLLX-HNNXBMFYSA-N 1 0 320.433 3.054 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)c(O)c1 ZINC001236791733 1099787322 /nfs/dbraw/zinc/78/73/22/1099787322.db2.gz JDHVJEWHHFWVRU-HNNXBMFYSA-N 1 0 301.390 3.026 20 10 DGCDRO CC[N@H+](CCOC)Cc1cc(OCc2ccccc2)ccc1O ZINC001236794022 1099787416 /nfs/dbraw/zinc/78/74/16/1099787416.db2.gz VURSLWKGEPOOMD-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826145 1099811814 /nfs/dbraw/zinc/81/18/14/1099811814.db2.gz HDZQPPAOAHUHKN-CZUORRHYSA-N 1 0 313.397 3.319 20 10 DGCDRO O=C1CCC[C@]2(CCC[N@@H+](Cc3cc4ccccc4cc3O)C2)N1 ZINC001236833753 1099820611 /nfs/dbraw/zinc/82/06/11/1099820611.db2.gz YALUJDIKXGFKHG-HXUWFJFHSA-N 1 0 324.424 3.180 20 10 DGCDRO FC[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236922784 1099880635 /nfs/dbraw/zinc/88/06/35/1099880635.db2.gz AKDCBTFZYFFTAF-OAHLLOKOSA-N 1 0 312.816 3.111 20 10 DGCDRO CCN(CC)c1ccc(CN2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001237020312 1099931824 /nfs/dbraw/zinc/93/18/24/1099931824.db2.gz SDWGOMHGMCNTIK-NRFANRHFSA-N 1 0 323.484 3.418 20 10 DGCDRO CCOc1ccc(CN2CCCC[C@H]2C[NH+]2CCCC2)c(O)c1 ZINC001237041479 1099939836 /nfs/dbraw/zinc/93/98/36/1099939836.db2.gz LNXPNRXOHXZVMU-KRWDZBQOSA-N 1 0 318.461 3.241 20 10 DGCDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237054472 1099948087 /nfs/dbraw/zinc/94/80/87/1099948087.db2.gz ZFAPAASIRXWTAW-KRWDZBQOSA-N 1 0 318.461 3.396 20 10 DGCDRO CC(C)C[NH+]1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237077161 1099954953 /nfs/dbraw/zinc/95/49/53/1099954953.db2.gz DAVYBBZEVMIJAQ-UHFFFAOYSA-N 1 0 317.260 3.473 20 10 DGCDRO C[NH+](C)CC1CC[NH+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237082993 1099962477 /nfs/dbraw/zinc/96/24/77/1099962477.db2.gz VIWTUXKJWLBOFZ-UHFFFAOYSA-N 1 0 317.260 3.473 20 10 DGCDRO CC[NH+]1C[C@H]2CN(Cc3c(O)ccc(Cl)c3Cl)C[C@@H]2C1 ZINC001237085883 1099964243 /nfs/dbraw/zinc/96/42/43/1099964243.db2.gz JYZHRWLQFCSZMH-QWRGUYRKSA-N 1 0 315.244 3.083 20 10 DGCDRO CC(C)[N@@H+]1CCN(Cc2c(O)ccc(F)c2Cl)C[C@@H]1C ZINC001237128351 1099984828 /nfs/dbraw/zinc/98/48/28/1099984828.db2.gz POBTZCZCAPMHHF-NSHDSACASA-N 1 0 300.805 3.099 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)CCC[C@@]1(C)O ZINC001237125002 1099984970 /nfs/dbraw/zinc/98/49/70/1099984970.db2.gz UUNTZDKJTUMVMV-MEBBXXQBSA-N 1 0 301.789 3.168 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@]1(C)O ZINC001237138237 1099990480 /nfs/dbraw/zinc/99/04/80/1099990480.db2.gz WCGOFKBJZRUHDL-YGRLFVJLSA-N 1 0 303.324 3.004 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCNC4=CCCC[C@H]43)c2c1 ZINC001237228296 1100039699 /nfs/dbraw/zinc/03/96/99/1100039699.db2.gz JDTZASYTDHUKKS-LJQANCHMSA-N 1 0 324.424 3.396 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001237487219 1100139431 /nfs/dbraw/zinc/13/94/31/1100139431.db2.gz HBXITDMVTNRVFO-AZUAARDMSA-N 1 0 322.452 3.407 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3c(C)cccc3O)CC2)no1 ZINC001237489395 1100141448 /nfs/dbraw/zinc/14/14/48/1100141448.db2.gz AGWLZOXOEXNARS-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1c(C)cccc1O)C2 ZINC001237488401 1100142117 /nfs/dbraw/zinc/14/21/17/1100142117.db2.gz LIAQFCSDSXBDAA-LJQANCHMSA-N 1 0 316.445 3.068 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2c(C)cccc2O)c1OC ZINC001237492916 1100143980 /nfs/dbraw/zinc/14/39/80/1100143980.db2.gz UNFBEQRUCIDFBE-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCC(O)CC1 ZINC001237642125 1100199196 /nfs/dbraw/zinc/19/91/96/1100199196.db2.gz ZVAGNAROLUDRDR-UHFFFAOYSA-N 1 0 301.361 3.155 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)[C@@H]1C ZINC001237687146 1100214264 /nfs/dbraw/zinc/21/42/64/1100214264.db2.gz RMYPSTUCOQRNHI-BXUZGUMPSA-N 1 0 311.809 3.128 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(c3ccn(C)n3)CC2)c1O ZINC001237690401 1100215223 /nfs/dbraw/zinc/21/52/23/1100215223.db2.gz XDMGKCUGPZPKMC-UHFFFAOYSA-N 1 0 319.836 3.467 20 10 DGCDRO C[N@@H+]1CCN(Cc2cc(F)c(Cl)cc2O)C2(CCCC2)C1 ZINC001237941621 1100299984 /nfs/dbraw/zinc/29/99/84/1100299984.db2.gz ZISJCKVWDHCIFI-UHFFFAOYSA-N 1 0 312.816 3.245 20 10 DGCDRO Cc1cc(F)cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC001238071459 1100351361 /nfs/dbraw/zinc/35/13/61/1100351361.db2.gz XSRMQEIAIKLRKY-UHFFFAOYSA-N 1 0 303.333 3.200 20 10 DGCDRO CSc1ncc(C)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001238718317 1100511932 /nfs/dbraw/zinc/51/19/32/1100511932.db2.gz KRPAIKFGQACRQA-UHFFFAOYSA-N 1 0 300.427 3.376 20 10 DGCDRO c1ccc(N2CC=C(c3ccccc3N3CC[NH2+]CC3)CC2)cc1 ZINC001241356171 1101400221 /nfs/dbraw/zinc/40/02/21/1101400221.db2.gz URMTXKAMBCHDQK-UHFFFAOYSA-N 1 0 319.452 3.390 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001197326684 1101548197 /nfs/dbraw/zinc/54/81/97/1101548197.db2.gz UURFXGKPLINMQD-HNNXBMFYSA-N 1 0 316.367 3.214 20 10 DGCDRO Oc1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)cc1O ZINC001203882691 1101645560 /nfs/dbraw/zinc/64/55/60/1101645560.db2.gz QXLSIDJRXCFMFK-UHFFFAOYSA-N 1 0 311.381 3.119 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCOC1CCSCC1 ZINC001203962056 1102485242 /nfs/dbraw/zinc/48/52/42/1102485242.db2.gz WLMNBKGDEATRIY-UHFFFAOYSA-N 1 0 318.486 3.489 20 10 DGCDRO c1[nH]nc2cc(CC[NH2+]Cc3ccc4c(c3)CCCO4)ccc12 ZINC001202374404 1102965868 /nfs/dbraw/zinc/96/58/68/1102965868.db2.gz KLAONIKYDOZLNO-UHFFFAOYSA-N 1 0 307.397 3.220 20 10 DGCDRO Cc1cc(CN2CC[NH+](C3CC3)CC2)c(C)n1-c1ccccc1 ZINC001137854000 1103065021 /nfs/dbraw/zinc/06/50/21/1103065021.db2.gz DRJBXNVLBBVCDR-UHFFFAOYSA-N 1 0 309.457 3.374 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cc(OCC(F)F)ccn1)CC2 ZINC001326623727 1103389761 /nfs/dbraw/zinc/38/97/61/1103389761.db2.gz TYHOTPRIYVKXCY-AWEZNQCLSA-N 1 0 320.339 3.208 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001326637465 1103395105 /nfs/dbraw/zinc/39/51/05/1103395105.db2.gz PIPDJGNFHWMWKQ-VOTSOKGWSA-N 1 0 301.478 3.182 20 10 DGCDRO CCn1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)c1=O ZINC001326722213 1103418646 /nfs/dbraw/zinc/41/86/46/1103418646.db2.gz WMIOJSBRFGEBGV-ZFWWWQNUSA-N 1 0 312.413 3.220 20 10 DGCDRO Cn1cc(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)cn1 ZINC001326828336 1103455960 /nfs/dbraw/zinc/45/59/60/1103455960.db2.gz QPNDOTPLWXFWQP-UHFFFAOYSA-N 1 0 319.408 3.312 20 10 DGCDRO [O-]c1cccc(F)c1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276361000 1103535352 /nfs/dbraw/zinc/53/53/52/1103535352.db2.gz ZHXVXDVQRVYYPD-UHFFFAOYSA-N 1 0 318.436 3.372 20 10 DGCDRO Cc1cc(C)c(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c(O)c1 ZINC001276365911 1103573110 /nfs/dbraw/zinc/57/31/10/1103573110.db2.gz WRCYJSSPGNNUHE-QFBILLFUSA-N 1 0 314.473 3.458 20 10 DGCDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001327578082 1103685820 /nfs/dbraw/zinc/68/58/20/1103685820.db2.gz RLKDENFXLKCSGE-SFHVURJKSA-N 1 0 301.478 3.249 20 10 DGCDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001327578080 1103685945 /nfs/dbraw/zinc/68/59/45/1103685945.db2.gz RLKDENFXLKCSGE-GOSISDBHSA-N 1 0 301.478 3.249 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1F ZINC001328688195 1104022301 /nfs/dbraw/zinc/02/23/01/1104022301.db2.gz HCYYAZGYSLFSSI-IRXDYDNUSA-N 1 0 310.388 3.078 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1F ZINC001328688194 1104022482 /nfs/dbraw/zinc/02/24/82/1104022482.db2.gz HCYYAZGYSLFSSI-IAGOWNOFSA-N 1 0 310.388 3.078 20 10 DGCDRO Cc1cc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)[nH]n1 ZINC001329158212 1104173162 /nfs/dbraw/zinc/17/31/62/1104173162.db2.gz SVDCSJXFESMRCM-UHFFFAOYSA-N 1 0 308.429 3.458 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C=C2CCC2)cc1C ZINC001274698524 1104462245 /nfs/dbraw/zinc/46/22/45/1104462245.db2.gz UWDSRYYWHPGFKF-HNNXBMFYSA-N 1 0 316.445 3.098 20 10 DGCDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001330303215 1104534387 /nfs/dbraw/zinc/53/43/87/1104534387.db2.gz XCAPSNSLBAYWOX-QGZVFWFLSA-N 1 0 301.478 3.249 20 10 DGCDRO Cc1cc(O)c(CN2CCO[C@](C)(C(F)F)C2)cc1Cl ZINC001330434200 1104551382 /nfs/dbraw/zinc/55/13/82/1104551382.db2.gz HQHSZXYXKGBBRI-AWEZNQCLSA-N 1 0 305.752 3.210 20 10 DGCDRO Cc1ccc(F)c2nc(-c3ccc(N4CC[NH2+]CC4)cc3)[nH]c21 ZINC001247017379 1104779379 /nfs/dbraw/zinc/77/93/79/1104779379.db2.gz JVKOBGNOSUYOHS-UHFFFAOYSA-N 1 0 310.376 3.087 20 10 DGCDRO C[NH2+]CCCc1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247620577 1104939192 /nfs/dbraw/zinc/93/91/92/1104939192.db2.gz ILXOJPODFBNQFE-UHFFFAOYSA-N 1 0 310.401 3.296 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CCCC[NH3+])n2)cc1 ZINC001247689347 1104956928 /nfs/dbraw/zinc/95/69/28/1104956928.db2.gz WGIRKEZRIJRAAA-UHFFFAOYSA-N 1 0 310.401 3.426 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C)c2ccccc21 ZINC001275938461 1104962870 /nfs/dbraw/zinc/96/28/70/1104962870.db2.gz UCIRGLUDEKZGRS-PMACEKPBSA-N 1 0 309.457 3.184 20 10 DGCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001249208511 1105247657 /nfs/dbraw/zinc/24/76/57/1105247657.db2.gz UZLBHLGGPIHPRZ-DOTOQJQBSA-N 1 0 317.429 3.262 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[C@@H]1O ZINC001249223836 1105249305 /nfs/dbraw/zinc/24/93/05/1105249305.db2.gz OLSZXCCUACEHGO-CJNGLKHVSA-N 1 0 317.429 3.169 20 10 DGCDRO COCC1CC[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249223456 1105249827 /nfs/dbraw/zinc/24/98/27/1105249827.db2.gz GVEWIRYYKKMISG-UHFFFAOYSA-N 1 0 317.429 3.435 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[C@@]1(C)O ZINC001249223853 1105250118 /nfs/dbraw/zinc/25/01/18/1105250118.db2.gz OYYSHJRPUCVHAM-BFUOFWGJSA-N 1 0 317.429 3.169 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCOC[C@H]3C3CC3)ccc2O1 ZINC001249258073 1105258766 /nfs/dbraw/zinc/25/87/66/1105258766.db2.gz CHQLVLLDJLPPPK-INIZCTEOSA-N 1 0 315.413 3.187 20 10 DGCDRO COc1nc(OC)c(CN(C)Cc2ccccc2O)cc1Cl ZINC001249827164 1105389618 /nfs/dbraw/zinc/38/96/18/1105389618.db2.gz VMQJJVBWCGEIPL-UHFFFAOYSA-N 1 0 322.792 3.090 20 10 DGCDRO COc1cc(-c2nc3c(cccc3F)[nH]2)cc(C[NH+](C)C)c1O ZINC001250767169 1105580174 /nfs/dbraw/zinc/58/01/74/1105580174.db2.gz WDGROEAZIVSNNN-UHFFFAOYSA-N 1 0 315.348 3.145 20 10 DGCDRO CCCC[C@@H](CC)COC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC001253010738 1105876300 /nfs/dbraw/zinc/87/63/00/1105876300.db2.gz WIPLQZIMOKSQEX-AEFFLSMTSA-N 1 0 323.477 3.418 20 10 DGCDRO CCCCC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001253540864 1105954183 /nfs/dbraw/zinc/95/41/83/1105954183.db2.gz ICWGAPJXNWLEMA-KRWDZBQOSA-N 1 0 320.477 3.067 20 10 DGCDRO C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001254504330 1106085839 /nfs/dbraw/zinc/08/58/39/1106085839.db2.gz UEAUJQWPLJAQFV-CYBMUJFWSA-N 1 0 319.836 3.168 20 10 DGCDRO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001255589901 1106274931 /nfs/dbraw/zinc/27/49/31/1106274931.db2.gz ANWOHGHQPMRJMB-AWEZNQCLSA-N 1 0 320.433 3.108 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCN(C2CC2)CC1 ZINC001256076590 1106365499 /nfs/dbraw/zinc/36/54/99/1106365499.db2.gz HKTDQUHMUYYYHU-UHFFFAOYSA-N 1 0 313.489 3.345 20 10 DGCDRO Oc1ccc(CC[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cc1O ZINC001256789253 1106483020 /nfs/dbraw/zinc/48/30/20/1106483020.db2.gz HCZDMTRUVMNQLX-QFBILLFUSA-N 1 0 313.397 3.150 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001257031396 1106526817 /nfs/dbraw/zinc/52/68/17/1106526817.db2.gz DXTPCMLHJSJESL-SJORKVTESA-N 1 0 316.445 3.108 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001257031394 1106526965 /nfs/dbraw/zinc/52/69/65/1106526965.db2.gz DXTPCMLHJSJESL-IAGOWNOFSA-N 1 0 316.445 3.108 20 10 DGCDRO CCOC(=O)CCC[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001258129155 1106678868 /nfs/dbraw/zinc/67/88/68/1106678868.db2.gz UYPDZIIFRVHVAK-HNNXBMFYSA-N 1 0 306.450 3.306 20 10 DGCDRO C[C@@H](Cc1ccco1)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001258182066 1106688924 /nfs/dbraw/zinc/68/89/24/1106688924.db2.gz USYNRMDHPIGHNT-HNNXBMFYSA-N 1 0 314.429 3.170 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H](C)CCSC)CC2)c(C)c1 ZINC001258224680 1106702047 /nfs/dbraw/zinc/70/20/47/1106702047.db2.gz PSEPWAYPHVUMIQ-OAHLLOKOSA-N 1 0 308.491 3.267 20 10 DGCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001258393356 1106729613 /nfs/dbraw/zinc/72/96/13/1106729613.db2.gz RBIJWKCJSFEXAJ-CYBMUJFWSA-N 1 0 301.386 3.217 20 10 DGCDRO CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258649298 1106878396 /nfs/dbraw/zinc/87/83/96/1106878396.db2.gz ZACUILPFZZCEME-QFBILLFUSA-N 1 0 315.413 3.132 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@]1(N(C)C)CCSC1 ZINC001320118882 1106884897 /nfs/dbraw/zinc/88/48/97/1106884897.db2.gz SXJRVIJUUBIIFR-QWQRMKEZSA-N 1 0 320.502 3.276 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001320167854 1106910994 /nfs/dbraw/zinc/91/09/94/1106910994.db2.gz ZVJMEBNGVZMZHQ-UHFFFAOYSA-N 1 0 312.369 3.476 20 10 DGCDRO COC(=O)CC[N@@H+](Cc1ccc(N2CCCC2)cc1)CC(C)C ZINC001320490029 1107022489 /nfs/dbraw/zinc/02/24/89/1107022489.db2.gz IPCKGSHBGJYXTM-UHFFFAOYSA-N 1 0 318.461 3.308 20 10 DGCDRO CC(C)CC[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320489288 1107022849 /nfs/dbraw/zinc/02/28/49/1107022849.db2.gz BLZQXLXMTQPMSE-UHFFFAOYSA-N 1 0 307.457 3.055 20 10 DGCDRO CCC(O)(CC)CC[NH2+]Cc1c(O)cccc1Br ZINC001261814221 1107535196 /nfs/dbraw/zinc/53/51/96/1107535196.db2.gz TXDMKXCTEYBWDU-UHFFFAOYSA-N 1 0 316.239 3.186 20 10 DGCDRO COCC1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001324085675 1108172834 /nfs/dbraw/zinc/17/28/34/1108172834.db2.gz BEUKXXRRYINNON-LSDHHAIUSA-N 1 0 319.445 3.282 20 10 DGCDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001324587399 1108359785 /nfs/dbraw/zinc/35/97/85/1108359785.db2.gz KAYSOAFEYWCYMK-KRWDZBQOSA-N 1 0 303.494 3.497 20 10 DGCDRO COC(=O)CC(C)(C)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC001324611535 1108377898 /nfs/dbraw/zinc/37/78/98/1108377898.db2.gz ZXBCXAWWUYRNEH-FPLPWBNLSA-N 1 0 304.434 3.039 20 10 DGCDRO COC(=O)CC(C)(C)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC001324611534 1108378045 /nfs/dbraw/zinc/37/80/45/1108378045.db2.gz ZXBCXAWWUYRNEH-BQYQJAHWSA-N 1 0 304.434 3.039 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC001324777096 1108461301 /nfs/dbraw/zinc/46/13/01/1108461301.db2.gz VDCBTEMXUHLCDW-HKUYNNGSSA-N 1 0 300.446 3.288 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC001324777097 1108461637 /nfs/dbraw/zinc/46/16/37/1108461637.db2.gz VDCBTEMXUHLCDW-IEBWSBKVSA-N 1 0 300.446 3.288 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001324965655 1108539002 /nfs/dbraw/zinc/53/90/02/1108539002.db2.gz RPVHMUMMIWKTLX-SOUVJXGZSA-N 1 0 318.461 3.391 20 10 DGCDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001319713251 1108606590 /nfs/dbraw/zinc/60/65/90/1108606590.db2.gz VLSSJPSWGVDVJA-DLBZAZTESA-N 1 0 301.478 3.201 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCCCCCCO)CC2)cc1 ZINC001319715531 1108607604 /nfs/dbraw/zinc/60/76/04/1108607604.db2.gz SRYIKEDVJONJOO-UHFFFAOYSA-N 1 0 320.477 3.150 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC001325341365 1108626261 /nfs/dbraw/zinc/62/62/61/1108626261.db2.gz VHKKEMWUOWGOBU-PVUWLOKVSA-N 1 0 323.440 3.494 20 10 DGCDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC001319825797 1108653015 /nfs/dbraw/zinc/65/30/15/1108653015.db2.gz FDMBKOCGMFCKEJ-AWEZNQCLSA-N 1 0 315.413 3.472 20 10 DGCDRO c1n[nH]cc1C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319933029 1108700329 /nfs/dbraw/zinc/70/03/29/1108700329.db2.gz KXUOURWENOSHHU-UHFFFAOYSA-N 1 0 310.445 3.390 20 10 DGCDRO Cc1nnc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)s1 ZINC000391840704 1108782405 /nfs/dbraw/zinc/78/24/05/1108782405.db2.gz MJFFFUAWNGVZLU-JQWIXIFHSA-N 1 0 303.431 3.241 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1([S@@](C)=O)CCC1 ZINC000393699516 1109049178 /nfs/dbraw/zinc/04/91/78/1109049178.db2.gz YRYCNNUFIHIOQP-RRMDADRESA-N 1 0 307.459 3.140 20 10 DGCDRO CC[C@@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266127404 1109102797 /nfs/dbraw/zinc/10/27/97/1109102797.db2.gz GCGJJUDXZDPCKY-UKRRQHHQSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2=CCCC2)cc1C ZINC001282114647 1109452666 /nfs/dbraw/zinc/45/26/66/1109452666.db2.gz UNPMZNCXYKYJFS-LSDHHAIUSA-N 1 0 316.445 3.097 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2=CCCC2)cc1C ZINC001283594779 1109658175 /nfs/dbraw/zinc/65/81/75/1109658175.db2.gz NPFHJRGTXSWMGX-OAHLLOKOSA-N 1 0 316.445 3.050 20 10 DGCDRO CC[C@H](C)[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001289599748 1110216215 /nfs/dbraw/zinc/21/62/15/1110216215.db2.gz IHLIBVRCCZFOOB-MPGHIAIKSA-N 1 0 319.493 3.154 20 10 DGCDRO Oc1c(CNc2cc[nH+]cc2C(F)(F)F)ccc2cccnc21 ZINC001307145874 1111271146 /nfs/dbraw/zinc/27/11/46/1111271146.db2.gz PKURWRDJTQSECQ-UHFFFAOYSA-N 1 0 319.286 3.388 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)ccc1N(C)C ZINC001307861324 1111347059 /nfs/dbraw/zinc/34/70/59/1111347059.db2.gz VHWQRRYTFGXYAO-FQEVSTJZSA-N 1 0 312.457 3.401 20 10 DGCDRO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](OC)C2CCCC2)cc1 ZINC001307896395 1111352664 /nfs/dbraw/zinc/35/26/64/1111352664.db2.gz APTYXMASYGCEIP-LJQANCHMSA-N 1 0 320.477 3.268 20 10 DGCDRO CCCn1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)c(C)n1 ZINC001308261990 1111407074 /nfs/dbraw/zinc/40/70/74/1111407074.db2.gz QBCOYFAEOARWMM-UHFFFAOYSA-N 1 0 300.450 3.266 20 10 DGCDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308292087 1111412364 /nfs/dbraw/zinc/41/23/64/1111412364.db2.gz ICOFUGNKUBQTGD-MAUKXSAKSA-N 1 0 308.441 3.433 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308365384 1111422453 /nfs/dbraw/zinc/42/24/53/1111422453.db2.gz CZSCHKSFHFQALT-KRWDZBQOSA-N 1 0 315.413 3.342 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1O ZINC001308579208 1111447674 /nfs/dbraw/zinc/44/76/74/1111447674.db2.gz YWMBAEIZJRPJIR-SFHVURJKSA-N 1 0 302.462 3.405 20 10 DGCDRO C[C@H]1SCC[N@H+](Cc2c(O)cccc2Br)[C@@H]1C ZINC001308620414 1111452022 /nfs/dbraw/zinc/45/20/22/1111452022.db2.gz VANLVSXQQQWSCS-NXEZZACHSA-N 1 0 316.264 3.481 20 10 DGCDRO CCCO[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001308633685 1111453394 /nfs/dbraw/zinc/45/33/94/1111453394.db2.gz NBCOPWOOXQXQSV-HNNXBMFYSA-N 1 0 307.434 3.490 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](C)C2)c2cc(F)ccc2n1C ZINC001308647278 1111456023 /nfs/dbraw/zinc/45/60/23/1111456023.db2.gz HTYVVRFRHNKJGO-LBPRGKRZSA-N 1 0 318.392 3.336 20 10 DGCDRO CCCN(CC(C)(C)CC(=O)OCC)c1ccc(C[NH3+])cc1 ZINC001308738975 1111468641 /nfs/dbraw/zinc/46/86/41/1111468641.db2.gz DQVTWPJWYVDKSQ-UHFFFAOYSA-N 1 0 306.450 3.341 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2c(C)cc(OC)cc2O)cc1 ZINC001308755495 1111470806 /nfs/dbraw/zinc/47/08/06/1111470806.db2.gz HBFVXDHIXPUKIA-IBGZPJMESA-N 1 0 315.413 3.095 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC001308797962 1111476479 /nfs/dbraw/zinc/47/64/79/1111476479.db2.gz MQKLNIIILOCDNB-LPHOPBHVSA-N 1 0 313.397 3.100 20 10 DGCDRO COc1cc(C)c(C[NH+]2CC(C)(CC(F)(F)F)C2)c(O)c1 ZINC001308810410 1111478808 /nfs/dbraw/zinc/47/88/08/1111478808.db2.gz IUHPGQABPGMLAA-UHFFFAOYSA-N 1 0 303.324 3.484 20 10 DGCDRO Cc1ccc(CN(CC[NH3+])c2ccc3ccccc3n2)c(O)c1 ZINC001308822414 1111480446 /nfs/dbraw/zinc/48/04/46/1111480446.db2.gz DESPHTZXBYCTOV-UHFFFAOYSA-N 1 0 307.397 3.214 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC001308926364 1111494729 /nfs/dbraw/zinc/49/47/29/1111494729.db2.gz NYLXNSBMILYKEF-SHTZXODSSA-N 1 0 305.418 3.165 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c(O)c1 ZINC001308947079 1111497952 /nfs/dbraw/zinc/49/79/52/1111497952.db2.gz DVKMVHGFVQIWRL-IRXDYDNUSA-N 1 0 324.424 3.172 20 10 DGCDRO CCOc1ccc(CC[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC001308966966 1111501343 /nfs/dbraw/zinc/50/13/43/1111501343.db2.gz GGCDXPXKCZJOKF-UHFFFAOYSA-N 1 0 301.386 3.132 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(N(C)C)cc1 ZINC000090531754 185300995 /nfs/dbraw/zinc/30/09/95/185300995.db2.gz SWHJLBPXJTUKEC-SCLBCKFNSA-N 1 0 300.450 3.456 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000092437206 185318184 /nfs/dbraw/zinc/31/81/84/185318184.db2.gz BVURDFKYJLIWAI-KRWDZBQOSA-N 1 0 301.386 3.475 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](C(C)C)N2CCCC2)c1O ZINC000236939842 202081940 /nfs/dbraw/zinc/08/19/40/202081940.db2.gz JWMQMXWIKOUTPA-MRXNPFEDSA-N 1 0 306.450 3.001 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2cccn2C)c1O ZINC000179706517 432068512 /nfs/dbraw/zinc/06/85/12/432068512.db2.gz KWRMSWPGBRDXOE-INIZCTEOSA-N 1 0 300.402 3.467 20 10 DGCDRO COc1ccc(O)c(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000179838535 432071851 /nfs/dbraw/zinc/07/18/51/432071851.db2.gz KGFQFXMTKHAMDX-QGZVFWFLSA-N 1 0 317.385 3.175 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@H]1SC ZINC000459506325 243395502 /nfs/dbraw/zinc/39/55/02/243395502.db2.gz PQSHFBGKJMHIOC-BMGDILEWSA-N 1 0 318.486 3.485 20 10 DGCDRO CCOc1cccc(C[NH2+]CCc2ccc(F)c(F)c2)c1O ZINC000190294653 432139970 /nfs/dbraw/zinc/13/99/70/432139970.db2.gz YUGZIIFIIJJMTC-UHFFFAOYSA-N 1 0 307.340 3.401 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C ZINC000268821794 432143331 /nfs/dbraw/zinc/14/33/31/432143331.db2.gz HVNMKAAFBPTHST-QGZVFWFLSA-N 1 0 308.441 3.311 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1O ZINC000272470013 130033343 /nfs/dbraw/zinc/03/33/43/130033343.db2.gz ABJYJJVDYUGOQL-HNNXBMFYSA-N 1 0 313.397 3.302 20 10 DGCDRO CCN1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000273387056 130115997 /nfs/dbraw/zinc/11/59/97/130115997.db2.gz JTQCQEQAWYXPEX-CQSZACIVSA-N 1 0 302.462 3.406 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000273386983 130116122 /nfs/dbraw/zinc/11/61/22/130116122.db2.gz JSVCRSXJYIQCBU-GDBMZVCRSA-N 1 0 317.404 3.342 20 10 DGCDRO CC(C)N1C[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1=O ZINC000273449182 130124165 /nfs/dbraw/zinc/12/41/65/130124165.db2.gz FOSOMCYAKPMEMF-HIFRSBDPSA-N 1 0 312.413 3.205 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c(O)c1C ZINC000273500969 130129731 /nfs/dbraw/zinc/12/97/31/130129731.db2.gz QCQKYKUTXZVOLN-CQSZACIVSA-N 1 0 312.413 3.001 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000273513186 130130528 /nfs/dbraw/zinc/13/05/28/130130528.db2.gz SEFOJZSQEYRDAD-XJKSGUPXSA-N 1 0 303.377 3.094 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c1O ZINC000273526110 130132298 /nfs/dbraw/zinc/13/22/98/130132298.db2.gz UIURLKZWIRVCKF-UHFFFAOYSA-N 1 0 319.788 3.279 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1cnn(C)c1 ZINC000273563779 130137549 /nfs/dbraw/zinc/13/75/49/130137549.db2.gz IUCJTWOJHGFIKU-UWVGGRQHSA-N 1 0 324.222 3.300 20 10 DGCDRO C[C@H]([NH2+]CCOCC1CC1)c1cc(Br)ccc1O ZINC000273569646 130139366 /nfs/dbraw/zinc/13/93/66/130139366.db2.gz KKYIQJRUOCATFG-JTQLQIEISA-N 1 0 314.223 3.232 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273617225 130145658 /nfs/dbraw/zinc/14/56/58/130145658.db2.gz XRINLYZMHAMTPS-KSSFIOAISA-N 1 0 315.413 3.402 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)c(O)c1C ZINC000273619880 130145905 /nfs/dbraw/zinc/14/59/05/130145905.db2.gz YRGWXBIBOZQDDT-MRXNPFEDSA-N 1 0 318.461 3.452 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1O ZINC000273703673 130156759 /nfs/dbraw/zinc/15/67/59/130156759.db2.gz DYSQKDMQERFQCJ-HOTGVXAUSA-N 1 0 311.809 3.101 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccccc2)c1O ZINC000273798944 130169469 /nfs/dbraw/zinc/16/94/69/130169469.db2.gz WSXPYVIQOFUXKB-OAHLLOKOSA-N 1 0 321.804 3.268 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)[C@@]12CCCO2 ZINC000274120558 130208883 /nfs/dbraw/zinc/20/88/83/130208883.db2.gz AJZJCTXAVKGPIK-XZKMEQPCSA-N 1 0 319.445 3.386 20 10 DGCDRO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc(Cl)ccc1O ZINC000274349750 130228327 /nfs/dbraw/zinc/22/83/27/130228327.db2.gz GALBTPHUBUDPBS-SNVBAGLBSA-N 1 0 323.849 3.241 20 10 DGCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000274613819 130249415 /nfs/dbraw/zinc/24/94/15/130249415.db2.gz OACGMNMDQFIQMD-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccnc1OCCOC)c1ccccc1O ZINC000274863719 130268075 /nfs/dbraw/zinc/26/80/75/130268075.db2.gz DJBPYGYOQLVKBO-INIZCTEOSA-N 1 0 316.401 3.053 20 10 DGCDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000275300889 130302798 /nfs/dbraw/zinc/30/27/98/130302798.db2.gz QLWUCNARZNWHGD-RCDICMHDSA-N 1 0 317.454 3.258 20 10 DGCDRO Cc1ccc2nc(C[NH2+]Cc3ccc4c(c3)CCCN4C)cn2c1 ZINC000284123472 131051091 /nfs/dbraw/zinc/05/10/91/131051091.db2.gz XRPAVXCVOHCSDS-UHFFFAOYSA-N 1 0 320.440 3.315 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c(O)c1 ZINC000284972328 131127175 /nfs/dbraw/zinc/12/71/75/131127175.db2.gz FVHYROQYVRECDL-CVEARBPZSA-N 1 0 311.429 3.334 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000284975049 131127304 /nfs/dbraw/zinc/12/73/04/131127304.db2.gz FWEVTFBMXSXRGN-WMLDXEAASA-N 1 0 317.404 3.402 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1-n1ccnn1 ZINC000285597879 131185534 /nfs/dbraw/zinc/18/55/34/131185534.db2.gz JPVRZECBQBTAKU-HNNXBMFYSA-N 1 0 321.428 3.184 20 10 DGCDRO Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000286073539 131217898 /nfs/dbraw/zinc/21/78/98/131217898.db2.gz LXUZFRINMGHQMC-MRXNPFEDSA-N 1 0 311.429 3.077 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1O ZINC000287136570 131266404 /nfs/dbraw/zinc/26/64/04/131266404.db2.gz RYJCBBNPAVCNFL-DYVFJYSZSA-N 1 0 302.393 3.485 20 10 DGCDRO C[C@@H]([NH2+]CC1=CCCOC1)c1cc(Br)ccc1O ZINC000287201902 131268868 /nfs/dbraw/zinc/26/88/68/131268868.db2.gz WIZXIFFEWRRFRP-SNVBAGLBSA-N 1 0 312.207 3.152 20 10 DGCDRO Oc1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000289243207 131368490 /nfs/dbraw/zinc/36/84/90/131368490.db2.gz DTZSPRUOOBQYOT-QRVBRYPASA-N 1 0 309.409 3.397 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)c1O ZINC000289519423 131392818 /nfs/dbraw/zinc/39/28/18/131392818.db2.gz VEVWBAWCDCEZQM-UHFFFAOYSA-N 1 0 306.431 3.445 20 10 DGCDRO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cc2c(cc1O)CCCC2 ZINC000295837952 131923554 /nfs/dbraw/zinc/92/35/54/131923554.db2.gz AICXWUKHLJNNCH-LLVKDONJSA-N 1 0 312.417 3.117 20 10 DGCDRO Cc1cc(O)c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1C ZINC000298310812 132055870 /nfs/dbraw/zinc/05/58/70/132055870.db2.gz JSGFPZOWGRRATI-UHFFFAOYSA-N 1 0 324.424 3.273 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000298575533 132068406 /nfs/dbraw/zinc/06/84/06/132068406.db2.gz RVNMDLOTNURJKD-CQSZACIVSA-N 1 0 323.440 3.488 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000089912292 401243198 /nfs/dbraw/zinc/24/31/98/401243198.db2.gz QZQTYCXXOIAZPS-SFHVURJKSA-N 1 0 324.424 3.015 20 10 DGCDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273486764 298466569 /nfs/dbraw/zinc/46/65/69/298466569.db2.gz NHVYBQDZANUGEQ-ZNLKAECVSA-N 1 0 309.475 3.079 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(Br)cc1O ZINC000381433292 685157711 /nfs/dbraw/zinc/15/77/11/685157711.db2.gz BZEUXDDGOLEIIV-PSASIEDQSA-N 1 0 302.237 3.311 20 10 DGCDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccccc1O ZINC000127186135 227002198 /nfs/dbraw/zinc/00/21/98/227002198.db2.gz PRAIZRIPFIHWNC-AWEZNQCLSA-N 1 0 308.385 3.166 20 10 DGCDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000182089929 228366302 /nfs/dbraw/zinc/36/63/02/228366302.db2.gz ZAUYFVSHZDNXQX-ZDUSSCGKSA-N 1 0 319.836 3.234 20 10 DGCDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000183433368 228373573 /nfs/dbraw/zinc/37/35/73/228373573.db2.gz AMLSAXMKJYXMCG-CYBMUJFWSA-N 1 0 308.385 3.132 20 10 DGCDRO COc1cccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1O ZINC000271044381 274145517 /nfs/dbraw/zinc/14/55/17/274145517.db2.gz PDTIPXISIQKKLT-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1O ZINC000186442239 274145999 /nfs/dbraw/zinc/14/59/99/274145999.db2.gz XFAGKODFHNOKOV-LJQANCHMSA-N 1 0 311.381 3.032 20 10 DGCDRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1=O ZINC000186048170 275644236 /nfs/dbraw/zinc/64/42/36/275644236.db2.gz NINODEFMXMBVNH-DYVFJYSZSA-N 1 0 312.413 3.205 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1F ZINC000151454808 276883597 /nfs/dbraw/zinc/88/35/97/276883597.db2.gz XJDOHDAFZHKLAV-PBHICJAKSA-N 1 0 324.465 3.036 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c1 ZINC000186230552 277918041 /nfs/dbraw/zinc/91/80/41/277918041.db2.gz XEXBUMUVUQKTHV-HIFRSBDPSA-N 1 0 321.417 3.127 20 10 DGCDRO COc1cccc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c1O ZINC000093341906 278010999 /nfs/dbraw/zinc/01/09/99/278010999.db2.gz QFQCKUCJVSKQQW-IBGZPJMESA-N 1 0 313.397 3.148 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCOC1 ZINC000157497465 278266513 /nfs/dbraw/zinc/26/65/13/278266513.db2.gz OGBBHVMRNPCBHD-FUHWJXTLSA-N 1 0 302.462 3.438 20 10 DGCDRO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c(F)c1 ZINC000111235094 431200535 /nfs/dbraw/zinc/20/05/35/431200535.db2.gz MMHPMDKYABSAKN-CYBMUJFWSA-N 1 0 316.376 3.299 20 10 DGCDRO Cc1noc(C2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000068966720 431153819 /nfs/dbraw/zinc/15/38/19/431153819.db2.gz VPTONVJGMPVZOR-UHFFFAOYSA-N 1 0 301.390 3.080 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000112536849 431282077 /nfs/dbraw/zinc/28/20/77/431282077.db2.gz XCHZQODFEIIBPO-JKSUJKDBSA-N 1 0 311.429 3.330 20 10 DGCDRO CCOc1cccc(C[NH2+]CCc2ccc(OC)cc2)c1O ZINC000074314524 431413704 /nfs/dbraw/zinc/41/37/04/431413704.db2.gz UOYQCCNFMFBWNU-UHFFFAOYSA-N 1 0 301.386 3.132 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000279772507 279968883 /nfs/dbraw/zinc/96/88/83/279968883.db2.gz AKKOPAVPISRSKU-AAEUAGOBSA-N 1 0 316.367 3.429 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3cc(F)ccc3C2)cc1OC ZINC000119034053 431636472 /nfs/dbraw/zinc/63/64/72/431636472.db2.gz OZSQNEFFOMLGOU-UHFFFAOYSA-N 1 0 317.360 3.107 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)C(C)C)c1cc(Br)ccc1O ZINC000119220984 431661523 /nfs/dbraw/zinc/66/15/23/431661523.db2.gz HTLSLIHKYOKELC-OCCSQVGLSA-N 1 0 316.239 3.212 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000093691083 431917715 /nfs/dbraw/zinc/91/77/15/431917715.db2.gz BQQXBWSHEHYEHE-HNNXBMFYSA-N 1 0 304.777 3.094 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1 ZINC000090802149 431895563 /nfs/dbraw/zinc/89/55/63/431895563.db2.gz PMPCZLFWXMCKFL-PKOBYXMFSA-N 1 0 324.472 3.467 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)cc1 ZINC000090852483 431896355 /nfs/dbraw/zinc/89/63/55/431896355.db2.gz MNLCQKVTQOQWHB-HNNXBMFYSA-N 1 0 312.461 3.455 20 10 DGCDRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000162860974 281355744 /nfs/dbraw/zinc/35/57/44/281355744.db2.gz HVINVHLMRQQWPS-CWEQDWBBSA-N 1 0 322.518 3.483 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1ccccc1O ZINC000183316720 432282532 /nfs/dbraw/zinc/28/25/32/432282532.db2.gz NZTQYPITDRMZCS-RHSMWYFYSA-N 1 0 312.413 3.138 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cnn(C)c2C)c1O ZINC000183360865 432286750 /nfs/dbraw/zinc/28/67/50/432286750.db2.gz WPPYGIZSXYANFK-SECBINFHSA-N 1 0 321.808 3.141 20 10 DGCDRO CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1ccccc1O)CC(C)C ZINC000183401314 432289767 /nfs/dbraw/zinc/28/97/67/432289767.db2.gz FXDTXTDKCHUVSC-KBPBESRZSA-N 1 0 308.422 3.204 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)Cc1cn2ccccc2n1 ZINC000102896934 432000323 /nfs/dbraw/zinc/00/03/23/432000323.db2.gz JPHUPPGHYLQUQQ-UHFFFAOYSA-N 1 0 323.396 3.021 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(C2OCCO2)CC1 ZINC000152280940 432321045 /nfs/dbraw/zinc/32/10/45/432321045.db2.gz NSZTVZWNKXHCED-UHFFFAOYSA-N 1 0 313.397 3.130 20 10 DGCDRO Cc1cc(Br)cc(C[N@H+](C)Cc2ccncc2)c1O ZINC000183737234 432321257 /nfs/dbraw/zinc/32/12/57/432321257.db2.gz HYYINOWWDFDQEM-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO CCC[N@H+](Cc1cccc(OC)c1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271214396 432355054 /nfs/dbraw/zinc/35/50/54/432355054.db2.gz WGKBRNBHSLDTCJ-OLMNPRSZSA-N 1 0 319.445 3.426 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)c1 ZINC000271058918 432324706 /nfs/dbraw/zinc/32/47/06/432324706.db2.gz BPJVFPSJFTZCNP-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271411566 432391649 /nfs/dbraw/zinc/39/16/49/432391649.db2.gz AFWCSECCLURPDX-FZKQIMNGSA-N 1 0 302.393 3.276 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CCO)c2ccco2)cc1 ZINC000184520055 432400037 /nfs/dbraw/zinc/40/00/37/432400037.db2.gz IYHPROGWTBXPRO-QGZVFWFLSA-N 1 0 302.418 3.339 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](C)CCc2ccco2)cc1OC ZINC000271912496 432428703 /nfs/dbraw/zinc/42/87/03/432428703.db2.gz MPHMOJCFAMCGDS-GFCCVEGCSA-N 1 0 305.374 3.113 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2([C@H](O)C(C)C)CC2)ccc1OC ZINC000272107437 432446899 /nfs/dbraw/zinc/44/68/99/432446899.db2.gz WYZDLMKFEALJTH-GOSISDBHSA-N 1 0 321.461 3.118 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000184953870 432448914 /nfs/dbraw/zinc/44/89/14/432448914.db2.gz WBXWTICQGXFWJV-OAHLLOKOSA-N 1 0 322.412 3.191 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccccc1O ZINC000271689733 432422993 /nfs/dbraw/zinc/42/29/93/432422993.db2.gz KAPLHWMKPCLYFM-AEFFLSMTSA-N 1 0 301.386 3.175 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000271734299 432423122 /nfs/dbraw/zinc/42/31/22/432423122.db2.gz OCQINZMNEGMYJD-IBGZPJMESA-N 1 0 313.397 3.147 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000271826991 432426595 /nfs/dbraw/zinc/42/65/95/432426595.db2.gz OBCFBGVAXAQNGA-HNNXBMFYSA-N 1 0 313.401 3.341 20 10 DGCDRO CC(=O)N1CC[N@H+](Cc2cccc(C)c2O)CC12CCCCC2 ZINC000271869879 432427164 /nfs/dbraw/zinc/42/71/64/432427164.db2.gz RWCVWWXKVLNUGT-UHFFFAOYSA-N 1 0 316.445 3.068 20 10 DGCDRO COC[C@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185148406 432471029 /nfs/dbraw/zinc/47/10/29/432471029.db2.gz PQKDAEMJLVZWSY-NXEZZACHSA-N 1 0 302.212 3.088 20 10 DGCDRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1O ZINC000185291694 432487060 /nfs/dbraw/zinc/48/70/60/432487060.db2.gz GZCLXPIGDLUXTR-JTQLQIEISA-N 1 0 320.330 3.209 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1C ZINC000176124281 432494448 /nfs/dbraw/zinc/49/44/48/432494448.db2.gz SNGHTBOUUAZGOO-QFIPXVFZSA-N 1 0 317.454 3.378 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185419574 432499223 /nfs/dbraw/zinc/49/92/23/432499223.db2.gz PIFMQCNOBZFKFB-UGSOOPFHSA-N 1 0 301.386 3.093 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(F)ccc1O ZINC000185526338 432508461 /nfs/dbraw/zinc/50/84/61/432508461.db2.gz PRBKLIVASOGXTL-DZGCQCFKSA-N 1 0 303.377 3.348 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1 ZINC000185046132 432460263 /nfs/dbraw/zinc/46/02/63/432460263.db2.gz SVABRTOOKGPXJV-CYBMUJFWSA-N 1 0 316.401 3.434 20 10 DGCDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1cc(Cl)ccc1O ZINC000185052202 432461149 /nfs/dbraw/zinc/46/11/49/432461149.db2.gz BOSURPVZOCCYJR-NSHDSACASA-N 1 0 311.809 3.382 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)c(O)c1 ZINC000185091186 432464977 /nfs/dbraw/zinc/46/49/77/432464977.db2.gz UMPGZTZEARVSIM-AWEZNQCLSA-N 1 0 304.434 3.190 20 10 DGCDRO C[C@H]([NH2+]Cc1nccs1)c1cc(Br)ccc1O ZINC000185087435 432465941 /nfs/dbraw/zinc/46/59/41/432465941.db2.gz PVELOZIECHELDC-QMMMGPOBSA-N 1 0 313.220 3.462 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1cc(F)ccc1O ZINC000185105686 432466835 /nfs/dbraw/zinc/46/68/35/432466835.db2.gz PRHOVNCVRMMISX-GFCCVEGCSA-N 1 0 320.433 3.302 20 10 DGCDRO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000155328994 432550224 /nfs/dbraw/zinc/55/02/24/432550224.db2.gz LDCHIDWKEYUXAS-AEFFLSMTSA-N 1 0 320.477 3.379 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000186034596 432554652 /nfs/dbraw/zinc/55/46/52/432554652.db2.gz OKPUNASCMZQKHG-DYVFJYSZSA-N 1 0 301.386 3.439 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000186034616 432554797 /nfs/dbraw/zinc/55/47/97/432554797.db2.gz OKPUNASCMZQKHG-SUMWQHHRSA-N 1 0 301.386 3.439 20 10 DGCDRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(Cl)ccc1O ZINC000186091521 432558062 /nfs/dbraw/zinc/55/80/62/432558062.db2.gz QKYKUFKIIDYWTH-LLVKDONJSA-N 1 0 310.825 3.003 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C1CC1 ZINC000186154098 432563646 /nfs/dbraw/zinc/56/36/46/432563646.db2.gz UVYCIOVJXFCQDH-NOZJJQNGSA-N 1 0 314.223 3.230 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000185649002 432517955 /nfs/dbraw/zinc/51/79/55/432517955.db2.gz JACKRSQHVOGQIU-CQSZACIVSA-N 1 0 318.461 3.458 20 10 DGCDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185827282 432536448 /nfs/dbraw/zinc/53/64/48/432536448.db2.gz OAIAEYVYEDYWBO-SJKOYZFVSA-N 1 0 319.376 3.314 20 10 DGCDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273301163 432580635 /nfs/dbraw/zinc/58/06/35/432580635.db2.gz BNHIOTSIZWRLKU-QWRGUYRKSA-N 1 0 324.222 3.091 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186439037 432596126 /nfs/dbraw/zinc/59/61/26/432596126.db2.gz SXEIFDIATZDVOM-IBGZPJMESA-N 1 0 311.381 3.032 20 10 DGCDRO CC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187308707 432658131 /nfs/dbraw/zinc/65/81/31/432658131.db2.gz PKLIZWJANLRICO-JQWIXIFHSA-N 1 0 316.239 3.275 20 10 DGCDRO CCC[C@@H](CCO)C[NH2+]Cc1cc(Br)ccc1O ZINC000231381494 432733301 /nfs/dbraw/zinc/73/33/01/432733301.db2.gz LYERCYVZUWBDFN-NSHDSACASA-N 1 0 316.239 3.043 20 10 DGCDRO CCC(CC)[C@@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000162217738 432817070 /nfs/dbraw/zinc/81/70/70/432817070.db2.gz FNOBRIIMNFODNP-IBGZPJMESA-N 1 0 320.477 3.051 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC000276931297 432827740 /nfs/dbraw/zinc/82/77/40/432827740.db2.gz MLDAXXZNUNCJMB-ZDUSSCGKSA-N 1 0 308.422 3.012 20 10 DGCDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000268408187 432869783 /nfs/dbraw/zinc/86/97/83/432869783.db2.gz GMIGBLMRJGAGBC-PEBXRYMYSA-N 1 0 317.454 3.306 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)CCC1 ZINC000277384606 432844295 /nfs/dbraw/zinc/84/42/95/432844295.db2.gz XUEZBCLSNJDFSI-QGZVFWFLSA-N 1 0 317.477 3.100 20 10 DGCDRO CC[C@@H](C)c1nnc([C@@H](C)NCc2ccc3c(c2)CCO3)[nH]1 ZINC000277458755 432851556 /nfs/dbraw/zinc/85/15/56/432851556.db2.gz QBZNKBCFLKRHBP-VXGBXAGGSA-N 1 0 300.406 3.104 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(N2CCCCC2)cc1 ZINC000296590644 432922785 /nfs/dbraw/zinc/92/27/85/432922785.db2.gz UZKYCWNSJYBBQX-NUJGCVRESA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(N2CCCCC2)cc1 ZINC000296590639 432922927 /nfs/dbraw/zinc/92/29/27/432922927.db2.gz UZKYCWNSJYBBQX-JZXOWHBKSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000296631622 432923777 /nfs/dbraw/zinc/92/37/77/432923777.db2.gz BKGKROMZOPLFJZ-QWRGUYRKSA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000296631615 432924278 /nfs/dbraw/zinc/92/42/78/432924278.db2.gz BKGKROMZOPLFJZ-MNOVXSKESA-N 1 0 316.239 3.214 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)CC2 ZINC000296883264 432934199 /nfs/dbraw/zinc/93/41/99/432934199.db2.gz OFXLXUWDLKAWPN-GOEBONIOSA-N 1 0 321.779 3.495 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C1CCN(c3nccs3)CC1)CC2 ZINC000296372253 432901273 /nfs/dbraw/zinc/90/12/73/432901273.db2.gz IUGLDVXTDMDXDP-CQSZACIVSA-N 1 0 315.442 3.095 20 10 DGCDRO CC(C)(C)OCc1cc(CN[C@H]2CCc3cccc(O)c32)no1 ZINC000296383261 432902621 /nfs/dbraw/zinc/90/26/21/432902621.db2.gz JHVGVMXJKAKOAW-HNNXBMFYSA-N 1 0 316.401 3.472 20 10 DGCDRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccccc3O)n2)c1 ZINC000279416886 432967465 /nfs/dbraw/zinc/96/74/65/432967465.db2.gz FJOFVZLTFRKAJM-QWHCGFSZSA-N 1 0 323.400 3.293 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c(O)c1 ZINC000297250531 432980633 /nfs/dbraw/zinc/98/06/33/432980633.db2.gz JFUXZUCXEZRODB-BBRMVZONSA-N 1 0 303.377 3.094 20 10 DGCDRO CCC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](O)c1ccccc1 ZINC000279635318 432989906 /nfs/dbraw/zinc/98/99/06/432989906.db2.gz IPONGNXJFLOLFD-PKOBYXMFSA-N 1 0 315.413 3.393 20 10 DGCDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297646292 433001602 /nfs/dbraw/zinc/00/16/02/433001602.db2.gz JZPMKBVTPDJZMT-ZDUSSCGKSA-N 1 0 320.433 3.272 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)cc1OC ZINC000290185642 433008743 /nfs/dbraw/zinc/00/87/43/433008743.db2.gz ODYIWZRXDVANIR-VOJFVSQTSA-N 1 0 315.369 3.021 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)[C@]12CCCO2 ZINC000280218769 433016790 /nfs/dbraw/zinc/01/67/90/433016790.db2.gz UNXYJVGNBBHVAU-GDAAHCPNSA-N 1 0 319.445 3.468 20 10 DGCDRO CC[C@H]([NH2+]C1CCC(C(=O)NC)CC1)c1ccc(C)cc1O ZINC000280258233 433024246 /nfs/dbraw/zinc/02/42/46/433024246.db2.gz XBZUWEGJJWXICM-XUJLQICISA-N 1 0 304.434 3.046 20 10 DGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1cc(Cl)ccc1O ZINC000290399548 433047038 /nfs/dbraw/zinc/04/70/38/433047038.db2.gz SUDFHXRVUYSZDA-RMLVOYDJSA-N 1 0 319.788 3.191 20 10 DGCDRO CN(C)C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(F)cc1 ZINC000290466236 433059666 /nfs/dbraw/zinc/05/96/66/433059666.db2.gz NFVVICNCAQOMIF-MRXNPFEDSA-N 1 0 306.356 3.063 20 10 DGCDRO CCCOc1ccc(C[N@H+](C)CCCn2ccnc2C)c(O)c1 ZINC000290507764 433069571 /nfs/dbraw/zinc/06/95/71/433069571.db2.gz PKFNRPHMQNAFMQ-UHFFFAOYSA-N 1 0 317.433 3.208 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000374499235 433204072 /nfs/dbraw/zinc/20/40/72/433204072.db2.gz ZHSUYFKNINFFHN-IEZWGBDMSA-N 1 0 318.461 3.131 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c1O ZINC000290913340 433205349 /nfs/dbraw/zinc/20/53/49/433205349.db2.gz NEMFXVNZGKKPKX-CQSZACIVSA-N 1 0 321.808 3.006 20 10 DGCDRO Oc1ccccc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000291016599 433215569 /nfs/dbraw/zinc/21/55/69/433215569.db2.gz FZBVEFIDNBPNFC-CQSZACIVSA-N 1 0 300.377 3.147 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)cc1 ZINC000280907963 433221758 /nfs/dbraw/zinc/22/17/58/433221758.db2.gz CTUYIMVSFZOBPN-QKKBWIMNSA-N 1 0 308.491 3.095 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000281253039 433275511 /nfs/dbraw/zinc/27/55/11/433275511.db2.gz MRBCGYNUEIKKFH-INIZCTEOSA-N 1 0 315.417 3.252 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000281575810 433312464 /nfs/dbraw/zinc/31/24/64/433312464.db2.gz CWESIHPTQDEOSA-IINYFYTJSA-N 1 0 311.809 3.248 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1ccc(C)cc1O ZINC000375647662 433518114 /nfs/dbraw/zinc/51/81/14/433518114.db2.gz FKQXDQAUKITCCJ-DOTOQJQBSA-N 1 0 311.429 3.397 20 10 DGCDRO CC[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(C)cc1O ZINC000282902599 433640627 /nfs/dbraw/zinc/64/06/27/433640627.db2.gz WUIORZFRLINYIJ-AWEZNQCLSA-N 1 0 302.422 3.288 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282954485 433642254 /nfs/dbraw/zinc/64/22/54/433642254.db2.gz ZITNCIJWLRFBKS-SUMWQHHRSA-N 1 0 305.418 3.401 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282954483 433644155 /nfs/dbraw/zinc/64/41/55/433644155.db2.gz ZITNCIJWLRFBKS-GUYCJALGSA-N 1 0 305.418 3.401 20 10 DGCDRO CCCC[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccccc1O ZINC000282435160 433605738 /nfs/dbraw/zinc/60/57/38/433605738.db2.gz KLJWFHIHYCUQKD-UHFFFAOYSA-N 1 0 312.413 3.293 20 10 DGCDRO CC(C)SCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000283268372 433702074 /nfs/dbraw/zinc/70/20/74/433702074.db2.gz WNCWRAODBNDHPH-OAHLLOKOSA-N 1 0 308.491 3.315 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)CC(C)(C)C)CC2)cc1 ZINC000362638192 433801042 /nfs/dbraw/zinc/80/10/42/433801042.db2.gz SFPDBPASBGTBSN-MRXNPFEDSA-N 1 0 320.477 3.051 20 10 DGCDRO COCC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCOCC1 ZINC000293657307 433818314 /nfs/dbraw/zinc/81/83/14/433818314.db2.gz LROSKWNIGRFPMW-LBPRGKRZSA-N 1 0 313.825 3.139 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000293700198 433834663 /nfs/dbraw/zinc/83/46/63/433834663.db2.gz LZBRVRQGFTYYSA-ZBFHGGJFSA-N 1 0 306.450 3.294 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1N(C)C ZINC000293815586 433878660 /nfs/dbraw/zinc/87/86/60/433878660.db2.gz ONVSRODZTSLWJH-KXBFYZLASA-N 1 0 312.461 3.341 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c(O)c1 ZINC000293812322 433878984 /nfs/dbraw/zinc/87/89/84/433878984.db2.gz RRFWDDVMPPKTDA-HNNXBMFYSA-N 1 0 318.461 3.308 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](Cc2ccccc2)OC)c1 ZINC000294715937 434130136 /nfs/dbraw/zinc/13/01/36/434130136.db2.gz FAXYHOVQYQINGA-WMLDXEAASA-N 1 0 315.413 3.309 20 10 DGCDRO Oc1ccccc1C[N@H+](CC1CC(F)(F)C1)C[C@@H]1CCCO1 ZINC000294877858 434148627 /nfs/dbraw/zinc/14/86/27/434148627.db2.gz FRJVIPPAVDFANL-HNNXBMFYSA-N 1 0 311.372 3.419 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1 ZINC000363853942 434170561 /nfs/dbraw/zinc/17/05/61/434170561.db2.gz LFFDFASGSTXYKI-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)c1O ZINC000295123952 434213095 /nfs/dbraw/zinc/21/30/95/434213095.db2.gz NRAYTYKDHIZYJH-CQSZACIVSA-N 1 0 322.449 3.484 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)CCCCO)c1O ZINC000295121311 434214893 /nfs/dbraw/zinc/21/48/93/434214893.db2.gz WOTTXBRPWCUIHG-NSHDSACASA-N 1 0 316.239 3.104 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000365256603 434296988 /nfs/dbraw/zinc/29/69/88/434296988.db2.gz OHXMOZCFUNOOPX-UHFFFAOYSA-N 1 0 309.772 3.287 20 10 DGCDRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1O ZINC000287275627 434320329 /nfs/dbraw/zinc/32/03/29/434320329.db2.gz JGKXIEPPDUHYJE-LLVKDONJSA-N 1 0 324.222 3.092 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C1CCN(Cc3ccccn3)CC1)CC2 ZINC000295925918 434444278 /nfs/dbraw/zinc/44/42/78/434444278.db2.gz JXXPINPJXLTBRL-GOSISDBHSA-N 1 0 323.440 3.029 20 10 DGCDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000295859856 434441147 /nfs/dbraw/zinc/44/11/47/434441147.db2.gz BKIGBWSWOSTGKW-MNOVXSKESA-N 1 0 316.239 3.214 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCN(c3ccccc3)C1)CC2 ZINC000295989336 434466146 /nfs/dbraw/zinc/46/61/46/434466146.db2.gz NPYWSVLNKVUKAC-MAUKXSAKSA-N 1 0 308.425 3.496 20 10 DGCDRO Cc1nc2ccccc2n1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296126438 434515809 /nfs/dbraw/zinc/51/58/09/434515809.db2.gz VOXURFMGPSPXPE-INIZCTEOSA-N 1 0 307.397 3.327 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@@H]2c2nccs2)cc1OC ZINC000360776311 434691032 /nfs/dbraw/zinc/69/10/32/434691032.db2.gz CPAPORGAXFWXRF-GFCCVEGCSA-N 1 0 320.414 3.203 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000371869687 434763554 /nfs/dbraw/zinc/76/35/54/434763554.db2.gz JVXDHMHAIJTRGN-KZULUSFZSA-N 1 0 301.361 3.496 20 10 DGCDRO COC1([C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)CCOCC1 ZINC000453208621 434830073 /nfs/dbraw/zinc/83/00/73/434830073.db2.gz CLDMGVBEUYAXAN-OAHLLOKOSA-N 1 0 316.445 3.160 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1C ZINC000529665156 435039301 /nfs/dbraw/zinc/03/93/01/435039301.db2.gz KUCPYEPUKNLJQW-UHFFFAOYSA-N 1 0 309.413 3.235 20 10 DGCDRO O=C1CC[C@@H]2CN(Cc3cccc4c3CC[NH2+]C4)c3cccc1c32 ZINC000662279244 436320765 /nfs/dbraw/zinc/32/07/65/436320765.db2.gz IBUUKCDIOAQKNA-MRXNPFEDSA-N 1 0 318.420 3.413 20 10 DGCDRO O=C1CC[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)c3cccc1c32 ZINC000662279241 436322478 /nfs/dbraw/zinc/32/24/78/436322478.db2.gz IBUUKCDIOAQKNA-INIZCTEOSA-N 1 0 318.420 3.413 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cc(Br)ccc1O ZINC000296421353 335144561 /nfs/dbraw/zinc/14/45/61/335144561.db2.gz LJUOFTDGRIEKLB-VHSXEESVSA-N 1 0 316.239 3.355 20 10 DGCDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000296421357 335144602 /nfs/dbraw/zinc/14/46/02/335144602.db2.gz LJUOFTDGRIEKLB-ZJUUUORDSA-N 1 0 316.239 3.355 20 10 DGCDRO COc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)cn1 ZINC000527840529 337767948 /nfs/dbraw/zinc/76/79/48/337767948.db2.gz GYKSAJIYYWVEJJ-IBGZPJMESA-N 1 0 310.397 3.266 20 10 DGCDRO CCc1nc(C)c(C[NH2+]Cc2cc(Cl)cc(OC)c2O)o1 ZINC000292865247 500610145 /nfs/dbraw/zinc/61/01/45/500610145.db2.gz VSNOTCLCYSNPIP-UHFFFAOYSA-N 1 0 310.781 3.203 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc2ccccc2c1O ZINC000185638816 533893371 /nfs/dbraw/zinc/89/33/71/533893371.db2.gz ZVLJLEAKPVHWOJ-SJCJKPOMSA-N 1 0 303.427 3.064 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000179502189 534194297 /nfs/dbraw/zinc/19/42/97/534194297.db2.gz SFVJSNAPRCUHBV-UHFFFAOYSA-N 1 0 323.396 3.164 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000129711943 534204458 /nfs/dbraw/zinc/20/44/58/534204458.db2.gz IBTPUWLGTKQFLB-LBPRGKRZSA-N 1 0 316.357 3.202 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000368653159 534204767 /nfs/dbraw/zinc/20/47/67/534204767.db2.gz QCJRPDPVRNILDF-RZAIGCCYSA-N 1 0 305.418 3.257 20 10 DGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000163469901 518840632 /nfs/dbraw/zinc/84/06/32/518840632.db2.gz BDHGJMAOXXKTBW-GJZGRUSLSA-N 1 0 320.433 3.318 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)c(O)c1 ZINC000236817830 520367041 /nfs/dbraw/zinc/36/70/41/520367041.db2.gz JBESSKCRVFSINS-LJQANCHMSA-N 1 0 315.413 3.313 20 10 DGCDRO CC1(CO)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000184074084 520743975 /nfs/dbraw/zinc/74/39/75/520743975.db2.gz IDEDFLGIGAFZIC-UHFFFAOYSA-N 1 0 302.462 3.271 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000265227247 520911005 /nfs/dbraw/zinc/91/10/05/520911005.db2.gz IJKYADXDNPFWMR-LJQANCHMSA-N 1 0 316.420 3.495 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000237048498 521150306 /nfs/dbraw/zinc/15/03/06/521150306.db2.gz SQYNXTXRLXNDGJ-KRWDZBQOSA-N 1 0 321.804 3.268 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000367597410 521150970 /nfs/dbraw/zinc/15/09/70/521150970.db2.gz NDMDEHSDTPOUCB-UHFFFAOYSA-N 1 0 312.413 3.397 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000236732448 521687919 /nfs/dbraw/zinc/68/79/19/521687919.db2.gz HXDBBHKQTRNJGP-KRWDZBQOSA-N 1 0 312.413 3.221 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccccc1 ZINC000181702615 522362500 /nfs/dbraw/zinc/36/25/00/522362500.db2.gz NWYGZVBZJCOUFY-QGZVFWFLSA-N 1 0 317.360 3.211 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C1CC1 ZINC000186154079 522374391 /nfs/dbraw/zinc/37/43/91/522374391.db2.gz UVYCIOVJXFCQDH-TVQRCGJNSA-N 1 0 314.223 3.230 20 10 DGCDRO CC[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 ZINC000161771503 522808343 /nfs/dbraw/zinc/80/83/43/522808343.db2.gz CCAGNMLCGXPNHB-GOSISDBHSA-N 1 0 318.461 3.479 20 10 DGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000191651404 523445594 /nfs/dbraw/zinc/44/55/94/523445594.db2.gz SQDHVNMUEZVCEK-GUBZILKMSA-N 1 0 302.212 3.229 20 10 DGCDRO Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000182124077 524431035 /nfs/dbraw/zinc/43/10/35/524431035.db2.gz XYKOKENHAXPKCS-UHFFFAOYSA-N 1 0 324.424 3.095 20 10 DGCDRO Cc1cccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1O ZINC000182254673 524433889 /nfs/dbraw/zinc/43/38/89/524433889.db2.gz QPBDCXLQZVLIHZ-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2cccn2C)c1 ZINC000180638367 524737581 /nfs/dbraw/zinc/73/75/81/524737581.db2.gz KURJHDXNHVEZOG-QGZVFWFLSA-N 1 0 300.402 3.467 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)c1 ZINC000182324598 524771059 /nfs/dbraw/zinc/77/10/59/524771059.db2.gz VUIBCCZHEGMWLE-SCLBCKFNSA-N 1 0 301.386 3.093 20 10 DGCDRO C[C@H]([NH2+]CCCn1ccnc1)c1cc(Br)ccc1O ZINC000181006832 525345954 /nfs/dbraw/zinc/34/59/54/525345954.db2.gz CEAJBCPEAFROMD-NSHDSACASA-N 1 0 324.222 3.092 20 10 DGCDRO COc1cccc(C[N@@H+]2CCCN(c3ccccc3)CC2)c1O ZINC000130774800 525937812 /nfs/dbraw/zinc/93/78/12/525937812.db2.gz AHNUECGEUURGNB-UHFFFAOYSA-N 1 0 312.413 3.113 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268998166 526431656 /nfs/dbraw/zinc/43/16/56/526431656.db2.gz YIKPVDRDMJGVLQ-QGZVFWFLSA-N 1 0 300.446 3.478 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273431067 535420167 /nfs/dbraw/zinc/42/01/67/535420167.db2.gz VQRJNMMBPGWVIE-OAHLLOKOSA-N 1 0 306.450 3.308 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H](O)c2ccccc2)c1 ZINC000289176337 535752414 /nfs/dbraw/zinc/75/24/14/535752414.db2.gz AAKHEHAIBZSIAO-GOSISDBHSA-N 1 0 301.386 3.004 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc2c(cc1O)CCCC2 ZINC000186115415 546193015 /nfs/dbraw/zinc/19/30/15/546193015.db2.gz XLIHAZALWYOMBT-LRDDRELGSA-N 1 0 311.429 3.202 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc2c(cc1O)CCCC2 ZINC000186115381 546193387 /nfs/dbraw/zinc/19/33/87/546193387.db2.gz XLIHAZALWYOMBT-BLLLJJGKSA-N 1 0 311.429 3.202 20 10 DGCDRO CCc1cccc(NC(=O)C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000732230921 574568878 /nfs/dbraw/zinc/56/88/78/574568878.db2.gz WEWWZVQDHSOTRJ-UHFFFAOYSA-N 1 0 312.413 3.294 20 10 DGCDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732285832 574570929 /nfs/dbraw/zinc/57/09/29/574570929.db2.gz JBSLWLZXWVSDTH-GFCCVEGCSA-N 1 0 318.442 3.313 20 10 DGCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2ccc(N(C)C)c(F)c2)C1 ZINC000733324568 574615913 /nfs/dbraw/zinc/61/59/13/574615913.db2.gz KVRFSIPJAOFXPR-HZPDHXFCSA-N 1 0 321.484 3.349 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000733329358 574616224 /nfs/dbraw/zinc/61/62/24/574616224.db2.gz RGNWIYKHBKCEKH-HNNXBMFYSA-N 1 0 316.367 3.344 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)c1O ZINC000733900870 574641920 /nfs/dbraw/zinc/64/19/20/574641920.db2.gz NTKRFINYYKTXTM-UHFFFAOYSA-N 1 0 323.396 3.389 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)cc1C ZINC000734004199 574646297 /nfs/dbraw/zinc/64/62/97/574646297.db2.gz UTXYHXKCEONWCD-GOSISDBHSA-N 1 0 321.367 3.279 20 10 DGCDRO COc1cccc(C[NH2+]CC(C)(C)Oc2ccccc2)c1O ZINC000734160988 574653382 /nfs/dbraw/zinc/65/33/82/574653382.db2.gz JJOBCLCDKISLFK-UHFFFAOYSA-N 1 0 301.386 3.348 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000734508805 574665563 /nfs/dbraw/zinc/66/55/63/574665563.db2.gz JBSMEKKRHZBBKM-CQSZACIVSA-N 1 0 308.441 3.434 20 10 DGCDRO CSCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000736358066 574745592 /nfs/dbraw/zinc/74/55/92/574745592.db2.gz QKVIAEDXRCFUEZ-UHFFFAOYSA-N 1 0 323.462 3.428 20 10 DGCDRO CCC1(O)CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000742170830 574983792 /nfs/dbraw/zinc/98/37/92/574983792.db2.gz CXRBIMPFWKDGJR-UHFFFAOYSA-N 1 0 307.434 3.132 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)c2cnn(C)c2)cc1 ZINC000742374007 574993598 /nfs/dbraw/zinc/99/35/98/574993598.db2.gz OFSRMHVZFFNCOW-UHFFFAOYSA-N 1 0 300.450 3.291 20 10 DGCDRO C[C@@H](CCNC(=O)C1=CC(=O)CS1)[N@H+](C)Cc1ccccc1 ZINC000746693130 575470450 /nfs/dbraw/zinc/47/04/50/575470450.db2.gz BPJPYJWYFSFJIT-ZDUSSCGKSA-N 1 0 318.442 3.094 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000747827257 575544209 /nfs/dbraw/zinc/54/42/09/575544209.db2.gz NRBLAOYMANGHHD-HZPDHXFCSA-N 1 0 312.413 3.189 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)c2ccccn2)ccc1OC ZINC000747852849 575546050 /nfs/dbraw/zinc/54/60/50/575546050.db2.gz LBPSQPPRIMCIGP-AWEZNQCLSA-N 1 0 300.402 3.478 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCCN(C)C2=O)cc1 ZINC000748242482 575574718 /nfs/dbraw/zinc/57/47/18/575574718.db2.gz NIBWBANDWGWLSQ-SFHVURJKSA-N 1 0 317.477 3.023 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCOc1ccc(F)cc1F ZINC000749119608 575628084 /nfs/dbraw/zinc/62/80/84/575628084.db2.gz TUQHYGZTKVZPMV-UHFFFAOYSA-N 1 0 313.731 3.492 20 10 DGCDRO CCC[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1O ZINC000750875782 575757101 /nfs/dbraw/zinc/75/71/01/575757101.db2.gz XUUBSPGDALACDK-UHFFFAOYSA-N 1 0 316.376 3.382 20 10 DGCDRO CCC[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccccc1O ZINC000750875755 575757142 /nfs/dbraw/zinc/75/71/42/575757142.db2.gz WOVCVRKWHALITP-RDJZCZTQSA-N 1 0 318.461 3.299 20 10 DGCDRO COc1ccc(N(CCn2ccccc2=O)CC(C)C)cc1 ZINC000726185083 576010984 /nfs/dbraw/zinc/01/09/84/576010984.db2.gz HMBAQLIMCTUZNY-UHFFFAOYSA-N 1 0 300.402 3.020 20 10 DGCDRO CC1=CC[C@@](C)(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000852791549 620649171 /nfs/dbraw/zinc/64/91/71/620649171.db2.gz JBCABPGSXSKPGQ-PKOBYXMFSA-N 1 0 315.461 3.005 20 10 DGCDRO CC(C)[NH2+]CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000852797390 620649467 /nfs/dbraw/zinc/64/94/67/620649467.db2.gz QTPABVYKYXNNAO-UHFFFAOYSA-N 1 0 317.477 3.070 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1C[NH2+]C2 ZINC000852882634 620653883 /nfs/dbraw/zinc/65/38/83/620653883.db2.gz NJTDCOKMJFPURY-UHFFFAOYSA-N 1 0 323.440 3.018 20 10 DGCDRO CC(C)[N@H+](CC(=O)NC1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000917075322 620654922 /nfs/dbraw/zinc/65/49/22/620654922.db2.gz TVSANYZYXXUNEZ-UHFFFAOYSA-N 1 0 317.477 3.022 20 10 DGCDRO CC(C)[C@@H](CNCc1ccc2c(c1)CCO2)[NH+]1CCC(C)CC1 ZINC000917394710 620666983 /nfs/dbraw/zinc/66/69/83/620666983.db2.gz PGOCVPSQBAGRLA-LJQANCHMSA-N 1 0 316.489 3.468 20 10 DGCDRO CN1CC[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H](c2ccccc2)C1 ZINC000917462509 620669593 /nfs/dbraw/zinc/66/95/93/620669593.db2.gz HNFINSLSCYDJNK-HXUWFJFHSA-N 1 0 322.452 3.370 20 10 DGCDRO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000111236076 620685440 /nfs/dbraw/zinc/68/54/40/620685440.db2.gz ZVEGZZCDJARGLK-HNNXBMFYSA-N 1 0 312.413 3.468 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)[NH+](C)C ZINC000917930543 620688365 /nfs/dbraw/zinc/68/83/65/620688365.db2.gz UPYMOWMWDPIPJK-UHFFFAOYSA-N 1 0 319.474 3.226 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)c1O ZINC000853577860 620711960 /nfs/dbraw/zinc/71/19/60/620711960.db2.gz LUKJDRJJEZHAQR-AWEZNQCLSA-N 1 0 305.418 3.243 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CC1CCC1)[C@H](O)CO2 ZINC000853607793 620715586 /nfs/dbraw/zinc/71/55/86/620715586.db2.gz VXOSWQMKGYYXAY-CRAIPNDOSA-N 1 0 317.429 3.363 20 10 DGCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1CCc2ccccc21 ZINC000853611085 620715839 /nfs/dbraw/zinc/71/58/39/620715839.db2.gz WGZOBOBTMVYVDW-CQSZACIVSA-N 1 0 311.381 3.283 20 10 DGCDRO C[C@]1(C(F)F)C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000853634006 620717644 /nfs/dbraw/zinc/71/76/44/620717644.db2.gz ZUTBMNVVFYGGNT-QGZVFWFLSA-N 1 0 307.340 3.401 20 10 DGCDRO CC[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000154976219 620749357 /nfs/dbraw/zinc/74/93/57/620749357.db2.gz YKEAGHYJPYNDDQ-HLLBOEOZSA-N 1 0 320.477 3.321 20 10 DGCDRO COc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000891467353 617807964 /nfs/dbraw/zinc/80/79/64/617807964.db2.gz GYWGEXYKZMTBLN-OAHLLOKOSA-N 1 0 317.385 3.175 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2F)c(O)c1OC ZINC000891476217 617811845 /nfs/dbraw/zinc/81/18/45/617811845.db2.gz NKZNPTJTSUJICY-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO COc1ccc(C[N@H+](C)CCCc2ccccc2)c(O)c1OC ZINC000891622597 617855189 /nfs/dbraw/zinc/85/51/89/617855189.db2.gz HKUSYJCWNVOYEN-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(C)s2)c(O)c1OC ZINC000891922582 617926910 /nfs/dbraw/zinc/92/69/10/617926910.db2.gz GBMWGIKYWKNBDS-UHFFFAOYSA-N 1 0 307.415 3.411 20 10 DGCDRO Cc1nn(C)c(C)c1CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840875599 618051289 /nfs/dbraw/zinc/05/12/89/618051289.db2.gz OVRMVGBDXWGAKZ-UHFFFAOYSA-N 1 0 307.825 3.037 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)c(O)c1OC ZINC000892473534 618075416 /nfs/dbraw/zinc/07/54/16/618075416.db2.gz NUXIUUDWKPULSY-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000840883418 618113560 /nfs/dbraw/zinc/11/35/60/618113560.db2.gz ZMZKWIIFEPGODK-YOEHRIQHSA-N 1 0 316.420 3.318 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2F)c(O)c1OC ZINC000892659741 618129275 /nfs/dbraw/zinc/12/92/75/618129275.db2.gz VNILFPSKBIHJTP-GFCCVEGCSA-N 1 0 319.376 3.269 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017201 620785533 /nfs/dbraw/zinc/78/55/33/620785533.db2.gz NYMJNZBFCOPNNC-QWHCGFSZSA-N 1 0 315.244 3.415 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)CC2 ZINC000854221939 620785775 /nfs/dbraw/zinc/78/57/75/620785775.db2.gz CCWNHRSHSBVMRG-FGTMMUONSA-N 1 0 308.425 3.115 20 10 DGCDRO C[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(N2CCCCCC2)cc1 ZINC000854227788 620786303 /nfs/dbraw/zinc/78/63/03/620786303.db2.gz QMQXLSOOKLVMOF-ZRZPHAQCSA-N 1 0 313.489 3.470 20 10 DGCDRO COc1ccc(CN[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000920182839 620789198 /nfs/dbraw/zinc/78/91/98/620789198.db2.gz ZOCPVMZPGRCLAU-UXLLHSPISA-N 1 0 304.478 3.460 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)c1O ZINC000894458405 618339650 /nfs/dbraw/zinc/33/96/50/618339650.db2.gz QNZDGMQHNWTHQL-NVXWUHKLSA-N 1 0 319.445 3.476 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)c(O)c1OC ZINC000892921476 618351038 /nfs/dbraw/zinc/35/10/38/618351038.db2.gz UAVMPNSUXWJGMC-HNNXBMFYSA-N 1 0 317.360 3.326 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1O ZINC000894502909 618359617 /nfs/dbraw/zinc/35/96/17/618359617.db2.gz CEVCGXHEBQDQTR-LJQANCHMSA-N 1 0 315.413 3.097 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](SC)C2)c(O)c1OC ZINC000892949702 618364865 /nfs/dbraw/zinc/36/48/65/618364865.db2.gz CANFCBCAKYTBBK-QWHCGFSZSA-N 1 0 311.447 3.173 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc3c(n2)CCCC3)c1O ZINC000894572582 618390507 /nfs/dbraw/zinc/39/05/07/618390507.db2.gz JSDQGCALETWEED-UHFFFAOYSA-N 1 0 312.413 3.273 20 10 DGCDRO COc1ccc(C[N@H+](C)CCc2ccccc2C)c(O)c1OC ZINC000894668786 618417599 /nfs/dbraw/zinc/41/75/99/618417599.db2.gz WSOUVULMTAIZKV-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)c(O)c1OC ZINC000893115052 618431465 /nfs/dbraw/zinc/43/14/65/618431465.db2.gz ZKXOOSOTBQEBAE-NSHDSACASA-N 1 0 301.333 3.077 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccccc2OCC(F)F)c1O ZINC000894766910 618452802 /nfs/dbraw/zinc/45/28/02/618452802.db2.gz WXBHHHDEPFURML-UHFFFAOYSA-N 1 0 323.339 3.335 20 10 DGCDRO CCn1cc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)c(C)n1 ZINC000894940596 618502031 /nfs/dbraw/zinc/50/20/31/618502031.db2.gz UIAGAPDRJNICBW-HNNXBMFYSA-N 1 0 314.477 3.307 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](C3CCCC3)C2)c(O)c1OC ZINC000894972830 618504077 /nfs/dbraw/zinc/50/40/77/618504077.db2.gz GGVMUXJVKCHGFN-AWEZNQCLSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c(O)c1OC ZINC000895029995 618516739 /nfs/dbraw/zinc/51/67/39/618516739.db2.gz DDGJKAYGQQHHFM-DZGCQCFKSA-N 1 0 305.418 3.468 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c(Cl)c1 ZINC000840905544 618516923 /nfs/dbraw/zinc/51/69/23/618516923.db2.gz ABEKSZHVNRKFRV-KRWDZBQOSA-N 1 0 323.795 3.490 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000840912369 618526220 /nfs/dbraw/zinc/52/62/20/618526220.db2.gz NXAVJZPETRRCQZ-LJQANCHMSA-N 1 0 301.478 3.121 20 10 DGCDRO Cc1ccc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c(O)c1 ZINC000895117157 618541612 /nfs/dbraw/zinc/54/16/12/618541612.db2.gz YGXBLLCFOHLRKS-QAQDUYKDSA-N 1 0 311.429 3.372 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(Cl)ccc2O)c1O ZINC000895139657 618550728 /nfs/dbraw/zinc/55/07/28/618550728.db2.gz HZRIHGOEFCNWGX-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCc2nc(C)ncc21 ZINC000840934818 618609706 /nfs/dbraw/zinc/60/97/06/618609706.db2.gz XZVUTCHLDKNCKN-SFHVURJKSA-N 1 0 310.445 3.327 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H](O)c1cccc(F)c1 ZINC000840935291 618609996 /nfs/dbraw/zinc/60/99/96/618609996.db2.gz KSKLCJGXTSSDSJ-AUUYWEPGSA-N 1 0 316.420 3.412 20 10 DGCDRO OC[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccc(F)cc1 ZINC000840963497 618640315 /nfs/dbraw/zinc/64/03/15/618640315.db2.gz OOFWPCNPYRBMGU-LBPRGKRZSA-N 1 0 309.768 3.050 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1O ZINC000894020550 618694127 /nfs/dbraw/zinc/69/41/27/618694127.db2.gz HJPYAYDNCQGDGE-AWEZNQCLSA-N 1 0 315.413 3.478 20 10 DGCDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000894016340 618695153 /nfs/dbraw/zinc/69/51/53/618695153.db2.gz BYSCDNOXSJLPPI-MRXNPFEDSA-N 1 0 307.434 3.490 20 10 DGCDRO C[NH+](C)CCCC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894058799 618702017 /nfs/dbraw/zinc/70/20/17/618702017.db2.gz YJGCUHCTZGNNKO-UHFFFAOYSA-N 1 0 312.404 3.224 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2cc(C)cc(OC)c2O)CCCCC1 ZINC000894139150 618718545 /nfs/dbraw/zinc/71/85/45/618718545.db2.gz BYKIWEXUKFIBOA-UHFFFAOYSA-N 1 0 321.417 3.065 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)c(O)c1 ZINC000894185236 618726038 /nfs/dbraw/zinc/72/60/38/618726038.db2.gz KKPMYPOEEJCEOH-WBVHZDCISA-N 1 0 319.445 3.476 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1O ZINC000894312608 618762083 /nfs/dbraw/zinc/76/20/83/618762083.db2.gz LXZSZCGUHJFOIW-IAOVAPTHSA-N 1 0 305.418 3.002 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894320706 618763925 /nfs/dbraw/zinc/76/39/25/618763925.db2.gz OJRJFRGCEVGJFN-KRWDZBQOSA-N 1 0 315.413 3.057 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1O ZINC000894375391 618774180 /nfs/dbraw/zinc/77/41/80/618774180.db2.gz KGRLFYJZQDNBOH-CVEARBPZSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c1O ZINC000895391258 618778114 /nfs/dbraw/zinc/77/81/14/618778114.db2.gz WIXBJPFYFNLEBR-KRWDZBQOSA-N 1 0 318.461 3.206 20 10 DGCDRO COc1cccc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c1O ZINC000895659153 618813406 /nfs/dbraw/zinc/81/34/06/618813406.db2.gz UBRYSRHFDOKVJI-QGZVFWFLSA-N 1 0 301.386 3.003 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000895685694 618818773 /nfs/dbraw/zinc/81/87/73/618818773.db2.gz NCOMFEFBQOZHQS-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000895716923 618822147 /nfs/dbraw/zinc/82/21/47/618822147.db2.gz NBCQQNKORNUIHA-MRXNPFEDSA-N 1 0 319.445 3.430 20 10 DGCDRO CCOc1ccc(O)c(CN2CCC(CC)([NH+]3CCC3)CC2)c1 ZINC000895827657 618834556 /nfs/dbraw/zinc/83/45/56/618834556.db2.gz OFCCRVZMNBFAHH-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000895842612 618837930 /nfs/dbraw/zinc/83/79/30/618837930.db2.gz ICZHRNQUDZEYTO-UJNJHQOQSA-N 1 0 300.446 3.267 20 10 DGCDRO CC(C)OC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000895829350 618838779 /nfs/dbraw/zinc/83/87/79/618838779.db2.gz RQGJRQBKLRQAGC-UHFFFAOYSA-N 1 0 322.424 3.055 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1F ZINC000895846417 618841043 /nfs/dbraw/zinc/84/10/43/618841043.db2.gz UBKFKXDIUAGFLR-SJCJKPOMSA-N 1 0 310.388 3.032 20 10 DGCDRO COc1ccc(CNc2ccc3c([nH+]2)CCCC3)c(O)c1OC ZINC000895944175 618853407 /nfs/dbraw/zinc/85/34/07/618853407.db2.gz QZVDQIMYVMFNHY-UHFFFAOYSA-N 1 0 314.385 3.295 20 10 DGCDRO COC1(OC)CC2(C[N@H+](Cc3cc(F)ccc3O)[C@@H]2C(C)C)C1 ZINC000895988487 618857988 /nfs/dbraw/zinc/85/79/88/618857988.db2.gz CJDZMVNKMDOFTL-MRXNPFEDSA-N 1 0 323.408 3.141 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896227021 618888418 /nfs/dbraw/zinc/88/84/18/618888418.db2.gz JYOFNLYMNNIZNU-ZDUSSCGKSA-N 1 0 319.298 3.267 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cc(N(C)C)ccn2)cc1Cl ZINC000896297922 618897787 /nfs/dbraw/zinc/89/77/87/618897787.db2.gz FJKWNKBNHZPOHW-UHFFFAOYSA-N 1 0 305.809 3.105 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896531006 618923086 /nfs/dbraw/zinc/92/30/86/618923086.db2.gz IEZITQXSERCHAZ-CYBMUJFWSA-N 1 0 318.442 3.312 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H](c2ccccn2)C2CC2)cc1OC ZINC000896613444 618933939 /nfs/dbraw/zinc/93/39/39/618933939.db2.gz XAXFNWITCPNIDO-GOSISDBHSA-N 1 0 314.385 3.045 20 10 DGCDRO CCc1cccc(CN[C@@H](CC[NH+](C)C)c2cccnc2)c1O ZINC000896717930 618949867 /nfs/dbraw/zinc/94/98/67/618949867.db2.gz YIXVKCSTKDXNDT-SFHVURJKSA-N 1 0 313.445 3.132 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000896811960 618963048 /nfs/dbraw/zinc/96/30/48/618963048.db2.gz QRKHRAJLMNJILW-DGCLKSJQSA-N 1 0 307.287 3.121 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000896821496 618965040 /nfs/dbraw/zinc/96/50/40/618965040.db2.gz FDQRTIYSHIKNDY-YPMHNXCESA-N 1 0 307.287 3.121 20 10 DGCDRO Cc1cccc2c1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000148122010 619000508 /nfs/dbraw/zinc/00/05/08/619000508.db2.gz WRNNOVSODKGQDB-UHFFFAOYSA-N 1 0 322.452 3.390 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC000897236237 619034480 /nfs/dbraw/zinc/03/44/80/619034480.db2.gz DRVUEBQFEKJZFN-SFHVURJKSA-N 1 0 301.361 3.327 20 10 DGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000840723016 619056543 /nfs/dbraw/zinc/05/65/43/619056543.db2.gz MVJUPBGPPCVRHO-HNNXBMFYSA-N 1 0 313.445 3.185 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000897469574 619131642 /nfs/dbraw/zinc/13/16/42/619131642.db2.gz MUMOKKZTCZNORB-GFCCVEGCSA-N 1 0 316.357 3.202 20 10 DGCDRO COc1ccc(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c(O)c1OC ZINC000897612205 619166497 /nfs/dbraw/zinc/16/64/97/619166497.db2.gz QWOUNIFQVLWZOM-JUIVLLAYSA-N 1 0 315.413 3.053 20 10 DGCDRO Nc1ccc(CC[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000841034543 619169544 /nfs/dbraw/zinc/16/95/44/619169544.db2.gz HJNSSRFLFNLZMS-UHFFFAOYSA-N 1 0 323.484 3.108 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1cncs1 ZINC000897934405 619194513 /nfs/dbraw/zinc/19/45/13/619194513.db2.gz IXPAXEOIVXEIOT-QMMMGPOBSA-N 1 0 313.220 3.462 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C2CC3(C2)COC(C)(C)C3)c1 ZINC000897973528 619196449 /nfs/dbraw/zinc/19/64/49/619196449.db2.gz UKPNPSCXMDOBHG-UHFFFAOYSA-N 1 0 305.418 3.228 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](c2ccncc2)C2CC2)cc1OC ZINC000898322822 619233678 /nfs/dbraw/zinc/23/36/78/619233678.db2.gz RYKNFGQELRGUCP-SFHVURJKSA-N 1 0 314.385 3.045 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cc(C)n(C)n2)cc1 ZINC000926914876 619248319 /nfs/dbraw/zinc/24/83/19/619248319.db2.gz MIYUVWNUTYUODO-HNNXBMFYSA-N 1 0 300.450 3.078 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1 ZINC000927072687 619262203 /nfs/dbraw/zinc/26/22/03/619262203.db2.gz YRHUTQRBJMLWNV-YVEFUNNKSA-N 1 0 303.406 3.182 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1Cl ZINC000898386094 619270062 /nfs/dbraw/zinc/27/00/62/619270062.db2.gz TVWXIOWMJKHHJH-NVXWUHKLSA-N 1 0 303.789 3.102 20 10 DGCDRO O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000898555465 619284968 /nfs/dbraw/zinc/28/49/68/619284968.db2.gz MKKVFTHBJIQJKI-NEWSRXKRSA-N 1 0 300.446 3.022 20 10 DGCDRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000899181594 619316216 /nfs/dbraw/zinc/31/62/16/619316216.db2.gz GQBAWBGSQKPUPY-POZUXBRTSA-N 1 0 324.424 3.262 20 10 DGCDRO CC[C@H]1c2ccccc2C[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902666453 619662526 /nfs/dbraw/zinc/66/25/26/619662526.db2.gz PYJODNOCLBSDGL-WMZOPIPTSA-N 1 0 311.381 3.285 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2COc3ccccc3C2)c1 ZINC000902868236 619684392 /nfs/dbraw/zinc/68/43/92/619684392.db2.gz JZLHXXHKDKBGKN-CJNGLKHVSA-N 1 0 313.397 3.130 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H]2COc3ccccc3C2)c1 ZINC000902868238 619684473 /nfs/dbraw/zinc/68/44/73/619684473.db2.gz JZLHXXHKDKBGKN-CZUORRHYSA-N 1 0 313.397 3.130 20 10 DGCDRO CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nncn1C ZINC000903067147 619709842 /nfs/dbraw/zinc/70/98/42/619709842.db2.gz ZAOMYFRKGIUWTM-XAGWURHQSA-N 1 0 318.396 3.195 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC000903174990 619730035 /nfs/dbraw/zinc/73/00/35/619730035.db2.gz BRECDKGGDNSCQR-LOWVWBTDSA-N 1 0 301.308 3.079 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c(O)c1 ZINC000903177890 619730503 /nfs/dbraw/zinc/73/05/03/619730503.db2.gz CBFZSBLVVRDHBP-WDMOLILDSA-N 1 0 303.324 3.461 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)ccc1O ZINC000903179555 619731059 /nfs/dbraw/zinc/73/10/59/619731059.db2.gz QHACUBDEGYBBHV-IYYTYJHQSA-N 1 0 307.287 3.292 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000903180303 619731257 /nfs/dbraw/zinc/73/12/57/619731257.db2.gz YWHRDTKWZKNJQU-COPLHBTASA-N 1 0 303.324 3.461 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(N(C)C)cc1 ZINC000903202052 619735786 /nfs/dbraw/zinc/73/57/86/619735786.db2.gz VEADLYPKMCICQT-LJQANCHMSA-N 1 0 312.461 3.455 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2nc3c(s2)CCC3)c1O ZINC000903191379 619737533 /nfs/dbraw/zinc/73/75/33/619737533.db2.gz VHRWFFVBUVLMDL-SNVBAGLBSA-N 1 0 304.415 3.197 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1ccc(C)cc1O ZINC000903269679 619749678 /nfs/dbraw/zinc/74/96/78/619749678.db2.gz AZEHAWCAFPAVOR-GVDBMIGSSA-N 1 0 320.502 3.321 20 10 DGCDRO C[C@H]([NH2+]CC1(C)CCC2(CC1)OCCO2)c1ccccc1O ZINC000903269049 619749685 /nfs/dbraw/zinc/74/96/85/619749685.db2.gz VVRDNOSSLIPZFG-AWEZNQCLSA-N 1 0 305.418 3.366 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(OC)CCSC2)cc1 ZINC000903309489 619757008 /nfs/dbraw/zinc/75/70/08/619757008.db2.gz FCSLMQQQTUDWDJ-YOEHRIQHSA-N 1 0 308.491 3.315 20 10 DGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1cc(F)ccc1O ZINC000903312277 619757923 /nfs/dbraw/zinc/75/79/23/619757923.db2.gz YKLMHLYYWIXEKK-DIFFPNOSSA-N 1 0 307.340 3.229 20 10 DGCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)CCSC1 ZINC000903314383 619758322 /nfs/dbraw/zinc/75/83/22/619758322.db2.gz MTEAMWQAPOSPSV-IINYFYTJSA-N 1 0 301.839 3.218 20 10 DGCDRO CO[C@@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCSC1 ZINC000903314187 619758515 /nfs/dbraw/zinc/75/85/15/619758515.db2.gz IJSSBCIRRKEVEN-IINYFYTJSA-N 1 0 301.839 3.218 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(C(F)(F)F)cc1O ZINC000903317396 619758718 /nfs/dbraw/zinc/75/87/18/619758718.db2.gz KFYCSRYBNRXHRZ-DGCLKSJQSA-N 1 0 302.340 3.156 20 10 DGCDRO CC[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccc(C)cc1O ZINC000903346908 619761272 /nfs/dbraw/zinc/76/12/72/619761272.db2.gz JMQDFICZIHNJQV-INIZCTEOSA-N 1 0 319.445 3.063 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(OC(C)C)CCOC2)c(O)c1 ZINC000903357015 619764434 /nfs/dbraw/zinc/76/44/34/619764434.db2.gz IYYYGAHXJYHJKO-MAUKXSAKSA-N 1 0 307.434 3.244 20 10 DGCDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1=O ZINC000903391923 619766565 /nfs/dbraw/zinc/76/65/65/619766565.db2.gz JGQUILAROOBZHZ-SUMWQHHRSA-N 1 0 312.413 3.207 20 10 DGCDRO C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1c(O)cccc1F ZINC000903379517 619768265 /nfs/dbraw/zinc/76/82/65/619768265.db2.gz XIZASDFQPBTWGG-CJNGLKHVSA-N 1 0 317.408 3.270 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCOC23CCOCC3)cc1 ZINC000903388724 619770523 /nfs/dbraw/zinc/77/05/23/619770523.db2.gz MTNXMRAAJVSMCD-MAUKXSAKSA-N 1 0 318.461 3.131 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CCO)cc2)c2c1c(F)ccc2O ZINC000903404252 619770932 /nfs/dbraw/zinc/77/09/32/619770932.db2.gz YZPGHRWSWOTEPB-BLLLJJGKSA-N 1 0 315.388 3.404 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)c2c1c(F)ccc2O ZINC000903441152 619775939 /nfs/dbraw/zinc/77/59/39/619775939.db2.gz YGNKJFQXSIWOHS-FFONGLNXSA-N 1 0 313.372 3.328 20 10 DGCDRO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1nccs1 ZINC000903447734 619778317 /nfs/dbraw/zinc/77/83/17/619778317.db2.gz BUDQXFCOXAWCEH-BBRMVZONSA-N 1 0 318.490 3.163 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1 ZINC000903449175 619778582 /nfs/dbraw/zinc/77/85/82/619778582.db2.gz WBJOCSGSIIRFKC-PBHICJAKSA-N 1 0 301.434 3.299 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1 ZINC000903449177 619778707 /nfs/dbraw/zinc/77/87/07/619778707.db2.gz WBJOCSGSIIRFKC-WMLDXEAASA-N 1 0 301.434 3.299 20 10 DGCDRO [NH3+][C@@H](CC(F)F)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000903903564 619831701 /nfs/dbraw/zinc/83/17/01/619831701.db2.gz VRLCGNGSPZKJSI-JTQLQIEISA-N 1 0 324.293 3.320 20 10 DGCDRO COc1cc(O)c(CNc2ccc(C(C)(C)[NH3+])cc2)cc1OC ZINC000904471031 619924652 /nfs/dbraw/zinc/92/46/52/619924652.db2.gz UYNBSFIBASDDCW-UHFFFAOYSA-N 1 0 316.401 3.215 20 10 DGCDRO CCn1cc[nH+]c1NCc1cc(Br)cc(F)c1O ZINC000905414402 619995731 /nfs/dbraw/zinc/99/57/31/619995731.db2.gz LRIGJEFYPQLKPR-UHFFFAOYSA-N 1 0 314.158 3.122 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccnn2C)c(C)n1-c1cccc(C)c1 ZINC000915228698 620575004 /nfs/dbraw/zinc/57/50/04/620575004.db2.gz TWHIXCZOGUVSHS-UHFFFAOYSA-N 1 0 308.429 3.426 20 10 DGCDRO COC[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000112962241 620867628 /nfs/dbraw/zinc/86/76/28/620867628.db2.gz UNTJWTOWHOGXDV-ZDUSSCGKSA-N 1 0 307.434 3.254 20 10 DGCDRO COc1ccc(OC)c(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921502066 620875431 /nfs/dbraw/zinc/87/54/31/620875431.db2.gz KCBYEQBYGXWUGW-UHFFFAOYSA-N 1 0 313.397 3.319 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCS1 ZINC000769446902 620885550 /nfs/dbraw/zinc/88/55/50/620885550.db2.gz QBEBGJANSMWEDO-LBPRGKRZSA-N 1 0 316.264 3.482 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)[C@H]2C)c1O ZINC000816648603 620891225 /nfs/dbraw/zinc/89/12/25/620891225.db2.gz MQFAVBZKJROALB-DTWKUNHWSA-N 1 0 300.196 3.004 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1O ZINC000816648605 620891469 /nfs/dbraw/zinc/89/14/69/620891469.db2.gz MQFAVBZKJROALB-RKDXNWHRSA-N 1 0 300.196 3.004 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1F ZINC000113317268 620900207 /nfs/dbraw/zinc/90/02/07/620900207.db2.gz SHKVOGQUEBATJJ-KRWDZBQOSA-N 1 0 322.811 3.368 20 10 DGCDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1c(O)cccc1Cl)C2 ZINC000113335058 620904371 /nfs/dbraw/zinc/90/43/71/620904371.db2.gz QIMVEOFXCUDSCM-LBPRGKRZSA-N 1 0 319.788 3.148 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000113321333 620904378 /nfs/dbraw/zinc/90/43/78/620904378.db2.gz DFOIKUYLPMEGRS-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO Oc1ccccc1C[NH2+]CCCOc1cccc2cccnc21 ZINC000113343049 620904849 /nfs/dbraw/zinc/90/48/49/620904849.db2.gz GUJFDCLYPRBYPG-UHFFFAOYSA-N 1 0 308.381 3.499 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@]1(O)CCCc2ccccc21 ZINC000113340299 620904886 /nfs/dbraw/zinc/90/48/86/620904886.db2.gz KTEAVQRZYIYETC-SFHVURJKSA-N 1 0 317.816 3.359 20 10 DGCDRO CC(C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccnn1C ZINC000788077454 620906274 /nfs/dbraw/zinc/90/62/74/620906274.db2.gz VIECIMMCVLQBNE-CQSZACIVSA-N 1 0 307.825 3.309 20 10 DGCDRO c1cc(OCC2CC2)ncc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921631781 620918728 /nfs/dbraw/zinc/91/87/28/620918728.db2.gz LIAXMFQOBWBIBQ-UHFFFAOYSA-N 1 0 324.424 3.485 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000921738877 620942318 /nfs/dbraw/zinc/94/23/18/620942318.db2.gz VRSSOBRPNVVUGO-GFCCVEGCSA-N 1 0 323.396 3.444 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)n1 ZINC000921756596 620945246 /nfs/dbraw/zinc/94/52/46/620945246.db2.gz YWDULCOLUQDBQZ-MELADBBJSA-N 1 0 312.504 3.420 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](O)c1cccc(F)c1 ZINC000921818119 620954865 /nfs/dbraw/zinc/95/48/65/620954865.db2.gz XQVGUZBRAIRZLR-BFUOFWGJSA-N 1 0 315.388 3.362 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](O)c1cccc(F)c1 ZINC000921818123 620955053 /nfs/dbraw/zinc/95/50/53/620955053.db2.gz XQVGUZBRAIRZLR-DJJJIMSYSA-N 1 0 315.388 3.362 20 10 DGCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(Cl)cc1 ZINC000921960334 620973303 /nfs/dbraw/zinc/97/33/03/620973303.db2.gz NKXXOHLAAPDYJE-KRWDZBQOSA-N 1 0 317.816 3.488 20 10 DGCDRO CO[C@@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000922042519 620983233 /nfs/dbraw/zinc/98/32/33/620983233.db2.gz UWBSDOOVSRCBCX-AWEZNQCLSA-N 1 0 303.324 3.069 20 10 DGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)c2c(c1)COCC2 ZINC000922309606 621020841 /nfs/dbraw/zinc/02/08/41/621020841.db2.gz WVNHAGILRNZHLI-UHFFFAOYSA-N 1 0 309.409 3.374 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000856813559 621025768 /nfs/dbraw/zinc/02/57/68/621025768.db2.gz XCLGPQOKTLGQCF-AWEZNQCLSA-N 1 0 322.449 3.402 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000922425740 621037646 /nfs/dbraw/zinc/03/76/46/621037646.db2.gz GJYPLUBHBFHKOZ-MJGOQNOKSA-N 1 0 300.446 3.193 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000114770724 621044614 /nfs/dbraw/zinc/04/46/14/621044614.db2.gz ZWABLLCCFOSIMK-OAHLLOKOSA-N 1 0 320.433 3.190 20 10 DGCDRO CN1C[C@H](CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000922488865 621045388 /nfs/dbraw/zinc/04/53/88/621045388.db2.gz LTZPNOCTLUXXTQ-OAHLLOKOSA-N 1 0 324.424 3.017 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000857060659 621053228 /nfs/dbraw/zinc/05/32/28/621053228.db2.gz CZMVEYTVGOSXPS-DZGCQCFKSA-N 1 0 321.461 3.149 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2c(C)cc(C)nc2OC)c1 ZINC000857069055 621054154 /nfs/dbraw/zinc/05/41/54/621054154.db2.gz NHOCQOWBBNRJJH-UHFFFAOYSA-N 1 0 316.401 3.053 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1O ZINC000922702744 621087670 /nfs/dbraw/zinc/08/76/70/621087670.db2.gz PZBLUKWLPPHDHQ-CYBMUJFWSA-N 1 0 313.397 3.404 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1cnn(C)c1 ZINC000922891737 621116137 /nfs/dbraw/zinc/11/61/37/621116137.db2.gz XZWOCFYDUFTZQA-KRWDZBQOSA-N 1 0 322.403 3.251 20 10 DGCDRO CCN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757534 621117994 /nfs/dbraw/zinc/11/79/94/621117994.db2.gz KQWYGOPJLUGDMZ-MRXNPFEDSA-N 1 0 319.493 3.222 20 10 DGCDRO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757942 621118122 /nfs/dbraw/zinc/11/81/22/621118122.db2.gz XQBPYXZWVCXMOD-HZPDHXFCSA-N 1 0 319.493 3.268 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1F ZINC000922899000 621129271 /nfs/dbraw/zinc/12/92/71/621129271.db2.gz VLVJUQOEJDKLPN-CRAIPNDOSA-N 1 0 306.425 3.187 20 10 DGCDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)/C=C/c2cccnc2)C1 ZINC000857932782 621134173 /nfs/dbraw/zinc/13/41/73/621134173.db2.gz WBBMNSSQPZWQTI-PEKVBPLLSA-N 1 0 321.424 3.004 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cncc(O)c2)cc1F ZINC000922975503 621140907 /nfs/dbraw/zinc/14/09/07/621140907.db2.gz GWDBLKVAZPOHSQ-UHFFFAOYSA-N 1 0 303.381 3.062 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc3c(c2)CCO3)cc1F ZINC000858120839 621155003 /nfs/dbraw/zinc/15/50/03/621155003.db2.gz NRQSVGIJLWCHCN-UHFFFAOYSA-N 1 0 318.367 3.256 20 10 DGCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858125695 621155641 /nfs/dbraw/zinc/15/56/41/621155641.db2.gz KXTDOIVWDJSBLY-VIFPVBQESA-N 1 0 324.222 3.047 20 10 DGCDRO Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858140798 621157475 /nfs/dbraw/zinc/15/74/75/621157475.db2.gz GRPZOJCUQYFQMJ-SNVBAGLBSA-N 1 0 323.387 3.356 20 10 DGCDRO Cc1ccccc1[C@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858147916 621158496 /nfs/dbraw/zinc/15/84/96/621158496.db2.gz DQCUQHBMZRLLQA-KRWDZBQOSA-N 1 0 320.383 3.162 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1F ZINC000858173085 621161547 /nfs/dbraw/zinc/16/15/47/621161547.db2.gz QGLBWPIPOMIHSR-ZDUSSCGKSA-N 1 0 324.415 3.470 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)c2cccnc2)cc1F ZINC000858179767 621162170 /nfs/dbraw/zinc/16/21/70/621162170.db2.gz SPHOXOWUYQFVKG-UHFFFAOYSA-N 1 0 319.399 3.493 20 10 DGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858180046 621162193 /nfs/dbraw/zinc/16/21/93/621162193.db2.gz KALYPOLLOCFXIZ-QWRGUYRKSA-N 1 0 314.223 3.202 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COc3cccc(C)c3C2)c1 ZINC000858216444 621165904 /nfs/dbraw/zinc/16/59/04/621165904.db2.gz ZWDUQTGTMHMEEO-HNNXBMFYSA-N 1 0 313.397 3.193 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](CO)CCC(C)C)CC2)cc1 ZINC000858240611 621167238 /nfs/dbraw/zinc/16/72/38/621167238.db2.gz BOMUAYVXFUICAM-KRWDZBQOSA-N 1 0 320.477 3.051 20 10 DGCDRO CCOc1cccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)c1O ZINC000858252093 621168641 /nfs/dbraw/zinc/16/86/41/621168641.db2.gz WTWPNRUJOXHATN-GOSISDBHSA-N 1 0 307.434 3.212 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cnc(C)n2C)c(C)n1-c1ccccc1 ZINC000858295051 621172941 /nfs/dbraw/zinc/17/29/41/621172941.db2.gz UAVHFRQAQKAUBV-UHFFFAOYSA-N 1 0 308.429 3.426 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@H]3CCCCO3)C2)cc1 ZINC000858428489 621189594 /nfs/dbraw/zinc/18/95/94/621189594.db2.gz URKCKEAJQOPPEP-GPMSIDNRSA-N 1 0 318.461 3.069 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)c(O)c1 ZINC000858453715 621192761 /nfs/dbraw/zinc/19/27/61/621192761.db2.gz YGZIRFXVZGJXEA-SNVBAGLBSA-N 1 0 313.323 3.304 20 10 DGCDRO C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(F)ccc1O ZINC000858452550 621192926 /nfs/dbraw/zinc/19/29/26/621192926.db2.gz LPTDKJSYPCCLEZ-QMMMGPOBSA-N 1 0 317.286 3.134 20 10 DGCDRO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000858471983 621195333 /nfs/dbraw/zinc/19/53/33/621195333.db2.gz FYKJPYYBIQMOOW-IUODEOHRSA-N 1 0 311.381 3.458 20 10 DGCDRO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000858473539 621195744 /nfs/dbraw/zinc/19/57/44/621195744.db2.gz PBVKXDDZFGVHQK-WBMJQRKESA-N 1 0 315.413 3.183 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000858504251 621199020 /nfs/dbraw/zinc/19/90/20/621199020.db2.gz NPTCDNCDXSKDAC-CZUORRHYSA-N 1 0 302.418 3.055 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000858509899 621200753 /nfs/dbraw/zinc/20/07/53/621200753.db2.gz TYANLBHEJPPQJU-ZFWWWQNUSA-N 1 0 303.402 3.312 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)cc1 ZINC000858527488 621201752 /nfs/dbraw/zinc/20/17/52/621201752.db2.gz HRNYCEWFGBQXBK-KUHUBIRLSA-N 1 0 323.440 3.357 20 10 DGCDRO CC[C@H](Cn1cncn1)[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858541519 621202989 /nfs/dbraw/zinc/20/29/89/621202989.db2.gz BCKQKCPRMGMGTA-GOSISDBHSA-N 1 0 323.444 3.254 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1O ZINC000859542777 621288873 /nfs/dbraw/zinc/28/88/73/621288873.db2.gz PXXKZQYOXQLECW-KGLIPLIRSA-N 1 0 309.406 3.204 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@@H]1SC ZINC000838918638 621297873 /nfs/dbraw/zinc/29/78/73/621297873.db2.gz UAMPLBXTFFWAAM-JQHSSLGASA-N 1 0 320.502 3.068 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)CCCc2cccnc2)c1O ZINC000839150964 621334092 /nfs/dbraw/zinc/33/40/92/621334092.db2.gz PEBSRNOZRBBBHR-CQSZACIVSA-N 1 0 300.402 3.297 20 10 DGCDRO C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000839182140 621344121 /nfs/dbraw/zinc/34/41/21/621344121.db2.gz LBLYVAFRGFNKJG-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000839187954 621345780 /nfs/dbraw/zinc/34/57/80/621345780.db2.gz RXMIEUDEJBLFEZ-LBPRGKRZSA-N 1 0 317.360 3.323 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2[C@@H](C)CC(C(=O)OC)C[C@@H]2C)cc1 ZINC000860190995 621379418 /nfs/dbraw/zinc/37/94/18/621379418.db2.gz YUKAYZZGROLOBV-GJZGRUSLSA-N 1 0 318.461 3.305 20 10 DGCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000117393082 621392608 /nfs/dbraw/zinc/39/26/08/621392608.db2.gz RIAWEWAMTIBCQQ-SJLPKXTDSA-N 1 0 320.502 3.287 20 10 DGCDRO CC[N@H+](CCOC)Cc1ccc(OCc2ccccc2)cc1O ZINC000753541156 621447476 /nfs/dbraw/zinc/44/74/76/621447476.db2.gz XWIGKPHXINEYEH-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(F)ccc1O)C2 ZINC000753576343 621450307 /nfs/dbraw/zinc/45/03/07/621450307.db2.gz RAMRIYBAGWHFOD-INIZCTEOSA-N 1 0 301.361 3.187 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000753762629 621464065 /nfs/dbraw/zinc/46/40/65/621464065.db2.gz JNNDYRCMXINBJT-UZLBHIALSA-N 1 0 312.457 3.397 20 10 DGCDRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000754119900 621488870 /nfs/dbraw/zinc/48/88/70/621488870.db2.gz FAJUYNPOXRDSOP-WWGRRREGSA-N 1 0 308.853 3.256 20 10 DGCDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000754130942 621490104 /nfs/dbraw/zinc/49/01/04/621490104.db2.gz TWYOMMJYZXIZON-NHIYQJMISA-N 1 0 306.425 3.185 20 10 DGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C1(C)C ZINC000754740983 621530194 /nfs/dbraw/zinc/53/01/94/621530194.db2.gz KDUIFSRJUWFRKM-HOTGVXAUSA-N 1 0 307.434 3.345 20 10 DGCDRO COc1cc(C[N@@H+]2CCOC[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000754748496 621530534 /nfs/dbraw/zinc/53/05/34/621530534.db2.gz OBKAUNHFBGPHRO-CYBMUJFWSA-N 1 0 307.434 3.167 20 10 DGCDRO CCN(CC[NH2+]Cc1cc(Cl)ccc1O)CCC(F)(F)F ZINC000755220812 621559687 /nfs/dbraw/zinc/55/96/87/621559687.db2.gz SDJXCCVMOCGPKP-UHFFFAOYSA-N 1 0 324.774 3.410 20 10 DGCDRO CC(C)OCCC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862246451 621566718 /nfs/dbraw/zinc/56/67/18/621566718.db2.gz IHMVZPCQSXNFGR-UHFFFAOYSA-N 1 0 300.393 3.278 20 10 DGCDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862245295 621566748 /nfs/dbraw/zinc/56/67/48/621566748.db2.gz MIADBYSIDGLGIF-CYBMUJFWSA-N 1 0 312.404 3.279 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1F ZINC000862248054 621567302 /nfs/dbraw/zinc/56/73/02/621567302.db2.gz GRGRBAZQVOIUQA-SFHVURJKSA-N 1 0 324.415 3.423 20 10 DGCDRO Cc1c(F)nccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000862326234 621574401 /nfs/dbraw/zinc/57/44/01/621574401.db2.gz LIOHEVJZQNLIJN-UHFFFAOYSA-N 1 0 317.408 3.106 20 10 DGCDRO C[C@@H]1CCSCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862343448 621575345 /nfs/dbraw/zinc/57/53/45/621575345.db2.gz NVZXPYREQGTBBX-SNVBAGLBSA-N 1 0 316.264 3.482 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1F ZINC000862360258 621578218 /nfs/dbraw/zinc/57/82/18/621578218.db2.gz YWSWAUDSBQZJKU-NVXWUHKLSA-N 1 0 310.388 3.174 20 10 DGCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862365075 621579185 /nfs/dbraw/zinc/57/91/85/621579185.db2.gz LZHQJFNNZNGKFH-HIFRSBDPSA-N 1 0 323.431 3.089 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1F ZINC000862368181 621580136 /nfs/dbraw/zinc/58/01/36/621580136.db2.gz DOQFJKJZVUOIIE-KRWDZBQOSA-N 1 0 312.404 3.158 20 10 DGCDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862371429 621580700 /nfs/dbraw/zinc/58/07/00/621580700.db2.gz IWPAECBSOPKVEX-KRWDZBQOSA-N 1 0 312.404 3.015 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@]3(C)CCCS3)C2)cc1 ZINC000862397158 621584389 /nfs/dbraw/zinc/58/43/89/621584389.db2.gz CAEJWRZJCYHMLP-YJBOKZPZSA-N 1 0 320.502 3.397 20 10 DGCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756363666 621631511 /nfs/dbraw/zinc/63/15/11/621631511.db2.gz QCZQDTLRLTUVAM-UONOGXRCSA-N 1 0 321.421 3.216 20 10 DGCDRO CC[C@@H](CCO)[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000119237290 621633134 /nfs/dbraw/zinc/63/31/34/621633134.db2.gz XFEPTYVROVVSCI-AAEUAGOBSA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1cc(Cl)ccc1O ZINC000756396759 621635069 /nfs/dbraw/zinc/63/50/69/621635069.db2.gz JZTLUIIYICIXTO-JSGCOSHPSA-N 1 0 321.804 3.136 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)nc2)c2c1c(F)ccc2O ZINC000756401428 621635686 /nfs/dbraw/zinc/63/56/86/621635686.db2.gz PBVXXJQEBYWCRZ-FZMZJTMJSA-N 1 0 315.392 3.330 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1 ZINC000756454351 621639370 /nfs/dbraw/zinc/63/93/70/621639370.db2.gz MBLVPGBGKYUZDG-FPCVCCKLSA-N 1 0 320.477 3.418 20 10 DGCDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756495477 621642114 /nfs/dbraw/zinc/64/21/14/621642114.db2.gz RQCDGMGXXGPOFJ-KBPBESRZSA-N 1 0 311.429 3.343 20 10 DGCDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756498632 621642500 /nfs/dbraw/zinc/64/25/00/621642500.db2.gz VQUQYLGRCUAXSN-ZYHUDNBSSA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCCc2cnn(C)c2)c2c1c(F)ccc2O ZINC000756525451 621645048 /nfs/dbraw/zinc/64/50/48/621645048.db2.gz BTVFLBCGJDALPP-BXUZGUMPSA-N 1 0 303.381 3.036 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756547676 621647138 /nfs/dbraw/zinc/64/71/38/621647138.db2.gz GFLUYATTWWXVJS-INWMFGNUSA-N 1 0 315.388 3.273 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCCN2CCCCC2=O)c2c1c(F)ccc2O ZINC000756553585 621647958 /nfs/dbraw/zinc/64/79/58/621647958.db2.gz GYFSNNDIUQZLOE-GXTWGEPZSA-N 1 0 320.408 3.072 20 10 DGCDRO C[C@H]([NH2+]CCCN1CCCCC1=O)c1cc(Cl)ccc1O ZINC000756553721 621647973 /nfs/dbraw/zinc/64/79/73/621647973.db2.gz HVAGSYFWQVHMGL-LBPRGKRZSA-N 1 0 310.825 3.099 20 10 DGCDRO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000756556997 621648430 /nfs/dbraw/zinc/64/84/30/621648430.db2.gz ZGFGZZWDDKTNQU-OAHLLOKOSA-N 1 0 320.477 3.241 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756586272 621651157 /nfs/dbraw/zinc/65/11/57/621651157.db2.gz QDPRQKHYKWTPDS-IVMMDQJWSA-N 1 0 315.388 3.273 20 10 DGCDRO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc2ccccc2c1O ZINC000756582870 621651372 /nfs/dbraw/zinc/65/13/72/621651372.db2.gz JUYVIBISBRNYOS-ZBFHGGJFSA-N 1 0 315.413 3.392 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(N(C)C)Cc3ccccc3C2)c1 ZINC000756598267 621651792 /nfs/dbraw/zinc/65/17/92/621651792.db2.gz QXCREJCKRQBMEF-MRXNPFEDSA-N 1 0 324.468 3.450 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCNc2ccccn2)c2c1c(F)ccc2O ZINC000756604880 621652058 /nfs/dbraw/zinc/65/20/58/621652058.db2.gz GVBUVLHJDWCEQP-WCQYABFASA-N 1 0 301.365 3.176 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000756603432 621652126 /nfs/dbraw/zinc/65/21/26/621652126.db2.gz BPDNXAOWSRYLME-MRCXROJRSA-N 1 0 305.349 3.304 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2ccccc2C)c1 ZINC000756635833 621654785 /nfs/dbraw/zinc/65/47/85/621654785.db2.gz HRVXHPBRWMEZRH-DYVFJYSZSA-N 1 0 301.386 3.093 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2csc(N(C)C)n2)c(O)c1C ZINC000756638868 621655100 /nfs/dbraw/zinc/65/51/00/621655100.db2.gz WEQMFQZRJBOWIT-LBPRGKRZSA-N 1 0 305.447 3.382 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c1 ZINC000756707034 621659222 /nfs/dbraw/zinc/65/92/22/621659222.db2.gz KEIXGGOYDKBBBA-AWEZNQCLSA-N 1 0 320.433 3.361 20 10 DGCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756712043 621659755 /nfs/dbraw/zinc/65/97/55/621659755.db2.gz PDXRXTFFAZHRRL-IIYDPXPESA-N 1 0 303.377 3.347 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756711042 621659923 /nfs/dbraw/zinc/65/99/23/621659923.db2.gz HRDVXVAEHVTGLC-BBRMVZONSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c1 ZINC000756762207 621662849 /nfs/dbraw/zinc/66/28/49/621662849.db2.gz WOFLTMWNVILBSH-ZQIUZPCESA-N 1 0 307.434 3.383 20 10 DGCDRO CCc1nnc([C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)[nH]1 ZINC000756778234 621664444 /nfs/dbraw/zinc/66/44/44/621664444.db2.gz NLBBEFSGYKHZIC-WCABBAIRSA-N 1 0 304.369 3.111 20 10 DGCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC000756996054 621677750 /nfs/dbraw/zinc/67/77/50/621677750.db2.gz DIZZLPCNODDKBL-SFHVURJKSA-N 1 0 322.408 3.209 20 10 DGCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC000756996053 621677783 /nfs/dbraw/zinc/67/77/83/621677783.db2.gz DIZZLPCNODDKBL-GOSISDBHSA-N 1 0 322.408 3.209 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)CC(F)(F)F)cc1F ZINC000756994047 621677800 /nfs/dbraw/zinc/67/78/00/621677800.db2.gz KOFOBQWCZBBQPC-LBPRGKRZSA-N 1 0 322.346 3.075 20 10 DGCDRO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000863545395 621682478 /nfs/dbraw/zinc/68/24/78/621682478.db2.gz QRLUIVGEWXFPEZ-JFIYKMOQSA-N 1 0 301.478 3.468 20 10 DGCDRO C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000863547263 621683053 /nfs/dbraw/zinc/68/30/53/621683053.db2.gz RBEAXJRGHPDLOS-TXPKVOOTSA-N 1 0 301.478 3.468 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccccc1O ZINC000839540996 621693033 /nfs/dbraw/zinc/69/30/33/621693033.db2.gz QDILYQPEJPKNPS-DOTOQJQBSA-N 1 0 310.397 3.386 20 10 DGCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000839641612 621706979 /nfs/dbraw/zinc/70/69/79/621706979.db2.gz WRYLGORCBXYRMB-DIFFPNOSSA-N 1 0 309.381 3.027 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000757652881 621731046 /nfs/dbraw/zinc/73/10/46/621731046.db2.gz GONDENUWEGJFFR-KGLIPLIRSA-N 1 0 319.401 3.292 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000757653537 621731053 /nfs/dbraw/zinc/73/10/53/621731053.db2.gz JIHYGISANNIZBA-GXTWGEPZSA-N 1 0 307.365 3.423 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(O)c1 ZINC000757864680 621743715 /nfs/dbraw/zinc/74/37/15/621743715.db2.gz BTCHDWOVSPWHEI-NVXWUHKLSA-N 1 0 307.434 3.020 20 10 DGCDRO CC(C)n1cc(C[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000809712614 621767146 /nfs/dbraw/zinc/76/71/46/621767146.db2.gz AVWNVCRGKVKWLW-UHFFFAOYSA-N 1 0 324.222 3.222 20 10 DGCDRO CCOc1cccc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c1O ZINC000758499668 621785201 /nfs/dbraw/zinc/78/52/01/621785201.db2.gz STVKGMRRDFQZKV-MRXNPFEDSA-N 1 0 307.434 3.476 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865465801 621927283 /nfs/dbraw/zinc/92/72/83/621927283.db2.gz KCRRTIXCPPUFIG-UHFFFAOYSA-N 1 0 311.385 3.198 20 10 DGCDRO C[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccc(N(C)C)cc1 ZINC000865530783 621944747 /nfs/dbraw/zinc/94/47/47/621944747.db2.gz BKHYCJLEJGCITI-LBPRGKRZSA-N 1 0 311.385 3.450 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@H]2CCSC2)cc1F ZINC000865651576 621971217 /nfs/dbraw/zinc/97/12/17/621971217.db2.gz XCNYJURDRCDDBH-LLVKDONJSA-N 1 0 300.418 3.264 20 10 DGCDRO C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cc(F)cc(F)c1[O-] ZINC000760896554 621972487 /nfs/dbraw/zinc/97/24/87/621972487.db2.gz GSBWYFXPFWCQIF-LBPRGKRZSA-N 1 0 312.404 3.443 20 10 DGCDRO C[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)CC1(C)OCCO1 ZINC000865672399 621975746 /nfs/dbraw/zinc/97/57/46/621975746.db2.gz JJSRSOFERDORKO-OGZRUICASA-N 1 0 318.461 3.145 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1C ZINC000865711815 621981471 /nfs/dbraw/zinc/98/14/71/621981471.db2.gz RCZYLROAGFROEZ-KBPBESRZSA-N 1 0 305.340 3.041 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c1O ZINC000865735340 621986085 /nfs/dbraw/zinc/98/60/85/621986085.db2.gz KMGGWXIYTKADJM-NVXWUHKLSA-N 1 0 305.418 3.228 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCC23CCOCC3)c(O)c1 ZINC000865778350 621993605 /nfs/dbraw/zinc/99/36/05/621993605.db2.gz IHFWHEAFVXAMQJ-OAHLLOKOSA-N 1 0 305.418 3.087 20 10 DGCDRO CCOc1cccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c1O ZINC000865856261 622008887 /nfs/dbraw/zinc/00/88/87/622008887.db2.gz DMGSZDBYQDJDKJ-MRXNPFEDSA-N 1 0 305.418 3.372 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC000865857610 622009390 /nfs/dbraw/zinc/00/93/90/622009390.db2.gz ULGIRCBKEVPGAW-KRWDZBQOSA-N 1 0 305.418 3.372 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCc4ncccc43)C2)cc1 ZINC000866384936 622107596 /nfs/dbraw/zinc/10/75/96/622107596.db2.gz GUUFUQHVTKBLLX-FOIQADDNSA-N 1 0 323.440 3.336 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(N(C)C)cc1 ZINC000866444496 622119600 /nfs/dbraw/zinc/11/96/00/622119600.db2.gz INNONJYATOSIDZ-KCCGOUDNSA-N 1 0 300.446 3.217 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000866489499 622126369 /nfs/dbraw/zinc/12/63/69/622126369.db2.gz PNDUHFGESSQNRU-AGIUHOORSA-N 1 0 303.324 3.365 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)on1 ZINC000866514334 622130339 /nfs/dbraw/zinc/13/03/39/622130339.db2.gz JOCYRIWSFMOJRJ-GFCCVEGCSA-N 1 0 318.373 3.025 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(Br)cn1)CC2 ZINC000866568936 622140579 /nfs/dbraw/zinc/14/05/79/622140579.db2.gz ICGGGUDSWREGEK-CYBMUJFWSA-N 1 0 319.202 3.327 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(Br)cc1O ZINC000866613568 622147015 /nfs/dbraw/zinc/14/70/15/622147015.db2.gz IECRKAXTGUSQFS-ZJUUUORDSA-N 1 0 324.222 3.300 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1ccnn1C ZINC000866613562 622147253 /nfs/dbraw/zinc/14/72/53/622147253.db2.gz IECRKAXTGUSQFS-NXEZZACHSA-N 1 0 324.222 3.300 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2ccc(F)cn2)ccc1OC ZINC000763519243 622149579 /nfs/dbraw/zinc/14/95/79/622149579.db2.gz QCVYFENVBMSDEU-UHFFFAOYSA-N 1 0 304.365 3.056 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765338077 622260407 /nfs/dbraw/zinc/26/04/07/622260407.db2.gz USHYQCCZQLIYQO-RDBSUJKOSA-N 1 0 308.853 3.483 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765834813 622290277 /nfs/dbraw/zinc/29/02/77/622290277.db2.gz HTKGCIFPXDUGMX-UONOGXRCSA-N 1 0 324.852 3.006 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000766587402 622340919 /nfs/dbraw/zinc/34/09/19/622340919.db2.gz XMKDKEHRJQJBNA-ZOCIIQOWSA-N 1 0 301.478 3.276 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCN2CCCC(C)(C)C2)c1 ZINC000767737053 622419419 /nfs/dbraw/zinc/41/94/19/622419419.db2.gz GNTVPUNWYVIZNA-UHFFFAOYSA-N 1 0 306.450 3.003 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)c1 ZINC000789778163 625565670 /nfs/dbraw/zinc/56/56/70/625565670.db2.gz FUDXGDUDNBIKBY-MOPGFXCFSA-N 1 0 315.413 3.249 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cscn3)CC2)cc1 ZINC000768100479 622438242 /nfs/dbraw/zinc/43/82/42/622438242.db2.gz BAGGDTZCKHBQQK-CYBMUJFWSA-N 1 0 317.458 3.471 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2ccccc2OC)c(O)c1 ZINC000768162329 622442766 /nfs/dbraw/zinc/44/27/66/622442766.db2.gz BBBMRVWBEXDWHX-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO CC[N@@H+](Cc1cc(C)ccc1O)C[C@@H]1COc2ccccc2O1 ZINC000768180585 622443648 /nfs/dbraw/zinc/44/36/48/622443648.db2.gz LVYKULFXWNWNER-MRXNPFEDSA-N 1 0 313.397 3.363 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCN(Cc3ccsc3)CC2)cc1 ZINC000768209032 622445691 /nfs/dbraw/zinc/44/56/91/622445691.db2.gz XKEGZPYYVIUKAA-UHFFFAOYSA-N 1 0 315.486 3.132 20 10 DGCDRO CCOc1ccc(C[N@H+](C)CCOc2ccc(F)cc2)c(O)c1 ZINC000768213256 622445767 /nfs/dbraw/zinc/44/57/67/622445767.db2.gz PHGJYFHTQJCMDL-UHFFFAOYSA-N 1 0 319.376 3.441 20 10 DGCDRO C[N@H+](CCC1CCCCC1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768443244 622456255 /nfs/dbraw/zinc/45/62/55/622456255.db2.gz BVDSGYVSECKSHG-KRWDZBQOSA-N 1 0 305.418 3.220 20 10 DGCDRO COc1cc(CN2CCC[N@@H+](C3CCCC3)CC2)c(O)cc1C ZINC000768446377 622456793 /nfs/dbraw/zinc/45/67/93/622456793.db2.gz NLIRZKDCUHTTKB-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(C)cc2O)C12CCC2 ZINC000768461923 622457417 /nfs/dbraw/zinc/45/74/17/622457417.db2.gz HQVFRXNYLMAXRV-MSOLQXFVSA-N 1 0 319.445 3.489 20 10 DGCDRO CCC[N@@H+](Cc1cc(OC)c(C)cc1O)C[C@@H]1CCCCO1 ZINC000768452711 622457617 /nfs/dbraw/zinc/45/76/17/622457617.db2.gz RKPHMEBXBQTBTA-INIZCTEOSA-N 1 0 307.434 3.490 20 10 DGCDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463619 622458331 /nfs/dbraw/zinc/45/83/31/622458331.db2.gz KNAQKBBHTFTBLD-PBHICJAKSA-N 1 0 305.418 3.219 20 10 DGCDRO CC[N@@H+](Cc1cccc(Br)c1[O-])C[C@H]1CCOC1 ZINC000768521445 622461566 /nfs/dbraw/zinc/46/15/66/622461566.db2.gz QRMZTGLFZZRFKC-LLVKDONJSA-N 1 0 314.223 3.013 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000769148839 622502323 /nfs/dbraw/zinc/50/23/23/622502323.db2.gz TZAABFBNTMGVMA-CQSZACIVSA-N 1 0 320.433 3.142 20 10 DGCDRO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000769328568 622518179 /nfs/dbraw/zinc/51/81/79/622518179.db2.gz RBHKGHHGZRJYDO-IBGZPJMESA-N 1 0 324.424 3.016 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000769390165 622523932 /nfs/dbraw/zinc/52/39/32/622523932.db2.gz RBBATBHRJUIQIG-ZDUSSCGKSA-N 1 0 301.386 3.169 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+](C)[C@H]2C[C@H](OCC)C2(C)C)c1 ZINC000769473131 622531295 /nfs/dbraw/zinc/53/12/95/622531295.db2.gz LGXBWMNMTFAVAM-IRXDYDNUSA-N 1 0 307.434 3.426 20 10 DGCDRO C[C@H](NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccccc1O ZINC000870988404 622531408 /nfs/dbraw/zinc/53/14/08/622531408.db2.gz OQRXMJWEWALXLT-XJKSGUPXSA-N 1 0 324.424 3.262 20 10 DGCDRO CCOc1ccc(C[N@@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)c(O)c1 ZINC000769474882 622531511 /nfs/dbraw/zinc/53/15/11/622531511.db2.gz SWQZKCDJXDMQJC-IAGOWNOFSA-N 1 0 307.434 3.426 20 10 DGCDRO Cc1cccc(C[N@@H+](C)Cc2cc(Br)ccc2O)n1 ZINC000769480781 622532282 /nfs/dbraw/zinc/53/22/82/622532282.db2.gz OVMJEYAZYDRMEG-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC)cc1 ZINC000769481488 622532337 /nfs/dbraw/zinc/53/23/37/622532337.db2.gz BERHQZWQBHKWLY-QGZVFWFLSA-N 1 0 304.434 3.060 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c(O)c1 ZINC000769484029 622533036 /nfs/dbraw/zinc/53/30/36/622533036.db2.gz JKQGENZKEOTSKE-SFHVURJKSA-N 1 0 305.418 3.184 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@@H](CC)CN1C(C)=O ZINC000769494943 622534011 /nfs/dbraw/zinc/53/40/11/622534011.db2.gz CBEKDRZYYLBGND-HOTGVXAUSA-N 1 0 324.852 3.267 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1F ZINC000769503361 622534989 /nfs/dbraw/zinc/53/49/89/622534989.db2.gz HYUWTCADSOHVFH-AWEZNQCLSA-N 1 0 322.424 3.055 20 10 DGCDRO Oc1ccccc1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000770509541 622640668 /nfs/dbraw/zinc/64/06/68/622640668.db2.gz NXRJPUQHSJNNGQ-UHFFFAOYSA-N 1 0 316.832 3.363 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)cc1OC ZINC000770671021 622658702 /nfs/dbraw/zinc/65/87/02/622658702.db2.gz WEDZATZORCXKJU-CYBMUJFWSA-N 1 0 305.418 3.422 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000770666218 622658791 /nfs/dbraw/zinc/65/87/91/622658791.db2.gz WMUIBPOTHLXVIE-UHFFFAOYSA-N 1 0 322.424 3.105 20 10 DGCDRO CC[C@H]([NH2+]CCCSc1nccs1)[C@H]1CCCOC1 ZINC000872038476 622768013 /nfs/dbraw/zinc/76/80/13/622768013.db2.gz NZCAHFKWFYOIHL-STQMWFEESA-N 1 0 300.493 3.420 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772979832 622959875 /nfs/dbraw/zinc/95/98/75/622959875.db2.gz XABGCZXBIISTJB-HIFRSBDPSA-N 1 0 306.425 3.359 20 10 DGCDRO C[C@@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000773015619 622968053 /nfs/dbraw/zinc/96/80/53/622968053.db2.gz QUNLFWKUBAHKLI-MRXNPFEDSA-N 1 0 317.477 3.196 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773105582 622984875 /nfs/dbraw/zinc/98/48/75/622984875.db2.gz HWXYOTQFKKWLIE-TZMCWYRMSA-N 1 0 304.356 3.107 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000773402826 623022448 /nfs/dbraw/zinc/02/24/48/623022448.db2.gz UDIPOUPVONBSPW-QUJCMNEKSA-N 1 0 313.397 3.444 20 10 DGCDRO COc1ccc(C[NH2+]CC2CC(F)(F)C2)cc1Cn1cccn1 ZINC000873126822 623042459 /nfs/dbraw/zinc/04/24/59/623042459.db2.gz DIBACFIGHICEPL-UHFFFAOYSA-N 1 0 321.371 3.075 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1Cn1cccn1 ZINC000873134662 623044768 /nfs/dbraw/zinc/04/47/68/623044768.db2.gz SDFRFZKMKXYPIQ-JFIYKMOQSA-N 1 0 311.429 3.218 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1 ZINC000873155687 623054936 /nfs/dbraw/zinc/05/49/36/623054936.db2.gz OVXBJGZPENKMRU-FQXPSMDWSA-N 1 0 300.446 3.313 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1 ZINC000873178320 623063514 /nfs/dbraw/zinc/06/35/14/623063514.db2.gz PIUJGPJIWVPRDH-JCNLHEQBSA-N 1 0 316.470 3.245 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1 ZINC000773808149 623074489 /nfs/dbraw/zinc/07/44/89/623074489.db2.gz NUGJXCUNJDNJCH-GOSISDBHSA-N 1 0 312.461 3.386 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000873251611 623092303 /nfs/dbraw/zinc/09/23/03/623092303.db2.gz XKNITHVNWTYBON-DFAYQTQMSA-N 1 0 303.233 3.477 20 10 DGCDRO COc1c(O)c(C[N@@H+]2CC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774813901 623194610 /nfs/dbraw/zinc/19/46/10/623194610.db2.gz IOHVYTRLWSKVFV-AWEZNQCLSA-N 1 0 314.341 3.256 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]CCc2cnccn2)cc1 ZINC000774834108 623197366 /nfs/dbraw/zinc/19/73/66/623197366.db2.gz YELXFSFIJSPCNM-UHFFFAOYSA-N 1 0 312.461 3.435 20 10 DGCDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000774833914 623197515 /nfs/dbraw/zinc/19/75/15/623197515.db2.gz WNAKWHATCWDBOS-HZMBPMFUSA-N 1 0 314.223 3.059 20 10 DGCDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000774833915 623197537 /nfs/dbraw/zinc/19/75/37/623197537.db2.gz WNAKWHATCWDBOS-IINYFYTJSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1nc(C(C)(C)[NH2+]Cc2cc3c(cc2O)OCO3)sc1C ZINC000124740163 623222678 /nfs/dbraw/zinc/22/26/78/623222678.db2.gz CLZFGCFDPGEJNE-UHFFFAOYSA-N 1 0 320.414 3.219 20 10 DGCDRO CCCN(Cc1ccc(-n2cncn2)cc1)c1ccc(C[NH3+])cc1 ZINC000775140675 623234824 /nfs/dbraw/zinc/23/48/24/623234824.db2.gz POWPYZOQYTVLMS-UHFFFAOYSA-N 1 0 321.428 3.143 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)COCC(C)C)c1cc(Cl)ccc1O ZINC000775487814 623278811 /nfs/dbraw/zinc/27/88/11/623278811.db2.gz DXJDXVGEWQRERF-HIFRSBDPSA-N 1 0 315.841 3.120 20 10 DGCDRO CC[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775504476 623281655 /nfs/dbraw/zinc/28/16/55/623281655.db2.gz YJXOQAUKSBBOSM-DOMZBBRYSA-N 1 0 313.825 3.139 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)CO[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775512321 623282265 /nfs/dbraw/zinc/28/22/65/623282265.db2.gz JCQFWLNJFVXJMZ-KYOSRNDESA-N 1 0 313.825 3.280 20 10 DGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2cc(Cl)ccc2O)C1 ZINC000775513118 623282467 /nfs/dbraw/zinc/28/24/67/623282467.db2.gz GGHNFVAXLKWBAY-OCCSQVGLSA-N 1 0 310.825 3.097 20 10 DGCDRO CC[C@@H]([NH2+]CCCc1nc(C)no1)c1cc(Cl)ccc1O ZINC000775518959 623283301 /nfs/dbraw/zinc/28/33/01/623283301.db2.gz JQTQTXPMNYTWED-CYBMUJFWSA-N 1 0 309.797 3.411 20 10 DGCDRO CC[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Cl)ccc1O ZINC000775521573 623284135 /nfs/dbraw/zinc/28/41/35/623284135.db2.gz YTYSSWLCSLWPPX-CQSZACIVSA-N 1 0 310.825 3.145 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)CC[S@@](C)=O)c1cc(Cl)ccc1O ZINC000775527824 623285099 /nfs/dbraw/zinc/28/50/99/623285099.db2.gz UQUBYWKNHQHMOK-KPGGICDASA-N 1 0 303.855 3.243 20 10 DGCDRO CC[C@H]([NH2+]C1(COC)CC1)c1cc(Br)ccc1O ZINC000775541065 623287009 /nfs/dbraw/zinc/28/70/09/623287009.db2.gz UHQINZXQZKTLLQ-LBPRGKRZSA-N 1 0 314.223 3.374 20 10 DGCDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000775579677 623292439 /nfs/dbraw/zinc/29/24/39/623292439.db2.gz PQSUIANVDXXLES-ILXRZTDVSA-N 1 0 320.433 3.218 20 10 DGCDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000775580878 623293427 /nfs/dbraw/zinc/29/34/27/623293427.db2.gz MZWOIHPGDKBKAJ-ZNMIVQPWSA-N 1 0 320.433 3.218 20 10 DGCDRO Cn1ccnc1[C@@H]([NH2+]CCCSc1nccs1)C1CC1 ZINC000775635179 623299570 /nfs/dbraw/zinc/29/95/70/623299570.db2.gz UWXDQESWNYIHEK-LBPRGKRZSA-N 1 0 308.476 3.100 20 10 DGCDRO CCc1cnc(N2CC[NH+](Cc3cccc(C)c3O)CC2)s1 ZINC000775695911 623315597 /nfs/dbraw/zinc/31/55/97/623315597.db2.gz UBAZDPIWHCQJLF-UHFFFAOYSA-N 1 0 317.458 3.042 20 10 DGCDRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)c1ccc(N(C)C)cc1 ZINC000775833008 623339410 /nfs/dbraw/zinc/33/94/10/623339410.db2.gz FFXBBHYICJEMDF-NSHDSACASA-N 1 0 308.376 3.275 20 10 DGCDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775837504 623339529 /nfs/dbraw/zinc/33/95/29/623339529.db2.gz UBCNOEHRQOWJNX-GFCCVEGCSA-N 1 0 318.442 3.452 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000775973563 623359391 /nfs/dbraw/zinc/35/93/91/623359391.db2.gz UNRMFEMJOAEQBQ-HNNXBMFYSA-N 1 0 312.413 3.017 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cc1OC ZINC000776024883 623366265 /nfs/dbraw/zinc/36/62/65/623366265.db2.gz ZLJUZWPLYGTPJE-BXUZGUMPSA-N 1 0 317.385 3.416 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1N(C)C ZINC000776163397 623386241 /nfs/dbraw/zinc/38/62/41/623386241.db2.gz AOEHKTQNGPCXEB-BHIYHBOVSA-N 1 0 314.473 3.498 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)Cc2cccc(O)c2)c1 ZINC000776174295 623390457 /nfs/dbraw/zinc/39/04/57/623390457.db2.gz HOKHNWGXHTZJIT-ZDUSSCGKSA-N 1 0 301.386 3.217 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1OC ZINC000776174549 623390767 /nfs/dbraw/zinc/39/07/67/623390767.db2.gz FKFMGALWHBEZLI-KCQAQPDRSA-N 1 0 305.418 3.468 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)C12CCCC2 ZINC000776224585 623399716 /nfs/dbraw/zinc/39/97/16/623399716.db2.gz UKBWLULIUNRRQB-IRXDYDNUSA-N 1 0 305.418 3.228 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1O ZINC000776252392 623401459 /nfs/dbraw/zinc/40/14/59/623401459.db2.gz SVXYQIHPFXSGCA-INIZCTEOSA-N 1 0 323.795 3.186 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](Cc3ccccc3)C1)CCC2 ZINC000776294744 623408321 /nfs/dbraw/zinc/40/83/21/623408321.db2.gz VCWQCIOHNNCGRP-HXUWFJFHSA-N 1 0 323.436 3.324 20 10 DGCDRO C[C@@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccccc1O ZINC000875486073 623455741 /nfs/dbraw/zinc/45/57/41/623455741.db2.gz VLSLGLLWUKMDTD-LSDHHAIUSA-N 1 0 319.449 3.017 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000777440657 623525803 /nfs/dbraw/zinc/52/58/03/623525803.db2.gz INOFWJIADFUHNC-UHFFFAOYSA-N 1 0 316.445 3.252 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000777551171 623540815 /nfs/dbraw/zinc/54/08/15/623540815.db2.gz LOWVKMAJTRPVJX-INIZCTEOSA-N 1 0 312.413 3.331 20 10 DGCDRO CC(C)C1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000777561207 623541565 /nfs/dbraw/zinc/54/15/65/623541565.db2.gz GWJDGKQOPLMLBG-INIZCTEOSA-N 1 0 305.418 3.076 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OCC3CC3)C1)CCC2 ZINC000777556451 623541844 /nfs/dbraw/zinc/54/18/44/623541844.db2.gz SMKZWMAMFCKBCT-SFHVURJKSA-N 1 0 301.430 3.272 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000790482733 625659428 /nfs/dbraw/zinc/65/94/28/625659428.db2.gz CFLWSXHJUBNEDZ-DLBZAZTESA-N 1 0 312.461 3.302 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000876590973 623654222 /nfs/dbraw/zinc/65/42/22/623654222.db2.gz CBMRKXUFRPZJMV-SFHVURJKSA-N 1 0 301.361 3.413 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CC3CCSCC3)CC2)cc1 ZINC000876631079 623664838 /nfs/dbraw/zinc/66/48/38/623664838.db2.gz CTONLEWQWHWMPC-UHFFFAOYSA-N 1 0 320.502 3.351 20 10 DGCDRO C[NH+](C)CCCC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876768675 623701043 /nfs/dbraw/zinc/70/10/43/623701043.db2.gz LBLSWUGCPXDODU-UHFFFAOYSA-N 1 0 312.404 3.224 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(O)c1 ZINC000876809183 623712364 /nfs/dbraw/zinc/71/23/64/623712364.db2.gz XEOYFNXIRGUXIR-DOTOQJQBSA-N 1 0 301.386 3.382 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000778996533 623718066 /nfs/dbraw/zinc/71/80/66/623718066.db2.gz PJXOMPDIJTVFCX-UHFFFAOYSA-N 1 0 317.360 3.097 20 10 DGCDRO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1O ZINC000779007963 623720366 /nfs/dbraw/zinc/72/03/66/623720366.db2.gz OQXWENHOKQRKCJ-KRWDZBQOSA-N 1 0 310.441 3.489 20 10 DGCDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000779105771 623729865 /nfs/dbraw/zinc/72/98/65/623729865.db2.gz FJWCSVNYZVPOAW-ZIAGYGMSSA-N 1 0 320.433 3.222 20 10 DGCDRO Cc1ccccc1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876882523 623735452 /nfs/dbraw/zinc/73/54/52/623735452.db2.gz KGCQAUPHIWJWDN-UHFFFAOYSA-N 1 0 324.468 3.288 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1OC ZINC000876928340 623746571 /nfs/dbraw/zinc/74/65/71/623746571.db2.gz AOPNEHCENTYKTN-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO CCC[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)OC ZINC000876942949 623750685 /nfs/dbraw/zinc/75/06/85/623750685.db2.gz JUMUCXCEYQLBCO-KRWDZBQOSA-N 1 0 308.491 3.145 20 10 DGCDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876948361 623751989 /nfs/dbraw/zinc/75/19/89/623751989.db2.gz GZXNJJNEZPHWMQ-UHFFFAOYSA-N 1 0 318.461 3.217 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C ZINC000877023517 623767884 /nfs/dbraw/zinc/76/78/84/623767884.db2.gz UYAOQUGMUGUDMG-ZDUSSCGKSA-N 1 0 308.422 3.094 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000779431976 623769500 /nfs/dbraw/zinc/76/95/00/623769500.db2.gz JEXYZKCQNBAFNV-CRAIPNDOSA-N 1 0 305.418 3.221 20 10 DGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cccc(C)c1O)CC2 ZINC000779600333 623780361 /nfs/dbraw/zinc/78/03/61/623780361.db2.gz ZHSVTZYJDYZQJF-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO CC(C)CSCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877122367 623795857 /nfs/dbraw/zinc/79/58/57/623795857.db2.gz RCENLSLZOBDJFO-UHFFFAOYSA-N 1 0 322.518 3.127 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)[C@H]2CCCOC2)ccc1OC ZINC000779989116 623846224 /nfs/dbraw/zinc/84/62/24/623846224.db2.gz UQCQPEDCONFWBE-ZBFHGGJFSA-N 1 0 307.434 3.136 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000877374583 623860938 /nfs/dbraw/zinc/86/09/38/623860938.db2.gz KRNLTBOTUJZUEK-QGZVFWFLSA-N 1 0 305.805 3.351 20 10 DGCDRO CC1(C)CC(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877458809 623890576 /nfs/dbraw/zinc/89/05/76/623890576.db2.gz AAGFWVHCWXKCKD-UHFFFAOYSA-N 1 0 302.462 3.174 20 10 DGCDRO Cc1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC000877457692 623890585 /nfs/dbraw/zinc/89/05/85/623890585.db2.gz ACFUGHCNWCMGTD-UHFFFAOYSA-N 1 0 316.367 3.065 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000877478523 623901831 /nfs/dbraw/zinc/90/18/31/623901831.db2.gz NLAZPXFGYXVDEP-GUDVDZBRSA-N 1 0 318.461 3.088 20 10 DGCDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000877526838 623924113 /nfs/dbraw/zinc/92/41/13/623924113.db2.gz VOTKJXZTBOREJL-GTJPDFRWSA-N 1 0 315.350 3.213 20 10 DGCDRO COC(=O)c1csc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000877532038 623926973 /nfs/dbraw/zinc/92/69/73/623926973.db2.gz BWWNKWGQNLQWRV-JTQLQIEISA-N 1 0 321.398 3.100 20 10 DGCDRO Cc1ccc(C[N@@H+](Cc2ccco2)C2CCN(C)CC2)c(O)c1 ZINC000877531600 623927307 /nfs/dbraw/zinc/92/73/07/623927307.db2.gz RKNXMXIHOHPZCV-UHFFFAOYSA-N 1 0 314.429 3.390 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCc2cccnc2)c1 ZINC000877532257 623928093 /nfs/dbraw/zinc/92/80/93/623928093.db2.gz CYVLBVADARPNPP-ZIAGYGMSSA-N 1 0 300.402 3.468 20 10 DGCDRO c1cc(-c2n[nH]cc2C[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC000780521847 623943027 /nfs/dbraw/zinc/94/30/27/623943027.db2.gz XPGCLYIUXCPQQA-UHFFFAOYSA-N 1 0 311.410 3.363 20 10 DGCDRO Cc1csc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877564645 623943631 /nfs/dbraw/zinc/94/36/31/623943631.db2.gz HXORRTNHHKJOLW-UHFFFAOYSA-N 1 0 316.470 3.307 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c(O)c1 ZINC000877570637 623946174 /nfs/dbraw/zinc/94/61/74/623946174.db2.gz LICDFGWVEKNRLU-WBVHZDCISA-N 1 0 317.429 3.208 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000877589000 623953513 /nfs/dbraw/zinc/95/35/13/623953513.db2.gz FCHMTKFFECZCKU-FQEVSTJZSA-N 1 0 323.392 3.311 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000877589001 623953555 /nfs/dbraw/zinc/95/35/55/623953555.db2.gz FCHMTKFFECZCKU-HXUWFJFHSA-N 1 0 323.392 3.311 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000877589938 623953853 /nfs/dbraw/zinc/95/38/53/623953853.db2.gz UEHMUSXCDJLBCH-HXUWFJFHSA-N 1 0 323.392 3.311 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](CC(C)C)OC)C2)cc1 ZINC000877598005 623957183 /nfs/dbraw/zinc/95/71/83/623957183.db2.gz FZRBJYIDEDKQPC-QFBILLFUSA-N 1 0 320.477 3.172 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3nc(Cl)cs3)C2)cc1 ZINC000877620685 623966039 /nfs/dbraw/zinc/96/60/39/623966039.db2.gz KZELNXKOGAYBSW-LLVKDONJSA-N 1 0 323.849 3.174 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1cccc(OC)c1 ZINC000877626710 623968731 /nfs/dbraw/zinc/96/87/31/623968731.db2.gz YLYDLLZBPXZWGJ-QGZVFWFLSA-N 1 0 301.386 3.187 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)cc1C ZINC000877645385 623976226 /nfs/dbraw/zinc/97/62/26/623976226.db2.gz JUUARZYOEUKNEW-SFHVURJKSA-N 1 0 312.413 3.195 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC[C@H]3CC=CCC3)cc2)CC1 ZINC000877655905 623979656 /nfs/dbraw/zinc/97/96/56/623979656.db2.gz OZCSXSXELHSXKL-KRWDZBQOSA-N 1 0 314.473 3.484 20 10 DGCDRO CCC1([NH+](C)C)CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000877689629 623992939 /nfs/dbraw/zinc/99/29/39/623992939.db2.gz HPZBOEBLUXDEQC-UHFFFAOYSA-N 1 0 307.457 3.198 20 10 DGCDRO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2Cc3cccc(O)c3C2)c1C ZINC000877702538 623997770 /nfs/dbraw/zinc/99/77/70/623997770.db2.gz ANIOVBOSIKDILP-UHFFFAOYSA-N 1 0 314.385 3.030 20 10 DGCDRO COC[C@H](C)Oc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877702932 623998922 /nfs/dbraw/zinc/99/89/22/623998922.db2.gz KPUCISPWGNLJGV-AWEZNQCLSA-N 1 0 313.397 3.322 20 10 DGCDRO CCc1cccc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1O ZINC000877713095 624002412 /nfs/dbraw/zinc/00/24/12/624002412.db2.gz DTYAMEMUYSXUEN-GOSISDBHSA-N 1 0 323.440 3.334 20 10 DGCDRO COc1ccccc1[C@@H]1C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000877756330 624022710 /nfs/dbraw/zinc/02/27/10/624022710.db2.gz UAXRKNOZTPAUBF-IBGZPJMESA-N 1 0 313.397 3.283 20 10 DGCDRO COc1cc(F)cc(OC)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758125 624023880 /nfs/dbraw/zinc/02/38/80/624023880.db2.gz JVQORFGQXJVPAK-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC000877817337 624048959 /nfs/dbraw/zinc/04/89/59/624048959.db2.gz LVELGSUHKSERBU-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c(O)c1 ZINC000877820320 624050993 /nfs/dbraw/zinc/05/09/93/624050993.db2.gz HDYSWXFOJDGFGE-BXUZGUMPSA-N 1 0 303.324 3.242 20 10 DGCDRO C[C@H]1OCC[C@H]1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000878240773 624224520 /nfs/dbraw/zinc/22/45/20/624224520.db2.gz KUELRRIMHBBOSV-CABCVRRESA-N 1 0 301.386 3.412 20 10 DGCDRO COc1cc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c(O)cc1C ZINC000782291372 624233364 /nfs/dbraw/zinc/23/33/64/624233364.db2.gz VDOOMKANCOSYJI-CQSZACIVSA-N 1 0 313.397 3.492 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000783302618 624336549 /nfs/dbraw/zinc/33/65/49/624336549.db2.gz FPJXRZWSQBHEBI-HOCLYGCPSA-N 1 0 320.408 3.006 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000783302614 624336636 /nfs/dbraw/zinc/33/66/36/624336636.db2.gz FPJXRZWSQBHEBI-GDBMZVCRSA-N 1 0 320.408 3.006 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccccc1O ZINC000783504909 624359949 /nfs/dbraw/zinc/35/99/49/624359949.db2.gz OUDMKQRRPGJGHB-CYBMUJFWSA-N 1 0 312.369 3.200 20 10 DGCDRO CCOC(=O)CC(C)(C)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000805748637 624376025 /nfs/dbraw/zinc/37/60/25/624376025.db2.gz PNFYFKKEVQMLLD-ZDUSSCGKSA-N 1 0 323.433 3.421 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC([C@H]3CCOC3)CC1)CCC2 ZINC000784007551 624419598 /nfs/dbraw/zinc/41/95/98/624419598.db2.gz OALXHXMPYIXKMA-KRWDZBQOSA-N 1 0 301.430 3.129 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cnc(C)s2)c1O ZINC000879251156 624465015 /nfs/dbraw/zinc/46/50/15/624465015.db2.gz GAYWTGCOFZHLMH-QMMMGPOBSA-N 1 0 308.378 3.350 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(Cl)ccc1O ZINC000784626327 624561842 /nfs/dbraw/zinc/56/18/42/624561842.db2.gz ZSMNSLBUBYZKCN-AWEZNQCLSA-N 1 0 309.793 3.376 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)NCC1CCCCC1)c1ccccc1O ZINC000879648384 624621400 /nfs/dbraw/zinc/62/14/00/624621400.db2.gz MGBZXVVMSONLHT-CQSZACIVSA-N 1 0 304.434 3.129 20 10 DGCDRO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000879647387 624621481 /nfs/dbraw/zinc/62/14/81/624621481.db2.gz BOTGZJPNQAIDDV-CABCVRRESA-N 1 0 312.413 3.484 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccccc1O ZINC000879650062 624622739 /nfs/dbraw/zinc/62/27/39/624622739.db2.gz ZIVFGSXTDRHIGW-OCCSQVGLSA-N 1 0 321.804 3.136 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)c1ccccc1O ZINC000879649699 624622985 /nfs/dbraw/zinc/62/29/85/624622985.db2.gz SUBRVEJGMGVFDN-CABCVRRESA-N 1 0 312.413 3.090 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@H]1C)c1ccccc1O ZINC000879650081 624623027 /nfs/dbraw/zinc/62/30/27/624623027.db2.gz ZXCQMSJMXKTYFX-TUVASFSCSA-N 1 0 304.434 3.221 20 10 DGCDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648973 624623181 /nfs/dbraw/zinc/62/31/81/624623181.db2.gz IAAKAYJHRGNITA-HZPDHXFCSA-N 1 0 315.413 3.100 20 10 DGCDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000879650460 624624821 /nfs/dbraw/zinc/62/48/21/624624821.db2.gz AXYFXNCMWOOSMS-NSHDSACASA-N 1 0 302.330 3.160 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)C1CCCCC1 ZINC000879652439 624626448 /nfs/dbraw/zinc/62/64/48/624626448.db2.gz DGYJYGCCIPXEHB-KBPBESRZSA-N 1 0 304.434 3.222 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000879653371 624626838 /nfs/dbraw/zinc/62/68/38/624626838.db2.gz PITCEMCBUKOSQC-RZLSGREXSA-N 1 0 304.434 3.126 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000786165781 624815255 /nfs/dbraw/zinc/81/52/55/624815255.db2.gz YGXPTCFIGCAXSI-AWEZNQCLSA-N 1 0 305.805 3.047 20 10 DGCDRO CC(C)OCC[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000788272862 625111402 /nfs/dbraw/zinc/11/14/02/625111402.db2.gz YZVLJIFDRGJIBR-SFHVURJKSA-N 1 0 321.461 3.313 20 10 DGCDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000788543036 625212371 /nfs/dbraw/zinc/21/23/71/625212371.db2.gz RNJMYVXGXXLZIP-CQSZACIVSA-N 1 0 308.491 3.143 20 10 DGCDRO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000788610350 625227179 /nfs/dbraw/zinc/22/71/79/625227179.db2.gz LLNDDARHSCGMHD-OAHLLOKOSA-N 1 0 302.462 3.346 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000882941994 625867324 /nfs/dbraw/zinc/86/73/24/625867324.db2.gz IOJMBPHZBOZJTI-UHFFFAOYSA-N 1 0 324.415 3.415 20 10 DGCDRO COCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CC[C@@H](C)C1 ZINC000792465206 625947917 /nfs/dbraw/zinc/94/79/17/625947917.db2.gz LXSICOGRLVIKLE-MLGOLLRUSA-N 1 0 323.408 3.371 20 10 DGCDRO C[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796311209 626037472 /nfs/dbraw/zinc/03/74/72/626037472.db2.gz VIKSWCHUANCCSH-INIZCTEOSA-N 1 0 310.441 3.110 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2(c3ccccn3)CCC2)cc1F ZINC000796513490 626057355 /nfs/dbraw/zinc/05/73/55/626057355.db2.gz NVXRZGDOABFRME-UHFFFAOYSA-N 1 0 313.420 3.498 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000798002824 626188731 /nfs/dbraw/zinc/18/87/31/626188731.db2.gz SZPQTQJSTRUDTJ-NRWUCQMLSA-N 1 0 321.392 3.401 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc2c1OCC2 ZINC000798494815 626220897 /nfs/dbraw/zinc/22/08/97/626220897.db2.gz SXVKHDBKGBFYKI-RYQLBKOJSA-N 1 0 301.430 3.306 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@](C)(O)C(F)(F)F)cc1 ZINC000799106392 626272002 /nfs/dbraw/zinc/27/20/02/626272002.db2.gz FRMLPAJSKUVEOG-HNNXBMFYSA-N 1 0 318.383 3.278 20 10 DGCDRO COc1cc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c(O)cc1C ZINC000799149944 626275286 /nfs/dbraw/zinc/27/52/86/626275286.db2.gz UUBCSPSKDYDRLI-INIZCTEOSA-N 1 0 315.417 3.170 20 10 DGCDRO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(F)ccc1O ZINC000799728573 626324811 /nfs/dbraw/zinc/32/48/11/626324811.db2.gz CKWOEPPKJUAMGC-XJKSGUPXSA-N 1 0 303.377 3.176 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)c1O ZINC000799737004 626326381 /nfs/dbraw/zinc/32/63/81/626326381.db2.gz QNMBXGWUQBNFPQ-UHFFFAOYSA-N 1 0 315.417 3.336 20 10 DGCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800493770 626364706 /nfs/dbraw/zinc/36/47/06/626364706.db2.gz QHKOPPKWJMSAJJ-KGLIPLIRSA-N 1 0 310.869 3.437 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000800968933 626387370 /nfs/dbraw/zinc/38/73/70/626387370.db2.gz GLIZXYFRBNUQKD-KYNGSXCRSA-N 1 0 300.446 3.442 20 10 DGCDRO CCCC[N@H+](CC(=O)N1CCCC[C@@H]1C)Cc1ccccc1O ZINC000801596599 626411480 /nfs/dbraw/zinc/41/14/80/626411480.db2.gz HBBKODSTUHLODI-INIZCTEOSA-N 1 0 318.461 3.395 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NCC(C)C ZINC000801599221 626411875 /nfs/dbraw/zinc/41/18/75/626411875.db2.gz FZTSOSVEWZWJQV-OAHLLOKOSA-N 1 0 306.450 3.155 20 10 DGCDRO CCOc1ccc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000801732789 626416497 /nfs/dbraw/zinc/41/64/97/626416497.db2.gz WYDJULALHVTQLO-ZIAGYGMSSA-N 1 0 307.434 3.474 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@H](C)[C@H](C)C1=O ZINC000839969692 626562931 /nfs/dbraw/zinc/56/29/31/626562931.db2.gz LTGUHWGPDUAFAO-HOTGVXAUSA-N 1 0 317.477 3.035 20 10 DGCDRO CC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC(F)(F)C1 ZINC000883249529 626623584 /nfs/dbraw/zinc/62/35/84/626623584.db2.gz JERUWIPBYXTSNB-UHFFFAOYSA-N 1 0 310.388 3.048 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1C ZINC000883254899 626625524 /nfs/dbraw/zinc/62/55/24/626625524.db2.gz GEMZJSBSMWFOIP-KRWDZBQOSA-N 1 0 319.445 3.074 20 10 DGCDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000883262612 626628024 /nfs/dbraw/zinc/62/80/24/626628024.db2.gz NYFZKUCCOUDIMF-YEORSEQZSA-N 1 0 316.367 3.286 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)c(O)c1C ZINC000883276455 626633959 /nfs/dbraw/zinc/63/39/59/626633959.db2.gz LGZPHZUKCIHUAE-GDBMZVCRSA-N 1 0 303.402 3.104 20 10 DGCDRO CC[C@@H](NC1(c2ncccn2)CCC1)c1ccc(F)cc1O ZINC000883311514 626642376 /nfs/dbraw/zinc/64/23/76/626642376.db2.gz CGIFJZXFZGTPKP-CQSZACIVSA-N 1 0 301.365 3.441 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@]23CCCO3)ccc1OC ZINC000883370546 626664365 /nfs/dbraw/zinc/66/43/65/626664365.db2.gz NQJUJUOAOPAOQO-MOPGFXCFSA-N 1 0 319.445 3.423 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ccc2ccccc2c1O ZINC000883395648 626671858 /nfs/dbraw/zinc/67/18/58/626671858.db2.gz YVHRHRFTQPVWFD-CJNGLKHVSA-N 1 0 324.424 3.207 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ccc2ccccc2c1O ZINC000883395647 626672028 /nfs/dbraw/zinc/67/20/28/626672028.db2.gz YVHRHRFTQPVWFD-BBRMVZONSA-N 1 0 324.424 3.207 20 10 DGCDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000806169948 626704387 /nfs/dbraw/zinc/70/43/87/626704387.db2.gz MQMHBKHHMNOSLU-GJZGRUSLSA-N 1 0 307.457 3.417 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000028397042 626716391 /nfs/dbraw/zinc/71/63/91/626716391.db2.gz BSAGGLRYMVSSTQ-UHFFFAOYSA-N 1 0 313.401 3.335 20 10 DGCDRO CC[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H]1CCCO1 ZINC000132661543 626732956 /nfs/dbraw/zinc/73/29/56/626732956.db2.gz VYCUGBRSUHZQKM-LBPRGKRZSA-N 1 0 314.223 3.156 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)CCCC2 ZINC000840119978 626772001 /nfs/dbraw/zinc/77/20/01/626772001.db2.gz JVMIQAZNJDEKMW-OTWHNJEPSA-N 1 0 315.457 3.396 20 10 DGCDRO CC(C)CC1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000808231929 626808046 /nfs/dbraw/zinc/80/80/46/626808046.db2.gz ROWQWARTEILUCS-KRWDZBQOSA-N 1 0 319.445 3.466 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(C(N)=O)c2)c1O ZINC000808674739 626848350 /nfs/dbraw/zinc/84/83/50/626848350.db2.gz XNHJUXLDUJFDQF-NSHDSACASA-N 1 0 318.804 3.304 20 10 DGCDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808697806 626850408 /nfs/dbraw/zinc/85/04/08/626850408.db2.gz WATORWZNKLSGCU-GIPNMCIBSA-N 1 0 303.855 3.117 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000808706220 626851674 /nfs/dbraw/zinc/85/16/74/626851674.db2.gz FFOKXCRKBLQJTC-YPMHNXCESA-N 1 0 324.852 3.404 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1O ZINC000808706793 626851872 /nfs/dbraw/zinc/85/18/72/626851872.db2.gz VANTYJJLFCCCMI-MFKMUULPSA-N 1 0 305.809 3.285 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000808719335 626853716 /nfs/dbraw/zinc/85/37/16/626853716.db2.gz VYRSZQBDOMUZQE-PRWKNARSSA-N 1 0 315.866 3.306 20 10 DGCDRO CCC1([NH+]2CCC2)CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000884474883 626886155 /nfs/dbraw/zinc/88/61/55/626886155.db2.gz OXNODKXSZNZSRJ-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO Cc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000809724628 626941913 /nfs/dbraw/zinc/94/19/13/626941913.db2.gz SDBRNNAYCPFWKR-CJNGLKHVSA-N 1 0 308.853 3.413 20 10 DGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2cc(C)ccc2O)o1 ZINC000809735603 626943608 /nfs/dbraw/zinc/94/36/08/626943608.db2.gz LYCBGWVQDATICQ-UHFFFAOYSA-N 1 0 302.418 3.166 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccc(OC)c2O)c(Cl)c1 ZINC000809739998 626944211 /nfs/dbraw/zinc/94/42/11/626944211.db2.gz JSHCGRULZTXWNP-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)c1O ZINC000809739485 626944304 /nfs/dbraw/zinc/94/43/04/626944304.db2.gz MHQVDMIMFONFSM-UHFFFAOYSA-N 1 0 309.369 3.081 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1O ZINC000809739751 626944314 /nfs/dbraw/zinc/94/43/14/626944314.db2.gz CVVJRSVVBXVLPC-UHFFFAOYSA-N 1 0 322.748 3.252 20 10 DGCDRO C[NH+](C)CCN(Cc1ccco1)Cc1cc(Cl)ccc1O ZINC000809746425 626945563 /nfs/dbraw/zinc/94/55/63/626945563.db2.gz RQNQYSPVUGJCPZ-UHFFFAOYSA-N 1 0 308.809 3.202 20 10 DGCDRO CCOc1ccc(C[NH2+]CC[C@H](O)c2ccccc2)c(O)c1 ZINC000809746868 626946118 /nfs/dbraw/zinc/94/61/18/626946118.db2.gz CCLQUUMODNDJCR-KRWDZBQOSA-N 1 0 301.386 3.004 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1O ZINC000809779035 626951210 /nfs/dbraw/zinc/95/12/10/626951210.db2.gz BJXUZFBYFRHFHM-OAHLLOKOSA-N 1 0 305.805 3.220 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1C(C)C ZINC000840187661 626958470 /nfs/dbraw/zinc/95/84/70/626958470.db2.gz WDFDKKSAGCYZIR-MRXNPFEDSA-N 1 0 318.461 3.313 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cc(C4CC4)ccn3)cc2)CC1 ZINC000810175614 626984432 /nfs/dbraw/zinc/98/44/32/626984432.db2.gz PBJSPHWRPLQHLV-UHFFFAOYSA-N 1 0 322.456 3.323 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](COC)OC)c1ccc(C(F)(F)F)cc1O ZINC000810236104 626991173 /nfs/dbraw/zinc/99/11/73/626991173.db2.gz YLQUPXZTWQQQKS-YPMHNXCESA-N 1 0 321.339 3.113 20 10 DGCDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000810257210 626993768 /nfs/dbraw/zinc/99/37/68/626993768.db2.gz NEUPWFWMMJWOKW-WMZOPIPTSA-N 1 0 320.477 3.379 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)Cc1cccnc1[N+](=O)[O-] ZINC000886028763 627087886 /nfs/dbraw/zinc/08/78/86/627087886.db2.gz WFKWDOYXMCAMFG-UHFFFAOYSA-N 1 0 301.346 3.108 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H](OC)CC3)C2)cc1 ZINC000886158008 627115139 /nfs/dbraw/zinc/11/51/39/627115139.db2.gz PMRKMWHYEVBRSH-RYRKJORJSA-N 1 0 318.461 3.211 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cnn(C)c1 ZINC000886518620 627155762 /nfs/dbraw/zinc/15/57/62/627155762.db2.gz AKLLQXYDCIDSNU-QGZVFWFLSA-N 1 0 304.413 3.112 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)ccc1N1CCCCC1 ZINC000886573155 627165880 /nfs/dbraw/zinc/16/58/80/627165880.db2.gz WLIXDDBFYWEVHP-NSHGMRRFSA-N 1 0 314.473 3.188 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2F)c(O)c1 ZINC000886674668 627186977 /nfs/dbraw/zinc/18/69/77/627186977.db2.gz PCOWLWVUEZAESV-HIFRSBDPSA-N 1 0 303.377 3.094 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000886708667 627195639 /nfs/dbraw/zinc/19/56/39/627195639.db2.gz ADYDFCHCGVOOLE-HOTGVXAUSA-N 1 0 319.445 3.409 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCC3)CO2)c1O ZINC000886732777 627198184 /nfs/dbraw/zinc/19/81/84/627198184.db2.gz QQEXUVJWOCFFET-ZIAGYGMSSA-N 1 0 305.418 3.401 20 10 DGCDRO CCCC[C@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747189 627198867 /nfs/dbraw/zinc/19/88/67/627198867.db2.gz NJOFUJQKCUDOIZ-HNNXBMFYSA-N 1 0 317.477 3.057 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c(O)c1 ZINC000886766788 627202085 /nfs/dbraw/zinc/20/20/85/627202085.db2.gz RLZFJKKTACCNTR-IUVQAAGXSA-N 1 0 319.445 3.386 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1O ZINC000886830807 627209425 /nfs/dbraw/zinc/20/94/25/627209425.db2.gz XOJKWCDKRHFEBB-MLGOLLRUSA-N 1 0 323.820 3.249 20 10 DGCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccncc32)[C@H]1[C@H]1CCCO1 ZINC000811776214 627319887 /nfs/dbraw/zinc/31/98/87/627319887.db2.gz LHYWBKQGNGBFRA-MSOLQXFVSA-N 1 0 312.413 3.330 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000812294403 627368245 /nfs/dbraw/zinc/36/82/45/627368245.db2.gz MBIQBQJFVIZVJY-HNNXBMFYSA-N 1 0 315.417 3.039 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000813330906 627478631 /nfs/dbraw/zinc/47/86/31/627478631.db2.gz IVQVLLMMVLETFR-ZDUSSCGKSA-N 1 0 315.417 3.103 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1C ZINC000813790406 627512124 /nfs/dbraw/zinc/51/21/24/627512124.db2.gz ONYKLQQQSUXXPV-UHFFFAOYSA-N 1 0 322.408 3.151 20 10 DGCDRO CC[C@H]1CC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000814179080 627546630 /nfs/dbraw/zinc/54/66/30/627546630.db2.gz PALNDPQCZZPKOK-NSHDSACASA-N 1 0 300.196 3.148 20 10 DGCDRO Cc1ccoc1C[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000814174844 627546723 /nfs/dbraw/zinc/54/67/23/627546723.db2.gz KSASZPOEYSXRLR-UHFFFAOYSA-N 1 0 318.392 3.196 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c(O)c1 ZINC000814171867 627546777 /nfs/dbraw/zinc/54/67/77/627546777.db2.gz XJSYBJISMXGMJI-KRWDZBQOSA-N 1 0 307.434 3.068 20 10 DGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815070936 627622354 /nfs/dbraw/zinc/62/23/54/627622354.db2.gz APJVSZIONUVRRC-VQIMIIECSA-N 1 0 303.494 3.223 20 10 DGCDRO Cc1cc(C[NH2+][C@H](CCO)C2CCCCC2)ccc1N(C)C ZINC000815084288 627624154 /nfs/dbraw/zinc/62/41/54/627624154.db2.gz ZZRICJTYLAQVIA-GOSISDBHSA-N 1 0 304.478 3.482 20 10 DGCDRO Cc1cc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)ccc1N(C)C ZINC000815092700 627625091 /nfs/dbraw/zinc/62/50/91/627625091.db2.gz OQQPTTAOARZCRI-VQIMIIECSA-N 1 0 312.457 3.315 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](CCOC)Cc2ccccn2)cc1 ZINC000815117886 627628936 /nfs/dbraw/zinc/62/89/36/627628936.db2.gz IEZKJAFVOBUWJY-UHFFFAOYSA-N 1 0 313.445 3.186 20 10 DGCDRO CCN(C)c1ccc(CN(C)[C@@H](CC(C)C)C(=O)OC)cc1 ZINC000815121165 627630897 /nfs/dbraw/zinc/63/08/97/627630897.db2.gz ROIIFYSJNPJWKU-KRWDZBQOSA-N 1 0 306.450 3.162 20 10 DGCDRO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000815122874 627631379 /nfs/dbraw/zinc/63/13/79/627631379.db2.gz QJTQQQWGJWMRSR-GDBMZVCRSA-N 1 0 305.418 3.384 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c(O)c1 ZINC000815557468 627684660 /nfs/dbraw/zinc/68/46/60/627684660.db2.gz VMPSYUYEULNMET-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000815633511 627692991 /nfs/dbraw/zinc/69/29/91/627692991.db2.gz PVHRBJUOLKXDHT-DZGCQCFKSA-N 1 0 306.450 3.212 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000815633513 627693649 /nfs/dbraw/zinc/69/36/49/627693649.db2.gz PVHRBJUOLKXDHT-UKRRQHHQSA-N 1 0 306.450 3.212 20 10 DGCDRO CC(C)n1cc([C@@H](C)[NH2+]CCCSc2nccs2)nn1 ZINC000925104366 627708566 /nfs/dbraw/zinc/70/85/66/627708566.db2.gz XSTAWTCHPTXMME-LLVKDONJSA-N 1 0 311.480 3.149 20 10 DGCDRO C[C@H](c1cc(F)ccc1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925755473 627789213 /nfs/dbraw/zinc/78/92/13/627789213.db2.gz WGNIYNHDFGONMR-LLVKDONJSA-N 1 0 302.349 3.069 20 10 DGCDRO CC1CC[NH+](CCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816530677 627803227 /nfs/dbraw/zinc/80/32/27/627803227.db2.gz QIUZDZORUHWNES-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO Oc1c(C[NH2+]C[C@H](O)COc2ccccc2)ccc2ccccc21 ZINC000816532906 627803469 /nfs/dbraw/zinc/80/34/69/627803469.db2.gz AMIYQWVABZVQGB-KRWDZBQOSA-N 1 0 323.392 3.075 20 10 DGCDRO C[NH+](C)CC1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816558075 627807533 /nfs/dbraw/zinc/80/75/33/627807533.db2.gz MCYHTJNAERBRMX-UHFFFAOYSA-N 1 0 314.832 3.395 20 10 DGCDRO Oc1c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)ccc2ccccc21 ZINC000816560253 627808445 /nfs/dbraw/zinc/80/84/45/627808445.db2.gz JLBNYMUHGQCOSL-MRXNPFEDSA-N 1 0 313.397 3.321 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000816647871 627820220 /nfs/dbraw/zinc/82/02/20/627820220.db2.gz ZHCALMXNIDPVJY-KGLIPLIRSA-N 1 0 303.406 3.425 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000816667799 627823118 /nfs/dbraw/zinc/82/31/18/627823118.db2.gz XHQNBFUHIKLJMR-INIZCTEOSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000816720258 627826864 /nfs/dbraw/zinc/82/68/64/627826864.db2.gz ARFNPDINABUMFE-CQSZACIVSA-N 1 0 313.445 3.022 20 10 DGCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000817414075 627896379 /nfs/dbraw/zinc/89/63/79/627896379.db2.gz FUYHFQKBVKWKPY-BXUZGUMPSA-N 1 0 316.367 3.117 20 10 DGCDRO COc1cc([C@H](C)[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)on1 ZINC000926595217 627920002 /nfs/dbraw/zinc/92/00/02/627920002.db2.gz HHTMVBXPGSIQKY-KGLIPLIRSA-N 1 0 317.433 3.339 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1 ZINC000817584935 627926076 /nfs/dbraw/zinc/92/60/76/627926076.db2.gz BDCIVVWDNKEMAH-ZOBUZTSGSA-N 1 0 317.477 3.085 20 10 DGCDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938558 627966720 /nfs/dbraw/zinc/96/67/20/627966720.db2.gz MZMAICANSUOCOG-VQTJNVASSA-N 1 0 309.457 3.338 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000817939096 627967614 /nfs/dbraw/zinc/96/76/14/627967614.db2.gz YVTNBBNCUWOFDW-ACJLOTCBSA-N 1 0 301.409 3.242 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000817938969 627967771 /nfs/dbraw/zinc/96/77/71/627967771.db2.gz WNRRDMUONLWSPB-RTBURBONSA-N 1 0 313.420 3.169 20 10 DGCDRO Cc1cc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cs1 ZINC000817939999 627967778 /nfs/dbraw/zinc/96/77/78/627967778.db2.gz DSRDFWRRSXIWIV-DYVFJYSZSA-N 1 0 303.475 3.473 20 10 DGCDRO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817944048 627969540 /nfs/dbraw/zinc/96/95/40/627969540.db2.gz WZPYLNDFRNLWJP-CZUORRHYSA-N 1 0 309.523 3.262 20 10 DGCDRO CCC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817944101 627969564 /nfs/dbraw/zinc/96/95/64/627969564.db2.gz XHEUYSWYRCETRA-ZWKOTPCHSA-N 1 0 312.461 3.278 20 10 DGCDRO C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817947769 627970896 /nfs/dbraw/zinc/97/08/96/627970896.db2.gz QLPFVOKKEGMYNF-WHXUTIOJSA-N 1 0 302.340 3.332 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817954825 627973165 /nfs/dbraw/zinc/97/31/65/627973165.db2.gz KVMUXBJIKFOINV-GHMZBOCLSA-N 1 0 302.340 3.061 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817954826 627973355 /nfs/dbraw/zinc/97/33/55/627973355.db2.gz KVMUXBJIKFOINV-MNOVXSKESA-N 1 0 302.340 3.061 20 10 DGCDRO COc1cc(C)c([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000817956342 627974170 /nfs/dbraw/zinc/97/41/70/627974170.db2.gz WSGUKQYMXLYPQH-AWEZNQCLSA-N 1 0 314.429 3.488 20 10 DGCDRO COCCOc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817956240 627974292 /nfs/dbraw/zinc/97/42/92/627974292.db2.gz UQVDXXSGECYRDN-HNNXBMFYSA-N 1 0 314.429 3.187 20 10 DGCDRO C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817962468 627976926 /nfs/dbraw/zinc/97/69/26/627976926.db2.gz MSWBHAPUFQCJHW-SFYZADRCSA-N 1 0 321.646 3.054 20 10 DGCDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817967207 627977627 /nfs/dbraw/zinc/97/76/27/627977627.db2.gz FOCKMFTUGGSIET-MPGHIAIKSA-N 1 0 319.468 3.465 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1nc3c(s1)CCC3)CC2 ZINC000926928762 627983288 /nfs/dbraw/zinc/98/32/88/627983288.db2.gz GJBIWUSTMQMVEB-ZDUSSCGKSA-N 1 0 300.427 3.157 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nc3c(s2)CCC3)c1 ZINC000926932337 627984658 /nfs/dbraw/zinc/98/46/58/627984658.db2.gz UWRHBQAOOWUMLO-NSHDSACASA-N 1 0 318.442 3.239 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccncc3)C2)cc1 ZINC000818115752 627997199 /nfs/dbraw/zinc/99/71/99/627997199.db2.gz CKOGOACPBLAUBU-JKSUJKDBSA-N 1 0 311.429 3.267 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000818341665 628015855 /nfs/dbraw/zinc/01/58/55/628015855.db2.gz CMNCCTHUJUWOOP-AWEZNQCLSA-N 1 0 300.446 3.300 20 10 DGCDRO CC[C@@H]([NH2+]Cc1nn(CC)nc1C)c1cc(Cl)ccc1O ZINC000818344275 628016219 /nfs/dbraw/zinc/01/62/19/628016219.db2.gz BGTZHNDQBVKJPB-CYBMUJFWSA-N 1 0 308.813 3.206 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nc3c(s2)COCC3)c(O)c1 ZINC000927116759 628019570 /nfs/dbraw/zinc/01/95/70/628019570.db2.gz IUKLORRUXWIBNV-LBPRGKRZSA-N 1 0 318.442 3.389 20 10 DGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1c([O-])ccc(Cl)c1F)CC[NH2+]CC2 ZINC000818431606 628022390 /nfs/dbraw/zinc/02/23/90/628022390.db2.gz PUJDTCPNTWZPIA-LLVKDONJSA-N 1 0 312.816 3.149 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CC1CCCC1 ZINC000818953310 628065913 /nfs/dbraw/zinc/06/59/13/628065913.db2.gz FZTPCHOMPLGMQV-LJQANCHMSA-N 1 0 302.462 3.318 20 10 DGCDRO CC(C)CC[C@@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964146 628069018 /nfs/dbraw/zinc/06/90/18/628069018.db2.gz MHCXGTRVKSBPEH-GOSISDBHSA-N 1 0 322.518 3.127 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1Cl ZINC000818996951 628075617 /nfs/dbraw/zinc/07/56/17/628075617.db2.gz NGLVYNHMAXDENR-MRXNPFEDSA-N 1 0 321.779 3.237 20 10 DGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCCSc1nccs1 ZINC000819064238 628085358 /nfs/dbraw/zinc/08/53/58/628085358.db2.gz UUPDTJMYMHUHJF-ZFWWWQNUSA-N 1 0 322.499 3.380 20 10 DGCDRO O[C@H](C[NH2+]CCCSc1nccs1)CC1CCCC1 ZINC000819064448 628085681 /nfs/dbraw/zinc/08/56/81/628085681.db2.gz YCWHABGRTKWXMH-ZDUSSCGKSA-N 1 0 300.493 3.156 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1C(C)C ZINC000819894732 628196917 /nfs/dbraw/zinc/19/69/17/628196917.db2.gz AKKAYMJYMDASHY-INIZCTEOSA-N 1 0 314.433 3.253 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1O ZINC000821272778 628352210 /nfs/dbraw/zinc/35/22/10/628352210.db2.gz YQTBFOOFVAENJC-AWEZNQCLSA-N 1 0 314.360 3.118 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]CC3(SC)CCC3)C2)cc1 ZINC000822494065 628457562 /nfs/dbraw/zinc/45/75/62/628457562.db2.gz FMYHFKDCOXHHFJ-HNNXBMFYSA-N 1 0 320.502 3.397 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]CC3(SC)CC3)C2)cc1 ZINC000822493981 628457677 /nfs/dbraw/zinc/45/76/77/628457677.db2.gz CWJWMNHIRFIGRT-CQSZACIVSA-N 1 0 306.475 3.007 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]CC3(SC)CC3)C2)cc1 ZINC000822493979 628457821 /nfs/dbraw/zinc/45/78/21/628457821.db2.gz CWJWMNHIRFIGRT-AWEZNQCLSA-N 1 0 306.475 3.007 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000823671358 628585610 /nfs/dbraw/zinc/58/56/10/628585610.db2.gz MNXJOLXYKPHCDK-KRWDZBQOSA-N 1 0 306.425 3.331 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCN(C)C2)cc1 ZINC000823813254 628598714 /nfs/dbraw/zinc/59/87/14/628598714.db2.gz YEADDTJSXLCQQP-INIZCTEOSA-N 1 0 315.486 3.178 20 10 DGCDRO Cc1cc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)ccc1F ZINC000824548971 628669790 /nfs/dbraw/zinc/66/97/90/628669790.db2.gz UUIGPPLUZZVJDY-LLVKDONJSA-N 1 0 303.333 3.419 20 10 DGCDRO Cc1ncc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1C ZINC000824568146 628671666 /nfs/dbraw/zinc/67/16/66/628671666.db2.gz ZVGZPQNIPOGRJD-UHFFFAOYSA-N 1 0 300.450 3.205 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c(O)c1 ZINC000824589164 628674385 /nfs/dbraw/zinc/67/43/85/628674385.db2.gz BRGDPIQNMNRZQV-GOSISDBHSA-N 1 0 315.413 3.138 20 10 DGCDRO COC[C@@H](C)Oc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000824593633 628674930 /nfs/dbraw/zinc/67/49/30/628674930.db2.gz RHXWJWWEIJDPAY-OAHLLOKOSA-N 1 0 315.413 3.438 20 10 DGCDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824636292 628679525 /nfs/dbraw/zinc/67/95/25/628679525.db2.gz OODMAUSOOCOSBT-IEBWSBKVSA-N 1 0 302.462 3.270 20 10 DGCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC000824819260 628697677 /nfs/dbraw/zinc/69/76/77/628697677.db2.gz MWTDRGPGHRQIJY-CYBMUJFWSA-N 1 0 323.820 3.129 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1O ZINC000824845733 628699251 /nfs/dbraw/zinc/69/92/51/628699251.db2.gz NJVHYYTVHXADHQ-CVEARBPZSA-N 1 0 309.837 3.241 20 10 DGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)[nH]1 ZINC000824933892 628708846 /nfs/dbraw/zinc/70/88/46/628708846.db2.gz KIGOKKOSJGADTM-LBPRGKRZSA-N 1 0 320.824 3.160 20 10 DGCDRO c1cc([C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)CCO2)ccn1 ZINC000824948266 628710277 /nfs/dbraw/zinc/71/02/77/628710277.db2.gz QBORXCSUZYSEEH-HKUYNNGSSA-N 1 0 310.397 3.026 20 10 DGCDRO CCc1nc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)co1 ZINC000825055823 628722500 /nfs/dbraw/zinc/72/25/00/628722500.db2.gz BETLAIVTLAXLSQ-UHFFFAOYSA-N 1 0 315.417 3.004 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1O ZINC000825111375 628729481 /nfs/dbraw/zinc/72/94/81/628729481.db2.gz MWUVMARTYLILNV-LSDHHAIUSA-N 1 0 324.424 3.157 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)cc1C ZINC000825123856 628730476 /nfs/dbraw/zinc/73/04/76/628730476.db2.gz DIVLIPKLQQYDGP-QGZVFWFLSA-N 1 0 322.412 3.049 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)cc1C ZINC000825123855 628730611 /nfs/dbraw/zinc/73/06/11/628730611.db2.gz DIVLIPKLQQYDGP-KRWDZBQOSA-N 1 0 322.412 3.049 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124150 628730625 /nfs/dbraw/zinc/73/06/25/628730625.db2.gz IVXCEYURVVDXKL-NOZJJQNGSA-N 1 0 323.742 3.099 20 10 DGCDRO CCOc1ccc(C[NH2+]CC(C)(C)C2(O)CCCC2)c(O)c1 ZINC000825231718 628740406 /nfs/dbraw/zinc/74/04/06/628740406.db2.gz FHWWIXUZXXIXDL-UHFFFAOYSA-N 1 0 307.434 3.212 20 10 DGCDRO COCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CCCC1 ZINC000825245681 628741846 /nfs/dbraw/zinc/74/18/46/628741846.db2.gz PAFAIXGAKLRDSY-UHFFFAOYSA-N 1 0 313.825 3.351 20 10 DGCDRO Cc1ccc(CC[NH2+]Cc2ccc(Br)cc2O)cn1 ZINC000825283330 628746414 /nfs/dbraw/zinc/74/64/14/628746414.db2.gz JHCKPIMVKAJMQR-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000825299200 628747728 /nfs/dbraw/zinc/74/77/28/628747728.db2.gz FQWFRGGCWSJGKQ-ZIAGYGMSSA-N 1 0 313.825 3.492 20 10 DGCDRO OCC1([C@H]([NH2+]Cc2ccccc2O)c2cccs2)CCC1 ZINC000825311282 628748119 /nfs/dbraw/zinc/74/81/19/628748119.db2.gz IBIDWYXAZNMTDN-MRXNPFEDSA-N 1 0 303.427 3.447 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)c2ccccc2)cc1Cl ZINC000825327512 628750037 /nfs/dbraw/zinc/75/00/37/628750037.db2.gz YGSYXZHZMMZTBS-HNNXBMFYSA-N 1 0 305.805 3.220 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)cc1Cl ZINC000825370125 628754267 /nfs/dbraw/zinc/75/42/67/628754267.db2.gz JLOMUDNOIBMGHH-SUMWQHHRSA-N 1 0 319.832 3.436 20 10 DGCDRO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H](O)C(F)(F)F ZINC000825561708 628773677 /nfs/dbraw/zinc/77/36/77/628773677.db2.gz GIKYTVNMMLTFJA-GFCCVEGCSA-N 1 0 311.731 3.099 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2CCO)c(O)c(C(C)(C)C)c1 ZINC000825566894 628774187 /nfs/dbraw/zinc/77/41/87/628774187.db2.gz BKXIZOOYFJQYBQ-CQSZACIVSA-N 1 0 307.434 3.045 20 10 DGCDRO CCCn1nccc1C[NH2+]Cc1cc(Br)ccc1O ZINC000825893332 628808034 /nfs/dbraw/zinc/80/80/34/628808034.db2.gz WFFWGPJKFWTLMS-UHFFFAOYSA-N 1 0 324.222 3.051 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2c3c(nn2C)CCCC3)cc1Cl ZINC000825955537 628814709 /nfs/dbraw/zinc/81/47/09/628814709.db2.gz NSJIAQVGZQMWMU-UHFFFAOYSA-N 1 0 319.836 3.256 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Cl ZINC000826048665 628823153 /nfs/dbraw/zinc/82/31/53/628823153.db2.gz JSPBXGZXTCHCEB-NUEKZKHPSA-N 1 0 309.837 3.479 20 10 DGCDRO COCC1(C)C[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000826112724 628829574 /nfs/dbraw/zinc/82/95/74/628829574.db2.gz AJYJFCLSOMQOQA-UHFFFAOYSA-N 1 0 307.434 3.167 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H](O)C(C)C ZINC000826120788 628829610 /nfs/dbraw/zinc/82/96/10/628829610.db2.gz JBZRNFZTCFQHOT-OCCSQVGLSA-N 1 0 316.239 3.040 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1Cl ZINC000826121259 628830069 /nfs/dbraw/zinc/83/00/69/628830069.db2.gz OCFIMDAWVVLMRI-CQSZACIVSA-N 1 0 323.795 3.359 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)C2CCC2)c(C(F)(F)F)c1 ZINC000826868057 628897249 /nfs/dbraw/zinc/89/72/49/628897249.db2.gz PBSKJSMTZRAYNG-OAHLLOKOSA-N 1 0 316.367 3.022 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1O ZINC000827319226 628949145 /nfs/dbraw/zinc/94/91/45/628949145.db2.gz AZSXDYXHQLVDQF-AEFFLSMTSA-N 1 0 313.445 3.189 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1F ZINC000827596231 628975325 /nfs/dbraw/zinc/97/53/25/628975325.db2.gz WVBMVRSVMUGGJI-JKSUJKDBSA-N 1 0 306.425 3.140 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H](OC)C2CCCCC2)cc1OC ZINC000827673873 628982230 /nfs/dbraw/zinc/98/22/30/628982230.db2.gz HXXNELYPBUIOQB-GOSISDBHSA-N 1 0 323.433 3.094 20 10 DGCDRO CCOc1cccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1O ZINC000827849979 628997169 /nfs/dbraw/zinc/99/71/69/628997169.db2.gz KYBMILZTFIEFEP-KDURUIRLSA-N 1 0 317.429 3.184 20 10 DGCDRO COCC1([NH2+]Cc2cc(Cl)cc(OC)c2O)CCCCC1 ZINC000827933892 629004976 /nfs/dbraw/zinc/00/49/76/629004976.db2.gz DUZAYYCDSQHGKA-UHFFFAOYSA-N 1 0 313.825 3.493 20 10 DGCDRO C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1O ZINC000827941163 629006045 /nfs/dbraw/zinc/00/60/45/629006045.db2.gz OHSGJPOHDMEEOK-CQSZACIVSA-N 1 0 304.434 3.224 20 10 DGCDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828384218 629049782 /nfs/dbraw/zinc/04/97/82/629049782.db2.gz FJFCRWTUAYJLGB-UHFFFAOYSA-N 1 0 318.461 3.417 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c1 ZINC000828681885 629082212 /nfs/dbraw/zinc/08/22/12/629082212.db2.gz HKAHINNRLDDOKV-TYILLQQXSA-N 1 0 315.413 3.216 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c(C)c1)C1CC1 ZINC000828721864 629085153 /nfs/dbraw/zinc/08/51/53/629085153.db2.gz HKRMVHSIMMEJEG-SFHVURJKSA-N 1 0 302.462 3.500 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)ccc1N(C)C ZINC000828910097 629108452 /nfs/dbraw/zinc/10/84/52/629108452.db2.gz CNIIEXLQEQSRCI-MJGOQNOKSA-N 1 0 302.462 3.452 20 10 DGCDRO Cc1cc(C[NH2+][C@H]2CCOC[C@H]2C)ccc1N1CCCCC1 ZINC000829244337 629144297 /nfs/dbraw/zinc/14/42/97/629144297.db2.gz WMUBNPZUFKRKBX-AEFFLSMTSA-N 1 0 302.462 3.500 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1O ZINC000830617666 629288101 /nfs/dbraw/zinc/28/81/01/629288101.db2.gz QWEOATRGANOOJC-GFCCVEGCSA-N 1 0 321.392 3.125 20 10 DGCDRO COc1ccc(OCCC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000834530303 629721401 /nfs/dbraw/zinc/72/14/01/629721401.db2.gz FBOQVZKTEATPKE-KRWDZBQOSA-N 1 0 313.397 3.447 20 10 DGCDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000834575973 629732614 /nfs/dbraw/zinc/73/26/14/629732614.db2.gz QPEYPWICVPEWBN-QGZVFWFLSA-N 1 0 324.472 3.434 20 10 DGCDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCCN1c1ccccc1 ZINC000834585109 629734775 /nfs/dbraw/zinc/73/47/75/629734775.db2.gz GCTHWKKNVCXXMM-IAGOWNOFSA-N 1 0 322.408 3.165 20 10 DGCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCCSc1nccs1 ZINC000834594958 629737850 /nfs/dbraw/zinc/73/78/50/629737850.db2.gz UGWOJKMDTARVOB-CYBMUJFWSA-N 1 0 310.492 3.136 20 10 DGCDRO Cc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2=O)cc1 ZINC000834668241 629752562 /nfs/dbraw/zinc/75/25/62/629752562.db2.gz IXTNSKFOMBTWNA-IAGOWNOFSA-N 1 0 322.408 3.083 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1COc3ccccc3O1)CC2 ZINC000834685513 629756926 /nfs/dbraw/zinc/75/69/26/629756926.db2.gz YNXJNBFIANJURI-HUUCEWRRSA-N 1 0 311.381 3.199 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H]3SCCS[C@H]13)CC2 ZINC000834697186 629760552 /nfs/dbraw/zinc/76/05/52/629760552.db2.gz HBUUCTSCBAYXJN-ZNEHSRBWSA-N 1 0 307.484 3.349 20 10 DGCDRO Cn1nc(CC[NH2+][C@H]2CCc3cccc(O)c32)c2ccccc21 ZINC000834770024 629776816 /nfs/dbraw/zinc/77/68/16/629776816.db2.gz RTRIAZUJUFOJQU-INIZCTEOSA-N 1 0 307.397 3.099 20 10 DGCDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCc3cccc(O)c31)CC2 ZINC000834783938 629779465 /nfs/dbraw/zinc/77/94/65/629779465.db2.gz PKBCQNAIHZEFOI-HZPDHXFCSA-N 1 0 311.429 3.304 20 10 DGCDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CCc3cccc(O)c31)CC2 ZINC000834783934 629779909 /nfs/dbraw/zinc/77/99/09/629779909.db2.gz PKBCQNAIHZEFOI-CVEARBPZSA-N 1 0 311.429 3.304 20 10 DGCDRO CCN(CC[NH2+][C@H]1CCc2cccc(O)c21)CCC(F)(F)F ZINC000834783308 629779912 /nfs/dbraw/zinc/77/99/12/629779912.db2.gz FGNFFQUARCSRNA-ZDUSSCGKSA-N 1 0 316.367 3.243 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cc(Br)ccc1O ZINC000834875036 629794887 /nfs/dbraw/zinc/79/48/87/629794887.db2.gz KMMGERBPEKWNDJ-NOZJJQNGSA-N 1 0 314.223 3.373 20 10 DGCDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000834880783 629795988 /nfs/dbraw/zinc/79/59/88/629795988.db2.gz QUPWUFYQTCFZAS-LALPHHSUSA-N 1 0 313.825 3.056 20 10 DGCDRO C[C@H]([NH2+]CC1(CF)CCOCC1)c1cc(Cl)ccc1O ZINC000834884941 629797144 /nfs/dbraw/zinc/79/71/44/629797144.db2.gz FJZVZBBQEBSHMG-NSHDSACASA-N 1 0 301.789 3.463 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000834895632 629800400 /nfs/dbraw/zinc/80/04/00/629800400.db2.gz CKMCHVRHOYFPNP-KBXCAEBGSA-N 1 0 300.450 3.158 20 10 DGCDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834898855 629801952 /nfs/dbraw/zinc/80/19/52/629801952.db2.gz HHYOTVMNZSBJMQ-CVEARBPZSA-N 1 0 317.477 3.242 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834906279 629804629 /nfs/dbraw/zinc/80/46/29/629804629.db2.gz NZBCARKMDRARDU-JQFCIGGWSA-N 1 0 318.436 3.359 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cc(Br)ccc1O ZINC000834906241 629805063 /nfs/dbraw/zinc/80/50/63/629805063.db2.gz YQBWXXXJQZJRDR-NOZJJQNGSA-N 1 0 314.223 3.230 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000835025808 629827439 /nfs/dbraw/zinc/82/74/39/629827439.db2.gz NPLVQYMPIUPLEF-RCFWFJCLSA-N 1 0 310.445 3.369 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000835029572 629829090 /nfs/dbraw/zinc/82/90/90/629829090.db2.gz RKSWMYYAVUROTM-TUOCYHOTSA-N 1 0 300.446 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000835032422 629829748 /nfs/dbraw/zinc/82/97/48/629829748.db2.gz BZFREGNEGVZSRX-PLNGDYQASA-N 1 0 324.424 3.327 20 10 DGCDRO Cc1nccn1C[C@@H](C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035520 629830267 /nfs/dbraw/zinc/83/02/67/629830267.db2.gz IVWCBYFTQRORQC-KJPDOMRESA-N 1 0 312.461 3.197 20 10 DGCDRO CC[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCCC1 ZINC000835035930 629830316 /nfs/dbraw/zinc/83/03/16/629830316.db2.gz LQGOQYRKMCJNLK-JTHGQSKGSA-N 1 0 301.478 3.230 20 10 DGCDRO Cc1nc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)cs1 ZINC000835037323 629831204 /nfs/dbraw/zinc/83/12/04/629831204.db2.gz VBSGZLCLSSDTAA-PLNGDYQASA-N 1 0 301.459 3.363 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2cn3ccccc3n2)cc1 ZINC000835043070 629832674 /nfs/dbraw/zinc/83/26/74/629832674.db2.gz OXWQSZJCUSHZJK-WAYWQWQTSA-N 1 0 320.440 3.246 20 10 DGCDRO Cc1ccccc1[C@@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042089 629832692 /nfs/dbraw/zinc/83/26/92/629832692.db2.gz GPWCQXMRAYUWFH-LQOHYYORSA-N 1 0 310.441 3.397 20 10 DGCDRO CCOc1ncccc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042247 629832813 /nfs/dbraw/zinc/83/28/13/629832813.db2.gz FVXWCCXGWZDGPT-ALCCZGGFSA-N 1 0 311.429 3.349 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(CO)CCCCC2)cc1 ZINC000835043333 629833173 /nfs/dbraw/zinc/83/31/73/629833173.db2.gz OZAVSPWSSMQQTI-VOTSOKGWSA-N 1 0 302.462 3.298 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000835045860 629833769 /nfs/dbraw/zinc/83/37/69/629833769.db2.gz DXTJIUVDJCYQKE-CWIOURORSA-N 1 0 302.443 3.151 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000835054899 629838827 /nfs/dbraw/zinc/83/88/27/629838827.db2.gz MYRQVTMJTXGGFD-SIEMBAAWSA-N 1 0 300.446 3.268 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000835054661 629839085 /nfs/dbraw/zinc/83/90/85/629839085.db2.gz LZCBAWLLDHLVDS-QWNKOJSDSA-N 1 0 302.462 3.249 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055819 629839415 /nfs/dbraw/zinc/83/94/15/629839415.db2.gz ZRCWNFZVZGLUHF-IBQUMJASSA-N 1 0 316.445 3.087 20 10 DGCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)O1 ZINC000835085980 629847527 /nfs/dbraw/zinc/84/75/27/629847527.db2.gz DCBLMBKEYLNRNJ-FZMZJTMJSA-N 1 0 316.367 3.429 20 10 DGCDRO COc1ccc(C[C@@H](C)[NH2+]CCCSc2nccs2)cn1 ZINC000840723492 630352447 /nfs/dbraw/zinc/35/24/47/630352447.db2.gz PMYOTZAIWMDMNA-GFCCVEGCSA-N 1 0 323.487 3.250 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000840818048 630362224 /nfs/dbraw/zinc/36/22/24/630362224.db2.gz GIEFTOGEIWLNRF-QNDJGXFYSA-N 1 0 300.446 3.362 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000840854621 630367304 /nfs/dbraw/zinc/36/73/04/630367304.db2.gz FEZYYYNIMIGWMM-NFAWXSAZSA-N 1 0 324.465 3.207 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H](C)O[C@@H]3C)CC2)cc1 ZINC000840872326 630370333 /nfs/dbraw/zinc/37/03/33/630370333.db2.gz KNKZXJBVEMUSHJ-XHSDSOJGSA-N 1 0 318.461 3.067 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCN2Cc3ccccc3C2)c(Cl)c1 ZINC000840885746 630372159 /nfs/dbraw/zinc/37/21/59/630372159.db2.gz GYYDXBLXDKXOPK-UHFFFAOYSA-N 1 0 316.832 3.459 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)Cc2ccccc2)c(Cl)c1 ZINC000840884718 630372176 /nfs/dbraw/zinc/37/21/76/630372176.db2.gz PYKJLIOGJXJNRP-HNNXBMFYSA-N 1 0 319.832 3.295 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c(Cl)c1 ZINC000840884850 630372451 /nfs/dbraw/zinc/37/24/51/630372451.db2.gz REJWAMGPCIRZJG-DLBZAZTESA-N 1 0 303.789 3.102 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000840893520 630373614 /nfs/dbraw/zinc/37/36/14/630373614.db2.gz KHSBBZAMPSWITN-ULQDDVLXSA-N 1 0 304.478 3.397 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1 ZINC000840892794 630373850 /nfs/dbraw/zinc/37/38/50/630373850.db2.gz DEYZJTAKCSDNMA-SUMDDJOVSA-N 1 0 304.478 3.397 20 10 DGCDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)n(C)n1 ZINC000840895542 630374236 /nfs/dbraw/zinc/37/42/36/630374236.db2.gz ZSPMJUNRYZYCSF-GOEBONIOSA-N 1 0 314.477 3.385 20 10 DGCDRO Cc1nccn1CCCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840898412 630374438 /nfs/dbraw/zinc/37/44/38/630374438.db2.gz DSNRMFSCXJBMAW-UHFFFAOYSA-N 1 0 307.825 3.429 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC(=O)N(C)C2CCCCC2)c(Cl)c1 ZINC000840903144 630375114 /nfs/dbraw/zinc/37/51/14/630375114.db2.gz XPDFIRCIKYHGSB-UHFFFAOYSA-N 1 0 324.852 3.235 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000840910576 630376656 /nfs/dbraw/zinc/37/66/56/630376656.db2.gz JRIMJGRNSMSPDE-AWEZNQCLSA-N 1 0 308.853 3.414 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(Cl)c1 ZINC000840923297 630379017 /nfs/dbraw/zinc/37/90/17/630379017.db2.gz SALKZICBNCIJRA-HIFRSBDPSA-N 1 0 313.850 3.060 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(Cl)c1 ZINC000840923295 630379135 /nfs/dbraw/zinc/37/91/35/630379135.db2.gz SALKZICBNCIJRA-DZGCQCFKSA-N 1 0 313.850 3.060 20 10 DGCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840940224 630381388 /nfs/dbraw/zinc/38/13/88/630381388.db2.gz WFWAKVHDQYTIFG-IBGZPJMESA-N 1 0 312.457 3.063 20 10 DGCDRO CO[C@@H](CC[NH2+]Cc1c(O)cc(C)cc1Cl)C(F)(F)F ZINC000840938877 630381467 /nfs/dbraw/zinc/38/14/67/630381467.db2.gz IZEOJXGDDAUPJM-LBPRGKRZSA-N 1 0 311.731 3.411 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000840942315 630381800 /nfs/dbraw/zinc/38/18/00/630381800.db2.gz YYTYEDBSYMBMQJ-AWEZNQCLSA-N 1 0 321.465 3.064 20 10 DGCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)c1 ZINC000840947795 630382565 /nfs/dbraw/zinc/38/25/65/630382565.db2.gz MIUVCEPQCCNYGH-CYBMUJFWSA-N 1 0 305.809 3.306 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CC=C(c3ccnn3C)CC2)c(Cl)c1 ZINC000840948765 630382923 /nfs/dbraw/zinc/38/29/23/630382923.db2.gz ZHOSNFYWHKSUQQ-UHFFFAOYSA-N 1 0 317.820 3.377 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000840953010 630383661 /nfs/dbraw/zinc/38/36/61/630383661.db2.gz KNBUTVCYEMHUJC-UHFFFAOYSA-N 1 0 321.465 3.018 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000840949588 630383684 /nfs/dbraw/zinc/38/36/84/630383684.db2.gz YPOKIXQIHNRRMH-RBUKOAKNSA-N 1 0 300.446 3.204 20 10 DGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000840956061 630383941 /nfs/dbraw/zinc/38/39/41/630383941.db2.gz IMNRTCNFDHKZBK-WBVHZDCISA-N 1 0 303.789 3.448 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840956151 630385080 /nfs/dbraw/zinc/38/50/80/630385080.db2.gz HJOQFQOCQJZHDN-HZPDHXFCSA-N 1 0 303.789 3.354 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1O ZINC000840960910 630386043 /nfs/dbraw/zinc/38/60/43/630386043.db2.gz NUFOFFIVFBKRLX-HWPZZCPQSA-N 1 0 313.825 3.347 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H](C)CC(F)(F)F)cc1OC ZINC000840964631 630387446 /nfs/dbraw/zinc/38/74/46/630387446.db2.gz TVVDDHLCODSHEK-VIFPVBQESA-N 1 0 307.312 3.088 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1CC1(F)F ZINC000840968843 630388037 /nfs/dbraw/zinc/38/80/37/630388037.db2.gz VLCIHPDWHQJUQL-XVKPBYJWSA-N 1 0 306.150 3.288 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](O)C(C)C ZINC000840967388 630388339 /nfs/dbraw/zinc/38/83/39/630388339.db2.gz MDVPIHLDKGKQGV-TZMCWYRMSA-N 1 0 316.239 3.040 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@H]1CC1(F)F ZINC000840968839 630388381 /nfs/dbraw/zinc/38/83/81/630388381.db2.gz VLCIHPDWHQJUQL-OIBJUYFYSA-N 1 0 306.150 3.288 20 10 DGCDRO COC1([C@H](C)[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000840970889 630389007 /nfs/dbraw/zinc/38/90/07/630389007.db2.gz ZIDHWVVUQOPQGQ-JTQLQIEISA-N 1 0 314.223 3.202 20 10 DGCDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000840973599 630389349 /nfs/dbraw/zinc/38/93/49/630389349.db2.gz QYVRTYRFANQXLV-GUYCJALGSA-N 1 0 301.361 3.433 20 10 DGCDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000840978135 630390087 /nfs/dbraw/zinc/39/00/87/630390087.db2.gz LKEMROZDUMYQNJ-SJLPKXTDSA-N 1 0 302.462 3.270 20 10 DGCDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCc1ccc(N)cc1 ZINC000841034200 630398940 /nfs/dbraw/zinc/39/89/40/630398940.db2.gz GNQBCSPRSAIKEL-CQSZACIVSA-N 1 0 312.413 3.151 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1OC(F)F ZINC000841037830 630399988 /nfs/dbraw/zinc/39/99/88/630399988.db2.gz YFPRNLKOZXNNAY-UHFFFAOYSA-N 1 0 322.355 3.211 20 10 DGCDRO Oc1c(F)cc(Cl)cc1CN1CC[NH2+]Cc2ccccc21 ZINC000841035257 630400013 /nfs/dbraw/zinc/40/00/13/630400013.db2.gz JKWHUSRVCZGTEQ-UHFFFAOYSA-N 1 0 306.768 3.295 20 10 DGCDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841041749 630400580 /nfs/dbraw/zinc/40/05/80/630400580.db2.gz BHCCLTBHSFSHTQ-JXFKEZNVSA-N 1 0 311.473 3.282 20 10 DGCDRO CCOCc1cc(CNCC2([NH3+])CCCCCC2)ccc1OC ZINC000841043397 630400962 /nfs/dbraw/zinc/40/09/62/630400962.db2.gz PXCSRJOXDPFICC-UHFFFAOYSA-N 1 0 320.477 3.373 20 10 DGCDRO C[C@H](C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000841042738 630401285 /nfs/dbraw/zinc/40/12/85/630401285.db2.gz NCJUYZMWKSZEES-AUUYWEPGSA-N 1 0 315.436 3.285 20 10 DGCDRO C[C@H](CCC(F)(F)F)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044982 630401428 /nfs/dbraw/zinc/40/14/28/630401428.db2.gz HEKMDTAZKHJNJD-RISCZKNCSA-N 1 0 303.372 3.073 20 10 DGCDRO CC(C)c1cnc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841046108 630402071 /nfs/dbraw/zinc/40/20/71/630402071.db2.gz WFZJJHZRRUOXQB-OAHLLOKOSA-N 1 0 318.490 3.122 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841068080 630404233 /nfs/dbraw/zinc/40/42/33/630404233.db2.gz UNIIMBAXGBBPLF-FQEVSTJZSA-N 1 0 309.457 3.038 20 10 DGCDRO Cc1cc(Cl)cc(CNc2ccc3c(c2)C[NH2+]CCO3)c1O ZINC000841080460 630405608 /nfs/dbraw/zinc/40/56/08/630405608.db2.gz DJOAWEKVYKOLAP-UHFFFAOYSA-N 1 0 318.804 3.448 20 10 DGCDRO [NH3+][C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1c1ccccc1F ZINC000841104521 630408693 /nfs/dbraw/zinc/40/86/93/630408693.db2.gz UDNHQPWMOGQAAY-BLLLJJGKSA-N 1 0 320.795 3.111 20 10 DGCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841301772 630425434 /nfs/dbraw/zinc/42/54/34/630425434.db2.gz YMOHDFFYVMIJBQ-KBPBESRZSA-N 1 0 318.465 3.147 20 10 DGCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841301406 630425459 /nfs/dbraw/zinc/42/54/59/630425459.db2.gz NYKIPSDVMQPWHV-KBXCAEBGSA-N 1 0 324.428 3.226 20 10 DGCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841301774 630425579 /nfs/dbraw/zinc/42/55/79/630425579.db2.gz YMOHDFFYVMIJBQ-ZIAGYGMSSA-N 1 0 318.465 3.147 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(Cl)cc1O ZINC000841748034 630461701 /nfs/dbraw/zinc/46/17/01/630461701.db2.gz GPLPMKLLCAMGGS-OCCSQVGLSA-N 1 0 317.820 3.370 20 10 DGCDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(=O)N1CCCC1 ZINC000841750660 630461894 /nfs/dbraw/zinc/46/18/94/630461894.db2.gz ZOHHYQZRISSXDS-WBMJQRKESA-N 1 0 324.852 3.343 20 10 DGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(Cl)cc1O ZINC000841752964 630462558 /nfs/dbraw/zinc/46/25/58/630462558.db2.gz DGTCMOCQPXHQEQ-NCAQKEMTSA-N 1 0 319.788 3.191 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC(OC3CCC3)CC2)c1O ZINC000841888685 630473134 /nfs/dbraw/zinc/47/31/34/630473134.db2.gz NFYCTGMMXVHRAC-UHFFFAOYSA-N 1 0 305.418 3.324 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)CC2CCCCC2)c1 ZINC000841893175 630473984 /nfs/dbraw/zinc/47/39/84/630473984.db2.gz FWFVKXBIRDVULK-INIZCTEOSA-N 1 0 307.434 3.212 20 10 DGCDRO CCOc1ccc(O)c(CN(C)C(C)(C)C[NH+]2CCCC2)c1 ZINC000841893076 630474048 /nfs/dbraw/zinc/47/40/48/630474048.db2.gz DOHSEGNNRQSEJK-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC([NH3+])(CC)CC ZINC000841951140 630476438 /nfs/dbraw/zinc/47/64/38/630476438.db2.gz FLLBZZUTQODUDR-UHFFFAOYSA-N 1 0 321.465 3.221 20 10 DGCDRO CO[C@@H](CC(C)C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842151533 630498806 /nfs/dbraw/zinc/49/88/06/630498806.db2.gz CAIRSNLPGXEIHU-ROUUACIJSA-N 1 0 321.461 3.434 20 10 DGCDRO COc1ccc([C@H](C[NH3+])CN(C)c2ccc(OC)c(F)c2)cc1 ZINC000842473482 630539773 /nfs/dbraw/zinc/53/97/73/630539773.db2.gz VOVZBXBPVUFFQZ-CQSZACIVSA-N 1 0 318.392 3.022 20 10 DGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000842612761 630553680 /nfs/dbraw/zinc/55/36/80/630553680.db2.gz NRIXUAFFMPYMCJ-OAHLLOKOSA-N 1 0 307.434 3.395 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CC2(CCCC2)O1 ZINC000842644660 630557720 /nfs/dbraw/zinc/55/77/20/630557720.db2.gz HBXXMIJJAALQPY-CQSZACIVSA-N 1 0 312.413 3.474 20 10 DGCDRO CC(C)Cn1nccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000842700028 630565207 /nfs/dbraw/zinc/56/52/07/630565207.db2.gz UIJAYXIVLTWILL-HNNXBMFYSA-N 1 0 300.450 3.456 20 10 DGCDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000842753748 630572027 /nfs/dbraw/zinc/57/20/27/630572027.db2.gz IXLWSRHKYVISIJ-GXFFZTMASA-N 1 0 316.239 3.041 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CCO)c2ccccc2F)cc1C ZINC000842762165 630572868 /nfs/dbraw/zinc/57/28/68/630572868.db2.gz BFOVPLAVCBRSDL-KRWDZBQOSA-N 1 0 303.377 3.356 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000842783991 630576036 /nfs/dbraw/zinc/57/60/36/630576036.db2.gz KHHGAPWPIFRXML-JKSUJKDBSA-N 1 0 318.461 3.353 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(Cl)cc1O ZINC000842881976 630589070 /nfs/dbraw/zinc/58/90/70/630589070.db2.gz MWAXBKZGDOJDHS-GXFFZTMASA-N 1 0 310.825 3.096 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c(O)c1C ZINC000842884869 630589577 /nfs/dbraw/zinc/58/95/77/630589577.db2.gz LJJHITDTZFEOLZ-UKRRQHHQSA-N 1 0 304.434 3.059 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000842926898 630594567 /nfs/dbraw/zinc/59/45/67/630594567.db2.gz AVYOJJGSRFBQHI-ZENOOKHLSA-N 1 0 324.465 3.207 20 10 DGCDRO COc1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1OC ZINC000843057121 630609570 /nfs/dbraw/zinc/60/95/70/630609570.db2.gz CEYJRMJBUYLSOG-UHFFFAOYSA-N 1 0 312.413 3.115 20 10 DGCDRO Cc1cc([N+](=O)[O-])ccc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057435 630609605 /nfs/dbraw/zinc/60/96/05/630609605.db2.gz DIWGEWZSZHATCO-UHFFFAOYSA-N 1 0 311.385 3.315 20 10 DGCDRO CC(=O)Nc1ccccc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057957 630610190 /nfs/dbraw/zinc/61/01/90/630610190.db2.gz INPCQEBPWPNIEO-UHFFFAOYSA-N 1 0 309.413 3.057 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843124629 630616309 /nfs/dbraw/zinc/61/63/09/630616309.db2.gz DQDSIGPUJYVFNU-RYUDHWBXSA-N 1 0 312.816 3.006 20 10 DGCDRO CCC[NH+](CCC)CCCc1nc(Cc2ccc(N)cc2)no1 ZINC000843161912 630624015 /nfs/dbraw/zinc/62/40/15/630624015.db2.gz QWYSXZSJPOZHHU-UHFFFAOYSA-N 1 0 316.449 3.297 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C/C2CCCCC2)cc1 ZINC000843296906 630643536 /nfs/dbraw/zinc/64/35/36/630643536.db2.gz COPOXDPIYWTRIJ-INMULRNOSA-N 1 0 315.461 3.005 20 10 DGCDRO CCCC[C@@H](CC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299832 630643646 /nfs/dbraw/zinc/64/36/46/630643646.db2.gz XGBHRFMGYAOBLP-PBHICJAKSA-N 1 0 305.466 3.085 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCc1ccc([N+](=O)[O-])cc1 ZINC000843349800 630648773 /nfs/dbraw/zinc/64/87/73/630648773.db2.gz DDLZWKDCGKBXFT-UHFFFAOYSA-N 1 0 311.385 3.049 20 10 DGCDRO Cc1cc(C)cc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350806 630648993 /nfs/dbraw/zinc/64/89/93/630648993.db2.gz YZJQLAWJXJLAKP-UHFFFAOYSA-N 1 0 323.440 3.153 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000843417776 630654259 /nfs/dbraw/zinc/65/42/59/630654259.db2.gz KRPQCZCRHLKUJJ-ZDUSSCGKSA-N 1 0 305.374 3.174 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@H]2CSc3ccccc3O2)c1O ZINC000843417300 630654393 /nfs/dbraw/zinc/65/43/93/630654393.db2.gz ADJLHGRVAUEWIW-CQSZACIVSA-N 1 0 301.411 3.344 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H]2CSc3ccccc3O2)c1O ZINC000843417299 630654399 /nfs/dbraw/zinc/65/43/99/630654399.db2.gz ADJLHGRVAUEWIW-AWEZNQCLSA-N 1 0 301.411 3.344 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000843415786 630654496 /nfs/dbraw/zinc/65/44/96/630654496.db2.gz KMBNGLKIPLXOLU-SFHVURJKSA-N 1 0 313.397 3.444 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CSc3ccccc3O2)c1 ZINC000843418738 630654886 /nfs/dbraw/zinc/65/48/86/630654886.db2.gz XQJRQRLNSLBTJW-CQSZACIVSA-N 1 0 317.410 3.044 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843506572 630663600 /nfs/dbraw/zinc/66/36/00/630663600.db2.gz ZELXKPIMRQWLQZ-NEPJUHHUSA-N 1 0 317.408 3.089 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CC[C@@H]2CCCCO2)cc1 ZINC000844401102 630724767 /nfs/dbraw/zinc/72/47/67/630724767.db2.gz KHLXOYBLTRMNEN-SFHVURJKSA-N 1 0 306.450 3.022 20 10 DGCDRO COc1cccc(C[NH2+]CC[C@H]2CCc3ccccc3N2)c1O ZINC000844905094 630973084 /nfs/dbraw/zinc/97/30/84/630973084.db2.gz VIYZOXVZXIUUEO-MRXNPFEDSA-N 1 0 312.413 3.307 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnn2CC(C)C)c1 ZINC000845970597 631204022 /nfs/dbraw/zinc/20/40/22/631204022.db2.gz ACRXFJYKUXYFNC-CYBMUJFWSA-N 1 0 303.406 3.104 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C(C)(C)C)nc2)c1 ZINC000845970844 631204152 /nfs/dbraw/zinc/20/41/52/631204152.db2.gz DCYMMKLWSBLPJO-GFCCVEGCSA-N 1 0 315.417 3.339 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1O ZINC000845972619 631204294 /nfs/dbraw/zinc/20/42/94/631204294.db2.gz PWNBZQXAOQKTFN-LBPRGKRZSA-N 1 0 317.385 3.356 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c(O)c1 ZINC000845972649 631204333 /nfs/dbraw/zinc/20/43/33/631204333.db2.gz QQLABBUKOAWUQY-LBPRGKRZSA-N 1 0 317.385 3.356 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(C(=O)OC)c(C)n1C)c1ccccc1O ZINC000845992859 631204914 /nfs/dbraw/zinc/20/49/14/631204914.db2.gz RZKCAMIRHOUXAM-INIZCTEOSA-N 1 0 316.401 3.067 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC23CCCC3)ccc1N1CCOCC1 ZINC000845999456 631205280 /nfs/dbraw/zinc/20/52/80/631205280.db2.gz JQQPHHSIEHEMCO-UHFFFAOYSA-N 1 0 304.409 3.181 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1F ZINC000846015190 631205941 /nfs/dbraw/zinc/20/59/41/631205941.db2.gz BTCGZRIRCPIUIN-SCLBCKFNSA-N 1 0 302.393 3.103 20 10 DGCDRO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1F ZINC000846015186 631206130 /nfs/dbraw/zinc/20/61/30/631206130.db2.gz BTCGZRIRCPIUIN-FZKQIMNGSA-N 1 0 302.393 3.103 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@@](C)(O)c1ccccc1 ZINC000846043060 631207884 /nfs/dbraw/zinc/20/78/84/631207884.db2.gz JIJFZTRUGODAHK-OXJNMPFZSA-N 1 0 312.457 3.447 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@](C)(O)c1ccccc1 ZINC000846043062 631207893 /nfs/dbraw/zinc/20/78/93/631207893.db2.gz JIJFZTRUGODAHK-UZLBHIALSA-N 1 0 312.457 3.447 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)c1 ZINC000846100181 631209421 /nfs/dbraw/zinc/20/94/21/631209421.db2.gz KHUUPZSPOBFOBS-UHFFFAOYSA-N 1 0 301.386 3.262 20 10 DGCDRO COc1ccc(CC[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846138518 631211350 /nfs/dbraw/zinc/21/13/50/631211350.db2.gz TZHWCBOFNCBLLN-ZDUSSCGKSA-N 1 0 301.386 3.303 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)c1O ZINC000846142443 631211604 /nfs/dbraw/zinc/21/16/04/631211604.db2.gz TYALOPRHBHETEN-CYBMUJFWSA-N 1 0 304.434 3.068 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1O ZINC000846144250 631211865 /nfs/dbraw/zinc/21/18/65/631211865.db2.gz GQICSAIUGPXRQG-LBPRGKRZSA-N 1 0 316.357 3.202 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1O ZINC000846146949 631211995 /nfs/dbraw/zinc/21/19/95/631211995.db2.gz SYKQNQUHPWQDLP-ZBFHGGJFSA-N 1 0 315.413 3.218 20 10 DGCDRO COc1ccc(CC[NH2+][C@@H](C)c2cccc(OC)c2O)cc1F ZINC000846146042 631212084 /nfs/dbraw/zinc/21/20/84/631212084.db2.gz PHHILDADLFNOIX-LBPRGKRZSA-N 1 0 319.376 3.442 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2cccc(F)c2)c1O ZINC000846148070 631212168 /nfs/dbraw/zinc/21/21/68/631212168.db2.gz ZHKSVOWZYWCTLA-GFCCVEGCSA-N 1 0 305.349 3.270 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c1O ZINC000846157116 631212594 /nfs/dbraw/zinc/21/25/94/631212594.db2.gz AIQFOCRJWJLODR-KBPBESRZSA-N 1 0 321.417 3.127 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c1O ZINC000846159532 631212760 /nfs/dbraw/zinc/21/27/60/631212760.db2.gz PYAZUFMBYSYEHZ-GFCCVEGCSA-N 1 0 317.433 3.035 20 10 DGCDRO COCC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccco1 ZINC000846166494 631213158 /nfs/dbraw/zinc/21/31/58/631213158.db2.gz XWJFIUSIAHFIQQ-JSGCOSHPSA-N 1 0 305.374 3.422 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1O ZINC000846169554 631213335 /nfs/dbraw/zinc/21/33/35/631213335.db2.gz FEBIWLGPNUCOOB-DCGLDWPTSA-N 1 0 301.386 3.174 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)c1O ZINC000846168251 631213337 /nfs/dbraw/zinc/21/33/37/631213337.db2.gz RNMBHDYGFCQUBJ-WLYUNCDWSA-N 1 0 304.434 3.068 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CCO)c2ccccc2F)c1O ZINC000846175147 631213439 /nfs/dbraw/zinc/21/34/39/631213439.db2.gz XFEQSVWBKVQCOD-WBMJQRKESA-N 1 0 319.376 3.314 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)CC2CCCCC2)c1O ZINC000846171158 631213567 /nfs/dbraw/zinc/21/35/67/631213567.db2.gz DUPIAPXUEUZNBC-HIFRSBDPSA-N 1 0 307.434 3.383 20 10 DGCDRO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1F ZINC000846185116 631214199 /nfs/dbraw/zinc/21/41/99/631214199.db2.gz ZTMNXRNBGYJHMJ-WVQJBOLRSA-N 1 0 307.340 3.443 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)CCF)c1ccc(N2CCCCCC2)cc1 ZINC000846207981 631214997 /nfs/dbraw/zinc/21/49/97/631214997.db2.gz DIJNNGDRLVECFA-DOTOQJQBSA-N 1 0 308.441 3.438 20 10 DGCDRO CCN1C[C@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1=O ZINC000846209997 631215020 /nfs/dbraw/zinc/21/50/20/631215020.db2.gz VFWNSIZUCXRGIQ-KBPBESRZSA-N 1 0 312.413 3.064 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000846215076 631215081 /nfs/dbraw/zinc/21/50/81/631215081.db2.gz JZQSAQDDUNWBOO-BBRMVZONSA-N 1 0 312.413 3.128 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c(O)c1 ZINC000846216019 631215153 /nfs/dbraw/zinc/21/51/53/631215153.db2.gz OVLCCZFHZOVROP-XJKSGUPXSA-N 1 0 312.413 3.128 20 10 DGCDRO CC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Cl)ccc1O ZINC000846214832 631215200 /nfs/dbraw/zinc/21/52/00/631215200.db2.gz WYNYDTRWWGVPDX-HOCLYGCPSA-N 1 0 313.825 3.018 20 10 DGCDRO CCCC(CCC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000846663236 631281127 /nfs/dbraw/zinc/28/11/27/631281127.db2.gz GDUSRUZSEDBHCC-KRWDZBQOSA-N 1 0 305.466 3.085 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(C3CC3)c2)cc1 ZINC000848395126 631653991 /nfs/dbraw/zinc/65/39/91/631653991.db2.gz YPHZJTOOAVESHP-LJQANCHMSA-N 1 0 323.440 3.060 20 10 DGCDRO c1cc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2[nH]1 ZINC000848529161 631680292 /nfs/dbraw/zinc/68/02/92/631680292.db2.gz KUSBTXGACFWMDM-UHFFFAOYSA-N 1 0 321.424 3.294 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)c(O)c1 ZINC000848559200 631692041 /nfs/dbraw/zinc/69/20/41/631692041.db2.gz QLOVLAPNQUDHAC-GUYCJALGSA-N 1 0 310.397 3.305 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1O ZINC000848558302 631692269 /nfs/dbraw/zinc/69/22/69/631692269.db2.gz LGICOAGQZZSTMI-BDJLRTHQSA-N 1 0 314.360 3.135 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)c1 ZINC000848559234 631693195 /nfs/dbraw/zinc/69/31/95/631693195.db2.gz QWXJEHKKRHCRKI-DYVFJYSZSA-N 1 0 310.397 3.305 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC000848562113 631693747 /nfs/dbraw/zinc/69/37/47/631693747.db2.gz HCOYTYKUXPWYNG-ZJUUUORDSA-N 1 0 315.360 3.299 20 10 DGCDRO COc1c(C)cccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000848565562 631695020 /nfs/dbraw/zinc/69/50/20/631695020.db2.gz YKTYUVKEDDICBX-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1O ZINC000848881786 631769342 /nfs/dbraw/zinc/76/93/42/631769342.db2.gz UVUXFNKTGBJXRK-UHFFFAOYSA-N 1 0 316.367 3.025 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1O ZINC000848893687 631775601 /nfs/dbraw/zinc/77/56/01/631775601.db2.gz BJIAOFORXZFDSU-UHFFFAOYSA-N 1 0 302.393 3.450 20 10 DGCDRO CCc1cccc(C[NH2+]CCNC(=O)CC2CCCCC2)c1O ZINC000848896231 631777056 /nfs/dbraw/zinc/77/70/56/631777056.db2.gz VRQJCVLFDPXTLA-UHFFFAOYSA-N 1 0 318.461 3.131 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)c1O ZINC000848896497 631777849 /nfs/dbraw/zinc/77/78/49/631777849.db2.gz BQFUMVDHCASCPR-SJKOYZFVSA-N 1 0 303.377 3.305 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c1O ZINC000848898980 631778920 /nfs/dbraw/zinc/77/89/20/631778920.db2.gz BMEOGAMQCPHCFG-OALUTQOASA-N 1 0 310.441 3.490 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](CCO)c2ccccc2F)c1O ZINC000848919430 631786258 /nfs/dbraw/zinc/78/62/58/631786258.db2.gz KSWULKIXIAZDNJ-KRWDZBQOSA-N 1 0 303.377 3.307 20 10 DGCDRO COC(=O)c1cc(C[NH2+]Cc2cc(Cl)ccc2O)c(C)o1 ZINC000848919514 631786802 /nfs/dbraw/zinc/78/68/02/631786802.db2.gz MISZHLZJHQDCMO-UHFFFAOYSA-N 1 0 309.749 3.023 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848927644 631790899 /nfs/dbraw/zinc/79/08/99/631790899.db2.gz JOKFUSKURGAJAO-MOPGFXCFSA-N 1 0 301.478 3.168 20 10 DGCDRO CCNC(=[NH2+])NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000848986802 631797819 /nfs/dbraw/zinc/79/78/19/631797819.db2.gz DDFUSORGDGZTRL-LBPRGKRZSA-N 1 0 308.857 3.210 20 10 DGCDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NCc1ccccc1O ZINC000849090371 631832483 /nfs/dbraw/zinc/83/24/83/631832483.db2.gz JPLXHGHQWCUGEG-UHFFFAOYSA-N 1 0 323.318 3.225 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850135908 632063584 /nfs/dbraw/zinc/06/35/84/632063584.db2.gz SIJORGXGLNNFNP-HOTGVXAUSA-N 1 0 307.434 3.091 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H](C)C[C@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000850153125 632066486 /nfs/dbraw/zinc/06/64/86/632066486.db2.gz AJWPYVDRQUSLLA-STQMWFEESA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CC[C@H](CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000850187384 632075387 /nfs/dbraw/zinc/07/53/87/632075387.db2.gz YMMSRCCXXBRTDE-CTYIDZIISA-N 1 0 321.461 3.339 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850279273 632100717 /nfs/dbraw/zinc/10/07/17/632100717.db2.gz WUKLVYYTYQXPGH-WBMJQRKESA-N 1 0 307.434 3.213 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(Cl)o3)C2)cc1 ZINC000850345792 632119868 /nfs/dbraw/zinc/11/98/68/632119868.db2.gz KOMOHBDOPAXJFZ-LBPRGKRZSA-N 1 0 306.793 3.310 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@H](C)SC3)C2)cc1 ZINC000850347663 632120788 /nfs/dbraw/zinc/12/07/88/632120788.db2.gz VOVMADMBHFQTHF-KKUMJFAQSA-N 1 0 306.475 3.148 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C/C=C/CO)cc1 ZINC000850357322 632124757 /nfs/dbraw/zinc/12/47/57/632124757.db2.gz FPYNHLIHUSBWPB-NSCUHMNNSA-N 1 0 302.443 3.023 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000850379477 632132759 /nfs/dbraw/zinc/13/27/59/632132759.db2.gz QLBKOAPVOMOXHT-PLNGDYQASA-N 1 0 310.445 3.167 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@]3(C)CC3(F)F)CC2)cc1 ZINC000850379384 632132886 /nfs/dbraw/zinc/13/28/86/632132886.db2.gz NHQRGTZTOQMEAW-INIZCTEOSA-N 1 0 310.388 3.299 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCC[C@H](C)O2)ccc1OC ZINC000850379690 632133061 /nfs/dbraw/zinc/13/30/61/632133061.db2.gz VLHGFFDOUOHJOH-WMLDXEAASA-N 1 0 307.434 3.279 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c(O)c1 ZINC000850382161 632133946 /nfs/dbraw/zinc/13/39/46/632133946.db2.gz OQXDXHVUKXOEQT-OAHLLOKOSA-N 1 0 317.360 3.023 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1C ZINC000850384222 632135211 /nfs/dbraw/zinc/13/52/11/632135211.db2.gz IRTGQBWIJROSIW-QZTJIDSGSA-N 1 0 313.445 3.238 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000850388281 632136052 /nfs/dbraw/zinc/13/60/52/632136052.db2.gz KQSZXONWBVNWOT-RTBURBONSA-N 1 0 309.409 3.452 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2c(C3CCC3)cnn2C)c1 ZINC000850391287 632137119 /nfs/dbraw/zinc/13/71/19/632137119.db2.gz LHMRBYYJPSGGED-UHFFFAOYSA-N 1 0 315.417 3.082 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCOC3(C)C)CC2)cc1 ZINC000850408736 632142898 /nfs/dbraw/zinc/14/28/98/632142898.db2.gz DNBWOTRTJUOEOJ-HNNXBMFYSA-N 1 0 318.461 3.069 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)cc1C ZINC000850417041 632146035 /nfs/dbraw/zinc/14/60/35/632146035.db2.gz UKPUNPHJFUBTQA-IBGZPJMESA-N 1 0 310.441 3.373 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)CC1 ZINC000850427201 632149525 /nfs/dbraw/zinc/14/95/25/632149525.db2.gz OUJBCGVZJAZGIS-LJQANCHMSA-N 1 0 314.473 3.318 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C3(OC)CCC3)C2)cc1 ZINC000850475293 632164338 /nfs/dbraw/zinc/16/43/38/632164338.db2.gz YXQGEDFSZUUNDS-HZPDHXFCSA-N 1 0 318.461 3.069 20 10 DGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)[C@@H]1CCOC1 ZINC000850484119 632165830 /nfs/dbraw/zinc/16/58/30/632165830.db2.gz CPZZAWJCUAJXPW-LALPHHSUSA-N 1 0 313.825 3.056 20 10 DGCDRO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000850484611 632166933 /nfs/dbraw/zinc/16/69/33/632166933.db2.gz MMZGXMDPWAENPY-CQSZACIVSA-N 1 0 312.413 3.188 20 10 DGCDRO COC[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850485644 632167067 /nfs/dbraw/zinc/16/70/67/632167067.db2.gz AIFVCLFJHVQLAZ-HZPDHXFCSA-N 1 0 320.477 3.315 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)cc1 ZINC000850486508 632167804 /nfs/dbraw/zinc/16/78/04/632167804.db2.gz IFHIQMORYNPHCY-MAUKXSAKSA-N 1 0 324.424 3.257 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C3(OC)CCCC3)C2)cc1 ZINC000850486722 632167908 /nfs/dbraw/zinc/16/79/08/632167908.db2.gz JOCFBVAARFBPIT-JKSUJKDBSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)C2)cc1 ZINC000850486128 632167947 /nfs/dbraw/zinc/16/79/47/632167947.db2.gz GHSWOGSFENYNIN-OHQAAIJDSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(F)cn3)C2)cc1 ZINC000850489648 632168713 /nfs/dbraw/zinc/16/87/13/632168713.db2.gz WGSKIIBSVLBGFD-DZGCQCFKSA-N 1 0 315.392 3.159 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c(O)c1C ZINC000850502773 632173520 /nfs/dbraw/zinc/17/35/20/632173520.db2.gz ZHIIKMTWJPDMJA-RHSMWYFYSA-N 1 0 324.424 3.247 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(N(C)C)cc1 ZINC000850501856 632173683 /nfs/dbraw/zinc/17/36/83/632173683.db2.gz QGNIKMGAKRHTHE-IRYHUZONSA-N 1 0 308.491 3.093 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCC(C)CC2)c1 ZINC000850543124 632187883 /nfs/dbraw/zinc/18/78/83/632187883.db2.gz FRMAMQOPZXEFLN-CABCVRRESA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CN2CCC(C)CC2)c1O ZINC000850543563 632188404 /nfs/dbraw/zinc/18/84/04/632188404.db2.gz MHCVOBAGGMERJY-GJZGRUSLSA-N 1 0 306.450 3.172 20 10 DGCDRO Cc1cncc(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000850549456 632189158 /nfs/dbraw/zinc/18/91/58/632189158.db2.gz GSKMGXYLLKVWSZ-YGRLFVJLSA-N 1 0 301.365 3.010 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccccc1O ZINC000850561077 632194460 /nfs/dbraw/zinc/19/44/60/632194460.db2.gz HXAMYSRPDWNDTP-MAUKXSAKSA-N 1 0 307.434 3.001 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c(O)c1 ZINC000850561030 632194514 /nfs/dbraw/zinc/19/45/14/632194514.db2.gz HMUCOPNKYJXVOA-DNVCBOLYSA-N 1 0 321.461 3.227 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@@H]1C ZINC000850568007 632196768 /nfs/dbraw/zinc/19/67/68/632196768.db2.gz NVVPRTXWSIWHSA-JVPBZIDWSA-N 1 0 302.462 3.172 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc3c1OC(F)(F)O3)CC2 ZINC000850572139 632198325 /nfs/dbraw/zinc/19/83/25/632198325.db2.gz BMULZUNLEWULNL-GFCCVEGCSA-N 1 0 319.307 3.491 20 10 DGCDRO CO[C@@H](C[N@H+](Cc1ccccc1O)C1CCCC1)[C@H]1CCOC1 ZINC000851771897 632489144 /nfs/dbraw/zinc/48/91/44/632489144.db2.gz RDGHRRDRPPCDLB-LPHOPBHVSA-N 1 0 319.445 3.188 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000851792100 632495125 /nfs/dbraw/zinc/49/51/25/632495125.db2.gz KTMVVQTVYVHIRJ-BHYGNILZSA-N 1 0 316.445 3.052 20 10 DGCDRO C[C@H](c1ccccc1)[N@H+](CCc1cn[nH]n1)Cc1ccccc1O ZINC000851880371 632513111 /nfs/dbraw/zinc/51/31/11/632513111.db2.gz XDZAWJJEOPYVTB-OAHLLOKOSA-N 1 0 322.412 3.316 20 10 DGCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H]1CNC(=O)C1 ZINC000851879879 632513713 /nfs/dbraw/zinc/51/37/13/632513713.db2.gz QDBAUNMQBUSBRV-JKSUJKDBSA-N 1 0 324.424 3.092 20 10 DGCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CNC(=O)C1 ZINC000851879877 632513849 /nfs/dbraw/zinc/51/38/49/632513849.db2.gz QDBAUNMQBUSBRV-HOTGVXAUSA-N 1 0 324.424 3.092 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c1O ZINC000852463803 632605857 /nfs/dbraw/zinc/60/58/57/632605857.db2.gz VOTUIGVJLYBCQH-CALCHBBNSA-N 1 0 323.820 3.107 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184801024 660187693 /nfs/dbraw/zinc/18/76/93/660187693.db2.gz VBSIZDFXYCEKEV-IBGZPJMESA-N 1 0 310.441 3.489 20 10 DGCDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000184903664 660194586 /nfs/dbraw/zinc/19/45/86/660194586.db2.gz UMQNZJBHYDFFTJ-AWEZNQCLSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)C2 ZINC000185334423 660216574 /nfs/dbraw/zinc/21/65/74/660216574.db2.gz VJKVZGUUPHSAMH-ZFWWWQNUSA-N 1 0 313.397 3.364 20 10 DGCDRO C[C@H]([NH2+]CCCOCC1CCOCC1)c1cc(F)ccc1O ZINC000185520647 660227002 /nfs/dbraw/zinc/22/70/02/660227002.db2.gz NHICEUFDHFMQHT-ZDUSSCGKSA-N 1 0 311.397 3.015 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](c1ccccc1)N(C)C ZINC000185678821 660236384 /nfs/dbraw/zinc/23/63/84/660236384.db2.gz VOVAQOYIVXMHTK-YWZLYKJASA-N 1 0 310.441 3.403 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c1 ZINC000186000877 660259875 /nfs/dbraw/zinc/25/98/75/660259875.db2.gz VRSYIIROIDRUTL-LLVKDONJSA-N 1 0 323.339 3.409 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cc(F)ccc1O ZINC000186095317 660266284 /nfs/dbraw/zinc/26/62/84/660266284.db2.gz IBPJDTUOGOCYCO-MQJDWESPSA-N 1 0 307.390 3.120 20 10 DGCDRO CC[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998576528 660394376 /nfs/dbraw/zinc/39/43/76/660394376.db2.gz FXHKJDMDPFYGTL-YOEHRIQHSA-N 1 0 318.461 3.130 20 10 DGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000186452651 660440391 /nfs/dbraw/zinc/44/03/91/660440391.db2.gz HMGFAFKMNBAYSE-RDJZCZTQSA-N 1 0 319.449 3.024 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCSC1 ZINC000700992805 660647873 /nfs/dbraw/zinc/64/78/73/660647873.db2.gz IOERQCVDBGDPDG-LLVKDONJSA-N 1 0 302.237 3.140 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000701057619 660653403 /nfs/dbraw/zinc/65/34/03/660653403.db2.gz NKRWFKIQQNHPDA-JTQLQIEISA-N 1 0 306.150 3.432 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)[C@@H](C)C1 ZINC000701177177 660659277 /nfs/dbraw/zinc/65/92/77/660659277.db2.gz WVAPNVQTXUFZAE-GXFFZTMASA-N 1 0 314.223 3.154 20 10 DGCDRO CCC[C@H](C[NH2+]Cc1ccc(Br)cc1O)OCC ZINC000705394686 660837415 /nfs/dbraw/zinc/83/74/15/660837415.db2.gz SWFMFKULSAZDDT-CYBMUJFWSA-N 1 0 316.239 3.450 20 10 DGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707132354 660889565 /nfs/dbraw/zinc/88/95/65/660889565.db2.gz NYPDZKJLQDIWDN-LLVKDONJSA-N 1 0 314.223 3.154 20 10 DGCDRO CCOC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000707147406 660893799 /nfs/dbraw/zinc/89/37/99/660893799.db2.gz ZUKWBNGOIYEVJZ-UHFFFAOYSA-N 1 0 314.223 3.156 20 10 DGCDRO CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001036477210 660910110 /nfs/dbraw/zinc/91/01/10/660910110.db2.gz LAZFIZAFCCYHNO-YOEHRIQHSA-N 1 0 318.461 3.130 20 10 DGCDRO Cc1ccc(O)c(CNc2cc[nH+]c(C)c2Br)c1 ZINC000792692801 660980227 /nfs/dbraw/zinc/98/02/27/660980227.db2.gz WRNRIJPXYSMSOS-UHFFFAOYSA-N 1 0 307.191 3.201 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000792936853 660995762 /nfs/dbraw/zinc/99/57/62/660995762.db2.gz WUDQWNYVLLEBDF-CQSZACIVSA-N 1 0 316.367 3.430 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3cnccc3C)CC2)cc1 ZINC000792950831 660996515 /nfs/dbraw/zinc/99/65/15/660996515.db2.gz LPLBABFKAMBVRR-UHFFFAOYSA-N 1 0 311.429 3.157 20 10 DGCDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792972737 660997505 /nfs/dbraw/zinc/99/75/05/660997505.db2.gz BFWWVRGBTHYLDT-OAHLLOKOSA-N 1 0 318.383 3.412 20 10 DGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]CC3(F)CC3)C2)cc1 ZINC000792999461 660999731 /nfs/dbraw/zinc/99/97/31/660999731.db2.gz DFDBPCZGZKXVMN-LBPRGKRZSA-N 1 0 314.351 3.349 20 10 DGCDRO CC[C@]1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOC1 ZINC000793179052 661010646 /nfs/dbraw/zinc/01/06/46/661010646.db2.gz XSZDHJYTUNHVRD-HNNXBMFYSA-N 1 0 316.367 3.430 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000793192045 661011827 /nfs/dbraw/zinc/01/18/27/661011827.db2.gz OYHDWTGATJHLQX-QGPMSJSTSA-N 1 0 318.461 3.340 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(OC)cc3C2)c(O)c1 ZINC000793386561 661029328 /nfs/dbraw/zinc/02/93/28/661029328.db2.gz WNDOJXCLHBVKJF-MRXNPFEDSA-N 1 0 313.397 3.057 20 10 DGCDRO COc1cc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c(O)cc1C ZINC000793780840 661057224 /nfs/dbraw/zinc/05/72/24/661057224.db2.gz MQJWRBNXNBWLLS-AWEZNQCLSA-N 1 0 313.397 3.492 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(O)cc1C ZINC000794650776 661096221 /nfs/dbraw/zinc/09/62/21/661096221.db2.gz MSGCFZXDAVAFDS-JQWIXIFHSA-N 1 0 303.324 3.482 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000794672843 661097801 /nfs/dbraw/zinc/09/78/01/661097801.db2.gz PTHXROAPIQACQN-IBGZPJMESA-N 1 0 321.461 3.435 20 10 DGCDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000794706333 661100256 /nfs/dbraw/zinc/10/02/56/661100256.db2.gz OVZRDCCQHSSANP-XJKSGUPXSA-N 1 0 305.418 3.076 20 10 DGCDRO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000077205594 655608430 /nfs/dbraw/zinc/60/84/30/655608430.db2.gz BAAFTKSSRCXOAM-MJGOQNOKSA-N 1 0 302.462 3.318 20 10 DGCDRO COc1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000175986077 655680252 /nfs/dbraw/zinc/68/02/52/655680252.db2.gz BGAGCUCRDOMIOF-UHFFFAOYSA-N 1 0 316.357 3.334 20 10 DGCDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000160975912 655702534 /nfs/dbraw/zinc/70/25/34/655702534.db2.gz WWJBWSYFNLULIB-MRXNPFEDSA-N 1 0 317.477 3.242 20 10 DGCDRO COc1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1O ZINC000317642637 655705624 /nfs/dbraw/zinc/70/56/24/655705624.db2.gz QNEUKZIOBCIGII-HUUCEWRRSA-N 1 0 324.852 3.161 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000715103779 661208102 /nfs/dbraw/zinc/20/81/02/661208102.db2.gz OKWIASASWIMLBA-MGPQQGTHSA-N 1 0 320.433 3.346 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]Cc1ccc(F)c(Cl)c1)OCO2 ZINC000053149792 656063687 /nfs/dbraw/zinc/06/36/87/656063687.db2.gz UFNRODVHOGHQHB-UHFFFAOYSA-N 1 0 309.724 3.203 20 10 DGCDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183133947 656110840 /nfs/dbraw/zinc/11/08/40/656110840.db2.gz ALJSYSXQBUMMNJ-LJQANCHMSA-N 1 0 315.413 3.222 20 10 DGCDRO CC(C)OC1CC([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000189521155 656156111 /nfs/dbraw/zinc/15/61/11/656156111.db2.gz DLASNEWVKZUTJL-UHFFFAOYSA-N 1 0 320.502 3.285 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c1 ZINC000189878954 656157592 /nfs/dbraw/zinc/15/75/92/656157592.db2.gz XKJALPZGFKRRME-MRXNPFEDSA-N 1 0 317.458 3.033 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000123429630 656179157 /nfs/dbraw/zinc/17/91/57/656179157.db2.gz QTTDSMAGBVWIEW-QGZVFWFLSA-N 1 0 310.441 3.417 20 10 DGCDRO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000931256369 656193648 /nfs/dbraw/zinc/19/36/48/656193648.db2.gz XUJNONVFVOQBOR-CQSZACIVSA-N 1 0 310.388 3.143 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313342527 656268481 /nfs/dbraw/zinc/26/84/81/656268481.db2.gz GFQQOZXIGOLTGD-INIZCTEOSA-N 1 0 302.805 3.192 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000724943320 656530367 /nfs/dbraw/zinc/53/03/67/656530367.db2.gz NPUORPFEHXCHDU-QWHCGFSZSA-N 1 0 306.406 3.052 20 10 DGCDRO COc1cc(Cl)cc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1O ZINC000317642635 656651026 /nfs/dbraw/zinc/65/10/26/656651026.db2.gz QNEUKZIOBCIGII-GJZGRUSLSA-N 1 0 324.852 3.161 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000319788010 656706817 /nfs/dbraw/zinc/70/68/17/656706817.db2.gz MQYJQLLRGOQPQC-RYUDHWBXSA-N 1 0 311.385 3.282 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)OC(C)(C)C ZINC000227874458 656845213 /nfs/dbraw/zinc/84/52/13/656845213.db2.gz CBFQARXXFXWOPB-UHFFFAOYSA-N 1 0 322.449 3.350 20 10 DGCDRO CC1CCN(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000236847604 656866745 /nfs/dbraw/zinc/86/67/45/656866745.db2.gz KCHGVTKLZRVOEL-UHFFFAOYSA-N 1 0 315.505 3.498 20 10 DGCDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)C1(C)C ZINC000236851250 656958465 /nfs/dbraw/zinc/95/84/65/656958465.db2.gz SXGIUKFTJVRVGH-IAGOWNOFSA-N 1 0 307.434 3.474 20 10 DGCDRO CCCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001047680955 657303395 /nfs/dbraw/zinc/30/33/95/657303395.db2.gz NZWCYMMKJXMVSN-DOTOQJQBSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(N2CCCCC2)cc1 ZINC000249839723 657434887 /nfs/dbraw/zinc/43/48/87/657434887.db2.gz FUBFMVSMGVPDDH-BMGDILEWSA-N 1 0 302.462 3.487 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H]3C[C@@H](C)O)c2c1 ZINC000305274156 657699344 /nfs/dbraw/zinc/69/93/44/657699344.db2.gz ZRMUCZXKQQXOJR-HIFRSBDPSA-N 1 0 315.413 3.289 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C=C(C)C)C2)cc1C ZINC000987918985 658285220 /nfs/dbraw/zinc/28/52/20/658285220.db2.gz PFZNQPLFSIKPDW-NVXWUHKLSA-N 1 0 316.445 3.049 20 10 DGCDRO C/C=C(/C)C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC000988512191 658350791 /nfs/dbraw/zinc/35/07/91/658350791.db2.gz LMVGFRPNUYMBIO-NNDGFTKTSA-N 1 0 316.445 3.049 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)Cc2ccccc2OC)c1 ZINC000321976078 658408862 /nfs/dbraw/zinc/40/88/62/658408862.db2.gz BWAZOKZXLPZHCO-CQSZACIVSA-N 1 0 315.413 3.472 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC2(O)CCC(C)CC2)c1O ZINC000229052509 659233185 /nfs/dbraw/zinc/23/31/85/659233185.db2.gz BLHFSNPPOILWIT-UHFFFAOYSA-N 1 0 313.825 3.085 20 10 DGCDRO COc1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)cc1OC ZINC000323907591 659242523 /nfs/dbraw/zinc/24/25/23/659242523.db2.gz RQVRRRBZWXWJOI-HNNXBMFYSA-N 1 0 313.397 3.229 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]Cc2ccoc2)c1O ZINC000171128406 659260701 /nfs/dbraw/zinc/26/07/01/659260701.db2.gz WOEQRMZWXYXVPE-UHFFFAOYSA-N 1 0 312.163 3.046 20 10 DGCDRO CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000171937753 659307033 /nfs/dbraw/zinc/30/70/33/659307033.db2.gz VDBKGQUYBWMJPF-AWEZNQCLSA-N 1 0 312.413 3.414 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)c2ccco2)cc1F ZINC000174529858 659438345 /nfs/dbraw/zinc/43/83/45/659438345.db2.gz CSLYZFKEKAOZAW-SFHVURJKSA-N 1 0 320.408 3.262 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000090221160 659530457 /nfs/dbraw/zinc/53/04/57/659530457.db2.gz GWJRRLXDDPKBFR-RCDICMHDSA-N 1 0 316.470 3.341 20 10 DGCDRO CCC[N@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1ccccc1O ZINC000075829193 659928367 /nfs/dbraw/zinc/92/83/67/659928367.db2.gz BSZIVUABQAQARJ-IYBDPMFKSA-N 1 0 318.461 3.109 20 10 DGCDRO COc1ccc(OCC[N@H+](C)Cc2cccc(C)c2O)cc1 ZINC000179596413 659934218 /nfs/dbraw/zinc/93/42/18/659934218.db2.gz CFJOYFDKNJHWKB-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO OCCC[N@H+](Cc1cc(F)ccc1O)[C@H]1CCc2ccccc21 ZINC000180153364 659953436 /nfs/dbraw/zinc/95/34/36/659953436.db2.gz XLXCDPGXZLUBEH-SFHVURJKSA-N 1 0 315.388 3.403 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1O ZINC000180414827 659962207 /nfs/dbraw/zinc/96/22/07/659962207.db2.gz DUPKABWPEOWUFU-FQEVSTJZSA-N 1 0 309.409 3.375 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000180489009 659964256 /nfs/dbraw/zinc/96/42/56/659964256.db2.gz FGVQMQDADHOHTF-QGZVFWFLSA-N 1 0 312.413 3.477 20 10 DGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(OC)ccc2O)C12CCC2 ZINC000180749172 659969315 /nfs/dbraw/zinc/96/93/15/659969315.db2.gz FXAXBWWGAZKLHM-SJORKVTESA-N 1 0 305.418 3.180 20 10 DGCDRO Cc1csc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000069168517 659978086 /nfs/dbraw/zinc/97/80/86/659978086.db2.gz RAPUAQXTXWTPHX-CQSZACIVSA-N 1 0 317.458 3.139 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c1 ZINC000181100193 659980432 /nfs/dbraw/zinc/98/04/32/659980432.db2.gz MOJYNGSAQLCCID-INIZCTEOSA-N 1 0 305.418 3.256 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cccc(O)c2)c1O ZINC000181580814 660008891 /nfs/dbraw/zinc/00/88/91/660008891.db2.gz WAKQCEQQTPAMHG-JTQLQIEISA-N 1 0 303.333 3.290 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)ccc21 ZINC000181628464 660013650 /nfs/dbraw/zinc/01/36/50/660013650.db2.gz VVSMCLAXZLIYNQ-UHOSZYNNSA-N 1 0 314.473 3.362 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)c1 ZINC000182381136 660049213 /nfs/dbraw/zinc/04/92/13/660049213.db2.gz LHEUBFQUSIZOSX-GFCCVEGCSA-N 1 0 312.369 3.132 20 10 DGCDRO COc1cccc(OCC[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000182405052 660051270 /nfs/dbraw/zinc/05/12/70/660051270.db2.gz ZVGSEFSVFBJEOM-CYBMUJFWSA-N 1 0 317.385 3.139 20 10 DGCDRO CCCCC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182406327 660051413 /nfs/dbraw/zinc/05/14/13/660051413.db2.gz VVDWINXUYUOJAT-ZIAGYGMSSA-N 1 0 322.449 3.136 20 10 DGCDRO Oc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccco1 ZINC000182897862 660088765 /nfs/dbraw/zinc/08/87/65/660088765.db2.gz SCWDSXIYEPUCRE-UHFFFAOYSA-N 1 0 311.385 3.274 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC2(O)CCCCCC2)c1O ZINC000184708907 660182406 /nfs/dbraw/zinc/18/24/06/660182406.db2.gz QJWGWIKCGXOQNN-UHFFFAOYSA-N 1 0 313.825 3.229 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000930216385 661379240 /nfs/dbraw/zinc/37/92/40/661379240.db2.gz GRRCVWFUAJSRLU-KCQAQPDRSA-N 1 0 321.417 3.031 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)c2ccc(F)nc2)cc1 ZINC000930852064 661434375 /nfs/dbraw/zinc/43/43/75/661434375.db2.gz GEUCVYFVXLNIGK-CQSZACIVSA-N 1 0 317.408 3.359 20 10 DGCDRO Cc1cc(C[NH+]2CCC(c3ccn(C)n3)CC2)ccc1N(C)C ZINC000932142235 661541700 /nfs/dbraw/zinc/54/17/00/661541700.db2.gz PCFYPOWGLDXITO-UHFFFAOYSA-N 1 0 312.461 3.174 20 10 DGCDRO COc1cccc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000155979123 661855968 /nfs/dbraw/zinc/85/59/68/661855968.db2.gz PNUQPBJGXCWHEO-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000157635657 661868337 /nfs/dbraw/zinc/86/83/37/661868337.db2.gz NGYNXJYKWXSSTF-FQEVSTJZSA-N 1 0 310.441 3.280 20 10 DGCDRO CC[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000159356759 661886363 /nfs/dbraw/zinc/88/63/63/661886363.db2.gz CLUSTXGEVYZXPA-AWEZNQCLSA-N 1 0 304.356 3.372 20 10 DGCDRO COc1cc(C[N@H+](C)CCOc2ccccc2)c(O)cc1C ZINC000159480027 661889049 /nfs/dbraw/zinc/88/90/49/661889049.db2.gz FCOISEUKOUCRKP-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO COCCO[C@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000188927000 661954102 /nfs/dbraw/zinc/95/41/02/661954102.db2.gz YIAUBKMEJIHZJH-INIZCTEOSA-N 1 0 321.461 3.235 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000076275552 661976729 /nfs/dbraw/zinc/97/67/29/661976729.db2.gz FSZGXJLTDNPNGI-UHFFFAOYSA-N 1 0 310.441 3.246 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccccc3F)C2)cc1 ZINC000076361111 661979615 /nfs/dbraw/zinc/97/96/15/661979615.db2.gz ZFUMIIAZQDZVTD-HNNXBMFYSA-N 1 0 314.404 3.450 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)c1 ZINC000189878978 661995188 /nfs/dbraw/zinc/99/51/88/661995188.db2.gz XKJALPZGFKRRME-INIZCTEOSA-N 1 0 317.458 3.033 20 10 DGCDRO CCN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC000190907807 662048923 /nfs/dbraw/zinc/04/89/23/662048923.db2.gz XMASVCPDROJDBU-UHFFFAOYSA-N 1 0 324.472 3.210 20 10 DGCDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000191564922 662072695 /nfs/dbraw/zinc/07/26/95/662072695.db2.gz XAMKVCDYHJRKJR-BBRMVZONSA-N 1 0 303.377 3.094 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3c(cccc3OC)C2)c1 ZINC000192445483 662098918 /nfs/dbraw/zinc/09/89/18/662098918.db2.gz SLTZZKASCBDBLG-HNNXBMFYSA-N 1 0 313.397 3.057 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc2ccccc2c1O ZINC000192700554 662108730 /nfs/dbraw/zinc/10/87/30/662108730.db2.gz LMQOOHQFTVFWCT-ZDUSSCGKSA-N 1 0 320.392 3.495 20 10 DGCDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)N(C)C ZINC000192953295 662117158 /nfs/dbraw/zinc/11/71/58/662117158.db2.gz KVEUZDATKZKMMH-SUMWQHHRSA-N 1 0 308.466 3.418 20 10 DGCDRO CC[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000091929323 662324514 /nfs/dbraw/zinc/32/45/14/662324514.db2.gz AMKQKBVACASZFX-JTQLQIEISA-N 1 0 314.223 3.395 20 10 DGCDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092938303 662340452 /nfs/dbraw/zinc/34/04/52/662340452.db2.gz HRCTZGZWWQRWBJ-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093360037 662353910 /nfs/dbraw/zinc/35/39/10/662353910.db2.gz XMCZHKVGUFZCJW-AWEZNQCLSA-N 1 0 321.465 3.098 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cc(Br)ccc1O ZINC000248581909 662354091 /nfs/dbraw/zinc/35/40/91/662354091.db2.gz WFPQHQSIFIYBKO-OUCADQQQSA-N 1 0 314.223 3.109 20 10 DGCDRO COc1cc(Br)cc(C[N@H+](C)C2CCC2)c1O ZINC000093475700 662354716 /nfs/dbraw/zinc/35/47/16/662354716.db2.gz WFOFYONJTFUGRY-UHFFFAOYSA-N 1 0 300.196 3.148 20 10 DGCDRO CSC[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000093760553 662359641 /nfs/dbraw/zinc/35/96/41/662359641.db2.gz DLMRGRFAAGSUJL-GFCCVEGCSA-N 1 0 316.264 3.482 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000227679984 685118390 /nfs/dbraw/zinc/11/83/90/685118390.db2.gz NKDOUCHIBMBQAB-ZDUSSCGKSA-N 1 0 308.422 3.006 20 10 DGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1cccc(Br)c1[O-])OC ZINC000381108989 685154630 /nfs/dbraw/zinc/15/46/30/685154630.db2.gz BUAICGQWJJMSQK-GWCFXTLKSA-N 1 0 316.239 3.305 20 10 DGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)OC ZINC000381338136 685156850 /nfs/dbraw/zinc/15/68/50/685156850.db2.gz AXGTXBWHFDFFIO-QMTHXVAHSA-N 1 0 301.814 3.205 20 10 DGCDRO C[C@@H]1CSc2ccccc2N(C(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC001576862088 1191871581 /nfs/dbraw/zinc/87/15/81/1191871581.db2.gz KFZRTLSSSHTGIQ-STUIXMSNSA-N 1 0 316.470 3.317 20 10 DGCDRO [NH3+][C@H]1CC=C(C(=O)N2CCCc3c(Cl)cc(Cl)cc32)C1 ZINC001580171526 1192011881 /nfs/dbraw/zinc/01/18/81/1192011881.db2.gz REZIDCOGKVCELF-NSHDSACASA-N 1 0 311.212 3.320 20 10 DGCDRO [NH3+]C[C@]12C[N@H+](Cc3c([O-])ccc(Cl)c3F)C[C@@H]1CCCC2 ZINC001580256857 1192016641 /nfs/dbraw/zinc/01/66/41/1192016641.db2.gz YNHAUXUQZFHCCC-MEDUHNTESA-N 1 0 312.816 3.136 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(C)c(-c2nn[nH]n2)c1)c1ccccc1O ZINC001590467227 1192511933 /nfs/dbraw/zinc/51/19/33/1192511933.db2.gz TWLZWUHPDBGEGL-MRXNPFEDSA-N 1 0 323.400 3.122 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2C)cc1Cn1cccn1 ZINC001620912737 1192592107 /nfs/dbraw/zinc/59/21/07/1192592107.db2.gz FGYPYVTVPREAKP-DOTOQJQBSA-N 1 0 313.445 3.466 20 10 DGCDRO OC[C@H](CC1CCCC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001620914991 1192597663 /nfs/dbraw/zinc/59/76/63/1192597663.db2.gz MZNDKUKWTMDFJX-SFHVURJKSA-N 1 0 302.462 3.318 20 10 DGCDRO CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001665160674 1197103191 /nfs/dbraw/zinc/10/31/91/1197103191.db2.gz UPTDWPWKDGJRCN-UHFFFAOYSA-N 1 0 302.821 3.252 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC001665635078 1197162387 /nfs/dbraw/zinc/16/23/87/1197162387.db2.gz WJAFSEAYKQNEQG-OAHLLOKOSA-N 1 0 317.351 3.262 20 10 DGCDRO CC[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001691768231 1176089290 /nfs/dbraw/zinc/08/92/90/1176089290.db2.gz PTHBXSZXTHUDHU-KBRIMQKVSA-N 1 0 318.461 3.034 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)cc1F ZINC001620983095 1192770023 /nfs/dbraw/zinc/77/00/23/1192770023.db2.gz SKEFXNMSFPWGRT-BETUJISGSA-N 1 0 312.404 3.467 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001331056759 1178125717 /nfs/dbraw/zinc/12/57/17/1178125717.db2.gz ADQPAAQMBWRKAZ-PKOBYXMFSA-N 1 0 314.404 3.375 20 10 DGCDRO CCC(=O)NCC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001331176298 1178149096 /nfs/dbraw/zinc/14/90/96/1178149096.db2.gz IHSNLEJTUUCHFT-MRXNPFEDSA-N 1 0 306.450 3.034 20 10 DGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Br)c1ccncc1 ZINC001331272078 1178171209 /nfs/dbraw/zinc/17/12/09/1178171209.db2.gz NNOPJXSWYJOBGS-NSHDSACASA-N 1 0 321.218 3.443 20 10 DGCDRO COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)cn1 ZINC001331531897 1178236687 /nfs/dbraw/zinc/23/66/87/1178236687.db2.gz JAWSWKZZWDVEIV-UKRRQHHQSA-N 1 0 312.413 3.485 20 10 DGCDRO CC1CCC(O)(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001621020663 1192869969 /nfs/dbraw/zinc/86/99/69/1192869969.db2.gz PVOWAHVRCZGNJS-PLNGDYQASA-N 1 0 302.462 3.297 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](F)C3)cc2)CC1 ZINC001333368880 1178595647 /nfs/dbraw/zinc/59/56/47/1178595647.db2.gz NJFGHPBGTNPFPA-CVEARBPZSA-N 1 0 306.425 3.018 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]CCOC1CCSCC1 ZINC001333895607 1178691928 /nfs/dbraw/zinc/69/19/28/1178691928.db2.gz PPDXSODLYGECJS-UHFFFAOYSA-N 1 0 320.502 3.289 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC001334343244 1178751423 /nfs/dbraw/zinc/75/14/23/1178751423.db2.gz VJSWAMGNBYTLLQ-OAHLLOKOSA-N 1 0 323.339 3.445 20 10 DGCDRO FC(F)CN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001334907999 1178826500 /nfs/dbraw/zinc/82/65/00/1178826500.db2.gz KRHGWQLNKRUCNA-KRWDZBQOSA-N 1 0 323.431 3.106 20 10 DGCDRO c1ccn(-c2ccc(-c3nc([C@H]4C[NH+]5CCC4CC5)no3)cc2)c1 ZINC001342544106 1179151368 /nfs/dbraw/zinc/15/13/68/1179151368.db2.gz FHTLGBRQSCCTJD-KRWDZBQOSA-N 1 0 320.396 3.337 20 10 DGCDRO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352646 1179260372 /nfs/dbraw/zinc/26/03/72/1179260372.db2.gz BZTIGDVKMLVCCY-QFBILLFUSA-N 1 0 301.478 3.059 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N)cc1)c1cccc(N2CCCC2=O)c1 ZINC001345160153 1179535437 /nfs/dbraw/zinc/53/54/37/1179535437.db2.gz SKCDDBFKZJNIDO-CQSZACIVSA-N 1 0 309.413 3.246 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCC[C@H]3CCOC3)CC2)cc1 ZINC001345764473 1179603597 /nfs/dbraw/zinc/60/35/97/1179603597.db2.gz UWIHHYDAYVSUKN-KRWDZBQOSA-N 1 0 318.461 3.024 20 10 DGCDRO C[C@@]1(C(F)F)C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC001350736001 1180113852 /nfs/dbraw/zinc/11/38/52/1180113852.db2.gz STBACNKAHYLZFB-KRWDZBQOSA-N 1 0 307.340 3.401 20 10 DGCDRO COc1ccc(C[NH2+]CCOC2CCCCCC2)c(O)c1OC ZINC001351998579 1180277228 /nfs/dbraw/zinc/27/72/28/1180277228.db2.gz SKTLVCJLXXKHSE-UHFFFAOYSA-N 1 0 323.433 3.238 20 10 DGCDRO Cc1ccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)c(O)c1 ZINC001352862512 1180411470 /nfs/dbraw/zinc/41/14/70/1180411470.db2.gz NNWUZASCBAOIQV-UHFFFAOYSA-N 1 0 308.422 3.095 20 10 DGCDRO FC(F)(F)COCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001200161855 1180418882 /nfs/dbraw/zinc/41/88/82/1180418882.db2.gz OZQJEAMBLXEVKS-UHFFFAOYSA-N 1 0 316.367 3.345 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc2nsnc21 ZINC001200377141 1180587274 /nfs/dbraw/zinc/58/72/74/1180587274.db2.gz ISHRLETYWWYULN-UHFFFAOYSA-N 1 0 312.442 3.356 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC001353585548 1180597744 /nfs/dbraw/zinc/59/77/44/1180597744.db2.gz YBCHGDWXSGKBSL-MRXNPFEDSA-N 1 0 301.386 3.187 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC001355362029 1181043380 /nfs/dbraw/zinc/04/33/80/1181043380.db2.gz IFOBRMQTVAKSHM-RBUKOAKNSA-N 1 0 300.446 3.334 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC001474596799 1181593358 /nfs/dbraw/zinc/59/33/58/1181593358.db2.gz BKNSWJLEPNJMRY-KBPBESRZSA-N 1 0 322.449 3.482 20 10 DGCDRO CC(C)OC(=O)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001561013375 1181697159 /nfs/dbraw/zinc/69/71/59/1181697159.db2.gz RVJDHWGDIIGIDS-UHFFFAOYSA-N 1 0 311.809 3.209 20 10 DGCDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001460715129 1182712670 /nfs/dbraw/zinc/71/26/70/1182712670.db2.gz BVWMPUSUMOQVBF-MRXNPFEDSA-N 1 0 318.461 3.226 20 10 DGCDRO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001461101584 1182767804 /nfs/dbraw/zinc/76/78/04/1182767804.db2.gz RUKSLCUWIQINKQ-GJZGRUSLSA-N 1 0 307.457 3.102 20 10 DGCDRO FC(F)(F)c1cccnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001461130237 1182772056 /nfs/dbraw/zinc/77/20/56/1182772056.db2.gz OQASAWGPFODNEI-UHFFFAOYSA-N 1 0 308.303 3.325 20 10 DGCDRO COc1ccc(C[NH2+]C2CCN(C(=O)OC(C)C)CC2)cc1C ZINC001461206551 1182782028 /nfs/dbraw/zinc/78/20/28/1182782028.db2.gz CQYFONWNBVACSX-UHFFFAOYSA-N 1 0 320.433 3.103 20 10 DGCDRO CN(C)c1cccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC001461353684 1182798584 /nfs/dbraw/zinc/79/85/84/1182798584.db2.gz GROQGRHYIRYGLJ-UHFFFAOYSA-N 1 0 324.472 3.428 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)cc1C ZINC001461537874 1182826207 /nfs/dbraw/zinc/82/62/07/1182826207.db2.gz JBKHKWZUSPCDQQ-UKRRQHHQSA-N 1 0 301.377 3.278 20 10 DGCDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461597301 1182832731 /nfs/dbraw/zinc/83/27/31/1182832731.db2.gz ZVFUKEAJHLAEIM-UHFFFAOYSA-N 1 0 305.418 3.223 20 10 DGCDRO CCC[C@@H](C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461729862 1182847415 /nfs/dbraw/zinc/84/74/15/1182847415.db2.gz SDFCCZLWPLHFAW-MRXNPFEDSA-N 1 0 321.484 3.493 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(Cc3cccs3)CC2)c(O)c1 ZINC001462037600 1182900264 /nfs/dbraw/zinc/90/02/64/1182900264.db2.gz ZIULFVLJSDMVKF-UHFFFAOYSA-N 1 0 302.443 3.080 20 10 DGCDRO C[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1O ZINC001462071116 1182904260 /nfs/dbraw/zinc/90/42/60/1182904260.db2.gz ROSAJRCNNGIVPA-UHFFFAOYSA-N 1 0 307.191 3.182 20 10 DGCDRO COCC[N@H+](Cc1cccnc1)Cc1ccc(Cl)cc1O ZINC001462190746 1182920378 /nfs/dbraw/zinc/92/03/78/1182920378.db2.gz GKMKBXGAPDAICV-UHFFFAOYSA-N 1 0 306.793 3.089 20 10 DGCDRO COc1cc(C)c(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c(O)c1 ZINC001462252382 1182929387 /nfs/dbraw/zinc/92/93/87/1182929387.db2.gz VGNKDRVEIKTTEE-IAGOWNOFSA-N 1 0 305.418 3.099 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](CO)CC2CCCCC2)c1O ZINC001462381408 1182944464 /nfs/dbraw/zinc/94/44/64/1182944464.db2.gz CXAMNTGQUBCXGH-INIZCTEOSA-N 1 0 307.434 3.130 20 10 DGCDRO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001621338189 1193211412 /nfs/dbraw/zinc/21/14/12/1193211412.db2.gz AYFPULMKAQNMGE-KKSFZXQISA-N 1 0 322.452 3.204 20 10 DGCDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001473572450 1183774522 /nfs/dbraw/zinc/77/45/22/1183774522.db2.gz TXPCJJGGAHTCSG-HLLBOEOZSA-N 1 0 317.429 3.194 20 10 DGCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001473970008 1183841651 /nfs/dbraw/zinc/84/16/51/1183841651.db2.gz BQZPXDGQSARYHY-GOSISDBHSA-N 1 0 309.409 3.277 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001474435231 1183921709 /nfs/dbraw/zinc/92/17/09/1183921709.db2.gz BPTWHYDWBVUBFO-QWHCGFSZSA-N 1 0 324.415 3.413 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2O)C1 ZINC001474451631 1183924372 /nfs/dbraw/zinc/92/43/72/1183924372.db2.gz ACKWBQIZVQHYIN-ZBFHGGJFSA-N 1 0 320.433 3.047 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(C)nc3scc(C)n32)c(O)c1 ZINC001474472788 1183928242 /nfs/dbraw/zinc/92/82/42/1183928242.db2.gz FGGLJIXWWUQPLZ-UHFFFAOYSA-N 1 0 317.414 3.017 20 10 DGCDRO Cc1ccc(C[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001474511701 1183933845 /nfs/dbraw/zinc/93/38/45/1183933845.db2.gz OHSAOICQSDZUFX-LJQANCHMSA-N 1 0 310.441 3.059 20 10 DGCDRO CCc1cccc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC001474571127 1183942050 /nfs/dbraw/zinc/94/20/50/1183942050.db2.gz LIJXKLIHJZYDGK-CYBMUJFWSA-N 1 0 307.434 3.364 20 10 DGCDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001474573101 1183943144 /nfs/dbraw/zinc/94/31/44/1183943144.db2.gz UDTNCQVKRJQVQJ-CXAGYDPISA-N 1 0 324.415 3.470 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC(C)(C)CC[C@H]2CO)cc1 ZINC001474682214 1183960967 /nfs/dbraw/zinc/96/09/67/1183960967.db2.gz ULQLJUYXECFBHZ-XFHJGTJQSA-N 1 0 302.462 3.249 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2c[nH]c(=O)c3ccccc23)c(O)c1 ZINC001474714207 1183966539 /nfs/dbraw/zinc/96/65/39/1183966539.db2.gz QTHVGQCIGVDHQK-UHFFFAOYSA-N 1 0 324.380 3.253 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCC2CCC2)cc1C ZINC001497802075 1185395273 /nfs/dbraw/zinc/39/52/73/1185395273.db2.gz JSGLJXRKHPEUSC-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)CC(C)C)cc1C ZINC001503051472 1186037872 /nfs/dbraw/zinc/03/78/72/1186037872.db2.gz YURRVEGGLFRSKF-HNNXBMFYSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](C)C2)cc1Cn1cccn1 ZINC001560459990 1189330287 /nfs/dbraw/zinc/33/02/87/1189330287.db2.gz DIHRLWBRCMAHJW-HOTGVXAUSA-N 1 0 313.445 3.466 20 10 DGCDRO CCN(C(=O)C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC001560591469 1189344790 /nfs/dbraw/zinc/34/47/90/1189344790.db2.gz CGFRLQMTVAAELR-UHFFFAOYSA-N 1 0 324.424 3.154 20 10 DGCDRO CN(C)c1cc(F)c(CN2CCC[C@H]2C[NH+]2CCCC2)cc1F ZINC001560655779 1189355392 /nfs/dbraw/zinc/35/53/92/1189355392.db2.gz JZLHNLYMQXAKFO-HNNXBMFYSA-N 1 0 323.431 3.091 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560659124 1189356756 /nfs/dbraw/zinc/35/67/56/1189356756.db2.gz YPJDSTCWZZPTKL-OAHLLOKOSA-N 1 0 305.418 3.291 20 10 DGCDRO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cc(OC)ccc2O)cc1 ZINC001560671910 1189358179 /nfs/dbraw/zinc/35/81/79/1189358179.db2.gz RHQSMBWEAXDLJA-INIZCTEOSA-N 1 0 313.397 3.226 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)Cc1ccno1 ZINC001560890809 1189401128 /nfs/dbraw/zinc/40/11/28/1189401128.db2.gz RBRJUSGLHYAHGC-HUUCEWRRSA-N 1 0 301.434 3.201 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)Cc1ccno1 ZINC001560890807 1189401203 /nfs/dbraw/zinc/40/12/03/1189401203.db2.gz RBRJUSGLHYAHGC-CABCVRRESA-N 1 0 301.434 3.201 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1Cl ZINC001560909034 1189404821 /nfs/dbraw/zinc/40/48/21/1189404821.db2.gz IWSMRGQRDGNSMQ-HZPDHXFCSA-N 1 0 308.853 3.461 20 10 DGCDRO Cc1cc(CC[NH2+][C@H]2CCCN(C)C2)c(C)n1-c1ccccc1 ZINC001560956576 1189410296 /nfs/dbraw/zinc/41/02/96/1189410296.db2.gz BGAIRXATEAACFK-IBGZPJMESA-N 1 0 311.473 3.320 20 10 DGCDRO COc1cc(CC[NH2+]Cc2ccc3ccccc3c2O)ccn1 ZINC001560961519 1189411589 /nfs/dbraw/zinc/41/15/89/1189411589.db2.gz ITHGVKZTESWEPP-UHFFFAOYSA-N 1 0 308.381 3.281 20 10 DGCDRO O=c1[nH]c2c(cc1C[NH2+]Cc1ccc(Cl)cc1O)CCCC2 ZINC001560976466 1189413476 /nfs/dbraw/zinc/41/34/76/1189413476.db2.gz MHZUUNMWMGBVRH-UHFFFAOYSA-N 1 0 318.804 3.315 20 10 DGCDRO CC/C=C(\C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567092019 1190028383 /nfs/dbraw/zinc/02/83/83/1190028383.db2.gz SVKJITGLNOTZCJ-ZZZKQGFOSA-N 1 0 316.445 3.050 20 10 DGCDRO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)C(C)C)cc1C ZINC001570669646 1190914690 /nfs/dbraw/zinc/91/46/90/1190914690.db2.gz GALVQXVOSGYCTN-UHFFFAOYSA-N 1 0 320.477 3.234 20 10 DGCDRO CC(C)c1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC001575858869 1191512931 /nfs/dbraw/zinc/51/29/31/1191512931.db2.gz SSLCGYIBCFGZDE-ZIAGYGMSSA-N 1 0 316.367 3.227 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC001620481895 1193772102 /nfs/dbraw/zinc/77/21/02/1193772102.db2.gz UZNKASBQMADKHY-UXHICEINSA-N 1 0 310.441 3.451 20 10 DGCDRO C[C@@H](COc1cccc(F)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001620741380 1193796595 /nfs/dbraw/zinc/79/65/95/1193796595.db2.gz DPSNWTDONKBAFB-ZDUSSCGKSA-N 1 0 301.361 3.318 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC3(CCC3)CO2)cc1F ZINC001621069617 1193798322 /nfs/dbraw/zinc/79/83/22/1193798322.db2.gz FRYODIMQDFRGDJ-CQSZACIVSA-N 1 0 324.415 3.470 20 10 DGCDRO CCc1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001621097686 1193801527 /nfs/dbraw/zinc/80/15/27/1193801527.db2.gz LXFPYZCOSNDCTP-IBGZPJMESA-N 1 0 315.461 3.301 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c(O)c1 ZINC001621535181 1193855429 /nfs/dbraw/zinc/85/54/29/1193855429.db2.gz NESNXIIVFVJWIM-CQSZACIVSA-N 1 0 305.418 3.291 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1C[C@H]1C1CC1 ZINC001621557919 1193858666 /nfs/dbraw/zinc/85/86/66/1193858666.db2.gz XIEOLCNLLNHGBF-QRKUABHPSA-N 1 0 315.505 3.380 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3CC(C)(C)C3)CC2)cc1F ZINC001644919631 1195143025 /nfs/dbraw/zinc/14/30/25/1195143025.db2.gz UPQNDQRPNSZSLU-UHFFFAOYSA-N 1 0 306.425 3.393 20 10 DGCDRO C[C@@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC001646075761 1195213436 /nfs/dbraw/zinc/21/34/36/1195213436.db2.gz JGSZJVUCLGQZTK-AWEZNQCLSA-N 1 0 306.450 3.162 20 10 DGCDRO C[C@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC001646075762 1195213637 /nfs/dbraw/zinc/21/36/37/1195213637.db2.gz JGSZJVUCLGQZTK-CQSZACIVSA-N 1 0 306.450 3.162 20 10 DGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H]2CCO[C@@H]21 ZINC001647026842 1195240468 /nfs/dbraw/zinc/24/04/68/1195240468.db2.gz VBCYMDSQZPZQNP-KURKYZTESA-N 1 0 300.446 3.190 20 10 DGCDRO O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001647794933 1195254283 /nfs/dbraw/zinc/25/42/83/1195254283.db2.gz USUAYJIPOJFESX-QAPCUYQASA-N 1 0 324.424 3.179 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC001648706590 1195324844 /nfs/dbraw/zinc/32/48/44/1195324844.db2.gz KBSLRVXBEUXDPR-UHFFFAOYSA-N 1 0 320.383 3.372 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC001648745173 1195328132 /nfs/dbraw/zinc/32/81/32/1195328132.db2.gz PZOHDNWBNPPPLE-XFHJGTJQSA-N 1 0 324.424 3.195 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)Cn2ccnc2)cc1F ZINC001648779956 1195331100 /nfs/dbraw/zinc/33/11/00/1195331100.db2.gz PDZLXPAMVJXHBV-AWEZNQCLSA-N 1 0 304.413 3.047 20 10 DGCDRO CCC1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCC1 ZINC001651104840 1195414404 /nfs/dbraw/zinc/41/44/04/1195414404.db2.gz CJBWIGMFMXKYMU-UHFFFAOYSA-N 1 0 319.468 3.390 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C(=O)OC(C)(C)C ZINC001651592170 1195484303 /nfs/dbraw/zinc/48/43/03/1195484303.db2.gz QTCTVXDDUPKBQT-OAHLLOKOSA-N 1 0 319.445 3.469 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001651902451 1195522006 /nfs/dbraw/zinc/52/20/06/1195522006.db2.gz IGUZODBUWCSRAC-MRXNPFEDSA-N 1 0 308.853 3.496 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC001651929233 1195525566 /nfs/dbraw/zinc/52/55/66/1195525566.db2.gz FNOKPCMUZKBIHF-UHFFFAOYSA-N 1 0 310.388 3.121 20 10 DGCDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC001652474667 1195603559 /nfs/dbraw/zinc/60/35/59/1195603559.db2.gz MTTNPCVRNYPVSD-ZWKOTPCHSA-N 1 0 302.462 3.450 20 10 DGCDRO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(Cl)cc2O)nn1 ZINC001652684366 1195636044 /nfs/dbraw/zinc/63/60/44/1195636044.db2.gz IUIPTAAVGIADGJ-UHFFFAOYSA-N 1 0 308.813 3.243 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@@H](OCC)C3CC3)CC2)cc1 ZINC001652963905 1195675628 /nfs/dbraw/zinc/67/56/28/1195675628.db2.gz CSZKCHGOWJTMIY-LJQANCHMSA-N 1 0 318.461 3.022 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]Cc2nn(C)cc2C(F)F)c1 ZINC001652983415 1195677130 /nfs/dbraw/zinc/67/71/30/1195677130.db2.gz RVXMMTXYHUDXTH-UHFFFAOYSA-N 1 0 309.360 3.477 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2noc3ccc(F)cc23)c1O ZINC001652986392 1195678380 /nfs/dbraw/zinc/67/83/80/1195678380.db2.gz ICVFHFLAMACXKS-UHFFFAOYSA-N 1 0 316.332 3.279 20 10 DGCDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c(O)cc(C)cc1Cl)C2 ZINC001653031242 1195681512 /nfs/dbraw/zinc/68/15/12/1195681512.db2.gz MSWQFNKLJJAVPT-SJCJKPOMSA-N 1 0 323.820 3.129 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(C(C)C)ccc2O)C1 ZINC001653218923 1195699903 /nfs/dbraw/zinc/69/99/03/1195699903.db2.gz HGKUMZBGEDQWEO-CJNGLKHVSA-N 1 0 305.418 3.337 20 10 DGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001653222422 1195700991 /nfs/dbraw/zinc/70/09/91/1195700991.db2.gz TXWKUEWBNASIMN-FHWLQOOXSA-N 1 0 303.494 3.380 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCOc2ccccc2F)cc1F ZINC001655226430 1195893256 /nfs/dbraw/zinc/89/32/56/1195893256.db2.gz NHZOLBUCDGRXTI-UHFFFAOYSA-N 1 0 324.346 3.339 20 10 DGCDRO C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCC[C@@H](C)C1 ZINC001655283038 1195899196 /nfs/dbraw/zinc/89/91/96/1195899196.db2.gz WYJJPMSUIYFKII-HEAXLZMOSA-N 1 0 315.505 3.476 20 10 DGCDRO C[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCC[C@@H](C)C1 ZINC001655283040 1195899871 /nfs/dbraw/zinc/89/98/71/1195899871.db2.gz WYJJPMSUIYFKII-JJEILDCCSA-N 1 0 315.505 3.476 20 10 DGCDRO COC(=O)C(C)(C)C[N@@H+](Cc1ccc(N(C)C)cc1)CC(C)C ZINC001655447529 1195919613 /nfs/dbraw/zinc/91/96/13/1195919613.db2.gz INMOFNNZCHPVEM-UHFFFAOYSA-N 1 0 320.477 3.410 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC001655684401 1195949213 /nfs/dbraw/zinc/94/92/13/1195949213.db2.gz JWWCCPAOGXGYNG-INIZCTEOSA-N 1 0 316.445 3.020 20 10 DGCDRO CCN1CCCC[C@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001656461657 1196042345 /nfs/dbraw/zinc/04/23/45/1196042345.db2.gz CAUSMQDGXWQZDD-UCFODXPJSA-N 1 0 301.478 3.230 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC001657056227 1196097189 /nfs/dbraw/zinc/09/71/89/1196097189.db2.gz NNSADDRUORZNGA-RAEMOODJSA-N 1 0 300.446 3.313 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC001657190914 1196117255 /nfs/dbraw/zinc/11/72/55/1196117255.db2.gz JRFXEVYEMKWFQP-OAHLLOKOSA-N 1 0 305.418 3.101 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC001657190913 1196117270 /nfs/dbraw/zinc/11/72/70/1196117270.db2.gz JRFXEVYEMKWFQP-HNNXBMFYSA-N 1 0 305.418 3.101 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCCNC(=O)C2CCC2)cc1C ZINC001657369024 1196134665 /nfs/dbraw/zinc/13/46/65/1196134665.db2.gz QFJKTSVXJWEKEJ-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO COc1ccc(C[NH2+]C(C)(C)C(C)C)cc1Cn1cccn1 ZINC001657633626 1196163403 /nfs/dbraw/zinc/16/34/03/1196163403.db2.gz PKVWTBNBELMBIJ-UHFFFAOYSA-N 1 0 301.434 3.464 20 10 DGCDRO CN(CC1CCSCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC001657689726 1196170249 /nfs/dbraw/zinc/17/02/49/1196170249.db2.gz LOSNFNMVCUYJJP-UHFFFAOYSA-N 1 0 308.491 3.206 20 10 DGCDRO CCC[N@H+](Cc1cc(C)cc(OC)c1O)[C@@H](CC)C(=O)OCC ZINC001657761416 1196175703 /nfs/dbraw/zinc/17/57/03/1196175703.db2.gz HHWBUHIJBOQQBA-HNNXBMFYSA-N 1 0 323.433 3.263 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc2n1CCCC2 ZINC001657943585 1196195573 /nfs/dbraw/zinc/19/55/73/1196195573.db2.gz SKDRVFABXHZBTO-UHFFFAOYSA-N 1 0 308.429 3.309 20 10 DGCDRO Oc1cc(F)c(CC[NH2+]Cc2c(O)cccc2Cl)c(F)c1 ZINC001658058832 1196207326 /nfs/dbraw/zinc/20/73/26/1196207326.db2.gz BYWCYVWBMVGUAJ-UHFFFAOYSA-N 1 0 313.731 3.362 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC001658087057 1196210448 /nfs/dbraw/zinc/21/04/48/1196210448.db2.gz MQEVNLLNGSNBEA-GJZGRUSLSA-N 1 0 318.383 3.098 20 10 DGCDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001658102529 1196211983 /nfs/dbraw/zinc/21/19/83/1196211983.db2.gz RNTSQRAEJWNFIR-HOTGVXAUSA-N 1 0 310.388 3.078 20 10 DGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001658102530 1196212033 /nfs/dbraw/zinc/21/20/33/1196212033.db2.gz RNTSQRAEJWNFIR-HZPDHXFCSA-N 1 0 310.388 3.078 20 10 DGCDRO CNC(=O)CC1(C[NH2+]Cc2ccc(Cl)cc2O)CCCCC1 ZINC001658605594 1196279546 /nfs/dbraw/zinc/27/95/46/1196279546.db2.gz DUCHXXFUNJMINA-UHFFFAOYSA-N 1 0 324.852 3.222 20 10 DGCDRO CC1([NH2+]Cc2ccc3c(c2)CCCO3)CCC2(CC1)OCCO2 ZINC001658747929 1196295903 /nfs/dbraw/zinc/29/59/03/1196295903.db2.gz PMVIAYKGSFDVKG-UHFFFAOYSA-N 1 0 317.429 3.177 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCN(C)c3ncccc3C2)cc1 ZINC001658776447 1196299967 /nfs/dbraw/zinc/29/99/67/1196299967.db2.gz XCKGEWREPRCADJ-AATRIKPKSA-N 1 0 322.456 3.113 20 10 DGCDRO C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC001658777795 1196300070 /nfs/dbraw/zinc/30/00/70/1196300070.db2.gz IZBMUWBGERSACK-DUFXMDAXSA-N 1 0 315.244 3.129 20 10 DGCDRO Cc1nc2c(cccc2CC[NH2+]Cc2cc(F)ccc2O)o1 ZINC001658864435 1196311384 /nfs/dbraw/zinc/31/13/84/1196311384.db2.gz BMCLAEZHTSCRNN-UHFFFAOYSA-N 1 0 300.333 3.313 20 10 DGCDRO COc1cc(Cl)cc(CNc2cc(N(C)C)cc[nH+]2)c1O ZINC001659198669 1196357843 /nfs/dbraw/zinc/35/78/43/1196357843.db2.gz ZLPRHNRDHSNSMI-UHFFFAOYSA-N 1 0 307.781 3.127 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC001659476445 1196386667 /nfs/dbraw/zinc/38/66/67/1196386667.db2.gz ZJZSXVDXRDHLFF-AWEZNQCLSA-N 1 0 319.788 3.365 20 10 DGCDRO C[NH+](C)CCc1ccccc1NCc1cc(F)c(F)cc1O ZINC001659509498 1196389796 /nfs/dbraw/zinc/38/97/96/1196389796.db2.gz CCULCEKMFIPQCQ-UHFFFAOYSA-N 1 0 306.356 3.387 20 10 DGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C(C)C)ccc2O)C[C@H]1C1CC1 ZINC001659553521 1196395268 /nfs/dbraw/zinc/39/52/68/1196395268.db2.gz UOYQUMPYRKGRNM-DLBZAZTESA-N 1 0 317.429 3.147 20 10 DGCDRO O=C1[C@@H]([NH2+]Cc2ccc(Cl)cc2O)CCN1C1CCCCC1 ZINC001659730866 1196409065 /nfs/dbraw/zinc/40/90/65/1196409065.db2.gz XKHZWDIGUKFUNS-HNNXBMFYSA-N 1 0 322.836 3.069 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(Br)n1)c1ccccc1O ZINC001659815269 1196417552 /nfs/dbraw/zinc/41/75/52/1196417552.db2.gz CUHDLNVAKQQUEE-SNVBAGLBSA-N 1 0 307.191 3.401 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c(O)c1 ZINC001659952186 1196432133 /nfs/dbraw/zinc/43/21/33/1196432133.db2.gz LAZMITWHJACKPF-VQIMIIECSA-N 1 0 310.441 3.453 20 10 DGCDRO C[C@@H](C[N@H+](C)Cc1ccc(Cl)cc1O)C(=O)OC(C)(C)C ZINC001659987824 1196435080 /nfs/dbraw/zinc/43/50/80/1196435080.db2.gz QPTGXUVSFYXPML-NSHDSACASA-N 1 0 313.825 3.455 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3c(F)cccc3F)CC2)c(O)c1 ZINC001660116217 1196447483 /nfs/dbraw/zinc/44/74/83/1196447483.db2.gz VXYZDZSUZAYFTA-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC001660570910 1196498399 /nfs/dbraw/zinc/49/83/99/1196498399.db2.gz SITTUGYXQQKOFQ-KRWDZBQOSA-N 1 0 311.360 3.259 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+]Cc2c(C)c3ccccc3n2C)cc1 ZINC001660898651 1196540193 /nfs/dbraw/zinc/54/01/93/1196540193.db2.gz QTRNGRYFNCVCBJ-HXUWFJFHSA-N 1 0 324.424 3.319 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)N[C@H](C)CC)cc1C ZINC001661224247 1196585138 /nfs/dbraw/zinc/58/51/38/1196585138.db2.gz KYAMQLXZVVXXLZ-CABCVRRESA-N 1 0 306.450 3.177 20 10 DGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001661507930 1196613561 /nfs/dbraw/zinc/61/35/61/1196613561.db2.gz UXIALTBEZYMTQL-LSDHHAIUSA-N 1 0 307.457 3.102 20 10 DGCDRO CC(C)CC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001661905466 1196661080 /nfs/dbraw/zinc/66/10/80/1196661080.db2.gz NCGHBBHOVGNXAV-UHFFFAOYSA-N 1 0 315.505 3.354 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCC2(C)CC2)cc1C ZINC001662377230 1196713676 /nfs/dbraw/zinc/71/36/76/1196713676.db2.gz FYDRKSUXKAEYGA-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@H](C)[C@@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)OC ZINC001664200080 1196979290 /nfs/dbraw/zinc/97/92/90/1196979290.db2.gz VXDUOJGFIYFODO-MAUKXSAKSA-N 1 0 308.466 3.124 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc3cc(Cl)cnc3o2)c(O)c1 ZINC001664450655 1197001008 /nfs/dbraw/zinc/00/10/08/1197001008.db2.gz QNGIAKXRQZUJAW-UHFFFAOYSA-N 1 0 318.760 3.485 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC001664551987 1197013110 /nfs/dbraw/zinc/01/31/10/1197013110.db2.gz OGAWPZOQEZQCDQ-OAHLLOKOSA-N 1 0 319.445 3.286 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@](C)(OC)c2ccccc2)c(O)c1 ZINC001664766643 1197055399 /nfs/dbraw/zinc/05/53/99/1197055399.db2.gz QZODPQFYUJPHIL-LJQANCHMSA-N 1 0 315.413 3.361 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)CC1CCCCC1 ZINC001665042067 1197090050 /nfs/dbraw/zinc/09/00/50/1197090050.db2.gz UCOJCEDBPSMPEK-GOSISDBHSA-N 1 0 304.478 3.482 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCC(=O)OC(C)(C)C ZINC001665076427 1197094871 /nfs/dbraw/zinc/09/48/71/1197094871.db2.gz NIDHRCGDCAXRCM-UHFFFAOYSA-N 1 0 306.450 3.273 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCOCC23CCCC3)c1O ZINC001665926255 1197217635 /nfs/dbraw/zinc/21/76/35/1197217635.db2.gz OOIGSBZDOPTHKH-INIZCTEOSA-N 1 0 305.418 3.148 20 10 DGCDRO CC/C=C(/C)C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001668731772 1197427594 /nfs/dbraw/zinc/42/75/94/1197427594.db2.gz LPKDKTAEECZWBW-WEWPEUQNSA-N 1 0 316.445 3.122 20 10 DGCDRO CC[C@H](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001669280725 1197447004 /nfs/dbraw/zinc/44/70/04/1197447004.db2.gz MDHVMGKYOODBBU-DZGCQCFKSA-N 1 0 306.450 3.034 20 10 DGCDRO C/C=C(\C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001673156061 1197640984 /nfs/dbraw/zinc/64/09/84/1197640984.db2.gz NHGHRBXCYRCYJA-LHHJGKSTSA-N 1 0 316.445 3.098 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCc1nnc2ccccn21 ZINC000323914135 1197691005 /nfs/dbraw/zinc/69/10/05/1197691005.db2.gz GSRFIUGLPJUKOG-KGLIPLIRSA-N 1 0 322.412 3.124 20 10 DGCDRO CCc1nnc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)s1 ZINC000391877719 1197717265 /nfs/dbraw/zinc/71/72/65/1197717265.db2.gz RUCJBTUSCRPERW-QWRGUYRKSA-N 1 0 303.431 3.453 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CCCC2)cc1C ZINC001674618665 1197803069 /nfs/dbraw/zinc/80/30/69/1197803069.db2.gz MFLQRKUUKUBSPS-LSDHHAIUSA-N 1 0 318.461 3.177 20 10 DGCDRO CCC[NH+](CCC)CCCNC(=O)N[C@H](C)c1ccccc1O ZINC001683864328 1199312634 /nfs/dbraw/zinc/31/26/34/1199312634.db2.gz UAVYZGMGVPTFMO-OAHLLOKOSA-N 1 0 321.465 3.265 20 10 DGCDRO CC[C@H](CNC(=O)CC1(C)CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698607171 1201276496 /nfs/dbraw/zinc/27/64/96/1201276496.db2.gz HGPYKNSQHATONS-MRXNPFEDSA-N 1 0 318.461 3.178 20 10 DGCDRO CC/C(C)=C\C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001699651343 1202014625 /nfs/dbraw/zinc/01/46/25/1202014625.db2.gz BEIIXXLILSVXTC-UVTDQMKNSA-N 1 0 316.445 3.098 20 10 DGCDRO CC/C=C(/C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700740044 1202346280 /nfs/dbraw/zinc/34/62/80/1202346280.db2.gz XQCPQTKJVUKWTI-VCHSTOLQSA-N 1 0 318.461 3.296 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCNC(=O)OC(C)(C)C ZINC000230660225 1202598604 /nfs/dbraw/zinc/59/86/04/1202598604.db2.gz LKXOVHJNZNNSKR-CHWSQXEVSA-N 1 0 320.433 3.363 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1Cc1ccccc1 ZINC000237485281 1202675346 /nfs/dbraw/zinc/67/53/46/1202675346.db2.gz NDHZPSXQJVBARO-OXQOHEQNSA-N 1 0 322.452 3.374 20 10 DGCDRO Cc1cc(C(=O)N(C)[C@H](C)C[NH3+])c(C)n1-c1cc(C)cc(C)c1 ZINC000237636418 1202685211 /nfs/dbraw/zinc/68/52/11/1202685211.db2.gz RKNPUGFVFJKDNL-OAHLLOKOSA-N 1 0 313.445 3.130 20 10 DGCDRO CC/C(C)=C\C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715055378 1203257133 /nfs/dbraw/zinc/25/71/33/1203257133.db2.gz GNZZULAUCGTKBO-OOXMNIKJSA-N 1 0 318.461 3.344 20 10 DGCDRO CC[C@H](CNC(=O)[C@H](C)C(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715073265 1203263761 /nfs/dbraw/zinc/26/37/61/1203263761.db2.gz HWOJJAZMFPACSQ-NVXWUHKLSA-N 1 0 320.477 3.280 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2(C)CCC2)cc1C ZINC001716166463 1203445018 /nfs/dbraw/zinc/44/50/18/1203445018.db2.gz JXQUWUXOZFICKR-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO CCC[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001716677537 1203523294 /nfs/dbraw/zinc/52/32/94/1203523294.db2.gz BEYMEXDJYWXDOI-AWEZNQCLSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001725398444 1204145468 /nfs/dbraw/zinc/14/54/68/1204145468.db2.gz NMPWIFPNWZLOSF-FRFSOERESA-N 1 0 318.461 3.034 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2cc(C)oc2C)cc1OC ZINC000181298398 1204336581 /nfs/dbraw/zinc/33/65/81/1204336581.db2.gz HYHCVAAFXJTRBL-NSHDSACASA-N 1 0 305.374 3.470 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](C)c2cc(C)oc2C)cc1OC ZINC000181298376 1204336588 /nfs/dbraw/zinc/33/65/88/1204336588.db2.gz HYHCVAAFXJTRBL-LLVKDONJSA-N 1 0 305.374 3.470 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC2(C)C)cc1C ZINC001732686682 1204929153 /nfs/dbraw/zinc/92/91/53/1204929153.db2.gz VFRICPZQXZMSJR-HOCLYGCPSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C=C2CCC2)cc1C ZINC001733970272 1205274912 /nfs/dbraw/zinc/27/49/12/1205274912.db2.gz OZYBCNGKVFXARS-GJZGRUSLSA-N 1 0 316.445 3.097 20 10 DGCDRO C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593208877 994231588 /nfs/dbraw/zinc/23/15/88/994231588.db2.gz KIJWOKUZQQQXBR-LRDDRELGSA-N 1 0 322.449 3.107 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc1Br ZINC001233142843 1098236829 /nfs/dbraw/zinc/23/68/29/1098236829.db2.gz ZCQRXZFSAUTZDX-SKDRFNHKSA-N 1 0 312.207 3.148 20 10 DGCDRO CCOC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001169664604 1081623472 /nfs/dbraw/zinc/62/34/72/1081623472.db2.gz PWTKAFQTVORFHS-OAHLLOKOSA-N 1 0 320.433 3.110 20 10 DGCDRO CC[C@]1(C)C[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169766463 1081651062 /nfs/dbraw/zinc/65/10/62/1081651062.db2.gz RHPSRGGBUICJCT-VQIMIIECSA-N 1 0 318.461 3.036 20 10 DGCDRO Cc1ncc(C[NH2+]Cc2ccc(Br)cc2O)s1 ZINC000691439058 1081715442 /nfs/dbraw/zinc/71/54/42/1081715442.db2.gz APKLIPOHOAJQIK-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO C[C@H]1C[C@H]1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001209428132 1081745852 /nfs/dbraw/zinc/74/58/52/1081745852.db2.gz RHBVQYRIUVZJPM-STQMWFEESA-N 1 0 314.351 3.363 20 10 DGCDRO CC(C)[C@@H](CC[NH2+]Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000693050488 1081837209 /nfs/dbraw/zinc/83/72/09/1081837209.db2.gz IFVWMOVJHGWWGO-OAHLLOKOSA-N 1 0 322.449 3.421 20 10 DGCDRO CSCC[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691469017 1081858481 /nfs/dbraw/zinc/85/84/81/1081858481.db2.gz VRHVDXTZSFAUCQ-VIFPVBQESA-N 1 0 304.253 3.386 20 10 DGCDRO COCC1(C[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000691475557 1081862962 /nfs/dbraw/zinc/86/29/62/1081862962.db2.gz ATHHCYPDYLJGJL-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000691511565 1081955088 /nfs/dbraw/zinc/95/50/88/1081955088.db2.gz KXGOUEXBICLJNN-HNNXBMFYSA-N 1 0 320.433 3.054 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCOCC2)c1O ZINC001658605685 1082080668 /nfs/dbraw/zinc/08/06/68/1082080668.db2.gz OYJBHCRQZJWQCU-CYBMUJFWSA-N 1 0 314.223 3.122 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)c(OC)c1 ZINC001170159244 1082267484 /nfs/dbraw/zinc/26/74/84/1082267484.db2.gz RWZNJZKMXYEWNG-CABCVRRESA-N 1 0 304.434 3.014 20 10 DGCDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001648913699 1082320379 /nfs/dbraw/zinc/32/03/79/1082320379.db2.gz DXJNRWSOUCOLJI-CVEARBPZSA-N 1 0 302.462 3.222 20 10 DGCDRO C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001170248038 1082333813 /nfs/dbraw/zinc/33/38/13/1082333813.db2.gz LULJAJNNWMEWGD-PIGZYNQJSA-N 1 0 321.804 3.005 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H](C)C2)cc1C ZINC001167597126 1082583840 /nfs/dbraw/zinc/58/38/40/1082583840.db2.gz QIFAMTSPKRACIX-RHSMWYFYSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H](C)C2)cc1C ZINC001167597127 1082584234 /nfs/dbraw/zinc/58/42/34/1082584234.db2.gz QIFAMTSPKRACIX-WMLDXEAASA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c(C)c1OC ZINC001167625576 1082619200 /nfs/dbraw/zinc/61/92/00/1082619200.db2.gz VZBNZZXJXMZHHX-UHFFFAOYSA-N 1 0 306.450 3.497 20 10 DGCDRO Oc1cccc(C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)c1O ZINC001170670230 1083072593 /nfs/dbraw/zinc/07/25/93/1083072593.db2.gz RDJBTICWNQLLEQ-CYBMUJFWSA-N 1 0 305.324 3.023 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@]2(C)CCC[C@@H]2C)cc1C ZINC001133444775 1083126553 /nfs/dbraw/zinc/12/65/53/1083126553.db2.gz ZKINSGPCLMXTMQ-KXBFYZLASA-N 1 0 318.461 3.036 20 10 DGCDRO CCC[C@@H](C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001134567446 1083307054 /nfs/dbraw/zinc/30/70/54/1083307054.db2.gz XSJRSJKGGXKCAT-QGZVFWFLSA-N 1 0 320.477 3.282 20 10 DGCDRO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001181112831 1083407658 /nfs/dbraw/zinc/40/76/58/1083407658.db2.gz NJGPASYLOGTPKI-XJKSGUPXSA-N 1 0 305.418 3.289 20 10 DGCDRO CC/C=C(\C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181378274 1083457154 /nfs/dbraw/zinc/45/71/54/1083457154.db2.gz SVKJITGLNOTZCJ-VNOAQLAMSA-N 1 0 316.445 3.050 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222254026 1083576815 /nfs/dbraw/zinc/57/68/15/1083576815.db2.gz UZIWXTGHTLEAND-HNNXBMFYSA-N 1 0 315.244 3.417 20 10 DGCDRO CC/C(C)=C\C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001182405122 1083703914 /nfs/dbraw/zinc/70/39/14/1083703914.db2.gz BCRITJFSCBWPOQ-OOXMNIKJSA-N 1 0 316.445 3.050 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1 ZINC001182567494 1083754781 /nfs/dbraw/zinc/75/47/81/1083754781.db2.gz ZELWYIOMIJWGQS-OAHLLOKOSA-N 1 0 304.434 3.005 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC001182959956 1083844532 /nfs/dbraw/zinc/84/45/32/1083844532.db2.gz OJGAXRKXBNIBQA-UHFFFAOYSA-N 1 0 322.449 3.341 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1c2ccccc2CN1C ZINC001183393919 1083936695 /nfs/dbraw/zinc/93/66/95/1083936695.db2.gz BUNRWXQKEQLRNR-FQEVSTJZSA-N 1 0 309.457 3.337 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCN1C1CCCCCC1 ZINC001183379861 1083941411 /nfs/dbraw/zinc/94/14/11/1083941411.db2.gz URDXGXZJFQKZPM-KRWDZBQOSA-N 1 0 306.425 3.418 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C2=CCCCCC2)cc1C ZINC001126214263 1083975389 /nfs/dbraw/zinc/97/53/89/1083975389.db2.gz CFLNGHQUTNPCLD-UHFFFAOYSA-N 1 0 316.445 3.100 20 10 DGCDRO COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cc1C ZINC001560183083 1126208755 /nfs/dbraw/zinc/20/87/55/1126208755.db2.gz KWCKYLYQCVLGFQ-LJQANCHMSA-N 1 0 317.404 3.226 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C(C)C)cc1C ZINC001271128517 1086348694 /nfs/dbraw/zinc/34/86/94/1086348694.db2.gz CZFLNOPHRDOPCE-HZPDHXFCSA-N 1 0 320.477 3.232 20 10 DGCDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001168149152 1086988089 /nfs/dbraw/zinc/98/80/89/1086988089.db2.gz LHHCXYTXHYMUOM-PIGZYNQJSA-N 1 0 321.804 3.005 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001142590634 1087373211 /nfs/dbraw/zinc/37/32/11/1087373211.db2.gz JUUCPSVKUODELM-SFHVURJKSA-N 1 0 318.461 3.089 20 10 DGCDRO COc1nc2ccccc2cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001649005711 1087431967 /nfs/dbraw/zinc/43/19/67/1087431967.db2.gz QYGFNJMZCQGRNU-UHFFFAOYSA-N 1 0 320.392 3.468 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1O ZINC001233110172 1087650472 /nfs/dbraw/zinc/65/04/72/1087650472.db2.gz XMJZWHWGIPFFPA-XDTLVQLUSA-N 1 0 314.198 3.395 20 10 DGCDRO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)ccc2O)C1=O ZINC001272623270 1088330649 /nfs/dbraw/zinc/33/06/49/1088330649.db2.gz YOBZNSMGWOKPCG-KXBFYZLASA-N 1 0 316.445 3.066 20 10 DGCDRO Nc1ccc(N(CC2CC[NH2+]CC2)c2ccc(F)cc2N)cc1 ZINC001160092412 1088636843 /nfs/dbraw/zinc/63/68/43/1088636843.db2.gz RAYNTMRYRDUTCH-UHFFFAOYSA-N 1 0 314.408 3.128 20 10 DGCDRO C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC001154667937 1088701220 /nfs/dbraw/zinc/70/12/20/1088701220.db2.gz AEBBDNCMSHANOY-YXJHDRRASA-N 1 0 317.477 3.050 20 10 DGCDRO Cc1cnc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cn1 ZINC001155630600 1089193438 /nfs/dbraw/zinc/19/34/38/1089193438.db2.gz PMMBFAFMDSNVSS-JRBPQWBISA-N 1 0 324.472 3.184 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]([NH3+])C(C)(C)C ZINC001157434249 1089965548 /nfs/dbraw/zinc/96/55/48/1089965548.db2.gz OALXKYLHOZACPV-HOTGVXAUSA-N 1 0 318.461 3.122 20 10 DGCDRO CCC[C@H](C)CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124613392 1090312701 /nfs/dbraw/zinc/31/27/01/1090312701.db2.gz NBETUYSFNLXFAY-AWEZNQCLSA-N 1 0 306.450 3.036 20 10 DGCDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1O ZINC001272765421 1090561293 /nfs/dbraw/zinc/56/12/93/1090561293.db2.gz HXQZRBHYKAJIFV-USXIJHARSA-N 1 0 316.445 3.064 20 10 DGCDRO Nc1ccc(OC(=O)c2ccc(Nc3cccnc3N)cc2)cc1 ZINC001212405884 1090627481 /nfs/dbraw/zinc/62/74/81/1090627481.db2.gz NBJOEUUMXTWIAB-UHFFFAOYSA-N 1 0 320.352 3.209 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCN(C)CC(F)F)cc1C ZINC001203294360 1090715223 /nfs/dbraw/zinc/71/52/23/1090715223.db2.gz IVKMMBLNDUJOMN-UHFFFAOYSA-N 1 0 300.393 3.070 20 10 DGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)[C@H]1c1ccccc1 ZINC001203551971 1090753913 /nfs/dbraw/zinc/75/39/13/1090753913.db2.gz VOXMSFBKQKCPDC-AEFFLSMTSA-N 1 0 311.381 3.128 20 10 DGCDRO Oc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001203552742 1090754181 /nfs/dbraw/zinc/75/41/81/1090754181.db2.gz RUCUVWXGQGPGRK-HHXXYDBFSA-N 1 0 301.430 3.419 20 10 DGCDRO NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC001203558502 1090755172 /nfs/dbraw/zinc/75/51/72/1090755172.db2.gz LFKVYTHCNJZIKO-IEBWSBKVSA-N 1 0 324.424 3.016 20 10 DGCDRO CC(C)c1noc([C@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC001203558732 1090755529 /nfs/dbraw/zinc/75/55/29/1090755529.db2.gz ZCLCVXFWPSGHSZ-AWEZNQCLSA-N 1 0 301.390 3.278 20 10 DGCDRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203556405 1090755863 /nfs/dbraw/zinc/75/58/63/1090755863.db2.gz OZOXYHFJXLKAAF-KRWDZBQOSA-N 1 0 319.445 3.047 20 10 DGCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203556407 1090756045 /nfs/dbraw/zinc/75/60/45/1090756045.db2.gz OZOXYHFJXLKAAF-QGZVFWFLSA-N 1 0 319.445 3.047 20 10 DGCDRO CC1(C)[N@H+](Cc2ccccc2O)CC[C@@]12c1ccccc1OC2=O ZINC001203560905 1090757274 /nfs/dbraw/zinc/75/72/74/1090757274.db2.gz KGECHANOYHBXGN-FQEVSTJZSA-N 1 0 323.392 3.234 20 10 DGCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]21 ZINC001203584752 1090761494 /nfs/dbraw/zinc/76/14/94/1090761494.db2.gz FCZIBAAXQAJMAT-YGRLFVJLSA-N 1 0 315.244 3.225 20 10 DGCDRO CCOc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c1O ZINC001203609992 1090766168 /nfs/dbraw/zinc/76/61/68/1090766168.db2.gz QVHHAFRDHFJGMB-KBMXLJTQSA-N 1 0 305.418 3.038 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c(O)c1 ZINC001203630356 1090769408 /nfs/dbraw/zinc/76/94/08/1090769408.db2.gz QQCVACSWSKCTIP-QGZVFWFLSA-N 1 0 317.360 3.193 20 10 DGCDRO CCC(=O)N(CC)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203665662 1090775138 /nfs/dbraw/zinc/77/51/38/1090775138.db2.gz SBNXCGMIBLEYSF-UHFFFAOYSA-N 1 0 324.852 3.269 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1Cc2ccccc2O1 ZINC001203665681 1090775366 /nfs/dbraw/zinc/77/53/66/1090775366.db2.gz UDKCLUQHMJFFCQ-HNNXBMFYSA-N 1 0 303.789 3.481 20 10 DGCDRO Oc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1O ZINC001203878610 1090825264 /nfs/dbraw/zinc/82/52/64/1090825264.db2.gz ICMNDKIZTPTULU-UHFFFAOYSA-N 1 0 317.360 3.280 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)cc1 ZINC001203929931 1090841821 /nfs/dbraw/zinc/84/18/21/1090841821.db2.gz JHLQIKUQXBKVTD-CQSZACIVSA-N 1 0 304.331 3.477 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)cc1 ZINC001203931796 1090842833 /nfs/dbraw/zinc/84/28/33/1090842833.db2.gz WQJBQPDEJOIJLY-UHFFFAOYSA-N 1 0 310.397 3.040 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC001203934360 1090842923 /nfs/dbraw/zinc/84/29/23/1090842923.db2.gz SFISKPBDTKJAOO-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO CN(C)c1ccc(CN2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001203937925 1090844209 /nfs/dbraw/zinc/84/42/09/1090844209.db2.gz ZXJHKAGTQQNGEV-UHFFFAOYSA-N 1 0 319.468 3.151 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c2ccccc21 ZINC001204232361 1090929150 /nfs/dbraw/zinc/92/91/50/1090929150.db2.gz BFRCPFJEHSGOCD-MJGOQNOKSA-N 1 0 316.420 3.201 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnn(C)c2)c2ccccc21 ZINC001204232370 1090929199 /nfs/dbraw/zinc/92/91/99/1090929199.db2.gz BKRAMTQVNYRWIG-UHFFFAOYSA-N 1 0 308.429 3.271 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c2ccccc21 ZINC001204240389 1090931438 /nfs/dbraw/zinc/93/14/38/1090931438.db2.gz QXKGVIARFUIZRR-DYESRHJHSA-N 1 0 323.484 3.432 20 10 DGCDRO Cc1nc(CC[N@@H+](C)Cc2ccc(N(C)C)c3ccccc23)no1 ZINC001204236333 1090931804 /nfs/dbraw/zinc/93/18/04/1090931804.db2.gz UGIJNJBRPAOCPE-UHFFFAOYSA-N 1 0 324.428 3.272 20 10 DGCDRO CN(C)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC001204240688 1090932838 /nfs/dbraw/zinc/93/28/38/1090932838.db2.gz BFUAXDJYIBBWNO-QGZVFWFLSA-N 1 0 309.457 3.186 20 10 DGCDRO COc1ccc(C2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204275062 1090938212 /nfs/dbraw/zinc/93/82/12/1090938212.db2.gz NAIIBZIWGNQGFE-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)c1 ZINC001204277631 1090938343 /nfs/dbraw/zinc/93/83/43/1090938343.db2.gz HIPWGBXKEZSMQM-OAHLLOKOSA-N 1 0 313.397 3.486 20 10 DGCDRO Oc1ccc(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c(O)c1 ZINC001204274678 1090938396 /nfs/dbraw/zinc/93/83/96/1090938396.db2.gz FPJFACKLYXILRK-AWEZNQCLSA-N 1 0 321.323 3.029 20 10 DGCDRO F[C@H]1COC2(C1)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204328807 1090950193 /nfs/dbraw/zinc/95/01/93/1090950193.db2.gz OCDWECQHHIHPIM-QGZVFWFLSA-N 1 0 318.436 3.380 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CCCC23CC3)c1O ZINC001204335957 1090950347 /nfs/dbraw/zinc/95/03/47/1090950347.db2.gz DJMNORXWXTYGKB-UHFFFAOYSA-N 1 0 312.207 3.292 20 10 DGCDRO Cn1ccc(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001204328056 1090950892 /nfs/dbraw/zinc/95/08/92/1090950892.db2.gz BIBLLIJXYAAVAV-UHFFFAOYSA-N 1 0 324.472 3.400 20 10 DGCDRO COc1cc(Br)cc(C[NH+]2CC3CC(C3)C2)c1O ZINC001204341226 1090952077 /nfs/dbraw/zinc/95/20/77/1090952077.db2.gz BFHCNKVLCVFMAE-UHFFFAOYSA-N 1 0 312.207 3.005 20 10 DGCDRO COc1cc(C[N@H+](C)CC/C=C/c2cccnc2)cc(O)c1O ZINC001204348835 1090952971 /nfs/dbraw/zinc/95/29/71/1090952971.db2.gz IXDWBSALKARELM-ZZXKWVIFSA-N 1 0 314.385 3.037 20 10 DGCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C2CC2)cc1C ZINC001168710202 1090969810 /nfs/dbraw/zinc/96/98/10/1090969810.db2.gz ARRIOLHVNDGRAE-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO Oc1ccc(F)c(F)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001276472713 1090999082 /nfs/dbraw/zinc/99/90/82/1090999082.db2.gz PZEBIMIXEICSJA-OKILXGFUSA-N 1 0 322.399 3.262 20 10 DGCDRO CCCCN(CCCC)c1ccc(CN2CC[NH2+]CC2)c(O)c1 ZINC001204638036 1091010294 /nfs/dbraw/zinc/01/02/94/1091010294.db2.gz QUTRLHMVUIEPPZ-UHFFFAOYSA-N 1 0 319.493 3.204 20 10 DGCDRO CCCCN(CCCC)c1ccc(CN(C)CC[NH3+])c(O)c1 ZINC001204700279 1091019277 /nfs/dbraw/zinc/01/92/77/1091019277.db2.gz ZXPGACJORPNAJV-UHFFFAOYSA-N 1 0 307.482 3.189 20 10 DGCDRO O[C@@]1(CF)CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215500 1091117976 /nfs/dbraw/zinc/11/79/76/1091117976.db2.gz HUBBZUKAPFVBCX-LJQANCHMSA-N 1 0 320.452 3.363 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1CO ZINC001138215410 1091118045 /nfs/dbraw/zinc/11/80/45/1091118045.db2.gz DNKOZZIBWINRPD-VQIMIIECSA-N 1 0 302.462 3.270 20 10 DGCDRO O=C1CCN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1F ZINC001138215738 1091118173 /nfs/dbraw/zinc/11/81/73/1091118173.db2.gz RTXIFBVKCCRWDQ-QGZVFWFLSA-N 1 0 304.409 3.180 20 10 DGCDRO CN1CCC([N@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138213821 1091118278 /nfs/dbraw/zinc/11/82/78/1091118278.db2.gz AZCAESGANKSQMV-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC001138219698 1091118400 /nfs/dbraw/zinc/11/84/00/1091118400.db2.gz LWBILBVCBPPNMP-QUCCMNQESA-N 1 0 313.489 3.203 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O ZINC001138215521 1091118530 /nfs/dbraw/zinc/11/85/30/1091118530.db2.gz ILNLMRNRQPWFPZ-APWZRJJASA-N 1 0 302.462 3.270 20 10 DGCDRO CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138222300 1091119669 /nfs/dbraw/zinc/11/96/69/1091119669.db2.gz QVFWLKSLYOESHH-KDURUIRLSA-N 1 0 313.489 3.060 20 10 DGCDRO Cc1c(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c2ccccc2n1C ZINC001138253009 1091126843 /nfs/dbraw/zinc/12/68/43/1091126843.db2.gz ZCNXIJFWOCVCHM-LJQANCHMSA-N 1 0 300.446 3.470 20 10 DGCDRO C[N@H+](Cc1cccnc1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336002 1091145586 /nfs/dbraw/zinc/14/55/86/1091145586.db2.gz GZPAJSPNPGCTAT-UHFFFAOYSA-N 1 0 323.440 3.118 20 10 DGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356162 1091149793 /nfs/dbraw/zinc/14/97/93/1091149793.db2.gz BHRWRPCMHURURR-GOSISDBHSA-N 1 0 302.462 3.458 20 10 DGCDRO CCOCC1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138356345 1091149818 /nfs/dbraw/zinc/14/98/18/1091149818.db2.gz LOQLUPUJRZUXAH-UHFFFAOYSA-N 1 0 302.462 3.318 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@]4(CCOC4)C3)ccc21 ZINC001138355114 1091150671 /nfs/dbraw/zinc/15/06/71/1091150671.db2.gz HMEQYTRFLUHFFV-IBGZPJMESA-N 1 0 300.446 3.072 20 10 DGCDRO CCN(CC[NH+](CC)CC)Cc1ccc2c(c1)CCCN2C ZINC001138358425 1091152226 /nfs/dbraw/zinc/15/22/26/1091152226.db2.gz RAFQLEFRLUMKPY-UHFFFAOYSA-N 1 0 303.494 3.233 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001138363881 1091154400 /nfs/dbraw/zinc/15/44/00/1091154400.db2.gz ROSNIZHVPDSQCP-RDJZCZTQSA-N 1 0 317.477 3.050 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c(OC)c1 ZINC001138386483 1091161382 /nfs/dbraw/zinc/16/13/82/1091161382.db2.gz NYUDDHGUMDGXFC-JKSUJKDBSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(C)=O)C2)c(OC)c1 ZINC001138390484 1091166037 /nfs/dbraw/zinc/16/60/37/1091166037.db2.gz YQXLAMJWKGTMJR-INIZCTEOSA-N 1 0 318.461 3.342 20 10 DGCDRO C[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2O)C[C@@H]1C[NH3+] ZINC001205314550 1091179851 /nfs/dbraw/zinc/17/98/51/1091179851.db2.gz BRPWNWKAFLBRRZ-KOLCDFICSA-N 1 0 303.233 3.116 20 10 DGCDRO COc1ccc2[nH]cc(C[N@@H+]3CCc4cccc(O)c4C3)c2c1 ZINC001138509428 1091209248 /nfs/dbraw/zinc/20/92/48/1091209248.db2.gz CVCRSETZWADMGX-UHFFFAOYSA-N 1 0 308.381 3.440 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1O ZINC001205517143 1091239927 /nfs/dbraw/zinc/23/99/27/1091239927.db2.gz IAANSMCVFXWCCU-MRXNPFEDSA-N 1 0 313.397 3.193 20 10 DGCDRO C[C@H]1[C@H](C[NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001205912748 1091407380 /nfs/dbraw/zinc/40/73/80/1091407380.db2.gz BYDKIBXPMFETHV-UWVGGRQHSA-N 1 0 303.233 3.258 20 10 DGCDRO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001205916173 1091411392 /nfs/dbraw/zinc/41/13/92/1091411392.db2.gz SGYMDEUOKFJRHH-VHSXEESVSA-N 1 0 303.233 3.258 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)c(C)n1-c1ccccc1 ZINC001206164219 1091517122 /nfs/dbraw/zinc/51/71/22/1091517122.db2.gz JPTVRVOZRUVHIA-RBUKOAKNSA-N 1 0 315.436 3.355 20 10 DGCDRO N[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001206237600 1091545772 /nfs/dbraw/zinc/54/57/72/1091545772.db2.gz KCZZRPQGXVODNY-OAHLLOKOSA-N 1 0 310.319 3.011 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c1O ZINC001206236813 1091545919 /nfs/dbraw/zinc/54/59/19/1091545919.db2.gz DEUVTPIGBVJSSB-HNNXBMFYSA-N 1 0 316.367 3.155 20 10 DGCDRO CCN(CC)c1ccc(CN2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206342709 1091584522 /nfs/dbraw/zinc/58/45/22/1091584522.db2.gz ADKFZQWJLYFIEU-SFHVURJKSA-N 1 0 307.457 3.186 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H](C1CC1)[C@H]1CCCCO1)CCCO2 ZINC001202993742 1091739274 /nfs/dbraw/zinc/73/92/74/1091739274.db2.gz QAXCTXSZDAGFRF-RTBURBONSA-N 1 0 301.430 3.449 20 10 DGCDRO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc(C)cc1O ZINC001206801448 1091745893 /nfs/dbraw/zinc/74/58/93/1091745893.db2.gz WGYAGSKUDYJIPD-UHFFFAOYSA-N 1 0 300.402 3.353 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(SC)n1 ZINC001140039464 1091746465 /nfs/dbraw/zinc/74/64/65/1091746465.db2.gz YSTYBLOAGLSVKK-UHFFFAOYSA-N 1 0 316.474 3.287 20 10 DGCDRO C[C@H]1CN(Cc2cc(F)ccc2O)CC[N@@H+]1Cc1ccccc1 ZINC001140058524 1091751052 /nfs/dbraw/zinc/75/10/52/1091751052.db2.gz FKMLDASNAANUEY-HNNXBMFYSA-N 1 0 314.404 3.238 20 10 DGCDRO Cc1cccc(C)c1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060071 1091754655 /nfs/dbraw/zinc/75/46/55/1091754655.db2.gz JUJKJFNAFVABCL-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H]2CN2CCCC2)c1O ZINC001140179138 1091791729 /nfs/dbraw/zinc/79/17/29/1091791729.db2.gz HNJLVQUKLDVZOR-QGZVFWFLSA-N 1 0 302.462 3.459 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)CC(C)C)CC2)c1O ZINC001140179759 1091792315 /nfs/dbraw/zinc/79/23/15/1091792315.db2.gz OJNACPGSERZTHY-UHFFFAOYSA-N 1 0 318.461 3.136 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC001140182107 1091794073 /nfs/dbraw/zinc/79/40/73/1091794073.db2.gz JJUMAFCMJMSFAW-HNNXBMFYSA-N 1 0 305.418 3.315 20 10 DGCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(C)ccc(C)c3O)C2)nc1 ZINC001140185226 1091794838 /nfs/dbraw/zinc/79/48/38/1091794838.db2.gz SUJAIDWAWXKUTM-INIZCTEOSA-N 1 0 312.413 3.366 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C2(CC2)C1 ZINC001140288461 1091816934 /nfs/dbraw/zinc/81/69/34/1091816934.db2.gz TZYZXZJBGNIAHE-HNNXBMFYSA-N 1 0 300.446 3.022 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH+](CC2CCCC2)CC1 ZINC001140344028 1091835043 /nfs/dbraw/zinc/83/50/43/1091835043.db2.gz DXJCDNQFYRWQJA-UHFFFAOYSA-N 1 0 308.853 3.353 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001140344248 1091835271 /nfs/dbraw/zinc/83/52/71/1091835271.db2.gz GRNBQMONMBNGDG-CQSZACIVSA-N 1 0 318.804 3.484 20 10 DGCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)nc1 ZINC001140464391 1091876981 /nfs/dbraw/zinc/87/69/81/1091876981.db2.gz NURXTUWOKMFSEK-HNNXBMFYSA-N 1 0 318.804 3.402 20 10 DGCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140621589 1091934823 /nfs/dbraw/zinc/93/48/23/1091934823.db2.gz LWZKCDMTBZASDV-APWZRJJASA-N 1 0 319.445 3.108 20 10 DGCDRO COc1cc(C)c(C[NH2+]CCc2cc(F)ccc2OC)c(O)c1 ZINC001207554416 1092019210 /nfs/dbraw/zinc/01/92/10/1092019210.db2.gz VLYVWSMTWQNMMR-UHFFFAOYSA-N 1 0 319.376 3.189 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)c(O)c1 ZINC001140850087 1092028327 /nfs/dbraw/zinc/02/83/27/1092028327.db2.gz CZCRVYYMOOLNBY-AWEZNQCLSA-N 1 0 304.434 3.039 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(O)c1 ZINC001140852858 1092028794 /nfs/dbraw/zinc/02/87/94/1092028794.db2.gz BYNYLSMUPNNKGB-URLQWDBASA-N 1 0 318.461 3.238 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(O)c1 ZINC001140850715 1092029492 /nfs/dbraw/zinc/02/94/92/1092029492.db2.gz RQRMHLQKVAJUKW-LJQANCHMSA-N 1 0 318.461 3.241 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c(O)c1 ZINC001140850824 1092029885 /nfs/dbraw/zinc/02/98/85/1092029885.db2.gz VQRPUJBLHICENL-LJQANCHMSA-N 1 0 320.477 3.221 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(O)c1 ZINC001140855556 1092031623 /nfs/dbraw/zinc/03/16/23/1092031623.db2.gz FDJBMUFQOGYFGD-IBGZPJMESA-N 1 0 318.461 3.241 20 10 DGCDRO Cc1ccc(C[N@H+](C)CC(=O)NCCC2=CCCCC2)c(O)c1 ZINC001207653425 1092059861 /nfs/dbraw/zinc/05/98/61/1092059861.db2.gz ANNREXXKFIMJRE-UHFFFAOYSA-N 1 0 316.445 3.139 20 10 DGCDRO Cc1ccc(C[N@H+](Cc2cccnc2)C2CCOCC2)c(O)c1 ZINC001140949496 1092075770 /nfs/dbraw/zinc/07/57/70/1092075770.db2.gz BZRUGNNXSYGNOY-UHFFFAOYSA-N 1 0 312.413 3.277 20 10 DGCDRO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)cc1 ZINC001140950924 1092077917 /nfs/dbraw/zinc/07/79/17/1092077917.db2.gz PEZGAHHMZGMOKM-UHFFFAOYSA-N 1 0 324.424 3.225 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)c(O)c1 ZINC001140954226 1092079016 /nfs/dbraw/zinc/07/90/16/1092079016.db2.gz NNXJOHPWADMSPU-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(Oc3cccc(C)n3)CC2)c(O)c1 ZINC001140954691 1092079520 /nfs/dbraw/zinc/07/95/20/1092079520.db2.gz WGQQVHAUOIFKNR-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)OC ZINC001207748274 1092088192 /nfs/dbraw/zinc/08/81/92/1092088192.db2.gz HXYQRFFGHPFTOB-ZYSHUDEJSA-N 1 0 321.509 3.006 20 10 DGCDRO COc1cc(O)c(CN(C)Cc2cccc(F)c2F)c(OC)c1 ZINC001141030811 1092113647 /nfs/dbraw/zinc/11/36/47/1092113647.db2.gz MEHSSRKECOJQGX-UHFFFAOYSA-N 1 0 323.339 3.320 20 10 DGCDRO C[C@@]1(O)CCCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074273 1092127515 /nfs/dbraw/zinc/12/75/15/1092127515.db2.gz DOIJUAIDRCASBS-HXUWFJFHSA-N 1 0 314.473 3.122 20 10 DGCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077817 1092129065 /nfs/dbraw/zinc/12/90/65/1092129065.db2.gz AOXZTGQXOVCDNN-GOSISDBHSA-N 1 0 314.473 3.121 20 10 DGCDRO C[N@H+](Cc1ccncc1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075088 1092129934 /nfs/dbraw/zinc/12/99/34/1092129934.db2.gz YHVJGBGIARMYTA-UHFFFAOYSA-N 1 0 307.441 3.412 20 10 DGCDRO c1c(C[N@@H+]2CCC[C@@]3(CCO3)C2)cc2c3c1CCCN3CCC2 ZINC001141078360 1092131159 /nfs/dbraw/zinc/13/11/59/1092131159.db2.gz UHLPZAQXMLYDPV-HXUWFJFHSA-N 1 0 312.457 3.140 20 10 DGCDRO CC(=O)[C@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078363 1092131406 /nfs/dbraw/zinc/13/14/06/1092131406.db2.gz UJVMLLPWBFGMSP-IBGZPJMESA-N 1 0 312.457 3.186 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H]3c3cccnc3)ccc21 ZINC001141141408 1092148669 /nfs/dbraw/zinc/14/86/69/1092148669.db2.gz YDZDZWOKCSKFQT-QGZVFWFLSA-N 1 0 309.413 3.247 20 10 DGCDRO CN1CCOc2cc(C[NH+]3CCC(c4cccnc4)CC3)ccc21 ZINC001141144141 1092149965 /nfs/dbraw/zinc/14/99/65/1092149965.db2.gz AUXLEJFIZJKYQJ-UHFFFAOYSA-N 1 0 323.440 3.290 20 10 DGCDRO CN1CCOc2cc(C[N@H+](C)CCc3ccccc3F)ccc21 ZINC001141144740 1092150653 /nfs/dbraw/zinc/15/06/53/1092150653.db2.gz JUXPVQIYDGNDIV-UHFFFAOYSA-N 1 0 314.404 3.329 20 10 DGCDRO CN1CCOc2cc(CN3CCC[C@@H]3c3nccs3)ccc21 ZINC001141144010 1092150680 /nfs/dbraw/zinc/15/06/80/1092150680.db2.gz SKPXJQURMZDSAF-OAHLLOKOSA-N 1 0 315.442 3.309 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(O)ccc1O ZINC001141162527 1092157239 /nfs/dbraw/zinc/15/72/39/1092157239.db2.gz VTFWQTXQMUMGHT-UHFFFAOYSA-N 1 0 300.402 3.186 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1O ZINC001168831295 1092386006 /nfs/dbraw/zinc/38/60/06/1092386006.db2.gz UXGFYPNISQYHAB-UKRRQHHQSA-N 1 0 320.433 3.188 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001168819990 1092397416 /nfs/dbraw/zinc/39/74/16/1092397416.db2.gz XABWROMBTCSVEX-MELADBBJSA-N 1 0 320.433 3.441 20 10 DGCDRO C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CN1C(=O)OC(C)(C)C ZINC001168871127 1092405820 /nfs/dbraw/zinc/40/58/20/1092405820.db2.gz GZGNTRLWAWAXRD-ZFWWWQNUSA-N 1 0 320.433 3.222 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CCOC[C@H]1Cc1ccccc1 ZINC001142530270 1092495419 /nfs/dbraw/zinc/49/54/19/1092495419.db2.gz BJXYEMPZOJJVKY-OAHLLOKOSA-N 1 0 319.351 3.114 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1O ZINC001143112126 1092616051 /nfs/dbraw/zinc/61/60/51/1092616051.db2.gz LPSUSTJJARWUNX-LJQANCHMSA-N 1 0 317.429 3.361 20 10 DGCDRO CCCN(CC(=O)OCC)Cc1cccc(C(C)(C)C)c1O ZINC001143111551 1092616651 /nfs/dbraw/zinc/61/66/51/1092616651.db2.gz CNPMDPJEUKTMAN-UHFFFAOYSA-N 1 0 307.434 3.465 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001143116829 1092618726 /nfs/dbraw/zinc/61/87/26/1092618726.db2.gz LRCFTFFMQZNBMB-UKRRQHHQSA-N 1 0 301.430 3.491 20 10 DGCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cc2ccccc2cc1O ZINC001169448113 1092686866 /nfs/dbraw/zinc/68/68/66/1092686866.db2.gz HWYVDAVEEDEOKV-AWEZNQCLSA-N 1 0 314.429 3.282 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)CC1COC(C)(C)OC1 ZINC001209196077 1092689086 /nfs/dbraw/zinc/68/90/86/1092689086.db2.gz FZTDCPGYDRHJQB-UHFFFAOYSA-N 1 0 318.461 3.118 20 10 DGCDRO Cc1cc(N)[nH+]cc1Nc1ccccc1C(=O)c1ccncc1 ZINC001209972148 1093001584 /nfs/dbraw/zinc/00/15/84/1093001584.db2.gz GNAJBDZVJFOKEL-UHFFFAOYSA-N 1 0 304.353 3.342 20 10 DGCDRO COc1ccc(C[N@H+](C)[C@H](C)Cc2ccccc2OC)c(O)c1 ZINC000179950468 1093824455 /nfs/dbraw/zinc/82/44/55/1093824455.db2.gz KTELWYBTHRWHSV-CQSZACIVSA-N 1 0 315.413 3.472 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]CCCC(F)(F)F)C2)cc1 ZINC001120058855 1094367304 /nfs/dbraw/zinc/36/73/04/1094367304.db2.gz YCQQMESRAKKJCW-ZDUSSCGKSA-N 1 0 316.367 3.454 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCF)cc1C ZINC001135212376 1094452636 /nfs/dbraw/zinc/45/26/36/1094452636.db2.gz WIFCQPZLULORNF-HUUCEWRRSA-N 1 0 324.440 3.126 20 10 DGCDRO C[C@H]1CC[C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C[NH2+]1 ZINC001217701125 1094475339 /nfs/dbraw/zinc/47/53/39/1094475339.db2.gz BKMKLLLLMMRXHP-ZFWWWQNUSA-N 1 0 308.385 3.383 20 10 DGCDRO O=C1C=CC(=NNc2ccc(O[C@@H]3C[NH2+]CCOC3)cc2)C=C1 ZINC001218045310 1094575855 /nfs/dbraw/zinc/57/58/55/1094575855.db2.gz POEBLJBSDSJDLF-QGZVFWFLSA-N 1 0 313.357 3.175 20 10 DGCDRO FC(F)Oc1ccc(N2CCC(Nc3cc[nH+]cc3)CC2)cc1 ZINC001336396523 1094638580 /nfs/dbraw/zinc/63/85/80/1094638580.db2.gz MAUOMBLSMYQZCT-UHFFFAOYSA-N 1 0 319.355 3.186 20 10 DGCDRO O=C1C=CC(=NNc2ccc(OC[C@H]3C[NH2+]CCO3)cc2)C=C1 ZINC001218178552 1094644413 /nfs/dbraw/zinc/64/44/13/1094644413.db2.gz XWSPWYGKETYZMK-QGZVFWFLSA-N 1 0 313.357 3.175 20 10 DGCDRO Cc1cc(CNc2nccnc2C[NH3+])c(C)n1-c1cccc(C)c1 ZINC001336686005 1094696123 /nfs/dbraw/zinc/69/61/23/1094696123.db2.gz NNEYHKAQNCMWEP-UHFFFAOYSA-N 1 0 321.428 3.263 20 10 DGCDRO C[C@H]1[NH2+]C[C@H]1Oc1cc(N(C)C)ccc1/N=N/c1ccccn1 ZINC001218394932 1094746856 /nfs/dbraw/zinc/74/68/56/1094746856.db2.gz ZMYLMCFVONOVIC-XHSGNDGWSA-N 1 0 311.389 3.302 20 10 DGCDRO C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1 ZINC001336889369 1094774847 /nfs/dbraw/zinc/77/48/47/1094774847.db2.gz SQBDVQVXOBIRCF-VHDGCEQUSA-N 1 0 308.853 3.208 20 10 DGCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N(Cc2ccccc2)c2ccc(N)cc2)C1 ZINC001218956254 1094914061 /nfs/dbraw/zinc/91/40/61/1094914061.db2.gz UNZXGCRTKAZVPQ-DNVCBOLYSA-N 1 0 323.440 3.190 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC001337277688 1094919413 /nfs/dbraw/zinc/91/94/13/1094919413.db2.gz BIXSCKQLWYFWBG-UHFFFAOYSA-N 1 0 322.456 3.287 20 10 DGCDRO C[C@@H](NC(=O)[C@@H]1CCCCC12CC[NH2+]CC2)c1ccccc1O ZINC001122191098 1094921884 /nfs/dbraw/zinc/92/18/84/1094921884.db2.gz JFAKYAXYKGJFBR-ZBFHGGJFSA-N 1 0 316.445 3.129 20 10 DGCDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000697820966 1095052028 /nfs/dbraw/zinc/05/20/28/1095052028.db2.gz AIWLRTJRLQUKGS-OCCSQVGLSA-N 1 0 320.433 3.130 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(N(C)C)cc2)c1 ZINC001337784999 1095094331 /nfs/dbraw/zinc/09/43/31/1095094331.db2.gz IEPJIOACYGJJJR-CQSZACIVSA-N 1 0 314.429 3.360 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001337786144 1095095294 /nfs/dbraw/zinc/09/52/94/1095095294.db2.gz VDEVLGNCGBMLCT-SWLSCSKDSA-N 1 0 310.397 3.138 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000316305807 1095168226 /nfs/dbraw/zinc/16/82/26/1095168226.db2.gz ZXRIBOLIJITXGI-GBESFXJTSA-N 1 0 301.478 3.153 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2ccc(C)nc2Cl)cc1OC ZINC001338287245 1095251954 /nfs/dbraw/zinc/25/19/54/1095251954.db2.gz BRALQFOHWLMFPP-UHFFFAOYSA-N 1 0 322.792 3.056 20 10 DGCDRO [O-]c1c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc(F)c1F ZINC001222166704 1095471176 /nfs/dbraw/zinc/47/11/76/1095471176.db2.gz CHMPGMJWZIXOTQ-GOSISDBHSA-N 1 0 324.415 3.416 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@]23CCC[NH2+]C3)c(Cl)c1 ZINC001222249494 1095511941 /nfs/dbraw/zinc/51/19/41/1095511941.db2.gz TUDVLHBJQZMWJB-KRWDZBQOSA-N 1 0 307.869 3.124 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCC[C@]2(CC[NH2+]2)C1 ZINC001222288438 1095532131 /nfs/dbraw/zinc/53/21/31/1095532131.db2.gz YOQKSMCBHGDJKZ-AWEZNQCLSA-N 1 0 301.217 3.027 20 10 DGCDRO CCOc1ccc(N2CC[NH+](Cc3ncccc3C)CC2)cc1 ZINC001116461707 1095565760 /nfs/dbraw/zinc/56/57/60/1095565760.db2.gz YGXCORWORCVHEJ-UHFFFAOYSA-N 1 0 311.429 3.111 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)c1ccc2c[nH+]cn2c1C ZINC001116499712 1095580383 /nfs/dbraw/zinc/58/03/83/1095580383.db2.gz UTCLUPKMZVVRPU-UHFFFAOYSA-N 1 0 323.396 3.401 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@]3(CCCC[NH2+]3)C2)cc1Cl ZINC001222396593 1095593223 /nfs/dbraw/zinc/59/32/23/1095593223.db2.gz UCGRGGKECSOQRW-QGZVFWFLSA-N 1 0 308.853 3.462 20 10 DGCDRO Cc1noc(CCC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC001116569021 1095603209 /nfs/dbraw/zinc/60/32/09/1095603209.db2.gz YCLCYRLYWSUSFG-DGCLKSJQSA-N 1 0 301.390 3.163 20 10 DGCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116719507 1095642217 /nfs/dbraw/zinc/64/22/17/1095642217.db2.gz HWYDGLSPXFCNAJ-GJYPPUQNSA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C(N)=O)c1ccccc1 ZINC001339657803 1095689984 /nfs/dbraw/zinc/68/99/84/1095689984.db2.gz HLZQEYUJCOBHES-IAISJRAMSA-N 1 0 310.397 3.065 20 10 DGCDRO Oc1cc(O)c(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c(O)c1 ZINC001144504088 1095691535 /nfs/dbraw/zinc/69/15/35/1095691535.db2.gz LGOLNUIOWZPXEK-UHFFFAOYSA-N 1 0 323.392 3.364 20 10 DGCDRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116920650 1095702259 /nfs/dbraw/zinc/70/22/59/1095702259.db2.gz FTUFYAJEEXXQME-FQEVSTJZSA-N 1 0 324.468 3.370 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C[C@H](O)Cc1ccccc1 ZINC001117364206 1095764062 /nfs/dbraw/zinc/76/40/62/1095764062.db2.gz UKZKWOHVOLMPKR-UAGQMJEPSA-N 1 0 311.425 3.442 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c(C)n1-c1ccccc1 ZINC001137854003 1095766416 /nfs/dbraw/zinc/76/64/16/1095766416.db2.gz DSOFYMUBCMQTDZ-OALUTQOASA-N 1 0 316.420 3.389 20 10 DGCDRO Cc1cc(C[N@H+]2CCc3nccn3CC2)c(C)n1-c1ccccc1 ZINC001137859099 1095769061 /nfs/dbraw/zinc/76/90/61/1095769061.db2.gz IQHQCDUPGNFQOY-UHFFFAOYSA-N 1 0 320.440 3.349 20 10 DGCDRO CC(C)(C)OC(=O)CC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138129643 1095901181 /nfs/dbraw/zinc/90/11/81/1095901181.db2.gz OVHZVAKFZQTJDT-UHFFFAOYSA-N 1 0 323.408 3.475 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001118270209 1095971739 /nfs/dbraw/zinc/97/17/39/1095971739.db2.gz YISPOWWEDPYOIY-SFHVURJKSA-N 1 0 317.477 3.009 20 10 DGCDRO COc1ccc(N2CCC3(CCC[N@H+](C)C3)CC2)c(OC)c1 ZINC001276994695 1096278978 /nfs/dbraw/zinc/27/89/78/1096278978.db2.gz QQIBLOCEIBMYIJ-UHFFFAOYSA-N 1 0 304.434 3.016 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H](C)C(C)(C)C)cc1C ZINC001149008529 1096473735 /nfs/dbraw/zinc/47/37/35/1096473735.db2.gz PPROGWHXEQUSCC-HNNXBMFYSA-N 1 0 320.477 3.282 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCc2cccs2)cc1 ZINC001171729520 1096956783 /nfs/dbraw/zinc/95/67/83/1096956783.db2.gz JYXIGFHMXLADSW-UHFFFAOYSA-N 1 0 304.459 3.367 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172808212 1097245022 /nfs/dbraw/zinc/24/50/22/1097245022.db2.gz SBVIEIHFSKLTRY-ZBFHGGJFSA-N 1 0 305.418 3.336 20 10 DGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1)C1CC1 ZINC001231589817 1097785625 /nfs/dbraw/zinc/78/56/25/1097785625.db2.gz RTGMNUMOFQMQEN-MRXNPFEDSA-N 1 0 324.424 3.036 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231587822 1097785842 /nfs/dbraw/zinc/78/58/42/1097785842.db2.gz ZOCRNZXUMHHVIP-UKRRQHHQSA-N 1 0 313.397 3.319 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001231589282 1097786212 /nfs/dbraw/zinc/78/62/12/1097786212.db2.gz AINPOYJKCZXPCB-UHFFFAOYSA-N 1 0 318.367 3.071 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001231590922 1097786884 /nfs/dbraw/zinc/78/68/84/1097786884.db2.gz QCTJWUOFCLBPNZ-AWEZNQCLSA-N 1 0 318.367 3.071 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1O ZINC001231594656 1097788636 /nfs/dbraw/zinc/78/86/36/1097788636.db2.gz MPGZPYJLLLQJGP-ICSRJNTNSA-N 1 0 322.452 3.407 20 10 DGCDRO COC(=O)c1ccc(C2C[NH+](Cc3cccc(C)c3O)C2)cc1 ZINC001231594703 1097788701 /nfs/dbraw/zinc/78/87/01/1097788701.db2.gz NTBMNJOROLZICX-UHFFFAOYSA-N 1 0 311.381 3.087 20 10 DGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3c(C)cc(C)cc3O)C2)o1 ZINC001231847928 1097861535 /nfs/dbraw/zinc/86/15/35/1097861535.db2.gz FXNKFOJTDWGRKW-AWEZNQCLSA-N 1 0 301.390 3.080 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001231845570 1097861719 /nfs/dbraw/zinc/86/17/19/1097861719.db2.gz AWERDOLMJICTGB-HNNXBMFYSA-N 1 0 305.418 3.315 20 10 DGCDRO CCOC(=O)C1(C)CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231847253 1097862336 /nfs/dbraw/zinc/86/23/36/1097862336.db2.gz VSENWFMJDHTQNE-UHFFFAOYSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)c(O)c1 ZINC001231845428 1097862441 /nfs/dbraw/zinc/86/24/41/1097862441.db2.gz ZDLXWUWQIBFCJI-SFHVURJKSA-N 1 0 322.408 3.022 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2CN2CCCC2)c(O)c1 ZINC001231846025 1097862676 /nfs/dbraw/zinc/86/26/76/1097862676.db2.gz YJPKDHNKCILHPR-QGZVFWFLSA-N 1 0 302.462 3.459 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001231844251 1097862850 /nfs/dbraw/zinc/86/28/50/1097862850.db2.gz JVLGBECOBUJWKS-AWEZNQCLSA-N 1 0 320.433 3.108 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c(O)c1 ZINC001231850493 1097863073 /nfs/dbraw/zinc/86/30/73/1097863073.db2.gz QRLRGRKGLCTWFK-UHFFFAOYSA-N 1 0 318.461 3.088 20 10 DGCDRO COC(=O)c1cccc(C[N@H+](C)Cc2c(C)cc(C)cc2O)c1 ZINC001231849996 1097863213 /nfs/dbraw/zinc/86/32/13/1097863213.db2.gz YOSAKXSXSVRRPL-UHFFFAOYSA-N 1 0 313.397 3.428 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)c(O)c1 ZINC001231850136 1097864107 /nfs/dbraw/zinc/86/41/07/1097864107.db2.gz KNYFZVIEVNJEDQ-MRXNPFEDSA-N 1 0 312.413 3.366 20 10 DGCDRO CSc1ncc2c(n1)C[N@@H+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231849425 1097864279 /nfs/dbraw/zinc/86/42/79/1097864279.db2.gz QPNPIIHMUONORB-UHFFFAOYSA-N 1 0 315.442 3.079 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001231852730 1097864922 /nfs/dbraw/zinc/86/49/22/1097864922.db2.gz MEFPDOCHNISOKI-INIZCTEOSA-N 1 0 311.429 3.146 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c(O)c1 ZINC001231850890 1097865700 /nfs/dbraw/zinc/86/57/00/1097865700.db2.gz VZQSOXXDEWPNQJ-UHFFFAOYSA-N 1 0 318.461 3.136 20 10 DGCDRO CCOCC1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231855038 1097865779 /nfs/dbraw/zinc/86/57/79/1097865779.db2.gz PMVMZAJMBSFROH-UHFFFAOYSA-N 1 0 306.450 3.010 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001231854245 1097865786 /nfs/dbraw/zinc/86/57/86/1097865786.db2.gz COIYLJTZKPLSAQ-INIZCTEOSA-N 1 0 318.461 3.010 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccccc1O ZINC001231855414 1097866616 /nfs/dbraw/zinc/86/66/16/1097866616.db2.gz SBWJHSUQONKWME-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)cc1Cl ZINC001231870253 1097869716 /nfs/dbraw/zinc/86/97/16/1097869716.db2.gz PXXPIMLHUZWZGE-CYBMUJFWSA-N 1 0 313.800 3.447 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1Cl ZINC001231870746 1097871981 /nfs/dbraw/zinc/87/19/81/1097871981.db2.gz RKHHXFOIKQLTFQ-OAHLLOKOSA-N 1 0 308.853 3.414 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cc1Cl ZINC001232266094 1097986194 /nfs/dbraw/zinc/98/61/94/1097986194.db2.gz ISCSGOXMSFRYGQ-BZNIZROVSA-N 1 0 311.809 3.055 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)cc1Cl ZINC001232264003 1097986702 /nfs/dbraw/zinc/98/67/02/1097986702.db2.gz BYQFRCKYGLVDLA-MRXNPFEDSA-N 1 0 313.825 3.037 20 10 DGCDRO COC(=O)c1c(C[NH+]2CCC3(CC3)CC2)c2ccccc2n1C ZINC001232402208 1098029178 /nfs/dbraw/zinc/02/91/78/1098029178.db2.gz IWZZHOZHRXFGID-UHFFFAOYSA-N 1 0 312.413 3.341 20 10 DGCDRO COC(=O)c1c(C[N@H+](C)CC2CCC2)c2ccccc2n1C ZINC001232408181 1098030088 /nfs/dbraw/zinc/03/00/88/1098030088.db2.gz XSHAIIRTJGLNMV-UHFFFAOYSA-N 1 0 300.402 3.197 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CC3CCC2CC3)c2ccccc2n1C ZINC001232405113 1098030314 /nfs/dbraw/zinc/03/03/14/1098030314.db2.gz FVUKYTQUQJSUCV-UHFFFAOYSA-N 1 0 312.413 3.339 20 10 DGCDRO C[C@@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1ccccc1O ZINC001175419873 1098040130 /nfs/dbraw/zinc/04/01/30/1098040130.db2.gz YYBYMOYZNGQZSO-CYBMUJFWSA-N 1 0 309.369 3.336 20 10 DGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232834075 1098148252 /nfs/dbraw/zinc/14/82/52/1098148252.db2.gz GBOWGTMLYVECEQ-UHFFFAOYSA-N 1 0 312.413 3.025 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(c3ccccn3)CC2)c(O)c1 ZINC001232839273 1098148969 /nfs/dbraw/zinc/14/89/69/1098148969.db2.gz NQFRVKXNVPYMPM-UHFFFAOYSA-N 1 0 311.429 3.233 20 10 DGCDRO C[N@H+](CCc1cccc(Cl)c1)Cc1cc(O)c(O)c(O)c1 ZINC001233013742 1098204152 /nfs/dbraw/zinc/20/41/52/1098204152.db2.gz SXIIEMLINPPXNU-UHFFFAOYSA-N 1 0 307.777 3.131 20 10 DGCDRO Oc1cc(C[NH+]2CCC(c3ccc(F)cc3)CC2)cc(O)c1O ZINC001233014020 1098204541 /nfs/dbraw/zinc/20/45/41/1098204541.db2.gz WTCSIPOZSXXTBU-UHFFFAOYSA-N 1 0 317.360 3.322 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(N(C)C)nc1F ZINC001233118903 1098229441 /nfs/dbraw/zinc/22/94/41/1098229441.db2.gz UOIYUOVUATUYBJ-UHFFFAOYSA-N 1 0 303.381 3.014 20 10 DGCDRO CCC[N@H+](CC)Cc1cc(Br)c(OC)cc1O ZINC001233135206 1098235267 /nfs/dbraw/zinc/23/52/67/1098235267.db2.gz OOMHZKPVYYYGPO-UHFFFAOYSA-N 1 0 302.212 3.395 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)C(C)(C)C)cc1Br ZINC001233139875 1098236488 /nfs/dbraw/zinc/23/64/88/1098236488.db2.gz SHUBCWRTIUZLDX-UHFFFAOYSA-N 1 0 302.212 3.394 20 10 DGCDRO COC(=O)c1cc(Cl)cc(Nc2cc(C)[nH+]c(C)c2)c1O ZINC001176058357 1098252634 /nfs/dbraw/zinc/25/26/34/1098252634.db2.gz ZTIFKNUPVXSIIK-UHFFFAOYSA-N 1 0 306.749 3.010 20 10 DGCDRO CCOC(=O)c1c(C[N@H+](CC)C2CC2)c2ccccc2n1C ZINC001233270322 1098270074 /nfs/dbraw/zinc/27/00/74/1098270074.db2.gz JGCIGMPBNDVIGL-UHFFFAOYSA-N 1 0 300.402 3.339 20 10 DGCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H](C)C2)c2ccccc2n1C ZINC001233270519 1098270097 /nfs/dbraw/zinc/27/00/97/1098270097.db2.gz QGZNDTNXLDHERW-ZDUSSCGKSA-N 1 0 300.402 3.197 20 10 DGCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c2ccccc2n1C ZINC001233272962 1098270195 /nfs/dbraw/zinc/27/01/95/1098270195.db2.gz IKLJRJQFZVCMLV-DYVFJYSZSA-N 1 0 312.413 3.339 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC001233286124 1098274357 /nfs/dbraw/zinc/27/43/57/1098274357.db2.gz GOEAYACLMNECTD-MRXNPFEDSA-N 1 0 314.433 3.118 20 10 DGCDRO CC[N@H+](CCCC(=O)OC)Cc1cc(C(C)(C)C)ccc1O ZINC001233284254 1098274638 /nfs/dbraw/zinc/27/46/38/1098274638.db2.gz NSXSPIODLKTSPY-UHFFFAOYSA-N 1 0 307.434 3.465 20 10 DGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC12CC2 ZINC001233287457 1098278246 /nfs/dbraw/zinc/27/82/46/1098278246.db2.gz QJLKYLJBAWUGJI-HNNXBMFYSA-N 1 0 317.429 3.075 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCCCO3)c1O ZINC001233287808 1098278375 /nfs/dbraw/zinc/27/83/75/1098278375.db2.gz IENBAGGTZCFYGK-INIZCTEOSA-N 1 0 311.809 3.199 20 10 DGCDRO COc1ccc2c(c1)CCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233331764 1098290145 /nfs/dbraw/zinc/29/01/45/1098290145.db2.gz JYGBLYRTWALHIK-UHFFFAOYSA-N 1 0 305.324 3.237 20 10 DGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418472 1098324567 /nfs/dbraw/zinc/32/45/67/1098324567.db2.gz IKOKMYMPLCDTHN-CYBMUJFWSA-N 1 0 316.367 3.327 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC[C@]1(C)O ZINC001233452258 1098337349 /nfs/dbraw/zinc/33/73/49/1098337349.db2.gz PGAKYXIZYXYAQR-ABAIWWIYSA-N 1 0 317.351 3.394 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001233452454 1098338288 /nfs/dbraw/zinc/33/82/88/1098338288.db2.gz XGFFMWMPKLGEBZ-IUODEOHRSA-N 1 0 315.335 3.412 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC[C@]1(C)O ZINC001233452260 1098338408 /nfs/dbraw/zinc/33/84/08/1098338408.db2.gz PGAKYXIZYXYAQR-NHYWBVRUSA-N 1 0 317.351 3.394 20 10 DGCDRO C[C@@]1(CO)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452017 1098339175 /nfs/dbraw/zinc/33/91/75/1098339175.db2.gz HRKXQTLEEVDLRM-OAHLLOKOSA-N 1 0 317.351 3.396 20 10 DGCDRO Oc1cc(O)c(C[NH+]2CCC(Cc3ccccc3)CC2)cc1O ZINC001233482670 1098346059 /nfs/dbraw/zinc/34/60/59/1098346059.db2.gz XSGVARLJIQGRDK-UHFFFAOYSA-N 1 0 313.397 3.258 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)[C@H](C)C1 ZINC001233776172 1098429163 /nfs/dbraw/zinc/42/91/63/1098429163.db2.gz MCGAKZNYWLHKQB-ZYHUDNBSSA-N 1 0 319.323 3.290 20 10 DGCDRO CC(C)CCOCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001177536735 1098551349 /nfs/dbraw/zinc/55/13/49/1098551349.db2.gz DMCZHZVRWGWGJA-UHFFFAOYSA-N 1 0 300.393 3.183 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccc(OC)c(F)c2)cc1C ZINC001177656845 1098581643 /nfs/dbraw/zinc/58/16/43/1098581643.db2.gz MRYHVKSTSYXQDH-UHFFFAOYSA-N 1 0 303.377 3.484 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC[C@H]3C(C)C)c2c1 ZINC001234561869 1098600733 /nfs/dbraw/zinc/60/07/33/1098600733.db2.gz DQQVFXNUUHPXPH-SFHVURJKSA-N 1 0 315.413 3.411 20 10 DGCDRO COc1ccc2ccc(O)c(CN3CCc4oc(C)nc4C3)c2c1 ZINC001234577147 1098607056 /nfs/dbraw/zinc/60/70/56/1098607056.db2.gz ALFGANHXXPLPAF-UHFFFAOYSA-N 1 0 324.380 3.409 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001177871635 1098624852 /nfs/dbraw/zinc/62/48/52/1098624852.db2.gz ZDDMZHAFJNDURT-QGZVFWFLSA-N 1 0 324.424 3.319 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)Cc3ccco3)cc2)CC1 ZINC001234662033 1098636893 /nfs/dbraw/zinc/63/68/93/1098636893.db2.gz YLENXPKIKSVJGQ-INIZCTEOSA-N 1 0 314.429 3.432 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC001178108454 1098705533 /nfs/dbraw/zinc/70/55/33/1098705533.db2.gz ALIAXCBOODBVTE-HNAYVOBHSA-N 1 0 301.478 3.105 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[NH2+]CC23CC3)cc1Cl ZINC001234978834 1098732479 /nfs/dbraw/zinc/73/24/79/1098732479.db2.gz LRGHQXDDROCRML-UHFFFAOYSA-N 1 0 308.853 3.281 20 10 DGCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993499 1098738406 /nfs/dbraw/zinc/73/84/06/1098738406.db2.gz DEEQAVDWXFIIFM-GOSISDBHSA-N 1 0 324.424 3.160 20 10 DGCDRO Cn1cnc2c1C[N@H+](Cc1cccc(-c3ccccc3)c1O)CC2 ZINC001234998678 1098741800 /nfs/dbraw/zinc/74/18/00/1098741800.db2.gz MMARNANAYAKMFX-UHFFFAOYSA-N 1 0 319.408 3.351 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc21 ZINC001235017816 1098752525 /nfs/dbraw/zinc/75/25/25/1098752525.db2.gz PKWQOBSPQLETGN-HNAYVOBHSA-N 1 0 309.457 3.090 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc(N(C)C)n1 ZINC001178231338 1098765822 /nfs/dbraw/zinc/76/58/22/1098765822.db2.gz BBCQRDDCHHRTLC-UHFFFAOYSA-N 1 0 308.429 3.238 20 10 DGCDRO CN(C)c1ccc(CN2CCCCC23C[NH2+]C3)c2ccccc21 ZINC001235102127 1098801273 /nfs/dbraw/zinc/80/12/73/1098801273.db2.gz ICAYTPGRASUVSQ-UHFFFAOYSA-N 1 0 309.457 3.234 20 10 DGCDRO Cc1cc(CN2CCCCC23C[NH2+]C3)c(C)n1-c1ccccc1 ZINC001235104603 1098805524 /nfs/dbraw/zinc/80/55/24/1098805524.db2.gz UBDHSAMYUOKFTK-UHFFFAOYSA-N 1 0 309.457 3.422 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1 ZINC001235105816 1098805923 /nfs/dbraw/zinc/80/59/23/1098805923.db2.gz HAWFXQZBQHNEHC-UHFFFAOYSA-N 1 0 309.457 3.422 20 10 DGCDRO CN(C)c1ccc(CN2CCCC[C@]23CC[NH2+]C3)c(Cl)c1 ZINC001235121699 1098820112 /nfs/dbraw/zinc/82/01/12/1098820112.db2.gz RIUDDFGFESVXTH-QGZVFWFLSA-N 1 0 307.869 3.124 20 10 DGCDRO CCc1ccc(C[N@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)c(O)c1 ZINC001235223004 1098895408 /nfs/dbraw/zinc/89/54/08/1098895408.db2.gz SSEOWOCNXQDURS-RBUKOAKNSA-N 1 0 308.425 3.026 20 10 DGCDRO [O-]c1cc(F)cc(F)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235226760 1098900214 /nfs/dbraw/zinc/90/02/14/1098900214.db2.gz FGRYNABBOBKFCJ-MRXNPFEDSA-N 1 0 310.388 3.025 20 10 DGCDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001235248378 1098921005 /nfs/dbraw/zinc/92/10/05/1098921005.db2.gz RZUVCMGFAAXQHG-YMTOWFKASA-N 1 0 301.217 3.012 20 10 DGCDRO CC(C)[C@@H]1CN(Cc2cccc(-c3ccccc3)c2O)CC[NH2+]1 ZINC001235475169 1099058713 /nfs/dbraw/zinc/05/87/13/1099058713.db2.gz NTFVGCVWIPTUQX-IBGZPJMESA-N 1 0 310.441 3.489 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)[C@@H]1C ZINC001235679562 1099122347 /nfs/dbraw/zinc/12/23/47/1099122347.db2.gz POOYWJJWXYPLHL-CJNGLKHVSA-N 1 0 319.445 3.463 20 10 DGCDRO CC(C)(C)c1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)c(O)c1 ZINC001235679586 1099122954 /nfs/dbraw/zinc/12/29/54/1099122954.db2.gz PWENBPGZXXVDRY-UHFFFAOYSA-N 1 0 320.452 3.308 20 10 DGCDRO CC(C)(C)c1ccc(CN2CC[NH+](CC3CC3)CC2)c(O)c1 ZINC001235685418 1099126630 /nfs/dbraw/zinc/12/66/30/1099126630.db2.gz QAFCFSAZUYGCTM-UHFFFAOYSA-N 1 0 302.462 3.217 20 10 DGCDRO CC[C@H]1C[NH2+]CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001235771122 1099173814 /nfs/dbraw/zinc/17/38/14/1099173814.db2.gz FZHOIBIPYUZKNA-SFHVURJKSA-N 1 0 314.404 3.382 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001179768845 1099189037 /nfs/dbraw/zinc/18/90/37/1099189037.db2.gz YKKWFLIDDSFCQF-YLJYHZDGSA-N 1 0 306.409 3.235 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235850079 1099211355 /nfs/dbraw/zinc/21/13/55/1099211355.db2.gz QRILLPZUBOGREX-HNNXBMFYSA-N 1 0 316.832 3.062 20 10 DGCDRO c1ccc([C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CCN2)cc1 ZINC001235861250 1099223775 /nfs/dbraw/zinc/22/37/75/1099223775.db2.gz ZBHNORITNXPMKE-NRFANRHFSA-N 1 0 321.468 3.433 20 10 DGCDRO CC[N@H+](Cc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001235948586 1099280218 /nfs/dbraw/zinc/28/02/18/1099280218.db2.gz QLBCPLDUIRYSGB-HXUWFJFHSA-N 1 0 309.457 3.365 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)CCN(C)c2ccccc2)c(O)c1 ZINC001180262078 1099362610 /nfs/dbraw/zinc/36/26/10/1099362610.db2.gz IKVCXTGHSDNFIJ-UHFFFAOYSA-N 1 0 314.429 3.277 20 10 DGCDRO Cc1ccc(C)c(CN2CC[NH2+]C[C@@H]2c2ccc(F)cc2)c1O ZINC001236124773 1099413227 /nfs/dbraw/zinc/41/32/27/1099413227.db2.gz ISMAMEHEZJKCAQ-GOSISDBHSA-N 1 0 314.404 3.295 20 10 DGCDRO CCN(CC[NH2+]C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236146303 1099431360 /nfs/dbraw/zinc/43/13/60/1099431360.db2.gz YNHMSDPIYUJCDI-UHFFFAOYSA-N 1 0 302.393 3.240 20 10 DGCDRO CCN(CC)c1ccc(CN(C)[C@@]2(C)CCC[NH2+]C2)c(OC)c1 ZINC001236206383 1099462107 /nfs/dbraw/zinc/46/21/07/1099462107.db2.gz KHSCWODLQBFONP-IBGZPJMESA-N 1 0 319.493 3.115 20 10 DGCDRO C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214083 1099469719 /nfs/dbraw/zinc/46/97/19/1099469719.db2.gz DXIFZAYVWGMKOW-STQMWFEESA-N 1 0 302.340 3.113 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1 ZINC001180635190 1099480386 /nfs/dbraw/zinc/48/03/86/1099480386.db2.gz WYGXQDZWSGYCQM-DLBZAZTESA-N 1 0 307.434 3.391 20 10 DGCDRO CCOC(=O)CC(C)(C)CN1CCCc2cc(OC)ccc21 ZINC001180716540 1099488939 /nfs/dbraw/zinc/48/89/39/1099488939.db2.gz UMALJCGBEUWGOV-UHFFFAOYSA-N 1 0 305.418 3.427 20 10 DGCDRO CN(C)c1ccc(CN(C2CC2)[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001236241590 1099495048 /nfs/dbraw/zinc/49/50/48/1099495048.db2.gz TUZAZMDCJATHLV-INIZCTEOSA-N 1 0 307.869 3.122 20 10 DGCDRO Oc1ccc(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)c(O)c1 ZINC001204279115 1099499584 /nfs/dbraw/zinc/49/95/84/1099499584.db2.gz RAHGYUAXHXIZCR-INIZCTEOSA-N 1 0 316.426 3.250 20 10 DGCDRO CCCN(Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CC[NH2+]C1 ZINC001236324432 1099539069 /nfs/dbraw/zinc/53/90/69/1099539069.db2.gz PUFALJZNXKIQLT-OAHLLOKOSA-N 1 0 314.429 3.128 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC001203664608 1099560649 /nfs/dbraw/zinc/56/06/49/1099560649.db2.gz MWXKIYDJQACALC-UHFFFAOYSA-N 1 0 321.808 3.371 20 10 DGCDRO [O-]c1ccc(F)c(F)c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375358 1099563039 /nfs/dbraw/zinc/56/30/39/1099563039.db2.gz KPEIDLXGRHEMFU-ZDUSSCGKSA-N 1 0 324.415 3.415 20 10 DGCDRO COc1cc(O)c(CN(C(C)C)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001236470235 1099630310 /nfs/dbraw/zinc/63/03/10/1099630310.db2.gz CXCNJRMVQLDTSI-GFCCVEGCSA-N 1 0 312.841 3.017 20 10 DGCDRO CC(C)C[N@H+](Cc1cc(F)cc(Cl)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236479097 1099636918 /nfs/dbraw/zinc/63/69/18/1099636918.db2.gz PJLJVVPIYJQWMR-CQSZACIVSA-N 1 0 314.832 3.395 20 10 DGCDRO [NH3+]CCN(Cc1ccccc1)Cc1c(O)ccc(F)c1Cl ZINC001236528925 1099663240 /nfs/dbraw/zinc/66/32/40/1099663240.db2.gz UPJLOWARQXXBDP-UHFFFAOYSA-N 1 0 308.784 3.146 20 10 DGCDRO C[C@]1(CF)CC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236768009 1099776114 /nfs/dbraw/zinc/77/61/14/1099776114.db2.gz OWJTZTLEJPADJN-CYBMUJFWSA-N 1 0 318.186 3.042 20 10 DGCDRO Oc1cc(C[N@@H+]2CCC[C@H](F)CC2)c(O)cc1Br ZINC001236768654 1099777020 /nfs/dbraw/zinc/77/70/20/1099777020.db2.gz RGYHMOUFHMABCH-JTQLQIEISA-N 1 0 318.186 3.184 20 10 DGCDRO CC[C@H]1CCC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236774737 1099778653 /nfs/dbraw/zinc/77/86/53/1099778653.db2.gz HPZQAHJTLKECDZ-JTQLQIEISA-N 1 0 300.196 3.235 20 10 DGCDRO CCC(=O)N(CC)C1CC[NH+](Cc2ccc(CC)cc2O)CC1 ZINC001236787207 1099785766 /nfs/dbraw/zinc/78/57/66/1099785766.db2.gz HIOVCGHOGIIPKW-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO C[N@H+](Cc1cc(OCc2ccccc2)ccc1O)C1(C)COC1 ZINC001236788613 1099785885 /nfs/dbraw/zinc/78/58/85/1099785885.db2.gz JTCVGEADZNRXLX-UHFFFAOYSA-N 1 0 313.397 3.192 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3ccc(CC)cc3O)CC2)no1 ZINC001236791060 1099786773 /nfs/dbraw/zinc/78/67/73/1099786773.db2.gz FATXFPKVJWPOSP-UHFFFAOYSA-N 1 0 315.417 3.280 20 10 DGCDRO CCc1nnc(C2CC[NH+](Cc3ccc(CC)cc3O)CC2)o1 ZINC001236793508 1099787174 /nfs/dbraw/zinc/78/71/74/1099787174.db2.gz XGRMDYNEJIYEBZ-UHFFFAOYSA-N 1 0 315.417 3.280 20 10 DGCDRO C[NH+](C)CC1CC[NH+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236797640 1099789675 /nfs/dbraw/zinc/78/96/75/1099789675.db2.gz ZTSLQFWXWIEEII-UHFFFAOYSA-N 1 0 317.260 3.473 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(Cl)c1 ZINC001236802028 1099795593 /nfs/dbraw/zinc/79/55/93/1099795593.db2.gz GKPWDCIHGUKQSM-ZDUSSCGKSA-N 1 0 303.736 3.285 20 10 DGCDRO COc1cc(O)c(CN2CCc3nc(C)sc3C2)c(Cl)c1 ZINC001236802894 1099797162 /nfs/dbraw/zinc/79/71/62/1099797162.db2.gz LCOVTQMJAYEYQG-UHFFFAOYSA-N 1 0 324.833 3.377 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(O)c1 ZINC001236812942 1099801873 /nfs/dbraw/zinc/80/18/73/1099801873.db2.gz HTCJICOULZUKJG-UHFFFAOYSA-N 1 0 320.477 3.261 20 10 DGCDRO COc1cc(C)c(CN2CCCC[C@H]2C[NH+]2CCCC2)c(O)c1 ZINC001236812368 1099801973 /nfs/dbraw/zinc/80/19/73/1099801973.db2.gz DAAPMNVGGZZIGT-INIZCTEOSA-N 1 0 318.461 3.160 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c([O-])c1Cl ZINC001236812583 1099802988 /nfs/dbraw/zinc/80/29/88/1099802988.db2.gz ZOMAMBGPIHWOLV-SECBINFHSA-N 1 0 309.715 3.438 20 10 DGCDRO Oc1cc2ccccc2cc1C[NH+]1CC(N2CCC(F)CC2)C1 ZINC001236830569 1099814541 /nfs/dbraw/zinc/81/45/41/1099814541.db2.gz BQHDFCVDGZPJJZ-UHFFFAOYSA-N 1 0 314.404 3.164 20 10 DGCDRO CCCN(Cc1ccc(N(C)C)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236836457 1099824446 /nfs/dbraw/zinc/82/44/46/1099824446.db2.gz VOLOTTGIKPNBRZ-CQSZACIVSA-N 1 0 309.885 3.228 20 10 DGCDRO Cc1c(CN2Cc3ccccc3C[C@H]2C[NH3+])c2ccccc2n1C ZINC001237020650 1099932316 /nfs/dbraw/zinc/93/23/16/1099932316.db2.gz UUYVWWMKUXOQIB-SFHVURJKSA-N 1 0 319.452 3.372 20 10 DGCDRO COCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C(C)C ZINC001237055663 1099946862 /nfs/dbraw/zinc/94/68/62/1099946862.db2.gz IBEWQJPEIJIUNI-UHFFFAOYSA-N 1 0 321.339 3.190 20 10 DGCDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237054473 1099947470 /nfs/dbraw/zinc/94/74/70/1099947470.db2.gz ZFAPAASIRXWTAW-QGZVFWFLSA-N 1 0 318.461 3.396 20 10 DGCDRO CCOC(=O)C1(F)CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237054287 1099947756 /nfs/dbraw/zinc/94/77/56/1099947756.db2.gz UUDKAQYQNMVPRA-UHFFFAOYSA-N 1 0 323.408 3.383 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]1CF ZINC001237063559 1099952450 /nfs/dbraw/zinc/95/24/50/1099952450.db2.gz UCUGLLALWZJPHT-LLVKDONJSA-N 1 0 307.287 3.267 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(F)CC2)c(Br)c1 ZINC001237064249 1099953137 /nfs/dbraw/zinc/95/31/37/1099953137.db2.gz YPFJAQMKGZWBSM-UHFFFAOYSA-N 1 0 318.186 3.097 20 10 DGCDRO C[C@]1(C[NH3+])CCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001237083218 1099961863 /nfs/dbraw/zinc/96/18/63/1099961863.db2.gz XPLAJQZDROACPE-CQSZACIVSA-N 1 0 303.233 3.260 20 10 DGCDRO C[N@@H+]1CC[C@@]2(CCN(Cc3c(O)ccc(Cl)c3Cl)C2)C1 ZINC001237085417 1099964921 /nfs/dbraw/zinc/96/49/21/1099964921.db2.gz ZKBLKGAKQZDEPC-OAHLLOKOSA-N 1 0 315.244 3.227 20 10 DGCDRO CC(C)[C@H]1CN(Cc2c(O)cccc2OC(F)(F)F)CCO1 ZINC001237114863 1099976632 /nfs/dbraw/zinc/97/66/32/1099976632.db2.gz NOYURSVNSUEVEF-CQSZACIVSA-N 1 0 319.323 3.148 20 10 DGCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237113694 1099978192 /nfs/dbraw/zinc/97/81/92/1099978192.db2.gz BYTVCSUOFPGFKD-ZDUSSCGKSA-N 1 0 319.323 3.026 20 10 DGCDRO C[C@@]1(O)CCCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237120247 1099982200 /nfs/dbraw/zinc/98/22/00/1099982200.db2.gz OSEFMINLJFQJGC-CQSZACIVSA-N 1 0 319.323 3.028 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)[C@H](C)C1 ZINC001237126449 1099983798 /nfs/dbraw/zinc/98/37/98/1099983798.db2.gz YFSITRYJOCMLNV-GHMZBOCLSA-N 1 0 319.323 3.290 20 10 DGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001237131029 1099987000 /nfs/dbraw/zinc/98/70/00/1099987000.db2.gz SKDITILZKRMWJK-NSHDSACASA-N 1 0 322.767 3.233 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001237138959 1099989047 /nfs/dbraw/zinc/98/90/47/1099989047.db2.gz AUAIFDSSJXEUJF-CQSZACIVSA-N 1 0 301.308 3.166 20 10 DGCDRO COc1cc(O)c(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001237155679 1100005090 /nfs/dbraw/zinc/00/50/90/1100005090.db2.gz KIYMXHCOUZTZMX-CQSZACIVSA-N 1 0 324.852 3.161 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCNC3=CCCC[C@@H]32)c(O)c1 ZINC001237224248 1100038654 /nfs/dbraw/zinc/03/86/54/1100038654.db2.gz CCGPLATWFSMZRE-SFHVURJKSA-N 1 0 315.461 3.080 20 10 DGCDRO Oc1c(CN2CC[NH2+]C3=CCCC[C@H]32)cccc1C(F)(F)F ZINC001237228232 1100040430 /nfs/dbraw/zinc/04/04/30/1100040430.db2.gz INTBTKYQOOOODR-CQSZACIVSA-N 1 0 312.335 3.253 20 10 DGCDRO CN(C)c1ccc(CN2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237305196 1100070425 /nfs/dbraw/zinc/07/04/25/1100070425.db2.gz TVMJGBROIPOUKF-UHFFFAOYSA-N 1 0 321.468 3.347 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(CCc2ccccc2)CC1 ZINC001237490361 1100141334 /nfs/dbraw/zinc/14/13/34/1100141334.db2.gz TWKUJKUANHYNQX-UHFFFAOYSA-N 1 0 310.441 3.061 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(Oc2ncccc2C)CC1 ZINC001237490806 1100143828 /nfs/dbraw/zinc/14/38/28/1100143828.db2.gz BLIOFGOFFAGDED-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c(C)cccc3O)C2)n1 ZINC001237494194 1100145513 /nfs/dbraw/zinc/14/55/13/1100145513.db2.gz 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c1ccc(CN2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)cc1 ZINC001199013626 1102050632 /nfs/dbraw/zinc/05/06/32/1102050632.db2.gz NRCGMLSEFHBDKV-HXUWFJFHSA-N 1 0 322.452 3.376 20 10 DGCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931048 1102091192 /nfs/dbraw/zinc/09/11/92/1102091192.db2.gz MMTNGRCTJWHMRL-UHFFFAOYSA-N 1 0 324.424 3.098 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)cc1 ZINC001203935822 1102145387 /nfs/dbraw/zinc/14/53/87/1102145387.db2.gz FBJVCYVMDBFXQF-KRWDZBQOSA-N 1 0 318.461 3.449 20 10 DGCDRO CC[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001199821859 1102225324 /nfs/dbraw/zinc/22/53/24/1102225324.db2.gz BAKMXZTZHBJILG-AEFFLSMTSA-N 1 0 302.462 3.364 20 10 DGCDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325620439 1103085880 /nfs/dbraw/zinc/08/58/80/1103085880.db2.gz YAWFIGRMACCECG-OAHLLOKOSA-N 1 0 319.468 3.246 20 10 DGCDRO CO[C@@H](C)C[N@H+](Cc1ccc(Br)cc1O)C(C)C ZINC000688105046 1103201954 /nfs/dbraw/zinc/20/19/54/1103201954.db2.gz KASOIAMVYOGRPT-NSHDSACASA-N 1 0 316.239 3.400 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCC[C@@H](F)C2)ccc1N1CCOCC1 ZINC001326190346 1103227711 /nfs/dbraw/zinc/22/77/11/1103227711.db2.gz WVXLBQUFAQZJNR-CABCVRRESA-N 1 0 310.388 3.033 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2nc(C(C)C)no2)c(O)c1 ZINC001326282594 1103255925 /nfs/dbraw/zinc/25/59/25/1103255925.db2.gz GRXZEBKKVJHDAX-CYBMUJFWSA-N 1 0 303.406 3.409 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CCC1 ZINC001326305217 1103263960 /nfs/dbraw/zinc/26/39/60/1103263960.db2.gz JNNNJXDCTGQALG-ZIAGYGMSSA-N 1 0 316.445 3.145 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])C2CCCCC2)cc1 ZINC001326371975 1103293377 /nfs/dbraw/zinc/29/33/77/1103293377.db2.gz UQJYTLHIEJJDNP-SFHVURJKSA-N 1 0 317.477 3.057 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001326500857 1103345036 /nfs/dbraw/zinc/34/50/36/1103345036.db2.gz JPLSQFZOZPHCPS-MGPQQGTHSA-N 1 0 316.445 3.238 20 10 DGCDRO CC(C)[C@@]1(CO)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001326636961 1103392774 /nfs/dbraw/zinc/39/27/74/1103392774.db2.gz LCCUILCKNQPZJW-VOFKWLDRSA-N 1 0 302.462 3.106 20 10 DGCDRO CCn1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)c1=O ZINC001326722212 1103418576 /nfs/dbraw/zinc/41/85/76/1103418576.db2.gz WMIOJSBRFGEBGV-UKRRQHHQSA-N 1 0 312.413 3.220 20 10 DGCDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001327091272 1103515802 /nfs/dbraw/zinc/51/58/02/1103515802.db2.gz ZTFLLZMVLQFMAX-UHFFFAOYSA-N 1 0 318.461 3.498 20 10 DGCDRO Cc1cc(O)c(CN2CC3(C2)C[NH+](C2CCCC2)C3)cc1Cl ZINC001276372522 1103689075 /nfs/dbraw/zinc/68/90/75/1103689075.db2.gz WMDLWHPWYZOLLI-UHFFFAOYSA-N 1 0 320.864 3.414 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C ZINC001327681364 1103704845 /nfs/dbraw/zinc/70/48/45/1103704845.db2.gz YYCFWRKVEMDNKQ-OAHLLOKOSA-N 1 0 318.461 3.354 20 10 DGCDRO O[C@@H]1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001327951724 1103777384 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CCCC[C@@H](O)CNc1ccccc1OCC1CC[NH2+]CC1 ZINC001245970410 1104343457 /nfs/dbraw/zinc/34/34/57/1104343457.db2.gz HJKQSOVRADTKIC-MRXNPFEDSA-N 1 0 306.450 3.028 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)cc1C ZINC001246345512 1104501259 /nfs/dbraw/zinc/50/12/59/1104501259.db2.gz IQFKAPNPBBZPOB-VQTJNVASSA-N 1 0 324.468 3.457 20 10 DGCDRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001330432733 1104549523 /nfs/dbraw/zinc/54/95/23/1104549523.db2.gz RMMSEZCTHAZZBC-MRXNPFEDSA-N 1 0 324.424 3.036 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC001330803144 1104650420 /nfs/dbraw/zinc/65/04/20/1104650420.db2.gz AIFOFGGOHBATBE-LJQANCHMSA-N 1 0 319.445 3.045 20 10 DGCDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)c(C(C)(C)C)cc3O)C[C@H]21 ZINC001248883954 1105186672 /nfs/dbraw/zinc/18/66/72/1105186672.db2.gz UDXKGXJGTBSKCN-BLLLJJGKSA-N 1 0 322.880 3.479 20 10 DGCDRO CN1CCC([N@H+](C)Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249224384 1105249674 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CC[C@@H](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001491441022 1105827970 /nfs/dbraw/zinc/82/79/70/1105827970.db2.gz IFSLILXCLHYHBC-HIFRSBDPSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2CC(C)(C)C2)cc1C ZINC001491445483 1105828076 /nfs/dbraw/zinc/82/80/76/1105828076.db2.gz WDKNHFGHFDXELC-CQSZACIVSA-N 1 0 318.461 3.034 20 10 DGCDRO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cc2c(cc1O)CCCC2 ZINC001253981887 1106006474 /nfs/dbraw/zinc/00/64/74/1106006474.db2.gz UJOMVVDBPGLXRD-UHFFFAOYSA-N 1 0 324.424 3.002 20 10 DGCDRO CO[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C)C(F)(F)F ZINC001254729759 1106136639 /nfs/dbraw/zinc/13/66/39/1106136639.db2.gz LYSIGILZGIIIJR-HOSYDEDBSA-N 1 0 303.324 3.416 20 10 DGCDRO CO[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C)C(F)(F)F ZINC001254729763 1106136669 /nfs/dbraw/zinc/13/66/69/1106136669.db2.gz LYSIGILZGIIIJR-JFGNBEQYSA-N 1 0 303.324 3.416 20 10 DGCDRO COc1ccc(N2CC[NH+](C3Cc4ccccc4C3)CC2)c(C)c1 ZINC001255026360 1106168598 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CCOC(=O)CC1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001258037577 1106662987 /nfs/dbraw/zinc/66/29/87/1106662987.db2.gz SRYQTDYEDAIIOI-UHFFFAOYSA-N 1 0 317.429 3.262 20 10 DGCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001258390076 1106726951 /nfs/dbraw/zinc/72/69/51/1106726951.db2.gz GZGFAIVCNBIUPN-ZDUSSCGKSA-N 1 0 301.386 3.217 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H](C)CC3CC3)CC2)c(OC)c1 ZINC001258469611 1106766096 /nfs/dbraw/zinc/76/60/96/1106766096.db2.gz GCZHGJLPZVPUPT-AWEZNQCLSA-N 1 0 304.434 3.014 20 10 DGCDRO COC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001320253307 1106938164 /nfs/dbraw/zinc/93/81/64/1106938164.db2.gz TWKODAHELHLFIB-ZIAGYGMSSA-N 1 0 305.418 3.034 20 10 DGCDRO CNC(=O)C1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001320249377 1106938196 /nfs/dbraw/zinc/93/81/96/1106938196.db2.gz YJCUZDKUWFVNMD-URGYJCLVSA-N 1 0 316.445 3.143 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC(C)C)cc1C ZINC001320333220 1106967277 /nfs/dbraw/zinc/96/72/77/1106967277.db2.gz OQQAQNBKTHWKSX-OAHLLOKOSA-N 1 0 306.450 3.034 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C ZINC001320509419 1107034510 /nfs/dbraw/zinc/03/45/10/1107034510.db2.gz PYQQJFKMXYRFOY-HZPDHXFCSA-N 1 0 319.468 3.055 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001320607890 1107069741 /nfs/dbraw/zinc/06/97/41/1107069741.db2.gz MGDUJAYHLZPFKZ-HXUWFJFHSA-N 1 0 324.468 3.288 20 10 DGCDRO CC/C(C)=C\C(=O)N(CC)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001320724699 1107118248 /nfs/dbraw/zinc/11/82/48/1107118248.db2.gz NWRCTNMXSHIAQA-QINSGFPZSA-N 1 0 318.461 3.298 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)OC)cc1F ZINC001320835709 1107156284 /nfs/dbraw/zinc/15/62/84/1107156284.db2.gz AWVIFZWBQTYKFZ-ZBFHGGJFSA-N 1 0 322.424 3.103 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN(C)CC(F)(F)F ZINC001321022754 1107224013 /nfs/dbraw/zinc/22/40/13/1107224013.db2.gz ICOYIDNJZZXWDJ-NEPJUHHUSA-N 1 0 316.367 3.333 20 10 DGCDRO Cn1cc(-c2ccc(C[N@H+](C)Cc3ccccc3O)cc2)cn1 ZINC001321028415 1107227720 /nfs/dbraw/zinc/22/77/20/1107227720.db2.gz CPLSTMYYACQNLL-UHFFFAOYSA-N 1 0 307.397 3.425 20 10 DGCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001321386462 1107337712 /nfs/dbraw/zinc/33/77/12/1107337712.db2.gz DYJWLKSEKAMYDH-MAUKXSAKSA-N 1 0 317.477 3.194 20 10 DGCDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001261256841 1107378213 /nfs/dbraw/zinc/37/82/13/1107378213.db2.gz WCVNDJIECUJMKN-LJQANCHMSA-N 1 0 301.478 3.201 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2CCCCC2)cc1C ZINC001321779125 1107431827 /nfs/dbraw/zinc/43/18/27/1107431827.db2.gz LRFNLTVWVABBDA-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCN(C)c1ccc(CN2CCC([NH+](CC)CC)CC2)cc1 ZINC001322106586 1107514308 /nfs/dbraw/zinc/51/43/08/1107514308.db2.gz HDJBESIUELOZDY-UHFFFAOYSA-N 1 0 303.494 3.449 20 10 DGCDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001319713253 1108606404 /nfs/dbraw/zinc/60/64/04/1108606404.db2.gz VLSSJPSWGVDVJA-IRXDYDNUSA-N 1 0 301.478 3.201 20 10 DGCDRO CCC1(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001265810761 1109009976 /nfs/dbraw/zinc/00/99/76/1109009976.db2.gz FRPZCAFKNJKNGU-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2=CCCC2)cc1C ZINC001282114640 1109452480 /nfs/dbraw/zinc/45/24/80/1109452480.db2.gz UNPMZNCXYKYJFS-GJZGRUSLSA-N 1 0 316.445 3.097 20 10 DGCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001304090076 1111165869 /nfs/dbraw/zinc/16/58/69/1111165869.db2.gz XILKWSJLWZRTEL-KBPBESRZSA-N 1 0 312.413 3.034 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2scnc2C)c1 ZINC001307628068 1111320972 /nfs/dbraw/zinc/32/09/72/1111320972.db2.gz FZHDGBQBNWZCHS-LLVKDONJSA-N 1 0 306.431 3.449 20 10 DGCDRO C[C@H]1CCCN(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001308200137 1111396391 /nfs/dbraw/zinc/39/63/91/1111396391.db2.gz UZPRZFVOCYFIKE-IMXKFXGHSA-N 1 0 301.478 3.087 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)c2cccc(F)c2)cc1 ZINC001308263309 1111407731 /nfs/dbraw/zinc/40/77/31/1111407731.db2.gz OLVSWUAHGCUNFR-IBGZPJMESA-N 1 0 316.420 3.495 20 10 DGCDRO COc1ccc(CN[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1C ZINC001308292017 1111412208 /nfs/dbraw/zinc/41/22/08/1111412208.db2.gz CMHQULAZJSIISZ-GOSISDBHSA-N 1 0 302.462 3.358 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC001308434697 1111428749 /nfs/dbraw/zinc/42/87/49/1111428749.db2.gz UDZMBOATZNLPOJ-CJNGLKHVSA-N 1 0 308.372 3.125 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC001308440490 1111429479 /nfs/dbraw/zinc/42/94/79/1111429479.db2.gz WBWAZPHIGAGVCO-CYBMUJFWSA-N 1 0 320.868 3.169 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1Cc2ccccc2NC1=O ZINC001308489079 1111434223 /nfs/dbraw/zinc/43/42/23/1111434223.db2.gz VFYALNMVZLLKFF-KRWDZBQOSA-N 1 0 319.408 3.140 20 10 DGCDRO COc1ccc(C[C@H]2CC[N@@H+]2Cc2ccc(F)c(F)c2[O-])cc1 ZINC001308603439 1111450033 /nfs/dbraw/zinc/45/00/33/1111450033.db2.gz KWHBFIBHUYMQMR-CQSZACIVSA-N 1 0 319.351 3.496 20 10 DGCDRO C[C@H]1SCC[N@H+](Cc2c(O)cccc2Br)[C@H]1C ZINC001308620682 1111452042 /nfs/dbraw/zinc/45/20/42/1111452042.db2.gz VANLVSXQQQWSCS-VHSXEESVSA-N 1 0 316.264 3.481 20 10 DGCDRO CC[NH+](CC)[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308660930 1111457367 /nfs/dbraw/zinc/45/73/67/1111457367.db2.gz UZNNWSPLCALWGZ-UCFODXPJSA-N 1 0 301.478 3.182 20 10 DGCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1)C(N)=O ZINC001308773977 1111473490 /nfs/dbraw/zinc/47/34/90/1111473490.db2.gz QGDDFKDUYBYDRK-GFCCVEGCSA-N 1 0 324.852 3.159 20 10 DGCDRO COC(=O)[C@@H](C[NH2+]Cc1cc(C(C)C)ccc1O)CC(C)C ZINC001308795819 1111476451 /nfs/dbraw/zinc/47/64/51/1111476451.db2.gz WQUAUVWXUHKGJC-MRXNPFEDSA-N 1 0 307.434 3.441 20 10 DGCDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)CO2 ZINC001308873278 1111487105 /nfs/dbraw/zinc/48/71/05/1111487105.db2.gz KXQUQRAVSJUCTP-CQSZACIVSA-N 1 0 303.789 3.447 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 ZINC001308904944 1111491545 /nfs/dbraw/zinc/49/15/45/1111491545.db2.gz YPROIZQDISEYDJ-IYBDPMFKSA-N 1 0 318.461 3.271 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2cc(O)ccc2Cl)c(O)c1 ZINC001308920094 1111493249 /nfs/dbraw/zinc/49/32/49/1111493249.db2.gz ZHSOIKIBHAJKOS-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO COc1cc(Cl)cc(CN(C)CC(C)(C)C[NH+](C)C)c1O ZINC001308970650 1111502563 /nfs/dbraw/zinc/50/25/63/1111502563.db2.gz MRAYWIJRCSJYKB-UHFFFAOYSA-N 1 0 314.857 3.074 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)cc1OC ZINC001308983968 1111505247 /nfs/dbraw/zinc/50/52/47/1111505247.db2.gz KRKPMHUOCBEQKW-HIFRSBDPSA-N 1 0 305.418 3.325 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C2CCC2)cc1 ZINC000090185608 185286382 /nfs/dbraw/zinc/28/63/82/185286382.db2.gz UWEWMIVUBAQCNN-OAHLLOKOSA-N 1 0 317.477 3.100 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(N(C)C)cc1 ZINC000090541856 185301861 /nfs/dbraw/zinc/30/18/61/185301861.db2.gz XVWIDHYURJXJHZ-QILLFSRXSA-N 1 0 320.502 3.458 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(N(C)C)cc1 ZINC000090541859 185301945 /nfs/dbraw/zinc/30/19/45/185301945.db2.gz XVWIDHYURJXJHZ-UWWQBHOKSA-N 1 0 320.502 3.458 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000066970231 432024947 /nfs/dbraw/zinc/02/49/47/432024947.db2.gz GHFQYVNHILYIFQ-AWEZNQCLSA-N 1 0 318.392 3.415 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000166606754 432062001 /nfs/dbraw/zinc/06/20/01/432062001.db2.gz DCUIXZLUPVLNKX-AABGKKOBSA-N 1 0 310.441 3.452 20 10 DGCDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccccc1O ZINC000179585147 432064116 /nfs/dbraw/zinc/06/41/16/432064116.db2.gz PISXLGGYPIOIFG-ASSNKEHSSA-N 1 0 303.427 3.323 20 10 DGCDRO COCCOc1ccccc1C[N@H+](C)Cc1ccccc1O ZINC000091974555 193134744 /nfs/dbraw/zinc/13/47/44/193134744.db2.gz KVMDVUMQEXAUOE-UHFFFAOYSA-N 1 0 301.386 3.049 20 10 DGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268812364 432141413 /nfs/dbraw/zinc/14/14/13/432141413.db2.gz FCMKMZHQBRVWNK-CVEARBPZSA-N 1 0 304.478 3.420 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)ccc1OC ZINC000268878669 432146847 /nfs/dbraw/zinc/14/68/47/432146847.db2.gz XEGSVAISUDZUFL-MRXNPFEDSA-N 1 0 315.417 3.122 20 10 DGCDRO CC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccc(N(C)C)cc1 ZINC000268885142 432147195 /nfs/dbraw/zinc/14/71/95/432147195.db2.gz XMQNRDYCVGXXNZ-FAFZWHIHSA-N 1 0 317.477 3.241 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000268867091 432146767 /nfs/dbraw/zinc/14/67/67/432146767.db2.gz UFVJCYNWVJJHEF-LJQANCHMSA-N 1 0 302.462 3.174 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000268949432 432147873 /nfs/dbraw/zinc/14/78/73/432147873.db2.gz VFIMCZSFNPLOGK-XIRDDKMYSA-N 1 0 317.477 3.050 20 10 DGCDRO CC[C@H]([NH2+]Cc1cnn(C)c1)c1cc(Br)ccc1O ZINC000041158856 183179071 /nfs/dbraw/zinc/17/90/71/183179071.db2.gz AOHFEXPHHNLQIL-ZDUSSCGKSA-N 1 0 324.222 3.129 20 10 DGCDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)OC ZINC000272629787 285222344 /nfs/dbraw/zinc/22/23/44/285222344.db2.gz AONVOYZAEZIICG-GDBMZVCRSA-N 1 0 324.440 3.128 20 10 DGCDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)OC ZINC000272629790 285377531 /nfs/dbraw/zinc/37/75/31/285377531.db2.gz AONVOYZAEZIICG-HOCLYGCPSA-N 1 0 324.440 3.128 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268998165 285442383 /nfs/dbraw/zinc/44/23/83/285442383.db2.gz YIKPVDRDMJGVLQ-KRWDZBQOSA-N 1 0 300.446 3.478 20 10 DGCDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000272483885 130034126 /nfs/dbraw/zinc/03/41/26/130034126.db2.gz RZBIORLNMYCTQL-LJQANCHMSA-N 1 0 317.477 3.057 20 10 DGCDRO COc1cccc(N2CC[C@H]([NH2+][C@H](C)c3ccccc3O)C2)c1 ZINC000272831024 130067498 /nfs/dbraw/zinc/06/74/98/130067498.db2.gz HXJTUFCFCCSTLC-CABCVRRESA-N 1 0 312.413 3.330 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccccc1O ZINC000272872662 130071212 /nfs/dbraw/zinc/07/12/12/130071212.db2.gz PALOAFCBKDSXPS-CYBMUJFWSA-N 1 0 310.397 3.135 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2cnc3ccccc32)c1 ZINC000273396617 130115712 /nfs/dbraw/zinc/11/57/12/130115712.db2.gz MBWJYPXMAIDUQZ-ZDUSSCGKSA-N 1 0 311.385 3.101 20 10 DGCDRO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273402631 130117076 /nfs/dbraw/zinc/11/70/76/130117076.db2.gz NPJHZYGISDTXMG-AWEZNQCLSA-N 1 0 312.413 3.219 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(F)ccc1O ZINC000273418551 130118408 /nfs/dbraw/zinc/11/84/08/130118408.db2.gz IYWMACVZZCKONG-CZUORRHYSA-N 1 0 303.377 3.176 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c(O)c1C ZINC000273488123 130128039 /nfs/dbraw/zinc/12/80/39/130128039.db2.gz NRBHQSBHDFAASF-CABCVRRESA-N 1 0 305.418 3.345 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c1 ZINC000273532156 130134196 /nfs/dbraw/zinc/13/41/96/130134196.db2.gz WRCNNJVJHYBCMN-KBPBESRZSA-N 1 0 307.434 3.240 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000273607978 130143040 /nfs/dbraw/zinc/14/30/40/130143040.db2.gz UWYFWZQTJJMDPG-CYBMUJFWSA-N 1 0 304.434 3.068 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(Br)cc1O ZINC000273604564 130143728 /nfs/dbraw/zinc/14/37/28/130143728.db2.gz SUQBKEJURMUDLZ-GARJFASQSA-N 1 0 314.223 3.230 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273617220 130145475 /nfs/dbraw/zinc/14/54/75/130145475.db2.gz XRINLYZMHAMTPS-KBXCAEBGSA-N 1 0 315.413 3.402 20 10 DGCDRO CCn1nc(C[NH2+]Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC000274474336 130239052 /nfs/dbraw/zinc/23/90/52/130239052.db2.gz WHYFTKPVXPTRNE-UHFFFAOYSA-N 1 0 308.429 3.412 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC(C)(C)O)c1O ZINC000275289365 130302054 /nfs/dbraw/zinc/30/20/54/130302054.db2.gz GCKVGDFTMHMSQC-JTQLQIEISA-N 1 0 316.239 3.275 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000279687309 130757664 /nfs/dbraw/zinc/75/76/64/130757664.db2.gz ANTJLRKOXZHSIT-KBPBESRZSA-N 1 0 324.465 3.066 20 10 DGCDRO COc1ccc([C@@H](CN(C)C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000284241361 131062252 /nfs/dbraw/zinc/06/22/52/131062252.db2.gz FCOVWOLSLLVQHB-RDTXWAMCSA-N 1 0 314.429 3.354 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCOC2CCOCC2)c(O)c1 ZINC000284946512 131125926 /nfs/dbraw/zinc/12/59/26/131125926.db2.gz DZBACFUZWBLCJN-HNNXBMFYSA-N 1 0 307.434 3.245 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285533675 131178682 /nfs/dbraw/zinc/17/86/82/131178682.db2.gz LBQIBDPARJMBSY-OAHLLOKOSA-N 1 0 316.367 3.032 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](c2nncn2C)C(C)C)cc1 ZINC000285617963 131187131 /nfs/dbraw/zinc/18/71/31/131187131.db2.gz WIOQJCJALWUMIQ-KRWDZBQOSA-N 1 0 315.465 3.148 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1F ZINC000287729727 131298155 /nfs/dbraw/zinc/29/81/55/131298155.db2.gz PBFYTKJCQPCQDW-FZMZJTMJSA-N 1 0 320.330 3.091 20 10 DGCDRO Cc1cccc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1O ZINC000289266564 131370560 /nfs/dbraw/zinc/37/05/60/131370560.db2.gz FZOLNAFKNMFBKN-UHFFFAOYSA-N 1 0 323.396 3.425 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)cc1F ZINC000289517209 131392437 /nfs/dbraw/zinc/39/24/37/131392437.db2.gz VDDUVVOUGGWXIU-GOSISDBHSA-N 1 0 302.393 3.105 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc3c1OCCCO3)CC2 ZINC000297120930 132000746 /nfs/dbraw/zinc/00/07/46/132000746.db2.gz YOCQNZKYJZTZJO-HNNXBMFYSA-N 1 0 311.381 3.331 20 10 DGCDRO C[NH2+]CCCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000120924055 132147138 /nfs/dbraw/zinc/14/71/38/132147138.db2.gz RBQUJWCAFQLAAI-UHFFFAOYSA-N 1 0 319.836 3.087 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1 ZINC000143384023 400634418 /nfs/dbraw/zinc/63/44/18/400634418.db2.gz IQJPWGBINYWOEX-UHFFFAOYSA-N 1 0 311.429 3.346 20 10 DGCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000282317600 287019577 /nfs/dbraw/zinc/01/95/77/287019577.db2.gz NJCQEUYCYHJJKO-QRQCRPRQSA-N 1 0 320.502 3.239 20 10 DGCDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000269011027 432151033 /nfs/dbraw/zinc/15/10/33/432151033.db2.gz MSUJEINPFGLYLH-AEFFLSMTSA-N 1 0 320.477 3.115 20 10 DGCDRO Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c(C)n1 ZINC000176775556 228319402 /nfs/dbraw/zinc/31/94/02/228319402.db2.gz ATHGLPWUPYJNFL-UHFFFAOYSA-N 1 0 322.412 3.396 20 10 DGCDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000182089946 228366138 /nfs/dbraw/zinc/36/61/38/228366138.db2.gz ZAUYFVSHZDNXQX-CYBMUJFWSA-N 1 0 319.836 3.234 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1OC ZINC000274325324 228700014 /nfs/dbraw/zinc/70/00/14/228700014.db2.gz DQZOZBWFXOQXLW-IAGOWNOFSA-N 1 0 323.433 3.091 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnn2ccccc12 ZINC000355131804 229304742 /nfs/dbraw/zinc/30/47/42/229304742.db2.gz MIKVBQHVYKKAGT-UHFFFAOYSA-N 1 0 304.397 3.424 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCN(c3ccccc3F)C1)CC2 ZINC000297388444 275061738 /nfs/dbraw/zinc/06/17/38/275061738.db2.gz RPBTXZFQGYAODD-GOEBONIOSA-N 1 0 312.388 3.387 20 10 DGCDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(F)c1 ZINC000295883032 276866037 /nfs/dbraw/zinc/86/60/37/276866037.db2.gz HUWAXRVTNDZLGR-IAGOWNOFSA-N 1 0 314.404 3.411 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@]2(C)CCOC2)c(C(F)(F)F)c1 ZINC000280391232 276884052 /nfs/dbraw/zinc/88/40/52/276884052.db2.gz VAJZUPYYWGBTQC-CQSZACIVSA-N 1 0 302.340 3.040 20 10 DGCDRO COCCOc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113321395 431342518 /nfs/dbraw/zinc/34/25/18/431342518.db2.gz PZFOQEOSKAFOOE-UHFFFAOYSA-N 1 0 321.804 3.361 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000113320220 431343046 /nfs/dbraw/zinc/34/30/46/431343046.db2.gz NCDZIGLQCOQCSG-UHFFFAOYSA-N 1 0 317.820 3.331 20 10 DGCDRO Oc1ccccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000074372363 431415339 /nfs/dbraw/zinc/41/53/39/431415339.db2.gz PDZSBTTYWVNEOX-UHFFFAOYSA-N 1 0 301.361 3.327 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1C ZINC000083630492 431810214 /nfs/dbraw/zinc/81/02/14/431810214.db2.gz MQJOCVKEKAKREK-SFHVURJKSA-N 1 0 319.445 3.169 20 10 DGCDRO COCc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000121418710 431784588 /nfs/dbraw/zinc/78/45/88/431784588.db2.gz GOYOVSPSAXQIGJ-CYBMUJFWSA-N 1 0 301.386 3.398 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820009 431916878 /nfs/dbraw/zinc/91/68/78/431916878.db2.gz SYSOWDZEWNFOIG-LJQANCHMSA-N 1 0 300.446 3.289 20 10 DGCDRO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093845537 431918989 /nfs/dbraw/zinc/91/89/89/431918989.db2.gz MRGMPDORPBHZSV-OAHLLOKOSA-N 1 0 314.385 3.187 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000126062988 431940871 /nfs/dbraw/zinc/94/08/71/431940871.db2.gz HLRBFNSBKNFXMR-UHFFFAOYSA-N 1 0 316.445 3.016 20 10 DGCDRO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CC1 ZINC000183262231 432276829 /nfs/dbraw/zinc/27/68/29/432276829.db2.gz FPPQUNSBGNMIIK-SFHVURJKSA-N 1 0 310.445 3.043 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(CO)o2)C2CC2)cc1 ZINC000271052634 432322588 /nfs/dbraw/zinc/32/25/88/432322588.db2.gz QXVUMTAIVLRWMR-UHFFFAOYSA-N 1 0 300.402 3.003 20 10 DGCDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183595254 432306967 /nfs/dbraw/zinc/30/69/67/432306967.db2.gz OYEZOQKHTNZFOH-ZDUSSCGKSA-N 1 0 314.385 3.080 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000184520037 432399931 /nfs/dbraw/zinc/39/99/31/432399931.db2.gz IYHPROGWTBXPRO-KRWDZBQOSA-N 1 0 302.418 3.339 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000271990420 432433641 /nfs/dbraw/zinc/43/36/41/432433641.db2.gz RQPACMKTEZLDSJ-HNNXBMFYSA-N 1 0 312.417 3.076 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1cc(F)ccc1O)c1cccc(Cl)c1 ZINC000184961922 432448826 /nfs/dbraw/zinc/44/88/26/432448826.db2.gz SAEMNYIZVQCGAT-INIZCTEOSA-N 1 0 309.768 3.182 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(F)ccc1O ZINC000184973696 432450526 /nfs/dbraw/zinc/45/05/26/432450526.db2.gz FBZVCIVSFVHPIN-CYBMUJFWSA-N 1 0 315.392 3.377 20 10 DGCDRO C[C@@H]([NH2+]CCc1cccnc1)c1ccc(Br)cc1O ZINC000184980608 432453088 /nfs/dbraw/zinc/45/30/88/432453088.db2.gz UYEDXWSTLRFUGU-LLVKDONJSA-N 1 0 321.218 3.443 20 10 DGCDRO COCCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185012657 432456150 /nfs/dbraw/zinc/45/61/50/432456150.db2.gz YGEJTIZMTNTZBM-CYBMUJFWSA-N 1 0 319.376 3.407 20 10 DGCDRO CCC1(CO)CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184697678 432423023 /nfs/dbraw/zinc/42/30/23/432423023.db2.gz DKBBBVQVFBTAEC-UHFFFAOYSA-N 1 0 313.825 3.039 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1OC ZINC000271805045 432424285 /nfs/dbraw/zinc/42/42/85/432424285.db2.gz MCSBYNLZEJUWHD-CQSZACIVSA-N 1 0 302.374 3.075 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCNc2ccccn2)c1 ZINC000185325488 432490933 /nfs/dbraw/zinc/49/09/33/432490933.db2.gz LTVJHIRORBUFGF-AWEZNQCLSA-N 1 0 315.417 3.339 20 10 DGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185439332 432500440 /nfs/dbraw/zinc/50/04/40/432500440.db2.gz DCDALLMHCFBNSC-PKFCDNJMSA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000185475525 432503693 /nfs/dbraw/zinc/50/36/93/432503693.db2.gz HJKDITBZTMCCCR-DMZKTXOQSA-N 1 0 323.502 3.469 20 10 DGCDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185503748 432507480 /nfs/dbraw/zinc/50/74/80/432507480.db2.gz NQUAIERDFWLYAS-ONGXEEELSA-N 1 0 302.212 3.230 20 10 DGCDRO COCc1ccccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000193893721 432507517 /nfs/dbraw/zinc/50/75/17/432507517.db2.gz DFIWVKCEVGOTPB-CYBMUJFWSA-N 1 0 301.386 3.398 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)c1 ZINC000185119749 432467885 /nfs/dbraw/zinc/46/78/85/432467885.db2.gz XBLSJDNAVXCFLR-QWHCGFSZSA-N 1 0 301.386 3.305 20 10 DGCDRO Oc1ccccc1CN(Cc1cscn1)C[C@H]1CCCO1 ZINC000176799407 432553601 /nfs/dbraw/zinc/55/36/01/432553601.db2.gz NUJUXTXEAMFPTN-OAHLLOKOSA-N 1 0 304.415 3.030 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272503632 432514668 /nfs/dbraw/zinc/51/46/68/432514668.db2.gz HLSBUNWDXMXIRD-OAHLLOKOSA-N 1 0 313.397 3.302 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1 ZINC000185609701 432515039 /nfs/dbraw/zinc/51/50/39/432515039.db2.gz LQCBUHQFRXCIOD-AWEZNQCLSA-N 1 0 317.458 3.036 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000185657793 432520849 /nfs/dbraw/zinc/52/08/49/432520849.db2.gz FJASGGPQGYOTMG-HFZMZTSTSA-N 1 0 309.475 3.431 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c1O ZINC000185677621 432524267 /nfs/dbraw/zinc/52/42/67/432524267.db2.gz IWDBPAWAICCXCR-RDTXWAMCSA-N 1 0 314.429 3.182 20 10 DGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000185788190 432534349 /nfs/dbraw/zinc/53/43/49/432534349.db2.gz DEWQJRMIIKIHIG-DZGCQCFKSA-N 1 0 312.413 3.207 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000185812793 432535033 /nfs/dbraw/zinc/53/50/33/432535033.db2.gz KAACORXIBABBHC-YOEHRIQHSA-N 1 0 310.397 3.157 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000185812731 432535274 /nfs/dbraw/zinc/53/52/74/432535274.db2.gz KAACORXIBABBHC-RHSMWYFYSA-N 1 0 310.397 3.157 20 10 DGCDRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185825914 432536239 /nfs/dbraw/zinc/53/62/39/432536239.db2.gz VDUHAFWMOPUZTL-KBXCAEBGSA-N 1 0 315.413 3.484 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000185828978 432536647 /nfs/dbraw/zinc/53/66/47/432536647.db2.gz FPMUVUNVJDYFCD-GUYCJALGSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185825897 432536752 /nfs/dbraw/zinc/53/67/52/432536752.db2.gz VDUHAFWMOPUZTL-RDTXWAMCSA-N 1 0 315.413 3.484 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1O ZINC000155189391 432541198 /nfs/dbraw/zinc/54/11/98/432541198.db2.gz HHFZAXJDVNCKPJ-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c(O)c1C ZINC000273614497 432616621 /nfs/dbraw/zinc/61/66/21/432616621.db2.gz WXRUIIOYNODVPC-ZDUSSCGKSA-N 1 0 308.422 3.184 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000186189662 432566362 /nfs/dbraw/zinc/56/63/62/432566362.db2.gz VCUVUZQKDDLAOO-SCLBCKFNSA-N 1 0 303.377 3.398 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c(O)c1 ZINC000186190000 432566948 /nfs/dbraw/zinc/56/69/48/432566948.db2.gz OEWXSSDMQOSDGD-UGSOOPFHSA-N 1 0 303.377 3.398 20 10 DGCDRO Cc1cc(C(=O)NCC2=CC[NH2+]CC2)c(C)n1-c1ccccc1C ZINC000186306355 432579187 /nfs/dbraw/zinc/57/91/87/432579187.db2.gz OZRVFMLYLTUDGB-UHFFFAOYSA-N 1 0 323.440 3.052 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186905247 432637214 /nfs/dbraw/zinc/63/72/14/432637214.db2.gz RUUXUNHMKATTJS-UHFFFAOYSA-N 1 0 322.412 3.049 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](COC)c2ccco2)c(O)c1 ZINC000177576964 432637871 /nfs/dbraw/zinc/63/78/71/432637871.db2.gz AHQVBQZAONWBBE-OAHLLOKOSA-N 1 0 305.374 3.251 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cn3cc(C)ccc3n2)c1O ZINC000264373751 432639892 /nfs/dbraw/zinc/63/98/92/432639892.db2.gz MQIFEZXKNYJHGN-UHFFFAOYSA-N 1 0 311.385 3.037 20 10 DGCDRO C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C ZINC000222079569 432669382 /nfs/dbraw/zinc/66/93/82/432669382.db2.gz MFNKNTHRXHHLDQ-ZDUSSCGKSA-N 1 0 320.433 3.014 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCc2c[nH]nc2C)cc1 ZINC000177853000 432668302 /nfs/dbraw/zinc/66/83/02/432668302.db2.gz QWABENXYDFLUIC-CQSZACIVSA-N 1 0 300.450 3.458 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]CC1CCSCC1 ZINC000226651183 432708741 /nfs/dbraw/zinc/70/87/41/432708741.db2.gz BNZSIVGMGQLROG-UHFFFAOYSA-N 1 0 316.264 3.388 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2ccc(C)o2)cc1 ZINC000265967142 432749186 /nfs/dbraw/zinc/74/91/86/432749186.db2.gz KBFKYQSIEFDKGH-KRWDZBQOSA-N 1 0 302.418 3.257 20 10 DGCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)o1 ZINC000266166134 432751736 /nfs/dbraw/zinc/75/17/36/432751736.db2.gz PLQVDIMFIPMUHC-SFHVURJKSA-N 1 0 320.408 3.099 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1ccccc1O ZINC000275873295 432756793 /nfs/dbraw/zinc/75/67/93/432756793.db2.gz JYPNXNNDZVTCCJ-INIZCTEOSA-N 1 0 314.433 3.133 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000276456808 432809494 /nfs/dbraw/zinc/80/94/94/432809494.db2.gz VLTMEAZPTKRHOY-YJYMSZOUSA-N 1 0 315.413 3.347 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCSc3ccccc31)OCO2 ZINC000238137752 432813216 /nfs/dbraw/zinc/81/32/16/432813216.db2.gz GUUVMUZUDIUGAI-CYBMUJFWSA-N 1 0 315.394 3.448 20 10 DGCDRO C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CC[S@@]1=O ZINC000277779332 432875716 /nfs/dbraw/zinc/87/57/16/432875716.db2.gz WOEOSHZJRSNSEW-AOMKIAJQSA-N 1 0 320.502 3.020 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)CC2 ZINC000296240659 432887372 /nfs/dbraw/zinc/88/73/72/432887372.db2.gz ATCKIEUGYGVTPQ-HOCLYGCPSA-N 1 0 303.789 3.356 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1C ZINC000278308843 432890851 /nfs/dbraw/zinc/89/08/51/432890851.db2.gz DZCURHBOQYNGRC-DOMZBBRYSA-N 1 0 317.351 3.144 20 10 DGCDRO COc1ncc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1Cl ZINC000296278942 432891059 /nfs/dbraw/zinc/89/10/59/432891059.db2.gz DYEIYGKYWLCRJF-SECBINFHSA-N 1 0 310.756 3.439 20 10 DGCDRO COc1ncc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1Cl ZINC000296589158 432923439 /nfs/dbraw/zinc/92/34/39/432923439.db2.gz UVXDOGPUKJOHIN-CYBMUJFWSA-N 1 0 304.777 3.226 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCc3nccn3C2)cc1 ZINC000279008856 432926197 /nfs/dbraw/zinc/92/61/97/432926197.db2.gz SOVSGMZJQMXNPI-HZPDHXFCSA-N 1 0 312.461 3.252 20 10 DGCDRO CC(C)(C)OCc1cc(CN[C@@H]2CCc3cccc(O)c32)no1 ZINC000296383268 432902794 /nfs/dbraw/zinc/90/27/94/432902794.db2.gz JHVGVMXJKAKOAW-OAHLLOKOSA-N 1 0 316.401 3.472 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@H]1CCCO1 ZINC000278838955 432906891 /nfs/dbraw/zinc/90/68/91/432906891.db2.gz PKECFUCEGVMFMS-SOVGHPHASA-N 1 0 319.445 3.116 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CC(F)(F)C1 ZINC000296542206 432920167 /nfs/dbraw/zinc/92/01/67/432920167.db2.gz NZXCIJJMXSWLDE-UHFFFAOYSA-N 1 0 310.388 3.000 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@H]1CCCO1 ZINC000278955710 432921009 /nfs/dbraw/zinc/92/10/09/432921009.db2.gz ZTNVHKBYKCJZMY-DOPJRALCSA-N 1 0 315.413 3.390 20 10 DGCDRO COc1cc(O)c(C[NH2+]C(C2CCC2)C2CCC2)cc1OC ZINC000289852065 432977312 /nfs/dbraw/zinc/97/73/12/432977312.db2.gz VAIOBBNQZKRJSF-UHFFFAOYSA-N 1 0 305.418 3.468 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000279687315 432990579 /nfs/dbraw/zinc/99/05/79/432990579.db2.gz ANTJLRKOXZHSIT-ZIAGYGMSSA-N 1 0 324.465 3.066 20 10 DGCDRO CC[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(C)cc1O ZINC000280038629 433000235 /nfs/dbraw/zinc/00/02/35/433000235.db2.gz ISOVNQLOIRJLJA-KRWDZBQOSA-N 1 0 307.434 3.327 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2c3ccccc3O[C@H]2C)cc1OC ZINC000290185641 433008152 /nfs/dbraw/zinc/00/81/52/433008152.db2.gz ODYIWZRXDVANIR-BBATYDOGSA-N 1 0 315.369 3.021 20 10 DGCDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c(C(F)F)n1 ZINC000291105014 433224177 /nfs/dbraw/zinc/22/41/77/433224177.db2.gz BGHKWEQJDRBLHU-UHFFFAOYSA-N 1 0 320.387 3.030 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000291704122 433320923 /nfs/dbraw/zinc/32/09/23/433320923.db2.gz ZGSVUIYVJQVZAK-QGZVFWFLSA-N 1 0 324.424 3.038 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000130884795 289981604 /nfs/dbraw/zinc/98/16/04/289981604.db2.gz VGRSQVZFTLJCOK-ZDUSSCGKSA-N 1 0 312.417 3.094 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(C)cc(Cl)n2)c1 ZINC000282158469 433515703 /nfs/dbraw/zinc/51/57/03/433515703.db2.gz XPRWOBIXFHUAHT-UHFFFAOYSA-N 1 0 306.793 3.438 20 10 DGCDRO COc1cccc(C[NH2+]C(C)(C)COCc2ccccc2)c1O ZINC000282303807 433561199 /nfs/dbraw/zinc/56/11/99/433561199.db2.gz RZBKNHWVDUCKSN-UHFFFAOYSA-N 1 0 315.413 3.486 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282386006 433589628 /nfs/dbraw/zinc/58/96/28/433589628.db2.gz GIVYFBGWTSNLFZ-INIZCTEOSA-N 1 0 317.429 3.480 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282954480 433643485 /nfs/dbraw/zinc/64/34/85/433643485.db2.gz ZITNCIJWLRFBKS-CXAGYDPISA-N 1 0 305.418 3.401 20 10 DGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000362333880 433652492 /nfs/dbraw/zinc/65/24/92/433652492.db2.gz FFBDZULLTLXYRG-HNNXBMFYSA-N 1 0 305.809 3.425 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1F ZINC000362385651 433676767 /nfs/dbraw/zinc/67/67/67/433676767.db2.gz DKJBCXZGWMKVQT-MRXNPFEDSA-N 1 0 316.424 3.135 20 10 DGCDRO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000293439021 433738857 /nfs/dbraw/zinc/73/88/57/433738857.db2.gz JTXGDRQKULQNOC-INIZCTEOSA-N 1 0 314.433 3.132 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000293537352 433776003 /nfs/dbraw/zinc/77/60/03/433776003.db2.gz CKMQGQBHOQNYJT-SFHVURJKSA-N 1 0 300.446 3.144 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](CO)CC(C)(C)C)CC2)cc1 ZINC000362638191 433800244 /nfs/dbraw/zinc/80/02/44/433800244.db2.gz SFPDBPASBGTBSN-INIZCTEOSA-N 1 0 320.477 3.051 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1 ZINC000376729129 433805022 /nfs/dbraw/zinc/80/50/22/433805022.db2.gz OHDLMZHPSVDEJC-UHFFFAOYSA-N 1 0 312.461 3.355 20 10 DGCDRO CC[C@@H]([NH2+]CC1(COC)CCOCC1)c1ccc(C)cc1O ZINC000293800398 433869757 /nfs/dbraw/zinc/86/97/57/433869757.db2.gz UXJUCLLILMJCMU-MRXNPFEDSA-N 1 0 307.434 3.185 20 10 DGCDRO COCc1nc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cs1 ZINC000293975443 433949993 /nfs/dbraw/zinc/94/99/93/433949993.db2.gz QXJSVSLCQOQKCR-UHFFFAOYSA-N 1 0 316.785 3.077 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c(O)c1 ZINC000294786307 434143931 /nfs/dbraw/zinc/14/39/31/434143931.db2.gz OBHXNXZNSAMBCB-YOEHRIQHSA-N 1 0 308.491 3.097 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000294942118 434155856 /nfs/dbraw/zinc/15/58/56/434155856.db2.gz CJHJSZJPAHZRJR-MRXNPFEDSA-N 1 0 321.804 3.220 20 10 DGCDRO C[N@H+](Cc1cc(F)ccc1O)[C@H](CO)c1ccc(Cl)cc1 ZINC000294978005 434157495 /nfs/dbraw/zinc/15/74/95/434157495.db2.gz GIOJXDCKVQFUDE-OAHLLOKOSA-N 1 0 309.768 3.350 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)c1O ZINC000295014674 434160404 /nfs/dbraw/zinc/16/04/04/434160404.db2.gz MKTNEGNFBQEAIW-AWEZNQCLSA-N 1 0 313.825 3.301 20 10 DGCDRO CS[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000295036205 434164606 /nfs/dbraw/zinc/16/46/06/434164606.db2.gz MCJJCDWEZIRYBJ-NSHDSACASA-N 1 0 302.237 3.092 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000365936435 434316405 /nfs/dbraw/zinc/31/64/05/434316405.db2.gz LPOZHZWPSSAWPP-PKOBYXMFSA-N 1 0 300.446 3.288 20 10 DGCDRO CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000287534718 434387119 /nfs/dbraw/zinc/38/71/19/434387119.db2.gz PCOKPDIZORSUQK-WMLDXEAASA-N 1 0 324.440 3.073 20 10 DGCDRO OC[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000368013519 434563327 /nfs/dbraw/zinc/56/33/27/434563327.db2.gz BJDXSQQHAAUPID-LJQANCHMSA-N 1 0 322.452 3.064 20 10 DGCDRO COc1cccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1O ZINC000092436999 295296904 /nfs/dbraw/zinc/29/69/04/295296904.db2.gz WXOBNPJGPHWOCB-INIZCTEOSA-N 1 0 317.385 3.175 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc2ccccc2c1O ZINC000370399705 434611074 /nfs/dbraw/zinc/61/10/74/434611074.db2.gz VMOXWRMDJRQKEL-IUODEOHRSA-N 1 0 307.397 3.477 20 10 DGCDRO COc1cccc([C@H](C[NH2+]Cc2ccc(OC)c(C)c2)OC)c1 ZINC000527738375 435013876 /nfs/dbraw/zinc/01/38/76/435013876.db2.gz ITAAYECCZJRFST-IBGZPJMESA-N 1 0 315.413 3.490 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c(OC)c1 ZINC000273302353 533697875 /nfs/dbraw/zinc/69/78/75/533697875.db2.gz BSPMFZVYDQLAKT-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO CC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H](C)CO ZINC000293734433 335112807 /nfs/dbraw/zinc/11/28/07/335112807.db2.gz VBVQFELMWBGRCJ-HNNXBMFYSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccccc2O)N(C)C)c1 ZINC000192865317 533719614 /nfs/dbraw/zinc/71/96/14/533719614.db2.gz WWAOJVLAYLKEOP-KBXCAEBGSA-N 1 0 314.429 3.354 20 10 DGCDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000177988173 533842175 /nfs/dbraw/zinc/84/21/75/533842175.db2.gz KQGCUSVLXXPFFK-INIZCTEOSA-N 1 0 317.477 3.196 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CCC(C)(C)O3)CC2)cc1 ZINC000184665771 534003708 /nfs/dbraw/zinc/00/37/08/534003708.db2.gz JNUDZTVBXWZMTJ-SFHVURJKSA-N 1 0 318.461 3.165 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccccn2)c1O ZINC000181789519 518278892 /nfs/dbraw/zinc/27/88/92/518278892.db2.gz HCLOICKHWGZWEN-SNVBAGLBSA-N 1 0 304.777 3.494 20 10 DGCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000124143272 519503648 /nfs/dbraw/zinc/50/36/48/519503648.db2.gz QRJPEWHIRRRBFX-ZDUSSCGKSA-N 1 0 324.852 3.030 20 10 DGCDRO CCOCc1cc(C[NH2+]CCC(=O)OC(C)(C)C)ccc1OC ZINC000266176963 520184910 /nfs/dbraw/zinc/18/49/10/520184910.db2.gz UDQOHGXPBSNEAE-UHFFFAOYSA-N 1 0 323.433 3.053 20 10 DGCDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000180180241 520273043 /nfs/dbraw/zinc/27/30/43/520273043.db2.gz KGBZQDQAAUDYJB-OAHLLOKOSA-N 1 0 323.433 3.191 20 10 DGCDRO CCCOc1ccc(C[N@H+](C)CCC2CCOCC2)c(O)c1 ZINC000129675477 520346010 /nfs/dbraw/zinc/34/60/10/520346010.db2.gz KDKUXMADRUEUGO-UHFFFAOYSA-N 1 0 307.434 3.430 20 10 DGCDRO CCOc1cccc(C[NH2+]C(CC)(CC)CC(=O)OC)c1O ZINC000267274187 521358505 /nfs/dbraw/zinc/35/85/05/521358505.db2.gz NCZKVXUCXBZPKX-UHFFFAOYSA-N 1 0 309.406 3.002 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)C2CCCCC2)c1O ZINC000191673612 521364054 /nfs/dbraw/zinc/36/40/54/521364054.db2.gz RAPWUZRPFFQGJT-GOSISDBHSA-N 1 0 307.434 3.212 20 10 DGCDRO C[NH2+]CCN(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000237345159 522004298 /nfs/dbraw/zinc/00/42/98/522004298.db2.gz MRUSDPXDMWOUDJ-UHFFFAOYSA-N 1 0 319.836 3.039 20 10 DGCDRO CC[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccccc1O ZINC000155819688 522570871 /nfs/dbraw/zinc/57/08/71/522570871.db2.gz CBMBCFAMFYKTFQ-HNNXBMFYSA-N 1 0 304.434 3.082 20 10 DGCDRO COc1ccccc1C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000159481043 524435705 /nfs/dbraw/zinc/43/57/05/524435705.db2.gz TVDCPGIKYZPCGH-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000180717869 524740140 /nfs/dbraw/zinc/74/01/40/524740140.db2.gz RWRJCFTWODZKIQ-YOEHRIQHSA-N 1 0 317.385 3.082 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000134787581 524765069 /nfs/dbraw/zinc/76/50/69/524765069.db2.gz PBZSVVNTXDSMDX-KVPRVUCYSA-N 1 0 303.402 3.009 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2N(C)C)c1 ZINC000182449391 524767530 /nfs/dbraw/zinc/76/75/30/524767530.db2.gz MLWYNKCWYGTYMB-CYBMUJFWSA-N 1 0 300.402 3.318 20 10 DGCDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000273559484 534842340 /nfs/dbraw/zinc/84/23/40/534842340.db2.gz HSZGGISXMQGAHL-FNBIGBAISA-N 1 0 310.825 3.144 20 10 DGCDRO CSC1(C[NH2+]Cc2c(O)cccc2Cl)CCOCC1 ZINC000266137532 525334091 /nfs/dbraw/zinc/33/40/91/525334091.db2.gz GCJVAERKQBQSGR-UHFFFAOYSA-N 1 0 301.839 3.047 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)c1cccc(F)c1 ZINC000267145608 525526443 /nfs/dbraw/zinc/52/64/43/525526443.db2.gz AXCYPGGOHCDNSV-ACJLOTCBSA-N 1 0 302.393 3.103 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](O)c1cccc(F)c1 ZINC000267180343 525526620 /nfs/dbraw/zinc/52/66/20/525526620.db2.gz KANYPYIZICFYJA-XIKOKIGWSA-N 1 0 320.383 3.243 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(=O)NC(C)(C)C ZINC000181234541 525535087 /nfs/dbraw/zinc/53/50/87/525535087.db2.gz NJWFXNYZLJONKR-STQMWFEESA-N 1 0 314.429 3.499 20 10 DGCDRO Cc1ccoc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160195804 525797806 /nfs/dbraw/zinc/79/78/06/525797806.db2.gz RFCAHVGIXOOETA-INIZCTEOSA-N 1 0 301.386 3.475 20 10 DGCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000180271185 526348397 /nfs/dbraw/zinc/34/83/97/526348397.db2.gz ZNMDLUJMBGSTGE-HOCLYGCPSA-N 1 0 305.349 3.212 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000131092356 526357292 /nfs/dbraw/zinc/35/72/92/526357292.db2.gz CXAGUQVBVCYKAE-FUHWJXTLSA-N 1 0 315.438 3.252 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1cncs1)C[C@H]1CCCO1 ZINC000160174024 526372724 /nfs/dbraw/zinc/37/27/24/526372724.db2.gz MXDMLBOYRGMWKD-CQSZACIVSA-N 1 0 304.415 3.030 20 10 DGCDRO Oc1ccccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000238110902 526374363 /nfs/dbraw/zinc/37/43/63/526374363.db2.gz YNMRSSLOKQVXLS-LJQANCHMSA-N 1 0 311.381 3.404 20 10 DGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268812370 529206880 /nfs/dbraw/zinc/20/68/80/529206880.db2.gz FCMKMZHQBRVWNK-JKSUJKDBSA-N 1 0 304.478 3.420 20 10 DGCDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273596458 535182509 /nfs/dbraw/zinc/18/25/09/535182509.db2.gz QVLUVGGHOCANBF-GXFFZTMASA-N 1 0 316.239 3.212 20 10 DGCDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1=O ZINC000273449180 535265954 /nfs/dbraw/zinc/26/59/54/535265954.db2.gz FOSOMCYAKPMEMF-DZGCQCFKSA-N 1 0 312.413 3.205 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000283836922 535752992 /nfs/dbraw/zinc/75/29/92/535752992.db2.gz FKJDXMGRGYGVMG-UHFFFAOYSA-N 1 0 324.327 3.077 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCCc2cccc(C)n2)c1 ZINC000285711159 535753033 /nfs/dbraw/zinc/75/30/33/535753033.db2.gz WKMPGMAEVACGFF-UHFFFAOYSA-N 1 0 300.402 3.217 20 10 DGCDRO CCC[C@]1([NH2+]Cc2ccc(OC)c(COCC)c2)CCOC1 ZINC000285553169 535770592 /nfs/dbraw/zinc/77/05/92/535770592.db2.gz QXALMJJJYNPXHD-SFHVURJKSA-N 1 0 307.434 3.281 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C)cc1O ZINC000285729122 535808116 /nfs/dbraw/zinc/80/81/16/535808116.db2.gz QSJXPDKUSAVQJG-IIDMSEBBSA-N 1 0 318.461 3.435 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccccc1O ZINC000274736612 535945051 /nfs/dbraw/zinc/94/50/51/535945051.db2.gz DHTWYJNTNPULFB-RDJZCZTQSA-N 1 0 303.377 3.176 20 10 DGCDRO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000273542176 536153922 /nfs/dbraw/zinc/15/39/22/536153922.db2.gz YPKKJHVBSZNZBR-RYUDHWBXSA-N 1 0 314.433 3.363 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCCN2CC)cc1 ZINC000732229972 574568852 /nfs/dbraw/zinc/56/88/52/574568852.db2.gz RXBJKMNABMUOOR-IBGZPJMESA-N 1 0 303.494 3.497 20 10 DGCDRO CN(Cc1cccnc1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000732411263 574574015 /nfs/dbraw/zinc/57/40/15/574574015.db2.gz ZNYBXKYZKFLKJY-UHFFFAOYSA-N 1 0 319.836 3.312 20 10 DGCDRO CN(Cc1ccccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410925 574574047 /nfs/dbraw/zinc/57/40/47/574574047.db2.gz NLSFZOPFFFLBLQ-UHFFFAOYSA-N 1 0 302.393 3.403 20 10 DGCDRO CCNC(=O)c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733325135 574615724 /nfs/dbraw/zinc/61/57/24/574615724.db2.gz ZYPHJVCBJGMDNX-UHFFFAOYSA-N 1 0 318.804 3.085 20 10 DGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(O)cccc1Cl ZINC000733327170 574616221 /nfs/dbraw/zinc/61/62/21/574616221.db2.gz OAHLXHCFHDJEAA-UHFFFAOYSA-N 1 0 322.748 3.252 20 10 DGCDRO O=C(CC[NH2+]Cc1ccc(N2CCCC2)cc1)Nc1ccccc1 ZINC000733330490 574617126 /nfs/dbraw/zinc/61/71/26/574617126.db2.gz YAIXYGWINMIGGQ-UHFFFAOYSA-N 1 0 323.440 3.405 20 10 DGCDRO C[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCCc2ccccc21 ZINC000734843791 574678704 /nfs/dbraw/zinc/67/87/04/574678704.db2.gz QDOUMYRJDLRHAA-LJQANCHMSA-N 1 0 311.381 3.462 20 10 DGCDRO CCC[N@H+](CCN1CCCCC1)Cc1ccc(N(C)C)cc1 ZINC000736946476 574812271 /nfs/dbraw/zinc/81/22/71/574812271.db2.gz OOHRMSRTNBQERN-UHFFFAOYSA-N 1 0 303.494 3.451 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCc1nc2c(cccc2C)o1 ZINC000742710057 575014230 /nfs/dbraw/zinc/01/42/30/575014230.db2.gz DXAUMDSCMWMWCO-UHFFFAOYSA-N 1 0 312.369 3.183 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1COc2ccccc2O1 ZINC000743870573 575067744 /nfs/dbraw/zinc/06/77/44/575067744.db2.gz XYEWXVGENMPILZ-INIZCTEOSA-N 1 0 313.397 3.444 20 10 DGCDRO Cc1cc(C(=O)N(C)CC[NH+](C)C)c(C)n1-c1ccccc1C ZINC000747999319 575555851 /nfs/dbraw/zinc/55/58/51/575555851.db2.gz LDMCAXBPXGCEFK-UHFFFAOYSA-N 1 0 313.445 3.036 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000748245621 575575084 /nfs/dbraw/zinc/57/50/84/575575084.db2.gz BZAPNEICTDJEJS-KRWDZBQOSA-N 1 0 317.433 3.401 20 10 DGCDRO COC(=O)/C(C)=C\C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000748810124 575608682 /nfs/dbraw/zinc/60/86/82/575608682.db2.gz QQLPWAXXTNDXQQ-WJDWOHSUSA-N 1 0 316.445 3.228 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2(CO)CCCCC2)ccc1OC ZINC000751508726 575787562 /nfs/dbraw/zinc/78/75/62/575787562.db2.gz BVUGZVZQVFOKJZ-UHFFFAOYSA-N 1 0 321.461 3.264 20 10 DGCDRO CNC(=O)C[N@H+](C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000916567689 620637049 /nfs/dbraw/zinc/63/70/49/620637049.db2.gz MVKSGXZJFAKMEP-UHFFFAOYSA-N 1 0 320.477 3.165 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000852825297 620651200 /nfs/dbraw/zinc/65/12/00/620651200.db2.gz NCXLNSXMVJIQLS-UHFFFAOYSA-N 1 0 324.424 3.090 20 10 DGCDRO CCC(C)(C)NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075284 620654956 /nfs/dbraw/zinc/65/49/56/620654956.db2.gz TULDAJYSCALZAX-UHFFFAOYSA-N 1 0 319.493 3.268 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cnccc2C(F)(F)F)cc1 ZINC000853094330 620668149 /nfs/dbraw/zinc/66/81/49/620668149.db2.gz BEXAJJOVUOCDOM-UHFFFAOYSA-N 1 0 309.335 3.456 20 10 DGCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000918186709 620701347 /nfs/dbraw/zinc/70/13/47/620701347.db2.gz GZOQSLHZFKWPET-MRXNPFEDSA-N 1 0 311.429 3.364 20 10 DGCDRO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CC1=CCCOC1 ZINC000853561638 620709767 /nfs/dbraw/zinc/70/97/67/620709767.db2.gz LKXNTIQOBNDFOG-UHFFFAOYSA-N 1 0 305.418 3.174 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)c2c1 ZINC000853586648 620712722 /nfs/dbraw/zinc/71/27/22/620712722.db2.gz VTJKDPBAAZVXIK-GJZGRUSLSA-N 1 0 313.397 3.022 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCN(Cc3ccsc3)CC2)cc1C ZINC000023856247 617797301 /nfs/dbraw/zinc/79/73/01/617797301.db2.gz QQLUEYOHWDPPOQ-UHFFFAOYSA-N 1 0 316.470 3.388 20 10 DGCDRO COc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c(O)c1OC ZINC000892112118 617964641 /nfs/dbraw/zinc/96/46/41/617964641.db2.gz PNNBPNIMHDIHMG-ZDUSSCGKSA-N 1 0 313.397 3.356 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CS[C@H](C)C3)CC2)cc1 ZINC000840856985 618023557 /nfs/dbraw/zinc/02/35/57/618023557.db2.gz SXGJEFSRLVQKLW-HIFRSBDPSA-N 1 0 306.475 3.148 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC000840875260 618051103 /nfs/dbraw/zinc/05/11/03/618051103.db2.gz LCZMOKDJCFNMTL-INIZCTEOSA-N 1 0 309.768 3.316 20 10 DGCDRO COc1ccc(C[NH2+]CCO[C@H]2CCCC[C@@H]2C)c(O)c1OC ZINC000892580037 618112211 /nfs/dbraw/zinc/11/22/11/618112211.db2.gz YVVYQTFNSWATRS-ZFWWWQNUSA-N 1 0 323.433 3.094 20 10 DGCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000840889849 618144301 /nfs/dbraw/zinc/14/43/01/618144301.db2.gz IUXAXALYSRXJPA-HZPDHXFCSA-N 1 0 317.477 3.241 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)o1 ZINC000892732755 618150961 /nfs/dbraw/zinc/15/09/61/618150961.db2.gz KOPOMNHOHUJCEU-UHFFFAOYSA-N 1 0 300.402 3.351 20 10 DGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)CCC3)CC2 ZINC000920084221 620782645 /nfs/dbraw/zinc/78/26/45/620782645.db2.gz LYMOYLNIELOEFA-UHFFFAOYSA-N 1 0 309.409 3.448 20 10 DGCDRO CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000854230432 620786654 /nfs/dbraw/zinc/78/66/54/620786654.db2.gz PLUPLZUTYRUMIM-GXFFZTMASA-N 1 0 304.356 3.435 20 10 DGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892743223 618298198 /nfs/dbraw/zinc/29/81/98/618298198.db2.gz LLSQGKIKFBGABM-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(O)c1OC ZINC000894450120 618335553 /nfs/dbraw/zinc/33/55/53/618335553.db2.gz SDDRVUQIDBOKOJ-HNNXBMFYSA-N 1 0 314.385 3.142 20 10 DGCDRO CCc1ccc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000893008975 618387959 /nfs/dbraw/zinc/38/79/59/618387959.db2.gz PJRVVPNSSGGXEK-UHFFFAOYSA-N 1 0 315.413 3.304 20 10 DGCDRO COc1cc(C)cc(CN2CCCC[C@@H]2c2nc(C)no2)c1O ZINC000894757217 618447643 /nfs/dbraw/zinc/44/76/43/618447643.db2.gz UJTMURQMKYLCLD-CQSZACIVSA-N 1 0 317.389 3.128 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c(O)c1OC ZINC000894772689 618450207 /nfs/dbraw/zinc/45/02/07/618450207.db2.gz MLSWHJRMNVRPEX-QGZVFWFLSA-N 1 0 323.458 3.129 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccc(F)cc2C)c(O)c1OC ZINC000893162267 618452152 /nfs/dbraw/zinc/45/21/52/618452152.db2.gz JJJSHIHKQMGNQM-UHFFFAOYSA-N 1 0 319.376 3.189 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894798673 618460247 /nfs/dbraw/zinc/46/02/47/618460247.db2.gz FTSUERPARHWABS-LJQANCHMSA-N 1 0 318.461 3.310 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)[C@H](CO)SC)c1cc(Cl)ccc1O ZINC000775509396 618501908 /nfs/dbraw/zinc/50/19/08/618501908.db2.gz LILXHFJPTWIXHS-WFBYXXMGSA-N 1 0 303.855 3.199 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c(Cl)c1 ZINC000840908181 618522156 /nfs/dbraw/zinc/52/21/56/618522156.db2.gz PIPRCNJKTVXHEG-GFCCVEGCSA-N 1 0 311.809 3.129 20 10 DGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895235024 618579564 /nfs/dbraw/zinc/57/95/64/618579564.db2.gz HVXCMSSMJYGJNM-UHFFFAOYSA-N 1 0 309.450 3.376 20 10 DGCDRO C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000925738274 618591270 /nfs/dbraw/zinc/59/12/70/618591270.db2.gz PSFAWKYVZGQQLW-QMMMGPOBSA-N 1 0 319.218 3.072 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000895310380 618592852 /nfs/dbraw/zinc/59/28/52/618592852.db2.gz ODILLVZJBPVGBV-AWEZNQCLSA-N 1 0 316.401 3.055 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3nc(C)c(C)s3)C2)cc1 ZINC000895311248 618592889 /nfs/dbraw/zinc/59/28/89/618592889.db2.gz WQPVMZZSCDVYKS-AWEZNQCLSA-N 1 0 317.458 3.137 20 10 DGCDRO COc1ccc(C[N@@H+]2CCc3ccc(C)cc3C2)c(O)c1OC ZINC000895330989 618597123 /nfs/dbraw/zinc/59/71/23/618597123.db2.gz SYYHOSHRMMGARB-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCc2nc(C)ncc21 ZINC000840934816 618609731 /nfs/dbraw/zinc/60/97/31/618609731.db2.gz XZVUTCHLDKNCKN-GOSISDBHSA-N 1 0 310.445 3.327 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000840937484 618610523 /nfs/dbraw/zinc/61/05/23/618610523.db2.gz VAKJYIAFYXZKFC-AEFFLSMTSA-N 1 0 320.502 3.205 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000840936599 618610615 /nfs/dbraw/zinc/61/06/15/618610615.db2.gz MBGKORSNFCWNBU-LJQANCHMSA-N 1 0 302.462 3.452 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1cnccc1C(C)(C)C ZINC000840958926 618636183 /nfs/dbraw/zinc/63/61/83/618636183.db2.gz NMPBCDCRVDZQDT-UHFFFAOYSA-N 1 0 300.402 3.383 20 10 DGCDRO c1ccc2c(c1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000154439642 618637750 /nfs/dbraw/zinc/63/77/50/618637750.db2.gz PYDYDIUAIKNVDC-UHFFFAOYSA-N 1 0 308.425 3.082 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c(O)c1OC ZINC000893684935 618638588 /nfs/dbraw/zinc/63/85/88/618638588.db2.gz IEVXLIBNQFRTAQ-HOCLYGCPSA-N 1 0 323.433 3.093 20 10 DGCDRO CO[C@H](C[NH2+]Cc1c(O)cccc1Br)CC(C)C ZINC000858179389 618700936 /nfs/dbraw/zinc/70/09/36/618700936.db2.gz MFNYJRAIRUUXIR-NSHDSACASA-N 1 0 316.239 3.305 20 10 DGCDRO COc1cc(C)cc(CNc2cccc(C[NH+](C)C)c2)c1O ZINC000894102067 618710771 /nfs/dbraw/zinc/71/07/71/618710771.db2.gz HTTNVQSQUMABQT-UHFFFAOYSA-N 1 0 300.402 3.383 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1OC ZINC000894192597 618726337 /nfs/dbraw/zinc/72/63/37/618726337.db2.gz GCMLHAWYPPLBBB-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c1O ZINC000894231149 618734816 /nfs/dbraw/zinc/73/48/16/618734816.db2.gz NZMDUWJCOXHTPV-OAHLLOKOSA-N 1 0 317.360 3.462 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1O ZINC000894251778 618740102 /nfs/dbraw/zinc/74/01/02/618740102.db2.gz ZDCIUUFLZIGXCM-CYBMUJFWSA-N 1 0 303.406 3.337 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)Oc2ccccc2)c1O ZINC000894277649 618750107 /nfs/dbraw/zinc/75/01/07/618750107.db2.gz XZEQHRWMCYDZEL-CQSZACIVSA-N 1 0 301.386 3.266 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCOCc2ccccc2)c1O ZINC000894324458 618764608 /nfs/dbraw/zinc/76/46/08/618764608.db2.gz GWKHYNRCULYGIS-UHFFFAOYSA-N 1 0 301.386 3.016 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccnnc2)cc1F ZINC000925016435 618764796 /nfs/dbraw/zinc/76/47/96/618764796.db2.gz YUCHAROPNCLANT-ZDUSSCGKSA-N 1 0 302.397 3.313 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000894366315 618772597 /nfs/dbraw/zinc/77/25/97/618772597.db2.gz LPTNLNJYJQMNLF-GDBMZVCRSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1O ZINC000895413448 618781145 /nfs/dbraw/zinc/78/11/45/618781145.db2.gz DEVQNVTWLYGOAO-OAHLLOKOSA-N 1 0 313.397 3.404 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+]CC2CSC2)ccc1N1CCCCC1 ZINC000895422432 618783195 /nfs/dbraw/zinc/78/31/95/618783195.db2.gz DFXJFXNGVYSYCL-UHFFFAOYSA-N 1 0 321.446 3.038 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC3(CCCCO3)CC2)c(O)c1 ZINC000895658887 618813577 /nfs/dbraw/zinc/81/35/77/618813577.db2.gz OTKNJMBRTOKQHD-UHFFFAOYSA-N 1 0 305.418 3.326 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H]1CCCOC1 ZINC000895665027 618814311 /nfs/dbraw/zinc/81/43/11/618814311.db2.gz WZMFCAIATWSUJE-FZMZJTMJSA-N 1 0 313.825 3.349 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC000895717485 618822169 /nfs/dbraw/zinc/82/21/69/618822169.db2.gz RICSOBYUJGGGLF-MRXNPFEDSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1ccc(C[N@H+](CCO)Cc2cc(C)c(C)cc2O)cc1 ZINC000895709688 618822331 /nfs/dbraw/zinc/82/23/31/618822331.db2.gz BKBNNXDTFMLDPX-UHFFFAOYSA-N 1 0 315.413 3.012 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cc(C3CC3)no2)c1O ZINC000895765182 618828627 /nfs/dbraw/zinc/82/86/27/618828627.db2.gz KUWIHMCNUPQZRP-UHFFFAOYSA-N 1 0 308.765 3.209 20 10 DGCDRO COc1cc2c(cc1O)CC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000895888045 618845498 /nfs/dbraw/zinc/84/54/98/618845498.db2.gz GBLLBWADRKTHBY-UHFFFAOYSA-N 1 0 319.788 3.318 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896058160 618868261 /nfs/dbraw/zinc/86/82/61/618868261.db2.gz PGLDPHSEAIQZQM-HNNXBMFYSA-N 1 0 304.434 3.004 20 10 DGCDRO Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1O ZINC000896222618 618885714 /nfs/dbraw/zinc/88/57/14/618885714.db2.gz OYLGDWRXPOGKBB-QUCCMNQESA-N 1 0 309.409 3.101 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000896279867 618896251 /nfs/dbraw/zinc/89/62/51/618896251.db2.gz JOPGALZRJPTAEC-HUUCEWRRSA-N 1 0 316.367 3.261 20 10 DGCDRO Cn1ccc([C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000896491772 618918234 /nfs/dbraw/zinc/91/82/34/618918234.db2.gz AECJHFXTCKYPHI-LBPRGKRZSA-N 1 0 305.809 3.159 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000896490727 618918421 /nfs/dbraw/zinc/91/84/21/618918421.db2.gz WFAUETVOKKGWNS-QGZVFWFLSA-N 1 0 312.461 3.174 20 10 DGCDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3ccc4ccccc4c3O)C[C@@H]2O1 ZINC000897048942 619006796 /nfs/dbraw/zinc/00/67/96/619006796.db2.gz ACQXHZQQXVLKIR-XGBSXSJOSA-N 1 0 313.397 3.318 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(C)cc3O)C2)n1 ZINC000897040859 619007077 /nfs/dbraw/zinc/00/70/77/619007077.db2.gz AVWXQGFYPGXNTO-OCCSQVGLSA-N 1 0 301.390 3.072 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cccc(CC)c3O)C2)n1 ZINC000897042001 619007488 /nfs/dbraw/zinc/00/74/88/619007488.db2.gz GGLBUAPVBBVVOK-HIFRSBDPSA-N 1 0 315.417 3.326 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@]2(c3ccccc3)CCCO2)c1 ZINC000897236915 619034385 /nfs/dbraw/zinc/03/43/85/619034385.db2.gz YURMPVZGUIUYCY-IBGZPJMESA-N 1 0 313.397 3.196 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC000897236236 619034437 /nfs/dbraw/zinc/03/44/37/619034437.db2.gz DRVUEBQFEKJZFN-GOSISDBHSA-N 1 0 301.361 3.327 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H]1C ZINC000840716844 619035244 /nfs/dbraw/zinc/03/52/44/619035244.db2.gz BWTGMDLXGUQUBC-YSSFQJQWSA-N 1 0 316.489 3.420 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)cc1Cl ZINC000897339726 619064617 /nfs/dbraw/zinc/06/46/17/619064617.db2.gz LWNWLHVEEMOPCK-AEFFLSMTSA-N 1 0 317.816 3.492 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@]2(C)CCOc3ccccc32)c1O ZINC000897386562 619101279 /nfs/dbraw/zinc/10/12/79/619101279.db2.gz YQAHLSKVMGIWBS-IBGZPJMESA-N 1 0 313.397 3.497 20 10 DGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000800479640 619139112 /nfs/dbraw/zinc/13/91/12/619139112.db2.gz HRPAEJANWPSCLE-STQMWFEESA-N 1 0 300.493 3.420 20 10 DGCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1c(C)cccc1O ZINC000897524069 619145558 /nfs/dbraw/zinc/14/55/58/619145558.db2.gz QNEGZNQQZNRGFR-CQSZACIVSA-N 1 0 305.340 3.274 20 10 DGCDRO CC[N@H+](CCC(=O)NC)Cc1cc(-c2ccccc2)ccc1O ZINC000897710523 619174552 /nfs/dbraw/zinc/17/45/52/619174552.db2.gz VMUXFMCGRLSRCG-UHFFFAOYSA-N 1 0 312.413 3.017 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1O ZINC000898068906 619211835 /nfs/dbraw/zinc/21/18/35/619211835.db2.gz ROAPRILUZFILBN-CYBMUJFWSA-N 1 0 318.442 3.230 20 10 DGCDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000898224384 619229015 /nfs/dbraw/zinc/22/90/15/619229015.db2.gz VVOOJWAUZVVMCY-DNVCBOLYSA-N 1 0 300.446 3.092 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc(Cl)ccc2F)cc1 ZINC000841044933 619247039 /nfs/dbraw/zinc/24/70/39/619247039.db2.gz GFNCVMJDOUMQSM-KRWDZBQOSA-N 1 0 321.827 3.335 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccccc1O ZINC000926925729 619249962 /nfs/dbraw/zinc/24/99/62/619249962.db2.gz KVIFPLPBEMQZKD-VXGBXAGGSA-N 1 0 302.340 3.070 20 10 DGCDRO C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(F)ccc1O ZINC000926962123 619252920 /nfs/dbraw/zinc/25/29/20/619252920.db2.gz KBTWZBKQNRCCMO-ZANVPECISA-N 1 0 308.319 3.065 20 10 DGCDRO Cc1coc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898448190 619275778 /nfs/dbraw/zinc/27/57/78/619275778.db2.gz QOMUGQLWORIHIF-GOSISDBHSA-N 1 0 301.434 3.047 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898516413 619283673 /nfs/dbraw/zinc/28/36/73/619283673.db2.gz RPCUQWVTDLNKOH-HUUCEWRRSA-N 1 0 305.418 3.039 20 10 DGCDRO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(N2CCCCC2)c(F)c1 ZINC000902472687 619638122 /nfs/dbraw/zinc/63/81/22/619638122.db2.gz FKSLCKALNMMHJX-LFVTVUPYSA-N 1 0 317.452 3.360 20 10 DGCDRO CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(C(F)(F)F)cc1O ZINC000902466827 619641969 /nfs/dbraw/zinc/64/19/69/619641969.db2.gz NJAWUNYXBFZARU-RUZUBIRVSA-N 1 0 314.351 3.345 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](c2nncn2C)C(C)C)cc1 ZINC000903063060 619708668 /nfs/dbraw/zinc/70/86/68/619708668.db2.gz YKYWJMPGAZYUNA-WMLDXEAASA-N 1 0 315.465 3.319 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](c2nncn2C)C(C)C)cc1 ZINC000903063061 619708769 /nfs/dbraw/zinc/70/87/69/619708769.db2.gz YKYWJMPGAZYUNA-YOEHRIQHSA-N 1 0 315.465 3.319 20 10 DGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)c1ccccc1O ZINC000903165993 619728509 /nfs/dbraw/zinc/72/85/09/619728509.db2.gz ZSOSDSDRQKNHDP-LLVKDONJSA-N 1 0 313.323 3.267 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](c3ccccn3)C3CC3)C2)cc1 ZINC000903200784 619735479 /nfs/dbraw/zinc/73/54/79/619735479.db2.gz UROPIIFQCOPKKH-OXJNMPFZSA-N 1 0 323.440 3.410 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000903276694 619751312 /nfs/dbraw/zinc/75/13/12/619751312.db2.gz PGJXBSGPZRPOEB-MAODMQOUSA-N 1 0 324.468 3.496 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1cc(F)ccc1O ZINC000903289714 619754806 /nfs/dbraw/zinc/75/48/06/619754806.db2.gz NAPDHLYOWOSLLT-BBRMVZONSA-N 1 0 303.377 3.176 20 10 DGCDRO C[C@H]([NH2+]C1CC(CCO)C1)c1ccc(N2CCCCC2)cc1 ZINC000903331566 619762319 /nfs/dbraw/zinc/76/23/19/619762319.db2.gz ZAHIVJHVCZAVNA-HJOIGYKYSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000903378744 619768320 /nfs/dbraw/zinc/76/83/20/619768320.db2.gz YJPYUWWVWUCLMC-IHRRRGAJSA-N 1 0 320.433 3.346 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1 ZINC000903449178 619778484 /nfs/dbraw/zinc/77/84/84/619778484.db2.gz WBJOCSGSIIRFKC-YOEHRIQHSA-N 1 0 301.434 3.299 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cncs1 ZINC000903448419 619778554 /nfs/dbraw/zinc/77/85/54/619778554.db2.gz PBCDBRIQPWCAFZ-CJNGLKHVSA-N 1 0 318.490 3.163 20 10 DGCDRO COc1ccc(O)c(CN(CC[NH3+])Cc2cccc(Cl)c2)c1 ZINC000903954997 619846494 /nfs/dbraw/zinc/84/64/94/619846494.db2.gz XVNUUEZHBQJVDM-UHFFFAOYSA-N 1 0 320.820 3.015 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1C[NH3+] ZINC000904412066 619920450 /nfs/dbraw/zinc/92/04/50/619920450.db2.gz PDSOAQPCJOPXGZ-UWVGGRQHSA-N 1 0 303.233 3.116 20 10 DGCDRO C[C@H](NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)c1ccccc1O ZINC000904604969 619936140 /nfs/dbraw/zinc/93/61/40/619936140.db2.gz OUCWZNCIQLGJKW-LBPRGKRZSA-N 1 0 313.401 3.469 20 10 DGCDRO CCOc1ccc(O)c(CN2CC[NH2+]Cc3c(C)cccc32)c1 ZINC000841089023 620253551 /nfs/dbraw/zinc/25/35/51/620253551.db2.gz GGOFXUQHMVAEOU-UHFFFAOYSA-N 1 0 312.413 3.209 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC=CCCC2)cc1 ZINC000911665522 620339707 /nfs/dbraw/zinc/33/97/07/620339707.db2.gz DCSXDBRIGHBWAB-FUHWJXTLSA-N 1 0 315.461 3.005 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC=CCCC2)cc1 ZINC000911665523 620339845 /nfs/dbraw/zinc/33/98/45/620339845.db2.gz DCSXDBRIGHBWAB-SJLPKXTDSA-N 1 0 315.461 3.005 20 10 DGCDRO COCCC[N@H+](CCOC)Cc1cc(C(C)C)c(C)cc1O ZINC000921054781 620835177 /nfs/dbraw/zinc/83/51/77/620835177.db2.gz JVYWZQJETSBGOE-UHFFFAOYSA-N 1 0 309.450 3.309 20 10 DGCDRO CC(C)OCC[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000788069341 620888598 /nfs/dbraw/zinc/88/85/98/620888598.db2.gz ZZVHTJZAZIBCME-IBGZPJMESA-N 1 0 322.493 3.139 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c(O)c1 ZINC000788074865 620893687 /nfs/dbraw/zinc/89/36/87/620893687.db2.gz FLUOGBFKLGFHQW-INIZCTEOSA-N 1 0 317.433 3.054 20 10 DGCDRO CC(C)(C)[NH+]1CCC(NCc2ccc3c(c2)CCCO3)CC1 ZINC000921563564 620908765 /nfs/dbraw/zinc/90/87/65/620908765.db2.gz NKEBXLGCMULYLW-UHFFFAOYSA-N 1 0 302.462 3.364 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cnn(C3CCC3)c2)cc1F ZINC000921623840 620917811 /nfs/dbraw/zinc/91/78/11/620917811.db2.gz NODUQNAFCJKGJQ-UHFFFAOYSA-N 1 0 302.397 3.103 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cn(C)nc2C2CCCC2)c1 ZINC000921740001 620942328 /nfs/dbraw/zinc/94/23/28/620942328.db2.gz BWDNBOYTIBLQOO-UHFFFAOYSA-N 1 0 315.417 3.082 20 10 DGCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921748449 620944037 /nfs/dbraw/zinc/94/40/37/620944037.db2.gz IBFZARYASVISAW-QGZVFWFLSA-N 1 0 309.413 3.277 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cccc3c2OCC3)n1 ZINC000921753793 620944957 /nfs/dbraw/zinc/94/49/57/620944957.db2.gz GMABYJSVYSLILB-UHFFFAOYSA-N 1 0 306.456 3.350 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c(F)c1 ZINC000921837777 620959350 /nfs/dbraw/zinc/95/93/50/620959350.db2.gz DWFXEDRBONSDQP-UHFFFAOYSA-N 1 0 301.361 3.449 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(F)cc1 ZINC000921939774 620970837 /nfs/dbraw/zinc/97/08/37/620970837.db2.gz GZJZQMAQMGEQOV-IBGZPJMESA-N 1 0 315.388 3.148 20 10 DGCDRO c1cc([C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)ccn1 ZINC000922164744 620999231 /nfs/dbraw/zinc/99/92/31/620999231.db2.gz WWMYTSWHEWBRSQ-QUCCMNQESA-N 1 0 324.424 3.417 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC[C@H]3CC3(F)F)CC2)cc1 ZINC000856802208 621023357 /nfs/dbraw/zinc/02/33/57/621023357.db2.gz DHJHCZLPIAMMDB-ZDUSSCGKSA-N 1 0 310.388 3.299 20 10 DGCDRO CCOc1cccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1O ZINC000856806133 621023915 /nfs/dbraw/zinc/02/39/15/621023915.db2.gz ATYSDHMHJZMOJF-LLVKDONJSA-N 1 0 304.217 3.464 20 10 DGCDRO CCCC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000856994431 621043093 /nfs/dbraw/zinc/04/30/93/621043093.db2.gz MUVIMUVWCFZJSF-QZTJIDSGSA-N 1 0 319.493 3.331 20 10 DGCDRO COc1ccc(F)c(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000857081167 621056749 /nfs/dbraw/zinc/05/67/49/621056749.db2.gz MMRSCFIEJJNKLV-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000922693322 621080389 /nfs/dbraw/zinc/08/03/89/621080389.db2.gz FDLYAYUKMRXCNU-TZMCWYRMSA-N 1 0 303.324 3.290 20 10 DGCDRO COc1ccc(C[NH2+]CCc2nc3c(s2)CCC3)cc1C ZINC000922717765 621088944 /nfs/dbraw/zinc/08/89/44/621088944.db2.gz LARMDHFIWJBGAI-UHFFFAOYSA-N 1 0 302.443 3.281 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCS1 ZINC000922837319 621106139 /nfs/dbraw/zinc/10/61/39/621106139.db2.gz SIFADIFUJCMQPG-ZFWWWQNUSA-N 1 0 324.465 3.036 20 10 DGCDRO COc1ccc(OC)c(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000115629301 621119121 /nfs/dbraw/zinc/11/91/21/621119121.db2.gz AYFSICHBXYCCRX-UHFFFAOYSA-N 1 0 314.429 3.368 20 10 DGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000858135610 621155620 /nfs/dbraw/zinc/15/56/20/621155620.db2.gz ZVJXWMLTVYGMCC-IINYFYTJSA-N 1 0 316.239 3.041 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000858146353 621157913 /nfs/dbraw/zinc/15/79/13/621157913.db2.gz VODFWDHHOFEWMN-CSMYWGQOSA-N 1 0 324.415 3.324 20 10 DGCDRO CCC1(O)CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858157448 621159678 /nfs/dbraw/zinc/15/96/78/621159678.db2.gz YYKJKEGYUSXVNC-UHFFFAOYSA-N 1 0 312.404 3.204 20 10 DGCDRO Cc1cccc(CCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000858162523 621160104 /nfs/dbraw/zinc/16/01/04/621160104.db2.gz DQKOFAKPUIBBJM-UHFFFAOYSA-N 1 0 319.399 3.457 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCCN2CC(F)F)cc1 ZINC000858231744 621166650 /nfs/dbraw/zinc/16/66/50/621166650.db2.gz PJQXBXKGUXNOFT-NJELEJDNSA-N 1 0 323.431 3.085 20 10 DGCDRO COC[C@H](C)Oc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000858238951 621167373 /nfs/dbraw/zinc/16/73/73/621167373.db2.gz FRVUVDDLBOCKIF-HNNXBMFYSA-N 1 0 315.413 3.404 20 10 DGCDRO Fc1cc(C[NH2+]CC[C@H]2CC=CCC2)ccc1N1CCOCC1 ZINC000858272546 621170923 /nfs/dbraw/zinc/17/09/23/621170923.db2.gz UQVZXHGHLOEBAZ-INIZCTEOSA-N 1 0 318.436 3.498 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)CC2)cc1 ZINC000858283614 621171323 /nfs/dbraw/zinc/17/13/23/621171323.db2.gz MNCQFFOSTYTKAU-YGTYGHESSA-N 1 0 318.461 3.066 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)[C@H]3CCCCO3)C2)cc1 ZINC000858428487 621189566 /nfs/dbraw/zinc/18/95/66/621189566.db2.gz URKCKEAJQOPPEP-FRQCXROJSA-N 1 0 318.461 3.069 20 10 DGCDRO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000858473888 621195549 /nfs/dbraw/zinc/19/55/49/621195549.db2.gz RLFXELRJDNFZIM-GWCFXTLKSA-N 1 0 309.793 3.266 20 10 DGCDRO CCCC[N@H+](CCOC1CCOCC1)Cc1ccccc1O ZINC000859296106 621268076 /nfs/dbraw/zinc/26/80/76/621268076.db2.gz BCJLNTYOWSBPAO-UHFFFAOYSA-N 1 0 307.434 3.190 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@H](OCC)[C@@H]1SC ZINC000839055896 621319728 /nfs/dbraw/zinc/31/97/28/621319728.db2.gz HMXIHUYZJHNQAX-IXDOHACOSA-N 1 0 308.491 3.271 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@H](OC(C)C)C3)CC2)cc1 ZINC000839147092 621333205 /nfs/dbraw/zinc/33/32/05/621333205.db2.gz CXGJPILILHOOFA-UWUNEBHHSA-N 1 0 318.461 3.210 20 10 DGCDRO Cc1cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)ccc1N(C)C ZINC000839131588 621339156 /nfs/dbraw/zinc/33/91/56/621339156.db2.gz BPLPUVLVGCIECQ-UHFFFAOYSA-N 1 0 314.477 3.453 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccc(OC)cc1)c1ccccc1O ZINC000839184893 621345065 /nfs/dbraw/zinc/34/50/65/621345065.db2.gz MGXAUILXSDWXTB-CRAIPNDOSA-N 1 0 315.413 3.218 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000839192312 621347834 /nfs/dbraw/zinc/34/78/34/621347834.db2.gz NEQHQWQHPQDITE-PKOBYXMFSA-N 1 0 319.445 3.164 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1cncs1)C[C@H]1CCCO1 ZINC000839517337 621381108 /nfs/dbraw/zinc/38/11/08/621381108.db2.gz SIHWCBNWYLVYHF-OAHLLOKOSA-N 1 0 318.442 3.072 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(C)(C)O ZINC000753552468 621447989 /nfs/dbraw/zinc/44/79/89/621447989.db2.gz CSQPWERPOATWLC-AWEZNQCLSA-N 1 0 315.413 3.220 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H](SC)C(C)(C)C)cc1OC ZINC000753571234 621449494 /nfs/dbraw/zinc/44/94/94/621449494.db2.gz TXFFONKIQGTPEY-OAHLLOKOSA-N 1 0 313.463 3.277 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@]2(C)CCO[C@@H]2C)c1O ZINC000753577380 621450423 /nfs/dbraw/zinc/45/04/23/621450423.db2.gz USAOUTTUXMMXGA-QMTHXVAHSA-N 1 0 314.223 3.120 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C(=O)CCC1(C)C ZINC000808142099 621464820 /nfs/dbraw/zinc/46/48/20/621464820.db2.gz KPJOUPNPZONPTR-UHFFFAOYSA-N 1 0 317.477 3.322 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000753966753 621475211 /nfs/dbraw/zinc/47/52/11/621475211.db2.gz ITCLFCWYIMWBAC-SFHVURJKSA-N 1 0 324.468 3.492 20 10 DGCDRO CCc1nc(CN(C)Cc2cc(C)cc(OC)c2O)cs1 ZINC000754723849 621528170 /nfs/dbraw/zinc/52/81/70/621528170.db2.gz XAAHGONOSNAIMK-UHFFFAOYSA-N 1 0 306.431 3.360 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c1O ZINC000754728019 621528559 /nfs/dbraw/zinc/52/85/59/621528559.db2.gz VDFQYPDMPJQDOJ-CQSZACIVSA-N 1 0 302.374 3.343 20 10 DGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C1(C)C ZINC000754740985 621529952 /nfs/dbraw/zinc/52/99/52/621529952.db2.gz KDUIFSRJUWFRKM-HZPDHXFCSA-N 1 0 307.434 3.345 20 10 DGCDRO C[N@H+](Cc1c(O)cccc1Br)[C@@H]1CCSC1 ZINC000862221039 621562868 /nfs/dbraw/zinc/56/28/68/621562868.db2.gz QFAOYFCEOBWHDO-SECBINFHSA-N 1 0 302.237 3.092 20 10 DGCDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)ncc1Br ZINC000862227893 621563747 /nfs/dbraw/zinc/56/37/47/621563747.db2.gz JIUBIKHWRFRTSS-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO CN(C)c1cc(F)c(C[NH+]2CCC(n3ccnc3)CC2)cc1F ZINC000862236157 621564717 /nfs/dbraw/zinc/56/47/17/621564717.db2.gz PVJSKPWHLDCTPU-UHFFFAOYSA-N 1 0 320.387 3.064 20 10 DGCDRO CCOC[C@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862245296 621566343 /nfs/dbraw/zinc/56/63/43/621566343.db2.gz MIADBYSIDGLGIF-ZDUSSCGKSA-N 1 0 312.404 3.279 20 10 DGCDRO CN(Cc1cnc(C2CC2)o1)c1ccc(OCC[NH+](C)C)cc1 ZINC000862325454 621574235 /nfs/dbraw/zinc/57/42/35/621574235.db2.gz BYCANRUZKYKCOK-UHFFFAOYSA-N 1 0 315.417 3.129 20 10 DGCDRO C[N@H+](CCc1ccccn1)Cc1c(O)cccc1Br ZINC000862324706 621574599 /nfs/dbraw/zinc/57/45/99/621574599.db2.gz SSPPWMOBOHNTEU-UHFFFAOYSA-N 1 0 321.218 3.224 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)C2CCC(CO)CC2)cc1F ZINC000862368735 621579971 /nfs/dbraw/zinc/57/99/71/621579971.db2.gz LWYDAEYPPMZBHM-UHFFFAOYSA-N 1 0 312.404 3.014 20 10 DGCDRO COC[C@@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862390316 621583691 /nfs/dbraw/zinc/58/36/91/621583691.db2.gz CEDDJAFYTGVCMK-CYBMUJFWSA-N 1 0 312.404 3.279 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@]3(C)CCCS3)C2)cc1 ZINC000862397156 621584387 /nfs/dbraw/zinc/58/43/87/621584387.db2.gz CAEJWRZJCYHMLP-QAPCUYQASA-N 1 0 320.502 3.397 20 10 DGCDRO C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC2(CCC2)O1 ZINC000862400285 621585053 /nfs/dbraw/zinc/58/50/53/621585053.db2.gz SEVXPAKEUKKXNS-LBPRGKRZSA-N 1 0 310.388 3.174 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN2CC(F)F)c1O ZINC000862469021 621593272 /nfs/dbraw/zinc/59/32/72/621593272.db2.gz WONJLKMPBBAAPT-CYBMUJFWSA-N 1 0 318.795 3.173 20 10 DGCDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000756106334 621615423 /nfs/dbraw/zinc/61/54/23/621615423.db2.gz IHMORIFFYFZLMG-UZLBHIALSA-N 1 0 315.505 3.495 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2ccc(OC)c(C)c2)CCCCC1 ZINC000756132903 621617098 /nfs/dbraw/zinc/61/70/98/621617098.db2.gz SBAJAYDFOSPWPK-UHFFFAOYSA-N 1 0 305.418 3.359 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1cc(F)ccc1O ZINC000756342769 621629315 /nfs/dbraw/zinc/62/93/15/621629315.db2.gz LDMAQFXVIHADTD-PBHICJAKSA-N 1 0 316.420 3.355 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c(O)c1C ZINC000756353467 621629995 /nfs/dbraw/zinc/62/99/95/621629995.db2.gz ZQACBUGPNHCILA-LSDHHAIUSA-N 1 0 313.397 3.500 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCCCC2=O)c(O)c1C ZINC000756369945 621632325 /nfs/dbraw/zinc/63/23/25/621632325.db2.gz DYMFPVYYPQPDSM-MRXNPFEDSA-N 1 0 318.461 3.452 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2C[C@H](C)C[C@H](C)C2)c1 ZINC000756415903 621636821 /nfs/dbraw/zinc/63/68/21/621636821.db2.gz MDOQGGONRNWQJM-QLFBSQMISA-N 1 0 306.450 3.029 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCC2)c2c1c(F)ccc2O ZINC000756433739 621638350 /nfs/dbraw/zinc/63/83/50/621638350.db2.gz YGYRENBFOGVUJQ-TZMCWYRMSA-N 1 0 320.408 3.072 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c1 ZINC000756459792 621640121 /nfs/dbraw/zinc/64/01/21/621640121.db2.gz XIRPCCALCQDVNA-KBPBESRZSA-N 1 0 313.397 3.303 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(Cl)ccc1O ZINC000756474780 621640348 /nfs/dbraw/zinc/64/03/48/621640348.db2.gz DOEGXRVXNQIIHC-GFCCVEGCSA-N 1 0 318.804 3.013 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c(O)c1C ZINC000756475897 621640892 /nfs/dbraw/zinc/64/08/92/621640892.db2.gz PKLJIUOGZCNRNE-HZPDHXFCSA-N 1 0 324.424 3.465 20 10 DGCDRO COc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000756494831 621641941 /nfs/dbraw/zinc/64/19/41/621641941.db2.gz HSZOBICTHQIPJY-GFCCVEGCSA-N 1 0 319.376 3.442 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c(O)c1C ZINC000756503401 621643108 /nfs/dbraw/zinc/64/31/08/621643108.db2.gz NIAHEUICACEJGB-QWHCGFSZSA-N 1 0 316.367 3.296 20 10 DGCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756513614 621643864 /nfs/dbraw/zinc/64/38/64/621643864.db2.gz OQNGAEBPJKOKAZ-YMTOWFKASA-N 1 0 303.381 3.220 20 10 DGCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756513611 621643920 /nfs/dbraw/zinc/64/39/20/621643920.db2.gz OQNGAEBPJKOKAZ-LKFCYVNXSA-N 1 0 303.381 3.220 20 10 DGCDRO CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756535930 621645916 /nfs/dbraw/zinc/64/59/16/621645916.db2.gz SQMMYUUYGYOKQZ-CYBMUJFWSA-N 1 0 321.421 3.073 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c(O)c1 ZINC000756538658 621645957 /nfs/dbraw/zinc/64/59/57/621645957.db2.gz DPKNOQIXCNCTDD-LLVKDONJSA-N 1 0 313.323 3.310 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)c2c1c(F)ccc2O ZINC000756547331 621647111 /nfs/dbraw/zinc/64/71/11/621647111.db2.gz AVSUZJJKXFHLLN-XHDPSFHLSA-N 1 0 301.361 3.362 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000756552460 621647210 /nfs/dbraw/zinc/64/72/10/621647210.db2.gz MGIJRFOAYIGCQI-QLFBSQMISA-N 1 0 306.450 3.314 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC3CC3)C2)c2c1c(F)ccc2O ZINC000756554293 621647978 /nfs/dbraw/zinc/64/79/78/621647978.db2.gz ORSBCTBJVGACRU-UXIGCNINSA-N 1 0 304.409 3.154 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000756556916 621648345 /nfs/dbraw/zinc/64/83/45/621648345.db2.gz XROPAQCIIFPGCY-KDOFPFPSSA-N 1 0 314.473 3.406 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cc(F)ccc1O ZINC000756561606 621649197 /nfs/dbraw/zinc/64/91/97/621649197.db2.gz FQOAMSYGNNAMGC-DJJJIMSYSA-N 1 0 315.388 3.406 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCOc2cccnc2)c2c1c(F)ccc2O ZINC000756570949 621650160 /nfs/dbraw/zinc/65/01/60/621650160.db2.gz GWJSSXYAOHXGCL-BXUZGUMPSA-N 1 0 302.349 3.143 20 10 DGCDRO C[C@H]([NH2+]CCOc1cccnc1)c1cc2c(cc1O)CCCC2 ZINC000756571656 621650190 /nfs/dbraw/zinc/65/01/90/621650190.db2.gz IGIMTHRBOAUGDA-AWEZNQCLSA-N 1 0 312.413 3.396 20 10 DGCDRO C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756592789 621651573 /nfs/dbraw/zinc/65/15/73/621651573.db2.gz VLQDOAIAPVBUAT-MLGOLLRUSA-N 1 0 323.437 3.317 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccsc2)c2c1c(F)ccc2O ZINC000756592056 621651742 /nfs/dbraw/zinc/65/17/42/621651742.db2.gz IHKNTTLZWRIHSS-LQJRIPTKSA-N 1 0 307.390 3.464 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccsc2)c2c1c(F)ccc2O ZINC000756592051 621651827 /nfs/dbraw/zinc/65/18/27/621651827.db2.gz IHKNTTLZWRIHSS-IUPBHXKESA-N 1 0 307.390 3.464 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(C)C ZINC000756598752 621652313 /nfs/dbraw/zinc/65/23/13/621652313.db2.gz WSVJRCYYNPFKJE-GWCFXTLKSA-N 1 0 316.239 3.476 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCCOC[C@H]2CCOC2)c2c1c(F)ccc2O ZINC000756607145 621652734 /nfs/dbraw/zinc/65/27/34/621652734.db2.gz ZJDNFGTUBQUOTL-NFAWXSAZSA-N 1 0 323.408 3.112 20 10 DGCDRO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1cc(Cl)ccc1O ZINC000756638018 621654468 /nfs/dbraw/zinc/65/44/68/621654468.db2.gz QHENLTXGQUJKMZ-SECBINFHSA-N 1 0 311.838 3.419 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(SC)c2)c1 ZINC000756664794 621657079 /nfs/dbraw/zinc/65/70/79/621657079.db2.gz PZKSHABOXKQRDM-LLVKDONJSA-N 1 0 304.415 3.369 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(SC)c2)c1 ZINC000756664795 621657272 /nfs/dbraw/zinc/65/72/72/621657272.db2.gz PZKSHABOXKQRDM-NSHDSACASA-N 1 0 304.415 3.369 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccco2)c2c1c(F)ccc2O ZINC000756659292 621657299 /nfs/dbraw/zinc/65/72/99/621657299.db2.gz CQHLPTKZDZUUQW-LALPHHSUSA-N 1 0 319.376 3.113 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)c(O)c1C ZINC000756660723 621657345 /nfs/dbraw/zinc/65/73/45/621657345.db2.gz ORAUSAWRCQRFOA-HUUCEWRRSA-N 1 0 303.402 3.104 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c(O)c1 ZINC000756708633 621659460 /nfs/dbraw/zinc/65/94/60/621659460.db2.gz TVKJYOURVUNSLW-CQSZACIVSA-N 1 0 320.433 3.361 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000756708075 621659719 /nfs/dbraw/zinc/65/97/19/621659719.db2.gz MMTXIWYJQSJXSF-ZDUSSCGKSA-N 1 0 316.357 3.338 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c(O)c1 ZINC000756741980 621661967 /nfs/dbraw/zinc/66/19/67/621661967.db2.gz ZJMHBJHTSLYUFN-BDJLRTHQSA-N 1 0 307.340 3.363 20 10 DGCDRO C[C@H]([NH2+]CC1(CCO)CCC1)c1cc2c(cc1O)CCCC2 ZINC000756763842 621662662 /nfs/dbraw/zinc/66/26/62/621662662.db2.gz AAABXBUWKYYQIJ-AWEZNQCLSA-N 1 0 303.446 3.474 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCCN2C(C)C)c1 ZINC000756763125 621662667 /nfs/dbraw/zinc/66/26/67/621662667.db2.gz YZRYWCLGIPQEHA-HUUCEWRRSA-N 1 0 306.450 3.314 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC[C@H]2CCCC[C@@H]2O)c1 ZINC000756762205 621662724 /nfs/dbraw/zinc/66/27/24/621662724.db2.gz WOFLTMWNVILBSH-VBQJREDUSA-N 1 0 307.434 3.383 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)c2c1c(F)ccc2O ZINC000756761897 621662805 /nfs/dbraw/zinc/66/28/05/621662805.db2.gz NBMPYOQBMSOOOJ-ICCXJUOJSA-N 1 0 301.365 3.470 20 10 DGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)C2 ZINC000756774963 621663859 /nfs/dbraw/zinc/66/38/59/621663859.db2.gz MYWPOXDSPDBRFV-DZGCQCFKSA-N 1 0 313.397 3.364 20 10 DGCDRO C[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(F)cc(F)c1O ZINC000756868468 621669121 /nfs/dbraw/zinc/66/91/21/621669121.db2.gz UODGGHZFYZZVDN-JTQLQIEISA-N 1 0 316.311 3.424 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)ncn1 ZINC000756991451 621677833 /nfs/dbraw/zinc/67/78/33/621677833.db2.gz SJQOSUQUQKVKFM-UHFFFAOYSA-N 1 0 305.381 3.447 20 10 DGCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000839563181 621697153 /nfs/dbraw/zinc/69/71/53/621697153.db2.gz HORGDPMMTQPTFG-LBPRGKRZSA-N 1 0 318.442 3.452 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@H]2CCCS2)cc1F ZINC000864052304 621732020 /nfs/dbraw/zinc/73/20/20/621732020.db2.gz HHMIRGCWZYWWLK-LBPRGKRZSA-N 1 0 300.418 3.406 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c(O)c1C ZINC000757660854 621732112 /nfs/dbraw/zinc/73/21/12/621732112.db2.gz JWEPTNRIYQTPRD-AWEZNQCLSA-N 1 0 324.424 3.146 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c(O)c1 ZINC000757864679 621743759 /nfs/dbraw/zinc/74/37/59/621743759.db2.gz BTCHDWOVSPWHEI-DOTOQJQBSA-N 1 0 307.434 3.020 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC000758488367 621784762 /nfs/dbraw/zinc/78/47/62/621784762.db2.gz OBYXUXSXXRXBFL-UHFFFAOYSA-N 1 0 306.356 3.329 20 10 DGCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000759143297 621829241 /nfs/dbraw/zinc/82/92/41/621829241.db2.gz FRQFZPGOZCFDKH-OAHLLOKOSA-N 1 0 300.402 3.187 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C[C@H]1n1ccnc1 ZINC000759156651 621830341 /nfs/dbraw/zinc/83/03/41/621830341.db2.gz HJDKUIGLUGDTQF-KBXCAEBGSA-N 1 0 322.412 3.220 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c(O)c1 ZINC000865762313 621990502 /nfs/dbraw/zinc/99/05/02/621990502.db2.gz NOCMNHYKKIKNAG-CRAIPNDOSA-N 1 0 305.418 3.086 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000865762110 621990692 /nfs/dbraw/zinc/99/06/92/621990692.db2.gz LOYOUPYKIRHCIA-KSSFIOAISA-N 1 0 305.418 3.086 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1O ZINC000761195878 621993067 /nfs/dbraw/zinc/99/30/67/621993067.db2.gz QIKCJRNHEDFSJU-NXEZZACHSA-N 1 0 301.839 3.380 20 10 DGCDRO CC[C@@H]1C[C@@H](CN(C)c2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000761222683 621995749 /nfs/dbraw/zinc/99/57/49/621995749.db2.gz LHTFZXZEVSESIV-FUHWJXTLSA-N 1 0 320.477 3.268 20 10 DGCDRO CCOc1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c(O)c1 ZINC000865857334 622009609 /nfs/dbraw/zinc/00/96/09/622009609.db2.gz REIMTQWPMVFGPK-QGZVFWFLSA-N 1 0 305.418 3.372 20 10 DGCDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000866414344 622113598 /nfs/dbraw/zinc/11/35/98/622113598.db2.gz DYTKNPWDZDOYRX-JQWIXIFHSA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc1 ZINC000121044819 622114816 /nfs/dbraw/zinc/11/48/16/622114816.db2.gz MPTHIIFUJGKZRW-SFHVURJKSA-N 1 0 312.413 3.277 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)[C@H](O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866463918 622122370 /nfs/dbraw/zinc/12/23/70/622122370.db2.gz QGKVOQONCOGANG-VHRDEZTHSA-N 1 0 311.731 3.398 20 10 DGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H](O)C(F)(F)F ZINC000866464886 622122660 /nfs/dbraw/zinc/12/26/60/622122660.db2.gz ZNXUCUVPNTXGDC-HJIKLVIJSA-N 1 0 309.303 3.130 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC000866478233 622124317 /nfs/dbraw/zinc/12/43/17/622124317.db2.gz IGKDWANITFSGSR-CQSZACIVSA-N 1 0 318.392 3.415 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(C)cc1O ZINC000866533371 622133498 /nfs/dbraw/zinc/13/34/98/622133498.db2.gz QKYVBZCSASDQTQ-RDJZCZTQSA-N 1 0 319.445 3.327 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCc2nc(C)no2)cc1 ZINC000763480765 622147704 /nfs/dbraw/zinc/14/77/04/622147704.db2.gz MDEAYLZOWSQAHO-UHFFFAOYSA-N 1 0 316.449 3.289 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C[C@@H]1n1ccnc1 ZINC000121624919 622167619 /nfs/dbraw/zinc/16/76/19/622167619.db2.gz ZRJPDYFRFXXKFM-KDOFPFPSSA-N 1 0 311.429 3.161 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000764755084 622217434 /nfs/dbraw/zinc/21/74/34/622217434.db2.gz NCWGQUBDJYFNRP-QGZVFWFLSA-N 1 0 323.484 3.462 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000765248651 622253936 /nfs/dbraw/zinc/25/39/36/622253936.db2.gz AIKSKBNOPUSBRS-QFBILLFUSA-N 1 0 318.461 3.133 20 10 DGCDRO C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765905636 622293325 /nfs/dbraw/zinc/29/33/25/622293325.db2.gz AUZWCLNAMRGQLD-OYHNWAKOSA-N 1 0 316.470 3.211 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000766225475 622313653 /nfs/dbraw/zinc/31/36/53/622313653.db2.gz QQKDLZHHGPHUDH-UHFFFAOYSA-N 1 0 315.694 3.052 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCn2ccnc2C)cc1 ZINC000766240047 622314346 /nfs/dbraw/zinc/31/43/46/622314346.db2.gz ULCUYWUONYNCFM-UHFFFAOYSA-N 1 0 300.450 3.170 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000766435914 622329681 /nfs/dbraw/zinc/32/96/81/622329681.db2.gz CPSSGRNPTBGDQX-HNNXBMFYSA-N 1 0 317.477 3.194 20 10 DGCDRO C[C@H](Cc1ccoc1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000766541762 622338033 /nfs/dbraw/zinc/33/80/33/622338033.db2.gz VDFVSKGANPVSMG-HZPDHXFCSA-N 1 0 314.429 3.398 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1F ZINC000767729862 622419035 /nfs/dbraw/zinc/41/90/35/622419035.db2.gz WJTGXVIBWZHPNI-INIZCTEOSA-N 1 0 314.404 3.244 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1O ZINC000767728815 622419202 /nfs/dbraw/zinc/41/92/02/622419202.db2.gz SYFZIBSGOJIQLI-INIZCTEOSA-N 1 0 313.397 3.144 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1F ZINC000767729863 622419233 /nfs/dbraw/zinc/41/92/33/622419233.db2.gz WJTGXVIBWZHPNI-MRXNPFEDSA-N 1 0 314.404 3.244 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)c1 ZINC000789778164 625565803 /nfs/dbraw/zinc/56/58/03/625565803.db2.gz FUDXGDUDNBIKBY-OALUTQOASA-N 1 0 315.413 3.249 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc(F)cc3C)CC2)cc1 ZINC000768140477 622441375 /nfs/dbraw/zinc/44/13/75/622441375.db2.gz PUOSNSKUDVAORO-UHFFFAOYSA-N 1 0 314.404 3.465 20 10 DGCDRO COc1ccc(CN(C)Cc2c(O)cccc2OC)c(OC)c1 ZINC000768169442 622443259 /nfs/dbraw/zinc/44/32/59/622443259.db2.gz UVKLQLPTDNRMNT-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1COc2ccccc2O1 ZINC000768182208 622443625 /nfs/dbraw/zinc/44/36/25/622443625.db2.gz WTXBTSRMXLORMC-CQSZACIVSA-N 1 0 319.788 3.317 20 10 DGCDRO CC1CC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000768226003 622446271 /nfs/dbraw/zinc/44/62/71/622446271.db2.gz XPTBWPYWRIPDLK-NRAUKZCXSA-N 1 0 308.853 3.398 20 10 DGCDRO CCOc1ccc(O)c(CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000768240733 622447214 /nfs/dbraw/zinc/44/72/14/622447214.db2.gz DHIYRJFZMASNGP-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768320250 622450124 /nfs/dbraw/zinc/45/01/24/622450124.db2.gz RRSDGSOVWOQJKW-KRWDZBQOSA-N 1 0 306.425 3.283 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1OC ZINC000768438629 622455665 /nfs/dbraw/zinc/45/56/65/622455665.db2.gz DAVAPBXOZOWYTN-CYBMUJFWSA-N 1 0 318.373 3.043 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccc1)[C@H](O)CO2 ZINC000768441432 622456049 /nfs/dbraw/zinc/45/60/49/622456049.db2.gz LNUKAKRRNSFNSB-FUHWJXTLSA-N 1 0 311.381 3.155 20 10 DGCDRO CC(C)(C)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768444475 622456101 /nfs/dbraw/zinc/45/61/01/622456101.db2.gz BQDGITDGYQYVPN-MRXNPFEDSA-N 1 0 305.418 3.076 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1OC ZINC000768443848 622456116 /nfs/dbraw/zinc/45/61/16/622456116.db2.gz VEJQRPGWTHXWPJ-HNNXBMFYSA-N 1 0 314.385 3.142 20 10 DGCDRO CC(C)[N@H+](Cc1cccs1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442581 622456292 /nfs/dbraw/zinc/45/62/92/622456292.db2.gz MBKHAUQWXQQPIZ-INIZCTEOSA-N 1 0 319.426 3.290 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCCCC1)[C@@H](O)CO2 ZINC000768442519 622456328 /nfs/dbraw/zinc/45/63/28/622456328.db2.gz KWXKAVIJKKJURL-WMZOPIPTSA-N 1 0 317.429 3.363 20 10 DGCDRO COCCC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769139615 622501009 /nfs/dbraw/zinc/50/10/09/622501009.db2.gz MBFBSCWAVGNAAK-UHFFFAOYSA-N 1 0 321.421 3.053 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)cc1F ZINC000769191804 622507011 /nfs/dbraw/zinc/50/70/11/622507011.db2.gz MKGYXEQCHRAGGL-UHFFFAOYSA-N 1 0 314.404 3.198 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)CCCC[NH+]1CCCC1 ZINC000769291047 622514253 /nfs/dbraw/zinc/51/42/53/622514253.db2.gz LXGIPQFSSAOPRK-UHFFFAOYSA-N 1 0 318.461 3.397 20 10 DGCDRO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000769326398 622518116 /nfs/dbraw/zinc/51/81/16/622518116.db2.gz LJDKOGMGHNNAFR-LJQANCHMSA-N 1 0 301.478 3.201 20 10 DGCDRO COC(=O)C1([N@H+](C)Cc2cc(Cl)ccc2O)CCCCC1 ZINC000769401795 622524610 /nfs/dbraw/zinc/52/46/10/622524610.db2.gz PSBMLNOGSVMZDV-UHFFFAOYSA-N 1 0 311.809 3.353 20 10 DGCDRO COc1cccc(O)c1CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000769421601 622526484 /nfs/dbraw/zinc/52/64/84/622526484.db2.gz CYEFXPAIAVIFIQ-UHFFFAOYSA-N 1 0 318.461 3.097 20 10 DGCDRO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000769423852 622526539 /nfs/dbraw/zinc/52/65/39/622526539.db2.gz IBOKQAVLIHJZQB-NSHDSACASA-N 1 0 315.344 3.379 20 10 DGCDRO COc1cc(Br)cc(C[N@H+]2CC=C(C)CC2)c1O ZINC000769447637 622528508 /nfs/dbraw/zinc/52/85/08/622528508.db2.gz UPKUMGURXAJBNJ-UHFFFAOYSA-N 1 0 312.207 3.315 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)c(O)c1 ZINC000769447618 622528577 /nfs/dbraw/zinc/52/85/77/622528577.db2.gz YVGOBFDTGBMLSJ-UHFFFAOYSA-N 1 0 305.418 3.184 20 10 DGCDRO CCCN(CCC)c1ccc(CN2CCO[C@@H](COC)C2)cc1 ZINC000769461210 622529682 /nfs/dbraw/zinc/52/96/82/622529682.db2.gz RDFRGTZWLCHMCH-LJQANCHMSA-N 1 0 320.477 3.160 20 10 DGCDRO CC[N@@H+](Cc1c(O)cccc1OC)C[C@H](O)c1ccc(C)cc1 ZINC000769481490 622532451 /nfs/dbraw/zinc/53/24/51/622532451.db2.gz BGRSIPXULSFAFA-SFHVURJKSA-N 1 0 315.413 3.265 20 10 DGCDRO CCOc1ccc(C[NH+]2CCN(c3cccs3)CC2)c(O)c1 ZINC000769504210 622534822 /nfs/dbraw/zinc/53/48/22/622534822.db2.gz PRCASCHCTJFORF-UHFFFAOYSA-N 1 0 318.442 3.175 20 10 DGCDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c(O)c1 ZINC000769537642 622538980 /nfs/dbraw/zinc/53/89/80/622538980.db2.gz NQBAWICBCQPFKQ-MRXNPFEDSA-N 1 0 315.417 3.034 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000769536748 622539043 /nfs/dbraw/zinc/53/90/43/622539043.db2.gz DUPNRJIPUQULSP-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO CC[NH+](CC)[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871202255 622566451 /nfs/dbraw/zinc/56/64/51/622566451.db2.gz BHWSYESQGGFXRL-LJQANCHMSA-N 1 0 324.424 3.318 20 10 DGCDRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1O ZINC000770504549 622640443 /nfs/dbraw/zinc/64/04/43/622640443.db2.gz IZLISEHPMQFEJR-UONOGXRCSA-N 1 0 320.433 3.127 20 10 DGCDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000123838128 622720455 /nfs/dbraw/zinc/72/04/55/622720455.db2.gz NAWMRFNJJSVTBH-KSSFIOAISA-N 1 0 308.441 3.484 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(N(C)C)cc1 ZINC000123894738 622747778 /nfs/dbraw/zinc/74/77/78/622747778.db2.gz QZRRAOBLIYCMKJ-YOEHRIQHSA-N 1 0 301.434 3.299 20 10 DGCDRO CSc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)ccn1 ZINC000771894412 622812082 /nfs/dbraw/zinc/81/20/82/622812082.db2.gz JIDPZEIOBYHPLQ-UHFFFAOYSA-N 1 0 305.422 3.298 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2=O)c2c1c(F)ccc2O ZINC000872113216 622814920 /nfs/dbraw/zinc/81/49/20/622814920.db2.gz NNTFIDJNPVIRCA-WZRBSPASSA-N 1 0 307.365 3.013 20 10 DGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126984 622822661 /nfs/dbraw/zinc/82/26/61/622822661.db2.gz QQAGPSZETZRFDS-ZHALLVOQSA-N 1 0 311.425 3.427 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000872127201 622823031 /nfs/dbraw/zinc/82/30/31/622823031.db2.gz YHXGIGUSBXVCEI-DZKIICNBSA-N 1 0 306.425 3.238 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC1CCCCC1 ZINC000772798101 622941362 /nfs/dbraw/zinc/94/13/62/622941362.db2.gz OEQLWEPCEDZMCV-OAHLLOKOSA-N 1 0 318.461 3.442 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772979834 622960295 /nfs/dbraw/zinc/96/02/95/622960295.db2.gz XABGCZXBIISTJB-ZFWWWQNUSA-N 1 0 306.425 3.359 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000872721927 622960866 /nfs/dbraw/zinc/96/08/66/622960866.db2.gz PMMLCVCSVLXDTH-UONOGXRCSA-N 1 0 300.427 3.125 20 10 DGCDRO CCCCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773014883 622967305 /nfs/dbraw/zinc/96/73/05/622967305.db2.gz MNPOLYWJPCGECR-INIZCTEOSA-N 1 0 319.493 3.442 20 10 DGCDRO C[C@H](CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)[S@](C)=O ZINC000773063370 622975859 /nfs/dbraw/zinc/97/58/59/622975859.db2.gz IIENSVAOXGTEDV-VVBPWWLESA-N 1 0 322.518 3.485 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873049914 623025383 /nfs/dbraw/zinc/02/53/83/623025383.db2.gz IGUFTIUPKXQJMF-UHFFFAOYSA-N 1 0 316.357 3.216 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCCCC(=O)OC(C)(C)C)cc1 ZINC000773427423 623025540 /nfs/dbraw/zinc/02/55/40/623025540.db2.gz LKOBZOJDRAHAFL-UHFFFAOYSA-N 1 0 306.450 3.354 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCCCC(=O)OC(C)(C)C)cc1F ZINC000773428403 623025589 /nfs/dbraw/zinc/02/55/89/623025589.db2.gz PCFJRPXGNONGGQ-UHFFFAOYSA-N 1 0 324.440 3.493 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1C ZINC000873134623 623044691 /nfs/dbraw/zinc/04/46/91/623044691.db2.gz SACSGGOXHATDAP-IBGZPJMESA-N 1 0 321.461 3.051 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H]2CC2(F)F)cc1Cn1cccn1 ZINC000873139379 623047391 /nfs/dbraw/zinc/04/73/91/623047391.db2.gz AMJBPVZEEBUDSN-HNNXBMFYSA-N 1 0 321.371 3.075 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1Cn1cccn1 ZINC000873146960 623049806 /nfs/dbraw/zinc/04/98/06/623049806.db2.gz QBSCKBHOHOAJEP-SFHVURJKSA-N 1 0 311.429 3.362 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1 ZINC000873155691 623054527 /nfs/dbraw/zinc/05/45/27/623054527.db2.gz OVXBJGZPENKMRU-UESRRLJLSA-N 1 0 300.446 3.313 20 10 DGCDRO CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753298 623067507 /nfs/dbraw/zinc/06/75/07/623067507.db2.gz FPKRKPBNANIQNY-GOSISDBHSA-N 1 0 303.494 3.306 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)[C@H](O)c2ccccc2)c1 ZINC000873193198 623069144 /nfs/dbraw/zinc/06/91/44/623069144.db2.gz JSOVLRVBOFUYRJ-IEBWSBKVSA-N 1 0 315.413 3.393 20 10 DGCDRO CCN(C)c1ccc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc1 ZINC000773810859 623074024 /nfs/dbraw/zinc/07/40/24/623074024.db2.gz CEEZGXOAADTIGD-UHFFFAOYSA-N 1 0 319.493 3.173 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@H](CCO)c2cccs2)cc1 ZINC000773842239 623078752 /nfs/dbraw/zinc/07/87/52/623078752.db2.gz ZBAPMAYNCONOOU-INIZCTEOSA-N 1 0 304.459 3.418 20 10 DGCDRO CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000873224216 623081178 /nfs/dbraw/zinc/08/11/78/623081178.db2.gz XPNYHIIOEZVVGW-MRXNPFEDSA-N 1 0 314.832 3.382 20 10 DGCDRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774480467 623151450 /nfs/dbraw/zinc/15/14/50/623151450.db2.gz CCYIKESFWSLIGM-ZIAGYGMSSA-N 1 0 305.466 3.097 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000774654797 623171905 /nfs/dbraw/zinc/17/19/05/623171905.db2.gz YTGFGZJPNUUVTR-UHFFFAOYSA-N 1 0 312.413 3.333 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCc1cnccn1 ZINC000774832180 623197209 /nfs/dbraw/zinc/19/72/09/623197209.db2.gz JZEDQQHHPVOWME-UHFFFAOYSA-N 1 0 305.381 3.182 20 10 DGCDRO COc1c([O-])c(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836642 623197284 /nfs/dbraw/zinc/19/72/84/623197284.db2.gz UDDUOTWLWUGDRA-DGCLKSJQSA-N 1 0 308.378 3.320 20 10 DGCDRO Cc1cc(C[N@H+](C)CC(=O)N2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000873984463 623227420 /nfs/dbraw/zinc/22/74/20/623227420.db2.gz BQDFGPHJSAPGCX-UHFFFAOYSA-N 1 0 318.461 3.052 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000775143846 623234662 /nfs/dbraw/zinc/23/46/62/623234662.db2.gz CDRXSVDZGRJDNT-ZANVPECISA-N 1 0 323.742 3.181 20 10 DGCDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775190223 623240467 /nfs/dbraw/zinc/24/04/67/623240467.db2.gz NXQJKPFWKDJBSJ-LLVKDONJSA-N 1 0 323.799 3.298 20 10 DGCDRO COC(=O)CCC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000124924963 623257049 /nfs/dbraw/zinc/25/70/49/623257049.db2.gz KBSZHUYNQUOTIG-UHFFFAOYSA-N 1 0 311.809 3.211 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3nsnc32)c1 ZINC000775370416 623261170 /nfs/dbraw/zinc/26/11/70/623261170.db2.gz VCXUJNFBLBTRCC-SNVBAGLBSA-N 1 0 315.398 3.256 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)nc3ccccn32)c1 ZINC000775373071 623261344 /nfs/dbraw/zinc/26/13/44/623261344.db2.gz LXEOLOOTFVARAL-GFCCVEGCSA-N 1 0 311.385 3.208 20 10 DGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(OCC)cc1O)C(C)C ZINC000775373950 623261473 /nfs/dbraw/zinc/26/14/73/623261473.db2.gz FNIZOZGLLOJZJD-SFHVURJKSA-N 1 0 323.433 3.248 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccccc1O ZINC000775488051 623279668 /nfs/dbraw/zinc/27/96/68/623279668.db2.gz GJYJDLJYWWVAMK-CRAIPNDOSA-N 1 0 317.404 3.423 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1cc(Cl)ccc1O ZINC000775491292 623279906 /nfs/dbraw/zinc/27/99/06/623279906.db2.gz HQHFFXBCJOBNRS-RISCZKNCSA-N 1 0 310.825 3.097 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1O ZINC000775504317 623281496 /nfs/dbraw/zinc/28/14/96/623281496.db2.gz XKDWXNWWDHYGRK-FUHWJXTLSA-N 1 0 318.461 3.076 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Cl)ccc1O ZINC000775522394 623284310 /nfs/dbraw/zinc/28/43/10/623284310.db2.gz OIQKZZAUSSJHST-JSGCOSHPSA-N 1 0 305.809 3.367 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)c1ccccc1O ZINC000775525835 623285025 /nfs/dbraw/zinc/28/50/25/623285025.db2.gz ODVWRKWAOUPCAZ-RHSMWYFYSA-N 1 0 313.397 3.445 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1O ZINC000775674445 623311027 /nfs/dbraw/zinc/31/10/27/623311027.db2.gz BNIUGWOYWNFKPY-HNNXBMFYSA-N 1 0 305.809 3.388 20 10 DGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)o1 ZINC000775672859 623311571 /nfs/dbraw/zinc/31/15/71/623311571.db2.gz PHBSOKYFNNSUOO-GFCCVEGCSA-N 1 0 321.808 3.425 20 10 DGCDRO Cc1cc(Br)cc(C[N@H+]2CCSC[C@H]2C)c1O ZINC000775696401 623316231 /nfs/dbraw/zinc/31/62/31/623316231.db2.gz KIWAAILOASVBNT-SNVBAGLBSA-N 1 0 316.264 3.400 20 10 DGCDRO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc(F)c3[O-])CC[C@@H]21 ZINC000775742536 623323050 /nfs/dbraw/zinc/32/30/50/623323050.db2.gz UUFGYCYROOJSLP-ABAIWWIYSA-N 1 0 312.816 3.101 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]2C(C)C)c1O ZINC000775765773 623328045 /nfs/dbraw/zinc/32/80/45/623328045.db2.gz RFPCIXYWHJZALY-GFCCVEGCSA-N 1 0 314.223 3.394 20 10 DGCDRO Cc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775835467 623339736 /nfs/dbraw/zinc/33/97/36/623339736.db2.gz ZINKVCVPVNHFOS-OAHLLOKOSA-N 1 0 311.429 3.350 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000775838398 623340605 /nfs/dbraw/zinc/34/06/05/623340605.db2.gz YEIXMIUVVOYVPY-XIKOKIGWSA-N 1 0 320.383 3.415 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC(C)(C)c2ccccc2)cc1OC ZINC000775978459 623359377 /nfs/dbraw/zinc/35/93/77/623359377.db2.gz ZIGJXRIIYYTMMA-UHFFFAOYSA-N 1 0 315.413 3.477 20 10 DGCDRO COc1cccc(CC[NH2+]Cc2c(O)cccc2Cl)c1OC ZINC000776024817 623366661 /nfs/dbraw/zinc/36/66/61/623366661.db2.gz XITJRIOHBUPQMH-UHFFFAOYSA-N 1 0 321.804 3.395 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@](C)(CO)c2ccccc2)c1O ZINC000776176097 623391118 /nfs/dbraw/zinc/39/11/18/623391118.db2.gz XXTVZTVTRGAQEI-KRWDZBQOSA-N 1 0 305.805 3.351 20 10 DGCDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCC1 ZINC000776256704 623402505 /nfs/dbraw/zinc/40/25/05/623402505.db2.gz GJFJNXIVHQADLA-CQSZACIVSA-N 1 0 308.441 3.170 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1C ZINC000776291358 623407707 /nfs/dbraw/zinc/40/77/07/623407707.db2.gz BQKRVJQJWLKGFX-LJQANCHMSA-N 1 0 311.425 3.453 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000777573705 623543356 /nfs/dbraw/zinc/54/33/56/623543356.db2.gz CMFLFYYEFLDBCF-UHFFFAOYSA-N 1 0 307.340 3.137 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c1 ZINC000790485069 625660695 /nfs/dbraw/zinc/66/06/95/625660695.db2.gz IIKQOFIHOMOUDZ-QGZVFWFLSA-N 1 0 306.450 3.001 20 10 DGCDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000790486107 625660741 /nfs/dbraw/zinc/66/07/41/625660741.db2.gz LFHZEFAGEIWCTL-NVXWUHKLSA-N 1 0 311.429 3.171 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3c(cc[nH]c3=O)o2)cc1 ZINC000876511977 623630828 /nfs/dbraw/zinc/63/08/28/623630828.db2.gz XQWKZVZWKLKUII-UHFFFAOYSA-N 1 0 311.385 3.231 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2c(C)cccc2O)c(OC)c1 ZINC000876534280 623636389 /nfs/dbraw/zinc/63/63/89/623636389.db2.gz AYNMCYPPVBVNMS-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CCC[N@H+](Cc1c2c(nn1C)CCCC2)Cc1ccccc1O ZINC000876655315 623671168 /nfs/dbraw/zinc/67/11/68/623671168.db2.gz ZEYPVTKOGKJHAJ-UHFFFAOYSA-N 1 0 313.445 3.417 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(O)c1 ZINC000876659011 623673515 /nfs/dbraw/zinc/67/35/15/623673515.db2.gz LHQMFKDRNBSQKQ-OAHLLOKOSA-N 1 0 318.461 3.073 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](C)Cc1cc(Br)cn1C ZINC000876807368 623710600 /nfs/dbraw/zinc/71/06/00/623710600.db2.gz CHZJCYABIMHITB-UHFFFAOYSA-N 1 0 323.234 3.434 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000876809185 623712191 /nfs/dbraw/zinc/71/21/91/623712191.db2.gz XEOYFNXIRGUXIR-RDJZCZTQSA-N 1 0 301.386 3.382 20 10 DGCDRO CCOC(=O)CCC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779024324 623721942 /nfs/dbraw/zinc/72/19/42/623721942.db2.gz DIGMMBPDDJYGDW-UHFFFAOYSA-N 1 0 309.381 3.087 20 10 DGCDRO Cc1cccc(C2(O)CC[NH+](Cc3ccccc3O)CC2)c1C ZINC000779022835 623722196 /nfs/dbraw/zinc/72/21/96/623722196.db2.gz IMRLWGYXRKMOJA-UHFFFAOYSA-N 1 0 311.425 3.493 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(C)(C)O)c1O ZINC000779041644 623724178 /nfs/dbraw/zinc/72/41/78/623724178.db2.gz WRWPPQMPAGQTME-NXEZZACHSA-N 1 0 316.239 3.273 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc2ccccc2c1O ZINC000779061703 623725907 /nfs/dbraw/zinc/72/59/07/623725907.db2.gz MKQKFBRFEWURGK-UKRRQHHQSA-N 1 0 307.397 3.408 20 10 DGCDRO COc1cccc([C@H](C[NH2+]Cc2ccc(C)cc2O)N(C)C)c1 ZINC000876886032 623735968 /nfs/dbraw/zinc/73/59/68/623735968.db2.gz SYQJEPPWJGDINI-SFHVURJKSA-N 1 0 314.429 3.102 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000876887587 623736156 /nfs/dbraw/zinc/73/61/56/623736156.db2.gz BHPIELGYUXGCEL-MRXNPFEDSA-N 1 0 300.402 3.220 20 10 DGCDRO COc1cccc([C@@H](C[NH2+]Cc2c(C)cccc2O)N(C)C)c1 ZINC000876885918 623736316 /nfs/dbraw/zinc/73/63/16/623736316.db2.gz RTKNXQWXPSXEIN-GOSISDBHSA-N 1 0 314.429 3.102 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC)C[C@H](O)C(F)(F)F)cc1 ZINC000779193417 623740984 /nfs/dbraw/zinc/74/09/84/623740984.db2.gz QTEDGFMSAIPLAM-HNNXBMFYSA-N 1 0 318.383 3.278 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCc3ccsc3)cc2)CC1 ZINC000876913561 623743161 /nfs/dbraw/zinc/74/31/61/623743161.db2.gz IPDGIJIAEIMSBW-UHFFFAOYSA-N 1 0 316.470 3.042 20 10 DGCDRO CCOC1CC(C[NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000876943000 623750643 /nfs/dbraw/zinc/75/06/43/623750643.db2.gz LMWLLTYTQBKLCN-UHFFFAOYSA-N 1 0 320.502 3.145 20 10 DGCDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000876949676 623753085 /nfs/dbraw/zinc/75/30/85/623753085.db2.gz VCIBJYLVUYMTNE-UHFFFAOYSA-N 1 0 318.461 3.217 20 10 DGCDRO COc1ccc(OC)c(CC[NH2+]Cc2c(C)cccc2O)c1 ZINC000876978454 623759067 /nfs/dbraw/zinc/75/90/67/623759067.db2.gz KNKMHLYTVLDGAE-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1 ZINC000779597831 623780406 /nfs/dbraw/zinc/78/04/06/623780406.db2.gz WRTODYQEDZSPPG-UHFFFAOYSA-N 1 0 321.465 3.051 20 10 DGCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000779605425 623781177 /nfs/dbraw/zinc/78/11/77/623781177.db2.gz SDTCSLUYLCZJAL-INIZCTEOSA-N 1 0 318.461 3.164 20 10 DGCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877068160 623782627 /nfs/dbraw/zinc/78/26/27/623782627.db2.gz MWZWDUSNWLPKJE-MAUKXSAKSA-N 1 0 320.502 3.021 20 10 DGCDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877083501 623787809 /nfs/dbraw/zinc/78/78/09/623787809.db2.gz BQONKIYSKKSKSH-MRXNPFEDSA-N 1 0 312.413 3.078 20 10 DGCDRO CC(C)C([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877098878 623791472 /nfs/dbraw/zinc/79/14/72/623791472.db2.gz WPECRDVQOGAVBT-UHFFFAOYSA-N 1 0 304.478 3.418 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000877117358 623795237 /nfs/dbraw/zinc/79/52/37/623795237.db2.gz WDAFEHOJFYIZTE-AWEZNQCLSA-N 1 0 307.459 3.235 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000877122417 623796047 /nfs/dbraw/zinc/79/60/47/623796047.db2.gz SUZVBWDGHSADEF-YEJXKQKISA-N 1 0 303.427 3.289 20 10 DGCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2O)c2ccccc21 ZINC000877120656 623796201 /nfs/dbraw/zinc/79/62/01/623796201.db2.gz LMNYGVYISFYTJF-QGZVFWFLSA-N 1 0 310.397 3.288 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000877128381 623798990 /nfs/dbraw/zinc/79/89/90/623798990.db2.gz GOHRIUMDNUDBGV-FZKQIMNGSA-N 1 0 303.377 3.442 20 10 DGCDRO C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877144502 623805833 /nfs/dbraw/zinc/80/58/33/623805833.db2.gz OEJLMKATAADRBZ-UHFFFAOYSA-N 1 0 306.356 3.022 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c(O)c1 ZINC000877374857 623861348 /nfs/dbraw/zinc/86/13/48/623861348.db2.gz PPTLKVKCHJGYGT-KRWDZBQOSA-N 1 0 305.805 3.351 20 10 DGCDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877478615 623901953 /nfs/dbraw/zinc/90/19/53/623901953.db2.gz ORKXQHBBTPHPHC-MRXNPFEDSA-N 1 0 314.473 3.412 20 10 DGCDRO CCCN(Cc1c2c(nn1C)CCCC2)c1ccc(C[NH3+])cc1 ZINC000877478602 623902151 /nfs/dbraw/zinc/90/21/51/623902151.db2.gz OULYRMCMSYVZOM-UHFFFAOYSA-N 1 0 312.461 3.174 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(O)c1 ZINC000877482613 623904309 /nfs/dbraw/zinc/90/43/09/623904309.db2.gz KJAVBGOMDVFEOI-CYBMUJFWSA-N 1 0 323.400 3.040 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c(O)c1 ZINC000877482500 623904562 /nfs/dbraw/zinc/90/45/62/623904562.db2.gz BEXRNVFQWSLXSA-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877491523 623909204 /nfs/dbraw/zinc/90/92/04/623909204.db2.gz LKOKYELJIHHUCE-DOTOQJQBSA-N 1 0 302.462 3.174 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cnc(C)nc2C)c1 ZINC000877532042 623927166 /nfs/dbraw/zinc/92/71/66/623927166.db2.gz BYHHNRNRMUCTNS-MNOVXSKESA-N 1 0 301.390 3.219 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000877551506 623938289 /nfs/dbraw/zinc/93/82/89/623938289.db2.gz CESSPLQVJMLCFR-UHFFFAOYSA-N 1 0 310.319 3.447 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(C)ns3)C2)cc1 ZINC000877598997 623957514 /nfs/dbraw/zinc/95/75/14/623957514.db2.gz XBDLZAHVCOTFJP-AWEZNQCLSA-N 1 0 317.458 3.076 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000877640080 623974709 /nfs/dbraw/zinc/97/47/09/623974709.db2.gz ULTHGZAXLRVKPY-NEPJUHHUSA-N 1 0 303.324 3.242 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC(Cc3nccs3)CC2)c1 ZINC000877673248 623987310 /nfs/dbraw/zinc/98/73/10/623987310.db2.gz DJMOMZMGHZTBMV-UHFFFAOYSA-N 1 0 318.442 3.312 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790748147 625692140 /nfs/dbraw/zinc/69/21/40/625692140.db2.gz JYSZRUBCQCMNDN-CYBMUJFWSA-N 1 0 321.421 3.073 20 10 DGCDRO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H](C)c2ccccc2O)c1C ZINC000877755551 624021860 /nfs/dbraw/zinc/02/18/60/624021860.db2.gz DYGWRVBQXBVQPC-GFCCVEGCSA-N 1 0 316.401 3.365 20 10 DGCDRO COc1ccc([C@H]2C[N@H+](Cc3ccc(C)cc3O)CCO2)cc1 ZINC000877755241 624021954 /nfs/dbraw/zinc/02/19/54/624021954.db2.gz GKEXASMPSPQQLK-LJQANCHMSA-N 1 0 313.397 3.283 20 10 DGCDRO Cc1nn(C)c(C[NH2+][C@H](C)c2ccccc2O)c1Br ZINC000877755619 624022047 /nfs/dbraw/zinc/02/20/47/624022047.db2.gz ILBOPTVZHGNVRJ-SECBINFHSA-N 1 0 324.222 3.047 20 10 DGCDRO C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1O ZINC000877757385 624023857 /nfs/dbraw/zinc/02/38/57/624023857.db2.gz WLASQORNFZNLHH-LBPRGKRZSA-N 1 0 316.367 3.460 20 10 DGCDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000877818028 624048593 /nfs/dbraw/zinc/04/85/93/624048593.db2.gz CMYAJLMFJWJNDZ-OAHLLOKOSA-N 1 0 305.418 3.174 20 10 DGCDRO C[C@@H]([NH2+]CCCF)c1ccc(N2CCOCC2)cc1Cl ZINC000126950595 624198934 /nfs/dbraw/zinc/19/89/34/624198934.db2.gz MYZIREHDLMAPKR-GFCCVEGCSA-N 1 0 300.805 3.187 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000127194933 624302627 /nfs/dbraw/zinc/30/26/27/624302627.db2.gz BCCIOUOJVDQUNJ-MRXNPFEDSA-N 1 0 311.429 3.077 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CC1(O)CCCC1 ZINC000878565533 624309754 /nfs/dbraw/zinc/30/97/54/624309754.db2.gz OWVBHDUPHGPETN-KRWDZBQOSA-N 1 0 321.461 3.050 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccccc1O ZINC000879648687 624620993 /nfs/dbraw/zinc/62/09/93/624620993.db2.gz ZFMZVZWUTHZLBV-CQSZACIVSA-N 1 0 304.434 3.129 20 10 DGCDRO CCc1nc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)sc1C ZINC000879648336 624621216 /nfs/dbraw/zinc/62/12/16/624621216.db2.gz KJLPOEQRMUNFJV-SNVBAGLBSA-N 1 0 319.430 3.009 20 10 DGCDRO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)c(C)c1 ZINC000879651626 624624371 /nfs/dbraw/zinc/62/43/71/624624371.db2.gz DUUWXICOPVIGRU-HOTGVXAUSA-N 1 0 315.413 3.100 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1O ZINC000879651385 624624603 /nfs/dbraw/zinc/62/46/03/624624603.db2.gz SWICOOPWZOVMNF-XOBRGWDASA-N 1 0 324.424 3.310 20 10 DGCDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879651437 624624829 /nfs/dbraw/zinc/62/48/29/624624829.db2.gz VRJUHOXNCRRVID-STQMWFEESA-N 1 0 314.385 3.079 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccccc1O ZINC000879653037 624626870 /nfs/dbraw/zinc/62/68/70/624626870.db2.gz KRYJZIQRRJYUSX-NSHDSACASA-N 1 0 303.333 3.249 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000786164099 624815154 /nfs/dbraw/zinc/81/51/54/624815154.db2.gz NXIBZAXOHVQFGP-CQSZACIVSA-N 1 0 305.805 3.047 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CCCCO3)CC2)c1O ZINC000880454633 624959264 /nfs/dbraw/zinc/95/92/64/624959264.db2.gz HDHOCKIBQBKICZ-UHFFFAOYSA-N 1 0 321.392 3.269 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)CC(F)(F)F)cc1 ZINC000787151683 624984116 /nfs/dbraw/zinc/98/41/16/624984116.db2.gz JIVKOUFLNCHYEO-OAHLLOKOSA-N 1 0 318.383 3.278 20 10 DGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)[C@@H]1C ZINC000787245162 624991215 /nfs/dbraw/zinc/99/12/15/624991215.db2.gz ZWOMSXYIKWKIQS-UKRRQHHQSA-N 1 0 305.418 3.207 20 10 DGCDRO Oc1ccccc1C[N@@H+](C[C@H](O)CC(F)(F)F)C1CCCC1 ZINC000787245672 624991563 /nfs/dbraw/zinc/99/15/63/624991563.db2.gz KNPKDDIBLPCYLZ-CQSZACIVSA-N 1 0 317.351 3.450 20 10 DGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC000787421491 625008733 /nfs/dbraw/zinc/00/87/33/625008733.db2.gz SGNGOPDWTUHEML-MAUKXSAKSA-N 1 0 316.445 3.060 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788506556 625201468 /nfs/dbraw/zinc/20/14/68/625201468.db2.gz VYKLOIAZFUJDCU-LLVKDONJSA-N 1 0 302.340 3.157 20 10 DGCDRO CC(C)N(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000790955797 625721568 /nfs/dbraw/zinc/72/15/68/625721568.db2.gz ZSWKZEYNYOJIBC-UHFFFAOYSA-N 1 0 311.429 3.151 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cccc4c3CCOC4)ccc21 ZINC000882943583 625868662 /nfs/dbraw/zinc/86/86/62/625868662.db2.gz ZIWZNYQHVKTKBR-UHFFFAOYSA-N 1 0 322.452 3.432 20 10 DGCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000130601592 625879121 /nfs/dbraw/zinc/87/91/21/625879121.db2.gz BGOLDTSIJUFFEU-LRDDRELGSA-N 1 0 306.381 3.087 20 10 DGCDRO CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883073514 625917039 /nfs/dbraw/zinc/91/70/39/625917039.db2.gz SAGIVFQELOCCJN-ZDUSSCGKSA-N 1 0 312.404 3.128 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000883078601 625918603 /nfs/dbraw/zinc/91/86/03/625918603.db2.gz WVCPLSHBJCPJEI-YRGRVCCFSA-N 1 0 317.426 3.140 20 10 DGCDRO CCOc1ccc(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)c(O)c1 ZINC000792192990 625923023 /nfs/dbraw/zinc/92/30/23/625923023.db2.gz PGBPNIHGGHHJQR-GOEBONIOSA-N 1 0 307.434 3.428 20 10 DGCDRO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000131083665 625942406 /nfs/dbraw/zinc/94/24/06/625942406.db2.gz LXDHGCUZMSQONV-CQSZACIVSA-N 1 0 318.392 3.448 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000131157318 625952676 /nfs/dbraw/zinc/95/26/76/625952676.db2.gz GAPCUKCASZRROJ-KRWDZBQOSA-N 1 0 319.468 3.200 20 10 DGCDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796311231 626037465 /nfs/dbraw/zinc/03/74/65/626037465.db2.gz VYNCZXYAKJENPV-DLBZAZTESA-N 1 0 324.468 3.356 20 10 DGCDRO c1ccc(CN2CCc3cc(C[NH2+][C@@H]4CCOC4)ccc32)cc1 ZINC000796338230 626039975 /nfs/dbraw/zinc/03/99/75/626039975.db2.gz JIPGHBGATKOKGE-LJQANCHMSA-N 1 0 308.425 3.128 20 10 DGCDRO CC(C)CC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000796448947 626050679 /nfs/dbraw/zinc/05/06/79/626050679.db2.gz KVEONPYLSXVPHK-QZTJIDSGSA-N 1 0 321.461 3.170 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)c1 ZINC000796492872 626056039 /nfs/dbraw/zinc/05/60/39/626056039.db2.gz YUJSNUQILYSAJE-IFXJQAMLSA-N 1 0 315.413 3.311 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cc1C ZINC000796526173 626058778 /nfs/dbraw/zinc/05/87/78/626058778.db2.gz JXSPRUMERNFASE-JOCHJYFZSA-N 1 0 317.454 3.172 20 10 DGCDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000796526213 626058951 /nfs/dbraw/zinc/05/89/51/626058951.db2.gz KKCKVNLTPVKSHO-OAQYLSRUSA-N 1 0 323.845 3.214 20 10 DGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000796702977 626074512 /nfs/dbraw/zinc/07/45/12/626074512.db2.gz OIKDZPVHOHWBCL-PMACEKPBSA-N 1 0 316.489 3.420 20 10 DGCDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000796703701 626075082 /nfs/dbraw/zinc/07/50/82/626075082.db2.gz UIBDHQLCXNYVLE-AEFFLSMTSA-N 1 0 320.452 3.311 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1-n1ccnn1 ZINC000796740233 626077914 /nfs/dbraw/zinc/07/79/14/626077914.db2.gz YTMZZJFXXUHSCW-AWEZNQCLSA-N 1 0 320.396 3.053 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)c1 ZINC000797057748 626109179 /nfs/dbraw/zinc/10/91/79/626109179.db2.gz BFUPQNOPWCKTKK-CKFHNAJUSA-N 1 0 315.413 3.482 20 10 DGCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000797604869 626159796 /nfs/dbraw/zinc/15/97/96/626159796.db2.gz JUEBBUKZYOUCDJ-FQEVSTJZSA-N 1 0 324.424 3.017 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)c1 ZINC000798938083 626261508 /nfs/dbraw/zinc/26/15/08/626261508.db2.gz RKEGAPBQRUQVFW-ZFWWWQNUSA-N 1 0 307.434 3.240 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c(O)c1 ZINC000798960268 626263278 /nfs/dbraw/zinc/26/32/78/626263278.db2.gz DOQSHZPBWPEXRK-QGZVFWFLSA-N 1 0 315.417 3.252 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799154882 626276026 /nfs/dbraw/zinc/27/60/26/626276026.db2.gz JUMMJGNFJWQVAP-OAHLLOKOSA-N 1 0 305.381 3.325 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000799732525 626325816 /nfs/dbraw/zinc/32/58/16/626325816.db2.gz ZZSVFPKFKOHVBS-APWZRJJASA-N 1 0 312.457 3.397 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC(C3CCOCC3)C2)cc1 ZINC000800530754 626366367 /nfs/dbraw/zinc/36/63/67/626366367.db2.gz UEZSSAAYMBLFLL-UHFFFAOYSA-N 1 0 302.462 3.391 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c(O)c1 ZINC000800890141 626383038 /nfs/dbraw/zinc/38/30/38/626383038.db2.gz HHDIISLWVMFNIM-MRXNPFEDSA-N 1 0 313.397 3.274 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)c(O)c1 ZINC000883276205 626632959 /nfs/dbraw/zinc/63/29/59/626632959.db2.gz HRWOJMHLKUASKO-HOCLYGCPSA-N 1 0 303.402 3.104 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1 ZINC000883363663 626662191 /nfs/dbraw/zinc/66/21/91/626662191.db2.gz KANDBBKDQHUCEX-YZTRRJNXSA-N 1 0 300.446 3.457 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000806133390 626700900 /nfs/dbraw/zinc/70/09/00/626700900.db2.gz MGBWKZBRZZEYJD-VQTJNVASSA-N 1 0 314.473 3.174 20 10 DGCDRO CCc1nocc1C[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000840089766 626753537 /nfs/dbraw/zinc/75/35/37/626753537.db2.gz SKSHRTLQXPWHOM-UHFFFAOYSA-N 1 0 300.402 3.453 20 10 DGCDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1=CC(=O)CS1)[NH+](C)C ZINC000807491710 626759018 /nfs/dbraw/zinc/75/90/18/626759018.db2.gz ADSRFQUZTUABJE-BLLLJJGKSA-N 1 0 318.442 3.183 20 10 DGCDRO COC[C@]1(C)CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000840105955 626763684 /nfs/dbraw/zinc/76/36/84/626763684.db2.gz HAKLUFXLEMRKKR-LJQANCHMSA-N 1 0 315.413 3.412 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)CCCC2 ZINC000840119974 626771912 /nfs/dbraw/zinc/77/19/12/626771912.db2.gz JVMIQAZNJDEKMW-GUDVDZBRSA-N 1 0 315.457 3.396 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000840120447 626771967 /nfs/dbraw/zinc/77/19/67/626771967.db2.gz LLUDUPCSLAMMKR-BMGDILEWSA-N 1 0 312.413 3.066 20 10 DGCDRO Cc1cccc(Cl)c1NC(=O)CN(C)Cc1ccccc1O ZINC000133468615 626789008 /nfs/dbraw/zinc/78/90/08/626789008.db2.gz MRUUBOJZVUUDKQ-UHFFFAOYSA-N 1 0 318.804 3.425 20 10 DGCDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000808421349 626822664 /nfs/dbraw/zinc/82/26/64/626822664.db2.gz DFVIAIRJXZBUPK-CYBMUJFWSA-N 1 0 318.383 3.126 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1F ZINC000808452707 626826896 /nfs/dbraw/zinc/82/68/96/626826896.db2.gz OMZFPPUHHLCHLK-HNNXBMFYSA-N 1 0 318.367 3.124 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN(C)CC(F)(F)F)c1O ZINC000808694462 626849710 /nfs/dbraw/zinc/84/97/10/626849710.db2.gz DGNFAYRIJUZWCN-JTQLQIEISA-N 1 0 324.774 3.499 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)c1O ZINC000808703781 626850894 /nfs/dbraw/zinc/85/08/94/626850894.db2.gz WFVHLNLOEZTETC-CHWSQXEVSA-N 1 0 323.820 3.449 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)c1O ZINC000808703782 626850926 /nfs/dbraw/zinc/85/09/26/626850926.db2.gz WFVHLNLOEZTETC-OLZOCXBDSA-N 1 0 323.820 3.449 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O)c1O ZINC000808706835 626851788 /nfs/dbraw/zinc/85/17/88/626851788.db2.gz VYUVASWAIVIZHU-ZHYXMNDGSA-N 1 0 303.855 3.162 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000808705355 626851962 /nfs/dbraw/zinc/85/19/62/626851962.db2.gz FIXBVLFDVZZJLW-LLVKDONJSA-N 1 0 312.841 3.309 20 10 DGCDRO CCn1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)c1=O ZINC000808716397 626853112 /nfs/dbraw/zinc/85/31/12/626853112.db2.gz NGIQXQAWEWBAQM-LBPRGKRZSA-N 1 0 320.820 3.386 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1O ZINC000808728064 626854247 /nfs/dbraw/zinc/85/42/47/626854247.db2.gz MMBXTNQVGZSORP-YGRLFVJLSA-N 1 0 305.324 3.325 20 10 DGCDRO COc1cc(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c(O)cc1C ZINC000840143655 626857048 /nfs/dbraw/zinc/85/70/48/626857048.db2.gz WERQOAUXDSAHEL-IAGOWNOFSA-N 1 0 305.418 3.099 20 10 DGCDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809607252 626925296 /nfs/dbraw/zinc/92/52/96/626925296.db2.gz UIHSAMOEEQQZFM-OAHLLOKOSA-N 1 0 308.441 3.434 20 10 DGCDRO C[C@H](O)C[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639103 626931175 /nfs/dbraw/zinc/93/11/75/626931175.db2.gz HCGIRMVFSRBONF-INIZCTEOSA-N 1 0 310.441 3.062 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](CC2CCC2)[C@@H](C)CO)c1O ZINC000809665502 626934802 /nfs/dbraw/zinc/93/48/02/626934802.db2.gz VBXLBXRSYJEAHY-NSHDSACASA-N 1 0 313.825 3.037 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c(O)c1 ZINC000809700708 626938777 /nfs/dbraw/zinc/93/87/77/626938777.db2.gz MWNAIOJHIWETMY-ZBFHGGJFSA-N 1 0 307.434 3.306 20 10 DGCDRO Cc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000809724627 626942146 /nfs/dbraw/zinc/94/21/46/626942146.db2.gz SDBRNNAYCPFWKR-BBRMVZONSA-N 1 0 308.853 3.413 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2nc3ccccc3s2)c1 ZINC000809727926 626942367 /nfs/dbraw/zinc/94/23/67/626942367.db2.gz CVPWAZYSGZJVQY-UHFFFAOYSA-N 1 0 314.410 3.343 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](CCc2ccccc2)CCN(C)C)c1 ZINC000809730985 626943231 /nfs/dbraw/zinc/94/32/31/626943231.db2.gz MVSDMHUMUAXQIE-UHFFFAOYSA-N 1 0 312.457 3.307 20 10 DGCDRO Cc1cccc(CN(CC[NH+](C)C)Cc2ccccc2F)c1O ZINC000809732177 626943269 /nfs/dbraw/zinc/94/32/69/626943269.db2.gz FSLHDVOBVZRYKC-UHFFFAOYSA-N 1 0 316.420 3.404 20 10 DGCDRO CN(C)c1ccc(CN(CC[NH+](C)C)Cc2ccco2)cc1F ZINC000809745599 626945407 /nfs/dbraw/zinc/94/54/07/626945407.db2.gz DLEMEGFKLHCTOG-UHFFFAOYSA-N 1 0 319.424 3.049 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000809749137 626946087 /nfs/dbraw/zinc/94/60/87/626946087.db2.gz KJQMFWSSYPCRKG-GFCCVEGCSA-N 1 0 309.381 3.085 20 10 DGCDRO OC[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)C[C@@H]1c1ccccc1 ZINC000810164197 626982932 /nfs/dbraw/zinc/98/29/32/626982932.db2.gz AWWZKGPSBCIZAI-SJLPKXTDSA-N 1 0 317.816 3.301 20 10 DGCDRO OC[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)C[C@H]1c1ccccc1 ZINC000810164200 626983100 /nfs/dbraw/zinc/98/31/00/626983100.db2.gz AWWZKGPSBCIZAI-WMZOPIPTSA-N 1 0 317.816 3.301 20 10 DGCDRO CC[C@H]([NH2+]CC1(O)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810219054 626989319 /nfs/dbraw/zinc/98/93/19/626989319.db2.gz ZGSFXZGQOPLKNT-LBPRGKRZSA-N 1 0 303.324 3.367 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810222621 626989543 /nfs/dbraw/zinc/98/95/43/626989543.db2.gz XHECYHRRJIUHFZ-QWHCGFSZSA-N 1 0 305.340 3.469 20 10 DGCDRO CC[C@@H]([NH2+]CC1(CO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810220611 626989596 /nfs/dbraw/zinc/98/95/96/626989596.db2.gz ATVQJGYKUVFMEJ-GFCCVEGCSA-N 1 0 303.324 3.224 20 10 DGCDRO CC[C@@H]([NH2+]CCN1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810227331 626990379 /nfs/dbraw/zinc/99/03/79/626990379.db2.gz BZOIGTKUWMNTEG-CYBMUJFWSA-N 1 0 302.340 3.157 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)c1ccc(C(F)(F)F)cc1O ZINC000810234470 626990970 /nfs/dbraw/zinc/99/09/70/626990970.db2.gz DKGCDIQLSVNZKL-HDKXSFDQSA-N 1 0 323.380 3.219 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1O ZINC000810252775 626993089 /nfs/dbraw/zinc/99/30/89/626993089.db2.gz JAGDGZACBXOBJP-JQWIXIFHSA-N 1 0 305.809 3.285 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3(C4CC4)CCC3)cc2)CC1 ZINC000886389428 627145181 /nfs/dbraw/zinc/14/51/81/627145181.db2.gz JAXWYBAUZXXHKV-UHFFFAOYSA-N 1 0 300.446 3.070 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1c([O-])cccc1F ZINC000886641983 627178591 /nfs/dbraw/zinc/17/85/91/627178591.db2.gz WXYGMMAJRXSHRQ-DOMZBBRYSA-N 1 0 301.361 3.323 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccc(F)cc2)c(O)c1 ZINC000886676515 627187435 /nfs/dbraw/zinc/18/74/35/627187435.db2.gz IIHJHHFQNVBIJL-CZUORRHYSA-N 1 0 303.377 3.094 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)[C@@H]1CCCOC1 ZINC000886788586 627204570 /nfs/dbraw/zinc/20/45/70/627204570.db2.gz DYJLKODAFZIDRE-UXLLHSPISA-N 1 0 307.434 3.101 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC000811512127 627285325 /nfs/dbraw/zinc/28/53/25/627285325.db2.gz DQEWURZJJPLOBU-AWEZNQCLSA-N 1 0 310.388 3.000 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C1CC1 ZINC000811513842 627286225 /nfs/dbraw/zinc/28/62/25/627286225.db2.gz SGICBWBTWREUBM-GOSISDBHSA-N 1 0 318.436 3.283 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1F ZINC000811518807 627287108 /nfs/dbraw/zinc/28/71/08/627287108.db2.gz PDRVANVDLKJNCF-ROUUACIJSA-N 1 0 318.436 3.425 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1F ZINC000811518805 627287271 /nfs/dbraw/zinc/28/72/71/627287271.db2.gz PDRVANVDLKJNCF-MSOLQXFVSA-N 1 0 318.436 3.425 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC000811518811 627287401 /nfs/dbraw/zinc/28/74/01/627287401.db2.gz PEXSFYIWAVMKQO-MSOLQXFVSA-N 1 0 317.429 3.324 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000811803400 627322369 /nfs/dbraw/zinc/32/23/69/627322369.db2.gz LFKCFKGWHWYGLR-CQSZACIVSA-N 1 0 321.808 3.006 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811790532 627322825 /nfs/dbraw/zinc/32/28/25/627322825.db2.gz NCQJNAGBMYWQPW-MOPGFXCFSA-N 1 0 324.424 3.474 20 10 DGCDRO COc1cc(Br)cc(C[NH+]2CC(C3CC3)C2)c1O ZINC000812776549 627418967 /nfs/dbraw/zinc/41/89/67/627418967.db2.gz VNGRXABARAXWFY-UHFFFAOYSA-N 1 0 312.207 3.005 20 10 DGCDRO COc1cc(O)c(C[NH+]2CC(c3ccccc3F)C2)cc1OC ZINC000812789959 627420885 /nfs/dbraw/zinc/42/08/85/627420885.db2.gz FLZSKDSTEKHETO-UHFFFAOYSA-N 1 0 317.360 3.148 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](c1ccccc1)C1CC1)OCO2 ZINC000814299187 627557020 /nfs/dbraw/zinc/55/70/20/627557020.db2.gz QQNVPQQKSVMAGD-INIZCTEOSA-N 1 0 311.381 3.404 20 10 DGCDRO Cc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)ccc1N(C)C ZINC000815033706 627618284 /nfs/dbraw/zinc/61/82/84/627618284.db2.gz QIRYKIDPQOJKDC-GOSISDBHSA-N 1 0 301.478 3.121 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)Cc1ccc(F)cc1 ZINC000815055382 627619982 /nfs/dbraw/zinc/61/99/82/627619982.db2.gz YTBFCAOFMLZIBF-SFHVURJKSA-N 1 0 317.404 3.347 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)ccc1N(C)C ZINC000815062452 627621506 /nfs/dbraw/zinc/62/15/06/627621506.db2.gz UVDDYVIZSGCRHA-GOSISDBHSA-N 1 0 311.429 3.109 20 10 DGCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815073454 627622712 /nfs/dbraw/zinc/62/27/12/627622712.db2.gz NOZDLYXTELSEOF-UHFFFAOYSA-N 1 0 306.450 3.273 20 10 DGCDRO CCOC(=O)CC1([NH2+]Cc2ccc(N(C)CC)cc2)CCCC1 ZINC000815102286 627626813 /nfs/dbraw/zinc/62/68/13/627626813.db2.gz HRWMFYMNECZWSW-UHFFFAOYSA-N 1 0 318.461 3.498 20 10 DGCDRO CC(C)(C)C1CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000815147639 627637599 /nfs/dbraw/zinc/63/75/99/627637599.db2.gz UHRVHNCLEKIYAP-UHFFFAOYSA-N 1 0 302.462 3.438 20 10 DGCDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC000815153834 627638568 /nfs/dbraw/zinc/63/85/68/627638568.db2.gz ZBWFEQYLKAIXAR-OAHLLOKOSA-N 1 0 316.367 3.286 20 10 DGCDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760997 627677062 /nfs/dbraw/zinc/67/70/62/627677062.db2.gz SIIXYZCKZONNLE-HZPDHXFCSA-N 1 0 316.489 3.420 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000815556477 627684657 /nfs/dbraw/zinc/68/46/57/627684657.db2.gz WBJMNYLUBUNRJI-ZACQAIPSSA-N 1 0 320.477 3.159 20 10 DGCDRO C[C@@H]([NH3+])[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000925530551 627748699 /nfs/dbraw/zinc/74/86/99/627748699.db2.gz DTMNSVGAUJNSAK-FOIQADDNSA-N 1 0 309.457 3.247 20 10 DGCDRO NC(=O)C[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816509290 627798995 /nfs/dbraw/zinc/79/89/95/627798995.db2.gz LGSFUHHMGDKZAF-UHFFFAOYSA-N 1 0 320.392 3.033 20 10 DGCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816519810 627801760 /nfs/dbraw/zinc/80/17/60/627801760.db2.gz WTGWRKBUOFUQAY-CQSZACIVSA-N 1 0 323.799 3.428 20 10 DGCDRO CC[C@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1ccccc1O ZINC000925853365 627806485 /nfs/dbraw/zinc/80/64/85/627806485.db2.gz INULGCWVLYLHKD-GXTWGEPZSA-N 1 0 302.340 3.117 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000925885950 627811905 /nfs/dbraw/zinc/81/19/05/627811905.db2.gz BXSSCASTWLEXLZ-IYJAJMOOSA-N 1 0 314.404 3.241 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)cc1F ZINC000816666798 627822797 /nfs/dbraw/zinc/82/27/97/627822797.db2.gz WNVANJRMGIUVKA-HNNXBMFYSA-N 1 0 308.441 3.266 20 10 DGCDRO Cc1cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)ccc1N1CCCCC1 ZINC000817281899 627877321 /nfs/dbraw/zinc/87/73/21/627877321.db2.gz SFJVYKRUDQOGNW-QFBILLFUSA-N 1 0 316.489 3.436 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1ccc(C)cc1O ZINC000817587289 627926607 /nfs/dbraw/zinc/92/66/07/627926607.db2.gz DKVOSHCBOAAZSB-HOCLYGCPSA-N 1 0 307.434 3.325 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3CC4(C3)CCCC4)cc2)CC1 ZINC000926725873 627940544 /nfs/dbraw/zinc/94/05/44/627940544.db2.gz WNNHYSQXAJJRCP-UHFFFAOYSA-N 1 0 314.473 3.460 20 10 DGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000817938255 627966849 /nfs/dbraw/zinc/96/68/49/627966849.db2.gz HMQFERYQQXLXLG-XIKOKIGWSA-N 1 0 319.399 3.381 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817939116 627967389 /nfs/dbraw/zinc/96/73/89/627967389.db2.gz ZEZGXRIWUUKZNH-BBRMVZONSA-N 1 0 303.475 3.473 20 10 DGCDRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817940074 627967396 /nfs/dbraw/zinc/96/73/96/627967396.db2.gz DDSGCTXGUGVHHZ-FUHWJXTLSA-N 1 0 301.478 3.470 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCC[C@@H]2CCCF)cc1 ZINC000817939545 627967553 /nfs/dbraw/zinc/96/75/53/627967553.db2.gz CKPXRDZNOFFDJY-NXHRZFHOSA-N 1 0 307.457 3.260 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000817938967 627967657 /nfs/dbraw/zinc/96/76/57/627967657.db2.gz WNRRDMUONLWSPB-OALUTQOASA-N 1 0 313.420 3.169 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC[C@H]2CCCF)cc1 ZINC000817939538 627967745 /nfs/dbraw/zinc/96/77/45/627967745.db2.gz CKPXRDZNOFFDJY-CGTJXYLNSA-N 1 0 307.457 3.260 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817939119 627967925 /nfs/dbraw/zinc/96/79/25/627967925.db2.gz ZEZGXRIWUUKZNH-XJKSGUPXSA-N 1 0 303.475 3.473 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1O ZINC000817942303 627968624 /nfs/dbraw/zinc/96/86/24/627968624.db2.gz NZNYXLPMOJJQBB-QZTJIDSGSA-N 1 0 313.445 3.199 20 10 DGCDRO CC[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000817941896 627968765 /nfs/dbraw/zinc/96/87/65/627968765.db2.gz SVYIAVYWXXFMHL-YPMHNXCESA-N 1 0 302.340 3.204 20 10 DGCDRO CC[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817942773 627969262 /nfs/dbraw/zinc/96/92/62/627969262.db2.gz QVVXXSMQQGPEQI-IRXDYDNUSA-N 1 0 316.424 3.027 20 10 DGCDRO CCc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000817942356 627969311 /nfs/dbraw/zinc/96/93/11/627969311.db2.gz OLBGSHGSGHARGM-DYVFJYSZSA-N 1 0 301.434 3.259 20 10 DGCDRO CCc1cccnc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942458 627969375 /nfs/dbraw/zinc/96/93/75/627969375.db2.gz OYBROFNUUJBTON-KDOFPFPSSA-N 1 0 312.461 3.061 20 10 DGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)nc1 ZINC000817944301 627970068 /nfs/dbraw/zinc/97/00/68/627970068.db2.gz ZASUBBGCJZSUED-MLGOLLRUSA-N 1 0 318.852 3.152 20 10 DGCDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817952802 627972716 /nfs/dbraw/zinc/97/27/16/627972716.db2.gz SUHLOQFKPPKBLB-HOCLYGCPSA-N 1 0 305.441 3.219 20 10 DGCDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817952801 627972822 /nfs/dbraw/zinc/97/28/22/627972822.db2.gz SUHLOQFKPPKBLB-GOEBONIOSA-N 1 0 305.441 3.219 20 10 DGCDRO Nc1ccc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000817956666 627974301 /nfs/dbraw/zinc/97/43/01/627974301.db2.gz AFFXSJCREPOWCQ-SFHVURJKSA-N 1 0 311.385 3.387 20 10 DGCDRO CC(C)[C@@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817958111 627975138 /nfs/dbraw/zinc/97/51/38/627975138.db2.gz HPZIUCQUSHYZHD-YOEHRIQHSA-N 1 0 307.457 3.450 20 10 DGCDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817957868 627975159 /nfs/dbraw/zinc/97/51/59/627975159.db2.gz PZYCOVLFKFHBMK-WMZOPIPTSA-N 1 0 318.461 3.303 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC000926904084 627975334 /nfs/dbraw/zinc/97/53/34/627975334.db2.gz DODWSEYZSMIHAV-BZPMIXESSA-N 1 0 315.335 3.469 20 10 DGCDRO C[C@@H](N[C@@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817960336 627975890 /nfs/dbraw/zinc/97/58/90/627975890.db2.gz MEDDDHKQAIFTFB-DYVFJYSZSA-N 1 0 305.441 3.204 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817962105 627977151 /nfs/dbraw/zinc/97/71/51/627977151.db2.gz GBXWGOMCMZITBP-NWDGAFQWSA-N 1 0 315.373 3.171 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817980651 627982654 /nfs/dbraw/zinc/98/26/54/627982654.db2.gz CTVBCHSPQPVSIL-LPEHRKFASA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@@H](N[C@H]1CCCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817983507 627983625 /nfs/dbraw/zinc/98/36/25/627983625.db2.gz FPJVKDWWVBFBLY-AEFFLSMTSA-N 1 0 301.478 3.470 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)c(O)c1 ZINC000926929326 627984122 /nfs/dbraw/zinc/98/41/22/627984122.db2.gz UVZOEYBNHHEJSB-SNVBAGLBSA-N 1 0 313.323 3.304 20 10 DGCDRO C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1cc(F)ccc1O ZINC000926930099 627984129 /nfs/dbraw/zinc/98/41/29/627984129.db2.gz FWDGUOSZHRXBML-SNVBAGLBSA-N 1 0 306.406 3.370 20 10 DGCDRO C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cc2c(cc1O)CCCC2 ZINC000927005288 627996166 /nfs/dbraw/zinc/99/61/66/627996166.db2.gz ZCYUTOZRLRZRHG-ZDUSSCGKSA-N 1 0 317.429 3.075 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)n1 ZINC000927055627 628003696 /nfs/dbraw/zinc/00/36/96/628003696.db2.gz GLRLNZBOUDHOII-MCIONIFRSA-N 1 0 313.401 3.251 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccoc3C)C2)cc1 ZINC000818221048 628006631 /nfs/dbraw/zinc/00/66/31/628006631.db2.gz KTQSUVGTVMOZOD-OAHLLOKOSA-N 1 0 300.402 3.213 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000927071219 628007438 /nfs/dbraw/zinc/00/74/38/628007438.db2.gz XJPPBNIJJZDYHY-WPKBUWHJSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1O ZINC000818238836 628007839 /nfs/dbraw/zinc/00/78/39/628007839.db2.gz OLOJUBPOEJMDNU-BZBKMWRSSA-N 1 0 312.207 3.051 20 10 DGCDRO C[C@H]([NH2+]CCOC1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000927080506 628009332 /nfs/dbraw/zinc/00/93/32/628009332.db2.gz TWIWFYYMLLYVQY-AWEZNQCLSA-N 1 0 319.445 3.117 20 10 DGCDRO C[C@H]([NH2+]CCOC1CCOCC1)c1ccc2ccccc2c1O ZINC000927080156 628009355 /nfs/dbraw/zinc/00/93/55/628009355.db2.gz QJQKCMGCRDMADO-AWEZNQCLSA-N 1 0 315.413 3.392 20 10 DGCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)C[C@H]2C1 ZINC000818331492 628013636 /nfs/dbraw/zinc/01/36/36/628013636.db2.gz WGGNAYVARNTFIH-PLAPLOCASA-N 1 0 306.425 3.185 20 10 DGCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(N(C)C)cc3C)C[C@H]2C1 ZINC000818333619 628014630 /nfs/dbraw/zinc/01/46/30/628014630.db2.gz YFXJQBMGWDKDRC-LRNSACPNSA-N 1 0 302.462 3.354 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000818343189 628015961 /nfs/dbraw/zinc/01/59/61/628015961.db2.gz ZDBCVTHWSVGHJL-OHQAAIJDSA-N 1 0 300.446 3.300 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)n(C)n2)c2c1c(F)ccc2O ZINC000927109886 628017037 /nfs/dbraw/zinc/01/70/37/628017037.db2.gz ZIYSBEZHDAKLLV-QMTHXVAHSA-N 1 0 315.392 3.480 20 10 DGCDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cc(F)ccc1O ZINC000927139965 628025102 /nfs/dbraw/zinc/02/51/02/628025102.db2.gz PGTDINPANLASTM-PDSMFRHLSA-N 1 0 301.361 3.230 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2O)c1O ZINC000927141551 628025650 /nfs/dbraw/zinc/02/56/50/628025650.db2.gz WWAPVLKHJUMURO-NJAPINKUSA-N 1 0 313.397 3.100 20 10 DGCDRO OC[C@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000927148991 628026867 /nfs/dbraw/zinc/02/68/67/628026867.db2.gz WLHZELPKWCVODX-LNLFQRSKSA-N 1 0 311.425 3.427 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc(F)ccc1O ZINC000927154866 628027538 /nfs/dbraw/zinc/02/75/38/628027538.db2.gz DZMJYFLIYBHYFN-IYJAJMOOSA-N 1 0 315.388 3.275 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)cc1 ZINC000818941911 628063597 /nfs/dbraw/zinc/06/35/97/628063597.db2.gz UDXQZQKGNQOFGS-QGZVFWFLSA-N 1 0 322.811 3.368 20 10 DGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818985240 628073346 /nfs/dbraw/zinc/07/33/46/628073346.db2.gz PJQOQDMGXRUWHZ-AUUYWEPGSA-N 1 0 316.420 3.146 20 10 DGCDRO O[C@@H](C[NH2+]CCCSc1nccs1)c1cccc(F)c1 ZINC000819062762 628084962 /nfs/dbraw/zinc/08/49/62/628084962.db2.gz JJYFUIJHSTUJRK-ZDUSSCGKSA-N 1 0 312.435 3.088 20 10 DGCDRO CC[C@](C)(C(=O)OC)[N@@H+](Cc1cc(F)ccc1O)CC1CC1 ZINC000822504538 628458983 /nfs/dbraw/zinc/45/89/83/628458983.db2.gz UKMNHETXJDAOKE-QGZVFWFLSA-N 1 0 309.381 3.085 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822530182 628461805 /nfs/dbraw/zinc/46/18/05/628461805.db2.gz SSZNFAREGFQJOB-GOSISDBHSA-N 1 0 317.429 3.182 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000823395595 628556364 /nfs/dbraw/zinc/55/63/64/628556364.db2.gz XTNTVWMKSFKABE-QGZVFWFLSA-N 1 0 316.470 3.341 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3ccncc3C)CC2)cc1 ZINC000823419373 628559468 /nfs/dbraw/zinc/55/94/68/628559468.db2.gz ZUUNYNINQBHBNF-UHFFFAOYSA-N 1 0 311.429 3.111 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@H](C)CO ZINC000823924090 628610256 /nfs/dbraw/zinc/61/02/56/628610256.db2.gz RCPDXXUIXUZRSM-HUUCEWRRSA-N 1 0 318.486 3.491 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCOC2)cc1 ZINC000824023888 628619516 /nfs/dbraw/zinc/61/95/16/628619516.db2.gz ZUISCCNTMVJNLR-HNNXBMFYSA-N 1 0 302.443 3.263 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCc3c(F)cccc31)OCO2 ZINC000824469015 628663233 /nfs/dbraw/zinc/66/32/33/628663233.db2.gz UXCVUEGEZKXOHI-OAHLLOKOSA-N 1 0 315.344 3.427 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCC(O)CC3)CC2)cc1F ZINC000824521794 628666522 /nfs/dbraw/zinc/66/65/22/628666522.db2.gz OPKBKWNMDAOKAA-UHFFFAOYSA-N 1 0 320.452 3.409 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1Cl ZINC000824597433 628675426 /nfs/dbraw/zinc/67/54/26/628675426.db2.gz QZPWIVKHPDTGPY-LBPRGKRZSA-N 1 0 305.809 3.457 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000824636474 628679282 /nfs/dbraw/zinc/67/92/82/628679282.db2.gz QRRXUISUBNFAKA-PKOBYXMFSA-N 1 0 315.388 3.001 20 10 DGCDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000824702931 628685239 /nfs/dbraw/zinc/68/52/39/628685239.db2.gz UGQFECLFQSYLQH-LLVKDONJSA-N 1 0 318.383 3.411 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000824750318 628689430 /nfs/dbraw/zinc/68/94/30/628689430.db2.gz HNZMYTCZRYMWON-AWEZNQCLSA-N 1 0 305.418 3.230 20 10 DGCDRO COc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(O)c(C(C)(C)C)c1 ZINC000824861957 628701320 /nfs/dbraw/zinc/70/13/20/628701320.db2.gz FBLXLTIQDJVBBM-QGZVFWFLSA-N 1 0 319.445 3.309 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1C ZINC000824949416 628710101 /nfs/dbraw/zinc/71/01/01/628710101.db2.gz YCBDHSBKNKXZPC-PKOBYXMFSA-N 1 0 312.413 3.409 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCC2(CO)CC2)c(C(F)(F)F)c1 ZINC000825040655 628719396 /nfs/dbraw/zinc/71/93/96/628719396.db2.gz RBIQVEFESSIXLX-UHFFFAOYSA-N 1 0 316.367 3.024 20 10 DGCDRO CCCc1ncc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)o1 ZINC000825086041 628726479 /nfs/dbraw/zinc/72/64/79/628726479.db2.gz PARFNJVDZBXYHU-UHFFFAOYSA-N 1 0 310.781 3.285 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cccnc2N(C)C)cc1Cl ZINC000825113801 628729184 /nfs/dbraw/zinc/72/91/84/628729184.db2.gz KNTFOAKWRHNROQ-UHFFFAOYSA-N 1 0 305.809 3.105 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1 ZINC000825280213 628746022 /nfs/dbraw/zinc/74/60/22/628746022.db2.gz YTEGOSSYILPNCW-DLBZAZTESA-N 1 0 317.477 3.057 20 10 DGCDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cc(F)ccc2O)c1 ZINC000825325369 628749837 /nfs/dbraw/zinc/74/98/37/628749837.db2.gz BRCQRKMCVDLYAB-LLVKDONJSA-N 1 0 307.340 3.400 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CSCCS2)cc1Cl ZINC000825331734 628750983 /nfs/dbraw/zinc/75/09/83/628750983.db2.gz RIWCNBJSWJZMHZ-LLVKDONJSA-N 1 0 303.880 3.292 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1Cl ZINC000825391018 628756989 /nfs/dbraw/zinc/75/69/89/628756989.db2.gz OHBABEWNFVQTPC-DAXOMENPSA-N 1 0 307.821 3.401 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1Cl ZINC000825391022 628757176 /nfs/dbraw/zinc/75/71/76/628757176.db2.gz OHBABEWNFVQTPC-WQVCFCJDSA-N 1 0 307.821 3.401 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCC(=O)N2CCCCCC2)cc1Cl ZINC000825423095 628759670 /nfs/dbraw/zinc/75/96/70/628759670.db2.gz XBZIZPJCSIVURM-UHFFFAOYSA-N 1 0 324.852 3.236 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCNc2ccccn2)cc1Cl ZINC000825430100 628760245 /nfs/dbraw/zinc/76/02/45/628760245.db2.gz SKKUOPNZGMVCBQ-UHFFFAOYSA-N 1 0 305.809 3.341 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@]2(C)CO)c(O)c(C(C)(C)C)c1 ZINC000825628977 628778930 /nfs/dbraw/zinc/77/89/30/628778930.db2.gz OMQYZRVJHLMOEI-GOSISDBHSA-N 1 0 307.434 3.045 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c(O)c1 ZINC000825752766 628794231 /nfs/dbraw/zinc/79/42/31/628794231.db2.gz IWNCXFHNITUAQS-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000825942853 628812729 /nfs/dbraw/zinc/81/27/29/628812729.db2.gz MQZUPHFHAMJPDF-MSOLQXFVSA-N 1 0 317.477 3.009 20 10 DGCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000825942854 628813110 /nfs/dbraw/zinc/81/31/10/628813110.db2.gz MQZUPHFHAMJPDF-QZTJIDSGSA-N 1 0 317.477 3.009 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](O)C2(C)C)c(O)c(C(C)(C)C)c1 ZINC000825956241 628814780 /nfs/dbraw/zinc/81/47/80/628814780.db2.gz ZTDIDILPDSSDNV-OAHLLOKOSA-N 1 0 307.434 3.044 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1Cl ZINC000826910439 628902409 /nfs/dbraw/zinc/90/24/09/628902409.db2.gz HWFOUOGKQZVVOJ-IZDJOXEWSA-N 1 0 315.866 3.133 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1F ZINC000827151573 628928793 /nfs/dbraw/zinc/92/87/93/628928793.db2.gz FYRMKHZBCHKSTQ-UOIKSKOESA-N 1 0 308.441 3.121 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1O ZINC000827259439 628942511 /nfs/dbraw/zinc/94/25/11/628942511.db2.gz FFMQIMWQHSUEEL-QGZVFWFLSA-N 1 0 302.462 3.451 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000827526140 628967842 /nfs/dbraw/zinc/96/78/42/628967842.db2.gz HKXBEHODUBRKQR-OALUTQOASA-N 1 0 315.413 3.249 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)c1 ZINC000827525610 628967953 /nfs/dbraw/zinc/96/79/53/628967953.db2.gz BIZFDDMMESFDAA-RTBURBONSA-N 1 0 315.413 3.249 20 10 DGCDRO CCc1cc(NC2CCN(c3ccc(OC)cc3)CC2)cc[nH+]1 ZINC000827537732 628968680 /nfs/dbraw/zinc/96/86/80/628968680.db2.gz NSDZOIHJBBVDTM-UHFFFAOYSA-N 1 0 311.429 3.155 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](OC)C2CCCC2)c1O ZINC000827608446 628976258 /nfs/dbraw/zinc/97/62/58/628976258.db2.gz NEVJLMOGJOBKRC-HNNXBMFYSA-N 1 0 313.825 3.349 20 10 DGCDRO OCC1([C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccncc2)CCC1 ZINC000827934658 629005347 /nfs/dbraw/zinc/00/53/47/629005347.db2.gz MTCUZNTUAPJVTO-LJQANCHMSA-N 1 0 324.424 3.010 20 10 DGCDRO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1O ZINC000827969378 629009292 /nfs/dbraw/zinc/00/92/92/629009292.db2.gz KTBLIRCFKYKFRB-YOEHRIQHSA-N 1 0 316.445 3.367 20 10 DGCDRO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1O ZINC000827969224 629009528 /nfs/dbraw/zinc/00/95/28/629009528.db2.gz KTBLIRCFKYKFRB-WMLDXEAASA-N 1 0 316.445 3.367 20 10 DGCDRO CCC[NH+](CCC)CCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827978622 629010801 /nfs/dbraw/zinc/01/08/01/629010801.db2.gz YNGAIDJCXMBWKV-HNNXBMFYSA-N 1 0 306.450 3.472 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1 ZINC000828014165 629014515 /nfs/dbraw/zinc/01/45/15/629014515.db2.gz VYUJHQOOHGCVQK-UHFFFAOYSA-N 1 0 315.417 3.099 20 10 DGCDRO Cc1cc(C[NH2+][C@H](CCO)C(C)C)ccc1N1CCCCC1 ZINC000828803005 629094578 /nfs/dbraw/zinc/09/45/78/629094578.db2.gz ZSJGXVWNXBFGCM-GOSISDBHSA-N 1 0 304.478 3.482 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1O ZINC000828893373 629106130 /nfs/dbraw/zinc/10/61/30/629106130.db2.gz JVQRJPQCOSMDOO-CXAGYDPISA-N 1 0 321.392 3.125 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000828987794 629117505 /nfs/dbraw/zinc/11/75/05/629117505.db2.gz LQKNTTXBBHQPHG-QFBILLFUSA-N 1 0 302.462 3.188 20 10 DGCDRO CCCCC[C@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274056 629457790 /nfs/dbraw/zinc/45/77/90/629457790.db2.gz RKOZZOLZTMLQRA-MAUKXSAKSA-N 1 0 319.493 3.475 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC2(C)CCCCC2)cc1 ZINC000832266895 629457892 /nfs/dbraw/zinc/45/78/92/629457892.db2.gz KWLDNLKAAXHONE-QGZVFWFLSA-N 1 0 317.477 3.229 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCC2CCCCC2)cc1 ZINC000832292110 629460868 /nfs/dbraw/zinc/46/08/68/629460868.db2.gz AAJSYXGYGZDHOE-SFHVURJKSA-N 1 0 317.477 3.229 20 10 DGCDRO COc1ccccc1OCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834566747 629729649 /nfs/dbraw/zinc/72/96/49/629729649.db2.gz RNVXRWLXIZPMNO-HNNXBMFYSA-N 1 0 313.397 3.447 20 10 DGCDRO COc1ccc(O[C@H](C)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000834606212 629738867 /nfs/dbraw/zinc/73/88/67/629738867.db2.gz GGJZAUQNXZPYRR-DYVFJYSZSA-N 1 0 313.397 3.445 20 10 DGCDRO CCNC(=O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000101589477 629742848 /nfs/dbraw/zinc/74/28/48/629742848.db2.gz ASDCCFFOWYFQQI-UHFFFAOYSA-N 1 0 320.477 3.213 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1COc3cc(F)cc(F)c31)CC2 ZINC000834765539 629775603 /nfs/dbraw/zinc/77/56/03/629775603.db2.gz NGBQWEKNWCNXGI-QWHCGFSZSA-N 1 0 303.308 3.381 20 10 DGCDRO C[S@@](=O)Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000834799243 629782004 /nfs/dbraw/zinc/78/20/04/629782004.db2.gz XQNAJHBXLRGSHV-OPAMFIHVSA-N 1 0 315.438 3.048 20 10 DGCDRO OC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000834802982 629782201 /nfs/dbraw/zinc/78/22/01/629782201.db2.gz HPUAYENINLTAJJ-ZBFHGGJFSA-N 1 0 317.816 3.399 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(C)cc1O ZINC000834828371 629785126 /nfs/dbraw/zinc/78/51/26/629785126.db2.gz SINYZIFLFYPPSS-FUHWJXTLSA-N 1 0 317.404 3.484 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCn2ccnc21)c1cc(Br)ccc1O ZINC000834831387 629786377 /nfs/dbraw/zinc/78/63/77/629786377.db2.gz JJIHYLOAUDEJNQ-CABZTGNLSA-N 1 0 322.206 3.147 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)[C@H](O)C(F)F ZINC000834875504 629795363 /nfs/dbraw/zinc/79/53/63/629795363.db2.gz QBVGVDJPIPGKHC-VHNNBMRFSA-N 1 0 303.324 3.074 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1OC)c1cc(Cl)ccc1O ZINC000834880523 629796474 /nfs/dbraw/zinc/79/64/74/629796474.db2.gz IZQFNRMSBGQLOM-PJODQICGSA-N 1 0 313.825 3.138 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1cc(F)ccc1O ZINC000834890095 629798392 /nfs/dbraw/zinc/79/83/92/629798392.db2.gz CWXFBLWNFOGIMB-QITLCBANSA-N 1 0 316.376 3.497 20 10 DGCDRO CCC1(C[NH2+][C@H](C)c2cc(Br)ccc2O)COC1 ZINC000834898476 629802012 /nfs/dbraw/zinc/80/20/12/629802012.db2.gz DPCIGFQGYVAOGE-SNVBAGLBSA-N 1 0 314.223 3.232 20 10 DGCDRO CCC1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)COC1 ZINC000834898218 629802176 /nfs/dbraw/zinc/80/21/76/629802176.db2.gz AFMNUCKKIBUNSP-JTQLQIEISA-N 1 0 314.223 3.232 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000835026074 629827327 /nfs/dbraw/zinc/82/73/27/629827327.db2.gz PEFSTINFGKLVHO-VOFKWLDRSA-N 1 0 313.489 3.184 20 10 DGCDRO CC[NH+](CC)C[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835026223 629827726 /nfs/dbraw/zinc/82/77/26/629827726.db2.gz QODGNLHRLPRZRS-QULHZPMSSA-N 1 0 315.505 3.430 20 10 DGCDRO CC(C)[NH2+]C1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835027710 629828976 /nfs/dbraw/zinc/82/89/76/629828976.db2.gz NSDXYOKNXUZVFI-AATRIKPKSA-N 1 0 301.478 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000835030220 629829973 /nfs/dbraw/zinc/82/99/73/629829973.db2.gz VRPNZVDBSPCLLA-ONEGZZNKSA-N 1 0 310.445 3.369 20 10 DGCDRO Cc1ccc([C@@H](O)C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000835034677 629830255 /nfs/dbraw/zinc/83/02/55/629830255.db2.gz CKZWVTRRPUIWFA-SGSXCFNPSA-N 1 0 310.441 3.397 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000835034920 629830321 /nfs/dbraw/zinc/83/03/21/629830321.db2.gz ZVSDEMVDUQGJIX-FZMUQLTDSA-N 1 0 313.445 3.251 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2Cc3ccccc3C2)cc1 ZINC000835037791 629831114 /nfs/dbraw/zinc/83/11/14/629831114.db2.gz XISYBKAZTFGFFC-WAYWQWQTSA-N 1 0 321.468 3.371 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)c2ccsc2)cc1 ZINC000835041369 629831843 /nfs/dbraw/zinc/83/18/43/629831843.db2.gz WYWOHIYTPQSETC-REMYHPOOSA-N 1 0 302.443 3.151 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000835042962 629833189 /nfs/dbraw/zinc/83/31/89/629833189.db2.gz ZCXGBPKWVQBQJA-KATHRDDVSA-N 1 0 312.457 3.313 20 10 DGCDRO Cc1cccc([C@@H](O)C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC000835043879 629834054 /nfs/dbraw/zinc/83/40/54/629834054.db2.gz UWAQANYVTNALOB-BPJPHKDRSA-N 1 0 310.441 3.397 20 10 DGCDRO CC[C@@]1(CO)CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835045569 629834862 /nfs/dbraw/zinc/83/48/62/629834862.db2.gz IXHWKPSZITXDHY-SUOMESGTSA-N 1 0 302.462 3.250 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000835047310 629835666 /nfs/dbraw/zinc/83/56/66/629835666.db2.gz FWWDAOOWLSDBNR-XOIGSVRCSA-N 1 0 300.446 3.313 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000835048028 629835906 /nfs/dbraw/zinc/83/59/06/629835906.db2.gz DRHDQWLSVNRUGL-SUZKBHRPSA-N 1 0 324.472 3.379 20 10 DGCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835052941 629837838 /nfs/dbraw/zinc/83/78/38/629837838.db2.gz ITESIKJMGSVEFQ-LDBCMITESA-N 1 0 313.489 3.324 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055543 629838702 /nfs/dbraw/zinc/83/87/02/629838702.db2.gz VXJOZOHRLSBXTC-DFOOCIKTSA-N 1 0 316.445 3.087 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000835055536 629838836 /nfs/dbraw/zinc/83/88/36/629838836.db2.gz VTRLDFCJBBDASF-CGCMPYLGSA-N 1 0 314.473 3.391 20 10 DGCDRO CC(C)[C@@]1(CO)CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835055486 629839077 /nfs/dbraw/zinc/83/90/77/629839077.db2.gz KUFCJMFMNXZPHG-CYXJOQHWSA-N 1 0 316.489 3.496 20 10 DGCDRO CC[C@H]1C[N@H+](CC)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835054956 629839095 /nfs/dbraw/zinc/83/90/95/629839095.db2.gz OMMYGPAUZARBMF-DVBCCOPCSA-N 1 0 301.478 3.182 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000835055966 629839546 /nfs/dbraw/zinc/83/95/46/629839546.db2.gz QNXDWQLBGKPWSF-DUMMIQTOSA-N 1 0 300.446 3.145 20 10 DGCDRO CN(C)CC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000835070648 629843278 /nfs/dbraw/zinc/84/32/78/629843278.db2.gz UKDMMLAIOHAGDI-UHFFFAOYSA-N 1 0 317.399 3.201 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N(C)C)cc2)cc1C ZINC000835072366 629843571 /nfs/dbraw/zinc/84/35/71/629843571.db2.gz GFBAEQGHIQAMKH-LJQANCHMSA-N 1 0 312.457 3.063 20 10 DGCDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)O1 ZINC000835085984 629847696 /nfs/dbraw/zinc/84/76/96/629847696.db2.gz DCBLMBKEYLNRNJ-SMDDNHRTSA-N 1 0 316.367 3.429 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C ZINC000840756824 630356066 /nfs/dbraw/zinc/35/60/66/630356066.db2.gz CVZIQXWUVBPWJK-MRRJBJDNSA-N 1 0 324.415 3.326 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000840764293 630356766 /nfs/dbraw/zinc/35/67/66/630356766.db2.gz QGTLSLVDHYAAAD-ZMLRMANQSA-N 1 0 314.223 3.373 20 10 DGCDRO COCC[C@@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000840837816 630364692 /nfs/dbraw/zinc/36/46/92/630364692.db2.gz VUPCCWUWVJVZPK-GHMZBOCLSA-N 1 0 316.239 3.478 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H](O)C(C)C ZINC000840879824 630371220 /nfs/dbraw/zinc/37/12/20/630371220.db2.gz TXAMKNFNFIROGL-MOPGFXCFSA-N 1 0 320.477 3.049 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1 ZINC000840882327 630371563 /nfs/dbraw/zinc/37/15/63/630371563.db2.gz SSHPEKUAPQDAGO-HIFRSBDPSA-N 1 0 303.377 3.266 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000840893562 630373956 /nfs/dbraw/zinc/37/39/56/630373956.db2.gz LLJQKYUDALDNRL-MRXNPFEDSA-N 1 0 315.505 3.208 20 10 DGCDRO Cc1noc(C2CC[NH+](Cc3c(O)cc(C)cc3Cl)CC2)n1 ZINC000840910012 630376801 /nfs/dbraw/zinc/37/68/01/630376801.db2.gz DGAAHCIZWXQVLF-UHFFFAOYSA-N 1 0 321.808 3.425 20 10 DGCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840913426 630377041 /nfs/dbraw/zinc/37/70/41/630377041.db2.gz WBIJECHDHSWVJG-ZDUSSCGKSA-N 1 0 324.852 3.092 20 10 DGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)[nH]1 ZINC000840920253 630379064 /nfs/dbraw/zinc/37/90/64/630379064.db2.gz UNHZHQLBHGUHFK-GFCCVEGCSA-N 1 0 320.824 3.160 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000840927714 630379438 /nfs/dbraw/zinc/37/94/38/630379438.db2.gz APAIXKHIVPZPKN-SFHVURJKSA-N 1 0 320.383 3.162 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](Cn1ccnc1)C(C)(C)C ZINC000840929926 630379490 /nfs/dbraw/zinc/37/94/90/630379490.db2.gz QOZNPPSKSIQWKB-SFHVURJKSA-N 1 0 314.477 3.462 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@](C)(O)c1cccs1 ZINC000840933541 630379989 /nfs/dbraw/zinc/37/99/89/630379989.db2.gz HQZYNTLOBQHJKK-QGZVFWFLSA-N 1 0 304.459 3.120 20 10 DGCDRO CO[C@@H](CC[NH2+]Cc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000840940260 630381246 /nfs/dbraw/zinc/38/12/46/630381246.db2.gz WOJGKHOAIPIPRM-AWEZNQCLSA-N 1 0 304.356 3.118 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cnc3n2CCCC3)c(Cl)c1 ZINC000840942956 630382109 /nfs/dbraw/zinc/38/21/09/630382109.db2.gz BZNSBTALSTVOLF-UHFFFAOYSA-N 1 0 305.809 3.177 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](c3nccn3C)C2)c(Cl)c1 ZINC000840949137 630382483 /nfs/dbraw/zinc/38/24/83/630382483.db2.gz RCPDMWBLLUBTHQ-LBPRGKRZSA-N 1 0 305.809 3.077 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000840953195 630383217 /nfs/dbraw/zinc/38/32/17/630383217.db2.gz IMXRMRRITDQPTC-ONEGZZNKSA-N 1 0 322.456 3.435 20 10 DGCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(O)c1 ZINC000840956100 630385467 /nfs/dbraw/zinc/38/54/67/630385467.db2.gz AWWBLKDFEPLMET-AEFFLSMTSA-N 1 0 313.397 3.099 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c1O ZINC000840960912 630385822 /nfs/dbraw/zinc/38/58/22/630385822.db2.gz NUFOFFIVFBKRLX-QFYYESIMSA-N 1 0 313.825 3.347 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H](O)C(C)C ZINC000840967386 630388179 /nfs/dbraw/zinc/38/81/79/630388179.db2.gz MDVPIHLDKGKQGV-JSGCOSHPSA-N 1 0 316.239 3.040 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](CC)[C@@H](O)C(C)C)ccc1OC ZINC000840966491 630388256 /nfs/dbraw/zinc/38/82/56/630388256.db2.gz GNSVIJDSUHPCMM-AEFFLSMTSA-N 1 0 309.450 3.117 20 10 DGCDRO CC[N@H+](Cc1occc1C)Cc1cc(OC)c(OC)cc1O ZINC000840969663 630388269 /nfs/dbraw/zinc/38/82/69/630388269.db2.gz HMRPVAVYTWPUGN-UHFFFAOYSA-N 1 0 305.374 3.333 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@H](N)c2ccc(C(C)C)cc2)c1 ZINC000841038566 630399946 /nfs/dbraw/zinc/39/99/46/630399946.db2.gz YOWUJYRMVQTYRY-SFHVURJKSA-N 1 0 314.429 3.314 20 10 DGCDRO CCOc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000841034436 630400044 /nfs/dbraw/zinc/40/00/44/630400044.db2.gz BCMPSYWLJSGUIY-UHFFFAOYSA-N 1 0 300.402 3.008 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000841037183 630400052 /nfs/dbraw/zinc/40/00/52/630400052.db2.gz YYBGEDFZLWCHNS-UWJYYQICSA-N 1 0 323.484 3.454 20 10 DGCDRO Nc1ccc(CC[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000841039093 630400710 /nfs/dbraw/zinc/40/07/10/630400710.db2.gz ZVZQCQMKBFEHDY-UHFFFAOYSA-N 1 0 301.337 3.076 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccccc2C2CC2)cc1 ZINC000841044661 630400939 /nfs/dbraw/zinc/40/09/39/630400939.db2.gz DZOWQIYQHKNBHW-HXUWFJFHSA-N 1 0 309.457 3.420 20 10 DGCDRO C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044983 630401005 /nfs/dbraw/zinc/40/10/05/630401005.db2.gz HEKMDTAZKHJNJD-SMDDNHRTSA-N 1 0 303.372 3.073 20 10 DGCDRO Cc1cc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(C)s1 ZINC000841044919 630401232 /nfs/dbraw/zinc/40/12/32/630401232.db2.gz FYBDQAIPSWXVDM-QGZVFWFLSA-N 1 0 303.475 3.221 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]CC(C)(C)c2ccccc2)cc1 ZINC000841044970 630401461 /nfs/dbraw/zinc/40/14/61/630401461.db2.gz HCAZYGAUFCDAIL-IBGZPJMESA-N 1 0 311.473 3.320 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2coc3ccccc23)cc1 ZINC000841045681 630401908 /nfs/dbraw/zinc/40/19/08/630401908.db2.gz ODXFQXLGTRRPHH-SFHVURJKSA-N 1 0 309.413 3.288 20 10 DGCDRO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045775 630401982 /nfs/dbraw/zinc/40/19/82/630401982.db2.gz PTTBVVGXQIRPRI-AUUYWEPGSA-N 1 0 315.436 3.112 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2cc(C)cc(N)c2)ccc1OC ZINC000841070718 630404509 /nfs/dbraw/zinc/40/45/09/630404509.db2.gz HSIICCPZBSAXCK-UHFFFAOYSA-N 1 0 314.429 3.412 20 10 DGCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841301408 630425564 /nfs/dbraw/zinc/42/55/64/630425564.db2.gz NYKIPSDVMQPWHV-KSSFIOAISA-N 1 0 324.428 3.226 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(Cl)cc1O ZINC000841745514 630461802 /nfs/dbraw/zinc/46/18/02/630461802.db2.gz ZDZOSOKRIWXNIH-TZMCWYRMSA-N 1 0 321.804 3.136 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O ZINC000841747687 630461939 /nfs/dbraw/zinc/46/19/39/630461939.db2.gz DIGIWJSDWCEGHI-PWSUYJOCSA-N 1 0 310.825 3.096 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(Cl)cc1O ZINC000841755555 630462181 /nfs/dbraw/zinc/46/21/81/630462181.db2.gz JDQMVZJCEWUJBE-IAQYHMDHSA-N 1 0 323.795 3.439 20 10 DGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841760169 630462855 /nfs/dbraw/zinc/46/28/55/630462855.db2.gz RKRIQQLOYGOELN-JTQLQIEISA-N 1 0 323.824 3.201 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)CC2CCCCC2)c1 ZINC000841763578 630463238 /nfs/dbraw/zinc/46/32/38/630463238.db2.gz ZYZZGEAORDVXSN-HIFRSBDPSA-N 1 0 307.434 3.383 20 10 DGCDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000841889349 630473755 /nfs/dbraw/zinc/47/37/55/630473755.db2.gz BZEUDNMZZFGTIV-RBSFLKMASA-N 1 0 306.425 3.139 20 10 DGCDRO CCOc1cccc(CN(C)C(C)(C)C[NH+]2CCCC2)c1O ZINC000841893072 630473996 /nfs/dbraw/zinc/47/39/96/630473996.db2.gz DMYZPSAOWILZSP-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCSC[C@H]2C2CCC2)cc1OC ZINC000841893044 630474220 /nfs/dbraw/zinc/47/42/20/630474220.db2.gz CQJQNLJHGREZHM-AWEZNQCLSA-N 1 0 323.458 3.127 20 10 DGCDRO Cc1ccc(CN(CCC[NH3+])c2ccc3c(c2)OCCO3)s1 ZINC000842471545 630539048 /nfs/dbraw/zinc/53/90/48/630539048.db2.gz IAOZBHQDJLIMFW-UHFFFAOYSA-N 1 0 318.442 3.183 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(O)cc1C ZINC000842613590 630553749 /nfs/dbraw/zinc/55/37/49/630553749.db2.gz CXLUGZLLEHOIGS-ZBFHGGJFSA-N 1 0 305.418 3.100 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000842620160 630554378 /nfs/dbraw/zinc/55/43/78/630554378.db2.gz ZNRNMBXZFRIOEO-YJBOKZPZSA-N 1 0 312.413 3.331 20 10 DGCDRO C[N@H+](Cc1cc2c(cc1O)CCC2)C[C@@]1(O)CCc2ccccc21 ZINC000842623275 630555065 /nfs/dbraw/zinc/55/50/65/630555065.db2.gz LHSGKHBVLRDHGC-NRFANRHFSA-N 1 0 323.436 3.147 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000842626148 630555122 /nfs/dbraw/zinc/55/51/22/630555122.db2.gz UQLBTHVYAPCBPQ-WBMJQRKESA-N 1 0 305.418 3.006 20 10 DGCDRO C[N@H+](Cc1cc2c(cc1O)CCC2)C[C@](C)(O)c1ccccc1 ZINC000842628450 630555305 /nfs/dbraw/zinc/55/53/05/630555305.db2.gz VPAISBUEMQYYPL-FQEVSTJZSA-N 1 0 311.425 3.220 20 10 DGCDRO CCCC[C@@](C)(CO)[NH2+]Cc1cc(Br)ccc1O ZINC000842745455 630570611 /nfs/dbraw/zinc/57/06/11/630570611.db2.gz BSFQSFOIODAQHL-AWEZNQCLSA-N 1 0 316.239 3.186 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CCO)c2ccccc2F)cc1C ZINC000842762166 630572822 /nfs/dbraw/zinc/57/28/22/630572822.db2.gz BFOVPLAVCBRSDL-QGZVFWFLSA-N 1 0 303.377 3.356 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCc2cn3c(cccc3C)n2)cc1C ZINC000842783144 630575607 /nfs/dbraw/zinc/57/56/07/630575607.db2.gz SVQYYOYJVHAKRW-UHFFFAOYSA-N 1 0 309.413 3.297 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)[C@@H]1SC ZINC000842922709 630593460 /nfs/dbraw/zinc/59/34/60/630593460.db2.gz CEVOLLDJNUUHDA-YYQUZTFQSA-N 1 0 308.491 3.312 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)[C@@H]1SC ZINC000842922708 630593599 /nfs/dbraw/zinc/59/35/99/630593599.db2.gz CEVOLLDJNUUHDA-DXEWXGHRSA-N 1 0 308.491 3.312 20 10 DGCDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1F)c1cc(F)ccc1O ZINC000842922350 630593625 /nfs/dbraw/zinc/59/36/25/630593625.db2.gz BNFVLKKGPBWXOO-BDJLRTHQSA-N 1 0 307.340 3.445 20 10 DGCDRO C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)[C@@H]1C[NH3+] ZINC000843052245 630608826 /nfs/dbraw/zinc/60/88/26/630608826.db2.gz QOWSZDOVTZQUCQ-VQIMIIECSA-N 1 0 301.478 3.236 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccn(-c2ccccc2)n1 ZINC000843057613 630609436 /nfs/dbraw/zinc/60/94/36/630609436.db2.gz FQCZHNICALDBAP-UHFFFAOYSA-N 1 0 318.424 3.284 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843124631 630616333 /nfs/dbraw/zinc/61/63/33/630616333.db2.gz DQDSIGPUJYVFNU-VXGBXAGGSA-N 1 0 312.816 3.006 20 10 DGCDRO CCCC[C@@H](CC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299833 630643525 /nfs/dbraw/zinc/64/35/25/630643525.db2.gz XGBHRFMGYAOBLP-RHSMWYFYSA-N 1 0 305.466 3.085 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc(C2CCCC2)no1 ZINC000843350950 630648759 /nfs/dbraw/zinc/64/87/59/630648759.db2.gz YQSJWLKVDMLSOO-UHFFFAOYSA-N 1 0 312.417 3.139 20 10 DGCDRO C[NH2+]CCCN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000843357725 630649263 /nfs/dbraw/zinc/64/92/63/630649263.db2.gz OLMYYYGQHXKPBS-UHFFFAOYSA-N 1 0 318.442 3.135 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1F ZINC000843418216 630654938 /nfs/dbraw/zinc/65/49/38/630654938.db2.gz ZGDBJQBKPXGKMV-DOTOQJQBSA-N 1 0 306.425 3.283 20 10 DGCDRO C[C@H]([NH3+])CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843484231 630662071 /nfs/dbraw/zinc/66/20/71/630662071.db2.gz ITCGKVIVVLGYLR-GJZGRUSLSA-N 1 0 312.413 3.219 20 10 DGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](C)C[NH3+] ZINC000843487359 630662226 /nfs/dbraw/zinc/66/22/26/630662226.db2.gz DLUZQVODOMNEBJ-LSDHHAIUSA-N 1 0 312.413 3.077 20 10 DGCDRO C[C@H](C[NH3+])C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843487345 630662506 /nfs/dbraw/zinc/66/25/06/630662506.db2.gz DLUZQVODOMNEBJ-CABCVRRESA-N 1 0 312.413 3.077 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cccc(OC(F)F)c2)c1O ZINC000105477687 630712978 /nfs/dbraw/zinc/71/29/78/630712978.db2.gz MYQJSIJJSFEWAZ-UHFFFAOYSA-N 1 0 309.312 3.292 20 10 DGCDRO CCc1ccncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000844708350 630797084 /nfs/dbraw/zinc/79/70/84/630797084.db2.gz ZVNJTAXVHDLNKO-UHFFFAOYSA-N 1 0 310.445 3.008 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CNc3ccccc3C2)cc1 ZINC000844906963 630972761 /nfs/dbraw/zinc/97/27/61/630972761.db2.gz XBHYZYYKXCVALT-XFHJGTJQSA-N 1 0 307.441 3.392 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CNc3ccccc3C2)c(Cl)c1 ZINC000844906624 630973283 /nfs/dbraw/zinc/97/32/83/630973283.db2.gz VNFSEPNLSIGDPG-CYBMUJFWSA-N 1 0 302.805 3.480 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2cccc(OC)n2)c1 ZINC000845972502 631204291 /nfs/dbraw/zinc/20/42/91/631204291.db2.gz QZQXSKOGOXFJRD-QWHCGFSZSA-N 1 0 316.401 3.086 20 10 DGCDRO OC1(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000846008442 631205577 /nfs/dbraw/zinc/20/55/77/631205577.db2.gz NUDXXOXWIHQGOR-UHFFFAOYSA-N 1 0 314.473 3.414 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2CCc3ccc(C)cc32)cc1OC ZINC000846055442 631208709 /nfs/dbraw/zinc/20/87/09/631208709.db2.gz MCWLNNCUNUQOHL-INIZCTEOSA-N 1 0 313.397 3.495 20 10 DGCDRO CCn1cc(C[N@H+](Cc2cc(OC)ccc2O)C(C)C)cn1 ZINC000846056251 631208766 /nfs/dbraw/zinc/20/87/66/631208766.db2.gz RPYNPCRJTMUAPD-UHFFFAOYSA-N 1 0 303.406 3.028 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CCO)C2CCCCC2)c1O ZINC000846143946 631211734 /nfs/dbraw/zinc/21/17/34/631211734.db2.gz BHUMHSUQSKNHBI-CJNGLKHVSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCOCc2ccccc2)c1O ZINC000846144498 631211910 /nfs/dbraw/zinc/21/19/10/631211910.db2.gz HETPQTNHOVPTKG-CQSZACIVSA-N 1 0 301.386 3.268 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCCCNc2ccccn2)c1O ZINC000846143763 631211913 /nfs/dbraw/zinc/21/19/13/631211913.db2.gz HHFTVXWREBXZBR-AWEZNQCLSA-N 1 0 315.417 3.339 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)c1O ZINC000846147199 631211980 /nfs/dbraw/zinc/21/19/80/631211980.db2.gz UTNGDGUNWWALTN-ZDUSSCGKSA-N 1 0 311.385 3.208 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2nccn2CC(C)C)c1O ZINC000846145536 631212034 /nfs/dbraw/zinc/21/20/34/631212034.db2.gz LHQFGBVOYWMFKM-ZDUSSCGKSA-N 1 0 303.406 3.104 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c1O ZINC000846147231 631212054 /nfs/dbraw/zinc/21/20/54/631212054.db2.gz UWOSZLRVQXSGGL-QWHCGFSZSA-N 1 0 301.386 3.388 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)c1O ZINC000846145560 631212164 /nfs/dbraw/zinc/21/21/64/631212164.db2.gz OQEZESXCEJNZLG-XJKSGUPXSA-N 1 0 301.386 3.175 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccc(F)cc2F)c1O ZINC000846151499 631212237 /nfs/dbraw/zinc/21/22/37/631212237.db2.gz ZECWUVFMFSTOEC-NSHDSACASA-N 1 0 323.339 3.409 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c(F)c1 ZINC000846153196 631212468 /nfs/dbraw/zinc/21/24/68/631212468.db2.gz HOVKNLQHXLJUOY-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c1O ZINC000846154037 631212484 /nfs/dbraw/zinc/21/24/84/631212484.db2.gz JDCNTVLBKJIEFM-IINYFYTJSA-N 1 0 323.339 3.063 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1O ZINC000846168192 631213164 /nfs/dbraw/zinc/21/31/64/631213164.db2.gz IBXUEVGJVDTRQA-UONOGXRCSA-N 1 0 305.418 3.401 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1O ZINC000846168193 631213190 /nfs/dbraw/zinc/21/31/90/631213190.db2.gz IBXUEVGJVDTRQA-ZIAGYGMSSA-N 1 0 305.418 3.401 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3ccccc3OC2)c1O ZINC000846169046 631213224 /nfs/dbraw/zinc/21/32/24/631213224.db2.gz XOZIAYPSWAIFCR-ZFWWWQNUSA-N 1 0 313.397 3.445 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846170961 631213610 /nfs/dbraw/zinc/21/36/10/631213610.db2.gz NPIKYIJHPVXYCA-DYVFJYSZSA-N 1 0 315.413 3.347 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)c1O ZINC000846189838 631214354 /nfs/dbraw/zinc/21/43/54/631214354.db2.gz UTVMMAACLSXYJI-PXAZEXFGSA-N 1 0 305.418 3.257 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000846204990 631214659 /nfs/dbraw/zinc/21/46/59/631214659.db2.gz DLAOZFHNUAIMKF-IAQYHMDHSA-N 1 0 322.836 3.097 20 10 DGCDRO OC[C@@H](CCF)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000846210024 631214993 /nfs/dbraw/zinc/21/49/93/631214993.db2.gz WFFPZWYUZGWFSF-AEFFLSMTSA-N 1 0 317.404 3.376 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000846215078 631215145 /nfs/dbraw/zinc/21/51/45/631215145.db2.gz JZQSAQDDUNWBOO-CZUORRHYSA-N 1 0 312.413 3.128 20 10 DGCDRO CC[N@H+](CCCNC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000846309457 631225583 /nfs/dbraw/zinc/22/55/83/631225583.db2.gz FDSKUGBILKEZAJ-UHFFFAOYSA-N 1 0 318.465 3.435 20 10 DGCDRO C/C(=C/c1cccnc1)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000846842506 631325200 /nfs/dbraw/zinc/32/52/00/631325200.db2.gz YMVILHMEVRFPHS-PEZBUJJGSA-N 1 0 309.413 3.080 20 10 DGCDRO C/C(=C/c1cccnc1)C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000846864818 631332680 /nfs/dbraw/zinc/33/26/80/631332680.db2.gz DXNFXYFQQPGZMQ-VHUCWBOISA-N 1 0 321.424 3.004 20 10 DGCDRO C[NH2+][C@@H](C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000848427388 631660250 /nfs/dbraw/zinc/66/02/50/631660250.db2.gz LJFJQXUNACFGBO-LSDHHAIUSA-N 1 0 312.413 3.090 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c(O)cc1C ZINC000848497626 631670358 /nfs/dbraw/zinc/67/03/58/631670358.db2.gz NVLPFCAKFNUBIO-INIZCTEOSA-N 1 0 305.418 3.243 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1c(O)ccc2ccncc21)C(C)C ZINC000848501215 631670992 /nfs/dbraw/zinc/67/09/92/631670992.db2.gz GTFTZKAMDOFUEL-UHFFFAOYSA-N 1 0 316.401 3.104 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1CC1CCCC1)[C@H](O)CO2 ZINC000848505344 631671275 /nfs/dbraw/zinc/67/12/75/631671275.db2.gz IWISAMYOHHWDMJ-MAUKXSAKSA-N 1 0 317.429 3.363 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC2(CCCCC2)O1 ZINC000848505675 631671912 /nfs/dbraw/zinc/67/19/12/631671912.db2.gz LLFPQSGJPDHDJK-CYBMUJFWSA-N 1 0 319.401 3.045 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(Cl)n2C)cc1F ZINC000848535179 631683094 /nfs/dbraw/zinc/68/30/94/631683094.db2.gz DYJBNEOFKVGWQM-UHFFFAOYSA-N 1 0 324.831 3.349 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnc(Cl)n1C ZINC000848555661 631690345 /nfs/dbraw/zinc/69/03/45/631690345.db2.gz CORDAKWDFHFVMR-ZDUSSCGKSA-N 1 0 320.868 3.169 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1O ZINC000848558309 631691976 /nfs/dbraw/zinc/69/19/76/631691976.db2.gz LGICOAGQZZSTMI-ZBEGNZNMSA-N 1 0 314.360 3.135 20 10 DGCDRO COCC1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000848560268 631692903 /nfs/dbraw/zinc/69/29/03/631692903.db2.gz BYPQAENHEFIAJW-SNVBAGLBSA-N 1 0 314.223 3.232 20 10 DGCDRO CO[C@](C)(CO)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000848560151 631693076 /nfs/dbraw/zinc/69/30/76/631693076.db2.gz ZEJMOOOCXGBSQH-APWZRJJASA-N 1 0 320.477 3.115 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3ccccc3NC2=O)cc1C ZINC000848560715 631693124 /nfs/dbraw/zinc/69/31/24/631693124.db2.gz JXBRKAWUGDIIJO-QGZVFWFLSA-N 1 0 310.397 3.052 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000848563497 631693735 /nfs/dbraw/zinc/69/37/35/631693735.db2.gz SZJMYBKLIRMTAB-RYUDHWBXSA-N 1 0 309.406 3.029 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2O ZINC000848566328 631695845 /nfs/dbraw/zinc/69/58/45/631695845.db2.gz VBKBWIPSKXSEFO-XEDJZSQJSA-N 1 0 313.372 3.328 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000848568355 631697044 /nfs/dbraw/zinc/69/70/44/631697044.db2.gz GORKFSLGNMHBTB-IAOVAPTHSA-N 1 0 304.434 3.068 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c(O)c1 ZINC000848576286 631701562 /nfs/dbraw/zinc/70/15/62/631701562.db2.gz LWZSMGIFUPIOHB-INIZCTEOSA-N 1 0 305.418 3.372 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1O ZINC000848882619 631769071 /nfs/dbraw/zinc/76/90/71/631769071.db2.gz VZLCDWQNYNHVLU-AWEZNQCLSA-N 1 0 317.351 3.498 20 10 DGCDRO CCc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1O ZINC000848888031 631772921 /nfs/dbraw/zinc/77/29/21/631772921.db2.gz KVXWYIFBMRQBDQ-MSOLQXFVSA-N 1 0 302.462 3.402 20 10 DGCDRO CCc1cccc(C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c1O ZINC000848887873 631773627 /nfs/dbraw/zinc/77/36/27/631773627.db2.gz GXJQCMCYTUKYBP-ROUUACIJSA-N 1 0 318.461 3.176 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1O ZINC000848890430 631773676 /nfs/dbraw/zinc/77/36/76/631773676.db2.gz IOFYZGOFOKLKJU-QGZVFWFLSA-N 1 0 314.429 3.474 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1O ZINC000848898612 631779026 /nfs/dbraw/zinc/77/90/26/631779026.db2.gz FLDRIXRGRKSTJO-NXHRZFHOSA-N 1 0 301.430 3.392 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1O ZINC000848901351 631779485 /nfs/dbraw/zinc/77/94/85/631779485.db2.gz YDWPUBDCEOVWGP-MRXNPFEDSA-N 1 0 305.418 3.120 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCSC3(CCOCC3)C2)c1O ZINC000848903539 631781034 /nfs/dbraw/zinc/78/10/34/631781034.db2.gz VWDRBTXYCLLJHC-UHFFFAOYSA-N 1 0 307.459 3.053 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cccc(NC(=O)OC)c2)c1O ZINC000848910526 631783099 /nfs/dbraw/zinc/78/30/99/631783099.db2.gz KZRSIIUJAVCPRA-UHFFFAOYSA-N 1 0 314.385 3.423 20 10 DGCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(CC)c1O ZINC000848911670 631784308 /nfs/dbraw/zinc/78/43/08/631784308.db2.gz XRDNYAAPNKZKNF-INIZCTEOSA-N 1 0 320.433 3.055 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O ZINC000848916986 631786883 /nfs/dbraw/zinc/78/68/83/631786883.db2.gz YNFZJHBQBRTOGV-CQSZACIVSA-N 1 0 318.461 3.068 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1O ZINC000848916698 631786889 /nfs/dbraw/zinc/78/68/89/631786889.db2.gz WMAVIJQXLWHTBM-ZWKOTPCHSA-N 1 0 312.413 3.360 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1O ZINC000848925073 631789416 /nfs/dbraw/zinc/78/94/16/631789416.db2.gz MHOAIKPGULKCAE-MRXNPFEDSA-N 1 0 305.418 3.324 20 10 DGCDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000848926877 631791159 /nfs/dbraw/zinc/79/11/59/631791159.db2.gz GMWJHFLUIPPBRW-INIZCTEOSA-N 1 0 305.418 3.077 20 10 DGCDRO Cc1ccc(CNC(=[NH2+])NCc2c(O)ccc3c2CCCC3)cc1 ZINC000849098401 631834793 /nfs/dbraw/zinc/83/47/93/631834793.db2.gz LCPFETGTSCDCCX-UHFFFAOYSA-N 1 0 323.440 3.394 20 10 DGCDRO COc1cc(C[NH2+]CCCn2ccnc2)c(O)c(C(C)(C)C)c1 ZINC000850006252 632026989 /nfs/dbraw/zinc/02/69/89/632026989.db2.gz QHZQXTCBLMKGPK-UHFFFAOYSA-N 1 0 317.433 3.075 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(OC3CC3)c2F)c1 ZINC000850137810 632063989 /nfs/dbraw/zinc/06/39/89/632063989.db2.gz WZIQLMWAZGNAPB-UHFFFAOYSA-N 1 0 317.360 3.371 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000850155607 632067375 /nfs/dbraw/zinc/06/73/75/632067375.db2.gz DOWLJLFTLOBSEU-UKRRQHHQSA-N 1 0 321.461 3.339 20 10 DGCDRO COc1cc(C[NH2+][C@H](CO)C2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850308377 632109632 /nfs/dbraw/zinc/10/96/32/632109632.db2.gz YLSFCCDVVWJGHE-QGZVFWFLSA-N 1 0 321.461 3.339 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2COC(C)(C)C2)c(C(F)(F)F)c1 ZINC000850342367 632119299 /nfs/dbraw/zinc/11/92/99/632119299.db2.gz QFDRVAXKBVCURU-GFCCVEGCSA-N 1 0 316.367 3.429 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(F)cc(F)c3)C2)cc1 ZINC000850347724 632121106 /nfs/dbraw/zinc/12/11/06/632121106.db2.gz WSQAOPUZAUQNBM-MRXNPFEDSA-N 1 0 318.367 3.342 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C=CCC2)ccc1N1CCCCC1 ZINC000850358063 632124900 /nfs/dbraw/zinc/12/49/00/632124900.db2.gz FPEFGNALWZSKDP-HNNXBMFYSA-N 1 0 301.390 3.393 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCO[C@H]2CC2(F)F)cc1F ZINC000850365336 632126831 /nfs/dbraw/zinc/12/68/31/632126831.db2.gz GFWADISWCSMRQP-HNNXBMFYSA-N 1 0 316.367 3.186 20 10 DGCDRO FC1(F)C[C@@H]1OCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000850365469 632127251 /nfs/dbraw/zinc/12/72/51/632127251.db2.gz HRGXPGUCHCTPNS-INIZCTEOSA-N 1 0 310.388 3.191 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000850378279 632132046 /nfs/dbraw/zinc/13/20/46/632132046.db2.gz WPOKNXSLXLYFNJ-HOTGVXAUSA-N 1 0 313.397 3.063 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000850379478 632132799 /nfs/dbraw/zinc/13/27/99/632132799.db2.gz QLBKOAPVOMOXHT-SNAWJCMRSA-N 1 0 310.445 3.167 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)ccc1OC ZINC000850379687 632133152 /nfs/dbraw/zinc/13/31/52/632133152.db2.gz VLHGFFDOUOHJOH-PBHICJAKSA-N 1 0 307.434 3.279 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3CCC4(CC4)CC3)cc2)CC1 ZINC000850406405 632142178 /nfs/dbraw/zinc/14/21/78/632142178.db2.gz FWRFSBXDTUFMLA-UHFFFAOYSA-N 1 0 314.473 3.460 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC1(C)C ZINC000850406458 632142586 /nfs/dbraw/zinc/14/25/86/632142586.db2.gz HFYNLTPYFPCXFK-KBXCAEBGSA-N 1 0 302.462 3.172 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCOC3(C)C)CC2)cc1 ZINC000850408737 632142948 /nfs/dbraw/zinc/14/29/48/632142948.db2.gz DNBWOTRTJUOEOJ-OAHLLOKOSA-N 1 0 318.461 3.069 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](OC)C2CCCCC2)c1O ZINC000850408045 632143500 /nfs/dbraw/zinc/14/35/00/632143500.db2.gz WEPXCPFZZBXEBN-KRWDZBQOSA-N 1 0 307.434 3.476 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CC1(C(=O)OC(C)(C)C)CCC1 ZINC000850412565 632143916 /nfs/dbraw/zinc/14/39/16/632143916.db2.gz GPGPLGPKUMQQFD-UHFFFAOYSA-N 1 0 321.417 3.002 20 10 DGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000850411994 632143929 /nfs/dbraw/zinc/14/39/29/632143929.db2.gz QRBYNSFOMKIVLL-PXAZEXFGSA-N 1 0 305.805 3.300 20 10 DGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)CCC1 ZINC000850425066 632148336 /nfs/dbraw/zinc/14/83/36/632148336.db2.gz PXFDVLYUKHPRNI-OAHLLOKOSA-N 1 0 320.502 3.287 20 10 DGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000850427299 632149159 /nfs/dbraw/zinc/14/91/59/632149159.db2.gz RKDKIEMKCVUTSI-CEXWTWQISA-N 1 0 314.473 3.438 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Br)ccc1O ZINC000850482970 632166128 /nfs/dbraw/zinc/16/61/28/632166128.db2.gz TUXMWGQJXMCUCS-KOLCDFICSA-N 1 0 314.223 3.373 20 10 DGCDRO COC[C@@H](CC[NH2+][C@H](C)c1ccc2ccccc2c1O)OC ZINC000850485193 632166957 /nfs/dbraw/zinc/16/69/57/632166957.db2.gz CLFACKOGAOQMRM-UKRRQHHQSA-N 1 0 303.402 3.248 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)Cc3ccoc3)C2)cc1 ZINC000850486480 632167961 /nfs/dbraw/zinc/16/79/61/632167961.db2.gz HRLIMUHUDFUBTM-ZBFHGGJFSA-N 1 0 300.402 3.088 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cncs3)C2)cc1 ZINC000850488423 632168606 /nfs/dbraw/zinc/16/86/06/632168606.db2.gz MRHHIOCKKBTSBA-OLZOCXBDSA-N 1 0 303.431 3.081 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CC3(OC)CCC3)C2)cc1 ZINC000850489911 632169309 /nfs/dbraw/zinc/16/93/09/632169309.db2.gz XXIAQRVYUOXIKQ-HOTGVXAUSA-N 1 0 318.461 3.211 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](COC)C2CCOCC2)cc1 ZINC000850491538 632170078 /nfs/dbraw/zinc/17/00/78/632170078.db2.gz FAFBHTSFWOHMSQ-DNVCBOLYSA-N 1 0 320.477 3.235 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cc(Cl)ccc1O ZINC000850498791 632172479 /nfs/dbraw/zinc/17/24/79/632172479.db2.gz DFVCRPKJNSUZPL-JIMOISOXSA-N 1 0 306.797 3.384 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ccc(C)cc1O ZINC000850500234 632172501 /nfs/dbraw/zinc/17/25/01/632172501.db2.gz DTGHJCARVDGUCN-DLBZAZTESA-N 1 0 324.424 3.329 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1 ZINC000850501494 632173471 /nfs/dbraw/zinc/17/34/71/632173471.db2.gz NFXQZQFZKLKQEA-JQVVKUFUSA-N 1 0 322.518 3.483 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(N(C)C)cc1 ZINC000850503124 632173557 /nfs/dbraw/zinc/17/35/57/632173557.db2.gz ULOSYEHWYMGLSQ-XNGFIGEISA-N 1 0 322.518 3.483 20 10 DGCDRO COCc1csc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000850533129 632183509 /nfs/dbraw/zinc/18/35/09/632183509.db2.gz RBVOANRZXIOIIF-LLVKDONJSA-N 1 0 307.415 3.460 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3cc(F)ccc3C2)c1 ZINC000850536091 632184826 /nfs/dbraw/zinc/18/48/26/632184826.db2.gz BREUQXCGFAPQEO-FZMZJTMJSA-N 1 0 317.360 3.194 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000850541153 632186642 /nfs/dbraw/zinc/18/66/42/632186642.db2.gz SMIQWOOIPHODIF-QILLFSRXSA-N 1 0 313.445 3.496 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2)c1O ZINC000850538664 632187346 /nfs/dbraw/zinc/18/73/46/632187346.db2.gz JQIFLJISWVTSLR-GJZGRUSLSA-N 1 0 318.461 3.458 20 10 DGCDRO C[C@@H]([NH2+]CC1CCC(O)CC1)c1cc2c(cc1O)CCCC2 ZINC000850554049 632191091 /nfs/dbraw/zinc/19/10/91/632191091.db2.gz HIQNPKDUHHNWLT-TUBUQKNSSA-N 1 0 303.446 3.473 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000850568468 632196744 /nfs/dbraw/zinc/19/67/44/632196744.db2.gz YGSULQQUESMBKE-PMACEKPBSA-N 1 0 314.473 3.316 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c1O ZINC000850571760 632198604 /nfs/dbraw/zinc/19/86/04/632198604.db2.gz AFCMEQVGFSMWCF-GRDNDAEWSA-N 1 0 315.413 3.216 20 10 DGCDRO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000109772383 632316437 /nfs/dbraw/zinc/31/64/37/632316437.db2.gz ZMUSEVIFGKCLHB-OAHLLOKOSA-N 1 0 312.413 3.044 20 10 DGCDRO Cc1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)o1 ZINC000851841149 632506986 /nfs/dbraw/zinc/50/69/86/632506986.db2.gz NKRVWBNBKBJCAR-INIZCTEOSA-N 1 0 316.401 3.178 20 10 DGCDRO CC1(C)OC[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)O1 ZINC000851841381 632507073 /nfs/dbraw/zinc/50/70/73/632507073.db2.gz PZQRCBLGCLBNCI-MRXNPFEDSA-N 1 0 317.385 3.139 20 10 DGCDRO Cc1cc(C[N@H+](C)[C@H](CO)Cc2ccccc2)ccc1N(C)C ZINC000852287853 632581356 /nfs/dbraw/zinc/58/13/56/632581356.db2.gz IAMNQQFRPOFQTA-IBGZPJMESA-N 1 0 312.457 3.096 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000852499930 632611651 /nfs/dbraw/zinc/61/16/51/632611651.db2.gz CIKJBHVTVCKKCZ-YRWFTTLQSA-N 1 0 316.489 3.434 20 10 DGCDRO OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000184789148 660186474 /nfs/dbraw/zinc/18/64/74/660186474.db2.gz CETKAZHHNRVLDK-SFHVURJKSA-N 1 0 315.388 3.304 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)c(O)c1 ZINC000185252745 660211445 /nfs/dbraw/zinc/21/14/45/660211445.db2.gz MTPYJOUTWIYSLH-OAHLLOKOSA-N 1 0 312.413 3.058 20 10 DGCDRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C2 ZINC000185334936 660215595 /nfs/dbraw/zinc/21/55/95/660215595.db2.gz LRPKKCKUJSHTPG-FZMZJTMJSA-N 1 0 317.360 3.194 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000185538852 660228676 /nfs/dbraw/zinc/22/86/76/660228676.db2.gz XWFKHFQTLDZSAN-ZQIUZPCESA-N 1 0 303.446 3.473 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000174007966 659409507 /nfs/dbraw/zinc/40/95/07/659409507.db2.gz SEXPYJUXNPIKLN-HZPDHXFCSA-N 1 0 311.429 3.330 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000174007945 659409771 /nfs/dbraw/zinc/40/97/71/659409771.db2.gz SEXPYJUXNPIKLN-CVEARBPZSA-N 1 0 311.429 3.330 20 10 DGCDRO Cc1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000072953296 660232043 /nfs/dbraw/zinc/23/20/43/660232043.db2.gz LSWRUNCOXQRTIX-UHFFFAOYSA-N 1 0 310.441 3.464 20 10 DGCDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cc(F)ccc1O ZINC000185647605 660235383 /nfs/dbraw/zinc/23/53/83/660235383.db2.gz OQWPFQXGJGXHNI-CYBMUJFWSA-N 1 0 320.383 3.453 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c1 ZINC000186094603 660266356 /nfs/dbraw/zinc/26/63/56/660266356.db2.gz ZMQJCNWMFPZOPS-ASSNKEHSSA-N 1 0 303.427 3.289 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1cc(F)ccc1O ZINC000186230791 660350545 /nfs/dbraw/zinc/35/05/45/660350545.db2.gz CAVVEUFUNNVVMQ-OCCSQVGLSA-N 1 0 309.381 3.258 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C=C(C)C)C2)cc1C ZINC000998452250 660389662 /nfs/dbraw/zinc/38/96/62/660389662.db2.gz IGWQLULKMXBLDL-QGZVFWFLSA-N 1 0 316.445 3.050 20 10 DGCDRO C/C=C(/C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998880483 660400986 /nfs/dbraw/zinc/40/09/86/660400986.db2.gz IBLIMPBJNMTIHV-UOJXKXAVSA-N 1 0 316.445 3.050 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)[C@H](C)C1 ZINC000701177181 660659111 /nfs/dbraw/zinc/65/91/11/660659111.db2.gz WVAPNVQTXUFZAE-ZWNOBZJWSA-N 1 0 314.223 3.154 20 10 DGCDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000701914413 660691512 /nfs/dbraw/zinc/69/15/12/660691512.db2.gz FPVZLLLBCOQPSA-OCCSQVGLSA-N 1 0 320.433 3.225 20 10 DGCDRO C/C=C(/C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001034899725 660803373 /nfs/dbraw/zinc/80/33/73/660803373.db2.gz SEESYWZKVSGWDA-OTMHGDBASA-N 1 0 316.445 3.050 20 10 DGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)[C@H]1CCCOC1 ZINC000706808399 660873354 /nfs/dbraw/zinc/87/33/54/660873354.db2.gz LVEZIJANXVGAMG-QWRGUYRKSA-N 1 0 314.223 3.059 20 10 DGCDRO CCC[C@H](C[NH2+]Cc1c(O)cccc1Br)OC ZINC000706835047 660874122 /nfs/dbraw/zinc/87/41/22/660874122.db2.gz KLDCYWFKTJYOOG-SNVBAGLBSA-N 1 0 302.212 3.059 20 10 DGCDRO Cc1ccc(CC[NH2+]Cc2c(O)cccc2Br)nc1 ZINC000706863897 660875141 /nfs/dbraw/zinc/87/51/41/660875141.db2.gz YRROQQGNGNPMQF-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO CC[C@](C)(C[NH2+]Cc1c(O)cccc1Br)OC ZINC000706872233 660875821 /nfs/dbraw/zinc/87/58/21/660875821.db2.gz OKURGNQMOMSVMO-CYBMUJFWSA-N 1 0 302.212 3.059 20 10 DGCDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706871994 660875885 /nfs/dbraw/zinc/87/58/85/660875885.db2.gz BAZPFESCJROXGZ-KCJUWKMLSA-N 1 0 302.237 3.138 20 10 DGCDRO CC[N@@H+](Cc1c(O)cccc1Br)C[C@H]1CCCO1 ZINC000707145017 660890129 /nfs/dbraw/zinc/89/01/29/660890129.db2.gz FFGKDESYSFTOPB-LLVKDONJSA-N 1 0 314.223 3.156 20 10 DGCDRO CCO[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707145814 660887154 /nfs/dbraw/zinc/88/71/54/660887154.db2.gz HPNQETCYJQMENT-LLVKDONJSA-N 1 0 314.223 3.156 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCCO1 ZINC000707145854 660888193 /nfs/dbraw/zinc/88/81/93/660888193.db2.gz JDWOBVOGPCFNKE-LLVKDONJSA-N 1 0 314.223 3.156 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000707145878 660888273 /nfs/dbraw/zinc/88/82/73/660888273.db2.gz JXXXQSSRYVBIEZ-WDEREUQCSA-N 1 0 314.223 3.154 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCCO1 ZINC000707145855 660888375 /nfs/dbraw/zinc/88/83/75/660888375.db2.gz JDWOBVOGPCFNKE-NSHDSACASA-N 1 0 314.223 3.156 20 10 DGCDRO COC[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707147016 660893693 /nfs/dbraw/zinc/89/36/93/660893693.db2.gz RUYURMBDRVLICL-NSHDSACASA-N 1 0 314.223 3.013 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(F)cc2C)cc1OC ZINC000792708017 660980760 /nfs/dbraw/zinc/98/07/60/660980760.db2.gz RJLVMYNCWIDTEU-UHFFFAOYSA-N 1 0 319.376 3.489 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCCO1 ZINC000792805522 660985996 /nfs/dbraw/zinc/98/59/96/660985996.db2.gz IAMSZBZKXOCHQC-GFCCVEGCSA-N 1 0 316.367 3.382 20 10 DGCDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793073605 661003766 /nfs/dbraw/zinc/00/37/66/661003766.db2.gz LXMCFXPLMKUIBJ-NHYWBVRUSA-N 1 0 316.367 3.429 20 10 DGCDRO COCC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792951987 660996408 /nfs/dbraw/zinc/99/64/08/660996408.db2.gz NDZXLSPUXVHGOY-LLVKDONJSA-N 1 0 304.356 3.286 20 10 DGCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793083290 661004025 /nfs/dbraw/zinc/00/40/25/661004025.db2.gz BRXDPUWQVCNKMO-IHVVCDCBSA-N 1 0 316.367 3.188 20 10 DGCDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792977524 660998189 /nfs/dbraw/zinc/99/81/89/660998189.db2.gz XZKRAIHRLKSZSQ-ABAIWWIYSA-N 1 0 318.383 3.268 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2(O)CCCC2)c(C(F)(F)F)c1 ZINC000792980395 660998454 /nfs/dbraw/zinc/99/84/54/660998454.db2.gz BAZROIDAMRGYOW-UHFFFAOYSA-N 1 0 316.367 3.166 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCSC2)c(C(F)(F)F)c1 ZINC000793002546 660999677 /nfs/dbraw/zinc/99/96/77/660999677.db2.gz AKPFTGVAUDPQDJ-LLVKDONJSA-N 1 0 304.381 3.367 20 10 DGCDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000793347293 661025911 /nfs/dbraw/zinc/02/59/11/661025911.db2.gz RWXPPCUQACYHQJ-GJZGRUSLSA-N 1 0 306.425 3.188 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cnc3n2CCCC3)c2c1c(F)ccc2O ZINC000793566236 661046358 /nfs/dbraw/zinc/04/63/58/661046358.db2.gz SPQDRZPCXPHACJ-SMDDNHRTSA-N 1 0 315.392 3.402 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1 ZINC000793573604 661046974 /nfs/dbraw/zinc/04/69/74/661046974.db2.gz RSZBLRLJUGLPSM-LBPRGKRZSA-N 1 0 311.385 3.170 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c1 ZINC000793607018 661049556 /nfs/dbraw/zinc/04/95/56/661049556.db2.gz YRCDXEUZBVRAIB-ZDUSSCGKSA-N 1 0 308.422 3.094 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793612064 661049822 /nfs/dbraw/zinc/04/98/22/661049822.db2.gz IZIKSCIWSROINQ-KGLIPLIRSA-N 1 0 316.228 3.417 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c1 ZINC000793619018 661050607 /nfs/dbraw/zinc/05/06/07/661050607.db2.gz AUVNTMFCYRUBRS-IBGZPJMESA-N 1 0 310.441 3.059 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(C)cc1O ZINC000794794877 661105655 /nfs/dbraw/zinc/10/56/55/661105655.db2.gz RQOAHUCEXTUOOO-YJBOKZPZSA-N 1 0 315.413 3.181 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(C)cc1O ZINC000794794875 661105733 /nfs/dbraw/zinc/10/57/33/661105733.db2.gz RQOAHUCEXTUOOO-MAUKXSAKSA-N 1 0 315.413 3.181 20 10 DGCDRO CC[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(C)cc1O ZINC000794802857 661106193 /nfs/dbraw/zinc/10/61/93/661106193.db2.gz OYJYUSDNPVXCMJ-NVXWUHKLSA-N 1 0 307.434 3.185 20 10 DGCDRO CC[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(C)cc1O ZINC000794812557 661106727 /nfs/dbraw/zinc/10/67/27/661106727.db2.gz XECGYDGJJHPUAP-QGZVFWFLSA-N 1 0 312.413 3.083 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(C)cc1O ZINC000794815727 661107116 /nfs/dbraw/zinc/10/71/16/661107116.db2.gz LDKMQLQDFWQSMV-WBVHZDCISA-N 1 0 319.445 3.470 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000795666929 661166281 /nfs/dbraw/zinc/16/62/81/661166281.db2.gz JRQBOHQKBDZWPM-KRWDZBQOSA-N 1 0 308.385 3.391 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000795666933 661166341 /nfs/dbraw/zinc/16/63/41/661166341.db2.gz JRQBOHQKBDZWPM-QGZVFWFLSA-N 1 0 308.385 3.391 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000795671428 661166663 /nfs/dbraw/zinc/16/66/63/661166663.db2.gz VKKNRYLPNJUKSK-OAHLLOKOSA-N 1 0 301.390 3.160 20 10 DGCDRO COc1cc(C[N@@H+]2CCOc3ccc(C)cc3C2)c(O)cc1C ZINC000795710852 661169028 /nfs/dbraw/zinc/16/90/28/661169028.db2.gz ODLXCSRPXUWVMV-UHFFFAOYSA-N 1 0 313.397 3.412 20 10 DGCDRO CC[C@H]([NH2+][C@H](CC(=O)NC)c1ccccc1)c1ccccc1O ZINC000795849700 661175787 /nfs/dbraw/zinc/17/57/87/661175787.db2.gz QCSJXJNRQWSBJS-DLBZAZTESA-N 1 0 312.413 3.310 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCOC[C@@H]2CCOC2)cc1 ZINC000158128801 655773985 /nfs/dbraw/zinc/77/39/85/655773985.db2.gz DRCSLCSGLHDJCZ-SJORKVTESA-N 1 0 320.477 3.237 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000161256854 655775599 /nfs/dbraw/zinc/77/55/99/655775599.db2.gz MIIVAVRJNRRVQY-MRXNPFEDSA-N 1 0 311.429 3.077 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000724912002 655827920 /nfs/dbraw/zinc/82/79/20/655827920.db2.gz GWYOWXFCOZZJSA-KBPBESRZSA-N 1 0 320.433 3.361 20 10 DGCDRO CC[C@H]([NH2+]Cc1cncn1C)c1cc(Br)ccc1O ZINC000289627983 655907578 /nfs/dbraw/zinc/90/75/78/655907578.db2.gz FBPOODFQQXIOQF-ZDUSSCGKSA-N 1 0 324.222 3.129 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CCOC1 ZINC000163622026 655970387 /nfs/dbraw/zinc/97/03/87/655970387.db2.gz XCOXOQSGRFMOFT-WMZOPIPTSA-N 1 0 320.502 3.145 20 10 DGCDRO OC[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000293906648 656055769 /nfs/dbraw/zinc/05/57/69/656055769.db2.gz FTOQMUBUZWASIP-SFHVURJKSA-N 1 0 302.462 3.271 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nncn2-c2ccccc2)c1 ZINC000184999707 656123030 /nfs/dbraw/zinc/12/30/30/656123030.db2.gz POZGMVIISKZGPB-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 ZINC000190342663 656160444 /nfs/dbraw/zinc/16/04/44/656160444.db2.gz QYSDNRPZCWFSNK-OAHLLOKOSA-N 1 0 318.461 3.337 20 10 DGCDRO C[C@H]([NH2+]CCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000123429478 656179360 /nfs/dbraw/zinc/17/93/60/656179360.db2.gz QTTDSMAGBVWIEW-KRWDZBQOSA-N 1 0 310.441 3.417 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000123776982 656183165 /nfs/dbraw/zinc/18/31/65/656183165.db2.gz FUESMJNXINTTJV-ZDUSSCGKSA-N 1 0 319.445 3.396 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000724943319 656530707 /nfs/dbraw/zinc/53/07/07/656530707.db2.gz NPUORPFEHXCHDU-OLZOCXBDSA-N 1 0 306.406 3.052 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(Cl)c1 ZINC000840945996 656580882 /nfs/dbraw/zinc/58/08/82/656580882.db2.gz FELNHNXLAMFXCT-CJNGLKHVSA-N 1 0 308.853 3.413 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000319775704 656676651 /nfs/dbraw/zinc/67/66/51/656676651.db2.gz LPBGPKHPOWEYLH-CQSZACIVSA-N 1 0 318.461 3.388 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@](C)(CC)CC(=O)OC)cc1 ZINC000236908923 656980872 /nfs/dbraw/zinc/98/08/72/656980872.db2.gz ZDHMOFYTAOBROA-GOSISDBHSA-N 1 0 306.450 3.354 20 10 DGCDRO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000320028283 657343185 /nfs/dbraw/zinc/34/31/85/657343185.db2.gz GUSMRWAAKKFMNM-ZDUSSCGKSA-N 1 0 312.413 3.207 20 10 DGCDRO CCC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1ccccc1O ZINC000303129823 657517373 /nfs/dbraw/zinc/51/73/73/657517373.db2.gz BSGGWCYJNCWPKT-MRXNPFEDSA-N 1 0 320.477 3.497 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667788 657606369 /nfs/dbraw/zinc/60/63/69/657606369.db2.gz NYMJNZBFCOPNNC-OLZOCXBDSA-N 1 0 315.244 3.415 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H]3C[C@H](C)O)c2c1 ZINC000305274154 657699324 /nfs/dbraw/zinc/69/93/24/657699324.db2.gz ZRMUCZXKQQXOJR-DZGCQCFKSA-N 1 0 315.413 3.289 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C=C(C)C)[C@H]2C)cc1C ZINC000985919217 657921793 /nfs/dbraw/zinc/92/17/93/657921793.db2.gz CLRMCYOZBIXQLH-DOTOQJQBSA-N 1 0 316.445 3.049 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000305779200 658042583 /nfs/dbraw/zinc/04/25/83/658042583.db2.gz RKIGPVSGZJLSCR-DIFFPNOSSA-N 1 0 321.804 3.438 20 10 DGCDRO CCC(=O)N(C)C1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000962947367 658145302 /nfs/dbraw/zinc/14/53/02/658145302.db2.gz TUMCXCSBMMVKOY-UHFFFAOYSA-N 1 0 318.461 3.273 20 10 DGCDRO Cc1ncccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000237352668 658357622 /nfs/dbraw/zinc/35/76/22/658357622.db2.gz DAFZLZYGPWYKPV-OAHLLOKOSA-N 1 0 311.429 3.077 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000237470737 658409544 /nfs/dbraw/zinc/40/95/44/658409544.db2.gz LJDUPBAGUIOJFZ-UHFFFAOYSA-N 1 0 311.429 3.370 20 10 DGCDRO C[C@@H]1CCC[C@](C[NH2+]Cc2ccc3c(c2)CCO3)(N(C)C)C1 ZINC000237527918 658785514 /nfs/dbraw/zinc/78/55/14/658785514.db2.gz MZGNJJGDOXKLQM-BEFAXECRSA-N 1 0 302.462 3.222 20 10 DGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C12CCC2 ZINC000164512448 658936661 /nfs/dbraw/zinc/93/66/61/658936661.db2.gz CQSSEINRYDDPJN-IAGOWNOFSA-N 1 0 319.445 3.489 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)Cc2cccc(N(C)C)c2)c1O ZINC000164533455 658937190 /nfs/dbraw/zinc/93/71/90/658937190.db2.gz ZOUDKLBEOZAEAX-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1O ZINC000224811631 659033075 /nfs/dbraw/zinc/03/30/75/659033075.db2.gz ADUKEBVGUDMVOU-HNNXBMFYSA-N 1 0 322.449 3.340 20 10 DGCDRO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)C(C)C ZINC000170929065 659248766 /nfs/dbraw/zinc/24/87/66/659248766.db2.gz JCCNVLSRSQCLGF-INIZCTEOSA-N 1 0 319.493 3.077 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2(O)CCCCCC2)ccc1OC ZINC000172215930 659323451 /nfs/dbraw/zinc/32/34/51/659323451.db2.gz VGYAUHIKUIWCDZ-UHFFFAOYSA-N 1 0 321.461 3.407 20 10 DGCDRO Cc1cnc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000230686939 659346164 /nfs/dbraw/zinc/34/61/64/659346164.db2.gz SLVINHCKRGRSJU-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](SC)C2)c1O ZINC000230935002 659357615 /nfs/dbraw/zinc/35/76/15/659357615.db2.gz QHPLAPLMDYHWSZ-RYUDHWBXSA-N 1 0 301.839 3.428 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](N4CC=CC4)C3)c2c1 ZINC000172932104 659364411 /nfs/dbraw/zinc/36/44/11/659364411.db2.gz CWBYJFDMEBYNOI-MRXNPFEDSA-N 1 0 324.424 3.000 20 10 DGCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000324320313 659656139 /nfs/dbraw/zinc/65/61/39/659656139.db2.gz UMCXEFFQYVRHSZ-GOSISDBHSA-N 1 0 317.477 3.009 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)CCOc2ccc(F)cc2)c1 ZINC000179619816 659935833 /nfs/dbraw/zinc/93/58/33/659935833.db2.gz NGHRJZIDPILQMK-UHFFFAOYSA-N 1 0 305.349 3.051 20 10 DGCDRO CCN(CC)C(=O)C1([NH2+]Cc2cc(F)ccc2O)CCCCC1 ZINC000180404803 659961381 /nfs/dbraw/zinc/96/13/81/659961381.db2.gz KQNPFOXRMGDYPG-UHFFFAOYSA-N 1 0 322.424 3.192 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1 ZINC000068973689 659970888 /nfs/dbraw/zinc/97/08/88/659970888.db2.gz BGKYKXYVSIHNFQ-KRWDZBQOSA-N 1 0 315.413 3.044 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOCC(F)(F)F)c1 ZINC000182367613 660048179 /nfs/dbraw/zinc/04/81/79/660048179.db2.gz SNSDPLYGINFTIZ-JTQLQIEISA-N 1 0 307.312 3.020 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000182408911 660051324 /nfs/dbraw/zinc/05/13/24/660051324.db2.gz VKQQRSOSCRBFHJ-ZDUSSCGKSA-N 1 0 312.369 3.002 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000183633832 660128122 /nfs/dbraw/zinc/12/81/22/660128122.db2.gz JJXAZJNFMUQFJJ-IUODEOHRSA-N 1 0 320.433 3.346 20 10 DGCDRO C[C@H]([NH2+]CCC1(C)OCCO1)c1ccc(N2CCCCC2)cc1 ZINC000183898467 660146150 /nfs/dbraw/zinc/14/61/50/660146150.db2.gz JIHNSAISJDXHGD-INIZCTEOSA-N 1 0 318.461 3.481 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)CCOCc1ccccc1)c1ccccc1O ZINC000931555591 661488238 /nfs/dbraw/zinc/48/82/38/661488238.db2.gz YXPCELQOIFNYBM-RDJZCZTQSA-N 1 0 315.413 3.011 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1 ZINC000932136392 661541174 /nfs/dbraw/zinc/54/11/74/661541174.db2.gz MNYKJWCSQBWGPT-QGZVFWFLSA-N 1 0 312.461 3.256 20 10 DGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)nc1 ZINC000934342953 661699517 /nfs/dbraw/zinc/69/95/17/661699517.db2.gz FBOLLIFLIZCVDB-LJQANCHMSA-N 1 0 311.429 3.493 20 10 DGCDRO CC[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccccc1O ZINC000155961091 661855649 /nfs/dbraw/zinc/85/56/49/661855649.db2.gz AMSDEUQNKPFTQV-QGZVFWFLSA-N 1 0 307.434 3.266 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(N2CCOCC2)cc1 ZINC000187868919 661905809 /nfs/dbraw/zinc/90/58/09/661905809.db2.gz CPGIAKYEWBANMJ-MAUKXSAKSA-N 1 0 318.461 3.131 20 10 DGCDRO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccccc1O ZINC000188519559 661934082 /nfs/dbraw/zinc/93/40/82/661934082.db2.gz WBJHJSFVNCFZOT-GFCCVEGCSA-N 1 0 316.367 3.317 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000189991818 662000656 /nfs/dbraw/zinc/00/06/56/662000656.db2.gz JJVJCXZFGHKROJ-LJQANCHMSA-N 1 0 316.445 3.204 20 10 DGCDRO CC(C)(C)c1cc(C[NH2+]C2(C(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000191488779 662069133 /nfs/dbraw/zinc/06/91/33/662069133.db2.gz AHRCSHBGGZMCPI-UHFFFAOYSA-N 1 0 318.461 3.095 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c1 ZINC000191713134 662078925 /nfs/dbraw/zinc/07/89/25/662078925.db2.gz CDHRLTUVOSIRGO-UZLBHIALSA-N 1 0 313.441 3.420 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1 ZINC000191713122 662079076 /nfs/dbraw/zinc/07/90/76/662079076.db2.gz CDHRLTUVOSIRGO-OXQOHEQNSA-N 1 0 313.441 3.420 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)c(O)c1 ZINC000192902469 662115303 /nfs/dbraw/zinc/11/53/03/662115303.db2.gz VCDFDXVICOPTTA-AWEZNQCLSA-N 1 0 313.397 3.365 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCCc2ccc3c(c2)CCO3)c1 ZINC000193295480 662129799 /nfs/dbraw/zinc/12/97/99/662129799.db2.gz PTZSEXCTJVQNAU-UHFFFAOYSA-N 1 0 313.397 3.058 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000246502230 662262426 /nfs/dbraw/zinc/26/24/26/662262426.db2.gz SPZFODGSSWFYRY-ZBFHGGJFSA-N 1 0 317.477 3.193 20 10 DGCDRO CCOc1cccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1O ZINC000092218875 662328682 /nfs/dbraw/zinc/32/86/82/662328682.db2.gz MZBCIEZUMZNVNV-QGZVFWFLSA-N 1 0 318.461 3.241 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1N1CCOCC1 ZINC000092485615 662332118 /nfs/dbraw/zinc/33/21/18/662332118.db2.gz DLDFXIVSLVDDEZ-WMZOPIPTSA-N 1 0 318.436 3.427 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)c1 ZINC000248519044 662351333 /nfs/dbraw/zinc/35/13/33/662351333.db2.gz QHJRZWMKNJTLHB-KSMMKXTCSA-N 1 0 315.413 3.044 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(Br)cc1O ZINC000381433307 685158082 /nfs/dbraw/zinc/15/80/82/685158082.db2.gz BZEUXDDGOLEIIV-WCBMZHEXSA-N 1 0 302.237 3.311 20 10 DGCDRO CC[N@@H+](Cc1cc(Br)cc(C)c1O)C[C@@H](C)OC ZINC000383337928 685166170 /nfs/dbraw/zinc/16/61/70/685166170.db2.gz HAUXVBMXDKEVEG-LLVKDONJSA-N 1 0 316.239 3.320 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCCCC1CCOCC1 ZINC000389589593 685194660 /nfs/dbraw/zinc/19/46/60/685194660.db2.gz ZNIGTTPZRNLQBK-UHFFFAOYSA-N 1 0 302.462 3.495 20 10 DGCDRO C[C@@H]1[C@H](NC(=O)Nc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000393845037 685219056 /nfs/dbraw/zinc/21/90/56/685219056.db2.gz CLTXCVYNUUYLAO-RDTXWAMCSA-N 1 0 324.428 3.053 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000395688431 685226299 /nfs/dbraw/zinc/22/62/99/685226299.db2.gz SAIWHLDQJMNDLT-KRWDZBQOSA-N 1 0 319.493 3.125 20 10 DGCDRO CC[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000397788721 685232099 /nfs/dbraw/zinc/23/20/99/685232099.db2.gz AABMZCCFBRUTSL-OAHLLOKOSA-N 1 0 320.433 3.300 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000397858750 685233260 /nfs/dbraw/zinc/23/32/60/685233260.db2.gz DGTVJMDMOSDETP-ZDUSSCGKSA-N 1 0 320.433 3.218 20 10 DGCDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001576972540 1191877813 /nfs/dbraw/zinc/87/78/13/1191877813.db2.gz VWXBLBPIMJIDKM-RDTXWAMCSA-N 1 0 317.477 3.007 20 10 DGCDRO Cc1c(Br)cncc1C[NH2+]Cc1ccc(N)cc1 ZINC001579520098 1191978526 /nfs/dbraw/zinc/97/85/26/1191978526.db2.gz WSCACKBEWATRFQ-UHFFFAOYSA-N 1 0 306.207 3.025 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nccc2c1CCCC2 ZINC001580340258 1192022732 /nfs/dbraw/zinc/02/27/32/1192022732.db2.gz PRGMRMUXIPNXQQ-UHFFFAOYSA-N 1 0 307.441 3.372 20 10 DGCDRO Nc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001580445447 1192027286 /nfs/dbraw/zinc/02/72/86/1192027286.db2.gz DNXQGPONFGHNHZ-UHFFFAOYSA-N 1 0 305.765 3.163 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH+]1CCC([C@@H]2[NH2+]CC23CCC3)CC1 ZINC001580886110 1192043926 /nfs/dbraw/zinc/04/39/26/1192043926.db2.gz YFKQDFHWOMPFBD-KRWDZBQOSA-N 1 0 322.399 3.025 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cn3ccccc3n2)cc1 ZINC001620699230 1192070067 /nfs/dbraw/zinc/07/00/67/1192070067.db2.gz IEYDGLOVIBUIFM-WAYWQWQTSA-N 1 0 306.413 3.203 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@]2(N(C)C)CCSC2)cc1C ZINC001620824968 1192207384 /nfs/dbraw/zinc/20/73/84/1192207384.db2.gz WYLCIOYTTYEBNQ-SFHVURJKSA-N 1 0 322.518 3.311 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1O ZINC001590461318 1192510404 /nfs/dbraw/zinc/51/04/04/1192510404.db2.gz AWAUSKYHOHZLOS-BLLLJJGKSA-N 1 0 323.400 3.374 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1O ZINC001590461321 1192511050 /nfs/dbraw/zinc/51/10/50/1192511050.db2.gz AWAUSKYHOHZLOS-WBMJQRKESA-N 1 0 323.400 3.374 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCC23CCOCC3)cc1F ZINC001331521734 1178233181 /nfs/dbraw/zinc/23/31/81/1178233181.db2.gz XTDGWLUBWUSLLL-QGZVFWFLSA-N 1 0 324.415 3.470 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1O ZINC001331554646 1178245241 /nfs/dbraw/zinc/24/52/41/1178245241.db2.gz WPGWJXFUWBJINM-UHFFFAOYSA-N 1 0 314.429 3.373 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC001331931718 1178312166 /nfs/dbraw/zinc/31/21/66/1178312166.db2.gz ASHILYUVRJOXJY-VNQPRFMTSA-N 1 0 315.413 3.283 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC[C@@H]1CCOC1=O ZINC001332276935 1178410541 /nfs/dbraw/zinc/41/05/41/1178410541.db2.gz LAFBRSBDCOSMFN-MCIONIFRSA-N 1 0 303.402 3.182 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H](F)C3)cc2)CC1 ZINC001333368881 1178595944 /nfs/dbraw/zinc/59/59/44/1178595944.db2.gz NJFGHPBGTNPFPA-HOTGVXAUSA-N 1 0 306.425 3.018 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccn3C3CC3)C2)cc1 ZINC001333562463 1178627490 /nfs/dbraw/zinc/62/74/90/1178627490.db2.gz MACPRFSVESUOBF-OAHLLOKOSA-N 1 0 311.429 3.200 20 10 DGCDRO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001333782303 1178672976 /nfs/dbraw/zinc/67/29/76/1178672976.db2.gz UYXZXJKUEPZFMV-GOSISDBHSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1ccc(NCC[NH2+]Cc2ccc(N3CCCC3)cc2)nc1 ZINC001334332373 1178750485 /nfs/dbraw/zinc/75/04/85/1178750485.db2.gz ZYARGHIMDNANDB-UHFFFAOYSA-N 1 0 310.445 3.192 20 10 DGCDRO Cn1ccc([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001335505668 1178923237 /nfs/dbraw/zinc/92/32/37/1178923237.db2.gz DQRIFHBHURGYLG-SFHVURJKSA-N 1 0 324.472 3.400 20 10 DGCDRO CCc1ccc2c(c1)CCN2C(=O)c1cccc2c1CC[NH2+]C2 ZINC001341546701 1179026156 /nfs/dbraw/zinc/02/61/56/1179026156.db2.gz KGLJYBOMUKKAHZ-UHFFFAOYSA-N 1 0 306.409 3.098 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2c(F)cccc2OC)c(O)c1 ZINC001343307564 1179254204 /nfs/dbraw/zinc/25/42/04/1179254204.db2.gz ZNMUNEAJCDGJJP-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC001343973320 1179359371 /nfs/dbraw/zinc/35/93/71/1179359371.db2.gz UNSVZCBPSRZWNG-UHFFFAOYSA-N 1 0 316.445 3.016 20 10 DGCDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(N)cc1)c1ccccc1 ZINC001345159283 1179535958 /nfs/dbraw/zinc/53/59/58/1179535958.db2.gz FCOCRXCDRMUYKR-SFHVURJKSA-N 1 0 312.413 3.441 20 10 DGCDRO Fc1cc(C[NH2+]CCC[C@@H]2C=CCC2)ccc1N1CCOCC1 ZINC001621053698 1192975326 /nfs/dbraw/zinc/97/53/26/1192975326.db2.gz GEHONTBSAONITP-MRXNPFEDSA-N 1 0 318.436 3.498 20 10 DGCDRO COC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C)C1CCOCC1 ZINC001346869373 1179757775 /nfs/dbraw/zinc/75/77/75/1179757775.db2.gz QYXJJYZIGCBSJN-BPUTZDHNSA-N 1 0 319.445 3.280 20 10 DGCDRO C[C@]1(C2CC2)C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001350592650 1180090797 /nfs/dbraw/zinc/09/07/97/1180090797.db2.gz BBMJQWWLBVHSKH-LJQANCHMSA-N 1 0 300.446 3.288 20 10 DGCDRO Nc1ccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC001352791655 1180400181 /nfs/dbraw/zinc/40/01/81/1180400181.db2.gz YYNLXMUEMCOVCE-UHFFFAOYSA-N 1 0 310.441 3.086 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@](C)(O)c1ccccc1 ZINC001200526924 1180700683 /nfs/dbraw/zinc/70/06/83/1180700683.db2.gz YQKSOIFCBTVKBE-FQEVSTJZSA-N 1 0 308.425 3.484 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](CO)c1ccccc1 ZINC001200812507 1180929713 /nfs/dbraw/zinc/92/97/13/1180929713.db2.gz OYLOXZHPJVCWSI-QGZVFWFLSA-N 1 0 308.425 3.352 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCc2cc(Cl)ccc21 ZINC001355389899 1181049123 /nfs/dbraw/zinc/04/91/23/1181049123.db2.gz JRGJJCPSQCTFAY-UHFFFAOYSA-N 1 0 314.816 3.305 20 10 DGCDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC001449563838 1182230333 /nfs/dbraw/zinc/23/03/33/1182230333.db2.gz OXKPTHDYNXNZAU-UHFFFAOYSA-N 1 0 324.490 3.426 20 10 DGCDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC001460080760 1182649226 /nfs/dbraw/zinc/64/92/26/1182649226.db2.gz FZNUMBXOAQJKHJ-GJZGRUSLSA-N 1 0 311.422 3.498 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1F ZINC001461233001 1182783205 /nfs/dbraw/zinc/78/32/05/1182783205.db2.gz SYEVTDHLHYONDL-GOEBONIOSA-N 1 0 308.441 3.313 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](CC)[C@H](O)C(F)F)cc1C ZINC001461537864 1182826021 /nfs/dbraw/zinc/82/60/21/1182826021.db2.gz JBKHKWZUSPCDQQ-HIFRSBDPSA-N 1 0 301.377 3.278 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)cc1C ZINC001461537852 1182826092 /nfs/dbraw/zinc/82/60/92/1182826092.db2.gz JBKHKWZUSPCDQQ-DZGCQCFKSA-N 1 0 301.377 3.278 20 10 DGCDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001461726632 1182845868 /nfs/dbraw/zinc/84/58/68/1182845868.db2.gz DCGHZHCXQJQHDA-WKILWMFISA-N 1 0 317.429 3.222 20 10 DGCDRO COc1ccc(C[NH2+]C2(C)CCC3(CC2)OCCO3)cc1C ZINC001461813440 1182859367 /nfs/dbraw/zinc/85/93/67/1182859367.db2.gz OYERFPSXPIADBG-UHFFFAOYSA-N 1 0 305.418 3.169 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC001462132658 1182913305 /nfs/dbraw/zinc/91/33/05/1182913305.db2.gz IAULTVGQXBZCHS-LBPRGKRZSA-N 1 0 311.809 3.272 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC2(O)CCC(C)(C)CC2)c1O ZINC001462453022 1182955059 /nfs/dbraw/zinc/95/50/59/1182955059.db2.gz KZFUTZJVPOTJOR-UHFFFAOYSA-N 1 0 307.434 3.130 20 10 DGCDRO c1ccc(CN2CCc3cc(C[NH2+]C4CSC4)ccc32)cc1 ZINC001462603253 1182974663 /nfs/dbraw/zinc/97/46/63/1182974663.db2.gz KRTBWHJBBJKLAQ-UHFFFAOYSA-N 1 0 310.466 3.454 20 10 DGCDRO COC(=O)c1c(C[N@H+](C)CC2CCC2)c2cc(F)ccc2n1C ZINC001462635508 1182978544 /nfs/dbraw/zinc/97/85/44/1182978544.db2.gz LMDVPKBHJNFEKC-UHFFFAOYSA-N 1 0 318.392 3.336 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)CC[NH+](C)C)cc1 ZINC001463775195 1183046055 /nfs/dbraw/zinc/04/60/55/1183046055.db2.gz HPZALXDATUEHII-INIZCTEOSA-N 1 0 319.493 3.079 20 10 DGCDRO CCC[NH+](CCC)CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001473909299 1183825696 /nfs/dbraw/zinc/82/56/96/1183825696.db2.gz XLMWRLNTNHOXDU-UHFFFAOYSA-N 1 0 300.393 3.272 20 10 DGCDRO CCC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1 ZINC001474037635 1183856037 /nfs/dbraw/zinc/85/60/37/1183856037.db2.gz LAHSTEDNKXCNQM-UHFFFAOYSA-N 1 0 319.468 3.247 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC001474080808 1183864334 /nfs/dbraw/zinc/86/43/34/1183864334.db2.gz GVBVJGDRTYKRBX-OAQYLSRUSA-N 1 0 320.436 3.410 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1F ZINC001474159480 1183875904 /nfs/dbraw/zinc/87/59/04/1183875904.db2.gz OZMKDKBSEKOKJS-KRWDZBQOSA-N 1 0 312.404 3.062 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2C[C@]2(C)Br)cc1 ZINC001474307432 1183902550 /nfs/dbraw/zinc/90/25/50/1183902550.db2.gz LXNVTJNSUGXOEJ-HIFRSBDPSA-N 1 0 311.267 3.358 20 10 DGCDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001474331044 1183904976 /nfs/dbraw/zinc/90/49/76/1183904976.db2.gz NOBHZDLSCLCYSF-OAHLLOKOSA-N 1 0 305.809 3.425 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c(O)c1 ZINC001474497816 1183931924 /nfs/dbraw/zinc/93/19/24/1183931924.db2.gz WMXFRKNGLHMGOS-OXJNMPFZSA-N 1 0 313.441 3.420 20 10 DGCDRO COC(=O)C[C@@H]1C[N@H+](Cc2cc(C(C)C)ccc2O)C[C@H]1C ZINC001474710471 1183965333 /nfs/dbraw/zinc/96/53/33/1183965333.db2.gz FNNXNZLKYOOUQA-UKRRQHHQSA-N 1 0 305.418 3.147 20 10 DGCDRO CC[C@@H](C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001616858752 1193549610 /nfs/dbraw/zinc/54/96/10/1193549610.db2.gz SLEUARWQWJGAPT-QAPCUYQASA-N 1 0 319.493 3.298 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCCC2(C)C)cc1 ZINC001560502644 1189334123 /nfs/dbraw/zinc/33/41/23/1189334123.db2.gz VIMDUUBRZGNIMR-UHFFFAOYSA-N 1 0 303.494 3.497 20 10 DGCDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001560598243 1189346333 /nfs/dbraw/zinc/34/63/33/1189346333.db2.gz SEBPUJZLJVXDIG-OXQOHEQNSA-N 1 0 322.452 3.374 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3nonc3c2)cc1 ZINC001560612541 1189347871 /nfs/dbraw/zinc/34/78/71/1189347871.db2.gz PGWJITKTLHMHHE-UHFFFAOYSA-N 1 0 310.401 3.359 20 10 DGCDRO C[S@](=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001560611274 1189348303 /nfs/dbraw/zinc/34/83/03/1189348303.db2.gz SNBKSUQURJCFSD-ZJBJCVSYSA-N 1 0 320.502 3.066 20 10 DGCDRO CC[C@@](C)(C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001560648746 1189355846 /nfs/dbraw/zinc/35/58/46/1189355846.db2.gz VGHAJLQCBJRSMB-SFHVURJKSA-N 1 0 306.450 3.022 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC001560672105 1189357975 /nfs/dbraw/zinc/35/79/75/1189357975.db2.gz WPJBAXMSMLYFKG-HNNXBMFYSA-N 1 0 314.433 3.019 20 10 DGCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2O)C1 ZINC001560679235 1189359299 /nfs/dbraw/zinc/35/92/99/1189359299.db2.gz GYLQPKSCKBTJSQ-DOTOQJQBSA-N 1 0 318.461 3.217 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC001560778354 1189379669 /nfs/dbraw/zinc/37/96/69/1189379669.db2.gz BQHISEWDPBGXMW-UHFFFAOYSA-N 1 0 319.445 3.287 20 10 DGCDRO Cn1cc(CCC[N@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001560815605 1189386239 /nfs/dbraw/zinc/38/62/39/1189386239.db2.gz HCQRJLKUGNKJKL-UHFFFAOYSA-N 1 0 312.461 3.085 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC001560813139 1189386901 /nfs/dbraw/zinc/38/69/01/1189386901.db2.gz OMAOROSVPBEAMD-UHFFFAOYSA-N 1 0 312.404 3.288 20 10 DGCDRO CC(C)C[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCN(C)C ZINC001560815556 1189386927 /nfs/dbraw/zinc/38/69/27/1189386927.db2.gz FQWHKBKDWQYXFR-BQYQJAHWSA-N 1 0 303.494 3.285 20 10 DGCDRO CO[C@H](C[NH2+]Cc1ccc(Cl)cc1O)Cc1ccccc1 ZINC001560843350 1189392976 /nfs/dbraw/zinc/39/29/76/1189392976.db2.gz XULNAHGIJNQGQX-INIZCTEOSA-N 1 0 305.805 3.393 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC001560857895 1189394724 /nfs/dbraw/zinc/39/47/24/1189394724.db2.gz HIYYVNHANCJPBM-GOSISDBHSA-N 1 0 304.478 3.339 20 10 DGCDRO CCc1cccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1O ZINC001560892265 1189400978 /nfs/dbraw/zinc/40/09/78/1189400978.db2.gz JIBZHNRKVFXLLD-MRXNPFEDSA-N 1 0 313.397 3.274 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@]3(C)CCCCO3)C2)cc1 ZINC001560899028 1189402486 /nfs/dbraw/zinc/40/24/86/1189402486.db2.gz WMVJZLFBQZSXLX-LPHOPBHVSA-N 1 0 318.461 3.070 20 10 DGCDRO Cc1ccc(NCC[NH2+]Cc2cc(Cl)c(C)cc2O)nc1 ZINC001561018579 1189421190 /nfs/dbraw/zinc/42/11/90/1189421190.db2.gz CYSLNMNUKFNCKH-UHFFFAOYSA-N 1 0 305.809 3.259 20 10 DGCDRO CC(C)C1(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001561040505 1189424944 /nfs/dbraw/zinc/42/49/44/1189424944.db2.gz TUMORVWOIXUMTG-GOSISDBHSA-N 1 0 303.494 3.381 20 10 DGCDRO CCC[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001566833667 1189917338 /nfs/dbraw/zinc/91/73/38/1189917338.db2.gz RLVSEAFXTFREHI-XYPHTWIQSA-N 1 0 318.461 3.177 20 10 DGCDRO CCC1(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001568190443 1190447268 /nfs/dbraw/zinc/44/72/68/1190447268.db2.gz JPXDQPCSYYOESY-AWEZNQCLSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)C)cc1C ZINC001568325014 1190490804 /nfs/dbraw/zinc/49/08/04/1190490804.db2.gz BOZCLEACPNNMNZ-QGZVFWFLSA-N 1 0 320.477 3.280 20 10 DGCDRO CCCn1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC001620756483 1191439337 /nfs/dbraw/zinc/43/93/37/1191439337.db2.gz UOGKSMHGUZGWNZ-UHFFFAOYSA-N 1 0 304.413 3.096 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC001620772032 1191485130 /nfs/dbraw/zinc/48/51/30/1191485130.db2.gz IFYPJXPNGKVFIS-SREVYHEPSA-N 1 0 320.440 3.442 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1C[C@H]1C1CCCC1 ZINC001621107761 1193802580 /nfs/dbraw/zinc/80/25/80/1193802580.db2.gz YPKBEQNULBQDNF-QUCCMNQESA-N 1 0 314.473 3.439 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(C3(C)OCCO3)CC2)c1 ZINC001621180960 1193813115 /nfs/dbraw/zinc/81/31/15/1193813115.db2.gz IHQWNFWTWBOBFL-UHFFFAOYSA-N 1 0 319.445 3.491 20 10 DGCDRO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)CCO1 ZINC001621204700 1193816442 /nfs/dbraw/zinc/81/64/42/1193816442.db2.gz OGUWWZUVPIXUIU-QAPCUYQASA-N 1 0 307.434 3.474 20 10 DGCDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001621272016 1193825300 /nfs/dbraw/zinc/82/53/00/1193825300.db2.gz RNMINDBPRWVBGS-KBPBESRZSA-N 1 0 320.477 3.223 20 10 DGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cc(C)cc(OC)c1O)C(C)C ZINC001621274411 1193826412 /nfs/dbraw/zinc/82/64/12/1193826412.db2.gz GBXFSJUEWQIMAO-GOSISDBHSA-N 1 0 323.433 3.167 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(O)c1 ZINC001621306595 1193828547 /nfs/dbraw/zinc/82/85/47/1193828547.db2.gz PZUPOTKMSSDROA-OAHLLOKOSA-N 1 0 316.376 3.278 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC001621310151 1193828993 /nfs/dbraw/zinc/82/89/93/1193828993.db2.gz HBKHLSLLNASKBF-LJQANCHMSA-N 1 0 301.478 3.168 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC001621310150 1193829599 /nfs/dbraw/zinc/82/95/99/1193829599.db2.gz HBKHLSLLNASKBF-IBGZPJMESA-N 1 0 301.478 3.168 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC001621408997 1193838862 /nfs/dbraw/zinc/83/88/62/1193838862.db2.gz OAENXTUKOYSXOW-OCCSQVGLSA-N 1 0 323.408 3.331 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC001621477567 1193847847 /nfs/dbraw/zinc/84/78/47/1193847847.db2.gz UATGKJHMUVHKFD-XFQAVAEZSA-N 1 0 307.459 3.001 20 10 DGCDRO CC(C)SCC[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001621557456 1193858409 /nfs/dbraw/zinc/85/84/09/1193858409.db2.gz KBYFFXDBLQXSKM-KRWDZBQOSA-N 1 0 309.523 3.087 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)N(C)C)cc1 ZINC001621557134 1193858562 /nfs/dbraw/zinc/85/85/62/1193858562.db2.gz AVKPPTZPSWRCMO-QYZOEREBSA-N 1 0 301.478 3.134 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001641156755 1194841920 /nfs/dbraw/zinc/84/19/20/1194841920.db2.gz VAQUPLSVBWSVRK-HKUYNNGSSA-N 1 0 324.424 3.044 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCN(C)[C@H](C(C)(C)C)C2)cc1 ZINC001646537141 1195233440 /nfs/dbraw/zinc/23/34/40/1195233440.db2.gz SVQAKZYVNUVBFT-SFHVURJKSA-N 1 0 303.494 3.305 20 10 DGCDRO CN(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1ccccc1 ZINC001648706400 1195324377 /nfs/dbraw/zinc/32/43/77/1195324377.db2.gz CHAYEGUHGWCHBL-HNNXBMFYSA-N 1 0 318.848 3.308 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)cc1C ZINC001650627455 1195366569 /nfs/dbraw/zinc/36/65/69/1195366569.db2.gz NADWFGVKFLOLHD-GOSISDBHSA-N 1 0 303.402 3.374 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](CCO)C2CCCCC2)cc1F ZINC001650903276 1195393542 /nfs/dbraw/zinc/39/35/42/1195393542.db2.gz MNPSAFXAGLTQBG-KRWDZBQOSA-N 1 0 308.441 3.313 20 10 DGCDRO CCCn1cncc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC001651228158 1195428519 /nfs/dbraw/zinc/42/85/19/1195428519.db2.gz PSJZLOSTMHVHTM-MRXNPFEDSA-N 1 0 314.477 3.388 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCCCO1 ZINC001651269064 1195435826 /nfs/dbraw/zinc/43/58/26/1195435826.db2.gz JEEKVIHYIJONNP-DOTOQJQBSA-N 1 0 312.404 3.468 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C)nc(C)c3)C2)cc1 ZINC001651311044 1195442082 /nfs/dbraw/zinc/44/20/82/1195442082.db2.gz XLGLOWVTDSVMOU-KRWDZBQOSA-N 1 0 311.429 3.076 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(OC)CCSC2)cc1 ZINC001651592324 1195484624 /nfs/dbraw/zinc/48/46/24/1195484624.db2.gz VJCNFIOVZOTXPD-QGZVFWFLSA-N 1 0 308.491 3.145 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC001651799528 1195510984 /nfs/dbraw/zinc/51/09/84/1195510984.db2.gz ACULMRQAQHTPAF-DOTOQJQBSA-N 1 0 307.459 3.222 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)c1O ZINC001652024675 1195538203 /nfs/dbraw/zinc/53/82/03/1195538203.db2.gz IJLZKTXCGHWJRI-KGYZHSKHSA-N 1 0 319.445 3.366 20 10 DGCDRO [NH3+]CCN(Cc1cccc(F)c1O)c1ccc2ccccc2n1 ZINC001652678397 1195635383 /nfs/dbraw/zinc/63/53/83/1195635383.db2.gz RFKCYYHZUZEWDV-UHFFFAOYSA-N 1 0 311.360 3.045 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccc3[nH]ccc32)c(O)c1OC ZINC001653010221 1195680174 /nfs/dbraw/zinc/68/01/74/1195680174.db2.gz XZIOOQVXNUMYJA-UHFFFAOYSA-N 1 0 312.369 3.181 20 10 DGCDRO CC(C)[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001653280274 1195706743 /nfs/dbraw/zinc/70/67/43/1195706743.db2.gz ACJXTVSFZWYILN-SFHVURJKSA-N 1 0 315.413 3.078 20 10 DGCDRO Cc1cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)ccc1N(C)C ZINC001655187163 1195887657 /nfs/dbraw/zinc/88/76/57/1195887657.db2.gz MZDHDZOSXMEFGH-BGYRXZFFSA-N 1 0 314.473 3.454 20 10 DGCDRO CC(C)[C@@H](CNC/C=C\c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC001655251093 1195896594 /nfs/dbraw/zinc/89/65/94/1195896594.db2.gz MCJKWYSVLUCBMO-WHXUGTBJSA-N 1 0 315.505 3.476 20 10 DGCDRO C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCC[C@@H](C)C1 ZINC001655283037 1195899852 /nfs/dbraw/zinc/89/98/52/1195899852.db2.gz WYJJPMSUIYFKII-GNLKBHMISA-N 1 0 315.505 3.476 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N1CCC(C)CC1 ZINC001655454655 1195919937 /nfs/dbraw/zinc/91/99/37/1195919937.db2.gz PIIFMLNKWOVJFG-GOSISDBHSA-N 1 0 315.505 3.497 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](CO)C2CCCCC2)ccc1OC ZINC001655708533 1195953507 /nfs/dbraw/zinc/95/35/07/1195953507.db2.gz QXULXPPJYDKNPF-GOSISDBHSA-N 1 0 321.461 3.263 20 10 DGCDRO Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CO2 ZINC001655897029 1195974811 /nfs/dbraw/zinc/97/48/11/1195974811.db2.gz YFGVHIYQQOGTLO-OAHLLOKOSA-N 1 0 301.773 3.498 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)c1ccccc1F ZINC001656177748 1196014587 /nfs/dbraw/zinc/01/45/87/1196014587.db2.gz VOFFSOOSNNWQCJ-IBGZPJMESA-N 1 0 312.388 3.449 20 10 DGCDRO CN(C)c1ccc(/C=C/CNc2c[nH+]ccc2-n2cccn2)cc1 ZINC001657019576 1196094274 /nfs/dbraw/zinc/09/42/74/1196094274.db2.gz KKUZLNBJDRZBIF-HWKANZROSA-N 1 0 319.412 3.459 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657421781 1196139935 /nfs/dbraw/zinc/13/99/35/1196139935.db2.gz LNBVIDYSTXKKTH-CQSZACIVSA-N 1 0 317.351 3.459 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](CCO)CCc2ccccc2)cc1 ZINC001657471200 1196146689 /nfs/dbraw/zinc/14/66/89/1196146689.db2.gz XUKCPVGNLHTTEA-RMKNXTFCSA-N 1 0 324.468 3.303 20 10 DGCDRO CCOCc1cc(C[NH2+]CC(C)(C)[C@H](O)C(C)C)ccc1OC ZINC001657721431 1196172023 /nfs/dbraw/zinc/17/20/23/1196172023.db2.gz DXEFZNHIHVTCDQ-GOSISDBHSA-N 1 0 323.477 3.364 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC001657921108 1196194234 /nfs/dbraw/zinc/19/42/34/1196194234.db2.gz PDBDKSHZDRKEGH-DNVCBOLYSA-N 1 0 319.445 3.286 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H](C)Cc2ccccc2OC)c(O)c1 ZINC001657946707 1196195610 /nfs/dbraw/zinc/19/56/10/1196195610.db2.gz ZHGXVSFVKBVQEX-AWEZNQCLSA-N 1 0 315.413 3.439 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCCCC[C@@H]2CCO)cc1F ZINC001658093656 1196211435 /nfs/dbraw/zinc/21/14/35/1196211435.db2.gz MBNGIQMXOAZBGO-CQSZACIVSA-N 1 0 312.404 3.158 20 10 DGCDRO Cc1nc2ccccn2c1C[NH2+]Cc1c(O)cccc1Cl ZINC001658126628 1196215490 /nfs/dbraw/zinc/21/54/90/1196215490.db2.gz VKLPEMNNDVAOQE-UHFFFAOYSA-N 1 0 301.777 3.292 20 10 DGCDRO Cc1cc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)nn1C ZINC001658388043 1196250569 /nfs/dbraw/zinc/25/05/69/1196250569.db2.gz ULMXDAQPQFPLLF-UHFFFAOYSA-N 1 0 322.456 3.468 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cc1C ZINC001658414940 1196253124 /nfs/dbraw/zinc/25/31/24/1196253124.db2.gz FJIYHXSXWMPSEZ-SMDDNHRTSA-N 1 0 305.340 3.185 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cc1C ZINC001658414937 1196253135 /nfs/dbraw/zinc/25/31/35/1196253135.db2.gz FJIYHXSXWMPSEZ-BXUZGUMPSA-N 1 0 305.340 3.185 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC001658475515 1196261421 /nfs/dbraw/zinc/26/14/21/1196261421.db2.gz SIYHHUJWKCMBJG-HNNXBMFYSA-N 1 0 305.418 3.261 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001658857069 1196311578 /nfs/dbraw/zinc/31/15/78/1196311578.db2.gz NFIKTQCYBNYWJM-WOVMCDHWSA-N 1 0 303.789 3.185 20 10 DGCDRO CCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1O ZINC001658938146 1196322305 /nfs/dbraw/zinc/32/23/05/1196322305.db2.gz IPDWMNMKGMJABU-OALUTQOASA-N 1 0 308.425 3.418 20 10 DGCDRO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001659223862 1196361649 /nfs/dbraw/zinc/36/16/49/1196361649.db2.gz IROPUHJVNSUYFZ-KSSFIOAISA-N 1 0 316.470 3.340 20 10 DGCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001659482311 1196387995 /nfs/dbraw/zinc/38/79/95/1196387995.db2.gz XYTQKWUOVPTMJQ-ODCPWLHKSA-N 1 0 302.462 3.247 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2cc(C)cc(Cl)n2)c(O)c1 ZINC001659564105 1196396270 /nfs/dbraw/zinc/39/62/70/1196396270.db2.gz JIMNSKFOIOUSDV-UHFFFAOYSA-N 1 0 306.793 3.356 20 10 DGCDRO C[NH+]1CCC(n2cc(NCc3ccc(Cl)cc3O)cn2)CC1 ZINC001659832840 1196419147 /nfs/dbraw/zinc/41/91/47/1196419147.db2.gz UJWYTBLUKVJYFC-UHFFFAOYSA-N 1 0 320.824 3.121 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H]2CCC23CCOCC3)c(O)c1 ZINC001659858462 1196421956 /nfs/dbraw/zinc/42/19/56/1196421956.db2.gz DGAOXKSDOPGLFI-CQSZACIVSA-N 1 0 305.418 3.006 20 10 DGCDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001660153838 1196451392 /nfs/dbraw/zinc/45/13/92/1196451392.db2.gz UDNZRYXOBPGUGG-HNNXBMFYSA-N 1 0 316.788 3.089 20 10 DGCDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2n1 ZINC001661590974 1196622585 /nfs/dbraw/zinc/62/25/85/1196622585.db2.gz YQEMRIGUIPBACJ-UHFFFAOYSA-N 1 0 320.392 3.468 20 10 DGCDRO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001661754222 1196641088 /nfs/dbraw/zinc/64/10/88/1196641088.db2.gz ANAWNHHENSVCBN-WOJBJXKFSA-N 1 0 308.425 3.035 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC001661975568 1196667991 /nfs/dbraw/zinc/66/79/91/1196667991.db2.gz PZPMCYHSDPOSPL-OAQYLSRUSA-N 1 0 320.436 3.410 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@H]1CCCCN1C1CC1)CCCO2 ZINC001662391085 1196716205 /nfs/dbraw/zinc/71/62/05/1196716205.db2.gz GMHJQXNXCCLZLL-GOSISDBHSA-N 1 0 300.446 3.118 20 10 DGCDRO CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001662737958 1196744636 /nfs/dbraw/zinc/74/46/36/1196744636.db2.gz ARHHVGHCVGOYBS-DLBZAZTESA-N 1 0 318.461 3.321 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCNc1ccc(C)cn1 ZINC001663333747 1196836579 /nfs/dbraw/zinc/83/65/79/1196836579.db2.gz DQUNBMMMOXYCDJ-UHFFFAOYSA-N 1 0 308.429 3.392 20 10 DGCDRO CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001663855761 1196951493 /nfs/dbraw/zinc/95/14/93/1196951493.db2.gz ZRVOZVDADQQGBN-UHFFFAOYSA-N 1 0 312.404 3.223 20 10 DGCDRO COC(=O)c1c(C[NH+]2C3CCC2CC3)c2cc(F)ccc2n1C ZINC001664130910 1196974405 /nfs/dbraw/zinc/97/44/05/1196974405.db2.gz SERPAIODFDWGCE-UHFFFAOYSA-N 1 0 316.376 3.231 20 10 DGCDRO CN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC001664200074 1196979181 /nfs/dbraw/zinc/97/91/81/1196979181.db2.gz VSIVVCVETRXSQR-ZACQAIPSSA-N 1 0 302.462 3.499 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001664305870 1196988409 /nfs/dbraw/zinc/98/84/09/1196988409.db2.gz ROUKEHOVVUXBDC-CQSZACIVSA-N 1 0 303.324 3.015 20 10 DGCDRO CCC[C@]1(CO)CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001664518435 1197009661 /nfs/dbraw/zinc/00/96/61/1197009661.db2.gz FHMOPXZQTPWZGL-WSSFADSRSA-N 1 0 302.462 3.393 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@](C)(OC)c2ccccc2)c(O)c1 ZINC001664766642 1197055135 /nfs/dbraw/zinc/05/51/35/1197055135.db2.gz QZODPQFYUJPHIL-IBGZPJMESA-N 1 0 315.413 3.361 20 10 DGCDRO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC001665277250 1197117794 /nfs/dbraw/zinc/11/77/94/1197117794.db2.gz LTARMQXQROJGKT-UHFFFAOYSA-N 1 0 319.788 3.430 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c(O)c1 ZINC001665795435 1197199381 /nfs/dbraw/zinc/19/93/81/1197199381.db2.gz FUKHILOCXLZKNO-CQSZACIVSA-N 1 0 305.418 3.291 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCOCC23CCCC3)c1O ZINC001665926256 1197217485 /nfs/dbraw/zinc/21/74/85/1197217485.db2.gz OOIGSBZDOPTHKH-MRXNPFEDSA-N 1 0 305.418 3.148 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC(C)(C)C)cc1C ZINC001666855176 1197291590 /nfs/dbraw/zinc/29/15/90/1197291590.db2.gz XHDNQMFKMKSJTP-OAHLLOKOSA-N 1 0 320.477 3.376 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC(=O)NCc1ccccc1 ZINC000324528115 1197693328 /nfs/dbraw/zinc/69/33/28/1197693328.db2.gz YUGMOOZVIDSECN-GOEBONIOSA-N 1 0 324.424 3.155 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC2CCC2)cc1C ZINC001674647002 1197819516 /nfs/dbraw/zinc/81/95/16/1197819516.db2.gz MMLJLOIMLYGMNF-CABCVRRESA-N 1 0 318.461 3.177 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000093507965 1198701472 /nfs/dbraw/zinc/70/14/72/1198701472.db2.gz IXYAUFMXSOWPLR-UHFFFAOYSA-N 1 0 306.425 3.283 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCC2CCC2)cc1C ZINC001690564671 1200628945 /nfs/dbraw/zinc/62/89/45/1200628945.db2.gz STGJTQNEEOVDDX-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1cc(Br)cc(C[N@H+](C)CC2CCC2)c1O ZINC000127764392 1200700082 /nfs/dbraw/zinc/70/00/82/1200700082.db2.gz OJZGLPFSEFHFGG-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO CC/C=C(/C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001752619701 1201878508 /nfs/dbraw/zinc/87/85/08/1201878508.db2.gz MCPMWMRPCAZLRG-KDRFHUQXSA-N 1 0 316.445 3.097 20 10 DGCDRO CCC(CC)C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001752862973 1201983025 /nfs/dbraw/zinc/98/30/25/1201983025.db2.gz WCRXGWULGVNLAA-AWEZNQCLSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)C(C)C)cc1C ZINC001753014067 1202059503 /nfs/dbraw/zinc/05/95/03/1202059503.db2.gz DIYSXDLHYXMHGG-HZPDHXFCSA-N 1 0 320.477 3.280 20 10 DGCDRO CC/C=C(/C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700740045 1202346113 /nfs/dbraw/zinc/34/61/13/1202346113.db2.gz XQCPQTKJVUKWTI-WPMUKRGUSA-N 1 0 318.461 3.296 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000165048269 1203731095 /nfs/dbraw/zinc/73/10/95/1203731095.db2.gz YNCATTKFEWRDBZ-HNNXBMFYSA-N 1 0 313.397 3.463 20 10 DGCDRO Oc1cccc(Br)c1CN1CCc2ncccc2C1 ZINC001140101298 1081840637 /nfs/dbraw/zinc/84/06/37/1081840637.db2.gz QIQBUGAKJLZMBX-UHFFFAOYSA-N 1 0 319.202 3.108 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCCS1 ZINC000691465562 1081850592 /nfs/dbraw/zinc/85/05/92/1081850592.db2.gz JCWVWKOTIBDQMA-LLVKDONJSA-N 1 0 302.237 3.140 20 10 DGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(Br)cc1O)OC ZINC000691470246 1081859488 /nfs/dbraw/zinc/85/94/88/1081859488.db2.gz SSMDHSQSOQRZKY-HZMBPMFUSA-N 1 0 316.239 3.305 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C1CCOCC1 ZINC000691475580 1081863264 /nfs/dbraw/zinc/86/32/64/1081863264.db2.gz BHEVXOUYSYQWIR-SNVBAGLBSA-N 1 0 314.223 3.059 20 10 DGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000691488044 1081923870 /nfs/dbraw/zinc/92/38/70/1081923870.db2.gz KJBCAAHHWIRDAZ-MNOVXSKESA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CC(Oc3ccc(F)cc3)C2)c1O ZINC001140182770 1081940840 /nfs/dbraw/zinc/94/08/40/1081940840.db2.gz ZSQVKBFPYGIMPJ-UHFFFAOYSA-N 1 0 301.361 3.411 20 10 DGCDRO CCc1cccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000691506149 1081954912 /nfs/dbraw/zinc/95/49/12/1081954912.db2.gz BGDGBNDGGAIKOO-ZDUSSCGKSA-N 1 0 322.449 3.348 20 10 DGCDRO CC/C=C(\C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266669874 1082129687 /nfs/dbraw/zinc/12/96/87/1082129687.db2.gz MCPMWMRPCAZLRG-GIWLZJNWSA-N 1 0 316.445 3.097 20 10 DGCDRO CC[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccccc1O ZINC000693430658 1082227678 /nfs/dbraw/zinc/22/76/78/1082227678.db2.gz IOFXISSBYRUJKG-GFCCVEGCSA-N 1 0 324.222 3.129 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H]3CCO[C@@H](CC)C3)CC2)cc1 ZINC001170241446 1082325407 /nfs/dbraw/zinc/32/54/07/1082325407.db2.gz WTMRYHSEFZUAQT-ROUUACIJSA-N 1 0 318.461 3.165 20 10 DGCDRO CC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)CCO1 ZINC001170241878 1082325744 /nfs/dbraw/zinc/32/57/44/1082325744.db2.gz YTBBUPBOXTVKKC-IAGOWNOFSA-N 1 0 318.461 3.083 20 10 DGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC001170297148 1082338736 /nfs/dbraw/zinc/33/87/36/1082338736.db2.gz KPVMTMFPGVMXLX-GFCCVEGCSA-N 1 0 316.357 3.030 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC2CC2)cc1C ZINC001133482047 1083137925 /nfs/dbraw/zinc/13/79/25/1083137925.db2.gz KGYKLJYVGGYEIS-HUUCEWRRSA-N 1 0 318.461 3.177 20 10 DGCDRO CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133508832 1083140181 /nfs/dbraw/zinc/14/01/81/1083140181.db2.gz PQDLPONMYCZPIO-GJZGRUSLSA-N 1 0 306.450 3.177 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(C)C)cc1C ZINC001133591353 1083159026 /nfs/dbraw/zinc/15/90/26/1083159026.db2.gz VQVISDJWQAWAKI-CVEARBPZSA-N 1 0 320.477 3.423 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(C)CC2)cc1C ZINC001134435840 1083291516 /nfs/dbraw/zinc/29/15/16/1083291516.db2.gz QFMRKIBDPLTZPO-LSDHHAIUSA-N 1 0 318.461 3.177 20 10 DGCDRO CCC[N@H+](CCN1CCCC1)Cc1c(C)cc(OC)cc1O ZINC001181655705 1083508508 /nfs/dbraw/zinc/50/85/08/1083508508.db2.gz LNNCHOMGXPCRLN-UHFFFAOYSA-N 1 0 306.450 3.017 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222252523 1083574181 /nfs/dbraw/zinc/57/41/81/1083574181.db2.gz GBLSUAWSBVFLNO-OAHLLOKOSA-N 1 0 315.244 3.417 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC001182128269 1083625007 /nfs/dbraw/zinc/62/50/07/1083625007.db2.gz SQSJAYAVJSQCPU-ZWKOTPCHSA-N 1 0 317.429 3.243 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c(O)c1 ZINC001183673280 1083995705 /nfs/dbraw/zinc/99/57/05/1083995705.db2.gz PQZWUNGZTQKRSR-ZDUSSCGKSA-N 1 0 318.442 3.464 20 10 DGCDRO CCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268266666 1084430337 /nfs/dbraw/zinc/43/03/37/1084430337.db2.gz BRYCYXOHJUDXBK-IRXDYDNUSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[N@@H+]2CCCc3ccc(OC)cc3C2)c(O)c1 ZINC001203634362 1084619153 /nfs/dbraw/zinc/61/91/53/1084619153.db2.gz BFMZTBCOCOVNEJ-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2CCCC2)cc1C ZINC001482074019 1084825961 /nfs/dbraw/zinc/82/59/61/1084825961.db2.gz VZOTZFHFCYINSF-CQSZACIVSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+]C2(CNC(=O)C(C)C)CCCC2)cc1C ZINC001482212898 1085301032 /nfs/dbraw/zinc/30/10/32/1085301032.db2.gz WAJRVOZCUADWEG-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@H](CNC(=O)C1(CC)CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269467137 1085402094 /nfs/dbraw/zinc/40/20/94/1085402094.db2.gz SKLJGDUNWCNHRI-MRXNPFEDSA-N 1 0 318.461 3.178 20 10 DGCDRO Cc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)c(O)c1 ZINC001658751744 1126262929 /nfs/dbraw/zinc/26/29/29/1126262929.db2.gz NOIFORLNDQQXGY-SFHVURJKSA-N 1 0 319.832 3.437 20 10 DGCDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001168149147 1086988219 /nfs/dbraw/zinc/98/82/19/1086988219.db2.gz LHHCXYTXHYMUOM-DIFFPNOSSA-N 1 0 321.804 3.005 20 10 DGCDRO COc1ccc(N2CC[NH+](C3CCC(C)CC3)CC2)c(OC)c1 ZINC001168221996 1087062827 /nfs/dbraw/zinc/06/28/27/1087062827.db2.gz UXYWBJBSIYAGOI-UHFFFAOYSA-N 1 0 318.461 3.405 20 10 DGCDRO CC[NH+](CC)Cc1ccccc1N(CCO)c1ccc(N)cc1 ZINC001211994014 1087125222 /nfs/dbraw/zinc/12/52/22/1087125222.db2.gz JOODDFMMYVPWPG-UHFFFAOYSA-N 1 0 313.445 3.241 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC(C)(C)C)cc1C ZINC001483210785 1087419600 /nfs/dbraw/zinc/41/96/00/1087419600.db2.gz MBLFDJYAWVXCIH-AWEZNQCLSA-N 1 0 306.450 3.034 20 10 DGCDRO CCOc1cccc(C[NH2+]CCSCC(F)(F)F)c1O ZINC000698959977 1087714624 /nfs/dbraw/zinc/71/46/24/1087714624.db2.gz UTPHWSVOGFLQSP-UHFFFAOYSA-N 1 0 309.353 3.176 20 10 DGCDRO [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235338087 1088317254 /nfs/dbraw/zinc/31/72/54/1088317254.db2.gz AYFTTWUOLSTBAQ-UHFFFAOYSA-N 1 0 315.244 3.130 20 10 DGCDRO CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1O ZINC001272619351 1088325191 /nfs/dbraw/zinc/32/51/91/1088325191.db2.gz VBMAPABMYPHLPN-DNVCBOLYSA-N 1 0 316.445 3.148 20 10 DGCDRO CNc1ccc(Nc2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)cc1 ZINC001159828697 1088510281 /nfs/dbraw/zinc/51/02/81/1088510281.db2.gz IVXHAVGZTZQRAG-UHFFFAOYSA-N 1 0 322.412 3.045 20 10 DGCDRO Nc1ccc(N(CC2CC[NH2+]CC2)c2cccc(F)c2N)cc1 ZINC001160080473 1088633543 /nfs/dbraw/zinc/63/35/43/1088633543.db2.gz ZGIFWBNRIASBAE-UHFFFAOYSA-N 1 0 314.408 3.128 20 10 DGCDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214122 1088712279 /nfs/dbraw/zinc/71/22/79/1088712279.db2.gz QJICGBZQINHIKP-CHWSQXEVSA-N 1 0 303.233 3.401 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)cc1 ZINC001206654318 1089015035 /nfs/dbraw/zinc/01/50/35/1089015035.db2.gz BLLYSAVDAANZCY-KRWDZBQOSA-N 1 0 319.399 3.262 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c2ccccc21 ZINC001206658027 1089211719 /nfs/dbraw/zinc/21/17/19/1089211719.db2.gz UMGHFSZQYOYDMZ-QGZVFWFLSA-N 1 0 319.399 3.074 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3nccc4ccoc43)cc2)CC1 ZINC001156655507 1089627454 /nfs/dbraw/zinc/62/74/54/1089627454.db2.gz FYXGHYZGXKYPAU-UHFFFAOYSA-N 1 0 322.412 3.192 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)C2CC(C)(C)C2)cc1C ZINC001157448083 1089970095 /nfs/dbraw/zinc/97/00/95/1089970095.db2.gz IWEYQZWOOAZKMN-UHFFFAOYSA-N 1 0 318.461 3.036 20 10 DGCDRO Nc1cc[nH+]c(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001157724409 1090088295 /nfs/dbraw/zinc/08/82/95/1090088295.db2.gz OMNBGMLJRPFFOO-UHFFFAOYSA-N 1 0 300.749 3.183 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)C2(C)CCCC2)cc1C ZINC001163497952 1090199588 /nfs/dbraw/zinc/19/95/88/1090199588.db2.gz PHLKNGCMVKKSKA-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO Cc1[nH+]ccc(NCc2cc(Cl)c3cccnc3c2O)c1F ZINC001168526518 1090304478 /nfs/dbraw/zinc/30/44/78/1090304478.db2.gz XRNAMYUCWYPDMZ-UHFFFAOYSA-N 1 0 317.751 3.470 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC[C@@H]2C)cc1C ZINC001127929609 1090543922 /nfs/dbraw/zinc/54/39/22/1090543922.db2.gz UUTLLKMRQBSSAD-YOEHRIQHSA-N 1 0 318.461 3.036 20 10 DGCDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1O ZINC001272765420 1090561130 /nfs/dbraw/zinc/56/11/30/1090561130.db2.gz HXQZRBHYKAJIFV-DJIMGWMZSA-N 1 0 316.445 3.064 20 10 DGCDRO CCCC1(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001166097605 1090578966 /nfs/dbraw/zinc/57/89/66/1090578966.db2.gz CRRUAPKEALCAJI-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO Cc1csc2nc(C)c(C[NH2+]Cc3cc(C)ccc3O)n12 ZINC001206714732 1090598788 /nfs/dbraw/zinc/59/87/88/1090598788.db2.gz KREFTNVZRPKVAW-UHFFFAOYSA-N 1 0 301.415 3.316 20 10 DGCDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2O)C1 ZINC001203558557 1090614498 /nfs/dbraw/zinc/61/44/98/1090614498.db2.gz MVNAEWFGALSTSK-UKRRQHHQSA-N 1 0 320.433 3.127 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC001203550090 1090752824 /nfs/dbraw/zinc/75/28/24/1090752824.db2.gz HGUYLMOUXFBZFY-CQSZACIVSA-N 1 0 320.433 3.224 20 10 DGCDRO COc1cccc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c1O ZINC001203600124 1090765723 /nfs/dbraw/zinc/76/57/23/1090765723.db2.gz RDDGOTJRFSRASD-UHFFFAOYSA-N 1 0 305.418 3.324 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCc3nc(C)sc3C2)c1O ZINC001203608914 1090766621 /nfs/dbraw/zinc/76/66/21/1090766621.db2.gz AOXOMSGPPHVILO-UHFFFAOYSA-N 1 0 304.415 3.114 20 10 DGCDRO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665591 1090775185 /nfs/dbraw/zinc/77/51/85/1090775185.db2.gz OIZCWCYERJQBIF-OAHLLOKOSA-N 1 0 318.804 3.402 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001203664379 1090776012 /nfs/dbraw/zinc/77/60/12/1090776012.db2.gz CCWVODMBALOOOA-UHFFFAOYSA-N 1 0 317.820 3.153 20 10 DGCDRO C/C=C(/C)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001486459080 1090842549 /nfs/dbraw/zinc/84/25/49/1090842549.db2.gz JPFJCXLAZCWTDG-MLPAPPSSSA-N 1 0 316.445 3.049 20 10 DGCDRO Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936904 1090844602 /nfs/dbraw/zinc/84/46/02/1090844602.db2.gz QNQKJQSNEKUFPW-SFHVURJKSA-N 1 0 311.429 3.109 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)cc1 ZINC001203939114 1090844805 /nfs/dbraw/zinc/84/48/05/1090844805.db2.gz KBLWRORTOXNXJF-UHFFFAOYSA-N 1 0 316.445 3.204 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C2CCN(C)CC2)c2ccccc21 ZINC001204232390 1090929388 /nfs/dbraw/zinc/92/93/88/1090929388.db2.gz BVLKIJZNAMBJQU-UHFFFAOYSA-N 1 0 311.473 3.432 20 10 DGCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232681 1090930393 /nfs/dbraw/zinc/93/03/93/1090930393.db2.gz IFSAVDCWZBLSSF-JKSUJKDBSA-N 1 0 312.457 3.499 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c3ccccc23)[C@@H]1CO ZINC001204233116 1090930790 /nfs/dbraw/zinc/93/07/90/1090930790.db2.gz NOLWQCWDKPYPCK-MGPUTAFESA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(CN(C)CC[NH+]2CCCC2)c2ccccc21 ZINC001204240078 1090931510 /nfs/dbraw/zinc/93/15/10/1090931510.db2.gz HLBSZHVEVDTSSG-UHFFFAOYSA-N 1 0 311.473 3.433 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@@]1(C)O ZINC001204234967 1090931629 /nfs/dbraw/zinc/93/16/29/1090931629.db2.gz BBVAUZIPZOZTFB-FOIQADDNSA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)C[C@@H]32)c2ccccc21 ZINC001204241320 1090932605 /nfs/dbraw/zinc/93/26/05/1090932605.db2.gz DZTOBXOZPTWXLQ-UTKZUKDTSA-N 1 0 323.484 3.432 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccncn2)c2ccccc21 ZINC001204240985 1090933005 /nfs/dbraw/zinc/93/30/05/1090933005.db2.gz POYGPGFAXQGJIE-UHFFFAOYSA-N 1 0 306.413 3.328 20 10 DGCDRO CN1CC[N@H+](Cc2ccc(N3CCCC3)cc2)Cc2cccnc21 ZINC001204323996 1090949331 /nfs/dbraw/zinc/94/93/31/1090949331.db2.gz WCGJXBCARSAQJX-UHFFFAOYSA-N 1 0 322.456 3.134 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC2(C1)OCCO2 ZINC001204328795 1090950760 /nfs/dbraw/zinc/95/07/60/1090950760.db2.gz NRPNSUMKDPMQRO-GOSISDBHSA-N 1 0 316.445 3.014 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc(O)c1O ZINC001204341670 1090951375 /nfs/dbraw/zinc/95/13/75/1090951375.db2.gz FKUXQGVOIMHUIN-INIZCTEOSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cccc3cccnc32)cc(O)c1O ZINC001204345708 1090953166 /nfs/dbraw/zinc/95/31/66/1090953166.db2.gz VJNJQNNLJHTHQN-UHFFFAOYSA-N 1 0 324.380 3.287 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCC[C@@H]1O ZINC001138215575 1091118743 /nfs/dbraw/zinc/11/87/43/1091118743.db2.gz JYDATQNHJLIVKB-APWZRJJASA-N 1 0 302.462 3.270 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001138220666 1091119952 /nfs/dbraw/zinc/11/99/52/1091119952.db2.gz LPOZHZWPSSAWPP-HKUYNNGSSA-N 1 0 300.446 3.288 20 10 DGCDRO Cc1c(C[N@@H+]2CCC[C@](O)(CF)CC2)c2ccccc2n1C ZINC001138253047 1091126331 /nfs/dbraw/zinc/12/63/31/1091126331.db2.gz ZXZZUKMBHPVOMZ-GOSISDBHSA-N 1 0 304.409 3.173 20 10 DGCDRO Cc1c(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252585 1091127008 /nfs/dbraw/zinc/12/70/08/1091127008.db2.gz MMZDVRCUIPQWRR-LIRRHRJNSA-N 1 0 300.446 3.470 20 10 DGCDRO COC(=O)CC[N@H+](Cc1c(C)n(C)c2ccccc12)C1CC1 ZINC001138260082 1091127881 /nfs/dbraw/zinc/12/78/81/1091127881.db2.gz UICKNCYQOGWWNB-UHFFFAOYSA-N 1 0 300.402 3.014 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C2(CC2)C1 ZINC001138342219 1091146867 /nfs/dbraw/zinc/14/68/67/1091146867.db2.gz NXWYVZQOWBFZHQ-CQSZACIVSA-N 1 0 312.457 3.465 20 10 DGCDRO CCN(CC[NH+]1CCCCC1)Cc1ccc2c(c1)CCCN2C ZINC001138356170 1091149690 /nfs/dbraw/zinc/14/96/90/1091149690.db2.gz JDWVGKMIIAXXSI-UHFFFAOYSA-N 1 0 315.505 3.377 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CCN(c4ccccc4)CC3)ccc21 ZINC001138354062 1091150609 /nfs/dbraw/zinc/15/06/09/1091150609.db2.gz TWRVWMGHISORBY-UHFFFAOYSA-N 1 0 321.468 3.391 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@]4(C3)CC(F)(F)CO4)ccc21 ZINC001138356292 1091150954 /nfs/dbraw/zinc/15/09/54/1091150954.db2.gz JPMCPTARSDCEFM-QGZVFWFLSA-N 1 0 322.399 3.069 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CCCO)C(C)C)c(OC)c1 ZINC001138390402 1091165893 /nfs/dbraw/zinc/16/58/93/1091165893.db2.gz VNKAWSWWSYVBJV-UHFFFAOYSA-N 1 0 308.466 3.134 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2OC)cc1C ZINC001205298573 1091171064 /nfs/dbraw/zinc/17/10/64/1091171064.db2.gz GLTQKQOBTMZWFL-NXHRZFHOSA-N 1 0 307.434 3.066 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC001138497036 1091205180 /nfs/dbraw/zinc/20/51/80/1091205180.db2.gz YNWFQFFHODXNRE-IAGOWNOFSA-N 1 0 302.462 3.391 20 10 DGCDRO C[C@@]1(F)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495337 1091206647 /nfs/dbraw/zinc/20/66/47/1091206647.db2.gz HSSLBLXKGJPIFN-GOSISDBHSA-N 1 0 306.425 3.237 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC001138603552 1091248145 /nfs/dbraw/zinc/24/81/45/1091248145.db2.gz XIFZTSMWKYHWEZ-UHFFFAOYSA-N 1 0 305.381 3.136 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC001205643267 1091294413 /nfs/dbraw/zinc/29/44/13/1091294413.db2.gz XRVZBQXCIYXLCH-UHFFFAOYSA-N 1 0 315.694 3.052 20 10 DGCDRO COCC1(C2CC2)C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001119304645 1091433395 /nfs/dbraw/zinc/43/33/95/1091433395.db2.gz WGZSGXONJIGDIH-UHFFFAOYSA-N 1 0 300.446 3.145 20 10 DGCDRO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001206245123 1091548007 /nfs/dbraw/zinc/54/80/07/1091548007.db2.gz QMCXDHIMTDLVDG-HNNXBMFYSA-N 1 0 310.319 3.011 20 10 DGCDRO Cc1nc2c(s1)C[N@H+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001139673784 1091639591 /nfs/dbraw/zinc/63/95/91/1091639591.db2.gz ZWHPUAIJMCSQMQ-UHFFFAOYSA-N 1 0 301.459 3.384 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC001206720348 1091711991 /nfs/dbraw/zinc/71/19/91/1091711991.db2.gz DEFRUTDBPCCPJK-INIZCTEOSA-N 1 0 303.789 3.277 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(Cl)nc1 ZINC001139993214 1091734312 /nfs/dbraw/zinc/73/43/12/1091734312.db2.gz FYMNWLYUNRPMAS-UHFFFAOYSA-N 1 0 304.825 3.218 20 10 DGCDRO CC(C)(C)OC(=O)CC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140058495 1091751581 /nfs/dbraw/zinc/75/15/81/1091751581.db2.gz CUSXXZLZAWCHNH-UHFFFAOYSA-N 1 0 323.408 3.475 20 10 DGCDRO Oc1ccc(F)cc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001140056058 1091752626 /nfs/dbraw/zinc/75/26/26/1091752626.db2.gz GLVLHWFRBULIJL-IYBDPMFKSA-N 1 0 312.388 3.100 20 10 DGCDRO CCC[N@H+](CCOC)Cc1c(O)cccc1Br ZINC001140098838 1091766990 /nfs/dbraw/zinc/76/69/90/1091766990.db2.gz OOLCQVFMSZIYOX-UHFFFAOYSA-N 1 0 302.212 3.013 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c1O ZINC001140178344 1091791932 /nfs/dbraw/zinc/79/19/32/1091791932.db2.gz IZBAVRHVVCNRPS-SJORKVTESA-N 1 0 322.408 3.177 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCN(CCc3ccccc3)CC2)c1O ZINC001140179334 1091792225 /nfs/dbraw/zinc/79/22/25/1091792225.db2.gz HWHXCXJFERNHBL-UHFFFAOYSA-N 1 0 324.468 3.369 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c1O ZINC001140178641 1091792279 /nfs/dbraw/zinc/79/22/79/1091792279.db2.gz RXYXKLGRTDKVCU-UHFFFAOYSA-N 1 0 322.449 3.308 20 10 DGCDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140184088 1091795636 /nfs/dbraw/zinc/79/56/36/1091795636.db2.gz MLECSBAISQTCNJ-UHFFFAOYSA-N 1 0 318.461 3.230 20 10 DGCDRO CC(C)OCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001206992547 1091814186 /nfs/dbraw/zinc/81/41/86/1091814186.db2.gz XAABKNQJOREDSZ-UHFFFAOYSA-N 1 0 315.413 3.486 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC001140285323 1091816529 /nfs/dbraw/zinc/81/65/29/1091816529.db2.gz IYIHMHSEQCBYAJ-HOTGVXAUSA-N 1 0 302.462 3.268 20 10 DGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2ncccn2)CC1 ZINC001140341377 1091834695 /nfs/dbraw/zinc/83/46/95/1091834695.db2.gz KWPPEUHFBIEJNI-UHFFFAOYSA-N 1 0 303.793 3.215 20 10 DGCDRO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342820 1091834869 /nfs/dbraw/zinc/83/48/69/1091834869.db2.gz ZMVAAEJIBYNEJX-CYBMUJFWSA-N 1 0 318.804 3.402 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CCc2cnc(C3CC3)nc2C1 ZINC001140468800 1091878932 /nfs/dbraw/zinc/87/89/32/1091878932.db2.gz YDTRZJVIOQCTNM-UHFFFAOYSA-N 1 0 315.804 3.271 20 10 DGCDRO CCc1noc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC001140623604 1091934562 /nfs/dbraw/zinc/93/45/62/1091934562.db2.gz XYCMMPWELFIZCK-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140662474 1091949650 /nfs/dbraw/zinc/94/96/50/1091949650.db2.gz VSIGQZJMIYATEK-GJZGRUSLSA-N 1 0 306.425 3.425 20 10 DGCDRO COc1ccc(CC[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001207476743 1091981085 /nfs/dbraw/zinc/98/10/85/1091981085.db2.gz MISOAQIZXHQJLX-UHFFFAOYSA-N 1 0 313.397 3.097 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c1O ZINC001140748131 1091985734 /nfs/dbraw/zinc/98/57/34/1091985734.db2.gz RQLAPSDTAMJOKW-CQSZACIVSA-N 1 0 321.417 3.102 20 10 DGCDRO Oc1c(F)cccc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001276537676 1092000735 /nfs/dbraw/zinc/00/07/35/1092000735.db2.gz KPCALDDWKDAJOV-IRXDYDNUSA-N 1 0 304.409 3.123 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(O)c1 ZINC001140851043 1092028736 /nfs/dbraw/zinc/02/87/36/1092028736.db2.gz ZBKATQMDNGBIPI-HNAYVOBHSA-N 1 0 318.461 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c(O)c1 ZINC001140850034 1092029788 /nfs/dbraw/zinc/02/97/88/1092029788.db2.gz AZQFWRYDQLLKBM-KXBFYZLASA-N 1 0 320.477 3.221 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c(O)c1 ZINC001140855456 1092030942 /nfs/dbraw/zinc/03/09/42/1092030942.db2.gz ZRJHIZAAHHXUBS-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](OC)CC2)c(O)c1 ZINC001140855526 1092031662 /nfs/dbraw/zinc/03/16/62/1092031662.db2.gz DCYUAFNTUPCSDL-KRWDZBQOSA-N 1 0 306.450 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCCO3)CC2)c(O)c1 ZINC001140855108 1092031853 /nfs/dbraw/zinc/03/18/53/1092031853.db2.gz NTPPAHMITJSKRG-UHFFFAOYSA-N 1 0 318.461 3.383 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3cccnc3C2)c(O)c1 ZINC001140857099 1092032720 /nfs/dbraw/zinc/03/27/20/1092032720.db2.gz LVDPEEANMGZUHL-UHFFFAOYSA-N 1 0 311.429 3.192 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3[nH]cc(C)c3C)CC2)c(C)c1 ZINC001140864340 1092037578 /nfs/dbraw/zinc/03/75/78/1092037578.db2.gz OGOBRXFEKAIRKL-UHFFFAOYSA-N 1 0 313.445 3.271 20 10 DGCDRO CC[N@H+](CCCC(=O)OC)Cc1ccc(N(C)C)cc1Cl ZINC001140921535 1092063577 /nfs/dbraw/zinc/06/35/77/1092063577.db2.gz HIFLXBZSFWOSTC-UHFFFAOYSA-N 1 0 312.841 3.181 20 10 DGCDRO CN(C)c1ccc(CN2CCc3ccncc3C2)c(Cl)c1 ZINC001140925191 1092064267 /nfs/dbraw/zinc/06/42/67/1092064267.db2.gz PEGNDZNLCBJADV-UHFFFAOYSA-N 1 0 301.821 3.359 20 10 DGCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926798 1092067280 /nfs/dbraw/zinc/06/72/80/1092067280.db2.gz VHBPKQANCBXOLF-INIZCTEOSA-N 1 0 309.885 3.321 20 10 DGCDRO CCC[N@H+]1C[C@H]2CN(Cc3ccc(N(C)C)cc3Cl)C[C@H]2C1 ZINC001140926544 1092067599 /nfs/dbraw/zinc/06/75/99/1092067599.db2.gz NHKQKNODJCUIKB-IYBDPMFKSA-N 1 0 321.896 3.180 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(C)cc2O)cc(OC)c1 ZINC001140949562 1092075648 /nfs/dbraw/zinc/07/56/48/1092075648.db2.gz DUFWTSSEORHSJJ-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c(O)c1 ZINC001140949396 1092076054 /nfs/dbraw/zinc/07/60/54/1092076054.db2.gz AWVBQUKLFJDBAK-UHFFFAOYSA-N 1 0 315.388 3.323 20 10 DGCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140948014 1092076092 /nfs/dbraw/zinc/07/60/92/1092076092.db2.gz PQPNTLGNFCMGFF-GOSISDBHSA-N 1 0 305.418 3.256 20 10 DGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(C)cc3O)C2)c1 ZINC001140954238 1092078809 /nfs/dbraw/zinc/07/88/09/1092078809.db2.gz NSNCOOCOVJXASX-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001140954785 1092079493 /nfs/dbraw/zinc/07/94/93/1092079493.db2.gz ZAGRDKZEIYDHEF-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1ccnc(OC2CC[NH+](Cc3ccc(C)cc3O)CC2)c1 ZINC001140953999 1092079654 /nfs/dbraw/zinc/07/96/54/1092079654.db2.gz INCGBCAPHQWTJE-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001140958258 1092082919 /nfs/dbraw/zinc/08/29/19/1092082919.db2.gz WGVMOCRTMIGKQU-KRWDZBQOSA-N 1 0 310.441 3.407 20 10 DGCDRO CN(C)c1cc(F)c(CN(C)CC(C)(C)C[NH+](C)C)cc1F ZINC001207738945 1092085512 /nfs/dbraw/zinc/08/55/12/1092085512.db2.gz RHQPXZIFDONYRN-UHFFFAOYSA-N 1 0 313.436 3.050 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(OC)c1 ZINC001141028460 1092110846 /nfs/dbraw/zinc/11/08/46/1092110846.db2.gz PGDKDQNRORSDSP-MRXNPFEDSA-N 1 0 314.385 3.142 20 10 DGCDRO CC[N@H+](C)[C@H]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001207867022 1092124911 /nfs/dbraw/zinc/12/49/11/1092124911.db2.gz YVNGVGGYSQFUEG-HNNXBMFYSA-N 1 0 320.477 3.224 20 10 DGCDRO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)CC1CCOCC1 ZINC001141074713 1092129337 /nfs/dbraw/zinc/12/93/37/1092129337.db2.gz RTYNXKVXLCQLTA-UHFFFAOYSA-N 1 0 314.473 3.244 20 10 DGCDRO CCCO[C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075949 1092129667 /nfs/dbraw/zinc/12/96/67/1092129667.db2.gz HIOYAJNXNDJDNG-LJQANCHMSA-N 1 0 314.473 3.386 20 10 DGCDRO FC[C@H]1[C@@H]2C[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@H]12 ZINC001141078164 1092131821 /nfs/dbraw/zinc/13/18/21/1092131821.db2.gz NKDDFSFSINJTMK-NNZMDNLPSA-N 1 0 300.421 3.033 20 10 DGCDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141078120 1092131930 /nfs/dbraw/zinc/13/19/30/1092131930.db2.gz LTTPFKUIGGAAIU-ICSRJNTNSA-N 1 0 312.457 3.139 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001143619642 1092139975 /nfs/dbraw/zinc/13/99/75/1092139975.db2.gz YIFWZXRBLRKLMD-UHFFFAOYSA-N 1 0 301.361 3.494 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCCc4ccccc4C3)ccc21 ZINC001141143905 1092150471 /nfs/dbraw/zinc/15/04/71/1092150471.db2.gz NEHQMZDOPINLNP-UHFFFAOYSA-N 1 0 308.425 3.464 20 10 DGCDRO Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141158530 1092156020 /nfs/dbraw/zinc/15/60/20/1092156020.db2.gz CQXIDGGUZZVCRE-QGZVFWFLSA-N 1 0 313.397 3.450 20 10 DGCDRO Oc1ccc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c1 ZINC001141160564 1092156070 /nfs/dbraw/zinc/15/60/70/1092156070.db2.gz ZDQRHNLZGCGKLZ-LJHODMEESA-N 1 0 317.429 3.125 20 10 DGCDRO O=C(c1ccccc1)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141155877 1092156086 /nfs/dbraw/zinc/15/60/86/1092156086.db2.gz NKIUZJBEIQFTDQ-UHFFFAOYSA-N 1 0 311.381 3.193 20 10 DGCDRO Cc1ccc([C@@]2(C)C[N@H+](Cc3cc(O)ccc3O)CCO2)cc1 ZINC001141160788 1092157571 /nfs/dbraw/zinc/15/75/71/1092157571.db2.gz IPJVZHFAXSAELW-LJQANCHMSA-N 1 0 313.397 3.154 20 10 DGCDRO COc1ccc(N2CC[NH+](CC[C@@H](C)SC)CC2)c(C)c1 ZINC001208149999 1092221775 /nfs/dbraw/zinc/22/17/75/1092221775.db2.gz OPQUMOHVYRNFLU-OAHLLOKOSA-N 1 0 308.491 3.267 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2nccn2c1 ZINC001143033643 1092606689 /nfs/dbraw/zinc/60/66/89/1092606689.db2.gz BFLYGFQVWDOLLT-UHFFFAOYSA-N 1 0 308.429 3.422 20 10 DGCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C(C)C)cc1C ZINC001169236956 1092612026 /nfs/dbraw/zinc/61/20/26/1092612026.db2.gz NMGHXLWMPZTWPN-MRXNPFEDSA-N 1 0 320.477 3.424 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1O ZINC001143103841 1092615298 /nfs/dbraw/zinc/61/52/98/1092615298.db2.gz LQSXWYBNOBDYAN-SFHVURJKSA-N 1 0 309.425 3.376 20 10 DGCDRO C[N@H+](Cc1cccc(C(C)(C)C)c1O)[C@@H]1CCC2(C1)OCCO2 ZINC001143117156 1092617975 /nfs/dbraw/zinc/61/79/75/1092617975.db2.gz VSVJMBDJCYBNEW-OAHLLOKOSA-N 1 0 319.445 3.417 20 10 DGCDRO CC[N@H+](CCn1ccnc1)Cc1cccc(C(C)(C)C)c1O ZINC001143116784 1092618191 /nfs/dbraw/zinc/61/81/91/1092618191.db2.gz KWTHGNQGJJLADR-UHFFFAOYSA-N 1 0 301.434 3.408 20 10 DGCDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CC12CC2 ZINC001143117092 1092618496 /nfs/dbraw/zinc/61/84/96/1092618496.db2.gz SDUFAVKVUODCRN-OAHLLOKOSA-N 1 0 317.429 3.075 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3Cc4ccccc4C3)CC2)cc1 ZINC001209319696 1092733860 /nfs/dbraw/zinc/73/38/60/1092733860.db2.gz NNGJZNJRGBJQJQ-UHFFFAOYSA-N 1 0 322.452 3.232 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)cc1 ZINC001209516131 1092804155 /nfs/dbraw/zinc/80/41/55/1092804155.db2.gz AODRQUORPVJPFD-ROUUACIJSA-N 1 0 316.420 3.246 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[NH2+]C[C@H](F)C2)cc1Cl ZINC001210610304 1093225886 /nfs/dbraw/zinc/22/58/86/1093225886.db2.gz MKLJOTHIVVKIBR-LBPRGKRZSA-N 1 0 314.832 3.086 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2nc(C)cs2)c1 ZINC000185311375 1094237043 /nfs/dbraw/zinc/23/70/43/1094237043.db2.gz URPFUIPWXLJCQG-LBPRGKRZSA-N 1 0 306.431 3.449 20 10 DGCDRO Nc1ccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC001120269652 1094398058 /nfs/dbraw/zinc/39/80/58/1094398058.db2.gz XGYHOAQJFCTGER-UHFFFAOYSA-N 1 0 319.412 3.014 20 10 DGCDRO Cc1ccc2c(c1)[C@@H](Oc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001217960342 1094530607 /nfs/dbraw/zinc/53/06/07/1094530607.db2.gz LRAZJZNPDHOVNC-FQEVSTJZSA-N 1 0 308.425 3.471 20 10 DGCDRO C[C@H]1CC[NH2+][C@H](C(=O)N(Cc2ccccc2)c2ccc(N)cc2)C1 ZINC001218956256 1094914436 /nfs/dbraw/zinc/91/44/36/1094914436.db2.gz UNZXGCRTKAZVPQ-KXBFYZLASA-N 1 0 323.440 3.190 20 10 DGCDRO CCN(CC(=O)OC(C)(C)C)Cc1ccc(N(C)C)c(C)c1 ZINC001139672893 1095011985 /nfs/dbraw/zinc/01/19/85/1095011985.db2.gz LREOBIVVQQFJAO-UHFFFAOYSA-N 1 0 306.450 3.225 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](CO)Cc1ccco1 ZINC001337785007 1095094812 /nfs/dbraw/zinc/09/48/12/1095094812.db2.gz INRJORRTRRNCAJ-IIAWOOMASA-N 1 0 315.413 3.283 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@](C)(O)C(F)(F)F ZINC001337800183 1095099275 /nfs/dbraw/zinc/09/92/75/1095099275.db2.gz LHHBXINPABQDNS-GPCCPHFNSA-N 1 0 303.324 3.152 20 10 DGCDRO Oc1ccc(CC[NH2+][C@@H]2CCc3c(Cl)cccc3C2)cc1O ZINC001171017639 1095134510 /nfs/dbraw/zinc/13/45/10/1095134510.db2.gz JUIJSFAHPIDULR-CQSZACIVSA-N 1 0 317.816 3.441 20 10 DGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001338185064 1095214491 /nfs/dbraw/zinc/21/44/91/1095214491.db2.gz CZHZFFRWCOIOFM-HZSPNIEDSA-N 1 0 318.417 3.069 20 10 DGCDRO Oc1cc2c(cc1O)C[N@H+](Cc1ccc3c(c1)COC3)CCC2 ZINC001137029278 1095297563 /nfs/dbraw/zinc/29/75/63/1095297563.db2.gz VUFMFSMQHKOXMY-UHFFFAOYSA-N 1 0 311.381 3.076 20 10 DGCDRO CCCC(C)(C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116031421 1095440264 /nfs/dbraw/zinc/44/02/64/1095440264.db2.gz FFFVIGYZGAKQNS-UHFFFAOYSA-N 1 0 307.457 3.246 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@@]23CCC[NH2+]C3)c2ccccc21 ZINC001222191626 1095484611 /nfs/dbraw/zinc/48/46/11/1095484611.db2.gz NYXLSJPRCGPQPP-HXUWFJFHSA-N 1 0 309.457 3.234 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCOC(C)(C)C)CC2)cc1 ZINC001116417916 1095543148 /nfs/dbraw/zinc/54/31/48/1095543148.db2.gz QFGYHTAMNRFODZ-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320763 1095550333 /nfs/dbraw/zinc/55/03/33/1095550333.db2.gz MSJNKVOGHHEIHG-MRXNPFEDSA-N 1 0 312.816 3.293 20 10 DGCDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001116444985 1095558036 /nfs/dbraw/zinc/55/80/36/1095558036.db2.gz KPTWBHNDRFFBDG-HOTGVXAUSA-N 1 0 319.468 3.198 20 10 DGCDRO Oc1c(CN2CCC[C@]3(CCC[NH2+]3)C2)cccc1C(F)(F)F ZINC001222353684 1095568551 /nfs/dbraw/zinc/56/85/51/1095568551.db2.gz FGTLFMADYQMZEJ-OAHLLOKOSA-N 1 0 314.351 3.129 20 10 DGCDRO CC(=O)N1CCC(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001116565002 1095602418 /nfs/dbraw/zinc/60/24/18/1095602418.db2.gz DCHGTPIAVSUVIQ-XJKSGUPXSA-N 1 0 316.445 3.097 20 10 DGCDRO Cc1noc(CCC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC001116569022 1095603392 /nfs/dbraw/zinc/60/33/92/1095603392.db2.gz YCLCYRLYWSUSFG-WCQYABFASA-N 1 0 301.390 3.163 20 10 DGCDRO Cc1noc(CCC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC001116569023 1095603405 /nfs/dbraw/zinc/60/34/05/1095603405.db2.gz YCLCYRLYWSUSFG-YPMHNXCESA-N 1 0 301.390 3.163 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2N(C)C)c1O ZINC001116583659 1095606611 /nfs/dbraw/zinc/60/66/11/1095606611.db2.gz NDZMJHLLLGQKAG-ZIAGYGMSSA-N 1 0 312.841 3.017 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)c2ccccc21 ZINC001222471781 1095632217 /nfs/dbraw/zinc/63/22/17/1095632217.db2.gz XWXFISQGCKQSPZ-HXUWFJFHSA-N 1 0 309.457 3.234 20 10 DGCDRO Cc1[nH+]ccc(NCc2cc(Br)ccc2O)c1F ZINC001171176699 1095645823 /nfs/dbraw/zinc/64/58/23/1095645823.db2.gz XBSGNAMJHQOANK-UHFFFAOYSA-N 1 0 311.154 3.031 20 10 DGCDRO [NH3+]Cc1cccc(NCc2cc(Br)ccc2O)c1 ZINC001171175945 1095649603 /nfs/dbraw/zinc/64/96/03/1095649603.db2.gz UWPBGOCCSQWRGQ-UHFFFAOYSA-N 1 0 307.191 3.226 20 10 DGCDRO OC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001339894688 1095770747 /nfs/dbraw/zinc/77/07/47/1095770747.db2.gz DLMWUZVSPDEZEF-FQEVSTJZSA-N 1 0 324.468 3.370 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001138122517 1095895563 /nfs/dbraw/zinc/89/55/63/1095895563.db2.gz KEVSKQFCWMMYSU-UHFFFAOYSA-N 1 0 315.388 3.101 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2(C3CC3)CCOCC2)cc1 ZINC001117971230 1095913655 /nfs/dbraw/zinc/91/36/55/1095913655.db2.gz LCFRFNDKMBWDKC-ARJAWSKDSA-N 1 0 300.446 3.315 20 10 DGCDRO C[C@H]([NH2+]CCOCCCO)c1ccc(N2CCCCCC2)cc1 ZINC001340992348 1096088668 /nfs/dbraw/zinc/08/86/68/1096088668.db2.gz QSMGXMPJJKLUMD-KRWDZBQOSA-N 1 0 320.477 3.117 20 10 DGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118851761 1096092005 /nfs/dbraw/zinc/09/20/05/1096092005.db2.gz DJJBTCXBESFDIS-INIZCTEOSA-N 1 0 314.420 3.164 20 10 DGCDRO CC[C@H]([NH2+]Cc1c(O)cccc1Br)[C@@H]1CCCO1 ZINC001118858642 1096093471 /nfs/dbraw/zinc/09/34/71/1096093471.db2.gz PDYCJPNZVARDMK-JSGCOSHPSA-N 1 0 314.223 3.202 20 10 DGCDRO CCOc1cccc(C[NH+]2CC(CC3CCOCC3)C2)c1O ZINC001119517059 1096218663 /nfs/dbraw/zinc/21/86/63/1096218663.db2.gz MRFRACATVXHCIU-UHFFFAOYSA-N 1 0 305.418 3.039 20 10 DGCDRO COc1ccc(N2CC3(C2)CC[N@@H+](C2CCCC2)C3)c(OC)c1 ZINC001276993864 1096276330 /nfs/dbraw/zinc/27/63/30/1096276330.db2.gz GNHRXKAHXASXBE-UHFFFAOYSA-N 1 0 316.445 3.159 20 10 DGCDRO c1cc2c(cc1N1CC[C@H]3[C@@H]1CC[N@H+]3C1CCCC1)OCCO2 ZINC001277014265 1096336540 /nfs/dbraw/zinc/33/65/40/1096336540.db2.gz NXNGGBYASKQSKI-IRXDYDNUSA-N 1 0 314.429 3.053 20 10 DGCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1O ZINC001172546999 1097188854 /nfs/dbraw/zinc/18/88/54/1097188854.db2.gz RHLRGUWAHOTJJR-ALKREAHSSA-N 1 0 313.397 3.057 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2COc3cccc(OC)c3C2)cc1C ZINC001173151568 1097350296 /nfs/dbraw/zinc/35/02/96/1097350296.db2.gz VMEOAYCVFMCZIB-HNNXBMFYSA-N 1 0 313.397 3.106 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1O ZINC001173221571 1097371976 /nfs/dbraw/zinc/37/19/76/1097371976.db2.gz NVEURFWMRINDSS-CYBMUJFWSA-N 1 0 300.358 3.330 20 10 DGCDRO NC(=O)CC1CCC2(CC1)CC[NH+](Cc1ccccc1O)CC2 ZINC001277440853 1097432353 /nfs/dbraw/zinc/43/23/53/1097432353.db2.gz GFHJORAJYPGEPD-UHFFFAOYSA-N 1 0 316.445 3.040 20 10 DGCDRO COC(=O)c1ccc(C[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC001173712694 1097500722 /nfs/dbraw/zinc/50/07/22/1097500722.db2.gz TUNCBKKXAOWRAI-UONOGXRCSA-N 1 0 313.397 3.461 20 10 DGCDRO Cc1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c1O ZINC001277519730 1097752275 /nfs/dbraw/zinc/75/22/75/1097752275.db2.gz JAFNVJXTMKBFCA-HDICACEKSA-N 1 0 318.436 3.431 20 10 DGCDRO COc1ccc(Br)c(C[NH+]2CCC(C)CC2)c1O ZINC001231546925 1097777171 /nfs/dbraw/zinc/77/71/71/1097777171.db2.gz CPHQVLZTFSHBBG-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO CC[N@H+](Cc1c(Br)ccc(OC)c1O)C1CC1 ZINC001231548708 1097778312 /nfs/dbraw/zinc/77/83/12/1097778312.db2.gz XZQKZSBLFNJNJW-UHFFFAOYSA-N 1 0 300.196 3.148 20 10 DGCDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231589593 1097785438 /nfs/dbraw/zinc/78/54/38/1097785438.db2.gz MCLZBNBTKRTEMQ-QWQRMKEZSA-N 1 0 311.381 3.071 20 10 DGCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(C)c1O)C2 ZINC001231592577 1097786730 /nfs/dbraw/zinc/78/67/30/1097786730.db2.gz NTMCPPJTNMZKTA-VQIMIIECSA-N 1 0 319.445 3.108 20 10 DGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC001231592182 1097787285 /nfs/dbraw/zinc/78/72/85/1097787285.db2.gz FRCCBRYKCYOLMI-CQSZACIVSA-N 1 0 301.390 3.026 20 10 DGCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(C)c1O)C2 ZINC001231592574 1097787311 /nfs/dbraw/zinc/78/73/11/1097787311.db2.gz NTMCPPJTNMZKTA-LPHOPBHVSA-N 1 0 319.445 3.108 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1O ZINC001231594657 1097788540 /nfs/dbraw/zinc/78/85/40/1097788540.db2.gz MPGZPYJLLLQJGP-QUCCMNQESA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCN(c3ncccc3C)CC2)c(O)c1 ZINC001231843305 1097860815 /nfs/dbraw/zinc/86/08/15/1097860815.db2.gz VIIYHMHFUMNFNT-UHFFFAOYSA-N 1 0 311.429 3.035 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001231842237 1097860853 /nfs/dbraw/zinc/86/08/53/1097860853.db2.gz LLOJFOTXVFGIIA-HNNXBMFYSA-N 1 0 317.351 3.288 20 10 DGCDRO Cc1nc([C@H]2CCC[N@H+](Cc3c(C)cc(C)cc3O)C2)no1 ZINC001231843475 1097860878 /nfs/dbraw/zinc/86/08/78/1097860878.db2.gz ZSTKLXPBUDKBTA-AWEZNQCLSA-N 1 0 301.390 3.080 20 10 DGCDRO CC[C@@H]1[N@H+](Cc2c(C)cc(C)cc2O)CCC[C@]12CCC(=O)N2 ZINC001231844713 1097861614 /nfs/dbraw/zinc/86/16/14/1097861614.db2.gz NPRDSNWEWNYCDR-HKUYNNGSSA-N 1 0 316.445 3.032 20 10 DGCDRO Cc1cc(C)c(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(O)c1 ZINC001231844071 1097862714 /nfs/dbraw/zinc/86/27/14/1097862714.db2.gz GJASDXCEJDLKTH-LJQANCHMSA-N 1 0 310.441 3.498 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)c(O)c1 ZINC001231850448 1097863256 /nfs/dbraw/zinc/86/32/56/1097863256.db2.gz PUILUCKBQRCBFP-MRXNPFEDSA-N 1 0 312.413 3.366 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCc2ccsc2C1 ZINC001231853580 1097865181 /nfs/dbraw/zinc/86/51/81/1097865181.db2.gz MBQOIOHHFFJNTL-UHFFFAOYSA-N 1 0 302.443 3.381 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231868336 1097869885 /nfs/dbraw/zinc/86/98/85/1097869885.db2.gz UDCLUODZJDKSLH-VXGBXAGGSA-N 1 0 311.809 3.128 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC3(C[C@H]3CCO)CC2)cc1Cl ZINC001231868334 1097870883 /nfs/dbraw/zinc/87/08/83/1097870883.db2.gz UADZKMQPRMQYBV-CQSZACIVSA-N 1 0 309.837 3.339 20 10 DGCDRO CC[N@H+](Cc1cnc(-c2cccnc2)o1)Cc1ccccc1O ZINC001232132883 1097945247 /nfs/dbraw/zinc/94/52/47/1097945247.db2.gz BLTRQUMYIXTHIZ-UHFFFAOYSA-N 1 0 309.369 3.464 20 10 DGCDRO COc1ccccc1CC[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232264468 1097986052 /nfs/dbraw/zinc/98/60/52/1097986052.db2.gz CKIAFLIZZIIQFE-UHFFFAOYSA-N 1 0 321.804 3.434 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)c(O)cc1O)C[C@H]1Cc2ccccc2O1 ZINC001232266791 1097986347 /nfs/dbraw/zinc/98/63/47/1097986347.db2.gz YVEKNXJKFRFXLQ-CYBMUJFWSA-N 1 0 319.788 3.187 20 10 DGCDRO COC(=O)c1c(C[NH+]2CCC(C)(F)CC2)c2ccccc2n1C ZINC001232403138 1098028683 /nfs/dbraw/zinc/02/86/83/1098028683.db2.gz UTQLPRIBWMIEKU-UHFFFAOYSA-N 1 0 318.392 3.289 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c(O)c1 ZINC001232839992 1098149206 /nfs/dbraw/zinc/14/92/06/1098149206.db2.gz ZKZPADLQERNUCX-SFHVURJKSA-N 1 0 311.429 3.060 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001232836560 1098149452 /nfs/dbraw/zinc/14/94/52/1098149452.db2.gz PYHFRXANSPBMAB-CQSZACIVSA-N 1 0 320.330 3.182 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001232842061 1098150383 /nfs/dbraw/zinc/15/03/83/1098150383.db2.gz YPQGFZIGNXAIGP-QGZVFWFLSA-N 1 0 324.424 3.163 20 10 DGCDRO Oc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc(O)c1O ZINC001233017593 1098204420 /nfs/dbraw/zinc/20/44/20/1098204420.db2.gz HTIJLXJXSUNQAJ-OAHLLOKOSA-N 1 0 317.360 3.150 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC3(CC3)C2)cc1Br ZINC001233137350 1098235188 /nfs/dbraw/zinc/23/51/88/1098235188.db2.gz JOIWHZQNPZCIKZ-UHFFFAOYSA-N 1 0 312.207 3.149 20 10 DGCDRO Cc1cc(C[NH2+]CC2(C3(O)CCC3)CCC2)ccc1N(C)C ZINC001176053585 1098251393 /nfs/dbraw/zinc/25/13/93/1098251393.db2.gz XZQPEZBFUOMLGZ-UHFFFAOYSA-N 1 0 302.462 3.236 20 10 DGCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H]2C)c2ccccc2n1C ZINC001233270647 1098269910 /nfs/dbraw/zinc/26/99/10/1098269910.db2.gz VIXDCBPHSOZAKE-ZDUSSCGKSA-N 1 0 300.402 3.339 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC3(CC(=O)CO3)CC2)c1 ZINC001233284481 1098274154 /nfs/dbraw/zinc/27/41/54/1098274154.db2.gz WNVFRINUACMFQI-UHFFFAOYSA-N 1 0 317.429 3.014 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286140 1098276301 /nfs/dbraw/zinc/27/63/01/1098276301.db2.gz HABBECNXSLLEQA-CQSZACIVSA-N 1 0 319.445 3.465 20 10 DGCDRO C[N@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001233286771 1098276492 /nfs/dbraw/zinc/27/64/92/1098276492.db2.gz ILALFPIGLHFYOA-MRXNPFEDSA-N 1 0 319.445 3.417 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC001233286397 1098276817 /nfs/dbraw/zinc/27/68/17/1098276817.db2.gz SBVYLIHGNCEYLS-QGZVFWFLSA-N 1 0 302.462 3.360 20 10 DGCDRO COC(=O)/C=C/c1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC001233299909 1098281207 /nfs/dbraw/zinc/28/12/07/1098281207.db2.gz UHHAVCVZMDVWRV-VAWYXSNFSA-N 1 0 311.381 3.210 20 10 DGCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001233332480 1098290389 /nfs/dbraw/zinc/29/03/89/1098290389.db2.gz MJUMHEGIOCHUKJ-VXNVDRBHSA-N 1 0 313.241 3.250 20 10 DGCDRO Oc1c(CN2CC[N@@H+]3CCCC[C@H]3C2)cccc1C(F)(F)F ZINC001233417891 1098323516 /nfs/dbraw/zinc/32/35/16/1098323516.db2.gz MBQJDURHMPBDPD-ZDUSSCGKSA-N 1 0 314.351 3.081 20 10 DGCDRO CC[N@H+](CCCC(=O)OC)Cc1ccc(C(F)(F)F)cc1O ZINC001233452194 1098337934 /nfs/dbraw/zinc/33/79/34/1098337934.db2.gz NNEQXCCRXGMCEE-UHFFFAOYSA-N 1 0 319.323 3.186 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(C(F)(F)F)cc2O)[C@@](C)(CO)C1 ZINC001233452424 1098338616 /nfs/dbraw/zinc/33/86/16/1098338616.db2.gz WBGQNOILKWLQLP-OAHLLOKOSA-N 1 0 317.351 3.394 20 10 DGCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233452476 1098338642 /nfs/dbraw/zinc/33/86/42/1098338642.db2.gz YBEMCTJLTWDJOO-WDEREUQCSA-N 1 0 303.324 3.004 20 10 DGCDRO CC(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454386 1098339643 /nfs/dbraw/zinc/33/96/43/1098339643.db2.gz SOVAQDGELZDANC-UHFFFAOYSA-N 1 0 301.308 3.212 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001233455334 1098340316 /nfs/dbraw/zinc/34/03/16/1098340316.db2.gz GFZQZTKKQAPOKU-CYBMUJFWSA-N 1 0 301.308 3.022 20 10 DGCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455253 1098341293 /nfs/dbraw/zinc/34/12/93/1098341293.db2.gz CIOGFTBQCGSPBA-CQSZACIVSA-N 1 0 314.351 3.080 20 10 DGCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@H]12 ZINC001233455863 1098343109 /nfs/dbraw/zinc/34/31/09/1098343109.db2.gz BOFCDYVLKLKJSY-MFKMUULPSA-N 1 0 313.319 3.212 20 10 DGCDRO CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)C[NH+](CC)CC ZINC001233497643 1098351304 /nfs/dbraw/zinc/35/13/04/1098351304.db2.gz QHAUFXMKHQQDTO-GFCCVEGCSA-N 1 0 309.406 3.190 20 10 DGCDRO Oc1c(CN2Cc3cccnc3C2)cccc1OC(F)(F)F ZINC001233726705 1098416492 /nfs/dbraw/zinc/41/64/92/1098416492.db2.gz GMJGJPFYPYLLEV-UHFFFAOYSA-N 1 0 310.275 3.202 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@]23CCOC3)cccc1OC(F)(F)F ZINC001233768179 1098427513 /nfs/dbraw/zinc/42/75/13/1098427513.db2.gz LNVCXFDPWVWVDI-CQSZACIVSA-N 1 0 317.307 3.046 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)[C@H](C)C1 ZINC001233776171 1098429157 /nfs/dbraw/zinc/42/91/57/1098429157.db2.gz MCGAKZNYWLHKQB-PWSUYJOCSA-N 1 0 319.323 3.290 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCC[C@H](C)C1 ZINC001177261672 1098507867 /nfs/dbraw/zinc/50/78/67/1098507867.db2.gz IPISWIIBOLMLBX-HOTGVXAUSA-N 1 0 302.462 3.222 20 10 DGCDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(COC4)CC3)c2c1 ZINC001234518050 1098576863 /nfs/dbraw/zinc/57/68/63/1098576863.db2.gz BHAXLNABNHMKJF-UHFFFAOYSA-N 1 0 313.397 3.166 20 10 DGCDRO COc1ccc2ccc(O)c(C[NH+]3CC4(C3)CCOCC4)c2c1 ZINC001234553158 1098595873 /nfs/dbraw/zinc/59/58/73/1098595873.db2.gz XNKGIXQNKDEYRI-UHFFFAOYSA-N 1 0 313.397 3.166 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2ccc(N(C)C)cc2C)c(C)n1 ZINC001177804417 1098619467 /nfs/dbraw/zinc/61/94/67/1098619467.db2.gz OKOPCPCVSIDMKR-UHFFFAOYSA-N 1 0 313.445 3.371 20 10 DGCDRO C[C@H](CCc1cccn1C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001177855591 1098632520 /nfs/dbraw/zinc/63/25/20/1098632520.db2.gz ZROLBENISDCKAB-CYBMUJFWSA-N 1 0 321.415 3.480 20 10 DGCDRO CC[NH+]1CCN(c2ccc(OC[C@@H]3CCC(C)(C)O3)cc2)CC1 ZINC001234657942 1098634727 /nfs/dbraw/zinc/63/47/27/1098634727.db2.gz NJTSRITYHHQZDD-SFHVURJKSA-N 1 0 318.461 3.165 20 10 DGCDRO Oc1c(C[NH+]2CCN(CCF)CC2)cccc1-c1ccccc1 ZINC001234996894 1098740919 /nfs/dbraw/zinc/74/09/19/1098740919.db2.gz PCJQQAHLQKTUFV-UHFFFAOYSA-N 1 0 314.404 3.146 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@@]12CC[NH2+]C2 ZINC001235113985 1098814835 /nfs/dbraw/zinc/81/48/35/1098814835.db2.gz IDJCNBIJNLDFGS-AWEZNQCLSA-N 1 0 301.217 3.027 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@]12CC[NH2+]C2 ZINC001235113986 1098816909 /nfs/dbraw/zinc/81/69/09/1098816909.db2.gz IDJCNBIJNLDFGS-CQSZACIVSA-N 1 0 301.217 3.027 20 10 DGCDRO Cc1cc(CN2CC(F)(F)CC23CC[NH2+]CC3)ccc1N(C)C ZINC001235132307 1098827600 /nfs/dbraw/zinc/82/76/00/1098827600.db2.gz NTWYRFAHECEMJO-UHFFFAOYSA-N 1 0 323.431 3.024 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235132244 1098827608 /nfs/dbraw/zinc/82/76/08/1098827608.db2.gz HYKMMEKLKYHXNY-UHFFFAOYSA-N 1 0 312.816 3.150 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235152804 1098839256 /nfs/dbraw/zinc/83/92/56/1098839256.db2.gz BIRGRCNJUJBYCE-GOSISDBHSA-N 1 0 318.461 3.145 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153296 1098839679 /nfs/dbraw/zinc/83/96/79/1098839679.db2.gz JIEHPETZRSWOQX-INIZCTEOSA-N 1 0 308.853 3.400 20 10 DGCDRO [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155518 1098841436 /nfs/dbraw/zinc/84/14/36/1098841436.db2.gz OXIKEFOCYSOYSF-MRXNPFEDSA-N 1 0 310.388 3.025 20 10 DGCDRO [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155514 1098842301 /nfs/dbraw/zinc/84/23/01/1098842301.db2.gz OXIKEFOCYSOYSF-INIZCTEOSA-N 1 0 310.388 3.025 20 10 DGCDRO Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001178594321 1098868248 /nfs/dbraw/zinc/86/82/48/1098868248.db2.gz GPEZVVMPUZOBHR-GOSISDBHSA-N 1 0 309.409 3.364 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)CC2CCCC2)cc1 ZINC001178571827 1098879528 /nfs/dbraw/zinc/87/95/28/1098879528.db2.gz ZFWNODOFPFQOHO-MOTZXUDYSA-N 1 0 302.462 3.297 20 10 DGCDRO [O-]c1ccc(F)c(F)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235237364 1098911243 /nfs/dbraw/zinc/91/12/43/1098911243.db2.gz AOHGIDNBPGMRFN-OAHLLOKOSA-N 1 0 310.388 3.025 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001235258994 1098931796 /nfs/dbraw/zinc/93/17/96/1098931796.db2.gz UKLMBFSOCHLDOZ-SWLSCSKDSA-N 1 0 308.853 3.137 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)c2ccccc21 ZINC001204233998 1098976782 /nfs/dbraw/zinc/97/67/82/1098976782.db2.gz VZSOHEXFRFRXBZ-KRWDZBQOSA-N 1 0 314.404 3.409 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c(Cl)c1 ZINC001179034987 1099007250 /nfs/dbraw/zinc/00/72/50/1099007250.db2.gz VMHIQWMIFJWJGC-NSHDSACASA-N 1 0 313.825 3.421 20 10 DGCDRO Cc1cc(OC(C)C)ncc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001235431848 1099029282 /nfs/dbraw/zinc/02/92/82/1099029282.db2.gz INHHEEIQUHTSTK-UHFFFAOYSA-N 1 0 312.413 3.441 20 10 DGCDRO Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(N)cc4)C[C@@H]3C2)cc1 ZINC001235520790 1099072554 /nfs/dbraw/zinc/07/25/54/1099072554.db2.gz XZHIMFJGHUGJNV-PMACEKPBSA-N 1 0 321.468 3.141 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(O)c1 ZINC001235673900 1099116357 /nfs/dbraw/zinc/11/63/57/1099116357.db2.gz BGKQFNPGGIMZOG-CQSZACIVSA-N 1 0 313.388 3.139 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(O)c1 ZINC001235673898 1099116984 /nfs/dbraw/zinc/11/69/84/1099116984.db2.gz BGKQFNPGGIMZOG-AWEZNQCLSA-N 1 0 313.388 3.139 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235678680 1099122163 /nfs/dbraw/zinc/12/21/63/1099122163.db2.gz KTJJSXGMOBAGEF-AWEZNQCLSA-N 1 0 319.445 3.465 20 10 DGCDRO CC(C)(C)c1ccc(C[NH+]2CCC(n3cnnc3)CC2)c(O)c1 ZINC001235678625 1099122213 /nfs/dbraw/zinc/12/22/13/1099122213.db2.gz JRZJJTRBMDAAFO-UHFFFAOYSA-N 1 0 314.433 3.118 20 10 DGCDRO C1=C[C@H](CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001179501842 1099125258 /nfs/dbraw/zinc/12/52/58/1099125258.db2.gz FVHSCJCSLBDVJX-KRWDZBQOSA-N 1 0 300.446 3.359 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+]C[C@H]1c1ccccc1F ZINC001235735583 1099154069 /nfs/dbraw/zinc/15/40/69/1099154069.db2.gz IGBKRPDAIBGTOC-INIZCTEOSA-N 1 0 320.795 3.331 20 10 DGCDRO Cc1ccc(C)c(CN2CC[NH2+]C[C@@H]2c2ccccc2F)c1O ZINC001235736896 1099155256 /nfs/dbraw/zinc/15/52/56/1099155256.db2.gz PZAMZJQTTDJCKO-GOSISDBHSA-N 1 0 314.404 3.295 20 10 DGCDRO Oc1ccc(F)cc1CN1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001235791869 1099181608 /nfs/dbraw/zinc/18/16/08/1099181608.db2.gz 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ZINC001235988877 1099313292 /nfs/dbraw/zinc/31/32/92/1099313292.db2.gz ARVLLJYDYHUZSE-YVEFUNNKSA-N 1 0 308.853 3.266 20 10 DGCDRO CC[NH+](CC)CC(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001180389450 1099391849 /nfs/dbraw/zinc/39/18/49/1099391849.db2.gz IWSBGGAGQGBJGF-UHFFFAOYSA-N 1 0 311.429 3.144 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236113905 1099401840 /nfs/dbraw/zinc/40/18/40/1099401840.db2.gz KNALAZZBMPSSDU-ZDUSSCGKSA-N 1 0 308.834 3.254 20 10 DGCDRO Cc1ccc(C)c(CN2CC[NH2+]C[C@H]2c2ccc(F)cc2)c1O ZINC001236124774 1099412878 /nfs/dbraw/zinc/41/28/78/1099412878.db2.gz ISMAMEHEZJKCAQ-SFHVURJKSA-N 1 0 314.404 3.295 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1O ZINC001180593001 1099468069 /nfs/dbraw/zinc/46/80/69/1099468069.db2.gz IMXZTKCGMRYTMN-ZIAGYGMSSA-N 1 0 311.809 3.101 20 10 DGCDRO CN(Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219709 1099478176 /nfs/dbraw/zinc/47/81/76/1099478176.db2.gz XMXDJTIPSNXEIQ-RBUKOAKNSA-N 1 0 313.489 3.087 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236222263 1099480035 /nfs/dbraw/zinc/48/00/35/1099480035.db2.gz LONMHJKLZONJMG-LBPRGKRZSA-N 1 0 315.244 3.415 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1 ZINC001180635195 1099480597 /nfs/dbraw/zinc/48/05/97/1099480597.db2.gz WYGXQDZWSGYCQM-SJORKVTESA-N 1 0 307.434 3.391 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCc4ccc(N)cc4C3)ccc21 ZINC001236232280 1099485671 /nfs/dbraw/zinc/48/56/71/1099485671.db2.gz LZOZLQVKECTUPI-UHFFFAOYSA-N 1 0 307.441 3.210 20 10 DGCDRO CO[C@@H](CC(C)C)CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001180666313 1099487056 /nfs/dbraw/zinc/48/70/56/1099487056.db2.gz WLOVBRNZTVXVHW-SFHVURJKSA-N 1 0 308.466 3.124 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236238918 1099491756 /nfs/dbraw/zinc/49/17/56/1099491756.db2.gz DPCRWCCHUXLSAV-AWEZNQCLSA-N 1 0 314.351 3.127 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376965 1099562923 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Cc1cc(Br)c(O)c(CN2C[C@H](F)C[C@H]2C)c1 ZINC001236662408 1099729548 /nfs/dbraw/zinc/72/95/48/1099729548.db2.gz DQFUMPRMAXQHKI-MWLCHTKSSA-N 1 0 302.187 3.395 20 10 DGCDRO COc1cc(C[N@H+](C)CC(C)C)c(O)cc1Br ZINC001236745448 1099769205 /nfs/dbraw/zinc/76/92/05/1099769205.db2.gz OURXDOHUNFNSBO-UHFFFAOYSA-N 1 0 302.212 3.251 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1OC ZINC001236752372 1099772496 /nfs/dbraw/zinc/77/24/96/1099772496.db2.gz PRFLRGPQNNTEQM-KGLIPLIRSA-N 1 0 305.418 3.422 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236779127 1099780562 /nfs/dbraw/zinc/78/05/62/1099780562.db2.gz QIWNICSZDCMEHO-GOSISDBHSA-N 1 0 313.397 3.192 20 10 DGCDRO CCc1ccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236795598 1099790098 /nfs/dbraw/zinc/79/00/98/1099790098.db2.gz WXVLTXZVJHWYQQ-HNNXBMFYSA-N 1 0 305.418 3.118 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c(Cl)c1 ZINC001236798573 1099792849 /nfs/dbraw/zinc/79/28/49/1099792849.db2.gz PDBXULHDYTZVOE-MRXNPFEDSA-N 1 0 311.809 3.199 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(SC)CC2)c(Cl)c1 ZINC001236803314 1099797210 /nfs/dbraw/zinc/79/72/10/1099797210.db2.gz MAYWAWQEJPIKJC-UHFFFAOYSA-N 1 0 301.839 3.382 20 10 DGCDRO COc1cc(O)c(C[N@H+](CCCCCO)C(C)C)c(Cl)c1 ZINC001236808065 1099801006 /nfs/dbraw/zinc/80/10/06/1099801006.db2.gz MVEHNSVQTYSRNV-UHFFFAOYSA-N 1 0 315.841 3.427 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001236807504 1099801085 /nfs/dbraw/zinc/80/10/85/1099801085.db2.gz HDKBXPNTCSTYRE-UHFFFAOYSA-N 1 0 319.788 3.318 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCc3ccc(F)cc3C2)c(O)c1 ZINC001236810425 1099801170 /nfs/dbraw/zinc/80/11/70/1099801170.db2.gz GRAQBDXXASWRHY-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2cccc3c2OCO3)c(O)c1 ZINC001236816727 1099803478 /nfs/dbraw/zinc/80/34/78/1099803478.db2.gz VTKCYDSCXVTXQA-UHFFFAOYSA-N 1 0 315.369 3.070 20 10 DGCDRO Cn1cnnc1C1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236830476 1099813346 /nfs/dbraw/zinc/81/33/46/1099813346.db2.gz ATECZFDVOLOHHJ-UHFFFAOYSA-N 1 0 322.412 3.054 20 10 DGCDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc2ccccc2cc1O ZINC001236829595 1099813488 /nfs/dbraw/zinc/81/34/88/1099813488.db2.gz IZCBGRIGBAMXKZ-FQEVSTJZSA-N 1 0 324.424 3.132 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236830559 1099815330 /nfs/dbraw/zinc/81/53/30/1099815330.db2.gz BNNQJBNSVMLGJZ-IBGZPJMESA-N 1 0 313.397 3.321 20 10 DGCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236831456 1099816438 /nfs/dbraw/zinc/81/64/38/1099816438.db2.gz HDZQPPAOAHUHKN-CJNGLKHVSA-N 1 0 313.397 3.319 20 10 DGCDRO O=C1CCC2(CC[NH+](Cc3cc4ccccc4cc3O)CC2)O1 ZINC001236831139 1099818329 /nfs/dbraw/zinc/81/83/29/1099818329.db2.gz FKOZRKDOMSOBCH-UHFFFAOYSA-N 1 0 311.381 3.217 20 10 DGCDRO CC[C@H]([NH3+])CN(C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236884119 1099850745 /nfs/dbraw/zinc/85/07/45/1099850745.db2.gz KJFXLYZUKGOGAL-KRWDZBQOSA-N 1 0 302.393 3.367 20 10 DGCDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N)cc2)cc1 ZINC001237044188 1099942110 /nfs/dbraw/zinc/94/21/10/1099942110.db2.gz UXMJISQNIQOHSN-SFHVURJKSA-N 1 0 310.397 3.393 20 10 DGCDRO CC[NH+](CC)C[C@H]1CN(Cc2ccc(C(C)C)cc2O)CCO1 ZINC001237050398 1099943774 /nfs/dbraw/zinc/94/37/74/1099943774.db2.gz BAGHRXZTOCRTOK-SFHVURJKSA-N 1 0 320.477 3.058 20 10 DGCDRO CC(C)c1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c(O)c1 ZINC001237052262 1099944586 /nfs/dbraw/zinc/94/45/86/1099944586.db2.gz SQSTXUIOTBPDBZ-IBGZPJMESA-N 1 0 316.445 3.102 20 10 DGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c(O)c1 ZINC001237055966 1099947844 /nfs/dbraw/zinc/94/78/44/1099947844.db2.gz STHGEPKHWUGZNI-GOSISDBHSA-N 1 0 303.402 3.187 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCCCC2)c(Br)c1 ZINC001237062030 1099953705 /nfs/dbraw/zinc/95/37/05/1099953705.db2.gz JAMXGBFCPWCADQ-UHFFFAOYSA-N 1 0 300.196 3.149 20 10 DGCDRO C[N@@H+]1CCC[C@H]2CN(Cc3c(O)ccc(Cl)c3Cl)C[C@H]21 ZINC001237084618 1099960458 /nfs/dbraw/zinc/96/04/58/1099960458.db2.gz MFKHFLIYQXIIGS-GXFFZTMASA-N 1 0 315.244 3.225 20 10 DGCDRO CC[N@@H+]1CCN(Cc2c(O)ccc(Cl)c2Cl)C[C@H]1C ZINC001237087515 1099964503 /nfs/dbraw/zinc/96/45/03/1099964503.db2.gz YCXBFWYYFJLQPZ-SNVBAGLBSA-N 1 0 303.233 3.225 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001237118562 1099979616 /nfs/dbraw/zinc/97/96/16/1099979616.db2.gz YLBZRAZJELDCLO-AWEZNQCLSA-N 1 0 317.307 3.046 20 10 DGCDRO OCC[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237139012 1099988705 /nfs/dbraw/zinc/98/87/05/1099988705.db2.gz BOSLCNZMWKJHIR-NSHDSACASA-N 1 0 303.324 3.005 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CC3OC=CC3=S)CC2)cc1 ZINC001237185798 1100021405 /nfs/dbraw/zinc/02/14/05/1100021405.db2.gz HZURQJFJSQOGNU-UHFFFAOYSA-N 1 0 318.442 3.289 20 10 DGCDRO CO[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@@H]1C ZINC000691679491 1100023024 /nfs/dbraw/zinc/02/30/24/1100023024.db2.gz SEFGXKSTJGWWJK-IINYFYTJSA-N 1 0 314.223 3.012 20 10 DGCDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237203250 1100029949 /nfs/dbraw/zinc/02/99/49/1100029949.db2.gz BVJHFRPEPDZHGE-PXAZEXFGSA-N 1 0 300.377 3.120 20 10 DGCDRO Cc1cnc2n1CCC21CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237487349 1100141546 /nfs/dbraw/zinc/14/15/46/1100141546.db2.gz YKMDONIKRVHYFS-UHFFFAOYSA-N 1 0 311.429 3.143 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001237493002 1100142990 /nfs/dbraw/zinc/14/29/90/1100142990.db2.gz VAHPJIGXYBVITM-UHFFFAOYSA-N 1 0 319.408 3.445 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(NC(=O)CC(C)(C)C)CC1 ZINC001237494427 1100145032 /nfs/dbraw/zinc/14/50/32/1100145032.db2.gz IPSLPQKHOYXEKF-UHFFFAOYSA-N 1 0 318.461 3.217 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001237640989 1100199551 /nfs/dbraw/zinc/19/95/51/1100199551.db2.gz JPTBDTXCJIPLNI-AEFFLSMTSA-N 1 0 319.351 3.103 20 10 DGCDRO COCC1C[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237641182 1100200107 /nfs/dbraw/zinc/20/01/07/1100200107.db2.gz NWMRYBWEKXENTD-UHFFFAOYSA-N 1 0 301.361 3.277 20 10 DGCDRO COc1cc(C[N@H+](Cc2ccco2)C2CC2)c(O)c(OC)c1 ZINC001237677408 1100212730 /nfs/dbraw/zinc/21/27/30/1100212730.db2.gz BEQUHLQEPRBUIT-UHFFFAOYSA-N 1 0 303.358 3.167 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237687290 1100214324 /nfs/dbraw/zinc/21/43/24/1100214324.db2.gz XCXYMXNKBRUILR-GFCCVEGCSA-N 1 0 311.809 3.129 20 10 DGCDRO CSCC[N@H+](C)Cc1cc(Br)c(C)cc1O ZINC001237686598 1100214773 /nfs/dbraw/zinc/21/47/73/1100214773.db2.gz VKPMFBTYIILZAU-UHFFFAOYSA-N 1 0 304.253 3.258 20 10 DGCDRO C[NH+]1CCC2(CC[N@H+](Cc3cc(F)cc(Cl)c3[O-])C2)CC1 ZINC001237804916 1100251723 /nfs/dbraw/zinc/25/17/23/1100251723.db2.gz HXLDLAKFTKAKRL-UHFFFAOYSA-N 1 0 312.816 3.102 20 10 DGCDRO CCOc1cc(F)cc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001237920845 1100295288 /nfs/dbraw/zinc/29/52/88/1100295288.db2.gz OYRBXCWMNJPTPP-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccsc3C)CC2)cc1 ZINC001237964782 1100302607 /nfs/dbraw/zinc/30/26/07/1100302607.db2.gz MVCHLHFUSCRXRJ-UHFFFAOYSA-N 1 0 302.443 3.387 20 10 DGCDRO Cc1cccnc1O[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238066195 1100347534 /nfs/dbraw/zinc/34/75/34/1100347534.db2.gz JJWYUFZVWSITAX-INIZCTEOSA-N 1 0 316.376 3.196 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC001238063435 1100347958 /nfs/dbraw/zinc/34/79/58/1100347958.db2.gz WJZZUXGGXSNXAV-ZDUSSCGKSA-N 1 0 323.408 3.393 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238065664 1100348570 /nfs/dbraw/zinc/34/85/70/1100348570.db2.gz XRESQDCXPICRDW-ZDUSSCGKSA-N 1 0 309.381 3.005 20 10 DGCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238070760 1100349828 /nfs/dbraw/zinc/34/98/28/1100349828.db2.gz OYBWJLANYCQMRN-RCBQFDQVSA-N 1 0 321.392 3.003 20 10 DGCDRO Cc1cc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)ccc1N(C)C ZINC001196218304 1101268975 /nfs/dbraw/zinc/26/89/75/1101268975.db2.gz ORMPCCLMDKZYJW-LJQANCHMSA-N 1 0 304.478 3.482 20 10 DGCDRO CN(C)c1ccc(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1 ZINC001203937883 1102165090 /nfs/dbraw/zinc/16/50/90/1102165090.db2.gz XHBUPERMWFWJOG-UHFFFAOYSA-N 1 0 321.468 3.070 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC)C2)cc1 ZINC001203942373 1102214710 /nfs/dbraw/zinc/21/47/10/1102214710.db2.gz MXYKQHATWAPQBL-RDJZCZTQSA-N 1 0 318.461 3.164 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001200972189 1102451526 /nfs/dbraw/zinc/45/15/26/1102451526.db2.gz WKPNPGMTHUORIB-GUDVDZBRSA-N 1 0 300.446 3.334 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)NC(=O)OC(C)(C)C ZINC001202279670 1102922710 /nfs/dbraw/zinc/92/27/10/1102922710.db2.gz JSUWCMSBNVRMAK-ZDUSSCGKSA-N 1 0 320.433 3.014 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCC(=O)N2CCC[C@H](C)C2)c(Cl)c1 ZINC001325582764 1103073309 /nfs/dbraw/zinc/07/33/09/1103073309.db2.gz SQRNKSLFHJZHPA-LBPRGKRZSA-N 1 0 324.852 3.092 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(OC)CC2)c(OC)c1 ZINC001138388225 1103103066 /nfs/dbraw/zinc/10/30/66/1103103066.db2.gz STGCPWQGTPSMQN-UHFFFAOYSA-N 1 0 306.450 3.152 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCc2nc(C(C)C)no2)c(Cl)c1 ZINC001326045512 1103192552 /nfs/dbraw/zinc/19/25/52/1103192552.db2.gz HWFQENIKCPLHQX-UHFFFAOYSA-N 1 0 309.797 3.193 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001326500855 1103344292 /nfs/dbraw/zinc/34/42/92/1103344292.db2.gz JPLSQFZOZPHCPS-HZSPNIEDSA-N 1 0 316.445 3.238 20 10 DGCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001327572331 1103684317 /nfs/dbraw/zinc/68/43/17/1103684317.db2.gz IKTMLDVQURTIPH-GOSISDBHSA-N 1 0 302.462 3.174 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1O ZINC001327704494 1103710215 /nfs/dbraw/zinc/71/02/15/1103710215.db2.gz ZZILYNYAMVNRFZ-WBVHZDCISA-N 1 0 319.445 3.490 20 10 DGCDRO Cc1cc(CN2CC[NH+]3CCC2CC3)c(C)n1-c1ccccc1 ZINC001137859275 1103873984 /nfs/dbraw/zinc/87/39/84/1103873984.db2.gz RCIZZJYYLJOTFD-UHFFFAOYSA-N 1 0 309.457 3.374 20 10 DGCDRO COc1ccc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)cn1 ZINC001328788979 1104072934 /nfs/dbraw/zinc/07/29/34/1104072934.db2.gz JNKDIDHJTAZNIY-SNAWJCMRSA-N 1 0 311.429 3.002 20 10 DGCDRO O=c1cc(-c2ccc3c[nH+]cn3c2)ccn1Cc1ccccc1F ZINC001245896813 1104294939 /nfs/dbraw/zinc/29/49/39/1104294939.db2.gz HFQVZUFFKSWHHX-UHFFFAOYSA-N 1 0 319.339 3.350 20 10 DGCDRO CC(C)(C)OCC[NH2+]Cc1ccc(Br)cc1O ZINC000691396661 1104328051 /nfs/dbraw/zinc/32/80/51/1104328051.db2.gz UZPUJNUOYQHPCZ-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001275276583 1104700486 /nfs/dbraw/zinc/70/04/86/1104700486.db2.gz LIAIESOJLXGIJO-SUMWQHHRSA-N 1 0 320.864 3.494 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001275275918 1104700558 /nfs/dbraw/zinc/70/05/58/1104700558.db2.gz BVAYAVZKCTUZJJ-UHFFFAOYSA-N 1 0 306.837 3.106 20 10 DGCDRO Cc1ccc(O)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c1 ZINC001275311853 1104718152 /nfs/dbraw/zinc/71/81/52/1104718152.db2.gz QZBUCRIDVNARTI-ROUUACIJSA-N 1 0 300.446 3.292 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001275773374 1104902425 /nfs/dbraw/zinc/90/24/25/1104902425.db2.gz ILNPRGPKTKRHBW-YVEFUNNKSA-N 1 0 322.399 3.119 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)cc1 ZINC001275834152 1104927293 /nfs/dbraw/zinc/92/72/93/1104927293.db2.gz YEKQYDKDDWGPKQ-PMACEKPBSA-N 1 0 313.489 3.344 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)cc1 ZINC001247976346 1105027221 /nfs/dbraw/zinc/02/72/21/1105027221.db2.gz NITGSQBLEYJTSN-INIZCTEOSA-N 1 0 322.412 3.439 20 10 DGCDRO CC[N@H+](Cc1ccccc1)Cc1ccc(CC(=O)OC)cc1O ZINC001249171713 1105239077 /nfs/dbraw/zinc/23/90/77/1105239077.db2.gz DVIQMLZFNLQRSM-UHFFFAOYSA-N 1 0 313.397 3.130 20 10 DGCDRO C[NH+](C)C1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249223642 1105249463 /nfs/dbraw/zinc/24/94/63/1105249463.db2.gz KTMVZOQBIQOCBP-UHFFFAOYSA-N 1 0 316.445 3.102 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@@H](CO)CC3)ccc2O1 ZINC001249223582 1105249858 /nfs/dbraw/zinc/24/98/58/1105249858.db2.gz ICRISBUOMSYUNJ-CQSZACIVSA-N 1 0 317.429 3.171 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CC4(C3)CCCOC4)ccc2O1 ZINC001249230750 1105252401 /nfs/dbraw/zinc/25/24/01/1105252401.db2.gz SOIVQONUVJNHGW-UHFFFAOYSA-N 1 0 315.413 3.189 20 10 DGCDRO CC(=O)C1CC[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249252247 1105256353 /nfs/dbraw/zinc/25/63/53/1105256353.db2.gz JNCQRVIUMLNOIS-UHFFFAOYSA-N 1 0 315.413 3.377 20 10 DGCDRO CO[C@H](C)C1C[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249258621 1105258538 /nfs/dbraw/zinc/25/85/38/1105258538.db2.gz KXDUCAJCCROGIL-GFCCVEGCSA-N 1 0 303.402 3.043 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CC4(CSC4)C3)ccc2O1 ZINC001249258591 1105258594 /nfs/dbraw/zinc/25/85/94/1105258594.db2.gz KMKPRCUUBVABRD-UHFFFAOYSA-N 1 0 303.427 3.125 20 10 DGCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H]2C)c(O)c1 ZINC001249726975 1105366469 /nfs/dbraw/zinc/36/64/69/1105366469.db2.gz XHWSEMGHHHVFBI-CQSZACIVSA-N 1 0 321.417 3.099 20 10 DGCDRO Oc1cc2ccccc2cc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC001251247811 1105643890 /nfs/dbraw/zinc/64/38/90/1105643890.db2.gz QKSMXQJOSRSNON-SFHVURJKSA-N 1 0 323.392 3.075 20 10 DGCDRO Oc1ccccc1C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC001252394361 1105776011 /nfs/dbraw/zinc/77/60/11/1105776011.db2.gz NQWCNBHYFRJONR-KRWDZBQOSA-N 1 0 323.392 3.075 20 10 DGCDRO CCCC[C@@H](CC)COC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC001253010740 1105876373 /nfs/dbraw/zinc/87/63/73/1105876373.db2.gz WIPLQZIMOKSQEX-SJLPKXTDSA-N 1 0 323.477 3.418 20 10 DGCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)c(F)c1 ZINC001253358716 1105927795 /nfs/dbraw/zinc/92/77/95/1105927795.db2.gz RPDJRLJEWLCMRO-KRWDZBQOSA-N 1 0 307.340 3.226 20 10 DGCDRO CCCCC[C@@H](O)C[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001253542966 1105955401 /nfs/dbraw/zinc/95/54/01/1105955401.db2.gz VKHLWGYBAHAFJD-GOSISDBHSA-N 1 0 320.477 3.149 20 10 DGCDRO CCCC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001255334455 1106225293 /nfs/dbraw/zinc/22/52/93/1106225293.db2.gz RJCPDYCIHFAZRS-HNNXBMFYSA-N 1 0 306.450 3.405 20 10 DGCDRO C[N@@H+]1CCC[C@@H](Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256960901 1106516020 /nfs/dbraw/zinc/51/60/20/1106516020.db2.gz GPVQGQDCUFCEPE-HNNXBMFYSA-N 1 0 322.412 3.412 20 10 DGCDRO CCOC(=O)CC1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC001258024354 1106660865 /nfs/dbraw/zinc/66/08/65/1106660865.db2.gz AKQBHUPODBNMBP-UHFFFAOYSA-N 1 0 318.461 3.354 20 10 DGCDRO CC(C)c1noc(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC001320253432 1106938255 /nfs/dbraw/zinc/93/82/55/1106938255.db2.gz WAJYLXOYYAKOMV-CMPLNLGQSA-N 1 0 319.380 3.418 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC001320411751 1106999211 /nfs/dbraw/zinc/99/92/11/1106999211.db2.gz SZMYEUKPIFDJQU-VRKREXBASA-N 1 0 300.446 3.321 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001320498169 1107029240 /nfs/dbraw/zinc/02/92/40/1107029240.db2.gz TVOIUBWNXOLSSW-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC001321079051 1107243041 /nfs/dbraw/zinc/24/30/41/1107243041.db2.gz BZYMYSPFAKNYFW-HXUWFJFHSA-N 1 0 309.409 3.406 20 10 DGCDRO NC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC001261370939 1107420752 /nfs/dbraw/zinc/42/07/52/1107420752.db2.gz ZFIVEHNTPPNZCB-LJQANCHMSA-N 1 0 301.478 3.284 20 10 DGCDRO COC1([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)CCOCC1 ZINC001261677105 1107504298 /nfs/dbraw/zinc/50/42/98/1107504298.db2.gz GBVLXSVLJMVUBJ-GFCCVEGCSA-N 1 0 313.825 3.028 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1ccc(C)cc1O ZINC001322454774 1107678307 /nfs/dbraw/zinc/67/83/07/1107678307.db2.gz FKJGBCQFCXLRLC-AEFFLSMTSA-N 1 0 321.461 3.167 20 10 DGCDRO O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001323786851 1108082120 /nfs/dbraw/zinc/08/21/20/1108082120.db2.gz ZSCAEXFDLRYYAD-NRFANRHFSA-N 1 0 324.468 3.370 20 10 DGCDRO CCNC(=O)C(C)(C)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001323829801 1108099225 /nfs/dbraw/zinc/09/92/25/1108099225.db2.gz MXEHTCTUKBVMCP-OLZOCXBDSA-N 1 0 304.434 3.001 20 10 DGCDRO C[C@H]1CCN(Cc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000382664935 1108159581 /nfs/dbraw/zinc/15/95/81/1108159581.db2.gz LNFLCYNSIPQIFT-KRWDZBQOSA-N 1 0 309.457 3.365 20 10 DGCDRO Cn1cc([C@@H]([NH2+][C@H]2CCc3cccc(O)c32)c2ccccc2)cn1 ZINC001324601143 1108367807 /nfs/dbraw/zinc/36/78/07/1108367807.db2.gz HNFRJEYMBKUWKY-PXNSSMCTSA-N 1 0 319.408 3.492 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@H]3CCO[C@H](C)C3)CC2)cc1 ZINC001324795091 1108467040 /nfs/dbraw/zinc/46/70/40/1108467040.db2.gz GJMKPDDKCJNHOE-SJORKVTESA-N 1 0 318.461 3.022 20 10 DGCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001324916587 1108509975 /nfs/dbraw/zinc/50/99/75/1108509975.db2.gz WSUKORYZLVOFTG-LPHOPBHVSA-N 1 0 302.462 3.412 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC001325022431 1108559247 /nfs/dbraw/zinc/55/92/47/1108559247.db2.gz FDWVVIRQJVSIFL-VQTJNVASSA-N 1 0 312.457 3.430 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC001325022424 1108559973 /nfs/dbraw/zinc/55/99/73/1108559973.db2.gz FDWVVIRQJVSIFL-PMACEKPBSA-N 1 0 312.457 3.430 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001319705207 1108600786 /nfs/dbraw/zinc/60/07/86/1108600786.db2.gz GOJOLVMCFUEADB-MRXNPFEDSA-N 1 0 319.468 3.200 20 10 DGCDRO c1ccc2c(c1)C[NH2+]CCN2Cc1ccc(N2CCCC2)cc1 ZINC001325318322 1108620651 /nfs/dbraw/zinc/62/06/51/1108620651.db2.gz DTWYFSYDBOBFJD-UHFFFAOYSA-N 1 0 307.441 3.397 20 10 DGCDRO CCC1(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001265810762 1109010359 /nfs/dbraw/zinc/01/03/59/1109010359.db2.gz FRPZCAFKNJKNGU-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CC2(C)C)cc1C ZINC001266138056 1109105234 /nfs/dbraw/zinc/10/52/34/1109105234.db2.gz WJCTYPVFNMOLTP-GDBMZVCRSA-N 1 0 318.461 3.034 20 10 DGCDRO CCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001283946798 1109704278 /nfs/dbraw/zinc/70/42/78/1109704278.db2.gz PYNYYPWINAXVAZ-NVXWUHKLSA-N 1 0 318.461 3.273 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2scnc2C)c1 ZINC001307628070 1111321234 /nfs/dbraw/zinc/32/12/34/1111321234.db2.gz FZHDGBQBNWZCHS-NSHDSACASA-N 1 0 306.431 3.449 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc(F)cc1F ZINC001308010534 1111365753 /nfs/dbraw/zinc/36/57/53/1111365753.db2.gz QVWBZTPJYPNPIB-GHMZBOCLSA-N 1 0 320.339 3.348 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC001308145958 1111383779 /nfs/dbraw/zinc/38/37/79/1111383779.db2.gz RXTKQKOSMZJYAF-MSOLQXFVSA-N 1 0 302.462 3.391 20 10 DGCDRO Cc1cc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)ccc1N(C)C ZINC001308148722 1111383828 /nfs/dbraw/zinc/38/38/28/1111383828.db2.gz SQDNULRPMJQBFM-TZIWHRDSSA-N 1 0 324.468 3.096 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCN(C)c2ccccc2)cc1 ZINC001308194878 1111395145 /nfs/dbraw/zinc/39/51/45/1111395145.db2.gz NIHBLXYNCNHKMC-BQYQJAHWSA-N 1 0 309.457 3.492 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCN(C)c2ccccc2)cc1 ZINC001308194879 1111395363 /nfs/dbraw/zinc/39/53/63/1111395363.db2.gz NIHBLXYNCNHKMC-FPLPWBNLSA-N 1 0 309.457 3.492 20 10 DGCDRO Cc1cccn2c(C[NH2+]Cc3ccc4c(c3)CCCN4C)cnc12 ZINC001308229716 1111401398 /nfs/dbraw/zinc/40/13/98/1111401398.db2.gz JUDCXCKVTBTMNC-UHFFFAOYSA-N 1 0 320.440 3.315 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]CC2(C)OCCO2)cc1 ZINC001308333137 1111417631 /nfs/dbraw/zinc/41/76/31/1111417631.db2.gz BNUSYIWHEBBEHQ-UHFFFAOYSA-N 1 0 306.450 3.166 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)Cc2ccccc2C)c(Cl)c1 ZINC001308375254 1111423011 /nfs/dbraw/zinc/42/30/11/1111423011.db2.gz ZINXEKQKGGGYFY-HNNXBMFYSA-N 1 0 319.832 3.356 20 10 DGCDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001308419458 1111427298 /nfs/dbraw/zinc/42/72/98/1111427298.db2.gz UUCOWFXNPQHNTP-SFHVURJKSA-N 1 0 303.446 3.290 20 10 DGCDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccncc1)c1ccccc1O ZINC001308507011 1111436442 /nfs/dbraw/zinc/43/64/42/1111436442.db2.gz WZQZTVSNTIIWLE-CYBMUJFWSA-N 1 0 308.385 3.039 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1[N+](=O)[O-] ZINC001308534520 1111439635 /nfs/dbraw/zinc/43/96/35/1111439635.db2.gz BKTAPGOZTHMZBJ-CYBMUJFWSA-N 1 0 312.369 3.423 20 10 DGCDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308547650 1111440794 /nfs/dbraw/zinc/44/07/94/1111440794.db2.gz BYXDQZLCHVVACS-CRAIPNDOSA-N 1 0 317.452 3.022 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@@H]2CC=CCC2)N(C)C)cc1 ZINC001308543515 1111440897 /nfs/dbraw/zinc/44/08/97/1111440897.db2.gz IFPDGLMRDACFSV-VQIMIIECSA-N 1 0 301.478 3.301 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC001308562125 1111444798 /nfs/dbraw/zinc/44/47/98/1111444798.db2.gz VXQFSJKEJBQQNM-DZGCQCFKSA-N 1 0 317.351 3.403 20 10 DGCDRO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H](C)S1 ZINC001308589819 1111448228 /nfs/dbraw/zinc/44/82/28/1111448228.db2.gz KULCRZKYQKUJAU-AOOOYVTPSA-N 1 0 316.264 3.481 20 10 DGCDRO COC(=O)C1(C[NH2+]Cc2ccc(Cl)cc2O)CCCCC1 ZINC001308682747 1111460360 /nfs/dbraw/zinc/46/03/60/1111460360.db2.gz CSVHRYIXNKDCMN-UHFFFAOYSA-N 1 0 311.809 3.259 20 10 DGCDRO COC(=O)[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)CC(C)C ZINC001308793776 1111475674 /nfs/dbraw/zinc/47/56/74/1111475674.db2.gz HBEOOBHQYXZDSD-TUYSUELWSA-N 1 0 318.461 3.191 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCOc3cc(F)ccc3C2)c1O ZINC001308885582 1111489074 /nfs/dbraw/zinc/48/90/74/1111489074.db2.gz IBJYWNGGJAGKNQ-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCC23CCC3)N(C)C)cc1 ZINC001308973077 1111502183 /nfs/dbraw/zinc/50/21/83/1111502183.db2.gz UMZZGSJUFWOENY-QZTJIDSGSA-N 1 0 301.478 3.278 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]Cc1ccccc1OC(F)F)OCO2 ZINC000063255921 432005292 /nfs/dbraw/zinc/00/52/92/432005292.db2.gz KOBOOFZYKWXCAI-UHFFFAOYSA-N 1 0 323.295 3.012 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1ccc(N(C)C)cc1 ZINC000370670815 529672987 /nfs/dbraw/zinc/67/29/87/529672987.db2.gz HRHMBYIJZCFJKX-HKUYNNGSSA-N 1 0 324.472 3.449 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCSC1 ZINC000165244108 432055016 /nfs/dbraw/zinc/05/50/16/432055016.db2.gz HOFWGDUXBKZYHO-LLVKDONJSA-N 1 0 302.237 3.140 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000179709016 432068443 /nfs/dbraw/zinc/06/84/43/432068443.db2.gz CZJDOENDNIJEEM-QGZVFWFLSA-N 1 0 300.402 3.467 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)CN(C)C)c1cc(Br)ccc1O ZINC000168599021 432069766 /nfs/dbraw/zinc/06/97/66/432069766.db2.gz XVRCAPRAPQONBH-GXFFZTMASA-N 1 0 315.255 3.146 20 10 DGCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000282317588 299285210 /nfs/dbraw/zinc/28/52/10/299285210.db2.gz NJCQEUYCYHJJKO-OYHNWAKOSA-N 1 0 320.502 3.239 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cc1C ZINC000189877342 432099479 /nfs/dbraw/zinc/09/94/79/432099479.db2.gz YRTRWTAWARQJBR-INIZCTEOSA-N 1 0 317.458 3.033 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(OC)c(O)c2)c(O)c1 ZINC000171134419 432105433 /nfs/dbraw/zinc/10/54/33/432105433.db2.gz HLEIPPJXZYSDEF-UHFFFAOYSA-N 1 0 317.385 3.185 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2cc(Cl)cn2C)c1O ZINC000091930825 193128340 /nfs/dbraw/zinc/12/83/40/193128340.db2.gz YIYYFDIALICYRC-UHFFFAOYSA-N 1 0 308.809 3.415 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC3(CCCC3=O)CC2)cc1 ZINC000852631450 620635811 /nfs/dbraw/zinc/63/58/11/620635811.db2.gz SIMLHBBXLBYBTA-UHFFFAOYSA-N 1 0 300.446 3.478 20 10 DGCDRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093316106 193229646 /nfs/dbraw/zinc/22/96/46/193229646.db2.gz QAWQOKFMHSYJGM-NSHDSACASA-N 1 0 301.342 3.020 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000268767384 432128669 /nfs/dbraw/zinc/12/86/69/432128669.db2.gz CLSCURWQLZSVMA-ACJLOTCBSA-N 1 0 302.393 3.276 20 10 DGCDRO Cc1cc(O)c(CN2CCn3c(C(C)C)nnc3[C@H]2C)cc1C ZINC000190227150 432133508 /nfs/dbraw/zinc/13/35/08/432133508.db2.gz QRZAZSGGHHBTAP-CQSZACIVSA-N 1 0 314.433 3.301 20 10 DGCDRO Cc1cc(O)c(CN2CCn3c(C(C)C)nnc3[C@@H]2C)cc1C ZINC000190227132 432133931 /nfs/dbraw/zinc/13/39/31/432133931.db2.gz QRZAZSGGHHBTAP-AWEZNQCLSA-N 1 0 314.433 3.301 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000268864339 432143703 /nfs/dbraw/zinc/14/37/03/432143703.db2.gz SZEMEHCQXDLYGB-WFASDCNBSA-N 1 0 316.367 3.251 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)C ZINC000268872206 432146258 /nfs/dbraw/zinc/14/62/58/432146258.db2.gz VPOYDWYNIBVJRX-OAHLLOKOSA-N 1 0 304.478 3.420 20 10 DGCDRO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000189989436 285263661 /nfs/dbraw/zinc/26/36/61/285263661.db2.gz AZHJXBQJOWWIFO-HKUYNNGSSA-N 1 0 302.462 3.318 20 10 DGCDRO C[C@@H]([NH2+]CC1CCOCC1)c1cc(Br)ccc1O ZINC000185260920 533367074 /nfs/dbraw/zinc/36/70/74/533367074.db2.gz JVKLZENQUNCNED-SNVBAGLBSA-N 1 0 314.223 3.232 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c(O)c1C ZINC000273298332 130104812 /nfs/dbraw/zinc/10/48/12/130104812.db2.gz APQAZJLOEKFZLY-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Br)cc1O ZINC000273429336 130120093 /nfs/dbraw/zinc/12/00/93/130120093.db2.gz VFVOQBJKTAEHBN-ZYHUDNBSSA-N 1 0 314.223 3.374 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)c(O)c1C ZINC000273427577 130120769 /nfs/dbraw/zinc/12/07/69/130120769.db2.gz URQHDYILTRSKPZ-OAHLLOKOSA-N 1 0 304.434 3.062 20 10 DGCDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000273443714 130121793 /nfs/dbraw/zinc/12/17/93/130121793.db2.gz ZFFRFKNXGCBZKG-OAHLLOKOSA-N 1 0 312.413 3.090 20 10 DGCDRO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1=O ZINC000273449187 130124313 /nfs/dbraw/zinc/12/43/13/130124313.db2.gz FOSOMCYAKPMEMF-ZFWWWQNUSA-N 1 0 312.413 3.205 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c(O)c1 ZINC000273481198 130126710 /nfs/dbraw/zinc/12/67/10/130126710.db2.gz MBKJQBDLDFIWMX-YJBOKZPZSA-N 1 0 324.424 3.152 20 10 DGCDRO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000273542174 130133451 /nfs/dbraw/zinc/13/34/51/130133451.db2.gz YPKKJHVBSZNZBR-NWDGAFQWSA-N 1 0 314.433 3.363 20 10 DGCDRO CC(=O)NC1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000273559488 130136827 /nfs/dbraw/zinc/13/68/27/130136827.db2.gz HSZGGISXMQGAHL-GWMXKSKGSA-N 1 0 310.825 3.144 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604895 130142854 /nfs/dbraw/zinc/14/28/54/130142854.db2.gz SZXDLRBZOVLKPJ-KBPBESRZSA-N 1 0 321.421 3.071 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c(O)c1 ZINC000273623208 130146701 /nfs/dbraw/zinc/14/67/01/130146701.db2.gz ZTFPZLUJNZDSAA-AWEZNQCLSA-N 1 0 304.434 3.142 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1O ZINC000273703682 130156636 /nfs/dbraw/zinc/15/66/36/130156636.db2.gz DYSQKDMQERFQCJ-JKSUJKDBSA-N 1 0 311.809 3.101 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)[C@]12CCCO2 ZINC000274120553 130208096 /nfs/dbraw/zinc/20/80/96/130208096.db2.gz AJZJCTXAVKGPIK-NOCIGQNYSA-N 1 0 319.445 3.386 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)c(O)c1C ZINC000274375214 130229646 /nfs/dbraw/zinc/22/96/46/130229646.db2.gz LPVCIXYGBFHTNH-CYBMUJFWSA-N 1 0 317.458 3.205 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccccc1O ZINC000274984513 130280430 /nfs/dbraw/zinc/28/04/30/130280430.db2.gz ZSLBBEXZTHPNQX-YCPHGPKFSA-N 1 0 304.434 3.080 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCOC2)c1O ZINC000275272371 130301618 /nfs/dbraw/zinc/30/16/18/130301618.db2.gz CFYLEILCWKQULO-MNOVXSKESA-N 1 0 314.223 3.150 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000284113305 131050223 /nfs/dbraw/zinc/05/02/23/131050223.db2.gz NLTAPMWYVQCQRN-RDTXWAMCSA-N 1 0 315.413 3.402 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284162455 131055142 /nfs/dbraw/zinc/05/51/42/131055142.db2.gz PVMDTZDBAOEMAA-KBXCAEBGSA-N 1 0 315.413 3.402 20 10 DGCDRO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284242692 131063592 /nfs/dbraw/zinc/06/35/92/131063592.db2.gz VEODBZRULFBINQ-AWEZNQCLSA-N 1 0 312.413 3.219 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1O ZINC000284720718 131106451 /nfs/dbraw/zinc/10/64/51/131106451.db2.gz UWBNJIBPGNEIKD-DOTOQJQBSA-N 1 0 318.804 3.369 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)c(O)c1 ZINC000285089273 131137098 /nfs/dbraw/zinc/13/70/98/131137098.db2.gz JXJXFSPEEUAAFU-CYBMUJFWSA-N 1 0 302.422 3.206 20 10 DGCDRO C[C@H]([NH2+]CC1=CCCOC1)c1ccc(Br)cc1O ZINC000286970081 131258264 /nfs/dbraw/zinc/25/82/64/131258264.db2.gz ILXFDUXNMIEPIF-JTQLQIEISA-N 1 0 312.207 3.152 20 10 DGCDRO COCCC[N@H+](Cc1ccncc1)Cc1cc(C)ccc1O ZINC000289453897 131387130 /nfs/dbraw/zinc/38/71/30/131387130.db2.gz NLSBHRBLVRVBCT-UHFFFAOYSA-N 1 0 300.402 3.134 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc2c(c1)CCC(=O)N2 ZINC000289488369 131390589 /nfs/dbraw/zinc/39/05/89/131390589.db2.gz RHLNZBIHERFCRL-LLVKDONJSA-N 1 0 314.360 3.267 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc([S@](C)=O)cc1 ZINC000296687918 131981510 /nfs/dbraw/zinc/98/15/10/131981510.db2.gz HABPPUIKYWXPSW-IEBOFQNGSA-N 1 0 315.438 3.468 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000296781883 131986147 /nfs/dbraw/zinc/98/61/47/131986147.db2.gz LVVURSAKDYQCHH-GOEBONIOSA-N 1 0 304.434 3.038 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccn(-c3ccccc3)n1)CC2 ZINC000297570771 132023597 /nfs/dbraw/zinc/02/35/97/132023597.db2.gz GPCWUIJYSOXZGA-SFHVURJKSA-N 1 0 319.408 3.398 20 10 DGCDRO O=C(NCc1ccccc1O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000299581623 132112094 /nfs/dbraw/zinc/11/20/94/132112094.db2.gz REINPPISRVSLHK-UHFFFAOYSA-N 1 0 324.424 3.308 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000093865935 400258507 /nfs/dbraw/zinc/25/85/07/400258507.db2.gz VNHMHHVJBQAFQB-OAHLLOKOSA-N 1 0 304.777 3.094 20 10 DGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cc[nH]c3)cc2F)C[C@H](C)O1 ZINC000086251274 401176562 /nfs/dbraw/zinc/17/65/62/401176562.db2.gz XCNGSGVAIVFWEP-OKILXGFUSA-N 1 0 317.408 3.057 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCOc3ccc(OC)cc32)c1 ZINC000089726510 401237275 /nfs/dbraw/zinc/23/72/75/401237275.db2.gz XAFRYVYPGKLKQR-INIZCTEOSA-N 1 0 315.369 3.023 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1OC ZINC000289972921 286238851 /nfs/dbraw/zinc/23/88/51/286238851.db2.gz ZFXMYTSVEYKUFT-OAHLLOKOSA-N 1 0 314.385 3.142 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)CCCCCC[NH3+])cc1 ZINC000269235327 432155859 /nfs/dbraw/zinc/15/58/59/432155859.db2.gz GFTXPHLZEUILGH-UHFFFAOYSA-N 1 0 305.466 3.058 20 10 DGCDRO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(N(C)C)cc1 ZINC000151154880 432224606 /nfs/dbraw/zinc/22/46/06/432224606.db2.gz SJKYLGUFWHXXIS-GOSISDBHSA-N 1 0 300.450 3.344 20 10 DGCDRO Cc1cc(C(=O)NCC[C@H](C)[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000178612336 228344077 /nfs/dbraw/zinc/34/40/77/228344077.db2.gz SKWUGQOYRZRMKX-NSHDSACASA-N 1 0 319.836 3.215 20 10 DGCDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000183433354 228374097 /nfs/dbraw/zinc/37/40/97/228374097.db2.gz AMLSAXMKJYXMCG-ZDUSSCGKSA-N 1 0 308.385 3.132 20 10 DGCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1C ZINC000270303604 432231061 /nfs/dbraw/zinc/23/10/61/432231061.db2.gz SNECFYNGSTVSHF-SFHVURJKSA-N 1 0 303.377 3.140 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151389746 432242617 /nfs/dbraw/zinc/24/26/17/432242617.db2.gz CTQOBBZTVCKXQU-XHDPSFHLSA-N 1 0 313.850 3.190 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000191284865 432245921 /nfs/dbraw/zinc/24/59/21/432245921.db2.gz FSPSXZOLZDEFBR-UHFFFAOYSA-N 1 0 309.772 3.218 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151423179 432245515 /nfs/dbraw/zinc/24/55/15/432245515.db2.gz QCQWZRCUAGRHDU-HIFRSBDPSA-N 1 0 313.850 3.190 20 10 DGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCO2 ZINC000274291842 274133160 /nfs/dbraw/zinc/13/31/60/274133160.db2.gz ZCVVZCFDYDBPKF-KRWDZBQOSA-N 1 0 311.381 3.244 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1 ZINC000289853024 274754842 /nfs/dbraw/zinc/75/48/42/274754842.db2.gz PTTSDQHRWBJSNS-QGZVFWFLSA-N 1 0 303.427 3.340 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1F ZINC000071004390 431269003 /nfs/dbraw/zinc/26/90/03/431269003.db2.gz VVYQEQWMKABWKA-UHFFFAOYSA-N 1 0 314.404 3.294 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](CCO)c2ccccc2)cc1F ZINC000077468290 431596742 /nfs/dbraw/zinc/59/67/42/431596742.db2.gz MDKCFVOYEHLRFW-QGZVFWFLSA-N 1 0 302.393 3.105 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)cc1 ZINC000079694986 431739399 /nfs/dbraw/zinc/73/93/99/431739399.db2.gz OFLFRXQFHSTOIS-UHFFFAOYSA-N 1 0 312.413 3.204 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1ccccc1O ZINC000121091469 431742736 /nfs/dbraw/zinc/74/27/36/431742736.db2.gz GVVDJHLHXZTNDB-AEFFLSMTSA-N 1 0 301.386 3.175 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000126048692 431941364 /nfs/dbraw/zinc/94/13/64/431941364.db2.gz CTJBMMQCDTVMKY-LLVKDONJSA-N 1 0 302.330 3.160 20 10 DGCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000126421755 431949576 /nfs/dbraw/zinc/94/95/76/431949576.db2.gz WYLVGWGBEKYZQY-INIZCTEOSA-N 1 0 321.804 3.220 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297867030 281358868 /nfs/dbraw/zinc/35/88/68/281358868.db2.gz ULOIXQVABVBJRO-ZLOLFTAESA-N 1 0 307.459 3.049 20 10 DGCDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3ccccc3O)cn2)n1 ZINC000183428408 432293476 /nfs/dbraw/zinc/29/34/76/432293476.db2.gz XDLSSNLODFCFQD-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccccc1O ZINC000183434910 432293518 /nfs/dbraw/zinc/29/35/18/432293518.db2.gz XUAJOMBCYFAFTG-HNNXBMFYSA-N 1 0 324.424 3.365 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1O ZINC000183455472 432294085 /nfs/dbraw/zinc/29/40/85/432294085.db2.gz GTCRHFJINJXJFT-OAHLLOKOSA-N 1 0 324.424 3.348 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)OC)CC2)cc1 ZINC000152980245 432374016 /nfs/dbraw/zinc/37/40/16/432374016.db2.gz WHKHQXBWMRLYPD-CQSZACIVSA-N 1 0 319.449 3.024 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000271440199 432396347 /nfs/dbraw/zinc/39/63/47/432396347.db2.gz RRJKIRJDOURHAF-ZFWWWQNUSA-N 1 0 320.433 3.127 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)cc1OC ZINC000272010176 432433741 /nfs/dbraw/zinc/43/37/41/432433741.db2.gz CIOSQJVRUCNABB-LSDHHAIUSA-N 1 0 323.433 3.093 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccccn1)c1ccc(Br)cc1O ZINC000184839432 432438589 /nfs/dbraw/zinc/43/85/89/432438589.db2.gz ONYGOPXPSQWXRD-LLVKDONJSA-N 1 0 321.218 3.443 20 10 DGCDRO C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000184902970 432444562 /nfs/dbraw/zinc/44/45/62/432444562.db2.gz LASNIHWESYXENH-GXTWGEPZSA-N 1 0 313.825 3.282 20 10 DGCDRO C[C@H](c1ccsc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000184971047 432451548 /nfs/dbraw/zinc/45/15/48/432451548.db2.gz IAQGPICBZUJOHA-CQSZACIVSA-N 1 0 302.443 3.333 20 10 DGCDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000271534986 432416686 /nfs/dbraw/zinc/41/66/86/432416686.db2.gz SLKVFRGTBFXOKU-ZMPRRUGASA-N 1 0 322.518 3.485 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1O ZINC000184678793 432419698 /nfs/dbraw/zinc/41/96/98/432419698.db2.gz GHPKQMKDSUILKR-LLVKDONJSA-N 1 0 311.809 3.055 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193505568 432478074 /nfs/dbraw/zinc/47/80/74/432478074.db2.gz ABMCZOKPAXVSJV-CHWSQXEVSA-N 1 0 316.367 3.235 20 10 DGCDRO CCOc1cccc(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)OC)c1O ZINC000272370590 432488858 /nfs/dbraw/zinc/48/88/58/432488858.db2.gz BNWFXNZRIGWSIQ-KBXCAEBGSA-N 1 0 321.417 3.002 20 10 DGCDRO CCCNC(=O)C1([NH2+]Cc2cccc(C)c2O)CCCCC1 ZINC000154524558 432503822 /nfs/dbraw/zinc/50/38/22/432503822.db2.gz XKKCHAHCOOBPDM-UHFFFAOYSA-N 1 0 304.434 3.019 20 10 DGCDRO C[C@@H]([NH2+]Cc1nccs1)c1cc(Br)ccc1O ZINC000185087451 432465431 /nfs/dbraw/zinc/46/54/31/432465431.db2.gz PVELOZIECHELDC-MRVPVSSYSA-N 1 0 313.220 3.462 20 10 DGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186068121 432555496 /nfs/dbraw/zinc/55/54/96/432555496.db2.gz GHFIILFFWYABGT-CQSZACIVSA-N 1 0 316.401 3.073 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)CCO)c1cc(Br)ccc1O ZINC000185608480 432514614 /nfs/dbraw/zinc/51/46/14/432514614.db2.gz TVKHUVLDERSZQN-JTQLQIEISA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc(Cl)ccc1O ZINC000185652092 432520621 /nfs/dbraw/zinc/52/06/21/432520621.db2.gz PDDITKPBNFWYSS-TZMCWYRMSA-N 1 0 305.805 3.472 20 10 DGCDRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccccc1O ZINC000186335203 432583564 /nfs/dbraw/zinc/58/35/64/432583564.db2.gz GAUJTYLKILQYHW-ICXUMSERSA-N 1 0 312.413 3.268 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000273467162 432602061 /nfs/dbraw/zinc/60/20/61/432602061.db2.gz FAHJTUXWGVGPBL-CXAGYDPISA-N 1 0 301.386 3.175 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000273463313 432602994 /nfs/dbraw/zinc/60/29/94/432602994.db2.gz INCQBXMISURDSZ-CKYFFXLPSA-N 1 0 314.223 3.373 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]C1CCSCC1 ZINC000222076661 432669895 /nfs/dbraw/zinc/66/98/95/432669895.db2.gz JCMYJTLLYPYSKM-UHFFFAOYSA-N 1 0 302.237 3.140 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000219453113 432664055 /nfs/dbraw/zinc/66/40/55/432664055.db2.gz VGUDSNVLLNDVRW-ZFWWWQNUSA-N 1 0 320.433 3.270 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)N(C)C ZINC000189000274 432756560 /nfs/dbraw/zinc/75/65/60/432756560.db2.gz BDENFTURTNEEPZ-HOTGVXAUSA-N 1 0 317.477 3.194 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1O ZINC000276013977 432766616 /nfs/dbraw/zinc/76/66/16/432766616.db2.gz QFNUTGVLLAYGKT-GOSISDBHSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCc2csc(C)n2)c1O ZINC000230934040 432730272 /nfs/dbraw/zinc/73/02/72/432730272.db2.gz CVRTUZXCCNYPBN-UHFFFAOYSA-N 1 0 312.822 3.151 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccc3c(n2)CCCC3)c1O ZINC000277637312 432865822 /nfs/dbraw/zinc/86/58/22/432865822.db2.gz CZRILMPCFRGKOS-UHFFFAOYSA-N 1 0 312.413 3.355 20 10 DGCDRO C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CC[S@]1=O ZINC000277779339 432875630 /nfs/dbraw/zinc/87/56/30/432875630.db2.gz WOEOSHZJRSNSEW-OPAMFIHVSA-N 1 0 320.502 3.020 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)CC2 ZINC000296247281 432888657 /nfs/dbraw/zinc/88/86/57/432888657.db2.gz BCEYGGXIDIWEES-ZBFHGGJFSA-N 1 0 321.779 3.495 20 10 DGCDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000296560269 432922273 /nfs/dbraw/zinc/92/22/73/432922273.db2.gz SFDGIULWMJIURP-QWRGUYRKSA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000296631607 432924423 /nfs/dbraw/zinc/92/44/23/432924423.db2.gz BKGKROMZOPLFJZ-GHMZBOCLSA-N 1 0 316.239 3.214 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@]3(CCSC3)C1)CC2 ZINC000297028266 432950428 /nfs/dbraw/zinc/95/04/28/432950428.db2.gz UQHWBLGCCOCYDT-CKEIUWERSA-N 1 0 305.443 3.024 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(N(C)C)cc1 ZINC000278913160 432916598 /nfs/dbraw/zinc/91/65/98/432916598.db2.gz GZYALINIOSFROP-QAPCUYQASA-N 1 0 312.461 3.252 20 10 DGCDRO COCC[N@H+](Cc1ccccn1)Cc1cc(C)c(C)cc1O ZINC000289668548 432971521 /nfs/dbraw/zinc/97/15/21/432971521.db2.gz DGTFTPRORICTBJ-UHFFFAOYSA-N 1 0 300.402 3.053 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000279687311 432990293 /nfs/dbraw/zinc/99/02/93/432990293.db2.gz ANTJLRKOXZHSIT-KGLIPLIRSA-N 1 0 324.465 3.066 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)cc1OC ZINC000290185639 433008350 /nfs/dbraw/zinc/00/83/50/433008350.db2.gz ODYIWZRXDVANIR-ADLMAVQZSA-N 1 0 315.369 3.021 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccc(C)cc2O)[C@]12CCCO2 ZINC000280218774 433016567 /nfs/dbraw/zinc/01/65/67/433016567.db2.gz UNXYJVGNBBHVAU-QXCFHYIPSA-N 1 0 319.445 3.468 20 10 DGCDRO CC[C@@H]([NH2+]C1CCC(C(=O)NC)CC1)c1ccc(C)cc1O ZINC000280258236 433023837 /nfs/dbraw/zinc/02/38/37/433023837.db2.gz XBZUWEGJJWXICM-ZBCRRDGASA-N 1 0 304.434 3.046 20 10 DGCDRO CN(C)C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000297470457 289189821 /nfs/dbraw/zinc/18/98/21/289189821.db2.gz YPFINBHKLJVGAA-DLBZAZTESA-N 1 0 314.404 3.411 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000290826750 433181281 /nfs/dbraw/zinc/18/12/81/433181281.db2.gz HERMFQUSRCMAAU-QZTJIDSGSA-N 1 0 317.429 3.324 20 10 DGCDRO COCCOCc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000291022093 433214300 /nfs/dbraw/zinc/21/43/00/433214300.db2.gz GXVIMFRYFIYPMK-UHFFFAOYSA-N 1 0 315.413 3.153 20 10 DGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000291016597 433217159 /nfs/dbraw/zinc/21/71/59/433217159.db2.gz FZBVEFIDNBPNFC-AWEZNQCLSA-N 1 0 300.377 3.147 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1OCCc2sccc21 ZINC000291680336 433309312 /nfs/dbraw/zinc/30/93/12/433309312.db2.gz HPGZDZUANTUJAV-XIKOKIGWSA-N 1 0 315.438 3.475 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000375298048 433419153 /nfs/dbraw/zinc/41/91/53/433419153.db2.gz QQLZPSASNYVMTP-KRWDZBQOSA-N 1 0 305.418 3.182 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc2c(c1)CC(=O)N2C ZINC000297601021 290026144 /nfs/dbraw/zinc/02/61/44/290026144.db2.gz IANPEBMXABCSGF-BLLLJJGKSA-N 1 0 322.408 3.249 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(C)cc1O ZINC000282902601 433638300 /nfs/dbraw/zinc/63/83/00/433638300.db2.gz WUIORZFRLINYIJ-CQSZACIVSA-N 1 0 302.422 3.288 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C(N)=O)c1ccccc1 ZINC000282488606 433613321 /nfs/dbraw/zinc/61/33/21/433613321.db2.gz POFYHOSWHIAESK-GOSISDBHSA-N 1 0 312.413 3.221 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282566763 433620232 /nfs/dbraw/zinc/62/02/32/433620232.db2.gz FCAHTXOQLNVNFP-QGZVFWFLSA-N 1 0 305.418 3.230 20 10 DGCDRO CC[C@@H]([NH2+]CC1(COC)CCOCC1)c1ccc(N(C)C)cc1 ZINC000293694339 433833921 /nfs/dbraw/zinc/83/39/21/433833921.db2.gz NYRVIGYLUYHURR-GOSISDBHSA-N 1 0 320.477 3.237 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000377058311 433847489 /nfs/dbraw/zinc/84/74/89/433847489.db2.gz WABITVSAVDXUHU-KRWDZBQOSA-N 1 0 316.445 3.148 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1N(C)C ZINC000293815575 433878228 /nfs/dbraw/zinc/87/82/28/433878228.db2.gz ONVSRODZTSLWJH-BEFAXECRSA-N 1 0 312.461 3.341 20 10 DGCDRO OC1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000377617705 433926204 /nfs/dbraw/zinc/92/62/04/433926204.db2.gz AWARVHXUEZZTBF-UHFFFAOYSA-N 1 0 322.452 3.206 20 10 DGCDRO COCc1nc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cs1 ZINC000293964314 433944519 /nfs/dbraw/zinc/94/45/19/433944519.db2.gz AGQOUDVUXCZVBH-LBPRGKRZSA-N 1 0 306.431 3.463 20 10 DGCDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000377891012 434029405 /nfs/dbraw/zinc/02/94/05/434029405.db2.gz ZTDZMPWYAPZYIL-SFHVURJKSA-N 1 0 324.472 3.400 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1 ZINC000294604532 434122364 /nfs/dbraw/zinc/12/23/64/434122364.db2.gz DJCIYTIMCGPSBA-UONOGXRCSA-N 1 0 304.434 3.059 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1O ZINC000294768185 434140543 /nfs/dbraw/zinc/14/05/43/434140543.db2.gz JWDUSMMTDPBFGZ-QGZVFWFLSA-N 1 0 315.413 3.138 20 10 DGCDRO CC[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccc(N(C)C)cc1 ZINC000294827643 434147579 /nfs/dbraw/zinc/14/75/79/434147579.db2.gz GUDRETDOKQNWKK-UHFFFAOYSA-N 1 0 322.403 3.236 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](CO)c2ccccc2)c1O ZINC000294959188 434156113 /nfs/dbraw/zinc/15/61/13/434156113.db2.gz DQAYXRDXGRPUOZ-OAHLLOKOSA-N 1 0 321.804 3.220 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2scnc2C)ccc1OC ZINC000295006970 434160842 /nfs/dbraw/zinc/16/08/42/434160842.db2.gz LTHDZYUNILAACB-UHFFFAOYSA-N 1 0 320.458 3.329 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(C)(C)O ZINC000295061466 434172446 /nfs/dbraw/zinc/17/24/46/434172446.db2.gz RFRSNBGKTPCADX-TVQRCGJNSA-N 1 0 316.239 3.355 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000295867341 434438627 /nfs/dbraw/zinc/43/86/27/434438627.db2.gz GYAXHPNXZIROKE-QZTJIDSGSA-N 1 0 308.425 3.244 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000295867348 434439200 /nfs/dbraw/zinc/43/92/00/434439200.db2.gz GYAXHPNXZIROKE-ROUUACIJSA-N 1 0 308.425 3.244 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(Cn3cccn3)c1)CC2 ZINC000295845083 434439402 /nfs/dbraw/zinc/43/94/02/434439402.db2.gz FUNNJONTOUHGRP-SFHVURJKSA-N 1 0 319.408 3.414 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCc1nc3ccccc3[nH]1)CC2 ZINC000296161354 434529618 /nfs/dbraw/zinc/52/96/18/434529618.db2.gz XHYOWXBUHPZOQT-INIZCTEOSA-N 1 0 307.397 3.478 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1F ZINC000368765181 434582445 /nfs/dbraw/zinc/58/24/45/434582445.db2.gz MPOJKAWRUFNOAH-ROUUACIJSA-N 1 0 306.425 3.187 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c(O)c1C ZINC000368477327 434574920 /nfs/dbraw/zinc/57/49/20/434574920.db2.gz FQFKSRLZPMPEOX-HNNXBMFYSA-N 1 0 313.445 3.435 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1ccc(C)cc1O ZINC000527996750 435018274 /nfs/dbraw/zinc/01/82/74/435018274.db2.gz FRIIQQWAZIBQMU-WBVHZDCISA-N 1 0 310.397 3.305 20 10 DGCDRO CCOC[C@@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000530105983 435042500 /nfs/dbraw/zinc/04/25/00/435042500.db2.gz JZYCMNUBHONWJN-INIZCTEOSA-N 1 0 321.461 3.235 20 10 DGCDRO C[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCSC1 ZINC000130478924 523162305 /nfs/dbraw/zinc/16/23/05/523162305.db2.gz OQXYYUBRWNSPTH-NSHDSACASA-N 1 0 302.237 3.092 20 10 DGCDRO CC1(C)CN(C(=O)c2cccc3c2CC[NH2+]C3)c2cc(F)ccc21 ZINC000662828309 436392122 /nfs/dbraw/zinc/39/21/22/436392122.db2.gz HSJKHJGISJFLLQ-UHFFFAOYSA-N 1 0 324.399 3.409 20 10 DGCDRO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000185703082 333212464 /nfs/dbraw/zinc/21/24/64/333212464.db2.gz MJHFCGORYGVFIK-GOEBONIOSA-N 1 0 315.413 3.392 20 10 DGCDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000367969370 336833362 /nfs/dbraw/zinc/83/33/62/336833362.db2.gz ZARAQYHPQBJPDT-YWZLYKJASA-N 1 0 324.424 3.135 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000360059571 337084747 /nfs/dbraw/zinc/08/47/47/337084747.db2.gz PQSWRTAUFULZML-HOTGVXAUSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1O ZINC000184704900 533952377 /nfs/dbraw/zinc/95/23/77/533952377.db2.gz YSFIIRCXJMBNIV-ZDUSSCGKSA-N 1 0 324.808 3.040 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOCc2ccccc2)c1 ZINC000185633123 534204793 /nfs/dbraw/zinc/20/47/93/534204793.db2.gz ODGKCSBTNPDGBC-AWEZNQCLSA-N 1 0 301.386 3.268 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000163625450 520290439 /nfs/dbraw/zinc/29/04/39/520290439.db2.gz VCDANFXPEDOFOH-KBPBESRZSA-N 1 0 305.466 3.097 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCCc2nccs2)c(O)c1 ZINC000265638297 520367192 /nfs/dbraw/zinc/36/71/92/520367192.db2.gz UGFCFABCGXNOOD-UHFFFAOYSA-N 1 0 306.431 3.360 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236731681 521686623 /nfs/dbraw/zinc/68/66/23/521686623.db2.gz ZNWIVSNSTBUWDP-ZXFUBFMLSA-N 1 0 316.445 3.052 20 10 DGCDRO CC[C@H](C[NH2+][C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000227714355 522196379 /nfs/dbraw/zinc/19/63/79/522196379.db2.gz UASVTRCFLORHNC-QWHCGFSZSA-N 1 0 308.422 3.346 20 10 DGCDRO COc1cc(C[N@H+](Cc2cc(F)ccc2O)C2CC2)ccc1O ZINC000190015134 522358587 /nfs/dbraw/zinc/35/85/87/522358587.db2.gz FYLPDQLBWMXDOA-UHFFFAOYSA-N 1 0 317.360 3.410 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2cc(Cl)cn2C)cc1OC ZINC000160392679 522774007 /nfs/dbraw/zinc/77/40/07/522774007.db2.gz AHPJXIQKGBSUPQ-UHFFFAOYSA-N 1 0 324.808 3.033 20 10 DGCDRO CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(N(C)C)cc1 ZINC000133064955 522830856 /nfs/dbraw/zinc/83/08/56/522830856.db2.gz NWVJYJJRPYXGKT-GOSISDBHSA-N 1 0 300.450 3.458 20 10 DGCDRO CC[C@@H]([NH2+]CCC[C@H](C)O)c1cc(Br)ccc1O ZINC000228036710 522831155 /nfs/dbraw/zinc/83/11/55/522831155.db2.gz FHDJGJNZXBPNMF-GXFFZTMASA-N 1 0 316.239 3.356 20 10 DGCDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccccc1O ZINC000156961261 522865731 /nfs/dbraw/zinc/86/57/31/522865731.db2.gz BQBFSUMMKRRSSK-AEFFLSMTSA-N 1 0 303.377 3.480 20 10 DGCDRO CC[C@@H](O)CC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000119246949 522989529 /nfs/dbraw/zinc/98/95/29/522989529.db2.gz AMYGWNCQHJWMFY-YPMHNXCESA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc3ccccc3c1O)CC2 ZINC000185317773 534703311 /nfs/dbraw/zinc/70/33/11/534703311.db2.gz DGFQQSVSVKMFHR-DOMZBBRYSA-N 1 0 322.412 3.111 20 10 DGCDRO CC[C@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)c1nccs1 ZINC000182371663 523488835 /nfs/dbraw/zinc/48/88/35/523488835.db2.gz XFRGGIACUJJQAS-INIZCTEOSA-N 1 0 322.430 3.281 20 10 DGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000191651417 523898560 /nfs/dbraw/zinc/89/85/60/523898560.db2.gz SQDHVNMUEZVCEK-IVZWLZJFSA-N 1 0 302.212 3.229 20 10 DGCDRO CNC(=O)CCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268835175 524064957 /nfs/dbraw/zinc/06/49/57/524064957.db2.gz PJUUTHHVSHENKM-MRXNPFEDSA-N 1 0 317.477 3.244 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1 ZINC000182392226 524764109 /nfs/dbraw/zinc/76/41/09/524764109.db2.gz DMFRLUNHPCCALU-KUHUBIRLSA-N 1 0 315.413 3.402 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000182894616 524764589 /nfs/dbraw/zinc/76/45/89/524764589.db2.gz NAOABWBHZXUEAA-ZBFHGGJFSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)c1 ZINC000182324617 524771353 /nfs/dbraw/zinc/77/13/53/524771353.db2.gz VUIBCCZHEGMWLE-UGSOOPFHSA-N 1 0 301.386 3.093 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000129050237 525328321 /nfs/dbraw/zinc/32/83/21/525328321.db2.gz FHERCNDYWQBVLK-INIZCTEOSA-N 1 0 317.477 3.196 20 10 DGCDRO C[C@@H]([NH2+]CCCn1cccn1)c1cc(Br)ccc1O ZINC000181008809 525444166 /nfs/dbraw/zinc/44/41/66/525444166.db2.gz GNZPKQIBSOIUOO-LLVKDONJSA-N 1 0 324.222 3.092 20 10 DGCDRO COc1cccc(C[NH2+]C(C)(C)c2ccccc2OC)c1O ZINC000237186633 526011490 /nfs/dbraw/zinc/01/14/90/526011490.db2.gz PGCVALPSWABQBH-UHFFFAOYSA-N 1 0 301.386 3.434 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(OC(C)C)cc2)c1O ZINC000237220963 526024333 /nfs/dbraw/zinc/02/43/33/526024333.db2.gz UUSSMRPPGZFLPJ-UHFFFAOYSA-N 1 0 301.386 3.478 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180766104 526326725 /nfs/dbraw/zinc/32/67/25/526326725.db2.gz FFESWHLGOBAHRX-DYVFJYSZSA-N 1 0 320.864 3.494 20 10 DGCDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cccc(C)c1O)C2 ZINC000179820281 527085787 /nfs/dbraw/zinc/08/57/87/527085787.db2.gz KOSLKEWLBQFMJQ-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177356056 527816866 /nfs/dbraw/zinc/81/68/66/527816866.db2.gz NSHRFKJBSAKXAX-ZDUSSCGKSA-N 1 0 324.852 3.022 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000178715035 529154988 /nfs/dbraw/zinc/15/49/88/529154988.db2.gz QHYZOBWHJOTJSM-GJZGRUSLSA-N 1 0 305.466 3.098 20 10 DGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000178715023 529361001 /nfs/dbraw/zinc/36/10/01/529361001.db2.gz QHYZOBWHJOTJSM-CABCVRRESA-N 1 0 305.466 3.098 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1O ZINC000288432204 535461385 /nfs/dbraw/zinc/46/13/85/535461385.db2.gz BROYTQPRAUTNDQ-GUYCJALGSA-N 1 0 301.386 3.003 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC000730273326 574523654 /nfs/dbraw/zinc/52/36/54/574523654.db2.gz PXJBKZISXDCWCU-SFHVURJKSA-N 1 0 319.493 3.077 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000731450127 574549492 /nfs/dbraw/zinc/54/94/92/574549492.db2.gz DQSBRCSENYQVOK-UHFFFAOYSA-N 1 0 317.477 3.070 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnn3ccccc23)cc1 ZINC000731450657 574549914 /nfs/dbraw/zinc/54/99/14/574549914.db2.gz GHBDWXQTWAQPOS-UHFFFAOYSA-N 1 0 308.429 3.470 20 10 DGCDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000731843842 574560092 /nfs/dbraw/zinc/56/00/92/574560092.db2.gz YVBWQPVYNJWWJL-GOEBONIOSA-N 1 0 304.434 3.004 20 10 DGCDRO CCN(CC)[C@H](CNC(=O)C1=CC(=O)CS1)c1ccsc1 ZINC000731869246 574561495 /nfs/dbraw/zinc/56/14/95/574561495.db2.gz DMRBIJGFRBPTIZ-CYBMUJFWSA-N 1 0 324.471 3.328 20 10 DGCDRO CCN(CC)C(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000732204340 574567996 /nfs/dbraw/zinc/56/79/96/574567996.db2.gz JCFHHJFPZANXRJ-UHFFFAOYSA-N 1 0 304.434 3.005 20 10 DGCDRO O=C(C1=CC(=O)CS1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000732271399 574569916 /nfs/dbraw/zinc/56/99/16/574569916.db2.gz VUOIPQMKCPKNFU-UHFFFAOYSA-N 1 0 322.474 3.182 20 10 DGCDRO CCCCCC[N@H+](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000732279533 574570460 /nfs/dbraw/zinc/57/04/60/574570460.db2.gz UDNKHHDMQBZBQJ-UHFFFAOYSA-N 1 0 323.456 3.020 20 10 DGCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC(=O)CS2)C1 ZINC000732293466 574571151 /nfs/dbraw/zinc/57/11/51/574571151.db2.gz KHSROTRPMNLNKJ-GFCCVEGCSA-N 1 0 310.463 3.084 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CC2(C)C)c1O ZINC000732821186 574583663 /nfs/dbraw/zinc/58/36/63/574583663.db2.gz WGQMUHDVIFIZPS-JTQLQIEISA-N 1 0 314.223 3.299 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000733325753 574615889 /nfs/dbraw/zinc/61/58/89/574615889.db2.gz WKEYJADDHMOFEU-KRWDZBQOSA-N 1 0 312.413 3.010 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)c1O ZINC000733900706 574641771 /nfs/dbraw/zinc/64/17/71/574641771.db2.gz BUCBJCHDVHCIQX-UHFFFAOYSA-N 1 0 309.369 3.081 20 10 DGCDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000734477169 574663799 /nfs/dbraw/zinc/66/37/99/574663799.db2.gz LWCCUDCUOUJOFF-UKRRQHHQSA-N 1 0 311.381 3.499 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)Cn2cccn2)cc1F ZINC000740003883 574917823 /nfs/dbraw/zinc/91/78/23/574917823.db2.gz AHPVQWBGECZDDN-HNNXBMFYSA-N 1 0 318.440 3.294 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCN2CC)cc1F ZINC000740001989 574917858 /nfs/dbraw/zinc/91/78/58/574917858.db2.gz KUQMBTJKDGXBEV-INIZCTEOSA-N 1 0 307.457 3.246 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCC[C@@H]2C)cc1F ZINC000742386609 574995128 /nfs/dbraw/zinc/99/51/28/574995128.db2.gz JJLFAAJSYNTVBZ-HNNXBMFYSA-N 1 0 307.457 3.246 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1nncn1C ZINC000729680492 575260002 /nfs/dbraw/zinc/26/00/02/575260002.db2.gz QZXOKQLMUBUNEW-CYBMUJFWSA-N 1 0 308.385 3.039 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2CCC(C)(O)CC2)cc1F ZINC000749296514 575643167 /nfs/dbraw/zinc/64/31/67/575643167.db2.gz PELOIXHFSHTPRI-UHFFFAOYSA-N 1 0 308.441 3.455 20 10 DGCDRO COc1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)c(O)c1 ZINC000752267458 575829984 /nfs/dbraw/zinc/82/99/84/575829984.db2.gz ZBORNZBQZPFSHX-UHFFFAOYSA-N 1 0 305.418 3.230 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)cc1C ZINC000742367739 575840274 /nfs/dbraw/zinc/84/02/74/575840274.db2.gz HKSCENDIQQNUNB-UHFFFAOYSA-N 1 0 318.804 3.391 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCn1cccn1 ZINC000725845361 575928472 /nfs/dbraw/zinc/92/84/72/575928472.db2.gz ZPXOYKCRTZNENL-UHFFFAOYSA-N 1 0 307.397 3.436 20 10 DGCDRO CCN(CC)[C@H](C[NH2+]Cc1c(O)cccc1OC)c1ccco1 ZINC000725849741 575931729 /nfs/dbraw/zinc/93/17/29/575931729.db2.gz WIWFANSYEVKDCC-OAHLLOKOSA-N 1 0 318.417 3.167 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000726195456 576011863 /nfs/dbraw/zinc/01/18/63/576011863.db2.gz YTDJTUXXTQOSJC-UHFFFAOYSA-N 1 0 313.445 3.164 20 10 DGCDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000852796222 620649401 /nfs/dbraw/zinc/64/94/01/620649401.db2.gz AKKHVMBMCGSZKA-SFHVURJKSA-N 1 0 317.477 3.070 20 10 DGCDRO Cc1cc(C(=O)N(C)CC(C)(C)[NH3+])c(C)n1-c1ccccc1C ZINC000852841706 620651842 /nfs/dbraw/zinc/65/18/42/620651842.db2.gz OYDPOLDMGBIUCY-UHFFFAOYSA-N 1 0 313.445 3.212 20 10 DGCDRO CC(C)[C@@H](C)NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075177 620654927 /nfs/dbraw/zinc/65/49/27/620654927.db2.gz RORJBGYYNDBATC-MRXNPFEDSA-N 1 0 319.493 3.124 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000853553346 620709351 /nfs/dbraw/zinc/70/93/51/620709351.db2.gz DNUDELYALYGMKL-KDOFPFPSSA-N 1 0 317.429 3.220 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000853553348 620709450 /nfs/dbraw/zinc/70/94/50/620709450.db2.gz DNUDELYALYGMKL-KSSFIOAISA-N 1 0 317.429 3.220 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4COC[C@@]4(C)C3)c2c1 ZINC000853567103 620710141 /nfs/dbraw/zinc/71/01/41/620710141.db2.gz SYBGUUKHKPWYGG-AUUYWEPGSA-N 1 0 313.397 3.022 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000853582932 620712893 /nfs/dbraw/zinc/71/28/93/620712893.db2.gz XMLGSOFIBLUJOJ-UHFFFAOYSA-N 1 0 301.430 3.400 20 10 DGCDRO CCC(CC)CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000853589911 620713552 /nfs/dbraw/zinc/71/35/52/620713552.db2.gz QWKVDGVNWAYCKQ-QGZVFWFLSA-N 1 0 307.434 3.466 20 10 DGCDRO C[NH+](C)CC1(C(=O)NCc2cccc(Cl)c2O)CCCCC1 ZINC000890759226 617656503 /nfs/dbraw/zinc/65/65/03/617656503.db2.gz HJRDMECZNFQRMJ-UHFFFAOYSA-N 1 0 324.852 3.174 20 10 DGCDRO COc1ccc(C[N@H+](Cc2ccco2)C(C)C)c(O)c1OC ZINC000891587657 617845100 /nfs/dbraw/zinc/84/51/00/617845100.db2.gz XEAOETZYDOUPQM-UHFFFAOYSA-N 1 0 305.374 3.413 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891853215 617912314 /nfs/dbraw/zinc/91/23/14/617912314.db2.gz FINDXPBEQZXSAE-JKSUJKDBSA-N 1 0 323.408 3.238 20 10 DGCDRO C[N@H+](CCOCC1CC1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000120435421 617977792 /nfs/dbraw/zinc/97/77/92/617977792.db2.gz SHQGNCOEJFDHHE-UHFFFAOYSA-N 1 0 307.434 3.254 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(F)c(C)c2)c(O)c1OC ZINC000892485363 618079357 /nfs/dbraw/zinc/07/93/57/618079357.db2.gz HXRSWVCLLLZJMO-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC000840880899 618098347 /nfs/dbraw/zinc/09/83/47/618098347.db2.gz FWLZYXOGYSTDLL-QGZVFWFLSA-N 1 0 305.805 3.486 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cn(C)nc2C2CC2)cc1 ZINC000892614610 618119296 /nfs/dbraw/zinc/11/92/96/618119296.db2.gz LASTYXLTBOBHBV-UHFFFAOYSA-N 1 0 312.461 3.434 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3cc(C)ccc32)c(O)c1OC ZINC000892680649 618136242 /nfs/dbraw/zinc/13/62/42/618136242.db2.gz QUXVXHOIYCPLNE-INIZCTEOSA-N 1 0 313.397 3.495 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccc(O)c(F)c3)ccc21 ZINC000892732775 618150939 /nfs/dbraw/zinc/15/09/39/618150939.db2.gz LEORNSNZZLOGCA-UHFFFAOYSA-N 1 0 300.377 3.204 20 10 DGCDRO CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)c(Cl)c1[O-] ZINC000854226605 620785688 /nfs/dbraw/zinc/78/56/88/620785688.db2.gz IRGYEZJHQPZSRT-YAKODHLKSA-N 1 0 315.244 3.492 20 10 DGCDRO CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Cl)cc(Cl)c1[O-] ZINC000854226972 620786228 /nfs/dbraw/zinc/78/62/28/620786228.db2.gz KDIBESWOIHDFPY-MEXZMNCTSA-N 1 0 315.244 3.492 20 10 DGCDRO COc1ccc(CN[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000920182841 620789055 /nfs/dbraw/zinc/78/90/55/620789055.db2.gz ZOCPVMZPGRCLAU-YQQAZPJKSA-N 1 0 304.478 3.460 20 10 DGCDRO COc1ccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000892814488 618318196 /nfs/dbraw/zinc/31/81/96/618318196.db2.gz YWDKJFNEPBWLIF-UHFFFAOYSA-N 1 0 316.401 3.055 20 10 DGCDRO COC(=O)C1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000840893911 618319274 /nfs/dbraw/zinc/31/92/74/618319274.db2.gz MJJZQNUAWVOAIG-PLNGDYQASA-N 1 0 316.445 3.087 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@]2(C)Br)c1 ZINC000894503265 618358918 /nfs/dbraw/zinc/35/89/18/618358918.db2.gz ZRYAGBWTOAGEAO-BHDSKKPTSA-N 1 0 314.223 3.225 20 10 DGCDRO Cc1cc(C(=O)NCC[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000920399394 620798810 /nfs/dbraw/zinc/79/88/10/620798810.db2.gz RFRRENGODDNNDK-UHFFFAOYSA-N 1 0 319.836 3.039 20 10 DGCDRO Cn1cc(C[NH2+]CCCSc2nccs2)c(C2CC2)n1 ZINC000893044300 618402532 /nfs/dbraw/zinc/40/25/32/618402532.db2.gz FTFQJZACGWCFFF-UHFFFAOYSA-N 1 0 308.476 3.026 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)[C@H](CO)SC)c1cc(Cl)ccc1O ZINC000775509395 618501872 /nfs/dbraw/zinc/50/18/72/618501872.db2.gz LILXHFJPTWIXHS-LQJRIPTKSA-N 1 0 303.855 3.199 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000894938874 618502106 /nfs/dbraw/zinc/50/21/06/618502106.db2.gz GGLNVYGLQKTSQO-OAHLLOKOSA-N 1 0 313.445 3.185 20 10 DGCDRO COCC[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1C ZINC000840910715 618523711 /nfs/dbraw/zinc/52/37/11/618523711.db2.gz QOKCDBPPVDTKAM-UHFFFAOYSA-N 1 0 302.418 3.303 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c(O)c1OC ZINC000893354977 618528029 /nfs/dbraw/zinc/52/80/29/618528029.db2.gz AEYQQOQOQKWQIL-LSDHHAIUSA-N 1 0 305.418 3.468 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000840915929 618528658 /nfs/dbraw/zinc/52/86/58/618528658.db2.gz DBFXTAHDMHSJNN-GOSISDBHSA-N 1 0 302.462 3.310 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c(O)c1OC ZINC000895097819 618536138 /nfs/dbraw/zinc/53/61/38/618536138.db2.gz RANWQPMQXJBEPB-HZPDHXFCSA-N 1 0 313.397 3.303 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](SC)C(C)(C)C)c(O)c1OC ZINC000893517714 618580790 /nfs/dbraw/zinc/58/07/90/618580790.db2.gz BPJDYOPGCKZARL-CYBMUJFWSA-N 1 0 313.463 3.277 20 10 DGCDRO COc1ccc(C[NH+]2CCC(c3ccco3)CC2)c(O)c1OC ZINC000895321868 618595032 /nfs/dbraw/zinc/59/50/32/618595032.db2.gz SRWGCEHJRCGYOG-UHFFFAOYSA-N 1 0 317.385 3.382 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000840935869 618610315 /nfs/dbraw/zinc/61/03/15/618610315.db2.gz DDCVXFDZPPZAHM-UHFFFAOYSA-N 1 0 313.401 3.302 20 10 DGCDRO CC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@@H](C)[S@@]1=O ZINC000840948244 618620961 /nfs/dbraw/zinc/62/09/61/618620961.db2.gz NKFWKVFMQUHATD-HTGLOVNISA-N 1 0 315.866 3.085 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnn(C)c1Cl ZINC000840975217 618651304 /nfs/dbraw/zinc/65/13/04/618651304.db2.gz DWAYVNPHBSOQIW-CYBMUJFWSA-N 1 0 320.868 3.169 20 10 DGCDRO CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893967139 618684453 /nfs/dbraw/zinc/68/44/53/618684453.db2.gz IYPALPWQUIBXEW-UHFFFAOYSA-N 1 0 312.404 3.223 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)ccc21 ZINC000924869825 618712571 /nfs/dbraw/zinc/71/25/71/618712571.db2.gz JDOGHXVXDVYPJS-UYAOXDASSA-N 1 0 314.473 3.364 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2COc3ccccc3C2)c1O ZINC000894136731 618718348 /nfs/dbraw/zinc/71/83/48/618718348.db2.gz CWNSJTWOZNTCBM-CQSZACIVSA-N 1 0 313.397 3.050 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894148803 618720314 /nfs/dbraw/zinc/72/03/14/618720314.db2.gz FRCAAZKHXBZNOM-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc([C@H](C)O)cc2)c1O ZINC000894202812 618727781 /nfs/dbraw/zinc/72/77/81/618727781.db2.gz MFDKLFZGCZYGFH-ZDUSSCGKSA-N 1 0 301.386 3.052 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)Cc2cccc(O)c2)c1O ZINC000894238973 618736311 /nfs/dbraw/zinc/73/63/11/618736311.db2.gz WWYOIILOTCLENA-CYBMUJFWSA-N 1 0 301.386 3.136 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c1O ZINC000894259858 618743866 /nfs/dbraw/zinc/74/38/66/618743866.db2.gz ZNQZEEIJLZWSDR-PXAZEXFGSA-N 1 0 319.376 3.060 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC23CCOCC3)c1O ZINC000895457669 618786999 /nfs/dbraw/zinc/78/69/99/618786999.db2.gz IEPAHWRABSKYLM-HNNXBMFYSA-N 1 0 305.418 3.006 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895670269 618815784 /nfs/dbraw/zinc/81/57/84/618815784.db2.gz DMTFXYPSNAYFAK-GQCTYLIASA-N 1 0 313.489 3.326 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCCn2nncc2C1 ZINC000895757738 618827582 /nfs/dbraw/zinc/82/75/82/618827582.db2.gz YUWVHJFWLHQUHR-UHFFFAOYSA-N 1 0 320.396 3.057 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000895756312 618827821 /nfs/dbraw/zinc/82/78/21/618827821.db2.gz VAQUPLSVBWSVRK-IEBWSBKVSA-N 1 0 324.424 3.044 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c1O ZINC000895807210 618834080 /nfs/dbraw/zinc/83/40/80/618834080.db2.gz QEGAMHBIGGMFTF-OAHLLOKOSA-N 1 0 305.418 3.148 20 10 DGCDRO COCC1C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000895971853 618856041 /nfs/dbraw/zinc/85/60/41/618856041.db2.gz UXYFXLDDXHLKQK-UHFFFAOYSA-N 1 0 313.397 3.049 20 10 DGCDRO COC1(OC)CC2(C[N@H+](Cc3cc(C)ccc3O)[C@H]2C(C)C)C1 ZINC000895988159 618857879 /nfs/dbraw/zinc/85/78/79/618857879.db2.gz AHLMZERDDIYNMC-KRWDZBQOSA-N 1 0 319.445 3.310 20 10 DGCDRO COC1(OC)CC2(C[N@H+](Cc3cccc(C)c3O)[C@H]2C(C)C)C1 ZINC000895989610 618858109 /nfs/dbraw/zinc/85/81/09/618858109.db2.gz MGFQSCQESSPHED-KRWDZBQOSA-N 1 0 319.445 3.310 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c1O ZINC000896279681 618896427 /nfs/dbraw/zinc/89/64/27/618896427.db2.gz FCEADIXFQRZFKO-OLZOCXBDSA-N 1 0 303.324 3.154 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(c3ccn(C)n3)CC2)cc1Cl ZINC000896495029 618920390 /nfs/dbraw/zinc/92/03/90/618920390.db2.gz KZZSRRWUPBQAJH-UHFFFAOYSA-N 1 0 319.836 3.467 20 10 DGCDRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000896984531 618998870 /nfs/dbraw/zinc/99/88/70/618998870.db2.gz LEUMXGGLTOZHMJ-CQSZACIVSA-N 1 0 320.433 3.129 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000897298721 619048137 /nfs/dbraw/zinc/04/81/37/619048137.db2.gz HLIODYGVKMNQJP-ZDUSSCGKSA-N 1 0 318.442 3.230 20 10 DGCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(C)cc1O ZINC000897517959 619143767 /nfs/dbraw/zinc/14/37/67/619143767.db2.gz FRWBIQNGBYYVLW-CQSZACIVSA-N 1 0 305.340 3.274 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752806 619153387 /nfs/dbraw/zinc/15/33/87/619153387.db2.gz CDCBEWZKTVXNPV-RYUDHWBXSA-N 1 0 312.841 3.249 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H](N)c2ccccc2)ccc1OC ZINC000841035564 619172829 /nfs/dbraw/zinc/17/28/29/619172829.db2.gz IFRNCYPVVSBNGM-GOSISDBHSA-N 1 0 314.429 3.021 20 10 DGCDRO Cc1ccc(C[NH2+]CC2(C)CCC3(CC2)OCCO3)c(O)c1 ZINC000897714932 619175570 /nfs/dbraw/zinc/17/55/70/619175570.db2.gz DSYWQQHLKMTGEW-UHFFFAOYSA-N 1 0 305.418 3.114 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CCC[C@H]43)CC2)cc1 ZINC000897955233 619198502 /nfs/dbraw/zinc/19/85/02/619198502.db2.gz RIANGRZEAJCZDS-NIKGAXFTSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)CC2)cc1 ZINC000897955231 619198666 /nfs/dbraw/zinc/19/86/66/619198666.db2.gz RIANGRZEAJCZDS-GDIGMMSISA-N 1 0 300.446 3.442 20 10 DGCDRO C[C@H](Cc1cccnc1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000897967751 619200256 /nfs/dbraw/zinc/20/02/56/619200256.db2.gz YAPALUYJPPJNFJ-GFCCVEGCSA-N 1 0 305.372 3.147 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)c1 ZINC000898065140 619210263 /nfs/dbraw/zinc/21/02/63/619210263.db2.gz RIUDSHWFKBFFJY-GDZNZVCISA-N 1 0 303.402 3.011 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1O ZINC000898067881 619211100 /nfs/dbraw/zinc/21/11/00/619211100.db2.gz IOUCMYJKUOUHOB-CYBMUJFWSA-N 1 0 302.443 3.476 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1O ZINC000898070965 619212525 /nfs/dbraw/zinc/21/25/25/619212525.db2.gz CGNPDCDIEWJELL-ZDUSSCGKSA-N 1 0 318.442 3.312 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)(F)F)c(O)c1 ZINC000926922914 619249786 /nfs/dbraw/zinc/24/97/86/619249786.db2.gz SFDWUDLWGSODCC-QWHCGFSZSA-N 1 0 316.367 3.378 20 10 DGCDRO CCO[C@H](C[NH2+][C@@H](CC)c1cc(Cl)ccc1O)CN(C)C ZINC000926959542 619252610 /nfs/dbraw/zinc/25/26/10/619252610.db2.gz JRQQXARSCDCGCF-HIFRSBDPSA-N 1 0 314.857 3.053 20 10 DGCDRO CC[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccccc1O ZINC000926966225 619254122 /nfs/dbraw/zinc/25/41/22/619254122.db2.gz ZFLKBVJPDDOCPS-TZMCWYRMSA-N 1 0 304.356 3.316 20 10 DGCDRO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000927081680 619263122 /nfs/dbraw/zinc/26/31/22/619263122.db2.gz VFOHQYWAJZINKO-UKRRQHHQSA-N 1 0 301.386 3.002 20 10 DGCDRO COC(=O)C1(CCCC[NH2+]Cc2ccc(C)cc2O)CCC1 ZINC000898407722 619273320 /nfs/dbraw/zinc/27/33/20/619273320.db2.gz CSPVBVUIEGHURA-UHFFFAOYSA-N 1 0 305.418 3.304 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1 ZINC000898449662 619276226 /nfs/dbraw/zinc/27/62/26/619276226.db2.gz IQJNPURZZTXIRE-KXBFYZLASA-N 1 0 312.461 3.101 20 10 DGCDRO COc1cccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000898516209 619283045 /nfs/dbraw/zinc/28/30/45/619283045.db2.gz NZAZILZDBKMSMR-GOEBONIOSA-N 1 0 305.418 3.039 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000898516595 619283667 /nfs/dbraw/zinc/28/36/67/619283667.db2.gz VDRJHUHEZXTJEP-HUUCEWRRSA-N 1 0 305.418 3.039 20 10 DGCDRO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(Cl)c(Cl)cc1O ZINC000902466184 619641563 /nfs/dbraw/zinc/64/15/63/619641563.db2.gz JQDFEEUNTQEIIW-YPLRWFEVSA-N 1 0 301.217 3.243 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cc(Cl)ccc1O ZINC000903199086 619734929 /nfs/dbraw/zinc/73/49/29/619734929.db2.gz SVZPOVNEODYEKT-NSHDSACASA-N 1 0 305.809 3.357 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cc(Cl)ccc1O ZINC000903199085 619735048 /nfs/dbraw/zinc/73/50/48/619735048.db2.gz SVZPOVNEODYEKT-LLVKDONJSA-N 1 0 305.809 3.357 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](c3ccccn3)C3CC3)C2)cc1 ZINC000903200786 619735309 /nfs/dbraw/zinc/73/53/09/619735309.db2.gz UROPIIFQCOPKKH-UZLBHIALSA-N 1 0 323.440 3.410 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)CCc2ccccc2)c1 ZINC000903289972 619755036 /nfs/dbraw/zinc/75/50/36/619755036.db2.gz PRMHZOZGQKKFBB-HOCLYGCPSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1nn(C)cc1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000903336735 619759822 /nfs/dbraw/zinc/75/98/22/619759822.db2.gz CJZOKKLAIWGEPF-LBPRGKRZSA-N 1 0 311.385 3.138 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(OC(C)C)CCOC2)c(O)c1 ZINC000903357017 619764319 /nfs/dbraw/zinc/76/43/19/619764319.db2.gz IYYYGAHXJYHJKO-YJBOKZPZSA-N 1 0 307.434 3.244 20 10 DGCDRO CC[C@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1ccc(C)cc1O ZINC000903357573 619764579 /nfs/dbraw/zinc/76/45/79/619764579.db2.gz NUDONISHGNSPBC-WMZOPIPTSA-N 1 0 307.434 3.325 20 10 DGCDRO CC(C)O[C@@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCOC1 ZINC000903357534 619764731 /nfs/dbraw/zinc/76/47/31/619764731.db2.gz NAKYOWLKZLQSML-BLLLJJGKSA-N 1 0 313.825 3.280 20 10 DGCDRO CC(C)O[C@@]1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CCOC1 ZINC000903358748 619764906 /nfs/dbraw/zinc/76/49/06/619764906.db2.gz YWLUHNFIYBCSIJ-MLGOLLRUSA-N 1 0 313.825 3.280 20 10 DGCDRO C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccc(N(C)C)cc1 ZINC000903359896 619765247 /nfs/dbraw/zinc/76/52/47/619765247.db2.gz UEZLUIJBUMBKTP-QILLFSRXSA-N 1 0 300.446 3.362 20 10 DGCDRO Cc1ccc([C@@H](C)N[C@H](CC[NH+](C)C)c2cccnc2)c(O)c1 ZINC000903379398 619768116 /nfs/dbraw/zinc/76/81/16/619768116.db2.gz GLAKDISMNUEMAK-CRAIPNDOSA-N 1 0 313.445 3.439 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(N(C)C)cc1 ZINC000903386336 619769874 /nfs/dbraw/zinc/76/98/74/619769874.db2.gz BBRIMARMYRIAPP-MSOLQXFVSA-N 1 0 318.461 3.131 20 10 DGCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(Cl)cc1O ZINC000903441114 619775768 /nfs/dbraw/zinc/77/57/68/619775768.db2.gz XPXHKEKNVNBESU-UDTVLSCZSA-N 1 0 303.789 3.355 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Cl)c1 ZINC000903983065 619848303 /nfs/dbraw/zinc/84/83/03/619848303.db2.gz BFFQXZFXJBAXAU-JQWIXIFHSA-N 1 0 322.758 3.066 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)C1(Cl)CC1)c1ccc(N2CCOCC2)cc1 ZINC000924795902 619894576 /nfs/dbraw/zinc/89/45/76/619894576.db2.gz RDUILZQAIBIJGY-KBPBESRZSA-N 1 0 308.853 3.334 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCC=CCCC2)cc1 ZINC000911665521 620339721 /nfs/dbraw/zinc/33/97/21/620339721.db2.gz DCSXDBRIGHBWAB-AEFFLSMTSA-N 1 0 315.461 3.005 20 10 DGCDRO CCS[C@@H]1CCCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000153114321 620533964 /nfs/dbraw/zinc/53/39/64/620533964.db2.gz MBYLSTAEUCVRJZ-CYBMUJFWSA-N 1 0 309.431 3.229 20 10 DGCDRO CC[N@H+](Cc1cnc2ccccn12)Cc1ccc(N(C)C)cc1 ZINC000153333454 620551558 /nfs/dbraw/zinc/55/15/58/620551558.db2.gz XJOCWVBPOYJRFJ-UHFFFAOYSA-N 1 0 308.429 3.422 20 10 DGCDRO COC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000112962185 620867964 /nfs/dbraw/zinc/86/79/64/620867964.db2.gz AUANQZSQICSSDV-AWEZNQCLSA-N 1 0 315.413 3.412 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000113321196 620904236 /nfs/dbraw/zinc/90/42/36/620904236.db2.gz ARONTFPPPCCHRM-IBGZPJMESA-N 1 0 310.441 3.455 20 10 DGCDRO COc1nc(C)cc(C)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921668027 620930534 /nfs/dbraw/zinc/93/05/34/620930534.db2.gz WBGGCOWEKULURW-UHFFFAOYSA-N 1 0 312.413 3.322 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnn(CCF)c2)cc1F ZINC000921717872 620940131 /nfs/dbraw/zinc/94/01/31/620940131.db2.gz VTNYMPKCDNRSMI-UHFFFAOYSA-N 1 0 322.403 3.128 20 10 DGCDRO Cc1cccn2cc(CNCc3ccc4c(c3)CCCO4)nc12 ZINC000921757841 620945544 /nfs/dbraw/zinc/94/55/44/620945544.db2.gz ADSHEFIDVCSISD-UHFFFAOYSA-N 1 0 307.397 3.258 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(F)cc1 ZINC000921939775 620970739 /nfs/dbraw/zinc/97/07/39/620970739.db2.gz GZJZQMAQMGEQOV-LJQANCHMSA-N 1 0 315.388 3.148 20 10 DGCDRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921967952 620974724 /nfs/dbraw/zinc/97/47/24/620974724.db2.gz UKAQJLDQAWOAMF-UHFFFAOYSA-N 1 0 313.445 3.084 20 10 DGCDRO COCC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccco1 ZINC000921981278 620976784 /nfs/dbraw/zinc/97/67/84/620976784.db2.gz SLLZJLYWWQQWFX-INIZCTEOSA-N 1 0 301.386 3.472 20 10 DGCDRO C[C@@H](O)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1F ZINC000922215336 621006569 /nfs/dbraw/zinc/00/65/69/621006569.db2.gz GJAIIEWICXEGKX-BFUOFWGJSA-N 1 0 315.388 3.362 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(OC)ccc2F)c1 ZINC000856801228 621023636 /nfs/dbraw/zinc/02/36/36/621023636.db2.gz MOZARONLHQRXED-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000922425741 621037559 /nfs/dbraw/zinc/03/75/59/621037559.db2.gz GJYPLUBHBFHKOZ-PKOBYXMFSA-N 1 0 300.446 3.193 20 10 DGCDRO FC(F)(F)[C@@H]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)O1 ZINC000922454141 621039349 /nfs/dbraw/zinc/03/93/49/621039349.db2.gz BMSILUWDQYSCAC-ZFWWWQNUSA-N 1 0 315.335 3.211 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1F ZINC000922458522 621040556 /nfs/dbraw/zinc/04/05/56/621040556.db2.gz QNYMICSREFTABS-RISCZKNCSA-N 1 0 320.330 3.091 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)cc1F ZINC000857061897 621052813 /nfs/dbraw/zinc/05/28/13/621052813.db2.gz WIQPMBMSOPGPBK-GOEBONIOSA-N 1 0 308.441 3.122 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(F)c1 ZINC000922561453 621055799 /nfs/dbraw/zinc/05/57/99/621055799.db2.gz AIYPPQUSDLHVSA-IBGZPJMESA-N 1 0 315.388 3.148 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c(Cl)c1 ZINC000922609299 621067265 /nfs/dbraw/zinc/06/72/65/621067265.db2.gz LSNWLSDRPAOQBZ-INIZCTEOSA-N 1 0 313.825 3.028 20 10 DGCDRO CC(C)(/C=C/Cl)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922644085 621072207 /nfs/dbraw/zinc/07/22/07/621072207.db2.gz FYJGEFANYXOGFU-MDZDMXLPSA-N 1 0 308.853 3.268 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000922679852 621077073 /nfs/dbraw/zinc/07/70/73/621077073.db2.gz SATMMRTXRBHMDS-OCCSQVGLSA-N 1 0 303.324 3.290 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]23CCC[C@H]2OCC3)cc1 ZINC000922692860 621082779 /nfs/dbraw/zinc/08/27/79/621082779.db2.gz SKMLIWLGWDALTG-XOIGSVRCSA-N 1 0 300.446 3.315 20 10 DGCDRO FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000922698254 621084228 /nfs/dbraw/zinc/08/42/28/621084228.db2.gz WPXCSGGFJVZAIY-HIFRSBDPSA-N 1 0 315.335 3.211 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2nc3c(s2)CCCC3)c1O ZINC000922700619 621085327 /nfs/dbraw/zinc/08/53/27/621085327.db2.gz ORCYZUUIOFJDTP-UHFFFAOYSA-N 1 0 318.442 3.416 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCc1cccc2oc(C)nc21 ZINC000922770253 621097556 /nfs/dbraw/zinc/09/75/56/621097556.db2.gz IBZOGABALOCYRN-UHFFFAOYSA-N 1 0 312.369 3.183 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c1 ZINC000922811589 621102536 /nfs/dbraw/zinc/10/25/36/621102536.db2.gz KZQBVHGZENFZQD-MRXNPFEDSA-N 1 0 305.418 3.372 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c(Cl)c1 ZINC000922871653 621112369 /nfs/dbraw/zinc/11/23/69/621112369.db2.gz UIOYVNWWSWHJRF-LYILDCAHSA-N 1 0 311.809 3.126 20 10 DGCDRO CCCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757967 621118054 /nfs/dbraw/zinc/11/80/54/621118054.db2.gz YRBVNLFMPNCOOY-MRXNPFEDSA-N 1 0 319.493 3.269 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857868855 621125216 /nfs/dbraw/zinc/12/52/16/621125216.db2.gz DXXIYUIJDWXHOL-KSSFIOAISA-N 1 0 312.461 3.382 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000922898983 621129182 /nfs/dbraw/zinc/12/91/82/621129182.db2.gz UXVGQSJXCUPGPQ-KBXCAEBGSA-N 1 0 305.418 3.086 20 10 DGCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000858010710 621143692 /nfs/dbraw/zinc/14/36/92/621143692.db2.gz FKEGSIABYVQBOM-HNNXBMFYSA-N 1 0 318.804 3.402 20 10 DGCDRO Cc1cc(C)n(CCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000858086973 621151201 /nfs/dbraw/zinc/15/12/01/621151201.db2.gz HGDVUNGVQXMJBE-UHFFFAOYSA-N 1 0 322.403 3.024 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCc2ccc(O)cc2)cc1F ZINC000858110097 621154074 /nfs/dbraw/zinc/15/40/74/621154074.db2.gz JAAOISFWCNOCEH-UHFFFAOYSA-N 1 0 306.356 3.069 20 10 DGCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858134886 621156077 /nfs/dbraw/zinc/15/60/77/621156077.db2.gz JKRZULCLNQIARL-SFHVURJKSA-N 1 0 320.383 3.162 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccccc1 ZINC000858164687 621160538 /nfs/dbraw/zinc/16/05/38/621160538.db2.gz CTMRTTUJJPIHQX-SGTLLEGYSA-N 1 0 320.383 3.243 20 10 DGCDRO Cc1ncsc1CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858172613 621161161 /nfs/dbraw/zinc/16/11/61/621161161.db2.gz DAKFHCWEDFAMOG-UHFFFAOYSA-N 1 0 311.401 3.128 20 10 DGCDRO CO[C@](C)([C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000858177293 621161645 /nfs/dbraw/zinc/16/16/45/621161645.db2.gz OBSQOWVHXHHDSW-APPDUMDISA-N 1 0 312.404 3.324 20 10 DGCDRO COc1cccc([C@H](C[NH2+]Cc2ccc(N(C)C)cc2)OC)c1 ZINC000858204488 621164585 /nfs/dbraw/zinc/16/45/85/621164585.db2.gz MYKLZUPZPHSYFI-IBGZPJMESA-N 1 0 314.429 3.239 20 10 DGCDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858228665 621166408 /nfs/dbraw/zinc/16/64/08/621166408.db2.gz IXNNMMDLVJVINI-QFBILLFUSA-N 1 0 300.446 3.334 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858244132 621167933 /nfs/dbraw/zinc/16/79/33/621167933.db2.gz ACXLBXDTXNRLCL-SFHVURJKSA-N 1 0 303.494 3.354 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1cc(Cl)ccc1O ZINC000858474659 621195748 /nfs/dbraw/zinc/19/57/48/621195748.db2.gz STGIKMBKXKBBRR-OCCSQVGLSA-N 1 0 309.793 3.348 20 10 DGCDRO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000858496980 621198131 /nfs/dbraw/zinc/19/81/31/621198131.db2.gz WUKNIEKEIQYMMB-LBPRGKRZSA-N 1 0 316.376 3.365 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccccc1O ZINC000858540627 621203330 /nfs/dbraw/zinc/20/33/30/621203330.db2.gz KFAZMBNMXLZTCE-HNNXBMFYSA-N 1 0 304.434 3.082 20 10 DGCDRO C[C@@H]([NH2+]CCN(C)CC(F)F)c1ccc2ccccc2c1O ZINC000858596647 621208509 /nfs/dbraw/zinc/20/85/09/621208509.db2.gz IFYDALXAIXCALP-GFCCVEGCSA-N 1 0 308.372 3.393 20 10 DGCDRO COC(=O)CCCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000859139414 621252526 /nfs/dbraw/zinc/25/25/26/621252526.db2.gz NJYVUMCYCTXQMH-UHFFFAOYSA-N 1 0 305.418 3.480 20 10 DGCDRO CCO[C@@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000859191131 621258702 /nfs/dbraw/zinc/25/87/02/621258702.db2.gz WQKXZRNMAFJBKC-HKUYNNGSSA-N 1 0 319.445 3.188 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)c1O ZINC000859616888 621299108 /nfs/dbraw/zinc/29/91/08/621299108.db2.gz SQSYPZAZPNGQJK-SFHVURJKSA-N 1 0 323.408 3.155 20 10 DGCDRO CCCC[N@H+](CCC(=O)N1CCCC1)Cc1ccccc1O ZINC000838983265 621310834 /nfs/dbraw/zinc/31/08/34/621310834.db2.gz NLSLDVIOQWOZFR-UHFFFAOYSA-N 1 0 304.434 3.007 20 10 DGCDRO CCCC[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144753 621332263 /nfs/dbraw/zinc/33/22/63/621332263.db2.gz KDVFMKJTVHGBPL-CYBMUJFWSA-N 1 0 312.404 3.470 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc(F)c1N1CCOCC1 ZINC000839145187 621332365 /nfs/dbraw/zinc/33/23/65/621332365.db2.gz NJYXGUGIVUTJOS-PBHICJAKSA-N 1 0 322.399 3.080 20 10 DGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000839148018 621332788 /nfs/dbraw/zinc/33/27/88/621332788.db2.gz UGSMFUPOSHLBIA-BETUJISGSA-N 1 0 314.223 3.200 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1O ZINC000839191415 621346640 /nfs/dbraw/zinc/34/66/40/621346640.db2.gz JLEULXPCJTYJDT-HUUCEWRRSA-N 1 0 307.434 3.473 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)c(O)c1 ZINC000839191823 621346906 /nfs/dbraw/zinc/34/69/06/621346906.db2.gz KCINWTXROVEREV-HZPDHXFCSA-N 1 0 307.434 3.473 20 10 DGCDRO c1nc(-c2ccncc2)sc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000753368785 621438293 /nfs/dbraw/zinc/43/82/93/621438293.db2.gz RCAYZLNOOPAZFO-UHFFFAOYSA-N 1 0 323.421 3.430 20 10 DGCDRO COc1cc(O)c(C[NH2+]C2(C)CCC(F)(F)CC2)cc1OC ZINC000753571761 621449878 /nfs/dbraw/zinc/44/98/78/621449878.db2.gz ZOSOGZBYPRGOOA-UHFFFAOYSA-N 1 0 315.360 3.467 20 10 DGCDRO Oc1ccccc1C[N@H+](CC[C@H]1CCCCO1)C[C@H]1CCCO1 ZINC000754070160 621484766 /nfs/dbraw/zinc/48/47/66/621484766.db2.gz WVQKHSUGRJFTFD-QZTJIDSGSA-N 1 0 319.445 3.332 20 10 DGCDRO Oc1ccccc1C[N@H+](CC[C@@H]1CCCCO1)C[C@H]1CCCO1 ZINC000754070164 621484854 /nfs/dbraw/zinc/48/48/54/621484854.db2.gz WVQKHSUGRJFTFD-ZWKOTPCHSA-N 1 0 319.445 3.332 20 10 DGCDRO COC[C@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000754739847 621530215 /nfs/dbraw/zinc/53/02/15/621530215.db2.gz CIFBDQMIQNNMOC-ZDUSSCGKSA-N 1 0 307.434 3.167 20 10 DGCDRO CC[N@@H+](Cc1c(O)cccc1Br)C[C@H]1CCOC1 ZINC000862224477 621563927 /nfs/dbraw/zinc/56/39/27/621563927.db2.gz XTVBQYPTQOTJBJ-LLVKDONJSA-N 1 0 314.223 3.013 20 10 DGCDRO CN(C)c1cc(F)c(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1F ZINC000862336934 621575399 /nfs/dbraw/zinc/57/53/99/621575399.db2.gz ONFDNRKKURVMRT-GOSISDBHSA-N 1 0 324.415 3.422 20 10 DGCDRO C[C@H]1CSCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862344477 621576528 /nfs/dbraw/zinc/57/65/28/621576528.db2.gz SYEDZCKOWORPNL-LLVKDONJSA-N 1 0 300.418 3.216 20 10 DGCDRO CN(C)c1cc(F)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000862364998 621578814 /nfs/dbraw/zinc/57/88/14/621578814.db2.gz JRGCPWVZLYGESD-YIONKMFJSA-N 1 0 323.431 3.088 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@]3(C)CCCS3)C2)cc1 ZINC000862407731 621586258 /nfs/dbraw/zinc/58/62/58/621586258.db2.gz KZCRAWLAFSQDKW-PBHICJAKSA-N 1 0 306.475 3.149 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@](C)(CO)c2cccc(O)c2)cc1Cl ZINC000862433067 621589059 /nfs/dbraw/zinc/58/90/59/621589059.db2.gz SXAUEUPDIDCURK-KRWDZBQOSA-N 1 0 321.804 3.057 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](OC)c2cccc(OC)c2)c1O ZINC000862433159 621589157 /nfs/dbraw/zinc/58/91/57/621589157.db2.gz CNCZANIYIGNRMO-SFHVURJKSA-N 1 0 315.413 3.441 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(N2CCOCC2)c(F)c1 ZINC000118945795 621591893 /nfs/dbraw/zinc/59/18/93/621591893.db2.gz FTKBJADWNKZXIL-DZGCQCFKSA-N 1 0 324.465 3.209 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1O ZINC000862482654 621593895 /nfs/dbraw/zinc/59/38/95/621593895.db2.gz KNQKZUVBCLDMGZ-HXUWFJFHSA-N 1 0 311.425 3.438 20 10 DGCDRO C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000862483040 621594347 /nfs/dbraw/zinc/59/43/47/621594347.db2.gz NWPRVKASDNXRRB-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000862489060 621595638 /nfs/dbraw/zinc/59/56/38/621595638.db2.gz YLALQAYUBHQHOT-MRXNPFEDSA-N 1 0 311.381 3.287 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000862489531 621595764 /nfs/dbraw/zinc/59/57/64/621595764.db2.gz OKUZLPAJOLNCHS-ZDUSSCGKSA-N 1 0 309.793 3.096 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000862540156 621598188 /nfs/dbraw/zinc/59/81/88/621598188.db2.gz AJGLTOOMMQVNDM-HNNXBMFYSA-N 1 0 313.397 3.486 20 10 DGCDRO Cc1ccc(O)c(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000862756960 621613639 /nfs/dbraw/zinc/61/36/39/621613639.db2.gz BVIBXBLTRGBLGE-QGZVFWFLSA-N 1 0 316.445 3.114 20 10 DGCDRO C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756364025 621631271 /nfs/dbraw/zinc/63/12/71/621631271.db2.gz RWWHSEXFUYRGCW-CQSZACIVSA-N 1 0 321.421 3.073 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]C2CCN(C3CC3)CC2)c2c1c(F)ccc2O ZINC000756368886 621632009 /nfs/dbraw/zinc/63/20/09/621632009.db2.gz RJZKQXXINGVUTA-NHYWBVRUSA-N 1 0 304.409 3.296 20 10 DGCDRO COc1ccccc1OCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756374143 621632789 /nfs/dbraw/zinc/63/27/89/621632789.db2.gz XZYQHXCMEFKKAD-AWEZNQCLSA-N 1 0 301.386 3.439 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)nc2)c2c1c(F)ccc2O ZINC000756401424 621635445 /nfs/dbraw/zinc/63/54/45/621635445.db2.gz PBVXXJQEBYWCRZ-BXUZGUMPSA-N 1 0 315.392 3.330 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000756434400 621638173 /nfs/dbraw/zinc/63/81/73/621638173.db2.gz XALYFNUYNVKVDJ-ACJLOTCBSA-N 1 0 302.462 3.262 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1 ZINC000756454358 621639668 /nfs/dbraw/zinc/63/96/68/621639668.db2.gz MBLVPGBGKYUZDG-JONQDZQNSA-N 1 0 320.477 3.418 20 10 DGCDRO COc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000756494833 621642148 /nfs/dbraw/zinc/64/21/48/621642148.db2.gz HSZOBICTHQIPJY-LBPRGKRZSA-N 1 0 319.376 3.442 20 10 DGCDRO COCCOCCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756516177 621644447 /nfs/dbraw/zinc/64/44/47/621644447.db2.gz IDFMMVCXTKQPAU-JSGCOSHPSA-N 1 0 311.397 3.112 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c2c1c(F)ccc2O ZINC000756517954 621644635 /nfs/dbraw/zinc/64/46/35/621644635.db2.gz RIRWOGJETOWBCE-PWSUYJOCSA-N 1 0 324.396 3.194 20 10 DGCDRO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756533661 621645542 /nfs/dbraw/zinc/64/55/42/621645542.db2.gz GDJPSQLEHIDKOA-LBPRGKRZSA-N 1 0 304.365 3.403 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2[C@H](C)CCC[C@H]2C)c1 ZINC000756552418 621647181 /nfs/dbraw/zinc/64/71/81/621647181.db2.gz MGIJRFOAYIGCQI-KFWWJZLASA-N 1 0 306.450 3.314 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C(C)C ZINC000756596923 621651738 /nfs/dbraw/zinc/65/17/38/621651738.db2.gz ILYJRTJVICHDGC-ZWNOBZJWSA-N 1 0 316.239 3.476 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)Cc3ccccc3C2)c(O)c1 ZINC000756596883 621651851 /nfs/dbraw/zinc/65/18/51/621651851.db2.gz IFDWVKSPNJUDBL-INIZCTEOSA-N 1 0 324.468 3.450 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c2c1c(F)ccc2O ZINC000756606029 621652168 /nfs/dbraw/zinc/65/21/68/621652168.db2.gz KPZAEMYEKBGOKA-RCASKQETSA-N 1 0 305.393 3.483 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOC[C@H]2CCOC2)c(O)c1C ZINC000756602956 621652320 /nfs/dbraw/zinc/65/23/20/621652320.db2.gz HBIPMWYWIWODDC-HZPDHXFCSA-N 1 0 307.434 3.103 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2)c2c1c(F)ccc2O ZINC000756654148 621656291 /nfs/dbraw/zinc/65/62/91/621656291.db2.gz HDTJTWQPBFDWFW-UGFHNGPFSA-N 1 0 301.361 3.403 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756656084 621656694 /nfs/dbraw/zinc/65/66/94/621656694.db2.gz SXLRIMVJIVJYFE-GDBMZVCRSA-N 1 0 316.445 3.142 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756710668 621659439 /nfs/dbraw/zinc/65/94/39/621659439.db2.gz DWZKPKUKVSZVLT-WMLDXEAASA-N 1 0 315.413 3.402 20 10 DGCDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000756731512 621661462 /nfs/dbraw/zinc/66/14/62/621661462.db2.gz BZGKGOXSVXDJOA-KBPBESRZSA-N 1 0 303.402 3.248 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c1 ZINC000756738076 621661688 /nfs/dbraw/zinc/66/16/88/621661688.db2.gz JCUCDIWWJHVAPU-BZNIZROVSA-N 1 0 307.340 3.363 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2O ZINC000756736446 621661857 /nfs/dbraw/zinc/66/18/57/621661857.db2.gz NWIMQEAFIMBAJS-NQBHXWOUSA-N 1 0 320.408 3.069 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(F)ccc1O ZINC000756763284 621662697 /nfs/dbraw/zinc/66/26/97/621662697.db2.gz WRSKDWFKQCFSLS-WBMJQRKESA-N 1 0 320.408 3.116 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)n2)c2c1c(F)ccc2O ZINC000756770274 621663424 /nfs/dbraw/zinc/66/34/24/621663424.db2.gz VTVSXOOMLYOEDW-FZMZJTMJSA-N 1 0 315.392 3.330 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000756765792 621663524 /nfs/dbraw/zinc/66/35/24/621663524.db2.gz RBPUWQBWIMVGIV-LSDHHAIUSA-N 1 0 305.418 3.079 20 10 DGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C2 ZINC000756774907 621663732 /nfs/dbraw/zinc/66/37/32/621663732.db2.gz MHQHJKDBRNNKEE-FZMZJTMJSA-N 1 0 317.360 3.194 20 10 DGCDRO CC[C@H]([NH2+]CCOCCC[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000863547989 621683082 /nfs/dbraw/zinc/68/30/82/621683082.db2.gz SWUSQPLGPIZQJJ-ZDUSSCGKSA-N 1 0 321.248 3.105 20 10 DGCDRO CCOc1ccc(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)OC)c(O)c1 ZINC000757801860 621740664 /nfs/dbraw/zinc/74/06/64/621740664.db2.gz YBUKBGBATNJDPH-CRAIPNDOSA-N 1 0 321.417 3.002 20 10 DGCDRO Cc1ccnc(C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)n1 ZINC000758261466 621771791 /nfs/dbraw/zinc/77/17/91/621771791.db2.gz BVJVFYKPVVOHAL-UHFFFAOYSA-N 1 0 323.440 3.359 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)CC(C)(C)OC)c2c1 ZINC000758412263 621780957 /nfs/dbraw/zinc/78/09/57/621780957.db2.gz NXPSWVCHQPBCEF-UHFFFAOYSA-N 1 0 303.402 3.411 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000758529679 621786680 /nfs/dbraw/zinc/78/66/80/621786680.db2.gz QOYIGPLBBMDPAP-PKOBYXMFSA-N 1 0 315.388 3.096 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2cccc(C)c2)c1 ZINC000120149061 621791761 /nfs/dbraw/zinc/79/17/61/621791761.db2.gz SWHLGKRLDTWGCG-AWEZNQCLSA-N 1 0 301.386 3.439 20 10 DGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000759788054 621890265 /nfs/dbraw/zinc/89/02/65/621890265.db2.gz ZJIPKFFVERRLIS-UHFFFAOYSA-N 1 0 321.465 3.099 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cc4c(cc[nH]c4=O)o3)ccc21 ZINC000865437431 621920742 /nfs/dbraw/zinc/92/07/42/621920742.db2.gz LPGVTYBVKAGLDS-UHFFFAOYSA-N 1 0 323.396 3.206 20 10 DGCDRO O=c1[nH]ccc2oc(C[NH2+]CCCSc3nccs3)cc21 ZINC000865469560 621928508 /nfs/dbraw/zinc/92/85/08/621928508.db2.gz ZBNHNTRISAPZSV-UHFFFAOYSA-N 1 0 321.427 3.262 20 10 DGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000760885975 621971960 /nfs/dbraw/zinc/97/19/60/621971960.db2.gz NDBOGARNYHFYPH-SOVGHPHASA-N 1 0 319.445 3.116 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c(O)c1 ZINC000865762315 621990716 /nfs/dbraw/zinc/99/07/16/621990716.db2.gz NOCMNHYKKIKNAG-QAPCUYQASA-N 1 0 305.418 3.086 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC23CCOCC3)cc1F ZINC000865778051 621993634 /nfs/dbraw/zinc/99/36/34/621993634.db2.gz FVVKVHHQJMRNIZ-OAHLLOKOSA-N 1 0 306.425 3.188 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1 ZINC000761216198 621995302 /nfs/dbraw/zinc/99/53/02/621995302.db2.gz MRZQUXCFOAUGPY-UHFFFAOYSA-N 1 0 318.461 3.170 20 10 DGCDRO Cc1nc(C)c(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000761223876 621995640 /nfs/dbraw/zinc/99/56/40/621995640.db2.gz TXJIMQRLQIMPNX-UHFFFAOYSA-N 1 0 319.474 3.337 20 10 DGCDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000761229872 621996029 /nfs/dbraw/zinc/99/60/29/621996029.db2.gz VKJZHJZGFZMRDO-JTQLQIEISA-N 1 0 307.312 3.230 20 10 DGCDRO C[N@H+](CCc1ccccn1)Cc1cccc(Br)c1[O-] ZINC000120822550 622024235 /nfs/dbraw/zinc/02/42/35/622024235.db2.gz XLIOYOMZDGMFQQ-UHFFFAOYSA-N 1 0 321.218 3.224 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1C ZINC000762619166 622087288 /nfs/dbraw/zinc/08/72/88/622087288.db2.gz XQCFYZMQZJGLQL-FVQBIDKESA-N 1 0 309.500 3.473 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)c(O)c1 ZINC000866426808 622116207 /nfs/dbraw/zinc/11/62/07/622116207.db2.gz DWUCGZAOONZHGV-UKRRQHHQSA-N 1 0 307.434 3.449 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOCC(=O)OC(C)(C)C)c(O)c1 ZINC000866437443 622118386 /nfs/dbraw/zinc/11/83/86/622118386.db2.gz HEXSXPWVDOBYOG-CQSZACIVSA-N 1 0 323.433 3.018 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc(Br)ccc1O ZINC000866443408 622119227 /nfs/dbraw/zinc/11/92/27/622119227.db2.gz LXGADMPCTDXAMP-PRFIWBCESA-N 1 0 314.223 3.371 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c(O)c1 ZINC000866462898 622122205 /nfs/dbraw/zinc/12/22/05/622122205.db2.gz CQJLXCZNBFQQEG-BPNCWPANSA-N 1 0 305.340 3.299 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866463916 622122310 /nfs/dbraw/zinc/12/23/10/622122310.db2.gz QGKVOQONCOGANG-INNHCVQGSA-N 1 0 311.731 3.398 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)on1 ZINC000866515253 622130818 /nfs/dbraw/zinc/13/08/18/622130818.db2.gz FBIJGDUUJZESKT-GFCCVEGCSA-N 1 0 318.373 3.025 20 10 DGCDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CCOC1 ZINC000763572750 622153010 /nfs/dbraw/zinc/15/30/10/622153010.db2.gz OQPRPSLHZSLHDA-APWZRJJASA-N 1 0 318.461 3.133 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000121884585 622189449 /nfs/dbraw/zinc/18/94/49/622189449.db2.gz XZTJKJQUMSVZNF-XQQFMLRXSA-N 1 0 310.488 3.173 20 10 DGCDRO COc1ccccc1OCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000764587814 622205680 /nfs/dbraw/zinc/20/56/80/622205680.db2.gz CDAFBNUZEYZDIE-OAHLLOKOSA-N 1 0 314.429 3.491 20 10 DGCDRO CC[C@H]([NH2+]CCc1nnc2ccccn21)c1ccc(N(C)C)cc1 ZINC000764642388 622209568 /nfs/dbraw/zinc/20/95/68/622209568.db2.gz ZIUKKJFVBNCJKM-KRWDZBQOSA-N 1 0 323.444 3.079 20 10 DGCDRO C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1O ZINC000868264756 622229360 /nfs/dbraw/zinc/22/93/60/622229360.db2.gz UWPTUKVJPCMXJE-BBRMVZONSA-N 1 0 321.465 3.119 20 10 DGCDRO CC(C)[NH+](CCCNC(=O)N[C@@H](C)c1ccccc1O)C(C)C ZINC000868379594 622238766 /nfs/dbraw/zinc/23/87/66/622238766.db2.gz MPBZGICHIRMNEC-HNNXBMFYSA-N 1 0 321.465 3.261 20 10 DGCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000765100776 622246011 /nfs/dbraw/zinc/24/60/11/622246011.db2.gz AGMWPYNEFAGPQD-MRXNPFEDSA-N 1 0 319.493 3.269 20 10 DGCDRO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000765505240 622269051 /nfs/dbraw/zinc/26/90/51/622269051.db2.gz UYCBWRPEFFPFTA-ZDUSSCGKSA-N 1 0 311.420 3.133 20 10 DGCDRO COC[C@@H](CC(C)C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000765638710 622279348 /nfs/dbraw/zinc/27/93/48/622279348.db2.gz NVKGPUDXLKZFEN-QGZVFWFLSA-N 1 0 320.477 3.315 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)[C@@H](O)C(F)(F)F ZINC000765786727 622287469 /nfs/dbraw/zinc/28/74/69/622287469.db2.gz IDPKFSURMDOLFS-HUUCEWRRSA-N 1 0 318.383 3.324 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC3CCSCC3)CC2)cc1 ZINC000765962186 622296578 /nfs/dbraw/zinc/29/65/78/622296578.db2.gz SOWNBPTYXUISHX-UHFFFAOYSA-N 1 0 320.502 3.397 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1O ZINC000766090472 622305209 /nfs/dbraw/zinc/30/52/09/622305209.db2.gz TUOLFRFSGWPTNK-JKSUJKDBSA-N 1 0 307.434 3.473 20 10 DGCDRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000766603058 622341219 /nfs/dbraw/zinc/34/12/19/622341219.db2.gz MDJIYMHIRLLKTJ-XOKHGSTOSA-N 1 0 306.475 3.068 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]3SC)CC2)cc1 ZINC000766600827 622341387 /nfs/dbraw/zinc/34/13/87/622341387.db2.gz GVUSPJLGNWSBLD-IAGOWNOFSA-N 1 0 306.475 3.148 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)c1ccccc1 ZINC000789778214 625565944 /nfs/dbraw/zinc/56/59/44/625565944.db2.gz GNZDGCZSYGOTEJ-ROUUACIJSA-N 1 0 303.377 3.379 20 10 DGCDRO CCOC(=O)CC1([NH2+]Cc2ccc(OCC)cc2O)CCCC1 ZINC000789780013 625566389 /nfs/dbraw/zinc/56/63/89/625566389.db2.gz UNDUXURFAYZURY-UHFFFAOYSA-N 1 0 321.417 3.147 20 10 DGCDRO COCC[NH+](CCOC)Cc1cc(-c2ccccc2)ccc1O ZINC000768143860 622441950 /nfs/dbraw/zinc/44/19/50/622441950.db2.gz ZROZQVZQIQNTHK-UHFFFAOYSA-N 1 0 315.413 3.154 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnc(N)s2)cc1 ZINC000768207970 622445657 /nfs/dbraw/zinc/44/56/57/622445657.db2.gz LCUDWMAVERBJKG-UHFFFAOYSA-N 1 0 304.463 3.204 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000768246618 622447597 /nfs/dbraw/zinc/44/75/97/622447597.db2.gz YULWIIHOJASWKK-NRFANRHFSA-N 1 0 323.484 3.459 20 10 DGCDRO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439051 622456153 /nfs/dbraw/zinc/45/61/53/622456153.db2.gz YVTPZGPBKCAVSP-MRXNPFEDSA-N 1 0 319.788 3.103 20 10 DGCDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000768443050 622456475 /nfs/dbraw/zinc/45/64/75/622456475.db2.gz YBQMOZWONSGMHX-YOEHRIQHSA-N 1 0 324.424 3.145 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCCCC3)CC1)[C@@H](O)CO2 ZINC000768446603 622456955 /nfs/dbraw/zinc/45/69/55/622456955.db2.gz ZDGXWUWDKDFFLR-KRWDZBQOSA-N 1 0 317.429 3.364 20 10 DGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(C)cc2O)C12CCC2 ZINC000768461933 622457419 /nfs/dbraw/zinc/45/74/19/622457419.db2.gz HQVFRXNYLMAXRV-ROUUACIJSA-N 1 0 319.445 3.489 20 10 DGCDRO CC(C)C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC(C)(C)C ZINC000768461784 622457507 /nfs/dbraw/zinc/45/75/07/622457507.db2.gz DOSPEHZXQBGNRG-MRXNPFEDSA-N 1 0 307.434 3.322 20 10 DGCDRO CC(C)CC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768465160 622458058 /nfs/dbraw/zinc/45/80/58/622458058.db2.gz XXBZBZQNKFBGKK-KRWDZBQOSA-N 1 0 305.418 3.076 20 10 DGCDRO COc1cc(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c(O)cc1C ZINC000768464888 622458062 /nfs/dbraw/zinc/45/80/62/622458062.db2.gz BYYIQSBONMXTDO-FUHWJXTLSA-N 1 0 307.434 3.345 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1ccccc1 ZINC000768465606 622458203 /nfs/dbraw/zinc/45/82/03/622458203.db2.gz IVPKJZBORJKJBV-JLBUNGTFSA-N 1 0 311.381 3.011 20 10 DGCDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000768891321 622483543 /nfs/dbraw/zinc/48/35/43/622483543.db2.gz CNFVNOBPKPAMCH-ZDUSSCGKSA-N 1 0 305.805 3.429 20 10 DGCDRO CCOc1ccc(C[N@H+](CC)CCc2ccccn2)c(O)c1 ZINC000769035868 622493894 /nfs/dbraw/zinc/49/38/94/622493894.db2.gz XGRMUGPIJGSYNY-UHFFFAOYSA-N 1 0 300.402 3.251 20 10 DGCDRO Oc1ccc2c(c1)CC[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC000769191600 622507032 /nfs/dbraw/zinc/50/70/32/622507032.db2.gz CDGXXBOFPWCRKR-UHFFFAOYSA-N 1 0 303.789 3.352 20 10 DGCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000769382053 622523144 /nfs/dbraw/zinc/52/31/44/622523144.db2.gz SYTSMGVDMHBYTM-QGZVFWFLSA-N 1 0 301.478 3.203 20 10 DGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769447614 622528596 /nfs/dbraw/zinc/52/85/96/622528596.db2.gz HYJWUQNHMLUSJU-HOCLYGCPSA-N 1 0 306.425 3.283 20 10 DGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769447610 622528855 /nfs/dbraw/zinc/52/88/55/622528855.db2.gz HYJWUQNHMLUSJU-GOEBONIOSA-N 1 0 306.425 3.283 20 10 DGCDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469635 622530767 /nfs/dbraw/zinc/53/07/67/622530767.db2.gz BWQKSDHFBSWOHL-ZBFHGGJFSA-N 1 0 307.457 3.196 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC)cc1F ZINC000769485190 622533027 /nfs/dbraw/zinc/53/30/27/622533027.db2.gz ZGJRCSGHQRRRAY-OAHLLOKOSA-N 1 0 322.424 3.199 20 10 DGCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1c(O)cccc1OC ZINC000769498066 622533876 /nfs/dbraw/zinc/53/38/76/622533876.db2.gz LGUHOFSHYWOMBH-INIZCTEOSA-N 1 0 315.413 3.174 20 10 DGCDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000769516922 622537353 /nfs/dbraw/zinc/53/73/53/622537353.db2.gz UWIKJASKZZIUJY-CQSZACIVSA-N 1 0 308.853 3.209 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000769787703 622559886 /nfs/dbraw/zinc/55/98/86/622559886.db2.gz RQFXAJHOFSMLQI-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000769934686 622578908 /nfs/dbraw/zinc/57/89/08/622578908.db2.gz ULEJYFMBWHQYIA-UHFFFAOYSA-N 1 0 310.397 3.260 20 10 DGCDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC000770504533 622640583 /nfs/dbraw/zinc/64/05/83/622640583.db2.gz IJPPRGIEEZUEDH-ZFWWWQNUSA-N 1 0 320.433 3.270 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1O ZINC000872259932 622870120 /nfs/dbraw/zinc/87/01/20/622870120.db2.gz FCGFJLQKWUVMNP-MRXNPFEDSA-N 1 0 305.418 3.324 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872262263 622871764 /nfs/dbraw/zinc/87/17/64/622871764.db2.gz WILYKMCMGSPVSU-MRXNPFEDSA-N 1 0 305.418 3.324 20 10 DGCDRO Fc1cc(C[NH2+]C2CC3(CCC3)C2)ccc1N1CCOCC1 ZINC000772875298 622949713 /nfs/dbraw/zinc/94/97/13/622949713.db2.gz SWBAQRDAYADQTM-UHFFFAOYSA-N 1 0 304.409 3.085 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c(O)cc1C ZINC000872806123 622983339 /nfs/dbraw/zinc/98/33/39/622983339.db2.gz JTQGYKHGBDUOIN-ZDUSSCGKSA-N 1 0 318.442 3.464 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000872813293 622984300 /nfs/dbraw/zinc/98/43/00/622984300.db2.gz JHCCCNSSOLXVPQ-CYBMUJFWSA-N 1 0 303.324 3.162 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc[nH]1 ZINC000773115860 622986796 /nfs/dbraw/zinc/98/67/96/622986796.db2.gz AITPMOKSFVZDHK-ZIAGYGMSSA-N 1 0 317.408 3.402 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCCn2ccnc2C)cc1C ZINC000873016745 623017771 /nfs/dbraw/zinc/01/77/71/623017771.db2.gz QUSJBFJYFZNDFN-UHFFFAOYSA-N 1 0 301.434 3.469 20 10 DGCDRO CCOc1cccc(F)c1C[NH2+]Cc1cc(OC)ccc1O ZINC000873050771 623025525 /nfs/dbraw/zinc/02/55/25/623025525.db2.gz RYMNVPZTLQSZGP-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1C ZINC000873100430 623035838 /nfs/dbraw/zinc/03/58/38/623035838.db2.gz UCBCFJZJUMRGRC-PKOBYXMFSA-N 1 0 319.445 3.212 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)Cc2cnn(C)c2)cc1C ZINC000873129014 623043174 /nfs/dbraw/zinc/04/31/74/623043174.db2.gz DRDXRWNENOPMFR-OAHLLOKOSA-N 1 0 301.434 3.238 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)cc1Cn1cccn1 ZINC000873131997 623044178 /nfs/dbraw/zinc/04/41/78/623044178.db2.gz CATQGESRXOCBGP-IAGOWNOFSA-N 1 0 317.408 3.310 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)ccc1OC ZINC000873156216 623054911 /nfs/dbraw/zinc/05/49/11/623054911.db2.gz JUHHRADNBHXKJT-VDZJLULYSA-N 1 0 319.445 3.279 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000873179514 623064156 /nfs/dbraw/zinc/06/41/56/623064156.db2.gz KWZFBBRAMRHKLM-MRXNPFEDSA-N 1 0 305.805 3.047 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000773811171 623073985 /nfs/dbraw/zinc/07/39/85/623073985.db2.gz WWOGFCBDMXVSPC-QZTJIDSGSA-N 1 0 302.462 3.391 20 10 DGCDRO Cc1cc(O)c(CN2CCOc3cc(N)ccc3C2)c(Cl)c1 ZINC000873218812 623078071 /nfs/dbraw/zinc/07/80/71/623078071.db2.gz RORIKEURTJYUDN-UHFFFAOYSA-N 1 0 318.804 3.331 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000773857641 623080131 /nfs/dbraw/zinc/08/01/31/623080131.db2.gz LGRNYWRDLQKKOU-UHFFFAOYSA-N 1 0 320.502 3.241 20 10 DGCDRO C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000873235261 623086215 /nfs/dbraw/zinc/08/62/15/623086215.db2.gz MXXLIQPANHCAPB-WFASDCNBSA-N 1 0 320.383 3.281 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000773895010 623086604 /nfs/dbraw/zinc/08/66/04/623086604.db2.gz OZRGTFGIUKHHON-QGZVFWFLSA-N 1 0 312.461 3.256 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000873268827 623098499 /nfs/dbraw/zinc/09/84/99/623098499.db2.gz HVPZSPLCWYOGNR-GHMZBOCLSA-N 1 0 316.367 3.450 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C1CC[NH2+]CC1 ZINC000873268828 623098617 /nfs/dbraw/zinc/09/86/17/623098617.db2.gz HVPZSPLCWYOGNR-MNOVXSKESA-N 1 0 316.367 3.450 20 10 DGCDRO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774480464 623150660 /nfs/dbraw/zinc/15/06/60/623150660.db2.gz CCYIKESFWSLIGM-KGLIPLIRSA-N 1 0 305.466 3.097 20 10 DGCDRO Cc1cc(Br)cc(CN2C[C@H](C)OC[C@@H]2C)c1O ZINC000124542198 623155454 /nfs/dbraw/zinc/15/54/54/623155454.db2.gz NRYGLPVKANIVOX-QWRGUYRKSA-N 1 0 314.223 3.072 20 10 DGCDRO COc1cc(C[N@@H+]2CCOCC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000774660569 623172338 /nfs/dbraw/zinc/17/23/38/623172338.db2.gz ORHDPNRFZNQFJO-ZDUSSCGKSA-N 1 0 307.434 3.309 20 10 DGCDRO COc1c([O-])c(C[N@H+](CCC(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000774837761 623197470 /nfs/dbraw/zinc/19/74/70/623197470.db2.gz RNVHZOXGIBQVSG-UHFFFAOYSA-N 1 0 308.378 3.320 20 10 DGCDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000775129959 623233852 /nfs/dbraw/zinc/23/38/52/623233852.db2.gz JBAIGKQMKFLOMP-GFCCVEGCSA-N 1 0 302.330 3.030 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000775159663 623236863 /nfs/dbraw/zinc/23/68/63/623236863.db2.gz XKVHHZCEIFQEBO-HIFRSBDPSA-N 1 0 320.433 3.046 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1O ZINC000775158127 623236914 /nfs/dbraw/zinc/23/69/14/623236914.db2.gz NROYBYLWLRDJKF-HNNXBMFYSA-N 1 0 324.852 3.161 20 10 DGCDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000775412716 623271688 /nfs/dbraw/zinc/27/16/88/623271688.db2.gz OJMHSYKNWLHQFM-INIZCTEOSA-N 1 0 316.357 3.420 20 10 DGCDRO CC[C@@H]([NH2+]CCCc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000775501859 623281826 /nfs/dbraw/zinc/28/18/26/623281826.db2.gz SQLAYFZEOZCOBL-OAHLLOKOSA-N 1 0 307.825 3.453 20 10 DGCDRO CC[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000775507393 623282150 /nfs/dbraw/zinc/28/21/50/623282150.db2.gz MCIYJUZOTLDZIB-UKRRQHHQSA-N 1 0 313.825 3.282 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)CO[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775512327 623282449 /nfs/dbraw/zinc/28/24/49/623282449.db2.gz JCQFWLNJFVXJMZ-WHOFXGATSA-N 1 0 313.825 3.280 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)COCCOC)c1cc(Cl)ccc1O ZINC000775528377 623284992 /nfs/dbraw/zinc/28/49/92/623284992.db2.gz XSNXIMFZBSTHIQ-FZMZJTMJSA-N 1 0 301.814 3.138 20 10 DGCDRO CC[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(Cl)ccc1O ZINC000775528594 623285149 /nfs/dbraw/zinc/28/51/49/623285149.db2.gz ZXMKVWZNLWGDDI-HNNXBMFYSA-N 1 0 324.852 3.393 20 10 DGCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775541004 623287063 /nfs/dbraw/zinc/28/70/63/623287063.db2.gz RRBIBQNERVHPPE-ZDUSSCGKSA-N 1 0 312.841 3.249 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c1 ZINC000775642720 623300529 /nfs/dbraw/zinc/30/05/29/623300529.db2.gz NEUGZXKZXSAEDU-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO CCc1nn(C)cc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000775652260 623305302 /nfs/dbraw/zinc/30/53/02/623305302.db2.gz WNHZTDBAOGTBOO-UHFFFAOYSA-N 1 0 314.477 3.459 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1O ZINC000775665105 623309005 /nfs/dbraw/zinc/30/90/05/623309005.db2.gz XUENMYJBFBTQPT-MRXNPFEDSA-N 1 0 308.853 3.414 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000775679248 623312827 /nfs/dbraw/zinc/31/28/27/623312827.db2.gz SAODZERKRJDTOB-LJQANCHMSA-N 1 0 313.397 3.364 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1O ZINC000775701647 623315541 /nfs/dbraw/zinc/31/55/41/623315541.db2.gz UYTWVLISWUPBHI-QGZVFWFLSA-N 1 0 317.816 3.446 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775834717 623339425 /nfs/dbraw/zinc/33/94/25/623339425.db2.gz PIDMRCQTIPDWMY-VKJFTORMSA-N 1 0 317.477 3.098 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775835497 623339562 /nfs/dbraw/zinc/33/95/62/623339562.db2.gz ZXGDQJLTMIODPX-OAHLLOKOSA-N 1 0 311.429 3.066 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cc1OC ZINC000776024894 623366320 /nfs/dbraw/zinc/36/63/20/623366320.db2.gz ZLJUZWPLYGTPJE-RISCZKNCSA-N 1 0 317.385 3.416 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)c(OC)c1 ZINC000776112086 623380476 /nfs/dbraw/zinc/38/04/76/623380476.db2.gz DAEDNONIHBMZLW-UHFFFAOYSA-N 1 0 321.804 3.395 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC000776165420 623387444 /nfs/dbraw/zinc/38/74/44/623387444.db2.gz QQQGTHORBUNUHJ-ZWKOTPCHSA-N 1 0 302.462 3.498 20 10 DGCDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000776169796 623388342 /nfs/dbraw/zinc/38/83/42/623388342.db2.gz QBCHSDQEUPMMCO-UHFFFAOYSA-N 1 0 322.748 3.122 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2coc3ccccc23)cc1OC ZINC000776174498 623390168 /nfs/dbraw/zinc/39/01/68/623390168.db2.gz BVRHRRCHZVXDOQ-UHFFFAOYSA-N 1 0 313.353 3.445 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000776176117 623391519 /nfs/dbraw/zinc/39/15/19/623391519.db2.gz ZCZCPVBRNZJPEU-KRWDZBQOSA-N 1 0 303.789 3.449 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCSC2)c1O ZINC000776231025 623400313 /nfs/dbraw/zinc/40/03/13/623400313.db2.gz FOTUDCPHLGFBQQ-GFCCVEGCSA-N 1 0 316.264 3.448 20 10 DGCDRO CCOCc1cc(C[NH2+]C2(CO)CCCCC2)ccc1OC ZINC000776496585 623435167 /nfs/dbraw/zinc/43/51/67/623435167.db2.gz BFNQNJSZOYKKHZ-UHFFFAOYSA-N 1 0 307.434 3.017 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000776496712 623435248 /nfs/dbraw/zinc/43/52/48/623435248.db2.gz KZBGJLVMRHJYEQ-LBPRGKRZSA-N 1 0 311.809 3.211 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H](C4CC4)C3)c2c1 ZINC000776773657 623461614 /nfs/dbraw/zinc/46/16/14/623461614.db2.gz USESXCCVQSYXDP-IBGZPJMESA-N 1 0 313.397 3.165 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c(O)c1 ZINC000777439505 623524703 /nfs/dbraw/zinc/52/47/03/623524703.db2.gz IYBBJJRKXGGHFF-QGZVFWFLSA-N 1 0 305.418 3.182 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1O ZINC000777440477 623525836 /nfs/dbraw/zinc/52/58/36/623525836.db2.gz XKURIJNLYJGKSB-INIZCTEOSA-N 1 0 305.418 3.182 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000777469900 623529418 /nfs/dbraw/zinc/52/94/18/623529418.db2.gz PHYQCCFWWSNBLX-APWZRJJASA-N 1 0 303.494 3.305 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ncc(C(C)(C)C)s2)c1 ZINC000790471982 625657853 /nfs/dbraw/zinc/65/78/53/625657853.db2.gz UMCUFODYFVRJQJ-UHFFFAOYSA-N 1 0 306.431 3.445 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(O)cc1C ZINC000777550179 623540325 /nfs/dbraw/zinc/54/03/25/623540325.db2.gz FXZCPMKEWAZZIQ-INIZCTEOSA-N 1 0 305.418 3.100 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000125757839 623541485 /nfs/dbraw/zinc/54/14/85/623541485.db2.gz HJKMTVUVNITIID-OCCSQVGLSA-N 1 0 315.383 3.040 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c1 ZINC000790498155 625661340 /nfs/dbraw/zinc/66/13/40/625661340.db2.gz PGSJJEJPWVSLEZ-SUMWQHHRSA-N 1 0 306.450 3.172 20 10 DGCDRO CC[C@@H]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506902 623630082 /nfs/dbraw/zinc/63/00/82/623630082.db2.gz QHHOEUKIHYBZOQ-OLMNPRSZSA-N 1 0 317.477 3.085 20 10 DGCDRO Cc1cccc(NC(=O)C[N@@H+](C)Cc2c(C)cccc2O)c1C ZINC000876538779 623637292 /nfs/dbraw/zinc/63/72/92/623637292.db2.gz NWYVPWPSNMPRMO-UHFFFAOYSA-N 1 0 312.413 3.388 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000876552927 623641325 /nfs/dbraw/zinc/64/13/25/623641325.db2.gz CZIMNNQTWWKYJR-OAHLLOKOSA-N 1 0 322.412 3.123 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(OC)cnc1F ZINC000876654753 623671211 /nfs/dbraw/zinc/67/12/11/623671211.db2.gz OGFSIQLUMUQGBY-UHFFFAOYSA-N 1 0 304.365 3.347 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C3CCC3)cc2)CC1 ZINC000876659626 623672965 /nfs/dbraw/zinc/67/29/65/623672965.db2.gz CHDQSPZLGUSUBY-HXUWFJFHSA-N 1 0 314.473 3.412 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(OC)cc1OC ZINC000778995499 623717664 /nfs/dbraw/zinc/71/76/64/623717664.db2.gz ASPSIDOLFGHLFM-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO CC[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1COc2ccccc2O1 ZINC000778994925 623718582 /nfs/dbraw/zinc/71/85/82/623718582.db2.gz LIVORIBPCLJMIE-OAHLLOKOSA-N 1 0 317.360 3.193 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000778999837 623719138 /nfs/dbraw/zinc/71/91/38/623719138.db2.gz MENUBMOKMUWREH-UHFFFAOYSA-N 1 0 305.381 3.136 20 10 DGCDRO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1O ZINC000779007965 623720152 /nfs/dbraw/zinc/72/01/52/623720152.db2.gz OQXWENHOKQRKCJ-QGZVFWFLSA-N 1 0 310.441 3.489 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCSCC1 ZINC000779014157 623720221 /nfs/dbraw/zinc/72/02/21/623720221.db2.gz WAXNADMQUBUEAT-HNNXBMFYSA-N 1 0 320.502 3.145 20 10 DGCDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000779008903 623720615 /nfs/dbraw/zinc/72/06/15/623720615.db2.gz DMJDBDYRECNZKW-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000779022905 623722128 /nfs/dbraw/zinc/72/21/28/623722128.db2.gz KXNLGJACEULDON-GOSISDBHSA-N 1 0 314.404 3.238 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc2ccccc2c1O ZINC000779061702 623725881 /nfs/dbraw/zinc/72/58/81/623725881.db2.gz MKQKFBRFEWURGK-HIFRSBDPSA-N 1 0 307.397 3.408 20 10 DGCDRO Cc1cccc(O)c1CNc1cccc(OCC[NH+](C)C)c1 ZINC000876844262 623725972 /nfs/dbraw/zinc/72/59/72/623725972.db2.gz XUBAICWTVSEIGI-UHFFFAOYSA-N 1 0 300.402 3.253 20 10 DGCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)c(Cl)cc1O ZINC000876906191 623740899 /nfs/dbraw/zinc/74/08/99/623740899.db2.gz SNSDYKAMNIMMKK-UHFFFAOYSA-N 1 0 320.820 3.410 20 10 DGCDRO COCCOc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000876928576 623747045 /nfs/dbraw/zinc/74/70/45/623747045.db2.gz JNEPPIQAQXGIMB-UHFFFAOYSA-N 1 0 301.386 3.016 20 10 DGCDRO CC[C@@](C)(C[NH2+]Cc1ccc(N2CCSCC2)cc1)OC ZINC000876944078 623750963 /nfs/dbraw/zinc/75/09/63/623750963.db2.gz XRKSZHJNIBMESK-KRWDZBQOSA-N 1 0 308.491 3.145 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c(O)c1 ZINC000876983958 623759650 /nfs/dbraw/zinc/75/96/50/623759650.db2.gz BAZHOMFSWXQLLH-KRWDZBQOSA-N 1 0 312.413 3.010 20 10 DGCDRO CCN(CC)[C@H](C[NH2+]Cc1c(C)cccc1O)c1ccco1 ZINC000876988286 623760728 /nfs/dbraw/zinc/76/07/28/623760728.db2.gz BEDHUAYKUGCFHW-MRXNPFEDSA-N 1 0 302.418 3.466 20 10 DGCDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(Cl)cc1O ZINC000876996159 623762931 /nfs/dbraw/zinc/76/29/31/623762931.db2.gz NSYKVMXQHRWZQJ-UHFFFAOYSA-N 1 0 319.788 3.279 20 10 DGCDRO COc1ccc(COCCC[NH2+]Cc2c(C)cccc2O)cc1 ZINC000877005198 623764524 /nfs/dbraw/zinc/76/45/24/623764524.db2.gz PBEKUMRDEAHMKJ-UHFFFAOYSA-N 1 0 315.413 3.406 20 10 DGCDRO COc1ccc(COCCC[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877005284 623764622 /nfs/dbraw/zinc/76/46/22/623764622.db2.gz QUNYDVJKFKEIDE-UHFFFAOYSA-N 1 0 315.413 3.406 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000877008192 623764979 /nfs/dbraw/zinc/76/49/79/623764979.db2.gz HCVOQEKVHLTENU-UHFFFAOYSA-N 1 0 324.424 3.160 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000779431906 623769458 /nfs/dbraw/zinc/76/94/58/623769458.db2.gz HSINHZKJUAZGPX-BBRMVZONSA-N 1 0 311.809 3.257 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000877058017 623778750 /nfs/dbraw/zinc/77/87/50/623778750.db2.gz SKBPPCCSMWSFHJ-UHFFFAOYSA-N 1 0 302.321 3.466 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000877131359 623799452 /nfs/dbraw/zinc/79/94/52/623799452.db2.gz YKAJIXZEQDZFMH-UGSOOPFHSA-N 1 0 303.377 3.442 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000790617578 625678879 /nfs/dbraw/zinc/67/88/79/625678879.db2.gz AFEQNMGWEDRIGD-UHFFFAOYSA-N 1 0 301.777 3.254 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000877377722 623862616 /nfs/dbraw/zinc/86/26/16/623862616.db2.gz WJFHWDJPPUGUHU-HNNXBMFYSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1ccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)c1 ZINC000877389575 623866563 /nfs/dbraw/zinc/86/65/63/623866563.db2.gz DLPHIMPSLWNSDX-OAHLLOKOSA-N 1 0 317.351 3.226 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000877420580 623875488 /nfs/dbraw/zinc/87/54/88/623875488.db2.gz XRBDTCWSGUBSLD-UHFFFAOYSA-N 1 0 301.308 3.044 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000877460264 623892815 /nfs/dbraw/zinc/89/28/15/623892815.db2.gz RZOICYULMLINGS-WFASDCNBSA-N 1 0 317.351 3.274 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877460746 623893398 /nfs/dbraw/zinc/89/33/98/623893398.db2.gz UKQQVOHCBRQPHU-AWEZNQCLSA-N 1 0 303.324 3.244 20 10 DGCDRO CCCN(Cc1cnc(CCOC)s1)c1ccc(C[NH3+])cc1 ZINC000877478283 623901828 /nfs/dbraw/zinc/90/18/28/623901828.db2.gz MQHRLYWYVUSVBG-UHFFFAOYSA-N 1 0 319.474 3.207 20 10 DGCDRO Cc1noc(C[C@H]([NH2+]Cc2ccc(C)cc2O)c2ccccc2)n1 ZINC000877478815 623901879 /nfs/dbraw/zinc/90/18/79/623901879.db2.gz QDVXFGWNUNNGIY-KRWDZBQOSA-N 1 0 323.396 3.466 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3cccnc3CC2)c1 ZINC000877533483 623929169 /nfs/dbraw/zinc/92/91/69/623929169.db2.gz PAFJSEXEQPFUCI-HIFRSBDPSA-N 1 0 312.413 3.394 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000877557917 623940477 /nfs/dbraw/zinc/94/04/77/623940477.db2.gz YZDNYORRPQMIEA-AWEZNQCLSA-N 1 0 322.449 3.484 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3nc(Cl)cs3)C2)cc1 ZINC000877620686 623966330 /nfs/dbraw/zinc/96/63/30/623966330.db2.gz KZELNXKOGAYBSW-NSHDSACASA-N 1 0 323.849 3.174 20 10 DGCDRO C[C@]1(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1(F)F ZINC000877630268 623969636 /nfs/dbraw/zinc/96/96/36/623969636.db2.gz GGSRIAIZEHZOFW-KRWDZBQOSA-N 1 0 324.415 3.173 20 10 DGCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)c(Cl)cc1O ZINC000877652949 623978910 /nfs/dbraw/zinc/97/89/10/623978910.db2.gz RGXIATYELBWOMR-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO CCn1nc(C)c(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])c1C ZINC000877664026 623983329 /nfs/dbraw/zinc/98/33/29/623983329.db2.gz KMUHMCUMKQIDRX-UHFFFAOYSA-N 1 0 309.360 3.136 20 10 DGCDRO COc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000877754685 624020670 /nfs/dbraw/zinc/02/06/70/624020670.db2.gz PJYUFUFVMDXCFG-SFHVURJKSA-N 1 0 313.397 3.283 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C[C@H]1C ZINC000877755515 624021744 /nfs/dbraw/zinc/02/17/44/624021744.db2.gz CZOWFVNGMCHQJQ-KBUPBQIOSA-N 1 0 305.418 3.411 20 10 DGCDRO C[C@H]([NH2+]CCC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000877758241 624024168 /nfs/dbraw/zinc/02/41/68/624024168.db2.gz OPCZSTJADKRYKV-ZDUSSCGKSA-N 1 0 320.433 3.300 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000877820898 624051781 /nfs/dbraw/zinc/05/17/81/624051781.db2.gz KAYVMGMYPOGBIH-HNNXBMFYSA-N 1 0 316.367 3.214 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000877823614 624056168 /nfs/dbraw/zinc/05/61/68/624056168.db2.gz XLPYIQITJYACPJ-RISCZKNCSA-N 1 0 317.351 3.496 20 10 DGCDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000877831545 624061899 /nfs/dbraw/zinc/06/18/99/624061899.db2.gz YUFRAMPEACSDLI-CYBMUJFWSA-N 1 0 313.397 3.176 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1F ZINC000781533027 624088580 /nfs/dbraw/zinc/08/85/80/624088580.db2.gz WTVWDMCDXDYAHY-LBPRGKRZSA-N 1 0 302.340 3.095 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[N@@H+](C[C@H](C)O)C(C)C)c1 ZINC000781912767 624170915 /nfs/dbraw/zinc/17/09/15/624170915.db2.gz QLLXQKWLYWGXAZ-NSHDSACASA-N 1 0 316.239 3.054 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CC1(O)CCCCC1 ZINC000878152798 624192241 /nfs/dbraw/zinc/19/22/41/624192241.db2.gz YQNNRPZGDSPSDD-QGZVFWFLSA-N 1 0 321.461 3.050 20 10 DGCDRO C[C@@H]1OCC[C@@H]1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000878240776 624224144 /nfs/dbraw/zinc/22/41/44/624224144.db2.gz KUELRRIMHBBOSV-LSDHHAIUSA-N 1 0 301.386 3.412 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccccc1O ZINC000878362502 624256827 /nfs/dbraw/zinc/25/68/27/624256827.db2.gz BDQDOQCABBQYKO-GDBMZVCRSA-N 1 0 305.418 3.161 20 10 DGCDRO CCOCOc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000783425564 624348463 /nfs/dbraw/zinc/34/84/63/624348463.db2.gz UMVLAHYPSGAEPV-UHFFFAOYSA-N 1 0 301.386 3.397 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1F ZINC000783596718 624373452 /nfs/dbraw/zinc/37/34/52/624373452.db2.gz FYLZABPJQJLYCC-KRWDZBQOSA-N 1 0 313.420 3.351 20 10 DGCDRO Cc1ccc(C[N@H+](CCO)Cc2c(O)cccc2Cl)cc1 ZINC000783603663 624374039 /nfs/dbraw/zinc/37/40/39/624374039.db2.gz VHFJSUTXKRHMHD-UHFFFAOYSA-N 1 0 305.805 3.349 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000783717095 624387146 /nfs/dbraw/zinc/38/71/46/624387146.db2.gz HWSJIEVPCZGXIW-ZDUSSCGKSA-N 1 0 307.287 3.075 20 10 DGCDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000783718771 624387549 /nfs/dbraw/zinc/38/75/49/624387549.db2.gz RTXWOYFLAGYZTM-CQSZACIVSA-N 1 0 303.324 3.244 20 10 DGCDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(OC)c1O)C2 ZINC000784625088 624560311 /nfs/dbraw/zinc/56/03/11/624560311.db2.gz VFYVLJLVYBELGE-INIZCTEOSA-N 1 0 313.397 3.057 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000784624766 624560472 /nfs/dbraw/zinc/56/04/72/624560472.db2.gz HGWBSUZHDBCKJT-OAHLLOKOSA-N 1 0 320.408 3.222 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1ccccc1O ZINC000879647525 624620977 /nfs/dbraw/zinc/62/09/77/624620977.db2.gz COUGPMPODFGINX-HUUCEWRRSA-N 1 0 324.424 3.411 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000879648512 624621278 /nfs/dbraw/zinc/62/12/78/624621278.db2.gz RRZVNLWXYBDNPS-IIAWOOMASA-N 1 0 304.434 3.080 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1O ZINC000879649307 624622746 /nfs/dbraw/zinc/62/27/46/624622746.db2.gz NADNOHKUZIYUHJ-HIFRSBDPSA-N 1 0 304.434 3.080 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1O ZINC000879650582 624624591 /nfs/dbraw/zinc/62/45/91/624624591.db2.gz IFGVGXHQCLTLMR-LSDHHAIUSA-N 1 0 318.461 3.328 20 10 DGCDRO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2O)c(C)c1 ZINC000879651627 624624620 /nfs/dbraw/zinc/62/46/20/624624620.db2.gz DUUWXICOPVIGRU-JKSUJKDBSA-N 1 0 315.413 3.100 20 10 DGCDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879651240 624624630 /nfs/dbraw/zinc/62/46/30/624624630.db2.gz OHSDMICYIQWESK-ZDUSSCGKSA-N 1 0 314.385 3.080 20 10 DGCDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC000879651774 624624808 /nfs/dbraw/zinc/62/48/08/624624808.db2.gz KGBLEZVXVGOMHO-LBPRGKRZSA-N 1 0 302.330 3.030 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC1(C)C ZINC000785437857 624666262 /nfs/dbraw/zinc/66/62/62/624666262.db2.gz ZWLIFBKKEIKCDT-DNVCBOLYSA-N 1 0 316.489 3.420 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000785549597 624685676 /nfs/dbraw/zinc/68/56/76/624685676.db2.gz AXPJUYCFKWPCDV-AWEZNQCLSA-N 1 0 303.333 3.153 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000785767088 624730268 /nfs/dbraw/zinc/73/02/68/624730268.db2.gz JOKMJARBMNSTTI-QZTJIDSGSA-N 1 0 302.462 3.391 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1O ZINC000785990242 624774940 /nfs/dbraw/zinc/77/49/40/624774940.db2.gz ZXSUXVHEJCUVAE-MJVIPROJSA-N 1 0 313.825 3.036 20 10 DGCDRO CCOC(CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)OCC ZINC000786971687 624968650 /nfs/dbraw/zinc/96/86/50/624968650.db2.gz XRUYYUXVAWTDDA-AAEUAGOBSA-N 1 0 311.397 3.458 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)c1O ZINC000788538478 625210231 /nfs/dbraw/zinc/21/02/31/625210231.db2.gz MYRRTXIDIXTQMI-PKOBYXMFSA-N 1 0 315.413 3.249 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccn(CC)c1=O)c1ccc(N(C)C)cc1 ZINC000788607112 625226667 /nfs/dbraw/zinc/22/66/67/625226667.db2.gz IACOAWKLOSCQOX-GOSISDBHSA-N 1 0 313.445 3.175 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)c(O)c1 ZINC000788607691 625227469 /nfs/dbraw/zinc/22/74/69/625227469.db2.gz CBSJVBWETBVAMK-GFCCVEGCSA-N 1 0 305.447 3.382 20 10 DGCDRO CCN(C)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000790964848 625725014 /nfs/dbraw/zinc/72/50/14/625725014.db2.gz OJJDZKLPCSIGCW-UHFFFAOYSA-N 1 0 312.461 3.202 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000130300884 625836014 /nfs/dbraw/zinc/83/60/14/625836014.db2.gz DZHFXBIRSAGOKP-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000883104862 625928459 /nfs/dbraw/zinc/92/84/59/625928459.db2.gz OWKUPDJCRSGLJJ-UHFFFAOYSA-N 1 0 304.340 3.234 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883175590 625955441 /nfs/dbraw/zinc/95/54/41/625955441.db2.gz KIYGHKBLXWBTLA-QGZVFWFLSA-N 1 0 300.446 3.336 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)N(C)C ZINC000796285451 626035339 /nfs/dbraw/zinc/03/53/39/626035339.db2.gz RUJFFOXTTQLFBL-QGZVFWFLSA-N 1 0 323.484 3.289 20 10 DGCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000796306934 626036976 /nfs/dbraw/zinc/03/69/76/626036976.db2.gz GLJVCLDNABPHFF-HXUWFJFHSA-N 1 0 322.452 3.110 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000796306961 626037188 /nfs/dbraw/zinc/03/71/88/626037188.db2.gz ZHWFGWSNEWZVFP-NRFANRHFSA-N 1 0 322.452 3.110 20 10 DGCDRO CC(C)(O)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796351815 626041312 /nfs/dbraw/zinc/04/13/12/626041312.db2.gz HXAQUNDVQMGCAE-UHFFFAOYSA-N 1 0 324.468 3.500 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000796447913 626050894 /nfs/dbraw/zinc/05/08/94/626050894.db2.gz BDEVFLSSNJFOFD-LJQANCHMSA-N 1 0 316.420 3.277 20 10 DGCDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000796480080 626054804 /nfs/dbraw/zinc/05/48/04/626054804.db2.gz CAUCIFYFDBPWRW-IFXJQAMLSA-N 1 0 316.420 3.412 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)c(O)c1 ZINC000796527664 626059365 /nfs/dbraw/zinc/05/93/65/626059365.db2.gz WPYOKEWNVXCAAH-JTQLQIEISA-N 1 0 308.328 3.315 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]C3CCC(O)CC3)cc2)CC1 ZINC000796766036 626080691 /nfs/dbraw/zinc/08/06/91/626080691.db2.gz XQGJMDBHMJPLCN-UHFFFAOYSA-N 1 0 302.462 3.316 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000798491536 626220366 /nfs/dbraw/zinc/22/03/66/626220366.db2.gz AORPQRUTOFJVSI-FGTMMUONSA-N 1 0 302.462 3.438 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000798493822 626220915 /nfs/dbraw/zinc/22/09/15/626220915.db2.gz TXWPSLWCGZUWSP-OFQRWUPVSA-N 1 0 305.418 3.086 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H](CO)CC2CCCC2)c(O)c1 ZINC000798503028 626221724 /nfs/dbraw/zinc/22/17/24/626221724.db2.gz BGRCJZRZKWOHDK-HNNXBMFYSA-N 1 0 307.434 3.069 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)CC2CCCC2)cc1F ZINC000798503262 626222178 /nfs/dbraw/zinc/22/21/78/626222178.db2.gz FFLDEAFZFZZZKS-INIZCTEOSA-N 1 0 308.441 3.170 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)CC2CCCC2)cc1F ZINC000798503263 626222229 /nfs/dbraw/zinc/22/22/29/626222229.db2.gz FFLDEAFZFZZZKS-MRXNPFEDSA-N 1 0 308.441 3.170 20 10 DGCDRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1c(O)cccc1Cl ZINC000799351029 626294709 /nfs/dbraw/zinc/29/47/09/626294709.db2.gz ZVIQMPQFLZIVHO-CQSZACIVSA-N 1 0 305.805 3.129 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@H+](CC)[C@H]2CCNC2=O)cc1 ZINC000799737896 626326489 /nfs/dbraw/zinc/32/64/89/626326489.db2.gz QBSWSLHNWREMKC-SFHVURJKSA-N 1 0 317.477 3.023 20 10 DGCDRO C[C@H](CCO)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800493772 626364770 /nfs/dbraw/zinc/36/47/70/626364770.db2.gz QHKOPPKWJMSAJJ-ZIAGYGMSSA-N 1 0 310.869 3.437 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)c1O ZINC000808706796 626372866 /nfs/dbraw/zinc/37/28/66/626372866.db2.gz VCDXELMWIKGAAT-FDMGOTLNSA-N 1 0 303.855 3.162 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1O ZINC000800890605 626383280 /nfs/dbraw/zinc/38/32/80/626383280.db2.gz WYNNMWLKIVFHPT-MRXNPFEDSA-N 1 0 313.397 3.274 20 10 DGCDRO CCCC[N@H+](CCCN1CCCC1=O)Cc1ccccc1O ZINC000801595583 626411324 /nfs/dbraw/zinc/41/13/24/626411324.db2.gz OTVKYQITQBHWQL-UHFFFAOYSA-N 1 0 304.434 3.007 20 10 DGCDRO CCCC[N@H+](Cc1ccc2c(c1)nnn2C)Cc1ccccc1O ZINC000801597012 626411612 /nfs/dbraw/zinc/41/16/12/626411612.db2.gz XNQOUXNFOCYBTJ-UHFFFAOYSA-N 1 0 324.428 3.476 20 10 DGCDRO CCCC[N@H+](CCOC[C@H]1CCCO1)Cc1ccccc1O ZINC000801597163 626411952 /nfs/dbraw/zinc/41/19/52/626411952.db2.gz CPXQGINCDJHJMJ-QGZVFWFLSA-N 1 0 307.434 3.190 20 10 DGCDRO C[C@@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)OCCc2ccccc21 ZINC000883341692 626654019 /nfs/dbraw/zinc/65/40/19/626654019.db2.gz XRMBXODZHOHENJ-XLIONFOSSA-N 1 0 309.409 3.457 20 10 DGCDRO Oc1cccc(Cl)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000131640773 626661799 /nfs/dbraw/zinc/66/17/99/626661799.db2.gz CFAVWOXLDUIOHG-UHFFFAOYSA-N 1 0 302.805 3.368 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1ccc2ccccc2c1O ZINC000883395649 626672074 /nfs/dbraw/zinc/67/20/74/626672074.db2.gz YVHRHRFTQPVWFD-CZUORRHYSA-N 1 0 324.424 3.207 20 10 DGCDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000806169799 626704165 /nfs/dbraw/zinc/70/41/65/626704165.db2.gz RDXQIXHPSAMCQN-WDEREUQCSA-N 1 0 316.239 3.070 20 10 DGCDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000806169823 626704265 /nfs/dbraw/zinc/70/42/65/626704265.db2.gz RIJBKTBYGAJJID-WDEREUQCSA-N 1 0 316.239 3.070 20 10 DGCDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000806169798 626704350 /nfs/dbraw/zinc/70/43/50/626704350.db2.gz RDXQIXHPSAMCQN-QWRGUYRKSA-N 1 0 316.239 3.070 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1O ZINC000806180531 626704770 /nfs/dbraw/zinc/70/47/70/626704770.db2.gz OXVOEXWHIPLADR-GXTWGEPZSA-N 1 0 305.805 3.472 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000840113630 626767596 /nfs/dbraw/zinc/76/75/96/626767596.db2.gz FRTHIOFOSXFAQI-GVDBMIGSSA-N 1 0 319.445 3.225 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC3(C1)Oc1ccccc1O3)CCC2 ZINC000808239414 626807763 /nfs/dbraw/zinc/80/77/63/626807763.db2.gz VXTZSXJDFIZJBJ-UHFFFAOYSA-N 1 0 323.392 3.254 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)c(O)c1 ZINC000808452927 626826575 /nfs/dbraw/zinc/82/65/75/626826575.db2.gz VBVFYYZHWMNMQW-OAHLLOKOSA-N 1 0 317.360 3.023 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1O ZINC000808695533 626850546 /nfs/dbraw/zinc/85/05/46/626850546.db2.gz OANOFMCZKVWLBA-QWHCGFSZSA-N 1 0 313.825 3.058 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)NC2CCCC2)c1O ZINC000808705799 626851585 /nfs/dbraw/zinc/85/15/85/626851585.db2.gz SGDIMIPNCAKWAV-NSHDSACASA-N 1 0 310.825 3.063 20 10 DGCDRO COC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CCOCC1 ZINC000808708387 626851740 /nfs/dbraw/zinc/85/17/40/626851740.db2.gz LPFNKOJORLKNQZ-GFCCVEGCSA-N 1 0 313.825 3.200 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000808706219 626851921 /nfs/dbraw/zinc/85/19/21/626851921.db2.gz FFOKXCRKBLQJTC-WCQYABFASA-N 1 0 324.852 3.404 20 10 DGCDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808712018 626852417 /nfs/dbraw/zinc/85/24/17/626852417.db2.gz YYHPTVFVDNUIRR-LLVKDONJSA-N 1 0 312.841 3.167 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000808717584 626853202 /nfs/dbraw/zinc/85/32/02/626853202.db2.gz FECJVWUWQPOBJE-NEPJUHHUSA-N 1 0 310.825 3.016 20 10 DGCDRO CC(C)(C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840148812 626868624 /nfs/dbraw/zinc/86/86/24/626868624.db2.gz ANTOCHDWFMQVFW-MLGOLLRUSA-N 1 0 305.418 3.076 20 10 DGCDRO CCC1([NH+]2CCC2)CCN(Cc2cc(OC)c(C)cc2O)CC1 ZINC000884474904 626886321 /nfs/dbraw/zinc/88/63/21/626886321.db2.gz PWGPIHFJMFJZIF-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000884482807 626887713 /nfs/dbraw/zinc/88/77/13/626887713.db2.gz ICQCLRLLALRBJH-SUMWQHHRSA-N 1 0 319.445 3.396 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4C[C@H]3CS4)c2c1 ZINC000840169072 626903193 /nfs/dbraw/zinc/90/31/93/626903193.db2.gz RCWUSYCQHHBZGC-JSGCOSHPSA-N 1 0 301.411 3.244 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2c(C)cnn2C)cc1 ZINC000809541548 626917752 /nfs/dbraw/zinc/91/77/52/626917752.db2.gz UKMNPUCNGLKNPG-UHFFFAOYSA-N 1 0 300.450 3.207 20 10 DGCDRO C[C@@H](O)C[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639104 626931046 /nfs/dbraw/zinc/93/10/46/626931046.db2.gz HCGIRMVFSRBONF-MRXNPFEDSA-N 1 0 310.441 3.062 20 10 DGCDRO c1cncc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000809728553 626942518 /nfs/dbraw/zinc/94/25/18/626942518.db2.gz BCAMSVWGQIIQTM-HXUWFJFHSA-N 1 0 323.440 3.255 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758535 626948100 /nfs/dbraw/zinc/94/81/00/626948100.db2.gz PJIYNRGKYJAHJC-CABCVRRESA-N 1 0 305.418 3.039 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758536 626948391 /nfs/dbraw/zinc/94/83/91/626948391.db2.gz PJIYNRGKYJAHJC-GJZGRUSLSA-N 1 0 305.418 3.039 20 10 DGCDRO c1ccc(C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)nc1 ZINC000809764141 626949016 /nfs/dbraw/zinc/94/90/16/626949016.db2.gz SXIIFVCMGIOJND-UHFFFAOYSA-N 1 0 323.440 3.083 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1F ZINC000809766500 626949402 /nfs/dbraw/zinc/94/94/02/626949402.db2.gz ZHYCBLLMVJZXTL-CRAIPNDOSA-N 1 0 321.484 3.444 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2ccccc2N(C)C)c1O ZINC000809787368 626952941 /nfs/dbraw/zinc/95/29/41/626952941.db2.gz AMPMGRUTMNJRGU-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000810170326 626983829 /nfs/dbraw/zinc/98/38/29/626983829.db2.gz IQEGDNANKHMLDL-KRWDZBQOSA-N 1 0 319.426 3.040 20 10 DGCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1c(O)cccc1Cl)C2 ZINC000810178378 626985114 /nfs/dbraw/zinc/98/51/14/626985114.db2.gz OAXGVWBGYZHQGQ-CYBMUJFWSA-N 1 0 303.789 3.447 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccnn1C)c1ccc(C(F)(F)F)cc1O ZINC000810208757 626988113 /nfs/dbraw/zinc/98/81/13/626988113.db2.gz FPBDIWIQIUYZHG-CYBMUJFWSA-N 1 0 313.323 3.385 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810216343 626988644 /nfs/dbraw/zinc/98/86/44/626988644.db2.gz SZLQRDYUETZFQD-MFKMUULPSA-N 1 0 304.356 3.402 20 10 DGCDRO CC[C@H]([NH2+]CC[S@@](=O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810218179 626988868 /nfs/dbraw/zinc/98/88/68/626988868.db2.gz PEWLDCLXCJBGIF-QKVFXAPYSA-N 1 0 323.380 3.220 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](C)CCO)c1ccc(C(F)(F)F)cc1O ZINC000810220905 626989282 /nfs/dbraw/zinc/98/92/82/626989282.db2.gz GTBKOPDSTQEWLE-GWCFXTLKSA-N 1 0 305.340 3.470 20 10 DGCDRO CC[C@@H]([NH2+]CC1(O)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810219052 626989528 /nfs/dbraw/zinc/98/95/28/626989528.db2.gz ZGSFXZGQOPLKNT-GFCCVEGCSA-N 1 0 303.324 3.367 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810219975 626989620 /nfs/dbraw/zinc/98/96/20/626989620.db2.gz YYVMCDOHWBJIAN-TZMCWYRMSA-N 1 0 305.340 3.469 20 10 DGCDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000810257734 626993825 /nfs/dbraw/zinc/99/38/25/626993825.db2.gz UYDTWHWVKAAAID-AAEUAGOBSA-N 1 0 301.814 3.056 20 10 DGCDRO Cc1coc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000885943719 627065982 /nfs/dbraw/zinc/06/59/82/627065982.db2.gz AQKWLVAIMQYBRD-HNNXBMFYSA-N 1 0 300.402 3.275 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](COC)[C@H]2CCCOC2)cc1C ZINC000886355635 627141885 /nfs/dbraw/zinc/14/18/85/627141885.db2.gz LFNWIZYZGVCXGB-ROUUACIJSA-N 1 0 321.461 3.315 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000886529232 627157867 /nfs/dbraw/zinc/15/78/67/627157867.db2.gz ZHVRCPNMOQNTSR-SFHVURJKSA-N 1 0 300.450 3.281 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2F)c1 ZINC000886674094 627186535 /nfs/dbraw/zinc/18/65/35/627186535.db2.gz GNZIGYJWMAKPGT-HIFRSBDPSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c(O)c1 ZINC000886764024 627201622 /nfs/dbraw/zinc/20/16/22/627201622.db2.gz JOROCWXJUIAOMU-LDDOYCOJSA-N 1 0 305.418 3.078 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c(O)c1 ZINC000886764025 627201650 /nfs/dbraw/zinc/20/16/50/627201650.db2.gz JOROCWXJUIAOMU-LLDVTBCESA-N 1 0 305.418 3.078 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccnc(Cl)c2Cl)c(O)c1 ZINC000811498835 627281941 /nfs/dbraw/zinc/28/19/41/627281941.db2.gz DYKRKMUFWZUOOM-UHFFFAOYSA-N 1 0 313.184 3.392 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccnc(Cl)c2Cl)c1O ZINC000811506881 627283723 /nfs/dbraw/zinc/28/37/23/627283723.db2.gz IQHKKAIQXAUXQS-UHFFFAOYSA-N 1 0 313.184 3.392 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1F ZINC000811510700 627285226 /nfs/dbraw/zinc/28/52/26/627285226.db2.gz NDUZHVXQCAPQFU-SJORKVTESA-N 1 0 306.425 3.281 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)OC ZINC000811518356 627286481 /nfs/dbraw/zinc/28/64/81/627286481.db2.gz LLXOFVRPRPWRPP-KRWDZBQOSA-N 1 0 315.413 3.486 20 10 DGCDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000811516622 627286545 /nfs/dbraw/zinc/28/65/45/627286545.db2.gz YLBKAYHZKIFZON-HNNXBMFYSA-N 1 0 318.383 3.268 20 10 DGCDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000811516623 627286618 /nfs/dbraw/zinc/28/66/18/627286618.db2.gz YLBKAYHZKIFZON-OAHLLOKOSA-N 1 0 318.383 3.268 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)CCC2 ZINC000811791953 627322835 /nfs/dbraw/zinc/32/28/35/627322835.db2.gz KOKILQUODSREPC-OALUTQOASA-N 1 0 313.441 3.414 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c(O)c1C ZINC000812736537 627414120 /nfs/dbraw/zinc/41/41/20/627414120.db2.gz GYYILFGGZCJJFW-AWEZNQCLSA-N 1 0 313.445 3.472 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000812780802 627419639 /nfs/dbraw/zinc/41/96/39/627419639.db2.gz SWXFGGVUDOEXEQ-AWEZNQCLSA-N 1 0 316.367 3.382 20 10 DGCDRO COCCC1([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000812844841 627428139 /nfs/dbraw/zinc/42/81/39/627428139.db2.gz LGKZOPDDVRDHOV-UHFFFAOYSA-N 1 0 318.461 3.213 20 10 DGCDRO COCC(C)(C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000813882883 627519006 /nfs/dbraw/zinc/51/90/06/627519006.db2.gz NRLVHCOCWADBSG-SNVBAGLBSA-N 1 0 316.239 3.478 20 10 DGCDRO Cc1cc(CN2CC[NH+](C3CCCC3)CC2)ccc1N(C)C ZINC000815015029 627617011 /nfs/dbraw/zinc/61/70/11/627617011.db2.gz FPQJDQZGGXDOPR-UHFFFAOYSA-N 1 0 301.478 3.121 20 10 DGCDRO CCN(C)c1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000815118156 627629064 /nfs/dbraw/zinc/62/90/64/627629064.db2.gz LALUBYPZQTYZKZ-APWZRJJASA-N 1 0 301.478 3.201 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000815118519 627630256 /nfs/dbraw/zinc/63/02/56/627630256.db2.gz ILMWBGCWJJGAEB-OAQYLSRUSA-N 1 0 324.468 3.279 20 10 DGCDRO Cc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815119744 627630262 /nfs/dbraw/zinc/63/02/62/627630262.db2.gz GHQOGZRTALGZEF-QZTJIDSGSA-N 1 0 302.462 3.450 20 10 DGCDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000815122876 627631643 /nfs/dbraw/zinc/63/16/43/627631643.db2.gz QJTQQQWGJWMRSR-HOCLYGCPSA-N 1 0 305.418 3.384 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000815122432 627631854 /nfs/dbraw/zinc/63/18/54/627631854.db2.gz VPIZMQDPXWGDCV-FQEVSTJZSA-N 1 0 312.457 3.178 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H](CO)C2CCCCC2)c(O)c1 ZINC000815150784 627638109 /nfs/dbraw/zinc/63/81/09/627638109.db2.gz OKYCLVPDJNEJGM-MRXNPFEDSA-N 1 0 307.434 3.069 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000815151925 627638158 /nfs/dbraw/zinc/63/81/58/627638158.db2.gz DUHWDILLOGINKK-UHFFFAOYSA-N 1 0 311.303 3.498 20 10 DGCDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924762311 627677489 /nfs/dbraw/zinc/67/74/89/627677489.db2.gz ZNBPQFNCPVAQKV-ZIAGYGMSSA-N 1 0 320.452 3.311 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@]3(C)CCCO3)CC2)cc1 ZINC000815573253 627686439 /nfs/dbraw/zinc/68/64/39/627686439.db2.gz DGKNVPDKLBXRQQ-DNVCBOLYSA-N 1 0 318.461 3.211 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1 ZINC000815580110 627686903 /nfs/dbraw/zinc/68/69/03/627686903.db2.gz CFOYSUDHZFXVRD-XHSDSOJGSA-N 1 0 318.461 3.307 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c(O)c1 ZINC000815583036 627687581 /nfs/dbraw/zinc/68/75/81/627687581.db2.gz VJHZDXFSLSOFIX-HNNXBMFYSA-N 1 0 311.425 3.190 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000815633512 627692832 /nfs/dbraw/zinc/69/28/32/627692832.db2.gz PVHRBJUOLKXDHT-HIFRSBDPSA-N 1 0 306.450 3.212 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816532502 627803328 /nfs/dbraw/zinc/80/33/28/627803328.db2.gz KKGAQBOQXRSAEY-LJQANCHMSA-N 1 0 323.392 3.377 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000816530669 627803547 /nfs/dbraw/zinc/80/35/47/627803547.db2.gz QBZSVMYAMSWLCM-UHFFFAOYSA-N 1 0 300.805 3.150 20 10 DGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C[NH+]1CCCC1 ZINC000816536444 627804154 /nfs/dbraw/zinc/80/41/54/627804154.db2.gz XVXXOJLKGWSXMW-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO Oc1c(C[NH2+]CC2(O)Cc3ccccc3C2)ccc2ccccc21 ZINC000816553295 627806556 /nfs/dbraw/zinc/80/65/56/627806556.db2.gz PCDMFBFQLSOWDY-UHFFFAOYSA-N 1 0 319.404 3.165 20 10 DGCDRO OC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)Cc1ccco1 ZINC000816556144 627807597 /nfs/dbraw/zinc/80/75/97/627807597.db2.gz BBDRIBDCHPSBCZ-AWEZNQCLSA-N 1 0 311.381 3.079 20 10 DGCDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816568528 627809451 /nfs/dbraw/zinc/80/94/51/627809451.db2.gz JDNRCHWPIFPWSQ-CHWSQXEVSA-N 1 0 301.386 3.223 20 10 DGCDRO Oc1c(C[NH+]2CCC(O)(C(F)F)CC2)ccc2ccccc21 ZINC000816574219 627810141 /nfs/dbraw/zinc/81/01/41/627810141.db2.gz APCCAMJETSNCNU-UHFFFAOYSA-N 1 0 307.340 3.137 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1O ZINC000816648602 627820247 /nfs/dbraw/zinc/82/02/47/627820247.db2.gz MQFAVBZKJROALB-BDAKNGLRSA-N 1 0 300.196 3.004 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)(C)O ZINC000816653000 627820644 /nfs/dbraw/zinc/82/06/44/627820644.db2.gz BNPNLLJRSFSPKS-CQSZACIVSA-N 1 0 318.383 3.411 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(O)c1 ZINC000816656611 627821853 /nfs/dbraw/zinc/82/18/53/627821853.db2.gz YXWOHLHGDULREI-GOSISDBHSA-N 1 0 317.429 3.182 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000817281900 627876720 /nfs/dbraw/zinc/87/67/20/627876720.db2.gz SFJVYKRUDQOGNW-VQIMIIECSA-N 1 0 316.489 3.436 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)C[C@@H]3CCCN3C)c2c1 ZINC000817372900 627890888 /nfs/dbraw/zinc/89/08/88/627890888.db2.gz LHCKPRVVICDODD-HNNXBMFYSA-N 1 0 314.429 3.080 20 10 DGCDRO CCCN(Cc1nn(C)c(C)c1Cl)Cc1ccccc1O ZINC000817406370 627893663 /nfs/dbraw/zinc/89/36/63/627893663.db2.gz METDANABBFYROT-UHFFFAOYSA-N 1 0 307.825 3.500 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@H](CC)C2)ccc1OC ZINC000817413968 627896230 /nfs/dbraw/zinc/89/62/30/627896230.db2.gz AXOIHBMTKGVYRG-DLBZAZTESA-N 1 0 307.434 3.279 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cc1F ZINC000817412343 627896366 /nfs/dbraw/zinc/89/63/66/627896366.db2.gz IYJVKHKKRYYZIH-HOCLYGCPSA-N 1 0 308.441 3.122 20 10 DGCDRO COc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)on1 ZINC000926595219 627919931 /nfs/dbraw/zinc/91/99/31/627919931.db2.gz HHTMVBXPGSIQKY-ZIAGYGMSSA-N 1 0 317.433 3.339 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3C[C@H]4C=C[C@@H]3CC4)cc2)CC1 ZINC000926725802 627940585 /nfs/dbraw/zinc/94/05/85/627940585.db2.gz USHDTCLAQIPLDI-VPWXQRGCSA-N 1 0 312.457 3.092 20 10 DGCDRO C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817902524 627956887 /nfs/dbraw/zinc/95/68/87/627956887.db2.gz SKKMUDPIIZVUAM-APWZRJJASA-N 1 0 301.478 3.153 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000817929936 627964665 /nfs/dbraw/zinc/96/46/65/627964665.db2.gz VVDWPOFZWWCWQC-CQSZACIVSA-N 1 0 312.413 3.464 20 10 DGCDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938382 627966390 /nfs/dbraw/zinc/96/63/90/627966390.db2.gz JQZDRKURRBBHRH-UXHICEINSA-N 1 0 309.457 3.338 20 10 DGCDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000817938030 627966472 /nfs/dbraw/zinc/96/64/72/627966472.db2.gz BRQWZFFBYHFRBP-VQTJNVASSA-N 1 0 309.457 3.338 20 10 DGCDRO COc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817938360 627966646 /nfs/dbraw/zinc/96/66/46/627966646.db2.gz JKJVGUQYRRGWMK-IFXJQAMLSA-N 1 0 313.445 3.112 20 10 DGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1F ZINC000817938907 627967271 /nfs/dbraw/zinc/96/72/71/627967271.db2.gz VJRQUPQGMVRSTA-ACJLOTCBSA-N 1 0 301.409 3.242 20 10 DGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnc(Cl)c1 ZINC000817939890 627967350 /nfs/dbraw/zinc/96/73/50/627967350.db2.gz CZZLFMAMADQPMA-BLLLJJGKSA-N 1 0 318.852 3.152 20 10 DGCDRO C[NH2+]CCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817939352 627967497 /nfs/dbraw/zinc/96/74/97/627967497.db2.gz DJEQMUDERCQJBI-MRVPVSSYSA-N 1 0 321.646 3.068 20 10 DGCDRO Cc1ccsc1[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938952 627967523 /nfs/dbraw/zinc/96/75/23/627967523.db2.gz WFFPNQSMCIZVLV-BBRMVZONSA-N 1 0 303.475 3.473 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000817939864 627967797 /nfs/dbraw/zinc/96/77/97/627967797.db2.gz CTEOXDREYURWGN-ZBCRRDGASA-N 1 0 311.420 3.166 20 10 DGCDRO C[C@H](CSC(C)(C)C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817944047 627969659 /nfs/dbraw/zinc/96/96/59/627969659.db2.gz WZPYLNDFRNLWJP-CJNGLKHVSA-N 1 0 309.523 3.262 20 10 DGCDRO CCC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817942912 627969668 /nfs/dbraw/zinc/96/96/68/627969668.db2.gz RMZKZJRKYOUDFF-RTBURBONSA-N 1 0 312.461 3.278 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1O ZINC000817942304 627969869 /nfs/dbraw/zinc/96/98/69/627969869.db2.gz NZNYXLPMOJJQBB-ROUUACIJSA-N 1 0 313.445 3.199 20 10 DGCDRO CCOc1ccc(N(C)C(=O)c2ccccc2CC[NH2+]C)cc1 ZINC000817950096 627972614 /nfs/dbraw/zinc/97/26/14/627972614.db2.gz RUHRXOCMVHEDLT-UHFFFAOYSA-N 1 0 312.413 3.124 20 10 DGCDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(N2CCCCCC2)cc1 ZINC000817951231 627972827 /nfs/dbraw/zinc/97/28/27/627972827.db2.gz CBMNVYOILCSFQR-WMZOPIPTSA-N 1 0 301.478 3.470 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CN1Cc1ccccc1 ZINC000817956091 627973997 /nfs/dbraw/zinc/97/39/97/627973997.db2.gz QJFBETRHANTCJI-UZLBHIALSA-N 1 0 309.457 3.064 20 10 DGCDRO C[C@H](NCC1([NH3+])CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817964593 627977111 /nfs/dbraw/zinc/97/71/11/627977111.db2.gz FNHQOAHHWDGMKF-AWEZNQCLSA-N 1 0 305.441 3.348 20 10 DGCDRO C[C@H](NC[C@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817965613 627977700 /nfs/dbraw/zinc/97/77/00/627977700.db2.gz SCYGDSOZGTYXLM-GUYCJALGSA-N 1 0 305.441 3.204 20 10 DGCDRO CC[C@H]([NH2+]CCc1cc(C)n(C)n1)c1cc(Cl)ccc1O ZINC000926912187 627977891 /nfs/dbraw/zinc/97/78/91/627977891.db2.gz UNELXVKSZINLMU-HNNXBMFYSA-N 1 0 307.825 3.371 20 10 DGCDRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000817968060 627978739 /nfs/dbraw/zinc/97/87/39/627978739.db2.gz NXOALRWHXLIBRV-JTDSTZFVSA-N 1 0 301.478 3.326 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(N2CCCCCC2)cc1 ZINC000817977040 627981913 /nfs/dbraw/zinc/98/19/13/627981913.db2.gz ZQLMVIVQRFNEKJ-SZMVWBNQSA-N 1 0 319.468 3.418 20 10 DGCDRO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1O ZINC000817981049 627982388 /nfs/dbraw/zinc/98/23/88/627982388.db2.gz PKFOQNNQCIKJRW-GZMMTYOYSA-N 1 0 324.293 3.059 20 10 DGCDRO C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984425 627983796 /nfs/dbraw/zinc/98/37/96/627983796.db2.gz SLBKMVSDDADFRI-VIFPVBQESA-N 1 0 303.233 3.492 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1[O-] ZINC000817987344 627984254 /nfs/dbraw/zinc/98/42/54/627984254.db2.gz SUUWCANCBHPJEL-JXFSHQFZSA-N 1 0 308.853 3.474 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000926961385 627991042 /nfs/dbraw/zinc/99/10/42/627991042.db2.gz ITAVJAUFTFYKAR-IUODEOHRSA-N 1 0 317.399 3.286 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1 ZINC000927056643 628004035 /nfs/dbraw/zinc/00/40/35/628004035.db2.gz CUVGHXCKNKEQAT-QXRTWZOPSA-N 1 0 318.461 3.476 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(C)nc3)C2)cc1 ZINC000818220659 628005539 /nfs/dbraw/zinc/00/55/39/628005539.db2.gz IJAVCNNFFSVMRS-KRWDZBQOSA-N 1 0 311.429 3.015 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(C)cn3)C2)cc1 ZINC000818222418 628006383 /nfs/dbraw/zinc/00/63/83/628006383.db2.gz SIRRPBPGZHDEMP-MRXNPFEDSA-N 1 0 311.429 3.015 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccnc3C)C2)cc1 ZINC000818221359 628006395 /nfs/dbraw/zinc/00/63/95/628006395.db2.gz RELBGDPMGHQFFG-INIZCTEOSA-N 1 0 311.429 3.015 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H](OC)C3)C2)cc1 ZINC000818222432 628006618 /nfs/dbraw/zinc/00/66/18/628006618.db2.gz SQAJBBSEQZVDHL-JTDSTZFVSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnccc3C)C2)cc1 ZINC000818221949 628006702 /nfs/dbraw/zinc/00/67/02/628006702.db2.gz PRDQYPDLUCWLKF-MRXNPFEDSA-N 1 0 311.429 3.015 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000818221781 628006745 /nfs/dbraw/zinc/00/67/45/628006745.db2.gz SZSOWYAIBQTKKT-SJORKVTESA-N 1 0 300.446 3.467 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC23CC3)ccc1N1CCCCC1 ZINC000818229051 628007220 /nfs/dbraw/zinc/00/72/20/628007220.db2.gz KDGBPIDNMQFOLU-MRXNPFEDSA-N 1 0 301.390 3.227 20 10 DGCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCCN4C)C[C@H]2C1 ZINC000818330182 628013750 /nfs/dbraw/zinc/01/37/50/628013750.db2.gz PDUACIKXCWVXLC-QGFMHUBQSA-N 1 0 314.473 3.362 20 10 DGCDRO C[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1cc(Cl)ccc1O ZINC000927122362 628021328 /nfs/dbraw/zinc/02/13/28/628021328.db2.gz UWMQNDXMLMZCMJ-VIFPVBQESA-N 1 0 324.833 3.426 20 10 DGCDRO CC[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccccc1O ZINC000927122301 628021342 /nfs/dbraw/zinc/02/13/42/628021342.db2.gz SUTJQMVAGNZTLU-LBPRGKRZSA-N 1 0 304.415 3.162 20 10 DGCDRO O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094204 628091316 /nfs/dbraw/zinc/09/13/16/628091316.db2.gz BQWLKCLQXDSNEL-NRFANRHFSA-N 1 0 322.452 3.146 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000821803243 628398852 /nfs/dbraw/zinc/39/88/52/628398852.db2.gz DRQDPQPNRKDOGU-ZDUSSCGKSA-N 1 0 323.400 3.035 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000822210523 628429759 /nfs/dbraw/zinc/42/97/59/628429759.db2.gz FXJBXHUJTVWJAF-ZDUSSCGKSA-N 1 0 323.400 3.040 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)cc1F ZINC000822515996 628460147 /nfs/dbraw/zinc/46/01/47/628460147.db2.gz HAEGZBHYEYRBGD-IBGZPJMESA-N 1 0 316.420 3.231 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C[C@H](C)O1 ZINC000823671699 628585776 /nfs/dbraw/zinc/58/57/76/628585776.db2.gz SSMFALITTLYYAI-QLPKVWCKSA-N 1 0 320.502 3.285 20 10 DGCDRO COc1cc(F)cc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000823851703 628603033 /nfs/dbraw/zinc/60/30/33/628603033.db2.gz WSHMGTMOLFGWDC-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000824376768 628656094 /nfs/dbraw/zinc/65/60/94/628656094.db2.gz NUOQWSHYYPAAKX-OLZOCXBDSA-N 1 0 314.223 3.202 20 10 DGCDRO C[C@H]1CN(C2CC2)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824445649 628661296 /nfs/dbraw/zinc/66/12/96/628661296.db2.gz JHKXVXVLAYMURB-OAHLLOKOSA-N 1 0 310.441 3.462 20 10 DGCDRO CCC[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000824544337 628669470 /nfs/dbraw/zinc/66/94/70/628669470.db2.gz VJHPZNSCRDGADM-GOSISDBHSA-N 1 0 306.450 3.069 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1O ZINC000824554430 628670537 /nfs/dbraw/zinc/67/05/37/628670537.db2.gz GATKPWGYVWFNME-LLVKDONJSA-N 1 0 311.731 3.493 20 10 DGCDRO CO[C@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1ccccc1 ZINC000824591281 628674773 /nfs/dbraw/zinc/67/47/73/628674773.db2.gz TWGVGEIKJGNYHT-AWEZNQCLSA-N 1 0 305.805 3.393 20 10 DGCDRO CC[C@H](C)[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000824596735 628675109 /nfs/dbraw/zinc/67/51/09/628675109.db2.gz KYEYGVKIEUPARH-KXBFYZLASA-N 1 0 320.477 3.315 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2C(=O)OC)c(O)c1 ZINC000824626409 628678145 /nfs/dbraw/zinc/67/81/45/628678145.db2.gz ZAWFKKWQKYNKQT-CVEARBPZSA-N 1 0 321.417 3.002 20 10 DGCDRO FCC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000824691075 628684000 /nfs/dbraw/zinc/68/40/00/628684000.db2.gz SQKZUAHVUDDAIJ-UHFFFAOYSA-N 1 0 306.425 3.285 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000824696328 628684363 /nfs/dbraw/zinc/68/43/63/628684363.db2.gz LJXXNAKDVQSPEJ-IPMKNSEASA-N 1 0 302.462 3.268 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c(O)c1 ZINC000824766349 628691668 /nfs/dbraw/zinc/69/16/68/628691668.db2.gz UHARIFWADVOMIY-CYBMUJFWSA-N 1 0 304.217 3.464 20 10 DGCDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000824798613 628694789 /nfs/dbraw/zinc/69/47/89/628694789.db2.gz GFJDILMKUXHDMC-QAPCUYQASA-N 1 0 308.441 3.433 20 10 DGCDRO COc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1O ZINC000824893138 628703907 /nfs/dbraw/zinc/70/39/07/628703907.db2.gz LLSKQTHIXMRGOJ-CVEARBPZSA-N 1 0 317.429 3.182 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000824948865 628710144 /nfs/dbraw/zinc/71/01/44/628710144.db2.gz VGPWWARZLKDWQR-HKUYNNGSSA-N 1 0 311.429 3.158 20 10 DGCDRO c1cc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CCO2)ccn1 ZINC000824948267 628710264 /nfs/dbraw/zinc/71/02/64/628710264.db2.gz QBORXCSUZYSEEH-IEBWSBKVSA-N 1 0 310.397 3.026 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)c1O ZINC000825041023 628720173 /nfs/dbraw/zinc/72/01/73/628720173.db2.gz YZJVPIMOPQKTKA-CYBMUJFWSA-N 1 0 315.841 3.283 20 10 DGCDRO CCC1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)COC1 ZINC000825078903 628724987 /nfs/dbraw/zinc/72/49/87/628724987.db2.gz FDXYILUAUPBIJG-UHFFFAOYSA-N 1 0 316.367 3.288 20 10 DGCDRO CCOc1ccc(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c(O)c1 ZINC000825104178 628728166 /nfs/dbraw/zinc/72/81/66/628728166.db2.gz QEQXVQFTPDDVNC-IAGOWNOFSA-N 1 0 305.418 3.180 20 10 DGCDRO Cc1cccc(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1O ZINC000825124118 628730272 /nfs/dbraw/zinc/73/02/72/628730272.db2.gz ICVLBHYMDHOWCV-GFCCVEGCSA-N 1 0 316.367 3.017 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC000825133512 628730891 /nfs/dbraw/zinc/73/08/91/628730891.db2.gz IEPVKHHQHLYBPM-MRXNPFEDSA-N 1 0 311.809 3.057 20 10 DGCDRO CCOc1cccc(C[NH2+]C2CCC(OC(F)F)CC2)c1O ZINC000825144433 628732400 /nfs/dbraw/zinc/73/24/00/628732400.db2.gz NJBIVGPHZJBYFY-UHFFFAOYSA-N 1 0 315.360 3.431 20 10 DGCDRO CCOc1cccc(C[NH2+]CC(C)(C)C2(O)CCCC2)c1O ZINC000825231688 628740643 /nfs/dbraw/zinc/74/06/43/628740643.db2.gz DBKVVTILRCZINQ-UHFFFAOYSA-N 1 0 307.434 3.212 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1F ZINC000825261069 628743707 /nfs/dbraw/zinc/74/37/07/628743707.db2.gz XDVQRWLPLYAKKC-YJBOKZPZSA-N 1 0 306.425 3.329 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(C(=O)N(C)C)CCCC2)cc1Cl ZINC000825267875 628744967 /nfs/dbraw/zinc/74/49/67/628744967.db2.gz YGXHPBKQNPMJBC-UHFFFAOYSA-N 1 0 324.852 3.092 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)c2cccc(F)c2)cc1Cl ZINC000825278958 628746095 /nfs/dbraw/zinc/74/60/95/628746095.db2.gz QMNQAYPXFQEHGW-OAHLLOKOSA-N 1 0 309.768 3.316 20 10 DGCDRO Cc1cccc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)c1O ZINC000825294810 628747149 /nfs/dbraw/zinc/74/71/49/628747149.db2.gz ZGVFWXQMVCWDLD-UHFFFAOYSA-N 1 0 316.367 3.159 20 10 DGCDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cc(F)ccc2O)c1 ZINC000825325370 628749775 /nfs/dbraw/zinc/74/97/75/628749775.db2.gz BRCQRKMCVDLYAB-NSHDSACASA-N 1 0 307.340 3.400 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cc2cc(F)cc(OC)c2)c1 ZINC000825326262 628750021 /nfs/dbraw/zinc/75/00/21/628750021.db2.gz KXEQZOZHFWIYCV-GFCCVEGCSA-N 1 0 319.376 3.269 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1Cl ZINC000825375981 628754708 /nfs/dbraw/zinc/75/47/08/628754708.db2.gz TVWRICVWSGYVNA-HNNXBMFYSA-N 1 0 323.795 3.186 20 10 DGCDRO CCOc1ncccc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825422741 628759570 /nfs/dbraw/zinc/75/95/70/628759570.db2.gz SFYUTZAAGWPSPN-UHFFFAOYSA-N 1 0 306.793 3.438 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1Cl ZINC000825450136 628762991 /nfs/dbraw/zinc/76/29/91/628762991.db2.gz AZFKPBVTPYFQDN-UHFFFAOYSA-N 1 0 323.742 3.243 20 10 DGCDRO C[N@H+](CCc1ccncc1)Cc1ccc(Br)cc1O ZINC000825500786 628768976 /nfs/dbraw/zinc/76/89/76/628768976.db2.gz HYFMDMMKXFDVEA-UHFFFAOYSA-N 1 0 321.218 3.224 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2O)c(C)c1 ZINC000825752757 628794278 /nfs/dbraw/zinc/79/42/78/628794278.db2.gz ITBVPEJWIDVRRQ-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825762778 628795195 /nfs/dbraw/zinc/79/51/95/628795195.db2.gz SGDUHVCQWXUJHC-YPMHNXCESA-N 1 0 311.809 3.175 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)c(C)c1 ZINC000825915943 628810450 /nfs/dbraw/zinc/81/04/50/628810450.db2.gz FMODTVXHGYQKGU-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000825934877 628811824 /nfs/dbraw/zinc/81/18/24/628811824.db2.gz LXXAKSGBSHQOAN-OLZOCXBDSA-N 1 0 323.433 3.419 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@H](O)C(C)C ZINC000826120785 628829524 /nfs/dbraw/zinc/82/95/24/628829524.db2.gz JBZRNFZTCFQHOT-GXTWGEPZSA-N 1 0 316.239 3.040 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000826123987 628830131 /nfs/dbraw/zinc/83/01/31/628830131.db2.gz YASBWKRFEZRXJS-FNHZYXHNSA-N 1 0 302.462 3.149 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000826123994 628830235 /nfs/dbraw/zinc/83/02/35/628830235.db2.gz YASBWKRFEZRXJS-YJLNNSPDSA-N 1 0 302.462 3.149 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2COC(C)(C)C2)c1O ZINC000826796049 628888107 /nfs/dbraw/zinc/88/81/07/628888107.db2.gz GPHAZIOXQBCVHJ-GFCCVEGCSA-N 1 0 314.223 3.120 20 10 DGCDRO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[C@H]1O ZINC000827153005 628928801 /nfs/dbraw/zinc/92/88/01/628928801.db2.gz XMPKTBIAXVRHGG-MNZLEMJZSA-N 1 0 302.462 3.126 20 10 DGCDRO FCC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000827270733 628943822 /nfs/dbraw/zinc/94/38/22/628943822.db2.gz DSTAUCCWBTWOEL-HNNXBMFYSA-N 1 0 324.415 3.234 20 10 DGCDRO COc1cccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1O ZINC000827377184 628954457 /nfs/dbraw/zinc/95/44/57/628954457.db2.gz RPAZLRNYXOIHLG-INIZCTEOSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000827377149 628954608 /nfs/dbraw/zinc/95/46/08/628954608.db2.gz QRDFGOCOOOXMFI-KBXCAEBGSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)Cn2cccn2)ccc1N1CCCCC1 ZINC000827752135 628988684 /nfs/dbraw/zinc/98/86/84/628988684.db2.gz KUJYIGCFXSGXQM-QGZVFWFLSA-N 1 0 312.461 3.360 20 10 DGCDRO Cc1ccc(O)c(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1 ZINC000827789906 628991519 /nfs/dbraw/zinc/99/15/19/628991519.db2.gz YGIPTIKLOVYKJF-DGCLKSJQSA-N 1 0 303.324 3.242 20 10 DGCDRO CCOc1cccc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000827962997 629008875 /nfs/dbraw/zinc/00/88/75/629008875.db2.gz XRAKHRXBNBADEU-MEDUHNTESA-N 1 0 315.360 3.035 20 10 DGCDRO COC1CCN(c2ccc(C[NH2+]C3(C4CC4)CC3)cc2)CC1 ZINC000828802851 629094517 /nfs/dbraw/zinc/09/45/17/629094517.db2.gz RFRUBXVBUMSILD-UHFFFAOYSA-N 1 0 300.446 3.334 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1O ZINC000828893377 629106211 /nfs/dbraw/zinc/10/62/11/629106211.db2.gz JVQRJPQCOSMDOO-GUYCJALGSA-N 1 0 321.392 3.125 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H]2CO)ccc1N1CCCCC1 ZINC000829121351 629132764 /nfs/dbraw/zinc/13/27/64/629132764.db2.gz TXUSSRIJHDCEDQ-HNAYVOBHSA-N 1 0 302.462 3.188 20 10 DGCDRO CCOCC(C)(C)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000830022356 629218215 /nfs/dbraw/zinc/21/82/15/629218215.db2.gz CTHKARJPAIJZHU-UHFFFAOYSA-N 1 0 320.477 3.207 20 10 DGCDRO Cc1cc(C(=O)NCC2([NH3+])CCC2)c(C)n1-c1ccccc1C ZINC000831554327 629390199 /nfs/dbraw/zinc/39/01/99/629390199.db2.gz GWNCKSROJGFTTH-UHFFFAOYSA-N 1 0 311.429 3.014 20 10 DGCDRO CCCCCC[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274428 629458262 /nfs/dbraw/zinc/45/82/62/629458262.db2.gz SZFJHDYMBHZLEX-QAPCUYQASA-N 1 0 319.493 3.475 20 10 DGCDRO CCOC(=O)N[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)CC(C)C ZINC000834501995 629718454 /nfs/dbraw/zinc/71/84/54/629718454.db2.gz LRVDSDWYFJKDIA-CABCVRRESA-N 1 0 320.433 3.130 20 10 DGCDRO Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2=O)cc1 ZINC000834668243 629752473 /nfs/dbraw/zinc/75/24/73/629752473.db2.gz IXTNSKFOMBTWNA-SJORKVTESA-N 1 0 322.408 3.083 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H](O)c1cccc(F)c1 ZINC000834676468 629755179 /nfs/dbraw/zinc/75/51/79/629755179.db2.gz UXZFJPWUQALSPV-BKGUAONASA-N 1 0 301.361 3.230 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H](O)C(F)F ZINC000834875502 629795077 /nfs/dbraw/zinc/79/50/77/629795077.db2.gz QBVGVDJPIPGKHC-IEQSHNCZSA-N 1 0 303.324 3.074 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)[C@H](O)C(F)F ZINC000834875864 629795091 /nfs/dbraw/zinc/79/50/91/629795091.db2.gz UWSUOBDCVLTWSP-WLTAIBSBSA-N 1 0 307.768 3.409 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)[C@@H](O)C(F)F ZINC000834875862 629795613 /nfs/dbraw/zinc/79/56/13/629795613.db2.gz UWSUOBDCVLTWSP-LJUAHTATSA-N 1 0 307.768 3.409 20 10 DGCDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000834880790 629795953 /nfs/dbraw/zinc/79/59/53/629795953.db2.gz QUPWUFYQTCFZAS-YWPYICTPSA-N 1 0 313.825 3.056 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1O)[C@@H](C)O ZINC000834888255 629798764 /nfs/dbraw/zinc/79/87/64/629798764.db2.gz NZTVRUZGHUKVJU-BREBYQMCSA-N 1 0 316.239 3.273 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCO[C@H](c3ccncc3)C1)CC2 ZINC000834895077 629800452 /nfs/dbraw/zinc/80/04/52/629800452.db2.gz XDLXYAVFJGGSSX-JZXOWHBKSA-N 1 0 310.397 3.284 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)cc1 ZINC000834897779 629802005 /nfs/dbraw/zinc/80/20/05/629802005.db2.gz VQRHHMYXZDQGCS-CABCVRRESA-N 1 0 300.450 3.158 20 10 DGCDRO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1cc(Br)ccc1O ZINC000834906243 629805167 /nfs/dbraw/zinc/80/51/67/629805167.db2.gz YQBWXXXJQZJRDR-RNCFNFMXSA-N 1 0 314.223 3.230 20 10 DGCDRO Cc1cnc(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000834907699 629805942 /nfs/dbraw/zinc/80/59/42/629805942.db2.gz AGINOEBELJRFNW-CQSZACIVSA-N 1 0 311.429 3.263 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c(O)c1 ZINC000834910962 629806841 /nfs/dbraw/zinc/80/68/41/629806841.db2.gz HADDUTGDVOWPSY-VBQJREDUSA-N 1 0 315.417 3.005 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000835026072 629827650 /nfs/dbraw/zinc/82/76/50/629827650.db2.gz PEFSTINFGKLVHO-SFFCAUCYSA-N 1 0 313.489 3.184 20 10 DGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C/C=C/c1ccc(N(C)C)cc1 ZINC000835029517 629829243 /nfs/dbraw/zinc/82/92/43/629829243.db2.gz RAIUILPJCBTQIE-KPDZFXRVSA-N 1 0 313.489 3.324 20 10 DGCDRO Cc1cc(C)n(CCC[NH2+]C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835033038 629829825 /nfs/dbraw/zinc/82/98/25/629829825.db2.gz NUWCRILCYWYMFF-FNORWQNLSA-N 1 0 312.461 3.259 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cccc(N(C)C)n2)cc1 ZINC000835040501 629831807 /nfs/dbraw/zinc/83/18/07/629831807.db2.gz DKHWCTGUWPOWEJ-SREVYHEPSA-N 1 0 310.445 3.017 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000835039772 629831830 /nfs/dbraw/zinc/83/18/30/629831830.db2.gz JIPSDFGJERAJFJ-WRFKIARRSA-N 1 0 316.470 3.325 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000835040910 629831914 /nfs/dbraw/zinc/83/19/14/629831914.db2.gz VYXJHSXHJURGKF-LLHWWHOWSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000835040912 629832416 /nfs/dbraw/zinc/83/24/16/629832416.db2.gz VYXJHSXHJURGKF-ZRHASKPBSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2(CCO)CCCCC2)cc1 ZINC000835043403 629832916 /nfs/dbraw/zinc/83/29/16/629832916.db2.gz QJDSPBCURSZCJG-SREVYHEPSA-N 1 0 302.462 3.441 20 10 DGCDRO Cc1ccccc1[C@@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042075 629833159 /nfs/dbraw/zinc/83/31/59/629833159.db2.gz GPWCQXMRAYUWFH-CPSHHHPTSA-N 1 0 310.441 3.397 20 10 DGCDRO Cc1cccc(NCC[NH2+]C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835044817 629833867 /nfs/dbraw/zinc/83/38/67/629833867.db2.gz PNOYXUAIJMSLQR-ALCCZGGFSA-N 1 0 310.445 3.171 20 10 DGCDRO CC(C)C[C@@H](CCO)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835043634 629833977 /nfs/dbraw/zinc/83/39/77/629833977.db2.gz TYANSMARVPZPGN-OOFWQKGWSA-N 1 0 304.478 3.400 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2nn(C)c3ccccc23)cc1 ZINC000835048563 629835771 /nfs/dbraw/zinc/83/57/71/629835771.db2.gz VGFZPRRPROVMOL-VOTSOKGWSA-N 1 0 320.440 3.442 20 10 DGCDRO CC[C@@](C)(CC(=O)OC)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835048395 629835841 /nfs/dbraw/zinc/83/58/41/629835841.db2.gz RAZCAMXUZCQWFJ-DVBCCOPCSA-N 1 0 304.434 3.087 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1 ZINC000835051855 629837030 /nfs/dbraw/zinc/83/70/30/629837030.db2.gz AKVXMZSVGPMRDI-DUMMIQTOSA-N 1 0 302.462 3.153 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C(C)(C)CN2CCCC2)cc1 ZINC000835054883 629838867 /nfs/dbraw/zinc/83/88/67/629838867.db2.gz MQOYRMLTKRFXGQ-BQYQJAHWSA-N 1 0 301.478 3.230 20 10 DGCDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2c(O)cccc2OC)c1 ZINC000835054620 629838878 /nfs/dbraw/zinc/83/88/78/629838878.db2.gz LSYHGZLIUFYWGZ-LBPRGKRZSA-N 1 0 319.376 3.269 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000835055622 629839930 /nfs/dbraw/zinc/83/99/30/629839930.db2.gz LVVDZWJBCMFFPT-PEAOBZDDSA-N 1 0 313.489 3.184 20 10 DGCDRO CON1CCC([N@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000835076356 629845537 /nfs/dbraw/zinc/84/55/37/629845537.db2.gz OFKXKPUYAWTXKZ-UHFFFAOYSA-N 1 0 317.477 3.135 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](Cc2cnn(C)c2)CC(C)C)cc1C ZINC000835075934 629845547 /nfs/dbraw/zinc/84/55/47/629845547.db2.gz BBRIOQRTBPSJSP-UHFFFAOYSA-N 1 0 301.434 3.401 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1C ZINC000840719971 630351783 /nfs/dbraw/zinc/35/17/83/630351783.db2.gz XKSWIXQWADARLA-SPYBWZPUSA-N 1 0 302.462 3.029 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000840764292 630356588 /nfs/dbraw/zinc/35/65/88/630356588.db2.gz QGTLSLVDHYAAAD-JLLWLGSASA-N 1 0 314.223 3.373 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000840818044 630362176 /nfs/dbraw/zinc/36/21/76/630362176.db2.gz GIEFTOGEIWLNRF-FXECBMLZSA-N 1 0 300.446 3.362 20 10 DGCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000840824466 630362921 /nfs/dbraw/zinc/36/29/21/630362921.db2.gz NDDUKHJIOKNXHU-ZYSHUDEJSA-N 1 0 318.461 3.131 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccccc1O ZINC000840881061 630371526 /nfs/dbraw/zinc/37/15/26/630371526.db2.gz NLUJEESTJQLWQZ-RHSMWYFYSA-N 1 0 303.377 3.348 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCC(=O)NC2CCCCC2)c(Cl)c1 ZINC000840884123 630372152 /nfs/dbraw/zinc/37/21/52/630372152.db2.gz ZJEOLLASBXPZEU-UHFFFAOYSA-N 1 0 324.852 3.283 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C2CCN(CC(F)F)CC2)c(Cl)c1 ZINC000840886335 630372319 /nfs/dbraw/zinc/37/23/19/630372319.db2.gz CIRCMFXLXXATJE-UHFFFAOYSA-N 1 0 318.795 3.173 20 10 DGCDRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893338 630373882 /nfs/dbraw/zinc/37/38/82/630373882.db2.gz ITNQUYXYZCIIDQ-ZIAGYGMSSA-N 1 0 300.450 3.374 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000840893778 630373892 /nfs/dbraw/zinc/37/38/92/630373892.db2.gz LSIXVXPUXLNSJB-KDOFPFPSSA-N 1 0 312.461 3.382 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000840899143 630374241 /nfs/dbraw/zinc/37/42/41/630374241.db2.gz ZHXCXVGOKGNZED-WBVHZDCISA-N 1 0 312.388 3.387 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(Cl)c1 ZINC000840897260 630374490 /nfs/dbraw/zinc/37/44/90/630374490.db2.gz LLYKVQKYMJUCJY-CHWSQXEVSA-N 1 0 324.852 3.091 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CSCCS2)c(Cl)c1 ZINC000840904907 630375011 /nfs/dbraw/zinc/37/50/11/630375011.db2.gz LWBJEAGKNXBUKJ-JTQLQIEISA-N 1 0 303.880 3.292 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000840910860 630376363 /nfs/dbraw/zinc/37/63/63/630376363.db2.gz NOAOGSQMIIXQNG-LJQANCHMSA-N 1 0 301.478 3.121 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000840920808 630378806 /nfs/dbraw/zinc/37/88/06/630378806.db2.gz JYWIZTZWFKFXNW-MSOLQXFVSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000840934003 630379832 /nfs/dbraw/zinc/37/98/32/630379832.db2.gz LTXDJMJKWIKGSL-OXQOHEQNSA-N 1 0 312.457 3.315 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@](C)(O)c1cccs1 ZINC000840933538 630380055 /nfs/dbraw/zinc/38/00/55/630380055.db2.gz HQZYNTLOBQHJKK-KRWDZBQOSA-N 1 0 304.459 3.120 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000840934001 630380089 /nfs/dbraw/zinc/38/00/89/630380089.db2.gz LTXDJMJKWIKGSL-JXFKEZNVSA-N 1 0 312.457 3.315 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCN(C)CC(F)(F)F ZINC000840932247 630380099 /nfs/dbraw/zinc/38/00/99/630380099.db2.gz ZRFFFEKLHWZKAF-UHFFFAOYSA-N 1 0 317.399 3.035 20 10 DGCDRO Cc1noc(C)c1C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933602 630380145 /nfs/dbraw/zinc/38/01/45/630380145.db2.gz IJDHYUWMRFIJRB-ZDUSSCGKSA-N 1 0 301.434 3.387 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000840937663 630380718 /nfs/dbraw/zinc/38/07/18/630380718.db2.gz VSTACABXLUCFPK-RHSMWYFYSA-N 1 0 302.418 3.256 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000840948680 630382864 /nfs/dbraw/zinc/38/28/64/630382864.db2.gz XWFMUCCXFUUPIK-LPHOPBHVSA-N 1 0 301.478 3.120 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000840950159 630383228 /nfs/dbraw/zinc/38/32/28/630383228.db2.gz KSCSGFRRHZLDQG-SFHVURJKSA-N 1 0 302.462 3.310 20 10 DGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840953403 630383744 /nfs/dbraw/zinc/38/37/44/630383744.db2.gz OBXOSIZFGDMEDZ-UHFFFAOYSA-N 1 0 303.793 3.215 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)cc1OC ZINC000840954720 630383895 /nfs/dbraw/zinc/38/38/95/630383895.db2.gz MSQCGOCRZUKMCO-HIFRSBDPSA-N 1 0 305.418 3.325 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)cc1OC ZINC000840954721 630384466 /nfs/dbraw/zinc/38/44/66/630384466.db2.gz MSQCGOCRZUKMCO-UKRRQHHQSA-N 1 0 305.418 3.325 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)OCC2CC2)c1O ZINC000840960255 630386068 /nfs/dbraw/zinc/38/60/68/630386068.db2.gz IYTPCZPOIXBVOP-UHFFFAOYSA-N 1 0 313.825 3.349 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1O ZINC000840964696 630387472 /nfs/dbraw/zinc/38/74/72/630387472.db2.gz ZPLIMLPTZDSKLG-AWEZNQCLSA-N 1 0 323.795 3.359 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000840978678 630390102 /nfs/dbraw/zinc/39/01/02/630390102.db2.gz RCBFVAJDPWTNCE-GOSISDBHSA-N 1 0 300.446 3.145 20 10 DGCDRO [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841029646 630397730 /nfs/dbraw/zinc/39/77/30/630397730.db2.gz IVPQEKSIJPAWAN-RNCFNFMXSA-N 1 0 303.233 3.306 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000841032927 630399108 /nfs/dbraw/zinc/39/91/08/630399108.db2.gz HSYAALKZYOENQK-NXEZZACHSA-N 1 0 303.233 3.177 20 10 DGCDRO N[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000841038094 630399908 /nfs/dbraw/zinc/39/99/08/630399908.db2.gz UGYVVHJCNVJNAH-FQEVSTJZSA-N 1 0 309.457 3.467 20 10 DGCDRO CC(C)c1ncc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841042112 630400752 /nfs/dbraw/zinc/40/07/52/630400752.db2.gz HWNORQVSCXFPGS-INIZCTEOSA-N 1 0 318.490 3.122 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000841045301 630401200 /nfs/dbraw/zinc/40/12/00/630401200.db2.gz JRVQKYCZJGECGW-IPMKNSEASA-N 1 0 301.478 3.311 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(Cl)cs2)cc1 ZINC000841044056 630401212 /nfs/dbraw/zinc/40/12/12/630401212.db2.gz UPLLPVDGAZQPIW-HNNXBMFYSA-N 1 0 309.866 3.257 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2sccc2Cl)cc1 ZINC000841045192 630401280 /nfs/dbraw/zinc/40/12/80/630401280.db2.gz JGTMHQAIIJMCQN-AWEZNQCLSA-N 1 0 309.866 3.257 20 10 DGCDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046146 630401960 /nfs/dbraw/zinc/40/19/60/630401960.db2.gz WZKXDEPBCVRUFZ-AZUAARDMSA-N 1 0 311.473 3.363 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000841081719 630405476 /nfs/dbraw/zinc/40/54/76/630405476.db2.gz XMIPMHKKSGXHNK-AERCQKQUSA-N 1 0 321.468 3.021 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000841081477 630405482 /nfs/dbraw/zinc/40/54/82/630405482.db2.gz WMFJVGPQGFUOCM-LLVKDONJSA-N 1 0 315.255 3.070 20 10 DGCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841301773 630425607 /nfs/dbraw/zinc/42/56/07/630425607.db2.gz YMOHDFFYVMIJBQ-OKILXGFUSA-N 1 0 318.465 3.147 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC(OC3CCC3)CC1)CCC2 ZINC000841688182 630454759 /nfs/dbraw/zinc/45/47/59/630454759.db2.gz ZUIJMWQIQSNXLA-UHFFFAOYSA-N 1 0 301.430 3.414 20 10 DGCDRO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(Cl)cc1O ZINC000841743607 630461279 /nfs/dbraw/zinc/46/12/79/630461279.db2.gz BGFPOXCFGUYZMR-NSHDSACASA-N 1 0 305.809 3.357 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(Cl)cc1O ZINC000841752284 630462189 /nfs/dbraw/zinc/46/21/89/630462189.db2.gz SBGBQGNHDSGUQL-WCQYABFASA-N 1 0 311.809 3.382 20 10 DGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)CC(C)C ZINC000841756122 630462448 /nfs/dbraw/zinc/46/24/48/630462448.db2.gz RBEOLLGQIJOGTL-QFBILLFUSA-N 1 0 320.477 3.235 20 10 DGCDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841889348 630473620 /nfs/dbraw/zinc/47/36/20/630473620.db2.gz BZEUDNMZZFGTIV-QLFBSQMISA-N 1 0 306.425 3.139 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000841994552 630477837 /nfs/dbraw/zinc/47/78/37/630477837.db2.gz JAOFFSFKDPHJNV-HNNXBMFYSA-N 1 0 321.465 3.221 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000842624343 630555284 /nfs/dbraw/zinc/55/52/84/630555284.db2.gz YSRVXRSWAJHYBZ-MRXNPFEDSA-N 1 0 305.381 3.325 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC(F)F ZINC000842727180 630568063 /nfs/dbraw/zinc/56/80/63/630568063.db2.gz DQVLTGYFZSEIGW-LBPRGKRZSA-N 1 0 316.367 3.043 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@H]2CSc3ccccc3O2)c1O ZINC000842726631 630568262 /nfs/dbraw/zinc/56/82/62/630568262.db2.gz KYEKYFNKODBZIM-CYBMUJFWSA-N 1 0 317.410 3.044 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842887583 630589657 /nfs/dbraw/zinc/58/96/57/630589657.db2.gz ZNZPSZVUQUXOHE-BXUZGUMPSA-N 1 0 324.852 3.404 20 10 DGCDRO Cc1ccc(O)c(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1 ZINC000843052925 630609080 /nfs/dbraw/zinc/60/90/80/630609080.db2.gz OYMKUZRKUDRVIO-LJQANCHMSA-N 1 0 310.441 3.455 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000843113787 630615081 /nfs/dbraw/zinc/61/50/81/630615081.db2.gz DBOMNRUXMRAKCI-GELBITPBSA-N 1 0 321.468 3.193 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)cc1 ZINC000843120590 630615869 /nfs/dbraw/zinc/61/58/69/630615869.db2.gz QPCPTROMPHOKLV-HXUWFJFHSA-N 1 0 324.472 3.074 20 10 DGCDRO CC1CCC(=CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000843297688 630643734 /nfs/dbraw/zinc/64/37/34/630643734.db2.gz JQWRZFRZASMXBN-XPKAQORNSA-N 1 0 315.461 3.005 20 10 DGCDRO COC(=O)[C@H](c1ccccc1C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349779 630648911 /nfs/dbraw/zinc/64/89/11/630648911.db2.gz BXNJGRZJGXGALW-IBGZPJMESA-N 1 0 324.424 3.121 20 10 DGCDRO Cc1cccc(C)c1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843351536 630648913 /nfs/dbraw/zinc/64/89/13/630648913.db2.gz NTLMNUNPNLKNSQ-UHFFFAOYSA-N 1 0 323.440 3.153 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000843417149 630654464 /nfs/dbraw/zinc/65/44/64/630654464.db2.gz PWXLXBHBKWIXPH-RHSMWYFYSA-N 1 0 305.418 3.182 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)[C@@H]1SC ZINC000843430482 630657378 /nfs/dbraw/zinc/65/73/78/630657378.db2.gz XEYYDQRTLCBUKB-NFAWXSAZSA-N 1 0 315.866 3.353 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)C(CC)(CC)C[NH3+])cc1 ZINC000844167235 630711217 /nfs/dbraw/zinc/71/12/17/630711217.db2.gz XTHSDYCFUIPPHX-UHFFFAOYSA-N 1 0 319.493 3.256 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000844387943 630723873 /nfs/dbraw/zinc/72/38/73/630723873.db2.gz YGHOMLIOURLSHZ-UHFFFAOYSA-N 1 0 316.445 3.171 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2scnc2C)cc1 ZINC000844402993 630724796 /nfs/dbraw/zinc/72/47/96/630724796.db2.gz YTVMOKBLDFKTOP-UHFFFAOYSA-N 1 0 305.447 3.028 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)[C@@H](CC)CO1 ZINC000844724984 630808003 /nfs/dbraw/zinc/80/80/03/630808003.db2.gz GFUOBCNYTUXLTL-LSDHHAIUSA-N 1 0 300.402 3.330 20 10 DGCDRO C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000844904408 630972958 /nfs/dbraw/zinc/97/29/58/630972958.db2.gz LBBKZNWHCFZGHO-UHFFFAOYSA-N 1 0 308.784 3.194 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000845924578 631202343 /nfs/dbraw/zinc/20/23/43/631202343.db2.gz BRILXNPVSTXPJF-UHFFFAOYSA-N 1 0 310.441 3.375 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C(C)(C)C)nc2)c1 ZINC000845970845 631204106 /nfs/dbraw/zinc/20/41/06/631204106.db2.gz DCYMMKLWSBLPJO-LBPRGKRZSA-N 1 0 315.417 3.339 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnn2CC(C)C)c1 ZINC000845970598 631204124 /nfs/dbraw/zinc/20/41/24/631204124.db2.gz ACRXFJYKUXYFNC-ZDUSSCGKSA-N 1 0 303.406 3.104 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@@H]1C ZINC000845970877 631204137 /nfs/dbraw/zinc/20/41/37/631204137.db2.gz FAVAKLZURJCDSF-FOCJUVANSA-N 1 0 321.417 3.029 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1O ZINC000845972618 631204300 /nfs/dbraw/zinc/20/43/00/631204300.db2.gz PWNBZQXAOQKTFN-GFCCVEGCSA-N 1 0 317.385 3.356 20 10 DGCDRO CCOC(=O)CC(C)(C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845972517 631204309 /nfs/dbraw/zinc/20/43/09/631204309.db2.gz RDQLATSCUWKYAI-GFCCVEGCSA-N 1 0 309.406 3.031 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@](C)(O)c1ccccc1 ZINC000846039716 631207577 /nfs/dbraw/zinc/20/75/77/631207577.db2.gz REIIPMROSBTYCO-YVEFUNNKSA-N 1 0 305.805 3.431 20 10 DGCDRO COCc1ccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)o1 ZINC000846053534 631208281 /nfs/dbraw/zinc/20/82/81/631208281.db2.gz ZGBPASOXUVIIEU-UHFFFAOYSA-N 1 0 318.417 3.003 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@@H](C)CO)CC2)cc1 ZINC000846058499 631208610 /nfs/dbraw/zinc/20/86/10/631208610.db2.gz QDKKKEIQNLORHN-INIZCTEOSA-N 1 0 304.478 3.373 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000846100608 631209338 /nfs/dbraw/zinc/20/93/38/631209338.db2.gz PDENUKBPNZLKMP-NPPFBWRTSA-N 1 0 320.502 3.018 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCC2(CO)CCC2)cc1F ZINC000846102566 631209705 /nfs/dbraw/zinc/20/97/05/631209705.db2.gz NXCBRPRXSMTBHX-UHFFFAOYSA-N 1 0 308.441 3.314 20 10 DGCDRO FC1(F)C[C@]12CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000846107857 631209863 /nfs/dbraw/zinc/20/98/63/631209863.db2.gz LIYZWFBYTWNLTK-KRWDZBQOSA-N 1 0 322.399 3.144 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccccc1O ZINC000846123673 631211070 /nfs/dbraw/zinc/21/10/70/631211070.db2.gz UDCFAJPLLQQNJE-CVEARBPZSA-N 1 0 312.413 3.209 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1O ZINC000846136937 631211361 /nfs/dbraw/zinc/21/13/61/631211361.db2.gz MDVOBKWWLHWYLA-CYBMUJFWSA-N 1 0 300.402 3.318 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)c1O ZINC000846135133 631211447 /nfs/dbraw/zinc/21/14/47/631211447.db2.gz BJKMDNGNDKUQPH-YOEHRIQHSA-N 1 0 314.429 3.354 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCN(C)Cc2ccccc2)c1O ZINC000846142154 631211575 /nfs/dbraw/zinc/21/15/75/631211575.db2.gz CKZRAXYWIBNDHL-HNNXBMFYSA-N 1 0 314.429 3.183 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CN2CCC[C@@H](C)C2)c1O ZINC000846143521 631211770 /nfs/dbraw/zinc/21/17/70/631211770.db2.gz JGHAEFMHUYDTMS-KFWWJZLASA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2c(C)cc(C)nc2OC)c1O ZINC000846142921 631211861 /nfs/dbraw/zinc/21/18/61/631211861.db2.gz BWTBAXTVIFYQPV-CYBMUJFWSA-N 1 0 316.401 3.272 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCN2[C@H](C)CCC[C@H]2C)c1O ZINC000846147242 631211984 /nfs/dbraw/zinc/21/19/84/631211984.db2.gz UXVCLEOQQLZAPD-KFWWJZLASA-N 1 0 306.450 3.314 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(N(C)C)c2)c1O ZINC000846146054 631212140 /nfs/dbraw/zinc/21/21/40/631212140.db2.gz PMDGQDTUJOKRML-ZDUSSCGKSA-N 1 0 300.402 3.318 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](OC)c2ccccc2)c1O ZINC000846147011 631212148 /nfs/dbraw/zinc/21/21/48/631212148.db2.gz UQOCEBSUVPPUFG-SUMWQHHRSA-N 1 0 301.386 3.439 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846150588 631212257 /nfs/dbraw/zinc/21/22/57/631212257.db2.gz JFJZVCOUUBLYTK-CJNGLKHVSA-N 1 0 301.386 3.439 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846150587 631212290 /nfs/dbraw/zinc/21/22/90/631212290.db2.gz JFJZVCOUUBLYTK-BBRMVZONSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1O ZINC000846156242 631212498 /nfs/dbraw/zinc/21/24/98/631212498.db2.gz CVBFDYJXEMLEHF-XIKOKIGWSA-N 1 0 319.376 3.098 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846157373 631212860 /nfs/dbraw/zinc/21/28/60/631212860.db2.gz LTXADJLSXLSTHW-LBPRGKRZSA-N 1 0 317.433 3.110 20 10 DGCDRO CCC(CC)(C[NH2+][C@H](C)c1cccc(OC)c1O)C(=O)OC ZINC000846165597 631212982 /nfs/dbraw/zinc/21/29/82/631212982.db2.gz PHVXTOXTPZBECG-GFCCVEGCSA-N 1 0 309.406 3.031 20 10 DGCDRO CCC(CC)(C[NH2+][C@@H](C)c1cccc(OC)c1O)C(=O)OC ZINC000846165599 631213046 /nfs/dbraw/zinc/21/30/46/631213046.db2.gz PHVXTOXTPZBECG-LBPRGKRZSA-N 1 0 309.406 3.031 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c1O ZINC000846166855 631213194 /nfs/dbraw/zinc/21/31/94/631213194.db2.gz DPFCMSMXYOJRAL-CZUORRHYSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCOC3(CCC3)C2)c1O ZINC000846168190 631213356 /nfs/dbraw/zinc/21/33/56/631213356.db2.gz IBXUEVGJVDTRQA-KBPBESRZSA-N 1 0 305.418 3.401 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CCO)c2ccccc2F)c1O ZINC000846175145 631213477 /nfs/dbraw/zinc/21/34/77/631213477.db2.gz XFEQSVWBKVQCOD-LRDDRELGSA-N 1 0 319.376 3.314 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c1O ZINC000846171726 631213642 /nfs/dbraw/zinc/21/36/42/631213642.db2.gz VXGPXIZRQJQSBK-DZGCQCFKSA-N 1 0 307.434 3.240 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)c(O)c1 ZINC000846181515 631213732 /nfs/dbraw/zinc/21/37/32/631213732.db2.gz ZQSDDEJNTJIBNP-YWZLYKJASA-N 1 0 311.425 3.228 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c1O ZINC000846189002 631214453 /nfs/dbraw/zinc/21/44/53/631214453.db2.gz RVSSOBXHYNXTAO-KSMMKXTCSA-N 1 0 315.413 3.348 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCO[C@H](c3ccncc3)C1)CC2 ZINC000846205025 631214636 /nfs/dbraw/zinc/21/46/36/631214636.db2.gz XDLXYAVFJGGSSX-RYRKJORJSA-N 1 0 310.397 3.284 20 10 DGCDRO C/C(=C/c1cccnc1)C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000846864816 631333075 /nfs/dbraw/zinc/33/30/75/631333075.db2.gz DXNFXYFQQPGZMQ-RXBGNRNISA-N 1 0 321.424 3.004 20 10 DGCDRO Cc1noc(CN(C)Cc2ccc(N3CCCCC3)c(C)c2)n1 ZINC000847086110 631401071 /nfs/dbraw/zinc/40/10/71/631401071.db2.gz LVZDHHHALJVSDB-UHFFFAOYSA-N 1 0 314.433 3.309 20 10 DGCDRO CCC(C)(C)[NH+]1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000848495678 631670168 /nfs/dbraw/zinc/67/01/68/631670168.db2.gz NPAAGBXYUATCPT-UHFFFAOYSA-N 1 0 306.450 3.015 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@H](C)SC3)C2)cc1 ZINC000848553345 631690702 /nfs/dbraw/zinc/69/07/02/631690702.db2.gz LYAMLADAAYXWQV-XHSDSOJGSA-N 1 0 320.502 3.395 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000848558900 631691931 /nfs/dbraw/zinc/69/19/31/631691931.db2.gz PPBRQOITBNMPOL-IGNZVWTISA-N 1 0 305.418 3.399 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000848559718 631693003 /nfs/dbraw/zinc/69/30/03/631693003.db2.gz YFQJHSAHRNCQMT-UTUOFQBUSA-N 1 0 316.367 3.402 20 10 DGCDRO COCC1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000848561222 631693898 /nfs/dbraw/zinc/69/38/98/631693898.db2.gz REGAFOFZRFMSSH-JTQLQIEISA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2O ZINC000848566326 631695788 /nfs/dbraw/zinc/69/57/88/631695788.db2.gz VBKBWIPSKXSEFO-IJAQBYFRSA-N 1 0 313.372 3.328 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848575879 631701728 /nfs/dbraw/zinc/70/17/28/631701728.db2.gz XMVZTKJLJUCHBS-PMACEKPBSA-N 1 0 313.489 3.393 20 10 DGCDRO CCc1cccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)c1O ZINC000848881632 631769941 /nfs/dbraw/zinc/76/99/41/631769941.db2.gz RKBDDXWBQZJBKO-UHFFFAOYSA-N 1 0 301.386 3.301 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000848883289 631770181 /nfs/dbraw/zinc/77/01/81/631770181.db2.gz LOXXPPQPLWPGDL-HNNXBMFYSA-N 1 0 320.433 3.054 20 10 DGCDRO CCc1cccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1O ZINC000848891042 631774147 /nfs/dbraw/zinc/77/41/47/631774147.db2.gz WIOSBJVQWHKTKX-OAHLLOKOSA-N 1 0 317.351 3.090 20 10 DGCDRO CCc1cccc(C[NH2+]C2CCN(c3ccccn3)CC2)c1O ZINC000848892792 631775958 /nfs/dbraw/zinc/77/59/58/631775958.db2.gz HBZZNWFJZNKUIF-UHFFFAOYSA-N 1 0 311.429 3.108 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(C3OCCO3)cc2)c1O ZINC000848895591 631776398 /nfs/dbraw/zinc/77/63/98/631776398.db2.gz OBXGJSVKJQBRGX-UHFFFAOYSA-N 1 0 313.397 3.290 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c1O ZINC000848897413 631778010 /nfs/dbraw/zinc/77/80/10/631778010.db2.gz IJTUCKBOWOBTFV-LBPRGKRZSA-N 1 0 301.434 3.026 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000848898851 631779034 /nfs/dbraw/zinc/77/90/34/631779034.db2.gz ZFXRVTBWAMGMJH-YVEFUNNKSA-N 1 0 303.377 3.305 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1O ZINC000848912497 631783931 /nfs/dbraw/zinc/78/39/31/631783931.db2.gz GNFKHALGPFOGJQ-INIZCTEOSA-N 1 0 314.404 3.462 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000848913192 631784254 /nfs/dbraw/zinc/78/42/54/631784254.db2.gz QTWTURDMRXOKES-UYAOXDASSA-N 1 0 311.425 3.210 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCc2ncc(C)cc2C)c1O ZINC000848923949 631789965 /nfs/dbraw/zinc/78/99/65/631789965.db2.gz TVCMZBTWRCVPSF-UHFFFAOYSA-N 1 0 320.820 3.398 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1O ZINC000848927799 631790872 /nfs/dbraw/zinc/79/08/72/631790872.db2.gz NUFZOEKVJKYSIN-HUUCEWRRSA-N 1 0 324.852 3.161 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848927646 631791037 /nfs/dbraw/zinc/79/10/37/631791037.db2.gz JOKFUSKURGAJAO-RBUKOAKNSA-N 1 0 301.478 3.168 20 10 DGCDRO COc1cc(C[NH2+]CC[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000850024526 632031714 /nfs/dbraw/zinc/03/17/14/632031714.db2.gz HHZKHAKESZRPRG-CQSZACIVSA-N 1 0 307.434 3.357 20 10 DGCDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000850099695 632056108 /nfs/dbraw/zinc/05/61/08/632056108.db2.gz UINCBQVJBBBMPD-UHFFFAOYSA-N 1 0 324.472 3.360 20 10 DGCDRO COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000850113793 632058805 /nfs/dbraw/zinc/05/88/05/632058805.db2.gz VWBMTQZPGSGMQR-AWEZNQCLSA-N 1 0 301.386 3.096 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(C)n2C)cc1F ZINC000850128454 632061775 /nfs/dbraw/zinc/06/17/75/632061775.db2.gz BXWSQKMAJQNDPJ-UHFFFAOYSA-N 1 0 304.413 3.004 20 10 DGCDRO CCC(CC)(CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850140123 632065017 /nfs/dbraw/zinc/06/50/17/632065017.db2.gz VNYOGIRVFBTEFN-UHFFFAOYSA-N 1 0 309.450 3.339 20 10 DGCDRO CC[C@H](O)CCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850157614 632067726 /nfs/dbraw/zinc/06/77/26/632067726.db2.gz SMDQZGIHPPPXEH-AWEZNQCLSA-N 1 0 309.450 3.339 20 10 DGCDRO COc1cc(C[NH2+][C@@H](CCO)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850159625 632068545 /nfs/dbraw/zinc/06/85/45/632068545.db2.gz IUUAEPQVIIAWPQ-INIZCTEOSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+]CC(C)(C)CCO)c(O)c(C(C)(C)C)c1 ZINC000850167654 632069666 /nfs/dbraw/zinc/06/96/66/632069666.db2.gz HAIZOKWZRHSFIK-UHFFFAOYSA-N 1 0 309.450 3.197 20 10 DGCDRO CC[NH+](CC)CCOc1ccccc1NCc1nc(C)c(C)[nH]1 ZINC000850203594 632078410 /nfs/dbraw/zinc/07/84/10/632078410.db2.gz FVQZSEZYVIHMOF-UHFFFAOYSA-N 1 0 316.449 3.359 20 10 DGCDRO COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850244751 632092347 /nfs/dbraw/zinc/09/23/47/632092347.db2.gz CJMWRWDEUMCQRW-KZULUSFZSA-N 1 0 307.434 3.355 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H](CO)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850298184 632107988 /nfs/dbraw/zinc/10/79/88/632107988.db2.gz TYNABHPYSSBTAF-AWEZNQCLSA-N 1 0 309.450 3.052 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1 ZINC000850341805 632117919 /nfs/dbraw/zinc/11/79/19/632117919.db2.gz ATBVTELVDHCNJW-IPLHWJFFSA-N 1 0 301.478 3.228 20 10 DGCDRO COc1ccsc1C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346718 632119803 /nfs/dbraw/zinc/11/98/03/632119803.db2.gz IOQNWQJSHSASDL-CYBMUJFWSA-N 1 0 318.442 3.134 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(F)cccc3F)C2)cc1 ZINC000850346358 632119895 /nfs/dbraw/zinc/11/98/95/632119895.db2.gz SEKVNSHELFRRLN-ZDUSSCGKSA-N 1 0 318.367 3.342 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccccc3F)C2)cc1 ZINC000850345557 632120147 /nfs/dbraw/zinc/12/01/47/632120147.db2.gz DUOFQGHBFPXQMW-OAHLLOKOSA-N 1 0 300.377 3.203 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)cc1 ZINC000850345865 632120257 /nfs/dbraw/zinc/12/02/57/632120257.db2.gz MQXIYWLXYXHVSO-MRXNPFEDSA-N 1 0 300.377 3.203 20 10 DGCDRO CCc1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000850347301 632120677 /nfs/dbraw/zinc/12/06/77/632120677.db2.gz PZUWYMCJWIXSFR-CQSZACIVSA-N 1 0 300.402 3.219 20 10 DGCDRO CN(C)c1ccc(/C=C/CN[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000850351015 632121627 /nfs/dbraw/zinc/12/16/27/632121627.db2.gz JTCQYCFTRKUNFB-LXXRFIIISA-N 1 0 301.478 3.228 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)c2ncnn21 ZINC000850352457 632123044 /nfs/dbraw/zinc/12/30/44/632123044.db2.gz XBRRRFKXHFFGJI-GUYCJALGSA-N 1 0 320.396 3.446 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1 ZINC000850354953 632123986 /nfs/dbraw/zinc/12/39/86/632123986.db2.gz DVZCHFPCOJCGSH-BPAALRNMSA-N 1 0 320.502 3.045 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)c1cccc(OC)c1 ZINC000850361837 632126178 /nfs/dbraw/zinc/12/61/78/632126178.db2.gz FTKCGGKRVGRWFO-SFHVURJKSA-N 1 0 315.413 3.495 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c(O)c1 ZINC000850411588 632144017 /nfs/dbraw/zinc/14/40/17/632144017.db2.gz GCBXEDXFDFINGF-KUHUBIRLSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1C ZINC000850416668 632145685 /nfs/dbraw/zinc/14/56/85/632145685.db2.gz NVYWFKORWJKYKW-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1C ZINC000850417193 632145794 /nfs/dbraw/zinc/14/57/94/632145794.db2.gz PBBWFWQHRMJSCX-AWEZNQCLSA-N 1 0 322.449 3.354 20 10 DGCDRO C[C@H](O)[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850419851 632146648 /nfs/dbraw/zinc/14/66/48/632146648.db2.gz HZKXGZLGJDRDLA-IFABGAQTSA-N 1 0 310.441 3.478 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)c1 ZINC000850420599 632147455 /nfs/dbraw/zinc/14/74/55/632147455.db2.gz PUCRBIPBKPZWFE-SCLBCKFNSA-N 1 0 301.386 3.003 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2F)CC1 ZINC000850427159 632149399 /nfs/dbraw/zinc/14/93/99/632149399.db2.gz ODTVSWVNZUOHBQ-GOSISDBHSA-N 1 0 318.436 3.209 20 10 DGCDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850430155 632150373 /nfs/dbraw/zinc/15/03/73/632150373.db2.gz IVFTTYZOPPXQMY-ZDUSSCGKSA-N 1 0 324.440 3.349 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000850474256 632163517 /nfs/dbraw/zinc/16/35/17/632163517.db2.gz KXZWEUQQHAUWSA-CRAIPNDOSA-N 1 0 300.446 3.444 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C3(OC)CCC3)C2)cc1 ZINC000850475294 632164524 /nfs/dbraw/zinc/16/45/24/632164524.db2.gz YXQGEDFSZUUNDS-JKSUJKDBSA-N 1 0 318.461 3.069 20 10 DGCDRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(Br)cc1O ZINC000850483592 632166060 /nfs/dbraw/zinc/16/60/60/632166060.db2.gz ZUDVJOCXLINFBO-MWLCHTKSSA-N 1 0 314.223 3.373 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000850484263 632166951 /nfs/dbraw/zinc/16/69/51/632166951.db2.gz FYGLXESRPKOLPD-HZUKXOBISA-N 1 0 313.825 3.138 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000850487140 632167585 /nfs/dbraw/zinc/16/75/85/632167585.db2.gz GJQVORLNWIVZII-VQIMIIECSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000850488134 632168235 /nfs/dbraw/zinc/16/82/35/632168235.db2.gz QKIAABOQFKMGCE-KFKAGJAMSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cscn3)C2)cc1 ZINC000850487755 632168242 /nfs/dbraw/zinc/16/82/42/632168242.db2.gz JFROPCAAZVZXBL-OLZOCXBDSA-N 1 0 303.431 3.081 20 10 DGCDRO COC[C@@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 ZINC000850489465 632168253 /nfs/dbraw/zinc/16/82/53/632168253.db2.gz USHXXSIDPCDGOY-VQIMIIECSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000850489183 632168465 /nfs/dbraw/zinc/16/84/65/632168465.db2.gz WGENMJRGCYZOIY-GJZGRUSLSA-N 1 0 306.475 3.149 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3csc(C)n3)C2)cc1 ZINC000850489140 632168524 /nfs/dbraw/zinc/16/85/24/632168524.db2.gz RFPDRPQXVOEEQJ-GXTWGEPZSA-N 1 0 317.458 3.390 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(OC)c1 ZINC000850512786 632175426 /nfs/dbraw/zinc/17/54/26/632175426.db2.gz BACIKKPNOQVUCH-SJORKVTESA-N 1 0 313.397 3.365 20 10 DGCDRO COc1ccnc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1F ZINC000850538304 632186239 /nfs/dbraw/zinc/18/62/39/632186239.db2.gz YHBMPKLMZQJAFA-GFCCVEGCSA-N 1 0 304.365 3.403 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCN(C3CCCCC3)C1)CC2 ZINC000850538926 632186802 /nfs/dbraw/zinc/18/68/02/632186802.db2.gz OGWGKIGDIHOKQL-RDJZCZTQSA-N 1 0 300.446 3.376 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cc2c(cc1O)CCCC2 ZINC000850547770 632189205 /nfs/dbraw/zinc/18/92/05/632189205.db2.gz WAFZDMJSCDSHDO-JBBXEZCESA-N 1 0 301.430 3.225 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC2(O)CCC(C)(C)CC2)c1O ZINC000850551394 632190117 /nfs/dbraw/zinc/19/01/17/632190117.db2.gz HRYXKKKVYQJRTH-CYBMUJFWSA-N 1 0 307.434 3.383 20 10 DGCDRO CNC(=O)CC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCCC1 ZINC000850553953 632191217 /nfs/dbraw/zinc/19/12/17/632191217.db2.gz ABXAUPYXVXSYQL-OAHLLOKOSA-N 1 0 316.445 3.056 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000850567169 632196542 /nfs/dbraw/zinc/19/65/42/632196542.db2.gz XTFSRFLECJPUHP-OAHLLOKOSA-N 1 0 302.462 3.316 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c1O ZINC000850571765 632198092 /nfs/dbraw/zinc/19/80/92/632198092.db2.gz AFCMEQVGFSMWCF-KEYYUXOJSA-N 1 0 315.413 3.216 20 10 DGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000850572131 632198516 /nfs/dbraw/zinc/19/85/16/632198516.db2.gz BLNMGQLIYQCCLZ-FHSNZYRGSA-N 1 0 303.377 3.347 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000850583522 632201980 /nfs/dbraw/zinc/20/19/80/632201980.db2.gz OLSNBFBEGRYOCI-VFZGTOFNSA-N 1 0 311.303 3.194 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](OC)[C@H]2CCOC2)cc1 ZINC000851717018 632473868 /nfs/dbraw/zinc/47/38/68/632473868.db2.gz UKHJWWQRUFHZGV-PKOBYXMFSA-N 1 0 320.477 3.016 20 10 DGCDRO COc1ccc(N2CCC[N@@H+](C[C@H](OC)C3CCC3)CC2)cc1 ZINC000851732711 632478025 /nfs/dbraw/zinc/47/80/25/632478025.db2.gz BCTJZNBBAQXLPP-IBGZPJMESA-N 1 0 318.461 3.022 20 10 DGCDRO CCCCN(Cc1ccccc1O)[C@@H](C)c1nnc(CC)[nH]1 ZINC000852018260 632540388 /nfs/dbraw/zinc/54/03/88/632540388.db2.gz KTAWZVQMKPUFCZ-ZDUSSCGKSA-N 1 0 302.422 3.436 20 10 DGCDRO CCCCN(Cc1ccccc1O)[C@H](C)c1nnc(CC)[nH]1 ZINC000852018259 632540599 /nfs/dbraw/zinc/54/05/99/632540599.db2.gz KTAWZVQMKPUFCZ-CYBMUJFWSA-N 1 0 302.422 3.436 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCCCCC2=O)c1 ZINC000184867429 660193028 /nfs/dbraw/zinc/19/30/28/660193028.db2.gz SSULEAFOWSBZFU-HNNXBMFYSA-N 1 0 304.434 3.144 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c(O)c1 ZINC000185164386 660205612 /nfs/dbraw/zinc/20/56/12/660205612.db2.gz YFHVFKAGILHVRG-HUUCEWRRSA-N 1 0 310.397 3.157 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000185314004 660215087 /nfs/dbraw/zinc/21/50/87/660215087.db2.gz YCNOBGHRYFVWLB-ZDUSSCGKSA-N 1 0 308.422 3.218 20 10 DGCDRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)C2 ZINC000185334750 660215551 /nfs/dbraw/zinc/21/55/51/660215551.db2.gz BHRHPJRVPOOGAD-HIFRSBDPSA-N 1 0 313.397 3.364 20 10 DGCDRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)C2 ZINC000185334766 660215641 /nfs/dbraw/zinc/21/56/41/660215641.db2.gz BHRHPJRVPOOGAD-ZFWWWQNUSA-N 1 0 313.397 3.364 20 10 DGCDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185530587 660227286 /nfs/dbraw/zinc/22/72/86/660227286.db2.gz TYRKPMCVORRIKX-SWLSCSKDSA-N 1 0 309.475 3.036 20 10 DGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000072953291 660232027 /nfs/dbraw/zinc/23/20/27/660232027.db2.gz LTBPNKYAIJJSGY-UHFFFAOYSA-N 1 0 310.441 3.464 20 10 DGCDRO C/C=C(/C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998880482 660401066 /nfs/dbraw/zinc/40/10/66/660401066.db2.gz IBLIMPBJNMTIHV-OTMHGDBASA-N 1 0 316.445 3.050 20 10 DGCDRO CC(C)(C)OC(=O)N1CC[C@@](C)([NH2+]Cc2cc(F)ccc2O)C1 ZINC000701874554 660689747 /nfs/dbraw/zinc/68/97/47/660689747.db2.gz ATTZXXRONQSAHO-QGZVFWFLSA-N 1 0 324.396 3.020 20 10 DGCDRO CC[C@@H]([NH2+]CCOCCF)c1cc(Br)ccc1O ZINC000705781129 660838635 /nfs/dbraw/zinc/83/86/35/660838635.db2.gz PPUUVBUPWLJONJ-GFCCVEGCSA-N 1 0 320.202 3.182 20 10 DGCDRO COC1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706863891 660875090 /nfs/dbraw/zinc/87/50/90/660875090.db2.gz XNQOIXQJMCBEPN-UHFFFAOYSA-N 1 0 314.223 3.202 20 10 DGCDRO CC[C@@](C)(C[NH2+]Cc1c(O)cccc1Br)OC ZINC000706872235 660875835 /nfs/dbraw/zinc/87/58/35/660875835.db2.gz OKURGNQMOMSVMO-ZDUSSCGKSA-N 1 0 302.212 3.059 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CS1 ZINC000706872012 660875926 /nfs/dbraw/zinc/87/59/26/660875926.db2.gz BOTHUCYTMRRFLX-IUCAKERBSA-N 1 0 302.237 3.138 20 10 DGCDRO COC[C@]1(C)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707165976 660892523 /nfs/dbraw/zinc/89/25/23/660892523.db2.gz MZBHCECPBJYARR-CQSZACIVSA-N 1 0 314.223 3.013 20 10 DGCDRO CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001036477208 660910274 /nfs/dbraw/zinc/91/02/74/660910274.db2.gz LAZFIZAFCCYHNO-WMLDXEAASA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@@H]1COCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792827283 660986980 /nfs/dbraw/zinc/98/69/80/660986980.db2.gz BLVJAGUHJAEYQL-LBPRGKRZSA-N 1 0 316.367 3.240 20 10 DGCDRO Cc1ccc(CCC[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000792938915 660995447 /nfs/dbraw/zinc/99/54/47/660995447.db2.gz GXOXESXHLQYQKC-UHFFFAOYSA-N 1 0 301.409 3.318 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccnn2-c2ccccc2C)c1 ZINC000792985322 660998480 /nfs/dbraw/zinc/99/84/80/660998480.db2.gz YBMCDNLLUGYFKD-UHFFFAOYSA-N 1 0 323.396 3.185 20 10 DGCDRO CC(C)n1nccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000793075577 661003630 /nfs/dbraw/zinc/00/36/30/661003630.db2.gz XXVXQWCYIRSEBA-UHFFFAOYSA-N 1 0 316.449 3.041 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]2(C)CO)c(C(F)(F)F)c1 ZINC000793157878 661008360 /nfs/dbraw/zinc/00/83/60/661008360.db2.gz KKHWGFZJDCKADP-OAHLLOKOSA-N 1 0 316.367 3.118 20 10 DGCDRO CCOc1ccc(C[NH2+]CC2(OC)CCC(C)CC2)c(O)c1 ZINC000793289667 661021475 /nfs/dbraw/zinc/02/14/75/661021475.db2.gz BTDTVQCHWAMLGN-UHFFFAOYSA-N 1 0 307.434 3.476 20 10 DGCDRO CCn1nc(C[NH2+]Cc2ccc(OC)cc2O)c2ccccc21 ZINC000793386447 661029269 /nfs/dbraw/zinc/02/92/69/661029269.db2.gz QKGIJSXYHWHBNL-UHFFFAOYSA-N 1 0 311.385 3.060 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1 ZINC000793388687 661029337 /nfs/dbraw/zinc/02/93/37/661029337.db2.gz FFTTUTFCRKVXLX-IBGZPJMESA-N 1 0 317.477 3.010 20 10 DGCDRO COc1ccc2oc(C[NH2+]Cc3ccc(OC)cc3O)cc2c1 ZINC000793387330 661029359 /nfs/dbraw/zinc/02/93/59/661029359.db2.gz DFMHJJAUAHLNPV-UHFFFAOYSA-N 1 0 313.353 3.445 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c(O)c1 ZINC000793609007 661049400 /nfs/dbraw/zinc/04/94/00/661049400.db2.gz MPHMOWVYQWCPIP-UHFFFAOYSA-N 1 0 315.417 3.202 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1C(C)C ZINC000794707405 661100434 /nfs/dbraw/zinc/10/04/34/661100434.db2.gz RWIORVCONDVEOQ-DNVCBOLYSA-N 1 0 319.445 3.204 20 10 DGCDRO CC[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(C)cc1O ZINC000794811619 661106716 /nfs/dbraw/zinc/10/67/16/661106716.db2.gz SLUOFBOARFAUMS-OAHLLOKOSA-N 1 0 320.433 3.361 20 10 DGCDRO C[C@H]([NH2+]CCN1CC=CCC1)c1cc2c(cc1O)CCCC2 ZINC000794836190 661108829 /nfs/dbraw/zinc/10/88/29/661108829.db2.gz SNMXCFTZCCCXRU-HNNXBMFYSA-N 1 0 300.446 3.184 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC=C(c3ccncc3)C2)c1O ZINC000795737182 661170344 /nfs/dbraw/zinc/17/03/44/661170344.db2.gz ZRVNIJNKEKOGDL-UHFFFAOYSA-N 1 0 310.397 3.394 20 10 DGCDRO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)n1 ZINC000795750996 661171208 /nfs/dbraw/zinc/17/12/08/661171208.db2.gz AYKJTPLHRQZFAJ-INIZCTEOSA-N 1 0 313.401 3.300 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000326377119 655719989 /nfs/dbraw/zinc/71/99/89/655719989.db2.gz XBHXGDHVXAJRRO-UHFFFAOYSA-N 1 0 323.440 3.018 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1cc(F)ccc1O ZINC000176985414 655885723 /nfs/dbraw/zinc/88/57/23/655885723.db2.gz MPBLSABUNJLDLM-WDEREUQCSA-N 1 0 317.364 3.434 20 10 DGCDRO Nc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000309942389 655888096 /nfs/dbraw/zinc/88/80/96/655888096.db2.gz XTVAXSAFSBCBLN-GOSISDBHSA-N 1 0 324.428 3.055 20 10 DGCDRO Nc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000309942390 655888124 /nfs/dbraw/zinc/88/81/24/655888124.db2.gz XTVAXSAFSBCBLN-SFHVURJKSA-N 1 0 324.428 3.055 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)CCOc2ccccc2C)c1 ZINC000179620692 656086253 /nfs/dbraw/zinc/08/62/53/656086253.db2.gz HPAMVHSRBKSFKX-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000236676801 656113621 /nfs/dbraw/zinc/11/36/21/656113621.db2.gz LTISOUGZWPHBQU-UXHICEINSA-N 1 0 313.489 3.393 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCCCC2=O)c(O)c1 ZINC000184867782 656121943 /nfs/dbraw/zinc/12/19/43/656121943.db2.gz BPIRSGZBBPKIGM-HNNXBMFYSA-N 1 0 304.434 3.144 20 10 DGCDRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2O)CCN1Cc1ccccc1 ZINC000309849987 656122487 /nfs/dbraw/zinc/12/24/87/656122487.db2.gz ZTJAVIMYEJJSHB-KSSFIOAISA-N 1 0 314.404 3.284 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)c1 ZINC000185227466 656124911 /nfs/dbraw/zinc/12/49/11/656124911.db2.gz CZFALPPDSJLXRN-HUUCEWRRSA-N 1 0 306.450 3.172 20 10 DGCDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000296660272 656168390 /nfs/dbraw/zinc/16/83/90/656168390.db2.gz ZRWRJBDZXFBWCL-FCEWJHQRSA-N 1 0 320.477 3.235 20 10 DGCDRO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000931256364 656193762 /nfs/dbraw/zinc/19/37/62/656193762.db2.gz XUJNONVFVOQBOR-AWEZNQCLSA-N 1 0 310.388 3.143 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000125400424 656287531 /nfs/dbraw/zinc/28/75/31/656287531.db2.gz QZAOOFAARRFGSS-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC000980307255 656483923 /nfs/dbraw/zinc/48/39/23/656483923.db2.gz OGSMYVSAUWYJSE-DOTOQJQBSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1cc(Cl)cc(CN2CC[NH2+]Cc3ccccc32)c1O ZINC000317344026 656607749 /nfs/dbraw/zinc/60/77/49/656607749.db2.gz BMXLAFLNMBIJLA-UHFFFAOYSA-N 1 0 318.804 3.164 20 10 DGCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCC=CO1 ZINC000248741487 657034481 /nfs/dbraw/zinc/03/44/81/657034481.db2.gz AENZKKSRNXWOJH-SJORKVTESA-N 1 0 303.402 3.066 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCOC3(CCCCC3)C2)c1O ZINC000178895029 657111190 /nfs/dbraw/zinc/11/11/90/657111190.db2.gz IPTIVZCWFPABOW-UHFFFAOYSA-N 1 0 305.418 3.244 20 10 DGCDRO COc1cc(C[NH+]2CCC(C)(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000178900356 657122656 /nfs/dbraw/zinc/12/26/56/657122656.db2.gz MFNFCBUYOSHCSB-UHFFFAOYSA-N 1 0 307.434 3.045 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1O ZINC000319723036 657162111 /nfs/dbraw/zinc/16/21/11/657162111.db2.gz BEWQXUOWOKRQRB-INIZCTEOSA-N 1 0 318.461 3.470 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000237205186 657379684 /nfs/dbraw/zinc/37/96/84/657379684.db2.gz YKUCKJUFFUKXAS-UHFFFAOYSA-N 1 0 309.312 3.292 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C(C)(C)C)C2)cc1C ZINC000985060679 657540555 /nfs/dbraw/zinc/54/05/55/657540555.db2.gz KUARAZHTZSKNIS-WKILWMFISA-N 1 0 318.461 3.034 20 10 DGCDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000305161540 657691188 /nfs/dbraw/zinc/69/11/88/657691188.db2.gz XDARESDPBNCLRW-CQSZACIVSA-N 1 0 306.425 3.382 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000228668878 658000134 /nfs/dbraw/zinc/00/01/34/658000134.db2.gz QYSHUMGZODRFKE-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2F)c1 ZINC000305767941 658039059 /nfs/dbraw/zinc/03/90/59/658039059.db2.gz IHBJKBGYBRQLOR-QGHHPUGFSA-N 1 0 323.339 3.063 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccccc1O ZINC000305789772 658046335 /nfs/dbraw/zinc/04/63/35/658046335.db2.gz ZNORINLQPLTBOS-ZBFHGGJFSA-N 1 0 307.340 3.445 20 10 DGCDRO CC[C@H](C)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000989967975 658647959 /nfs/dbraw/zinc/64/79/59/658647959.db2.gz PKARTHHZWHINPP-AWEZNQCLSA-N 1 0 318.461 3.130 20 10 DGCDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)N(C)C ZINC000192953307 658825699 /nfs/dbraw/zinc/82/56/99/658825699.db2.gz KVEUZDATKZKMMH-GUYCJALGSA-N 1 0 308.466 3.418 20 10 DGCDRO Cc1noc([C@H]2CCC[N@H+](Cc3cc(C)cc(C)c3O)C2)n1 ZINC000164210105 658921918 /nfs/dbraw/zinc/92/19/18/658921918.db2.gz FJBQXXDZWGXVNE-AWEZNQCLSA-N 1 0 301.390 3.080 20 10 DGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164264934 658923078 /nfs/dbraw/zinc/92/30/78/658923078.db2.gz WMVWBKJDUWHRML-MRXNPFEDSA-N 1 0 318.461 3.137 20 10 DGCDRO CC[C@@H]([NH2+]CCCNC(=O)c1occc1C)c1ccccc1O ZINC000156644358 658931941 /nfs/dbraw/zinc/93/19/41/658931941.db2.gz NUVDVXIONGPLKO-OAHLLOKOSA-N 1 0 316.401 3.154 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000157501239 659064948 /nfs/dbraw/zinc/06/49/48/659064948.db2.gz BWFYZSFQCMAUJG-UHFFFAOYSA-N 1 0 306.425 3.427 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1F ZINC000157857030 659111432 /nfs/dbraw/zinc/11/14/32/659111432.db2.gz ARAQLWIIPSFBIM-GOSISDBHSA-N 1 0 320.383 3.028 20 10 DGCDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000158009652 659132501 /nfs/dbraw/zinc/13/25/01/659132501.db2.gz DHHDRCNAFXYNKV-GJZGRUSLSA-N 1 0 306.425 3.140 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000227689290 659161665 /nfs/dbraw/zinc/16/16/65/659161665.db2.gz SQTGKCDANSEYRX-ZIAGYGMSSA-N 1 0 321.465 3.316 20 10 DGCDRO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000171937752 659307666 /nfs/dbraw/zinc/30/76/66/659307666.db2.gz VDBKGQUYBWMJPF-CQSZACIVSA-N 1 0 312.413 3.414 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)c2nccs2)c1O ZINC000230935869 659359309 /nfs/dbraw/zinc/35/93/09/659359309.db2.gz MGACHUNJQJBBDD-VIFPVBQESA-N 1 0 312.822 3.404 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000089726496 659459952 /nfs/dbraw/zinc/45/99/52/659459952.db2.gz HXPORVNVTXGLNT-LLVKDONJSA-N 1 0 302.330 3.160 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C(C)C)C2)cc1C ZINC000994771834 659924982 /nfs/dbraw/zinc/92/49/82/659924982.db2.gz RFYUKKGYBOEAOL-DLBZAZTESA-N 1 0 318.461 3.034 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000179887955 659945841 /nfs/dbraw/zinc/94/58/41/659945841.db2.gz PXZVHAKJGAVGAI-GOSISDBHSA-N 1 0 316.445 3.204 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCOC3(CCCCC3)C2)c1O ZINC000179935053 659946528 /nfs/dbraw/zinc/94/65/28/659946528.db2.gz ODJSKVSUGMCUQC-UHFFFAOYSA-N 1 0 305.418 3.326 20 10 DGCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000180067786 659951488 /nfs/dbraw/zinc/95/14/88/659951488.db2.gz BAYUXPSARSMERA-OAHLLOKOSA-N 1 0 320.433 3.142 20 10 DGCDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182315394 660042201 /nfs/dbraw/zinc/04/22/01/660042201.db2.gz KUKWALXSQLSYIN-LBPRGKRZSA-N 1 0 315.369 3.038 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C)c2ccccc2)c1 ZINC000182394172 660049962 /nfs/dbraw/zinc/04/99/62/660049962.db2.gz QEDBKIMXRVLLHT-AWEZNQCLSA-N 1 0 300.402 3.188 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000182432923 660051989 /nfs/dbraw/zinc/05/19/89/660051989.db2.gz WBTAHSYGLHBVNC-LBPRGKRZSA-N 1 0 316.357 3.468 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3ccccc3[nH]c2=O)c1 ZINC000182464581 660055362 /nfs/dbraw/zinc/05/53/62/660055362.db2.gz LOUSNLPNFBMKHJ-LBPRGKRZSA-N 1 0 324.380 3.093 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3ccccc3[nH]c2=O)c1 ZINC000182464603 660055557 /nfs/dbraw/zinc/05/55/57/660055557.db2.gz LOUSNLPNFBMKHJ-GFCCVEGCSA-N 1 0 324.380 3.093 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1O ZINC000183209575 660104490 /nfs/dbraw/zinc/10/44/90/660104490.db2.gz DYOMLPRECVZRFY-KRWDZBQOSA-N 1 0 301.361 3.493 20 10 DGCDRO C[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@H](c2ccccc2)C1 ZINC000183246794 660106449 /nfs/dbraw/zinc/10/64/49/660106449.db2.gz VXNCAXFSCOJEFV-KRWDZBQOSA-N 1 0 300.377 3.020 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccccc1O ZINC000183396440 660109560 /nfs/dbraw/zinc/10/95/60/660109560.db2.gz RPNHUDORTLBRQN-HNNXBMFYSA-N 1 0 307.397 3.488 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1ccccc1O ZINC000183409676 660110158 /nfs/dbraw/zinc/11/01/58/660110158.db2.gz QGJIRGVNOFOJNI-OAHLLOKOSA-N 1 0 324.424 3.365 20 10 DGCDRO C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1O ZINC000183674613 660130118 /nfs/dbraw/zinc/13/01/18/660130118.db2.gz XOBFUYAZOINBES-OAHLLOKOSA-N 1 0 311.429 3.317 20 10 DGCDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)cnc1Br ZINC000929976032 661355002 /nfs/dbraw/zinc/35/50/02/661355002.db2.gz LRTIPNUKKHVRSA-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929976235 661355052 /nfs/dbraw/zinc/35/50/52/661355052.db2.gz MKYPESAXGKCUEG-OCCSQVGLSA-N 1 0 303.324 3.324 20 10 DGCDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931330833 661468243 /nfs/dbraw/zinc/46/82/43/661468243.db2.gz BSSNTIYNMCZHIL-HKUYNNGSSA-N 1 0 300.446 3.288 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)cc1 ZINC000931680069 661496899 /nfs/dbraw/zinc/49/68/99/661496899.db2.gz LTQLEZPUENKUIB-UHFFFAOYSA-N 1 0 310.445 3.303 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155949123 661855718 /nfs/dbraw/zinc/85/57/18/661855718.db2.gz UNGAOZUVOOMGOX-CQSZACIVSA-N 1 0 318.392 3.149 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCCO2)c1O ZINC000048949093 661897711 /nfs/dbraw/zinc/89/77/11/661897711.db2.gz YZGOBBYNKBZSSV-CQSZACIVSA-N 1 0 311.809 3.249 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1O ZINC000188038506 661912191 /nfs/dbraw/zinc/91/21/91/661912191.db2.gz RTRVCERRJMTZTR-SFHVURJKSA-N 1 0 307.434 3.164 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCCCCC1 ZINC000076074507 661966568 /nfs/dbraw/zinc/96/65/68/661966568.db2.gz RQCNLKNOWOWRPU-MRXNPFEDSA-N 1 0 318.461 3.395 20 10 DGCDRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2O)CCCN1C(=O)OC(C)(C)C ZINC000189520860 661981151 /nfs/dbraw/zinc/98/11/51/661981151.db2.gz VKDSPHKENGNHLX-UKRRQHHQSA-N 1 0 320.433 3.270 20 10 DGCDRO COC[C@@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000190218108 662023401 /nfs/dbraw/zinc/02/34/01/662023401.db2.gz WSQFWLLCDDRWNI-HOCLYGCPSA-N 1 0 321.461 3.234 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000191606130 662074286 /nfs/dbraw/zinc/07/42/86/662074286.db2.gz JDRJLHPNSRDGQT-LPHOPBHVSA-N 1 0 312.457 3.315 20 10 DGCDRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000194559437 662168872 /nfs/dbraw/zinc/16/88/72/662168872.db2.gz MEWIYJHATMOZKR-ZDUSSCGKSA-N 1 0 300.402 3.112 20 10 DGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000090404238 662261983 /nfs/dbraw/zinc/26/19/83/662261983.db2.gz XRVFMHRXSGNRLZ-CYBMUJFWSA-N 1 0 317.458 3.139 20 10 DGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000090891322 662284716 /nfs/dbraw/zinc/28/47/16/662284716.db2.gz UWYOEDWRGMCKHJ-AUUYWEPGSA-N 1 0 316.420 3.450 20 10 DGCDRO CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001037121876 662307967 /nfs/dbraw/zinc/30/79/67/662307967.db2.gz GMWFBDLOODKGRU-IAGOWNOFSA-N 1 0 318.461 3.178 20 10 DGCDRO CCC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1ccccc1O ZINC000247575827 662326055 /nfs/dbraw/zinc/32/60/55/662326055.db2.gz SEXOQRJURNCEKB-HZPDHXFCSA-N 1 0 318.461 3.394 20 10 DGCDRO CCOc1ccc(O)c(CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000092219115 662328544 /nfs/dbraw/zinc/32/85/44/662328544.db2.gz QEQSRXRCSYJQGF-KRWDZBQOSA-N 1 0 318.461 3.241 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000092253910 662329180 /nfs/dbraw/zinc/32/91/80/662329180.db2.gz YBYOAUOXGSWUAM-SFHVURJKSA-N 1 0 303.494 3.306 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC)Cc2cnn(C)c2)cc1 ZINC000092438194 662330983 /nfs/dbraw/zinc/33/09/83/662330983.db2.gz OCKLMHQEMFSKQS-UHFFFAOYSA-N 1 0 300.450 3.288 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000248499028 662350395 /nfs/dbraw/zinc/35/03/95/662350395.db2.gz MMCDUNGKCRKZNA-PSVSLLHZSA-N 1 0 307.340 3.443 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(OC(C)=O)CC2)cc1F ZINC000093453880 662355204 /nfs/dbraw/zinc/35/52/04/662355204.db2.gz OVZHYFRKCDEYOO-UHFFFAOYSA-N 1 0 322.424 3.199 20 10 DGCDRO COCCCOC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093561401 662357078 /nfs/dbraw/zinc/35/70/78/662357078.db2.gz HIRYHHZGWHMZEH-UHFFFAOYSA-N 1 0 313.825 3.063 20 10 DGCDRO CC(C)SCC[NH2+]Cc1cc(Br)ccc1O ZINC000380749737 685153804 /nfs/dbraw/zinc/15/38/04/685153804.db2.gz TZJXJCLVFIJEGJ-UHFFFAOYSA-N 1 0 304.253 3.386 20 10 DGCDRO CCC1([NH2+]Cc2cc(Br)ccc2O)CCOCC1 ZINC000389433425 685193376 /nfs/dbraw/zinc/19/33/76/685193376.db2.gz VTOHDDXZIIKWHJ-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001576480751 1191827827 /nfs/dbraw/zinc/82/78/27/1191827827.db2.gz NZXSTEONNHEHST-NSHDSACASA-N 1 0 300.805 3.053 20 10 DGCDRO CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc(N)cc1 ZINC001577665629 1191911750 /nfs/dbraw/zinc/91/17/50/1191911750.db2.gz JKSBKWVHKPVGLO-UHFFFAOYSA-N 1 0 319.355 3.008 20 10 DGCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N)cc2)cc1 ZINC001577693341 1191912032 /nfs/dbraw/zinc/91/20/32/1191912032.db2.gz WAZPXJSSWKOSDU-UHFFFAOYSA-N 1 0 311.429 3.041 20 10 DGCDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001578638927 1191950067 /nfs/dbraw/zinc/95/00/67/1191950067.db2.gz XXEDGDOHXWZCJJ-CQSZACIVSA-N 1 0 313.445 3.049 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H](O)CC(C)(C)C)ccc1OC ZINC001620796234 1192031657 /nfs/dbraw/zinc/03/16/57/1192031657.db2.gz DTTLNHFOULEDPH-MRXNPFEDSA-N 1 0 309.450 3.118 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC([NH+]3CCCC3)C2)cc1 ZINC001584141846 1192180349 /nfs/dbraw/zinc/18/03/49/1192180349.db2.gz PBSVKSWVSRXNOR-UHFFFAOYSA-N 1 0 323.440 3.014 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@]1(N(C)C)CCSC1 ZINC001620824877 1192205835 /nfs/dbraw/zinc/20/58/35/1192205835.db2.gz UFQPKXDWAZJBJR-GOSISDBHSA-N 1 0 317.502 3.014 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CO)CC2CCCC2)cc1F ZINC001620914801 1192595640 /nfs/dbraw/zinc/59/56/40/1192595640.db2.gz HEKBDTHEOQWLSK-AWEZNQCLSA-N 1 0 312.404 3.062 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)cc1F ZINC001331273131 1178170595 /nfs/dbraw/zinc/17/05/95/1178170595.db2.gz VQRDPKLDDPQBNF-IAGOWNOFSA-N 1 0 312.404 3.062 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)cc1F ZINC001331273133 1178171360 /nfs/dbraw/zinc/17/13/60/1178171360.db2.gz VQRDPKLDDPQBNF-IRXDYDNUSA-N 1 0 312.404 3.062 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCC2CC2)cc1C ZINC001331410081 1178206591 /nfs/dbraw/zinc/20/65/91/1178206591.db2.gz NJGVEWGRJAEUKC-OAHLLOKOSA-N 1 0 318.461 3.130 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC001331931717 1178311138 /nfs/dbraw/zinc/31/11/38/1178311138.db2.gz ASHILYUVRJOXJY-KBMXLJTQSA-N 1 0 315.413 3.283 20 10 DGCDRO [NH3+]CCN(CCc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001332358318 1178427026 /nfs/dbraw/zinc/42/70/26/1178427026.db2.gz HEHVOVUBBSFJRY-UHFFFAOYSA-N 1 0 323.484 3.290 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001335133786 1178858052 /nfs/dbraw/zinc/85/80/52/1178858052.db2.gz KTXLFLJHMFVEPM-CTYIDZIISA-N 1 0 320.433 3.094 20 10 DGCDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336116220 1178995379 /nfs/dbraw/zinc/99/53/79/1178995379.db2.gz DAOWOWCOGLYCMX-QGZVFWFLSA-N 1 0 317.477 3.177 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCOC1CCOCC1 ZINC001342407965 1179139401 /nfs/dbraw/zinc/13/94/01/1179139401.db2.gz KVBGZHYUFAHFFO-GOEBONIOSA-N 1 0 319.445 3.424 20 10 DGCDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001343089210 1179232524 /nfs/dbraw/zinc/23/25/24/1179232524.db2.gz KBLJKGQAVWXSGJ-IBGZPJMESA-N 1 0 302.462 3.271 20 10 DGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001343287879 1179252186 /nfs/dbraw/zinc/25/21/86/1179252186.db2.gz YOYVLWFSEHPQOT-FLFBIERCSA-N 1 0 312.457 3.142 20 10 DGCDRO C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC001343335255 1179258327 /nfs/dbraw/zinc/25/83/27/1179258327.db2.gz WLRVMTGTVHTLJN-HZSPNIEDSA-N 1 0 308.853 3.208 20 10 DGCDRO CCC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC[NH2+]CC1 ZINC001349321146 1179892826 /nfs/dbraw/zinc/89/28/26/1179892826.db2.gz YAOXXPPKCLKYRC-UHFFFAOYSA-N 1 0 301.478 3.251 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001349625450 1179923771 /nfs/dbraw/zinc/92/37/71/1179923771.db2.gz NPWWMYZJIHOVSU-NZSAHSFTSA-N 1 0 300.446 3.334 20 10 DGCDRO C[C@@]1(C2CC2)C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001350592647 1180090342 /nfs/dbraw/zinc/09/03/42/1180090342.db2.gz BBMJQWWLBVHSKH-IBGZPJMESA-N 1 0 300.446 3.288 20 10 DGCDRO Nc1ccc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC001352788638 1180399114 /nfs/dbraw/zinc/39/91/14/1180399114.db2.gz FTZFRPKKEGZGME-HXUWFJFHSA-N 1 0 310.441 3.493 20 10 DGCDRO Nc1ccc(CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cc1 ZINC001352791122 1180399888 /nfs/dbraw/zinc/39/98/88/1180399888.db2.gz VPIWTBHXVVQSBP-KRWDZBQOSA-N 1 0 301.821 3.069 20 10 DGCDRO CN(Cc1ccns1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC001353209796 1180495032 /nfs/dbraw/zinc/49/50/32/1180495032.db2.gz YKNVMHYTKCVDPA-UHFFFAOYSA-N 1 0 306.431 3.484 20 10 DGCDRO CCCC[C@@H](COC)[NH2+]Cc1c(O)cccc1Br ZINC001200630732 1180770354 /nfs/dbraw/zinc/77/03/54/1180770354.db2.gz LZAFWEQECPJSLD-NSHDSACASA-N 1 0 316.239 3.450 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c(O)c1OC ZINC001355253547 1181022334 /nfs/dbraw/zinc/02/23/34/1181022334.db2.gz SCWFOZWNQZLRJW-GFCCVEGCSA-N 1 0 319.405 3.038 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001355362025 1181043847 /nfs/dbraw/zinc/04/38/47/1181043847.db2.gz IFOBRMQTVAKSHM-OALUTQOASA-N 1 0 300.446 3.334 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC001459836178 1182621395 /nfs/dbraw/zinc/62/13/95/1182621395.db2.gz MOKXPWOGKNMPCD-SFHVURJKSA-N 1 0 302.393 3.369 20 10 DGCDRO Cc1cc(C[N@@H+]2CCN(C)[C@H](C(C)(C)C)C2)ccc1N(C)C ZINC001460329347 1182677741 /nfs/dbraw/zinc/67/77/41/1182677741.db2.gz PBRKDLOXLDXEDL-SFHVURJKSA-N 1 0 303.494 3.223 20 10 DGCDRO COCC1([N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)CCC1 ZINC001460734522 1182715294 /nfs/dbraw/zinc/71/52/94/1182715294.db2.gz RDDZCBOQTSPMAI-UHFFFAOYSA-N 1 0 311.809 3.249 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(N2CCCC2)n1 ZINC001461427922 1182813020 /nfs/dbraw/zinc/81/30/20/1182813020.db2.gz LQTWBVDJFGWFSU-UHFFFAOYSA-N 1 0 323.440 3.215 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001461682051 1182842638 /nfs/dbraw/zinc/84/26/38/1182842638.db2.gz IIJJXTJCPLCRDG-BFQNTYOBSA-N 1 0 307.434 3.354 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCN(C)CC23CCCCC3)c1O ZINC001461878920 1182869490 /nfs/dbraw/zinc/86/94/90/1182869490.db2.gz BBNPIFNSCIAIEW-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC001462179264 1182918922 /nfs/dbraw/zinc/91/89/22/1182918922.db2.gz NACHXLOEFQMLTE-SPYBWZPUSA-N 1 0 319.445 3.284 20 10 DGCDRO CCCN(Cc1cc(-c2ccccn2)n[nH]1)c1ccc(C[NH3+])cc1 ZINC001462192635 1182922642 /nfs/dbraw/zinc/92/26/42/1182922642.db2.gz XURNKGWOOCOPOV-UHFFFAOYSA-N 1 0 321.428 3.347 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc(F)cc2C)cc1 ZINC001462405745 1182947709 /nfs/dbraw/zinc/94/77/09/1182947709.db2.gz SGDNTLROZCZIPD-UHFFFAOYSA-N 1 0 317.408 3.106 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001462419227 1182950576 /nfs/dbraw/zinc/95/05/76/1182950576.db2.gz DYIKAENHGYXMRE-QXGSTGNESA-N 1 0 300.446 3.442 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001462457798 1182954925 /nfs/dbraw/zinc/95/49/25/1182954925.db2.gz ANQIBEGOQSTSRJ-HKUYNNGSSA-N 1 0 317.429 3.223 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC2CCC3(CC3)CC2)cc1OC ZINC001462483747 1182959796 /nfs/dbraw/zinc/95/97/96/1182959796.db2.gz XZLBIOHLWUZDAN-UHFFFAOYSA-N 1 0 305.418 3.469 20 10 DGCDRO CC[C@]1(O)CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001462497309 1182961319 /nfs/dbraw/zinc/96/13/19/1182961319.db2.gz WBINOVXAXLRCDH-IBGZPJMESA-N 1 0 321.461 3.435 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CC[C@H]2COC(C)(C)O2)C2CC2)cc1 ZINC001473114799 1183717554 /nfs/dbraw/zinc/71/75/54/1183717554.db2.gz HQCZPBNQGXJHLT-SFHVURJKSA-N 1 0 318.461 3.259 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(F)c1)c1ccccc1O ZINC001473723117 1183793305 /nfs/dbraw/zinc/79/33/05/1183793305.db2.gz YMLOSTBHMFZZKY-GFCCVEGCSA-N 1 0 302.349 3.211 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)ccc1N(C)C ZINC001473737493 1183795859 /nfs/dbraw/zinc/79/58/59/1183795859.db2.gz KRYFRZGGVIJHGU-UHOSZYNNSA-N 1 0 302.462 3.186 20 10 DGCDRO CCN(C)c1ccc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cc1 ZINC001473874070 1183816381 /nfs/dbraw/zinc/81/63/81/1183816381.db2.gz QVFVEJUYALOJHZ-TZIWHRDSSA-N 1 0 324.468 3.178 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC001473967892 1183839739 /nfs/dbraw/zinc/83/97/39/1183839739.db2.gz BVHBTMPKUJDLOU-AWEZNQCLSA-N 1 0 323.456 3.066 20 10 DGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474182489 1183878492 /nfs/dbraw/zinc/87/84/92/1183878492.db2.gz MLFVWXPDVCZHRC-QUCCMNQESA-N 1 0 309.409 3.414 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C(=O)OC(C)(C)C ZINC001474194480 1183879866 /nfs/dbraw/zinc/87/98/66/1183879866.db2.gz PZQFNVSVGWATDY-ZDUSSCGKSA-N 1 0 305.418 3.079 20 10 DGCDRO CC(C)(F)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001474231456 1183886883 /nfs/dbraw/zinc/88/68/83/1183886883.db2.gz YXOZWPWQAPTRGO-UHFFFAOYSA-N 1 0 309.385 3.423 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)O1 ZINC001474233560 1183887136 /nfs/dbraw/zinc/88/71/36/1183887136.db2.gz CKYFVEMDGIRUMO-UEKVPHQBSA-N 1 0 316.367 3.427 20 10 DGCDRO CCN(C(=O)C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC001474269779 1183892774 /nfs/dbraw/zinc/89/27/74/1183892774.db2.gz QPQNTSUEXOAKOI-UHFFFAOYSA-N 1 0 318.804 3.188 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC001474361026 1183910517 /nfs/dbraw/zinc/91/05/17/1183910517.db2.gz JEOMNUPXXWZPEV-AATRIKPKSA-N 1 0 300.446 3.411 20 10 DGCDRO CC[N@@H+]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H]1C ZINC001474380313 1183913195 /nfs/dbraw/zinc/91/31/95/1183913195.db2.gz OKQCUQVVPBSQPW-AWEZNQCLSA-N 1 0 320.477 3.224 20 10 DGCDRO COc1ccc(OCC[N@H+](C)Cc2ccc(C)cc2O)cc1 ZINC001474406629 1183917152 /nfs/dbraw/zinc/91/71/52/1183917152.db2.gz BAKNTJWQISOQJR-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c(O)c1 ZINC001474437122 1183922017 /nfs/dbraw/zinc/92/20/17/1183922017.db2.gz CRAXKEYCUOLUHK-CQSZACIVSA-N 1 0 313.397 3.492 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001474467415 1183926730 /nfs/dbraw/zinc/92/67/30/1183926730.db2.gz XTRLUXUDUUNZMC-SUQGKYDKSA-N 1 0 316.445 3.183 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H](CO)CC(C)(C)C)cc1 ZINC001474527273 1183936173 /nfs/dbraw/zinc/93/61/73/1183936173.db2.gz WMBJHXLCNHHNJN-JTHGQSKGSA-N 1 0 304.478 3.495 20 10 DGCDRO CNc1ccccc1C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001474612781 1183950331 /nfs/dbraw/zinc/95/03/31/1183950331.db2.gz QOQQMTDVGWYUMH-UHFFFAOYSA-N 1 0 313.445 3.305 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC001474716774 1183968182 /nfs/dbraw/zinc/96/81/82/1183968182.db2.gz SMCPNGXXEOMKKN-LBPRGKRZSA-N 1 0 316.367 3.382 20 10 DGCDRO CN(C)c1ccc(/C=C\CN(C)CC(C)(C)C[NH+](C)C)cc1 ZINC001474741340 1183971437 /nfs/dbraw/zinc/97/14/37/1183971437.db2.gz UDVAZVXOBURLFQ-HJWRWDBZSA-N 1 0 303.494 3.285 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC(C)C)C2)cc1C ZINC001506873056 1186301955 /nfs/dbraw/zinc/30/19/55/1186301955.db2.gz ZQNQKUBBAOAOPW-QAQDUYKDSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc(C)s3)CC2)cc1 ZINC000008697926 1193438558 /nfs/dbraw/zinc/43/85/58/1193438558.db2.gz DAAQYCMTVPHWCU-UHFFFAOYSA-N 1 0 302.443 3.387 20 10 DGCDRO CCC[C@H](CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001539235056 1188183435 /nfs/dbraw/zinc/18/34/35/1188183435.db2.gz JXWCPMSPSRYDJQ-MAUKXSAKSA-N 1 0 319.493 3.298 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](O)C2)ccc1N1CCCCC1 ZINC001616825185 1193548424 /nfs/dbraw/zinc/54/84/24/1193548424.db2.gz XTHRXWPZDQKUFX-HNAYVOBHSA-N 1 0 302.462 3.188 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC001560355270 1189317388 /nfs/dbraw/zinc/31/73/88/1189317388.db2.gz UXAHRBYBKCEVIA-QGZVFWFLSA-N 1 0 301.361 3.238 20 10 DGCDRO CC[C@H](C)[C@@H](C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001560648968 1189355599 /nfs/dbraw/zinc/35/55/99/1189355599.db2.gz ZIXROKODJZAUCN-QFBILLFUSA-N 1 0 320.477 3.268 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccc(O)c(OC)c2)c(O)c1 ZINC001560727405 1189368944 /nfs/dbraw/zinc/36/89/44/1189368944.db2.gz FBRZQHYOYIHKJC-UHFFFAOYSA-N 1 0 317.385 3.055 20 10 DGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cccc(CC)c1O)C(C)C ZINC001560777601 1189379792 /nfs/dbraw/zinc/37/97/92/1189379792.db2.gz NURSBJMIKCJVBX-GOSISDBHSA-N 1 0 307.434 3.412 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC2(OC)CCC(C)CC2)c(O)c1 ZINC001560803211 1189385627 /nfs/dbraw/zinc/38/56/27/1189385627.db2.gz PHELIUCWBDIONU-UHFFFAOYSA-N 1 0 307.434 3.394 20 10 DGCDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CC=CCC1 ZINC001560896522 1189402269 /nfs/dbraw/zinc/40/22/69/1189402269.db2.gz BGTLFWHWSRQALS-HNNXBMFYSA-N 1 0 303.402 3.114 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC001560899235 1189402537 /nfs/dbraw/zinc/40/25/37/1189402537.db2.gz MSOLQMJZBWEZHO-QGZVFWFLSA-N 1 0 307.459 3.224 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCN(C)c3ncccc3C2)c1 ZINC001560981575 1189414667 /nfs/dbraw/zinc/41/46/67/1189414667.db2.gz PPLSACNUXGLQCP-UHFFFAOYSA-N 1 0 311.429 3.363 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCC23CC3)N(C)C)cc1 ZINC001561040676 1189425033 /nfs/dbraw/zinc/42/50/33/1189425033.db2.gz XDZVGVPBTZCGJB-ROUUACIJSA-N 1 0 301.478 3.278 20 10 DGCDRO CC[C@H](CNC(=O)[C@H]1CC1(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567956973 1190375661 /nfs/dbraw/zinc/37/56/61/1190375661.db2.gz ZLPZJJCZEYDBIE-HZPDHXFCSA-N 1 0 318.461 3.034 20 10 DGCDRO CCC(=CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1)CC ZINC001569052456 1190614194 /nfs/dbraw/zinc/61/41/94/1190614194.db2.gz UDQSBQHKRAVTSY-HNNXBMFYSA-N 1 0 318.461 3.344 20 10 DGCDRO CN(C)c1ccc(CNc2cnn(-c3cc[nH+]cc3)c2)cc1F ZINC001620767353 1191453077 /nfs/dbraw/zinc/45/30/77/1191453077.db2.gz KEGCLNDAPLMFMP-UHFFFAOYSA-N 1 0 311.364 3.085 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@H]2C)c2cc(F)ccc2n1C ZINC001621136602 1193807263 /nfs/dbraw/zinc/80/72/63/1193807263.db2.gz VXYDQCVYGQTPKA-VXGBXAGGSA-N 1 0 318.392 3.334 20 10 DGCDRO Cc1ccnc(N2CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)c1 ZINC001621184721 1193814209 /nfs/dbraw/zinc/81/42/09/1193814209.db2.gz AWBMKWAAJVHMSY-UHFFFAOYSA-N 1 0 324.472 3.087 20 10 DGCDRO C[N@@H+](Cc1ccc(Cl)cc1O)C[C@@H]1COc2ccccc2O1 ZINC001621223719 1193818315 /nfs/dbraw/zinc/81/83/15/1193818315.db2.gz UOUHJMBTWKBOLD-CQSZACIVSA-N 1 0 319.788 3.317 20 10 DGCDRO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001621243536 1193821328 /nfs/dbraw/zinc/82/13/28/1193821328.db2.gz MDRHQMRZJSRSSR-BTYIYWSLSA-N 1 0 323.845 3.255 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC001621373258 1193834744 /nfs/dbraw/zinc/83/47/44/1193834744.db2.gz SEDQWFNXNVLILN-ZDUSSCGKSA-N 1 0 312.200 3.343 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC001621408995 1193838186 /nfs/dbraw/zinc/83/81/86/1193838186.db2.gz OAENXTUKOYSXOW-GXTWGEPZSA-N 1 0 323.408 3.331 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)cc1 ZINC001621435274 1193842818 /nfs/dbraw/zinc/84/28/18/1193842818.db2.gz UZJREAGIUMIFMH-TWMKSMIVSA-N 1 0 300.446 3.300 20 10 DGCDRO COC(=O)c1c(C[NH2+]C2CC(C)(C)C2)c2cc(F)ccc2n1C ZINC001621450584 1193844310 /nfs/dbraw/zinc/84/43/10/1193844310.db2.gz YZNYJAIVWDOYCH-UHFFFAOYSA-N 1 0 318.392 3.382 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)CC[NH+](C)C ZINC001625240286 1194039720 /nfs/dbraw/zinc/03/97/20/1194039720.db2.gz LAIJRUKJMCWPNE-INIZCTEOSA-N 1 0 319.493 3.077 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCOCCC(C)C)CC2)cc1 ZINC001642353479 1194904473 /nfs/dbraw/zinc/90/44/73/1194904473.db2.gz AEKMKNRMEHOCGE-UHFFFAOYSA-N 1 0 320.477 3.270 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1 ZINC001646717628 1195236669 /nfs/dbraw/zinc/23/66/69/1195236669.db2.gz BVAPLALEKQDNOT-MNEFBYGVSA-N 1 0 318.461 3.021 20 10 DGCDRO C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001647040761 1195243051 /nfs/dbraw/zinc/24/30/51/1195243051.db2.gz WVMARBMLLVYZSB-OLZOCXBDSA-N 1 0 300.805 3.147 20 10 DGCDRO COC(=O)C[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CCCCC1 ZINC001647471817 1195248078 /nfs/dbraw/zinc/24/80/78/1195248078.db2.gz ACSPBSORXJLSKY-UHFFFAOYSA-N 1 0 318.461 3.369 20 10 DGCDRO O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001647794934 1195254209 /nfs/dbraw/zinc/25/42/09/1195254209.db2.gz USUAYJIPOJFESX-YJBOKZPZSA-N 1 0 324.424 3.179 20 10 DGCDRO CC(C)[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001648591426 1195311209 /nfs/dbraw/zinc/31/12/09/1195311209.db2.gz LDGVNOFIRZHVHX-VQTJNVASSA-N 1 0 315.505 3.447 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCCC3(C)C)cc2F)CC1 ZINC001650640790 1195368201 /nfs/dbraw/zinc/36/82/01/1195368201.db2.gz PEDXMSNGGNDMJB-SFHVURJKSA-N 1 0 319.468 3.246 20 10 DGCDRO C[C@H]1CCC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001651194727 1195425646 /nfs/dbraw/zinc/42/56/46/1195425646.db2.gz WDVMMBNDQYUNGB-ZFWWWQNUSA-N 1 0 324.415 3.470 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCCCO1 ZINC001651269065 1195436106 /nfs/dbraw/zinc/43/61/06/1195436106.db2.gz JEEKVIHYIJONNP-NVXWUHKLSA-N 1 0 312.404 3.468 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CO)CCc2ccccc2)cc1 ZINC001651582891 1195482225 /nfs/dbraw/zinc/48/22/25/1195482225.db2.gz YXBJWGNASCPQGV-AQDCRGGLSA-N 1 0 324.468 3.349 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(OC)CCSC2)cc1 ZINC001651592323 1195484783 /nfs/dbraw/zinc/48/47/83/1195484783.db2.gz VJCNFIOVZOTXPD-KRWDZBQOSA-N 1 0 308.491 3.145 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)c(O)c1 ZINC001652146701 1195553256 /nfs/dbraw/zinc/55/32/56/1195553256.db2.gz VRMPBSSFCMPLRA-OAHLLOKOSA-N 1 0 318.804 3.060 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCCCCC(=O)OC(C)(C)C)c1 ZINC001652184388 1195558481 /nfs/dbraw/zinc/55/84/81/1195558481.db2.gz SUCBMFXFDHPFLZ-UHFFFAOYSA-N 1 0 323.433 3.393 20 10 DGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2cccc(F)c2)c(O)c1 ZINC001652385039 1195590801 /nfs/dbraw/zinc/59/08/01/1195590801.db2.gz HEBVFUBOYCQCNE-UHFFFAOYSA-N 1 0 316.420 3.404 20 10 DGCDRO C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)Cc1ccccc1O ZINC001652732538 1195642692 /nfs/dbraw/zinc/64/26/92/1195642692.db2.gz VADAFBOCBSEGOJ-UHFFFAOYSA-N 1 0 321.380 3.187 20 10 DGCDRO Cc1nccnc1CN(Cc1ccco1)Cc1ccccc1O ZINC001652842371 1195659516 /nfs/dbraw/zinc/65/95/16/1195659516.db2.gz QEKGBCCADPFWNX-UHFFFAOYSA-N 1 0 309.369 3.286 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)c(O)c1 ZINC001652885365 1195666450 /nfs/dbraw/zinc/66/64/50/1195666450.db2.gz KYSIJHONLKJYEO-UHFFFAOYSA-N 1 0 307.296 3.312 20 10 DGCDRO COc1cc(C)c(C[NH+]2CC(Cc3cccs3)C2)c(O)c1 ZINC001652917719 1195671314 /nfs/dbraw/zinc/67/13/14/1195671314.db2.gz PXQVLXGJILSTNT-UHFFFAOYSA-N 1 0 303.427 3.445 20 10 DGCDRO COC(=O)C[C@](C)([NH2+]Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001652989270 1195678385 /nfs/dbraw/zinc/67/83/85/1195678385.db2.gz JGXUWILYXDNOBR-SFHVURJKSA-N 1 0 305.418 3.337 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001653025843 1195681793 /nfs/dbraw/zinc/68/17/93/1195681793.db2.gz OPDAPPGVIXJKRK-QGZVFWFLSA-N 1 0 324.472 3.167 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)c1O ZINC001653108631 1195688198 /nfs/dbraw/zinc/68/81/98/1195688198.db2.gz AQATWSGUOOLAFA-LBPRGKRZSA-N 1 0 305.365 3.434 20 10 DGCDRO C[C@]1(C[NH2+]Cc2ccc(Br)cc2O)CCCCO1 ZINC001653181040 1195696039 /nfs/dbraw/zinc/69/60/39/1195696039.db2.gz KCNIQPHCTWVOLN-CQSZACIVSA-N 1 0 314.223 3.204 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3nonc3c2)cc1Cl ZINC001653219503 1195699797 /nfs/dbraw/zinc/69/97/97/1195699797.db2.gz VAZDGPOXWMLSOV-UHFFFAOYSA-N 1 0 303.749 3.180 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1O ZINC001654532631 1195813471 /nfs/dbraw/zinc/81/34/71/1195813471.db2.gz YHGGWXXBEKGZBY-SNVBAGLBSA-N 1 0 322.767 3.474 20 10 DGCDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](C)CC(C)C ZINC001654806263 1195842541 /nfs/dbraw/zinc/84/25/41/1195842541.db2.gz STVXOWDASNVKLO-OAHLLOKOSA-N 1 0 307.434 3.440 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC)C2)cc1C ZINC001655492102 1195923147 /nfs/dbraw/zinc/92/31/47/1195923147.db2.gz QMUCNYZTSXNUJV-INIZCTEOSA-N 1 0 320.433 3.104 20 10 DGCDRO CCc1nnc([C@H](C)NCc2ccc(N(CC)CC)cc2)[nH]1 ZINC001656027686 1195989533 /nfs/dbraw/zinc/98/95/33/1195989533.db2.gz BEZOYSZVGUZBBO-ZDUSSCGKSA-N 1 0 301.438 3.064 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3SCCS[C@H]13)CCCO2 ZINC001656037623 1195990108 /nfs/dbraw/zinc/99/01/08/1195990108.db2.gz DDYXEYGJWMEMMQ-DJIMGWMZSA-N 1 0 321.511 3.481 20 10 DGCDRO CCOCc1cc(C[NH2+]CCN2CCC[C@@H](C)C2)ccc1OC ZINC001656044883 1195991193 /nfs/dbraw/zinc/99/11/93/1195991193.db2.gz PODXPXUIJFOYKO-MRXNPFEDSA-N 1 0 320.477 3.053 20 10 DGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C2 ZINC001656043204 1195991301 /nfs/dbraw/zinc/99/13/01/1195991301.db2.gz GWUYJJUSSJECSE-INIZCTEOSA-N 1 0 313.397 3.106 20 10 DGCDRO CSC1(C[NH2+]Cc2c(C)c3ccccc3n2C)CCOCC1 ZINC001656600520 1196053583 /nfs/dbraw/zinc/05/35/83/1196053583.db2.gz RDZPLVDDEYPGBR-UHFFFAOYSA-N 1 0 318.486 3.489 20 10 DGCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001656750116 1196068237 /nfs/dbraw/zinc/06/82/37/1196068237.db2.gz QULPYMKFYAZALE-RDJZCZTQSA-N 1 0 319.468 3.246 20 10 DGCDRO C[NH+]1CCC(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001657146792 1196110388 /nfs/dbraw/zinc/11/03/88/1196110388.db2.gz JAQYFMYJJBZGIB-UHFFFAOYSA-N 1 0 300.805 3.006 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2COc3ccccc3C2)cc1F ZINC001657172153 1196114863 /nfs/dbraw/zinc/11/48/63/1196114863.db2.gz FWZMWXCJNPWLMZ-AWEZNQCLSA-N 1 0 318.367 3.124 20 10 DGCDRO CO[C@H](C[NH2+]Cc1c(C)c2ccccc2n1C)C(F)(F)F ZINC001657187964 1196117280 /nfs/dbraw/zinc/11/72/80/1196117280.db2.gz QTXFAJVBJQWALV-CQSZACIVSA-N 1 0 300.324 3.154 20 10 DGCDRO COc1cccc(O[C@H](C)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001657290664 1196127424 /nfs/dbraw/zinc/12/74/24/1196127424.db2.gz DFHMSQVJAHUVIX-CQSZACIVSA-N 1 0 313.397 3.187 20 10 DGCDRO CCC[N@H+](CC)C[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC001657472807 1196146729 /nfs/dbraw/zinc/14/67/29/1196146729.db2.gz DXYCZOYXCBCSEH-JJEJIETFSA-N 1 0 303.494 3.476 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1O ZINC001657677147 1196168461 /nfs/dbraw/zinc/16/84/61/1196168461.db2.gz BLCFHBKWYCPZHB-JKSUJKDBSA-N 1 0 307.434 3.391 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1O ZINC001657677145 1196168482 /nfs/dbraw/zinc/16/84/82/1196168482.db2.gz BLCFHBKWYCPZHB-HOTGVXAUSA-N 1 0 307.434 3.391 20 10 DGCDRO COCC1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCCC1 ZINC001657734622 1196174126 /nfs/dbraw/zinc/17/41/26/1196174126.db2.gz KREAGJBPBBJLLU-UHFFFAOYSA-N 1 0 312.404 3.470 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1O)NC(=O)OC(C)(C)C ZINC001657983141 1196198941 /nfs/dbraw/zinc/19/89/41/1196198941.db2.gz WJEABUJPXHAHQZ-SNVBAGLBSA-N 1 0 314.813 3.048 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cc(F)ccc2OC)cc1C ZINC001657992855 1196199914 /nfs/dbraw/zinc/19/99/14/1196199914.db2.gz IZYYOMXFRGZPDV-UHFFFAOYSA-N 1 0 303.377 3.484 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)Cc2ccccc2F)c(Cl)c1 ZINC001658003231 1196200471 /nfs/dbraw/zinc/20/04/71/1196200471.db2.gz MGKKKHNVUOTJAR-CYBMUJFWSA-N 1 0 323.795 3.186 20 10 DGCDRO Cn1cnc2cc(C[NH2+]Cc3c(O)cccc3Cl)ccc21 ZINC001658006549 1196201385 /nfs/dbraw/zinc/20/13/85/1196201385.db2.gz FVANOGDWQRHZQW-UHFFFAOYSA-N 1 0 301.777 3.222 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCCC3(CC3)C2)ccc1N1CCOCC1 ZINC001658063327 1196208500 /nfs/dbraw/zinc/20/85/00/1196208500.db2.gz YJMRHMUCCWTZQQ-INIZCTEOSA-N 1 0 318.436 3.475 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)cc1C ZINC001658414939 1196253368 /nfs/dbraw/zinc/25/33/68/1196253368.db2.gz FJIYHXSXWMPSEZ-RISCZKNCSA-N 1 0 305.340 3.185 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H](O)C2CCCC2)cc1 ZINC001658464142 1196260895 /nfs/dbraw/zinc/26/08/95/1196260895.db2.gz RWHMKTKRRNTBBN-ZMBJWTFHSA-N 1 0 302.462 3.297 20 10 DGCDRO OC[C@@]1(C[NH2+]Cc2ccc(Cl)cc2O)CCc2ccccc21 ZINC001658477134 1196262424 /nfs/dbraw/zinc/26/24/24/1196262424.db2.gz SGMHCAADEVFPAW-SFHVURJKSA-N 1 0 317.816 3.012 20 10 DGCDRO Cn1cc(C(F)F)c(C[NH2+]Cc2ccc(Cl)cc2O)n1 ZINC001658745703 1196295075 /nfs/dbraw/zinc/29/50/75/1196295075.db2.gz SCCBVWACAWGTHY-UHFFFAOYSA-N 1 0 301.724 3.007 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCN(C)c3ncccc3C2)cc1 ZINC001658776448 1196299270 /nfs/dbraw/zinc/29/92/70/1196299270.db2.gz XCKGEWREPRCADJ-WAYWQWQTSA-N 1 0 322.456 3.113 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1O ZINC001658843814 1196307779 /nfs/dbraw/zinc/30/77/79/1196307779.db2.gz SUSBLMQNTLSHJZ-KRWDZBQOSA-N 1 0 319.832 3.301 20 10 DGCDRO CC[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC001659527657 1196392030 /nfs/dbraw/zinc/39/20/30/1196392030.db2.gz JEQLKSARMBRHDJ-RDJZCZTQSA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)ccc1N1CCCCC1 ZINC001659535562 1196393289 /nfs/dbraw/zinc/39/32/89/1196393289.db2.gz AMLRKDQUJCGBTR-QFBILLFUSA-N 1 0 316.489 3.436 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2cc(C(C)C)ccc2O)CCCC1 ZINC001659654508 1196403942 /nfs/dbraw/zinc/40/39/42/1196403942.db2.gz HYAUEUUALHJOGS-UHFFFAOYSA-N 1 0 305.418 3.481 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cnn(-c3ccccc3C)c2)c1 ZINC001659690684 1196406211 /nfs/dbraw/zinc/40/62/11/1196406211.db2.gz YAAIKEGMVGKITC-UHFFFAOYSA-N 1 0 307.397 3.485 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC001659723579 1196408892 /nfs/dbraw/zinc/40/88/92/1196408892.db2.gz NTKJLEXHDZXQLQ-UHFFFAOYSA-N 1 0 319.788 3.430 20 10 DGCDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(C(C)C)ccc4O)[C@H]1[C@H]3C2 ZINC001659752528 1196411749 /nfs/dbraw/zinc/41/17/49/1196411749.db2.gz QMQTUTZHAYIMBK-NZMUHZMNSA-N 1 0 301.430 3.371 20 10 DGCDRO C[C@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccccc1O ZINC001659815701 1196417656 /nfs/dbraw/zinc/41/76/56/1196417656.db2.gz RHVBHHBGSHNVJB-HNNXBMFYSA-N 1 0 307.397 3.488 20 10 DGCDRO C[NH+](C)CC[C@H](NCc1ccc(Cl)cc1O)c1cccnc1 ZINC001660741969 1196517925 /nfs/dbraw/zinc/51/79/25/1196517925.db2.gz FXSSQZKJUKDCTO-INIZCTEOSA-N 1 0 319.836 3.223 20 10 DGCDRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001660816681 1196528772 /nfs/dbraw/zinc/52/87/72/1196528772.db2.gz OVHYMOTUFHSQAD-UKRRQHHQSA-N 1 0 320.433 3.046 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)N[C@@H](C)CC)cc1C ZINC001661224248 1196584900 /nfs/dbraw/zinc/58/49/00/1196584900.db2.gz KYAMQLXZVVXXLZ-GJZGRUSLSA-N 1 0 306.450 3.177 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCCNc1ccccn1 ZINC001661643285 1196627321 /nfs/dbraw/zinc/62/73/21/1196627321.db2.gz ZSSURWTVZWVSPS-UHFFFAOYSA-N 1 0 308.429 3.474 20 10 DGCDRO Cc1noc(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)n1 ZINC001662163125 1196688684 /nfs/dbraw/zinc/68/86/84/1196688684.db2.gz URSGZHCVVDIHOW-UHFFFAOYSA-N 1 0 321.380 3.270 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001662333155 1196709471 /nfs/dbraw/zinc/70/94/71/1196709471.db2.gz WHTCHAKCYRDUGL-IBGZPJMESA-N 1 0 312.388 3.449 20 10 DGCDRO CCC[C@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001663076626 1196789994 /nfs/dbraw/zinc/78/99/94/1196789994.db2.gz IJOSCVKVZZRGPP-CYBMUJFWSA-N 1 0 318.383 3.412 20 10 DGCDRO C[C@@H]1[C@H](C)SCCN1Cc1cc(F)c(N(C)C)cc1F ZINC001663888407 1196954436 /nfs/dbraw/zinc/95/44/36/1196954436.db2.gz CTPCTMCGNOINSB-MNOVXSKESA-N 1 0 300.418 3.357 20 10 DGCDRO COc1cc(C)c(CN2CCC[N@@H+](C3CCCC3)CC2)c(O)c1 ZINC001663883921 1196954720 /nfs/dbraw/zinc/95/47/20/1196954720.db2.gz IJHLLRGOLGQACX-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO CC(C)n1ncc2c1[C@H]([NH2+]Cc1cc(F)ccc1O)CCC2 ZINC001664171363 1196977047 /nfs/dbraw/zinc/97/70/47/1196977047.db2.gz WMZUEWKDZYSWOQ-OAHLLOKOSA-N 1 0 303.381 3.476 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)CC2CCCC2)c1O ZINC001664465369 1197002103 /nfs/dbraw/zinc/00/21/03/1197002103.db2.gz GVGLTTXBBVGBAK-CQSZACIVSA-N 1 0 313.825 3.085 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H](CO)CC2CCOCC2)c1 ZINC001664493195 1197006102 /nfs/dbraw/zinc/00/61/02/1197006102.db2.gz WFSDVRXDXGEPFH-INIZCTEOSA-N 1 0 321.461 3.030 20 10 DGCDRO Cc1ccc(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)c(O)c1 ZINC001664810363 1197062373 /nfs/dbraw/zinc/06/23/73/1197062373.db2.gz AJOCMTFIWSKGCI-CYBMUJFWSA-N 1 0 303.324 3.242 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]Cc1cccc2c1CCOC2 ZINC001665364866 1197129238 /nfs/dbraw/zinc/12/92/38/1197129238.db2.gz QYJKZNMMYATIJS-UHFFFAOYSA-N 1 0 303.789 3.408 20 10 DGCDRO Cn1cnc2cc(C[NH2+]Cc3ccc(Cl)cc3O)ccc21 ZINC001665672287 1197168953 /nfs/dbraw/zinc/16/89/53/1197168953.db2.gz FAWAEJFJWFUJAC-UHFFFAOYSA-N 1 0 301.777 3.222 20 10 DGCDRO CCC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001666983197 1197305316 /nfs/dbraw/zinc/30/53/16/1197305316.db2.gz WAZJGEZZYFFZNA-HNNXBMFYSA-N 1 0 320.477 3.376 20 10 DGCDRO CC/C=C(/C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001667994573 1197394882 /nfs/dbraw/zinc/39/48/82/1197394882.db2.gz UOOFZFHEBPXNAK-VFXTVZEFSA-N 1 0 318.461 3.344 20 10 DGCDRO CNC(=O)c1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)cc1 ZINC000323932271 1197690958 /nfs/dbraw/zinc/69/09/58/1197690958.db2.gz ZSJCPTUNCLSOAQ-BBRMVZONSA-N 1 0 324.424 3.398 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)CC(C)(C)C)cc1C ZINC001674168350 1197742464 /nfs/dbraw/zinc/74/24/64/1197742464.db2.gz QQHBJPREAFZFHK-HNNXBMFYSA-N 1 0 320.477 3.424 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C=C2CCC2)cc1C ZINC001676330663 1198290430 /nfs/dbraw/zinc/29/04/30/1198290430.db2.gz NTCRPOYPEOSJKN-OAHLLOKOSA-N 1 0 316.445 3.050 20 10 DGCDRO CC[C@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001698960521 1201612497 /nfs/dbraw/zinc/61/24/97/1201612497.db2.gz KMRPNKVFQXFTDO-YOEHRIQHSA-N 1 0 320.477 3.280 20 10 DGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)/C=C\C(C)(C)C)cc1C ZINC001753176105 1202181051 /nfs/dbraw/zinc/18/10/51/1202181051.db2.gz FAUUTLSMOZQWGZ-KTKRTIGZSA-N 1 0 318.461 3.154 20 10 DGCDRO CC[C@H](C)[C@H](C)C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753245610 1202188332 /nfs/dbraw/zinc/18/83/32/1202188332.db2.gz DYAYRUZNFFKIFP-HOCLYGCPSA-N 1 0 320.477 3.234 20 10 DGCDRO CC/C(C)=C/C(=O)NC[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753612510 1202299818 /nfs/dbraw/zinc/29/98/18/1202299818.db2.gz HFYCVRHJDPRZOV-AAWPKVBNSA-N 1 0 318.461 3.202 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC000219105755 1202565094 /nfs/dbraw/zinc/56/50/94/1202565094.db2.gz RGTJEPVZZNSQDR-KRWDZBQOSA-N 1 0 302.443 3.172 20 10 DGCDRO CC/C(C)=C\C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715336296 1203318143 /nfs/dbraw/zinc/31/81/43/1203318143.db2.gz SAXWYZRIYYVAMO-DNXIFWLFSA-N 1 0 318.461 3.296 20 10 DGCDRO CC/C(C)=C\C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716291168 1203457776 /nfs/dbraw/zinc/45/77/76/1203457776.db2.gz LBIHXQIDHVPDQY-OKYPJBATSA-N 1 0 316.445 3.122 20 10 DGCDRO COC(=O)C1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000171676444 1203853647 /nfs/dbraw/zinc/85/36/47/1203853647.db2.gz PEVCXDFZTHIJGN-UHFFFAOYSA-N 1 0 316.445 3.108 20 10 DGCDRO CCCC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001731617204 1204484298 /nfs/dbraw/zinc/48/42/98/1204484298.db2.gz WZNRGIOGSNUUCB-HNNXBMFYSA-N 1 0 320.477 3.424 20 10 DGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)C2(C)CCCC2)cc1C ZINC001731938055 1204631936 /nfs/dbraw/zinc/63/19/36/1204631936.db2.gz WWMPDYSJFNADER-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO CC/C(C)=C/C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732692746 1204929820 /nfs/dbraw/zinc/92/98/20/1204929820.db2.gz IEXOCOONCGCGSI-UKYUDJEDSA-N 1 0 318.461 3.344 20 10 DGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)C=C2CCC2)cc1C ZINC001733097791 1205023532 /nfs/dbraw/zinc/02/35/32/1205023532.db2.gz CSKRPNYJPZHFCQ-UHFFFAOYSA-N 1 0 316.445 3.052 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C=C2CCC2)cc1C ZINC001733970274 1205274601 /nfs/dbraw/zinc/27/46/01/1205274601.db2.gz OZYBCNGKVFXARS-LSDHHAIUSA-N 1 0 316.445 3.097 20 10 DGCDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2c(c1)CC(=O)N2C ZINC001169699295 1081633662 /nfs/dbraw/zinc/63/36/62/1081633662.db2.gz WYDPBMVNSCQBTB-KRWDZBQOSA-N 1 0 321.424 3.446 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169781636 1081654246 /nfs/dbraw/zinc/65/42/46/1081654246.db2.gz GPTUWUWYZAHRHZ-GOSISDBHSA-N 1 0 324.424 3.129 20 10 DGCDRO Oc1cc2ccccc2cc1C[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169916567 1081677196 /nfs/dbraw/zinc/67/71/96/1081677196.db2.gz OBXMEQWPOCUWHS-KRWDZBQOSA-N 1 0 313.397 3.321 20 10 DGCDRO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC001167107878 1081705867 /nfs/dbraw/zinc/70/58/67/1081705867.db2.gz JKCVVEDDWHCEQX-FUHWJXTLSA-N 1 0 318.461 3.162 20 10 DGCDRO C[C@H](Cc1ccco1)[NH2+]Cc1ccc(Br)cc1O ZINC000691452122 1081795060 /nfs/dbraw/zinc/79/50/60/1081795060.db2.gz CQRLKNSGYXSGNZ-SNVBAGLBSA-N 1 0 310.191 3.469 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(Br)cc1O)OC ZINC000691470247 1081859281 /nfs/dbraw/zinc/85/92/81/1081859281.db2.gz SSMDHSQSOQRZKY-IINYFYTJSA-N 1 0 316.239 3.305 20 10 DGCDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691485493 1081919667 /nfs/dbraw/zinc/91/96/67/1081919667.db2.gz AUQXZXLVJRDNBI-NSHDSACASA-N 1 0 302.237 3.138 20 10 DGCDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691489907 1081923266 /nfs/dbraw/zinc/92/32/66/1081923266.db2.gz TVJNHXOFHMCEJB-GFCCVEGCSA-N 1 0 316.239 3.041 20 10 DGCDRO CCOCC(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000691487716 1081923491 /nfs/dbraw/zinc/92/34/91/1081923491.db2.gz HYUILNNFUDKSIR-UHFFFAOYSA-N 1 0 316.239 3.307 20 10 DGCDRO Cc1cncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001167434542 1082114140 /nfs/dbraw/zinc/11/41/40/1082114140.db2.gz PGFJOYUKXMAUIJ-UHFFFAOYSA-N 1 0 310.445 3.062 20 10 DGCDRO Cc1ccnc(C)c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434706 1082114318 /nfs/dbraw/zinc/11/43/18/1082114318.db2.gz TUOPUSIHHUPGJG-UHFFFAOYSA-N 1 0 310.445 3.062 20 10 DGCDRO C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001170248032 1082333644 /nfs/dbraw/zinc/33/36/44/1082333644.db2.gz LULJAJNNWMEWGD-APPDUMDISA-N 1 0 321.804 3.005 20 10 DGCDRO CCCC[C@@](C)(F)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130472988 1082584538 /nfs/dbraw/zinc/58/45/38/1082584538.db2.gz FHCLSJNTHWEQGP-GOSISDBHSA-N 1 0 324.440 3.128 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(Br)cn1 ZINC000695250270 1083247513 /nfs/dbraw/zinc/24/75/13/1083247513.db2.gz QLYFSLLSQDRPRK-SNVBAGLBSA-N 1 0 307.191 3.401 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001180897647 1083373502 /nfs/dbraw/zinc/37/35/02/1083373502.db2.gz XADHAYVUIQFYPD-MRXNPFEDSA-N 1 0 305.805 3.047 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1O ZINC001181125075 1083414037 /nfs/dbraw/zinc/41/40/37/1083414037.db2.gz IPUZGUFVRFDTST-JKSUJKDBSA-N 1 0 307.434 3.393 20 10 DGCDRO CC[N@H+](Cc1cccc(OC)c1)Cc1cc(O)c(O)c(OC)c1 ZINC001204346795 1083754359 /nfs/dbraw/zinc/75/43/59/1083754359.db2.gz ZITXDAJFKZOCKU-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)C ZINC001182617070 1083769009 /nfs/dbraw/zinc/76/90/09/1083769009.db2.gz ZKZDCKMYIMBJOG-KRWDZBQOSA-N 1 0 319.445 3.468 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2ccc3occc3c2)cc1OC ZINC001182806873 1083808214 /nfs/dbraw/zinc/80/82/14/1083808214.db2.gz ZZHZEKWLMXQBPF-UHFFFAOYSA-N 1 0 313.353 3.445 20 10 DGCDRO C[C@@]1([NH3+])CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001205254990 1083876713 /nfs/dbraw/zinc/87/67/13/1083876713.db2.gz DDZAHDTZMIFKSR-CQSZACIVSA-N 1 0 303.233 3.402 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@@H]1O ZINC001183991401 1084084440 /nfs/dbraw/zinc/08/44/40/1084084440.db2.gz HJAUSXJRJOGGFB-KKSFZXQISA-N 1 0 322.452 3.062 20 10 DGCDRO CCCC[NH+]1CCC(N(C)Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139689187 1084209996 /nfs/dbraw/zinc/20/99/96/1084209996.db2.gz DYEROJOEKUWFIR-UHFFFAOYSA-N 1 0 312.404 3.367 20 10 DGCDRO CC/C=C(\C)C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481794193 1084637684 /nfs/dbraw/zinc/63/76/84/1084637684.db2.gz NDOZZVUCCBXLDL-LEHPZIBWSA-N 1 0 318.461 3.344 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1cc(Cl)ccc1O ZINC001203657024 1084778732 /nfs/dbraw/zinc/77/87/32/1084778732.db2.gz BZALPCOBXJLTOR-UHFFFAOYSA-N 1 0 323.776 3.204 20 10 DGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001648951604 1084904456 /nfs/dbraw/zinc/90/44/56/1084904456.db2.gz ZLNUTPPGGBYERJ-HKUYNNGSSA-N 1 0 302.462 3.362 20 10 DGCDRO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1C ZINC001167974275 1085914324 /nfs/dbraw/zinc/91/43/24/1085914324.db2.gz TYXBHMYALLZIRS-YQQQUEKLSA-N 1 0 314.473 3.499 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCO[C@@H](C)C2)C1 ZINC001168129924 1086958762 /nfs/dbraw/zinc/95/87/62/1086958762.db2.gz BDXVZXRECYXMDQ-KBPBESRZSA-N 1 0 314.429 3.113 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c(O)c1 ZINC000093593848 1087141608 /nfs/dbraw/zinc/14/16/08/1087141608.db2.gz GLGWDMMURDGFPJ-CQSZACIVSA-N 1 0 313.397 3.399 20 10 DGCDRO C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1Cc2ccccc2O1 ZINC001142534675 1087279866 /nfs/dbraw/zinc/27/98/66/1087279866.db2.gz SBGCBMZCIHWMGJ-ZDUSSCGKSA-N 1 0 305.324 3.106 20 10 DGCDRO CCOc1ccc(N(CC2CC2)C(=O)C2=CCC[NH2+]CC2)cc1 ZINC001122099397 1087812512 /nfs/dbraw/zinc/81/25/12/1087812512.db2.gz GWJXWFPFRXIUGN-UHFFFAOYSA-N 1 0 314.429 3.138 20 10 DGCDRO Nc1ccc(OC(=O)c2ccc(NC3=CCC[NH2+]CC3)cc2)cc1 ZINC001159766387 1088477590 /nfs/dbraw/zinc/47/75/90/1088477590.db2.gz KEJRIMMQMOMLDG-UHFFFAOYSA-N 1 0 323.396 3.167 20 10 DGCDRO c1ccc(N2CC[NH2+]CC2)c(Nc2ccc3c(c2)CCCN3)c1 ZINC001159813187 1088501539 /nfs/dbraw/zinc/50/15/39/1088501539.db2.gz WSBNTRRJODESRA-UHFFFAOYSA-N 1 0 308.429 3.198 20 10 DGCDRO Nc1ccc(Nc2cc(F)ccc2N2CCC([NH3+])CC2)cc1 ZINC001160079495 1088633312 /nfs/dbraw/zinc/63/33/12/1088633312.db2.gz LEFDHSNAJYQUSS-UHFFFAOYSA-N 1 0 300.381 3.079 20 10 DGCDRO Nc1ccc(Nc2c(F)cccc2OC2CC[NH2+]CC2)cc1 ZINC001160149347 1088670572 /nfs/dbraw/zinc/67/05/72/1088670572.db2.gz JMSHWQKCEBDMSC-UHFFFAOYSA-N 1 0 301.365 3.282 20 10 DGCDRO C[N@H+](Cc1ccccc1)Cc1cc(O)c(Br)cc1O ZINC001236773850 1089839596 /nfs/dbraw/zinc/83/95/96/1089839596.db2.gz UXCBVSWRNPDZSO-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)CCCC(C)(C)C)cc1C ZINC001124782282 1090326618 /nfs/dbraw/zinc/32/66/18/1090326618.db2.gz IGSRQCZSMAEMIP-UHFFFAOYSA-N 1 0 320.477 3.426 20 10 DGCDRO CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001168617192 1090624588 /nfs/dbraw/zinc/62/45/88/1090624588.db2.gz ICXBGCYOZYPUMP-OAHLLOKOSA-N 1 0 306.450 3.178 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC001203550089 1090753408 /nfs/dbraw/zinc/75/34/08/1090753408.db2.gz HGUYLMOUXFBZFY-AWEZNQCLSA-N 1 0 320.433 3.224 20 10 DGCDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC001203556187 1090754507 /nfs/dbraw/zinc/75/45/07/1090754507.db2.gz MROHBMQAPVCGQA-HNNXBMFYSA-N 1 0 320.433 3.271 20 10 DGCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]2CCCC[C@@H]12 ZINC001203551369 1090754791 /nfs/dbraw/zinc/75/47/91/1090754791.db2.gz DYTDZQSLCYSKJZ-OIISXLGYSA-N 1 0 317.429 3.194 20 10 DGCDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccccc1O ZINC001203561723 1090756862 /nfs/dbraw/zinc/75/68/62/1090756862.db2.gz YJHKDAJWZBXCOC-ZFWWWQNUSA-N 1 0 320.433 3.270 20 10 DGCDRO CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(OC)cc1O ZINC001203629387 1090769447 /nfs/dbraw/zinc/76/94/47/1090769447.db2.gz ZQHVPMZWVAPIGV-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO Oc1ccc(Br)cc1C[NH+]1CC(c2cccnc2)C1 ZINC001203645421 1090772755 /nfs/dbraw/zinc/77/27/55/1090772755.db2.gz HYQVULFDUNYZOJ-UHFFFAOYSA-N 1 0 319.202 3.149 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)c1 ZINC001203680841 1090778779 /nfs/dbraw/zinc/77/87/79/1090778779.db2.gz GZHAKXGZCIWQJP-QGZVFWFLSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC(c3cccc(O)c3)CC2)c1 ZINC001203681083 1090779004 /nfs/dbraw/zinc/77/90/04/1090779004.db2.gz ONRSTUKIMOYZJA-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001203682783 1090779872 /nfs/dbraw/zinc/77/98/72/1090779872.db2.gz NNYYHBSKTGTSQC-BSWAZPDLSA-N 1 0 318.436 3.044 20 10 DGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1O ZINC001203883720 1090826284 /nfs/dbraw/zinc/82/62/84/1090826284.db2.gz MEQOVNBFOURXDA-MRXNPFEDSA-N 1 0 301.361 3.444 20 10 DGCDRO Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203936806 1090844180 /nfs/dbraw/zinc/84/41/80/1090844180.db2.gz NUVMQOHTJRSMPI-SFHVURJKSA-N 1 0 311.429 3.109 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CCC(=O)OC)C2)cc1 ZINC001203942453 1090845920 /nfs/dbraw/zinc/84/59/20/1090845920.db2.gz QZGSMZPONPKCMB-QGZVFWFLSA-N 1 0 318.461 3.308 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)cc1 ZINC001203943458 1090847289 /nfs/dbraw/zinc/84/72/89/1090847289.db2.gz CJTMXJNOOINQAU-SFHVURJKSA-N 1 0 318.461 3.260 20 10 DGCDRO CCOc1ccc(N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC001204016903 1090869939 /nfs/dbraw/zinc/86/99/39/1090869939.db2.gz LCSPPDGZUFKVHA-UHFFFAOYSA-N 1 0 302.443 3.469 20 10 DGCDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204235167 1090931482 /nfs/dbraw/zinc/93/14/82/1090931482.db2.gz IOCNQUHUARPWBT-JKSUJKDBSA-N 1 0 311.473 3.430 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c2ccccc21 ZINC001204239977 1090931850 /nfs/dbraw/zinc/93/18/50/1090931850.db2.gz FXHDIIIRKUYWHT-OXJNMPFZSA-N 1 0 309.457 3.042 20 10 DGCDRO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204242413 1090933036 /nfs/dbraw/zinc/93/30/36/1090933036.db2.gz PHGRQUJOANAICU-KRWDZBQOSA-N 1 0 311.473 3.432 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1c(OC)cccc1OC ZINC001204253124 1090935076 /nfs/dbraw/zinc/93/50/76/1090935076.db2.gz IQGVOEMKTNYGKZ-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)cc1 ZINC001204274996 1090938056 /nfs/dbraw/zinc/93/80/56/1090938056.db2.gz KKRBMFZBRRZBHN-SFHVURJKSA-N 1 0 313.397 3.450 20 10 DGCDRO Cc1ccc([C@]2(C)C[N@H+](Cc3ccc(O)cc3O)CCO2)cc1 ZINC001204277792 1090938170 /nfs/dbraw/zinc/93/81/70/1090938170.db2.gz ACXSAWPSKIFPHP-IBGZPJMESA-N 1 0 313.397 3.154 20 10 DGCDRO F[C@H]1CSC2(C[NH+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001204321904 1090948666 /nfs/dbraw/zinc/94/86/66/1090948666.db2.gz LYWNDLYEQKNTMM-OAHLLOKOSA-N 1 0 306.450 3.316 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001204324801 1090949356 /nfs/dbraw/zinc/94/93/56/1090949356.db2.gz OVVWCXRZCIXMEW-PKOBYXMFSA-N 1 0 300.446 3.288 20 10 DGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204328822 1090950947 /nfs/dbraw/zinc/95/09/47/1090950947.db2.gz ORRLYMHCDFPOHV-DFNIBXOVSA-N 1 0 300.446 3.429 20 10 DGCDRO COc1ccc([C@H](C)[N@H+](C)Cc2cc(O)c(O)c(OC)c2)cc1 ZINC001204345024 1090952958 /nfs/dbraw/zinc/95/29/58/1090952958.db2.gz FSVAMLCVJVWMHB-LBPRGKRZSA-N 1 0 317.385 3.308 20 10 DGCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204349567 1090953656 /nfs/dbraw/zinc/95/36/56/1090953656.db2.gz UVLUCDORFWKVCY-UHFFFAOYSA-N 1 0 301.386 3.437 20 10 DGCDRO COc1cc(C)cc(OC)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001143143881 1090992405 /nfs/dbraw/zinc/99/24/05/1090992405.db2.gz AWGFPPJKYJGKEC-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO CC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138219474 1091118545 /nfs/dbraw/zinc/11/85/45/1091118545.db2.gz BUCABUINCRJQPH-UHFFFAOYSA-N 1 0 300.446 3.478 20 10 DGCDRO C[C@]1(O)CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215403 1091118835 /nfs/dbraw/zinc/11/88/35/1091118835.db2.gz DIZOWHDCQSXELZ-IBGZPJMESA-N 1 0 302.462 3.414 20 10 DGCDRO Cc1c(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c2ccccc2n1C ZINC001138253037 1091125953 /nfs/dbraw/zinc/12/59/53/1091125953.db2.gz ZRNLVWAGJILIGS-INIZCTEOSA-N 1 0 312.457 3.471 20 10 DGCDRO CC[N@H+](CCCC(=O)OC)Cc1c(C)n(C)c2ccccc21 ZINC001138252276 1091126677 /nfs/dbraw/zinc/12/66/77/1091126677.db2.gz AIQGWQBSDBSHHR-UHFFFAOYSA-N 1 0 302.418 3.262 20 10 DGCDRO Cc1c(CN2CCOC[C@@H]2c2cccnc2)c2ccccc2n1C ZINC001138259096 1091127808 /nfs/dbraw/zinc/12/78/08/1091127808.db2.gz AVCFXZSWFFCTSZ-HXUWFJFHSA-N 1 0 321.424 3.455 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc23)[C@H]1C ZINC001138258297 1091127918 /nfs/dbraw/zinc/12/79/18/1091127918.db2.gz OXEGZLNMUJHOCL-LSDHHAIUSA-N 1 0 314.429 3.260 20 10 DGCDRO CCOC(=O)CN(Cc1c(C)n(C)c2ccccc12)C1CC1 ZINC001138259945 1091128312 /nfs/dbraw/zinc/12/83/12/1091128312.db2.gz SEFSECOSHCETCT-UHFFFAOYSA-N 1 0 300.402 3.014 20 10 DGCDRO Cc1noc([C@H]2CC[N@@H+](Cc3c(C)n(C)c4ccccc43)C2)n1 ZINC001138258672 1091128322 /nfs/dbraw/zinc/12/83/22/1091128322.db2.gz YILZXKRHMRCHRG-AWEZNQCLSA-N 1 0 310.401 3.168 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc23)CC1 ZINC001138259110 1091128330 /nfs/dbraw/zinc/12/83/30/1091128330.db2.gz BKJGXLQCHLLYLI-OAHLLOKOSA-N 1 0 314.429 3.262 20 10 DGCDRO CCc1cccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c1O ZINC001205215618 1091135922 /nfs/dbraw/zinc/13/59/22/1091135922.db2.gz JVGZBBZNHZJHDC-INIZCTEOSA-N 1 0 313.397 3.226 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(O)cc(O)c1 ZINC001138332896 1091143236 /nfs/dbraw/zinc/14/32/36/1091143236.db2.gz KWFWYZGSAVATPU-UHFFFAOYSA-N 1 0 300.402 3.186 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138336246 1091144889 /nfs/dbraw/zinc/14/48/89/1091144889.db2.gz NCSVTJYVSIVJSY-CQSZACIVSA-N 1 0 300.446 3.323 20 10 DGCDRO Oc1c(C[NH+]2CC3(C2)CCCC3)cc2c3c1CCCN3CCC2 ZINC001138338133 1091147117 /nfs/dbraw/zinc/14/71/17/1091147117.db2.gz KMIUEYOFQDVICW-UHFFFAOYSA-N 1 0 312.457 3.467 20 10 DGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]21 ZINC001138339565 1091147203 /nfs/dbraw/zinc/14/72/03/1091147203.db2.gz HLSBBCHNSIKACH-CALCHBBNSA-N 1 0 312.457 3.179 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@]4(C3)CCCCO4)ccc21 ZINC001138354833 1091150202 /nfs/dbraw/zinc/15/02/02/1091150202.db2.gz WITRIGLLZOJKFP-LJQANCHMSA-N 1 0 300.446 3.214 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@](C)(CO)CC3)ccc21 ZINC001138354796 1091150500 /nfs/dbraw/zinc/15/05/00/1091150500.db2.gz VFDILHIOZAJELN-IBGZPJMESA-N 1 0 302.462 3.054 20 10 DGCDRO Cn1ccc(C2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)n1 ZINC001138359326 1091152530 /nfs/dbraw/zinc/15/25/30/1091152530.db2.gz RORPJOBMNDAESJ-UHFFFAOYSA-N 1 0 324.472 3.182 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H]3c3cnccn3)ccc21 ZINC001138357771 1091152691 /nfs/dbraw/zinc/15/26/91/1091152691.db2.gz JUAIXODQLTZYJQ-LJQANCHMSA-N 1 0 308.429 3.196 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c(OC)c1 ZINC001138386482 1091161087 /nfs/dbraw/zinc/16/10/87/1091161087.db2.gz NYUDDHGUMDGXFC-HZPDHXFCSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c(OC)c1 ZINC001138385882 1091161367 /nfs/dbraw/zinc/16/13/67/1091161367.db2.gz BOZHEEXPJKJLHB-SAABIXHNSA-N 1 0 320.477 3.277 20 10 DGCDRO c1coc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC001138499572 1091205978 /nfs/dbraw/zinc/20/59/78/1091205978.db2.gz SDGFSSVNOVZOBX-UHFFFAOYSA-N 1 0 312.413 3.281 20 10 DGCDRO Oc1cccc2c1CN(Cc1ccc(Br)o1)CC2 ZINC001138907200 1091373879 /nfs/dbraw/zinc/37/38/79/1091373879.db2.gz LRYVOBUEWAKLDH-UHFFFAOYSA-N 1 0 308.175 3.306 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1c3cc[nH]c3ncc1Cl)CC2 ZINC001138953388 1091390923 /nfs/dbraw/zinc/39/09/23/1091390923.db2.gz VIFQGBSMYBIWJD-UHFFFAOYSA-N 1 0 313.788 3.432 20 10 DGCDRO Cc1cc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(C)n1-c1ccccc1 ZINC001206124246 1091502815 /nfs/dbraw/zinc/50/28/15/1091502815.db2.gz IKBOEPRYTCFGNT-INIZCTEOSA-N 1 0 319.399 3.262 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC001139361780 1091535589 /nfs/dbraw/zinc/53/55/89/1091535589.db2.gz YDSKIVYYNNFWCW-UHFFFAOYSA-N 1 0 305.381 3.136 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@H]([NH3+])C[C@@H](F)C2)cc1Cl ZINC001206456746 1091638519 /nfs/dbraw/zinc/63/85/19/1091638519.db2.gz PFCBBAQRGDYKKK-VXGBXAGGSA-N 1 0 314.832 3.214 20 10 DGCDRO CCN(CC[NH+]1CCCCC1)Cc1ccc(N(C)C)c(C)c1 ZINC001139673123 1091640269 /nfs/dbraw/zinc/64/02/69/1091640269.db2.gz PYZMACRHYJDINY-UHFFFAOYSA-N 1 0 303.494 3.369 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1C ZINC001140053105 1091750585 /nfs/dbraw/zinc/75/05/85/1091750585.db2.gz OVFDVQLAGGUAKM-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO CC1CCC([NH+]2CCN(Cc3cc(F)ccc3O)CC2)CC1 ZINC001140055801 1091752747 /nfs/dbraw/zinc/75/27/47/1091752747.db2.gz VTBKEEGYKGSWMU-UHFFFAOYSA-N 1 0 306.425 3.228 20 10 DGCDRO CN1CCC([N@H+](Cc2cc(F)ccc2O)C2CCCC2)CC1 ZINC001140056096 1091752965 /nfs/dbraw/zinc/75/29/65/1091752965.db2.gz HWFKFJPKBWSWGQ-UHFFFAOYSA-N 1 0 306.425 3.370 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC001140182212 1091793011 /nfs/dbraw/zinc/79/30/11/1091793011.db2.gz KPHHZJJQADNBII-CQSZACIVSA-N 1 0 305.418 3.173 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC001140183660 1091793192 /nfs/dbraw/zinc/79/31/92/1091793192.db2.gz FQJIRLYHGIWGMZ-UHFFFAOYSA-N 1 0 309.413 3.235 20 10 DGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(C)ccc(C)c3O)C2)o1 ZINC001140183669 1091794185 /nfs/dbraw/zinc/79/41/85/1091794185.db2.gz FTAITCTUNMCCCY-CQSZACIVSA-N 1 0 301.390 3.080 20 10 DGCDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140180909 1091794208 /nfs/dbraw/zinc/79/42/08/1091794208.db2.gz OESZCKXKDJOUSD-MJGOQNOKSA-N 1 0 319.445 3.027 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001140282500 1091814961 /nfs/dbraw/zinc/81/49/61/1091814961.db2.gz BICJIPPNTDDQFJ-QZTJIDSGSA-N 1 0 314.473 3.270 20 10 DGCDRO CCOC(=O)C(CC)(CC)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC001207036536 1091825398 /nfs/dbraw/zinc/82/53/98/1091825398.db2.gz ZRUQUPREAQDYCL-UHFFFAOYSA-N 1 0 323.433 3.168 20 10 DGCDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461844 1091873772 /nfs/dbraw/zinc/87/37/72/1091873772.db2.gz VIKRITCDQHDWEG-AWEZNQCLSA-N 1 0 324.852 3.126 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001140465223 1091876129 /nfs/dbraw/zinc/87/61/29/1091876129.db2.gz IUVJVZDPUKHQOU-CYBMUJFWSA-N 1 0 303.736 3.046 20 10 DGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)o1 ZINC001140464113 1091876213 /nfs/dbraw/zinc/87/62/13/1091876213.db2.gz BWIYXNSNXLZZNU-GFCCVEGCSA-N 1 0 307.781 3.117 20 10 DGCDRO Cc1ccnn1C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464237 1091876873 /nfs/dbraw/zinc/87/68/73/1091876873.db2.gz HWXZQNBFAGTPQV-UHFFFAOYSA-N 1 0 305.809 3.388 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140463113 1091877042 /nfs/dbraw/zinc/87/70/42/1091877042.db2.gz SRGSGSKSVOUUMR-LBPRGKRZSA-N 1 0 311.809 3.211 20 10 DGCDRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)no1 ZINC001140462587 1091877217 /nfs/dbraw/zinc/87/72/17/1091877217.db2.gz IXTDSZJTPQEREU-GFCCVEGCSA-N 1 0 307.781 3.117 20 10 DGCDRO Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140468337 1091878365 /nfs/dbraw/zinc/87/83/65/1091878365.db2.gz GOYYBTJGWFXHMN-OAHLLOKOSA-N 1 0 318.804 3.402 20 10 DGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC001140523893 1091895925 /nfs/dbraw/zinc/89/59/25/1091895925.db2.gz FWEMYMJZFZARAX-UHFFFAOYSA-N 1 0 318.442 3.233 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccc(F)cc3F)CC2)c1 ZINC001140623613 1091936399 /nfs/dbraw/zinc/93/63/99/1091936399.db2.gz YBJGHRKHIBZJNQ-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c1 ZINC001140624343 1091936632 /nfs/dbraw/zinc/93/66/32/1091936632.db2.gz RVXZGHUTVGKIEK-MRXNPFEDSA-N 1 0 324.424 3.047 20 10 DGCDRO C[C@@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660178 1091949451 /nfs/dbraw/zinc/94/94/51/1091949451.db2.gz IKZJHRLQGOOSGU-OAHLLOKOSA-N 1 0 306.425 3.284 20 10 DGCDRO C[C@@]1(F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660437 1091949919 /nfs/dbraw/zinc/94/99/19/1091949919.db2.gz RQMLTRQPJVQAAM-GOSISDBHSA-N 1 0 324.415 3.376 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC2CCC1CC2 ZINC001140663423 1091950589 /nfs/dbraw/zinc/95/05/89/1091950589.db2.gz DJXMHCKGJJLEAM-UHFFFAOYSA-N 1 0 304.409 3.037 20 10 DGCDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140748180 1091985373 /nfs/dbraw/zinc/98/53/73/1091985373.db2.gz UAEDDGGKUJIHQL-ZDUSSCGKSA-N 1 0 315.413 3.478 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c1O ZINC001140748130 1091985885 /nfs/dbraw/zinc/98/58/85/1091985885.db2.gz RQLAPSDTAMJOKW-AWEZNQCLSA-N 1 0 321.417 3.102 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC)CCCC(=O)OC)c(O)c1 ZINC001140850311 1092028417 /nfs/dbraw/zinc/02/84/17/1092028417.db2.gz IQRSBXNWFFPVSH-UHFFFAOYSA-N 1 0 322.449 3.014 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(COC)CC2)c(O)c1 ZINC001140851836 1092028490 /nfs/dbraw/zinc/02/84/90/1092028490.db2.gz QRGVFLDOERAEEW-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3cnccc3C2)c(O)c1 ZINC001140850664 1092029639 /nfs/dbraw/zinc/02/96/39/1092029639.db2.gz PWRZYBPBQBMKPD-UHFFFAOYSA-N 1 0 311.429 3.192 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCOC(C)(C)C2)c(O)c1 ZINC001140855023 1092030275 /nfs/dbraw/zinc/03/02/75/1092030275.db2.gz KLSPUKOWMZLXIN-UHFFFAOYSA-N 1 0 306.450 3.239 20 10 DGCDRO C[C@H]1C[C@H]2C[N@H+](Cc3ccc(N(C)C)cc3Cl)CC[C@H]2O1 ZINC001140922375 1092062234 /nfs/dbraw/zinc/06/22/34/1092062234.db2.gz OVSHUCYFCLOJOC-RVSPLBMKSA-N 1 0 308.853 3.405 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)CCC[C@]1(C)O ZINC001140921310 1092062680 /nfs/dbraw/zinc/06/26/80/1092062680.db2.gz ATCGNXMNRJPLTG-DYVFJYSZSA-N 1 0 310.869 3.389 20 10 DGCDRO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3)C[C@@H]2C)c(O)c1 ZINC001140949694 1092074129 /nfs/dbraw/zinc/07/41/29/1092074129.db2.gz IMCWPNRZPXWGRL-KRWDZBQOSA-N 1 0 310.441 3.407 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c(O)c1 ZINC001140949818 1092075993 /nfs/dbraw/zinc/07/59/93/1092075993.db2.gz MHODKXJEAQYYPW-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3F)CC2)c(O)c1 ZINC001140950854 1092076808 /nfs/dbraw/zinc/07/68/08/1092076808.db2.gz LALDWUDEYMHCHI-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(O)c1 ZINC001140953574 1092078164 /nfs/dbraw/zinc/07/81/64/1092078164.db2.gz CEZVYOHVZQEUFL-UYAOXDASSA-N 1 0 322.452 3.407 20 10 DGCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140952392 1092078454 /nfs/dbraw/zinc/07/84/54/1092078454.db2.gz PXGJBJUISWOYLX-VQIMIIECSA-N 1 0 319.445 3.108 20 10 DGCDRO Cc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC001140955274 1092079086 /nfs/dbraw/zinc/07/90/86/1092079086.db2.gz RTBNBFUYDJTQAK-HIFRSBDPSA-N 1 0 320.433 3.188 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3ccsc3C2)c(OC)c1 ZINC001141028291 1092110677 /nfs/dbraw/zinc/11/06/77/1092110677.db2.gz JRJGZVXMDIABIC-UHFFFAOYSA-N 1 0 305.399 3.029 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccccn2)c(OC)c1 ZINC001141028459 1092111372 /nfs/dbraw/zinc/11/13/72/1092111372.db2.gz PGDKDQNRORSDSP-INIZCTEOSA-N 1 0 314.385 3.142 20 10 DGCDRO COc1cc(O)c(CN2CCc3cc(F)ccc3C2)c(OC)c1 ZINC001141030954 1092112997 /nfs/dbraw/zinc/11/29/97/1092112997.db2.gz SBVQKAJETLEFFB-UHFFFAOYSA-N 1 0 317.360 3.107 20 10 DGCDRO COc1cccc2c1C[N@H+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141140424 1092147862 /nfs/dbraw/zinc/14/78/62/1092147862.db2.gz LSDFFFUCYWJNII-UHFFFAOYSA-N 1 0 324.424 3.082 20 10 DGCDRO COc1ccccc1C[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143118 1092148034 /nfs/dbraw/zinc/14/80/34/1092148034.db2.gz OIBQXGRSNJFPLE-UHFFFAOYSA-N 1 0 312.413 3.156 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)CCC1(F)F ZINC001141139723 1092148466 /nfs/dbraw/zinc/14/84/66/1092148466.db2.gz ADRBSYRGHRYABI-CYBMUJFWSA-N 1 0 310.388 3.382 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC(COc3ccccc3)CC2)c1 ZINC001141158666 1092155401 /nfs/dbraw/zinc/15/54/01/1092155401.db2.gz IWEHAVOAYKBGSE-UHFFFAOYSA-N 1 0 313.397 3.389 20 10 DGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c1 ZINC001141158802 1092155508 /nfs/dbraw/zinc/15/55/08/1092155508.db2.gz NONQZVNRNVHCLY-CQSZACIVSA-N 1 0 321.323 3.029 20 10 DGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c1 ZINC001141158801 1092155769 /nfs/dbraw/zinc/15/57/69/1092155769.db2.gz NONQZVNRNVHCLY-AWEZNQCLSA-N 1 0 321.323 3.029 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC001141155889 1092155943 /nfs/dbraw/zinc/15/59/43/1092155943.db2.gz NOFMKHOYWQVCNU-UHFFFAOYSA-N 1 0 318.804 3.073 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC001141159058 1092156184 /nfs/dbraw/zinc/15/61/84/1092156184.db2.gz XHRZGNHAPWNKKZ-UHFFFAOYSA-N 1 0 313.397 3.279 20 10 DGCDRO C[N@H+](Cc1cccc(Br)c1)Cc1cc(O)ccc1O ZINC001141156116 1092156229 /nfs/dbraw/zinc/15/62/29/1092156229.db2.gz FWASAIMCNHIXGQ-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(O)ccc1O ZINC001141162438 1092157745 /nfs/dbraw/zinc/15/77/45/1092157745.db2.gz RLDATIFAKDRWTC-CYBMUJFWSA-N 1 0 301.386 3.169 20 10 DGCDRO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530956 1092494489 /nfs/dbraw/zinc/49/44/89/1092494489.db2.gz MODBASDAHSNMRL-ZDUSSCGKSA-N 1 0 317.335 3.375 20 10 DGCDRO Cn1nc(-c2ccccc2)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001143014864 1092604475 /nfs/dbraw/zinc/60/44/75/1092604475.db2.gz ATLBQZYRGVRMHA-UHFFFAOYSA-N 1 0 319.408 3.351 20 10 DGCDRO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001143107871 1092616370 /nfs/dbraw/zinc/61/63/70/1092616370.db2.gz DPIDPZRMCPCVQF-XYPWUTKMSA-N 1 0 319.445 3.068 20 10 DGCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110580 1092616408 /nfs/dbraw/zinc/61/64/08/1092616408.db2.gz JZOIANQOKQKTOX-CQSZACIVSA-N 1 0 305.418 3.075 20 10 DGCDRO Cc1noc([C@@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3O)C2)n1 ZINC001143111324 1092616818 /nfs/dbraw/zinc/61/68/18/1092616818.db2.gz BDYVMPFSRYNSAB-CQSZACIVSA-N 1 0 315.417 3.371 20 10 DGCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143111828 1092617020 /nfs/dbraw/zinc/61/70/20/1092617020.db2.gz GRAXNXQBBRKHHL-AWEZNQCLSA-N 1 0 319.445 3.465 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC001143117233 1092618516 /nfs/dbraw/zinc/61/85/16/1092618516.db2.gz YWLFGSGPPWNEDU-HNNXBMFYSA-N 1 0 314.433 3.118 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc2nonc21 ZINC001203136628 1092649108 /nfs/dbraw/zinc/64/91/08/1092649108.db2.gz SUHCODSJPJTHQM-UHFFFAOYSA-N 1 0 322.412 3.455 20 10 DGCDRO COc1ccc(N2CC[NH+](CCc3cccs3)CC2)c(C)c1 ZINC001209229095 1092705756 /nfs/dbraw/zinc/70/57/56/1092705756.db2.gz VOLJJSGBTYMNCK-UHFFFAOYSA-N 1 0 316.470 3.430 20 10 DGCDRO Oc1cc2c(cc1O)C[N@H+](CCc1ccc(F)c(F)c1)CCC2 ZINC001209246053 1092712931 /nfs/dbraw/zinc/71/29/31/1092712931.db2.gz MQMSPCCGACINQV-UHFFFAOYSA-N 1 0 319.351 3.367 20 10 DGCDRO COC1CCC(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001209400774 1092757938 /nfs/dbraw/zinc/75/79/38/1092757938.db2.gz YKGHXXYDFGZXSP-UHFFFAOYSA-N 1 0 305.418 3.051 20 10 DGCDRO Cc1[nH]c2ncccc2c1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209592571 1092841064 /nfs/dbraw/zinc/84/10/64/1092841064.db2.gz HTMWMKUTXFHBTB-UHFFFAOYSA-N 1 0 323.396 3.231 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210355006 1093135267 /nfs/dbraw/zinc/13/52/67/1093135267.db2.gz GZZBGKGSUJAHDG-KRWDZBQOSA-N 1 0 316.832 3.062 20 10 DGCDRO COc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)c(O)c1OC ZINC001119954579 1094320800 /nfs/dbraw/zinc/32/08/00/1094320800.db2.gz RBPPQJSNROYHIW-UHFFFAOYSA-N 1 0 322.430 3.199 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001120361736 1094413663 /nfs/dbraw/zinc/41/36/63/1094413663.db2.gz BFFWLAPBFTYCIR-DKIXSGTJSA-N 1 0 309.409 3.497 20 10 DGCDRO C[C@@H]1C[NH2+]C[C@@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001217703527 1094477834 /nfs/dbraw/zinc/47/78/34/1094477834.db2.gz VOCQPDILEZGHTB-ZFWWWQNUSA-N 1 0 308.385 3.240 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cn2ccnc2s1 ZINC001336253390 1094604780 /nfs/dbraw/zinc/60/47/80/1094604780.db2.gz LLCBXKKLPCBDFY-UHFFFAOYSA-N 1 0 300.431 3.060 20 10 DGCDRO Cc1nc(CC[NH2+]Cc2ccc(N3CCCC3)cc2)cs1 ZINC000218207040 1094664842 /nfs/dbraw/zinc/66/48/42/1094664842.db2.gz APUKUCKPQRACRC-UHFFFAOYSA-N 1 0 301.459 3.384 20 10 DGCDRO Cc1cc(CNC(=O)C[N@@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001170858850 1094720039 /nfs/dbraw/zinc/72/00/39/1094720039.db2.gz SIXPMDNNSVGUDJ-UHFFFAOYSA-N 1 0 313.445 3.051 20 10 DGCDRO C[C@@H]1[NH2+]C[C@@H]1Oc1cc(N(C)C)ccc1/N=N/c1ccccn1 ZINC001218394894 1094746882 /nfs/dbraw/zinc/74/68/82/1094746882.db2.gz ZMYLMCFVONOVIC-FQRUGJSJSA-N 1 0 311.389 3.302 20 10 DGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(N)cc3)C2)cc1F ZINC001337838282 1095112987 /nfs/dbraw/zinc/11/29/87/1095112987.db2.gz NEZKRSXUIZXKPJ-OAHLLOKOSA-N 1 0 300.377 3.406 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN(C)C2CCCC2)cc1 ZINC000316047956 1095156326 /nfs/dbraw/zinc/15/63/26/1095156326.db2.gz DHTNLPILVKXRJB-UHFFFAOYSA-N 1 0 303.494 3.497 20 10 DGCDRO CCCC(C[NH3+])(CCC)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001221372985 1095252578 /nfs/dbraw/zinc/25/25/78/1095252578.db2.gz UZMGJSNXOLLETL-FMIVXFBMSA-N 1 0 317.477 3.180 20 10 DGCDRO Oc1ccc(CC[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)cc1O ZINC001171098879 1095356543 /nfs/dbraw/zinc/35/65/43/1095356543.db2.gz FYGPZSSPKHVHLE-MRXNPFEDSA-N 1 0 317.816 3.441 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001626161043 1095390395 /nfs/dbraw/zinc/39/03/95/1095390395.db2.gz UZKKCDLDFGKXSJ-QGZVFWFLSA-N 1 0 318.461 3.394 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277828 1095525037 /nfs/dbraw/zinc/52/50/37/1095525037.db2.gz SUVASBFVWSLESD-INIZCTEOSA-N 1 0 312.816 3.150 20 10 DGCDRO CCCNC(=O)C[N@H+](CCC)Cc1ccc(N2CCCC2)cc1 ZINC001116442446 1095553669 /nfs/dbraw/zinc/55/36/69/1095553669.db2.gz XDURZUXTHYYWSJ-UHFFFAOYSA-N 1 0 317.477 3.025 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC001116445240 1095556978 /nfs/dbraw/zinc/55/69/78/1095556978.db2.gz JKBSBIDZUIUQKQ-UHFFFAOYSA-N 1 0 300.446 3.432 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222345066 1095564070 /nfs/dbraw/zinc/56/40/70/1095564070.db2.gz HUSHRUXGBJLJNK-IBGZPJMESA-N 1 0 301.478 3.251 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@@]3(CCCC[NH2+]3)C2)c(Cl)c1 ZINC001222395663 1095592507 /nfs/dbraw/zinc/59/25/07/1095592507.db2.gz MYEDSYRBVVPAEM-KRWDZBQOSA-N 1 0 324.852 3.162 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC001116584287 1095608999 /nfs/dbraw/zinc/60/89/99/1095608999.db2.gz CZLVPKIUZYCLGH-DFTPQRALSA-N 1 0 309.409 3.497 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCN1CCCCC1=O ZINC001116585287 1095609096 /nfs/dbraw/zinc/60/90/96/1095609096.db2.gz WLZRCMFHLVFCRD-CABCVRRESA-N 1 0 316.445 3.241 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC001339414839 1095617588 /nfs/dbraw/zinc/61/75/88/1095617588.db2.gz QSPXEAZOCUJPEB-GOSISDBHSA-N 1 0 316.470 3.346 20 10 DGCDRO C[C@H]([NH3+])c1ccc(NCc2cc(Br)ccc2O)cn1 ZINC001171175793 1095643271 /nfs/dbraw/zinc/64/32/71/1095643271.db2.gz DQQFNPLWMILJKG-VIFPVBQESA-N 1 0 322.206 3.182 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC001339657807 1095690279 /nfs/dbraw/zinc/69/02/79/1095690279.db2.gz HLZQEYUJCOBHES-UVBSCNOISA-N 1 0 310.397 3.065 20 10 DGCDRO CC1(c2ccccc2)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515804 1095699878 /nfs/dbraw/zinc/69/98/78/1095699878.db2.gz FYDBOSVPVQAVQF-UHFFFAOYSA-N 1 0 313.397 3.357 20 10 DGCDRO [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629151 1095700276 /nfs/dbraw/zinc/70/02/76/1095700276.db2.gz CAOBMWSRIOFXPT-PHIMTYICSA-N 1 0 315.244 3.130 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)c(O)c1 ZINC001144514731 1095700599 /nfs/dbraw/zinc/70/05/99/1095700599.db2.gz QBQYOBNEYMAZKA-LLVKDONJSA-N 1 0 319.788 3.446 20 10 DGCDRO Cc1noc(C(C)(C)NCc2ccc(N3CCCC3)cc2)n1 ZINC001117066787 1095711325 /nfs/dbraw/zinc/71/13/25/1095711325.db2.gz UYGPBJLFXBOALW-UHFFFAOYSA-N 1 0 300.406 3.003 20 10 DGCDRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1c([O-])cccc1F ZINC001137839997 1095759341 /nfs/dbraw/zinc/75/93/41/1095759341.db2.gz OYVHINYYVCWCED-UHFFFAOYSA-N 1 0 303.377 3.304 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C[C@H](O)Cc1ccccc1 ZINC001117364207 1095764442 /nfs/dbraw/zinc/76/44/42/1095764442.db2.gz UKZKWOHVOLMPKR-USXIJHARSA-N 1 0 311.425 3.442 20 10 DGCDRO COC(=O)CC[N@H+](C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859048 1095769920 /nfs/dbraw/zinc/76/99/20/1095769920.db2.gz GQLLPXZCHCANFN-UHFFFAOYSA-N 1 0 300.402 3.089 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c(O)c1 ZINC001117749721 1095832745 /nfs/dbraw/zinc/83/27/45/1095832745.db2.gz AEIGXYVSJGKAAH-RDJZCZTQSA-N 1 0 321.461 3.085 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001138127921 1095899274 /nfs/dbraw/zinc/89/92/74/1095899274.db2.gz VYPRTJKNFLQXDI-UHFFFAOYSA-N 1 0 319.351 3.154 20 10 DGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2ccccc21 ZINC001118847448 1096090600 /nfs/dbraw/zinc/09/06/00/1096090600.db2.gz MNRQXBWGBGWNPA-LJQANCHMSA-N 1 0 324.424 3.025 20 10 DGCDRO C[C@@H]([NH2+]CCCC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC001119606710 1096231405 /nfs/dbraw/zinc/23/14/05/1096231405.db2.gz RENUXTWQJLFFFI-GFCCVEGCSA-N 1 0 316.367 3.358 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC001119606939 1096231329 /nfs/dbraw/zinc/23/13/29/1096231329.db2.gz UXOKISUAXULVOH-CLCXKQKWSA-N 1 0 319.445 3.423 20 10 DGCDRO Cc1csc(CCC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC001119677224 1096243468 /nfs/dbraw/zinc/24/34/68/1096243468.db2.gz DBYAUGHAOLJZST-UHFFFAOYSA-N 1 0 302.443 3.499 20 10 DGCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171504779 1096913881 /nfs/dbraw/zinc/91/38/81/1096913881.db2.gz BBTAFKVZWXYGLN-GFCCVEGCSA-N 1 0 307.315 3.457 20 10 DGCDRO CC(C)OCC[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC001172441719 1097155035 /nfs/dbraw/zinc/15/50/35/1097155035.db2.gz OQWYSVOGDBSPGC-NSHDSACASA-N 1 0 316.239 3.448 20 10 DGCDRO CC(C)COCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001172455371 1097160075 /nfs/dbraw/zinc/16/00/75/1097160075.db2.gz RHUFYKFZWPUSGD-QGZVFWFLSA-N 1 0 320.477 3.064 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001172591856 1097189506 /nfs/dbraw/zinc/18/95/06/1097189506.db2.gz LNDHJVSYMKGLBR-SJORKVTESA-N 1 0 316.445 3.108 20 10 DGCDRO CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001172752124 1097226198 /nfs/dbraw/zinc/22/61/98/1097226198.db2.gz DPQWCQXHSXXHEG-INIZCTEOSA-N 1 0 318.461 3.497 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172808210 1097244731 /nfs/dbraw/zinc/24/47/31/1097244731.db2.gz SBVIEIHFSKLTRY-GOEBONIOSA-N 1 0 305.418 3.336 20 10 DGCDRO Cc1cc(C)c(C[NH2+]C2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC001173664152 1097486336 /nfs/dbraw/zinc/48/63/36/1097486336.db2.gz RWFQMFMJTPPLAS-UHFFFAOYSA-N 1 0 316.367 3.125 20 10 DGCDRO Cc1c[nH+]ccc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001174539715 1097748813 /nfs/dbraw/zinc/74/88/13/1097748813.db2.gz NKBRWZJQTVGLRD-UHFFFAOYSA-N 1 0 319.364 3.357 20 10 DGCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@H]2C)c1O ZINC001231548218 1097777227 /nfs/dbraw/zinc/77/72/27/1097777227.db2.gz PYYMBOCQIPNJTJ-SECBINFHSA-N 1 0 300.196 3.148 20 10 DGCDRO CCC[N@H+](CC)Cc1c(Br)ccc(OC)c1O ZINC001231547404 1097777791 /nfs/dbraw/zinc/77/77/91/1097777791.db2.gz FKGWRKJSEKVQPK-UHFFFAOYSA-N 1 0 302.212 3.395 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001231590116 1097785617 /nfs/dbraw/zinc/78/56/17/1097785617.db2.gz KICHLNMJYQNCRU-UHFFFAOYSA-N 1 0 314.404 3.164 20 10 DGCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)c1 ZINC001231594338 1097788145 /nfs/dbraw/zinc/78/81/45/1097788145.db2.gz BRHLBTFFOCPQHU-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2ccc(Cl)cc2)c(O)cc1O ZINC001231636527 1097796631 /nfs/dbraw/zinc/79/66/31/1097796631.db2.gz XJXHBQWRKKQEDW-UHFFFAOYSA-N 1 0 321.804 3.434 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001231842612 1097860373 /nfs/dbraw/zinc/86/03/73/1097860373.db2.gz VERCYFFTRUSOJT-UHFFFAOYSA-N 1 0 320.433 3.062 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001231841254 1097860568 /nfs/dbraw/zinc/86/05/68/1097860568.db2.gz ABBDVLYJMAUPGI-OAHLLOKOSA-N 1 0 317.351 3.288 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCC(Oc3cccnc3)CC2)c(O)c1 ZINC001231845490 1097862250 /nfs/dbraw/zinc/86/22/50/1097862250.db2.gz NASISWHVBCTQHT-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2CN2CCCC2)c(O)c1 ZINC001231846024 1097862361 /nfs/dbraw/zinc/86/23/61/1097862361.db2.gz YJPKDHNKCILHPR-KRWDZBQOSA-N 1 0 302.462 3.459 20 10 DGCDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231844109 1097862417 /nfs/dbraw/zinc/86/24/17/1097862417.db2.gz DZPZKOJPJZSEHQ-MOPGFXCFSA-N 1 0 319.445 3.027 20 10 DGCDRO Cc1nc(C2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)no1 ZINC001231847063 1097862771 /nfs/dbraw/zinc/86/27/71/1097862771.db2.gz UYANYLRWOVZMLP-UHFFFAOYSA-N 1 0 301.390 3.080 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c(O)c1 ZINC001231850393 1097864314 /nfs/dbraw/zinc/86/43/14/1097864314.db2.gz OJMLNNBGNOQIFV-GOSISDBHSA-N 1 0 311.425 3.453 20 10 DGCDRO CC[NH+](CC)C1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231853760 1097865809 /nfs/dbraw/zinc/86/58/09/1097865809.db2.gz QCJXNHSTJZQLLI-UHFFFAOYSA-N 1 0 319.493 3.067 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001231869975 1097870437 /nfs/dbraw/zinc/87/04/37/1097870437.db2.gz CTJMDICLYNUOBL-CQSZACIVSA-N 1 0 317.763 3.354 20 10 DGCDRO O=C1CCC[C@]2(CCC[N@@H+](Cc3ccc4ccccc4c3O)C2)N1 ZINC001231880549 1097878202 /nfs/dbraw/zinc/87/82/02/1097878202.db2.gz ORBIXGQZVOUCHR-HXUWFJFHSA-N 1 0 324.424 3.180 20 10 DGCDRO O=C1OCCC12CC[NH+](Cc1ccc3ccccc3c1O)CC2 ZINC001231883311 1097879661 /nfs/dbraw/zinc/87/96/61/1097879661.db2.gz NXYKNZNTCRBJGK-UHFFFAOYSA-N 1 0 311.381 3.075 20 10 DGCDRO O=C1CCC2(CC[NH+](Cc3ccc4ccccc4c3O)CC2)O1 ZINC001231882203 1097879742 /nfs/dbraw/zinc/87/97/42/1097879742.db2.gz MYZAHAAXCVDHBH-UHFFFAOYSA-N 1 0 311.381 3.217 20 10 DGCDRO CCN(CC[NH+]1CCCCC1)Cc1cc(Cl)c(O)cc1O ZINC001232262768 1097984453 /nfs/dbraw/zinc/98/44/53/1097984453.db2.gz PCFCWLKPCAGAHR-UHFFFAOYSA-N 1 0 312.841 3.059 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1Cl ZINC001232261968 1097985218 /nfs/dbraw/zinc/98/52/18/1097985218.db2.gz VZNIINFNGSBMSU-CQSZACIVSA-N 1 0 319.788 3.405 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2ccncc2)cc1Cl ZINC001232264486 1097987110 /nfs/dbraw/zinc/98/71/10/1097987110.db2.gz JCSNUUIGPSHCRC-UHFFFAOYSA-N 1 0 306.793 3.124 20 10 DGCDRO CC[N@H+](Cc1cccnc1)Cc1cc(Cl)c(OC)cc1O ZINC001232269922 1097988330 /nfs/dbraw/zinc/98/83/30/1097988330.db2.gz NQIHSURGWQZXOP-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)OC)cc1Cl ZINC001232269519 1097988946 /nfs/dbraw/zinc/98/89/46/1097988946.db2.gz CVNAOTITNSNEHX-HNNXBMFYSA-N 1 0 313.825 3.444 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCCC[C@@H]2C)c2ccccc2n1C ZINC001232401040 1098028666 /nfs/dbraw/zinc/02/86/66/1098028666.db2.gz DVPVZUOGQASQFN-ZDUSSCGKSA-N 1 0 300.402 3.339 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CC[C@](C)(CF)C2)c2ccccc2n1C ZINC001232403148 1098028896 /nfs/dbraw/zinc/02/88/96/1098028896.db2.gz VHIFSPKXQGQXEG-GOSISDBHSA-N 1 0 318.392 3.146 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H](C)C2)c2ccccc2n1C ZINC001232400950 1098029038 /nfs/dbraw/zinc/02/90/38/1098029038.db2.gz BXQNBNLAXXZSMC-CYBMUJFWSA-N 1 0 300.402 3.197 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2O)cc1 ZINC001232835971 1098149146 /nfs/dbraw/zinc/14/91/46/1098149146.db2.gz JGJGRWGNLYIJRB-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001232839805 1098149320 /nfs/dbraw/zinc/14/93/20/1098149320.db2.gz VYAILGQYUPAGON-OAHLLOKOSA-N 1 0 311.429 3.233 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)c(O)c1 ZINC001232839378 1098149457 /nfs/dbraw/zinc/14/94/57/1098149457.db2.gz IGOJEJHTWZYICQ-AWEZNQCLSA-N 1 0 303.431 3.252 20 10 DGCDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(N(C)C)cc1O ZINC001232840339 1098150629 /nfs/dbraw/zinc/15/06/29/1098150629.db2.gz TXUGHGDNOQNOPX-UHFFFAOYSA-N 1 0 313.445 3.308 20 10 DGCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccc(C[NH3+])cc1 ZINC001175967252 1098214882 /nfs/dbraw/zinc/21/48/82/1098214882.db2.gz WWLHYKKGWLNLNB-UKLSTIIHSA-N 1 0 318.384 3.413 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001233134717 1098234161 /nfs/dbraw/zinc/23/41/61/1098234161.db2.gz CPTWODQFNCVXMJ-VIFPVBQESA-N 1 0 300.196 3.148 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCCC23CC3)cc1Br ZINC001233135328 1098235099 /nfs/dbraw/zinc/23/50/99/1098235099.db2.gz PYPIRINKSVDLIC-UHFFFAOYSA-N 1 0 312.207 3.292 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC001233284486 1098275104 /nfs/dbraw/zinc/27/51/04/1098275104.db2.gz WTXJDZDTZQFRHD-AWEZNQCLSA-N 1 0 313.388 3.139 20 10 DGCDRO CN1CCC[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@H]21 ZINC001233286815 1098275651 /nfs/dbraw/zinc/27/56/51/1098275651.db2.gz JQNRKSVYDMCPAE-RHSMWYFYSA-N 1 0 302.462 3.216 20 10 DGCDRO CN1C[C@H]2[C@H](C1)CCC[N@@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001233286203 1098275713 /nfs/dbraw/zinc/27/57/13/1098275713.db2.gz JPVIWNCRZVMVBW-YOEHRIQHSA-N 1 0 302.462 3.216 20 10 DGCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286735 1098275936 /nfs/dbraw/zinc/27/59/36/1098275936.db2.gz HCSXXXNBKMYUTR-KRWDZBQOSA-N 1 0 318.461 3.132 20 10 DGCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286461 1098276630 /nfs/dbraw/zinc/27/66/30/1098276630.db2.gz UWHPIPOGBPBEBX-CQSZACIVSA-N 1 0 319.445 3.465 20 10 DGCDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233287234 1098276641 /nfs/dbraw/zinc/27/66/41/1098276641.db2.gz CUKMMMUPPWXCQL-ISTRZQFTSA-N 1 0 317.429 3.216 20 10 DGCDRO CC(C)[NH+]1CCC(C[N@H+](C)Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334290 1098291611 /nfs/dbraw/zinc/29/16/11/1098291611.db2.gz AQBHDRCPAOFYNL-UHFFFAOYSA-N 1 0 312.404 3.223 20 10 DGCDRO CCCC[NH+]1CCC(N(C)Cc2c(O)ccc(F)c2F)CC1 ZINC001233336695 1098294350 /nfs/dbraw/zinc/29/43/50/1098294350.db2.gz VYYULTAIFSPSBA-UHFFFAOYSA-N 1 0 312.404 3.367 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001233451886 1098338537 /nfs/dbraw/zinc/33/85/37/1098338537.db2.gz CNRXKIJBUZEJGV-HNNXBMFYSA-N 1 0 315.335 3.414 20 10 DGCDRO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454628 1098339375 /nfs/dbraw/zinc/33/93/75/1098339375.db2.gz COVYMNJIEHCQNX-NSHDSACASA-N 1 0 301.308 3.212 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CC([NH+]2CCCCC2)C1 ZINC001233455118 1098339799 /nfs/dbraw/zinc/33/97/99/1098339799.db2.gz XCYUZCQRQUVVFH-UHFFFAOYSA-N 1 0 314.351 3.081 20 10 DGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)cc1 ZINC001233485457 1098346359 /nfs/dbraw/zinc/34/63/59/1098346359.db2.gz WNRAHLQLKJDOPU-OAHLLOKOSA-N 1 0 315.369 3.149 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1O ZINC001233485702 1098347744 /nfs/dbraw/zinc/34/77/44/1098347744.db2.gz HRUDBCVVLCOJBI-AWEZNQCLSA-N 1 0 317.410 3.094 20 10 DGCDRO COC(=O)C[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)C(C)(C)C ZINC001176463477 1098357504 /nfs/dbraw/zinc/35/75/04/1098357504.db2.gz HDQPPTGRWRDFHP-INIZCTEOSA-N 1 0 306.450 3.128 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OC ZINC001177117490 1098473058 /nfs/dbraw/zinc/47/30/58/1098473058.db2.gz WVXQDZWVPQQUBN-GOSISDBHSA-N 1 0 315.413 3.055 20 10 DGCDRO C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCC(C)CC1 ZINC001177548876 1098554778 /nfs/dbraw/zinc/55/47/78/1098554778.db2.gz VQODBOWPHNPBNX-OOFWQKGWSA-N 1 0 315.505 3.476 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC[C@@H]3C(C)C)c2c1 ZINC001234561867 1098599632 /nfs/dbraw/zinc/59/96/32/1098599632.db2.gz DQQVFXNUUHPXPH-GOSISDBHSA-N 1 0 315.413 3.411 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234998372 1098741356 /nfs/dbraw/zinc/74/13/56/1098741356.db2.gz ICEFIRDVGPRRFE-HNNXBMFYSA-N 1 0 315.244 3.275 20 10 DGCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234999029 1098743412 /nfs/dbraw/zinc/74/34/12/1098743412.db2.gz QBZPIMYAEHUOMN-SFHVURJKSA-N 1 0 324.424 3.112 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235018683 1098752791 /nfs/dbraw/zinc/75/27/91/1098752791.db2.gz SAGICMUOUIJTHR-AZUAARDMSA-N 1 0 309.457 3.278 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038901 1098765381 /nfs/dbraw/zinc/76/53/81/1098765381.db2.gz LAQXVGVSCHPFIR-INIZCTEOSA-N 1 0 312.816 3.293 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038583 1098767325 /nfs/dbraw/zinc/76/73/25/1098767325.db2.gz KDZRPYDZPZBCSF-INIZCTEOSA-N 1 0 312.816 3.293 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235111143 1098810902 /nfs/dbraw/zinc/81/09/02/1098810902.db2.gz PAOMQKVIXKWLDP-HXUWFJFHSA-N 1 0 309.457 3.422 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235129675 1098826221 /nfs/dbraw/zinc/82/62/21/1098826221.db2.gz NTEUYRCQJIPZOK-HNNXBMFYSA-N 1 0 314.351 3.129 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235160722 1098847431 /nfs/dbraw/zinc/84/74/31/1098847431.db2.gz QKVGLJBVHSILAW-INIZCTEOSA-N 1 0 308.853 3.400 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1Cn1cccn1 ZINC001179060373 1099003476 /nfs/dbraw/zinc/00/34/76/1099003476.db2.gz OBOJTYUSABDUHV-CQSZACIVSA-N 1 0 301.434 3.464 20 10 DGCDRO [NH3+]C[C@]1(F)CCCCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001206369421 1099021324 /nfs/dbraw/zinc/02/13/24/1099021324.db2.gz DRFIDIRUCRGMJO-CQSZACIVSA-N 1 0 320.330 3.064 20 10 DGCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235679422 1099122429 /nfs/dbraw/zinc/12/24/29/1099122429.db2.gz ONGXJBUANXOLEA-DZGCQCFKSA-N 1 0 319.445 3.321 20 10 DGCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235679251 1099122482 /nfs/dbraw/zinc/12/24/82/1099122482.db2.gz DRECJZYGRQJLNV-KRWDZBQOSA-N 1 0 318.461 3.132 20 10 DGCDRO c1ccc2c(c1)CCO[C@H]2CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001179665483 1099169497 /nfs/dbraw/zinc/16/94/97/1099169497.db2.gz CWQWAVUKKBRMMI-FQEVSTJZSA-N 1 0 309.409 3.415 20 10 DGCDRO COCCCN(Cc1ccc(C(C)C)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235807936 1099189900 /nfs/dbraw/zinc/18/99/00/1099189900.db2.gz ABAFXHQJMTWAMV-SFHVURJKSA-N 1 0 320.477 3.106 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235850081 1099211390 /nfs/dbraw/zinc/21/13/90/1099211390.db2.gz QRILLPZUBOGREX-OAHLLOKOSA-N 1 0 316.832 3.062 20 10 DGCDRO CC(C)[C@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001179830213 1099213892 /nfs/dbraw/zinc/21/38/92/1099213892.db2.gz NKFUDALBSKJGSY-SFHVURJKSA-N 1 0 318.486 3.491 20 10 DGCDRO N[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@H]1F ZINC001235905876 1099249245 /nfs/dbraw/zinc/24/92/45/1099249245.db2.gz HODQSULDLFUOSG-SJORKVTESA-N 1 0 318.367 3.069 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCc3ccc(O)cc3CC2)c(O)c1 ZINC001179989088 1099266140 /nfs/dbraw/zinc/26/61/40/1099266140.db2.gz KYKZMWVXFGOOPF-UHFFFAOYSA-N 1 0 313.397 3.016 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCN(c3cccs3)CC2)c(O)c1 ZINC001180052786 1099295576 /nfs/dbraw/zinc/29/55/76/1099295576.db2.gz VFARMHZGUCQUQD-UHFFFAOYSA-N 1 0 318.442 3.093 20 10 DGCDRO CN(C)c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC001236094990 1099385212 /nfs/dbraw/zinc/38/52/12/1099385212.db2.gz KBEYIEOBFTTWCG-CALCHBBNSA-N 1 0 309.457 3.232 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC001236125671 1099412938 /nfs/dbraw/zinc/41/29/38/1099412938.db2.gz NDUOHHJKLNSQNJ-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO Cc1cc(C)c(CN2CC[NH2+]C[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001236128295 1099415478 /nfs/dbraw/zinc/41/54/78/1099415478.db2.gz IBBADMLAPSOEHX-SFHVURJKSA-N 1 0 314.404 3.295 20 10 DGCDRO CCCC[C@H]1CN(Cc2ccc3c(c2)CCCN3C)CC[NH2+]1 ZINC001236138854 1099424504 /nfs/dbraw/zinc/42/45/04/1099424504.db2.gz IMCCKDJNHFEKRF-SFHVURJKSA-N 1 0 301.478 3.033 20 10 DGCDRO C[NH2+][C@@H]1CCN1Cc1c(O)ccc2cc(Br)ccc21 ZINC001236165996 1099442344 /nfs/dbraw/zinc/44/23/44/1099442344.db2.gz CLBWLFBBNXJFOO-HNNXBMFYSA-N 1 0 321.218 3.059 20 10 DGCDRO CCCCN(CCCC)c1ccc(CN2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236172794 1099445653 /nfs/dbraw/zinc/44/56/53/1099445653.db2.gz GAESUKCTTJGYDP-QGZVFWFLSA-N 1 0 319.493 3.332 20 10 DGCDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC001180557688 1099455077 /nfs/dbraw/zinc/45/50/77/1099455077.db2.gz FEVCTYDHNXXSMK-IBGZPJMESA-N 1 0 310.441 3.407 20 10 DGCDRO C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])C1(C)CC[NH2+]CC1 ZINC001236226144 1099484253 /nfs/dbraw/zinc/48/42/53/1099484253.db2.gz KIAMTXWXQPJURB-UHFFFAOYSA-N 1 0 303.233 3.273 20 10 DGCDRO Cc1cccc(C)c1N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277728 1099490731 /nfs/dbraw/zinc/49/07/31/1099490731.db2.gz JJAYAQCPSDDMHE-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236242034 1099497642 /nfs/dbraw/zinc/49/76/42/1099497642.db2.gz VYVDFQDORQNRCF-FQEVSTJZSA-N 1 0 313.489 3.393 20 10 DGCDRO Oc1cccc(F)c1CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236270761 1099513043 /nfs/dbraw/zinc/51/30/43/1099513043.db2.gz VWANAAVTSHTCQG-INIZCTEOSA-N 1 0 314.404 3.286 20 10 DGCDRO Cc1ccnn1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203664606 1099560555 /nfs/dbraw/zinc/56/05/55/1099560555.db2.gz MTEVEHXIFWJJAE-UHFFFAOYSA-N 1 0 305.809 3.388 20 10 DGCDRO COc1cc(Cl)cc(CN(C(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236471158 1099631558 /nfs/dbraw/zinc/63/15/58/1099631558.db2.gz WPPCLCVBYDSVOT-CQSZACIVSA-N 1 0 312.841 3.017 20 10 DGCDRO CCN(CC)c1ccc(CN(C(C)C)[C@H]2CC[NH2+]C2)c(OC)c1 ZINC001236525671 1099660670 /nfs/dbraw/zinc/66/06/70/1099660670.db2.gz AOEWTFJZRRJOAW-SFHVURJKSA-N 1 0 319.493 3.114 20 10 DGCDRO CC(C)N(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236530104 1099664563 /nfs/dbraw/zinc/66/45/63/1099664563.db2.gz PEMIWWSQMKEDRW-LJQANCHMSA-N 1 0 301.478 3.249 20 10 DGCDRO [O-]c1c(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)ccc(F)c1F ZINC001236654644 1099726970 /nfs/dbraw/zinc/72/69/70/1099726970.db2.gz QOWBZZJMYNKPOQ-AWEZNQCLSA-N 1 0 310.388 3.167 20 10 DGCDRO C[N@H+](Cc1ccc(Br)c(O)c1)Cc1ccccc1O ZINC001236699412 1099748119 /nfs/dbraw/zinc/74/81/19/1099748119.db2.gz USHBIQRAHHAGBG-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO 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/nfs/dbraw/zinc/27/07/35/1105270735.db2.gz HSZWVLXZVVZPRV-OAHLLOKOSA-N 1 0 309.369 3.247 20 10 DGCDRO Cc1cc(C[N@@H+](C)[C@@H]2CCCOC2)c(O)cc1Br ZINC001250136571 1105451033 /nfs/dbraw/zinc/45/10/33/1105451033.db2.gz UYPVCSZOJFSVBC-GFCCVEGCSA-N 1 0 314.223 3.074 20 10 DGCDRO c1cc([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)n[nH]1 ZINC001253989330 1106007487 /nfs/dbraw/zinc/00/74/87/1106007487.db2.gz HSKHNYVIIJUJMP-KRWDZBQOSA-N 1 0 310.445 3.390 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001254184013 1106030254 /nfs/dbraw/zinc/03/02/54/1106030254.db2.gz IHPBKCHLLFKLBO-GFCCVEGCSA-N 1 0 309.406 3.001 20 10 DGCDRO Cc1cccnc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC001254453584 1106074494 /nfs/dbraw/zinc/07/44/94/1106074494.db2.gz JVRLCICSNKDMLB-UHFFFAOYSA-N 1 0 313.470 3.233 20 10 DGCDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)CCO2 ZINC001254538410 1106097985 /nfs/dbraw/zinc/09/79/85/1106097985.db2.gz UOMRQZTXVWNEOQ-ZDUSSCGKSA-N 1 0 312.369 3.251 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC001254548535 1106101125 /nfs/dbraw/zinc/10/11/25/1106101125.db2.gz NQMMUYVQVGVWLB-ZDUSSCGKSA-N 1 0 300.358 3.330 20 10 DGCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001257031393 1106526864 /nfs/dbraw/zinc/52/68/64/1106526864.db2.gz DXTPCMLHJSJESL-DLBZAZTESA-N 1 0 316.445 3.108 20 10 DGCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001257042368 1106528451 /nfs/dbraw/zinc/52/84/51/1106528451.db2.gz NYZYNPAUKCJUKA-DOTOQJQBSA-N 1 0 313.397 3.367 20 10 DGCDRO CCOC(=O)[C@H]1CC[C@@H]([N@H+](CC)Cc2ccc(N(C)C)cc2)C1 ZINC001257070200 1106533374 /nfs/dbraw/zinc/53/33/74/1106533374.db2.gz MRMRFAVNBHWQHL-FUHWJXTLSA-N 1 0 318.461 3.306 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCCSC2)C1 ZINC001257677017 1106619599 /nfs/dbraw/zinc/61/95/99/1106619599.db2.gz PMQSSKHGCMKIJI-CYBMUJFWSA-N 1 0 316.470 3.441 20 10 DGCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(O)c2O)cc1 ZINC001258392714 1106727783 /nfs/dbraw/zinc/72/77/83/1106727783.db2.gz DZJBGRXBEQAQHW-CYBMUJFWSA-N 1 0 301.386 3.217 20 10 DGCDRO CC(C)c1noc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC001320253434 1106938233 /nfs/dbraw/zinc/93/82/33/1106938233.db2.gz WAJYLXOYYAKOMV-JQWIXIFHSA-N 1 0 319.380 3.418 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCNc1ncccn1 ZINC001320411710 1106998930 /nfs/dbraw/zinc/99/89/30/1106998930.db2.gz RQBACTSIELEGHL-UONOGXRCSA-N 1 0 312.417 3.131 20 10 DGCDRO CCC[C@H](C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320490056 1107024137 /nfs/dbraw/zinc/02/41/37/1107024137.db2.gz JRABPPVGIUCUOS-HNNXBMFYSA-N 1 0 307.457 3.198 20 10 DGCDRO OCC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccco1 ZINC001320583168 1107061865 /nfs/dbraw/zinc/06/18/65/1107061865.db2.gz FHBXADYGMOBEEV-QGZVFWFLSA-N 1 0 300.402 3.093 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320765637 1107129866 /nfs/dbraw/zinc/12/98/66/1107129866.db2.gz YBBVYWPDYJLGOH-GOSISDBHSA-N 1 0 316.445 3.204 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)OC)cc1F ZINC001320835707 1107156622 /nfs/dbraw/zinc/15/66/22/1107156622.db2.gz AWVIFZWBQTYKFZ-GOEBONIOSA-N 1 0 322.424 3.103 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](CO)CC(F)(F)F ZINC001321037695 1107230416 /nfs/dbraw/zinc/23/04/16/1107230416.db2.gz PVOARIQGWPCXDV-VWYCJHECSA-N 1 0 303.324 3.152 20 10 DGCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001321101276 1107249640 /nfs/dbraw/zinc/24/96/40/1107249640.db2.gz QRFLBRLSGNFSFO-CVEARBPZSA-N 1 0 319.468 3.103 20 10 DGCDRO c1nn2ccccc2c1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001261177228 1107356753 /nfs/dbraw/zinc/35/67/53/1107356753.db2.gz ONLUGLWPRWUBCR-UHFFFAOYSA-N 1 0 306.413 3.224 20 10 DGCDRO CSC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCC1 ZINC001261788804 1107529862 /nfs/dbraw/zinc/52/98/62/1107529862.db2.gz JSILSGLFQVYRTK-UHFFFAOYSA-N 1 0 300.418 3.406 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001261790748 1107531026 /nfs/dbraw/zinc/53/10/26/1107531026.db2.gz UEPALRBXGMRBHA-AEGPPILISA-N 1 0 315.413 3.490 20 10 DGCDRO COc1cccc(F)c1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC001262376908 1107705252 /nfs/dbraw/zinc/70/52/52/1107705252.db2.gz GLONLJVHZFJBNW-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1cnn(CCF)c1 ZINC001262484991 1107716235 /nfs/dbraw/zinc/71/62/35/1107716235.db2.gz PFROJXDSYHKADT-OCCSQVGLSA-N 1 0 303.381 3.205 20 10 DGCDRO CC(C)C[N@H+](CCN(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001323727931 1108068294 /nfs/dbraw/zinc/06/82/94/1108068294.db2.gz HPFHWZOWHWKXLB-UHFFFAOYSA-N 1 0 303.494 3.306 20 10 DGCDRO COCC1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001324085672 1108172490 /nfs/dbraw/zinc/17/24/90/1108172490.db2.gz BEUKXXRRYINNON-CABCVRRESA-N 1 0 319.445 3.282 20 10 DGCDRO COCC1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001324085673 1108172986 /nfs/dbraw/zinc/17/29/86/1108172986.db2.gz BEUKXXRRYINNON-GJZGRUSLSA-N 1 0 319.445 3.282 20 10 DGCDRO Cn1cc([C@H]([NH2+][C@H]2CCc3cccc(O)c32)c2ccccc2)cn1 ZINC001324601141 1108368375 /nfs/dbraw/zinc/36/83/75/1108368375.db2.gz HNFRJEYMBKUWKY-FXAWDEMLSA-N 1 0 319.408 3.492 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001324965652 1108539632 /nfs/dbraw/zinc/53/96/32/1108539632.db2.gz RPVHMUMMIWKTLX-RRFJBIMHSA-N 1 0 318.461 3.391 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cc(Cl)ccc1O ZINC001325355582 1108630980 /nfs/dbraw/zinc/63/09/80/1108630980.db2.gz CWMBVLBAEFBAFV-QWHCGFSZSA-N 1 0 324.852 3.345 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC001319814293 1108648197 /nfs/dbraw/zinc/64/81/97/1108648197.db2.gz AMRRDHFWCTZDEP-QGZVFWFLSA-N 1 0 319.468 3.342 20 10 DGCDRO CC(C)[C@H](O)C1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319953850 1108712444 /nfs/dbraw/zinc/71/24/44/1108712444.db2.gz LORXIRIHTSIOPZ-SFHVURJKSA-N 1 0 302.462 3.174 20 10 DGCDRO Cc1nnc(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)s1 ZINC000391840709 1108782152 /nfs/dbraw/zinc/78/21/52/1108782152.db2.gz MJFFFUAWNGVZLU-PWSUYJOCSA-N 1 0 303.431 3.241 20 10 DGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000701734560 1108981006 /nfs/dbraw/zinc/98/10/06/1108981006.db2.gz HGMNDUYZCOYLBF-CYBMUJFWSA-N 1 0 314.223 3.154 20 10 DGCDRO COc1ccc(N(C)CC[N@@H+](C)C[C@H](OC)C2CCCC2)cc1 ZINC001307896394 1111353132 /nfs/dbraw/zinc/35/31/32/1111353132.db2.gz APTYXMASYGCEIP-IBGZPJMESA-N 1 0 320.477 3.268 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1F)c1ccccc1O ZINC001308010535 1111365667 /nfs/dbraw/zinc/36/56/67/1111365667.db2.gz QVWBZTPJYPNPIB-MNOVXSKESA-N 1 0 320.339 3.348 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCCC[C@@H]1C ZINC001308201348 1111396595 /nfs/dbraw/zinc/39/65/95/1111396595.db2.gz CTBCWRJLQQEYJU-LSDHHAIUSA-N 1 0 307.457 3.244 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)cc1F ZINC001308262984 1111407104 /nfs/dbraw/zinc/40/71/04/1111407104.db2.gz YECKOSHWLRDJOC-IBGZPJMESA-N 1 0 314.404 3.295 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Oc1ccccc1 ZINC001308272712 1111408405 /nfs/dbraw/zinc/40/84/05/1111408405.db2.gz HQTUODIGMIBVES-AWEZNQCLSA-N 1 0 302.393 3.449 20 10 DGCDRO CCOc1cccc(C[NH2+]CCCSc2nccs2)n1 ZINC001308282624 1111409786 /nfs/dbraw/zinc/40/97/86/1111409786.db2.gz UKEKMVGLPJPSAR-UHFFFAOYSA-N 1 0 309.460 3.209 20 10 DGCDRO OCC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001308359635 1111421165 /nfs/dbraw/zinc/42/11/65/1111421165.db2.gz HGVOJSIWYYAKOL-SFHVURJKSA-N 1 0 303.446 3.433 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC001308529949 1111438854 /nfs/dbraw/zinc/43/88/54/1111438854.db2.gz JLXZLDICRCSBFS-LJQANCHMSA-N 1 0 316.445 3.160 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H]2CC=CCC2)N(C)C)cc1 ZINC001308543513 1111440727 /nfs/dbraw/zinc/44/07/27/1111440727.db2.gz IFPDGLMRDACFSV-LPHOPBHVSA-N 1 0 301.478 3.301 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c(O)c1 ZINC001308578633 1111447271 /nfs/dbraw/zinc/44/72/71/1111447271.db2.gz QGDBRIHCQLLCHA-MRXNPFEDSA-N 1 0 318.461 3.160 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc3cc(Cl)cnc3o2)c1O ZINC001308742886 1111469148 /nfs/dbraw/zinc/46/91/48/1111469148.db2.gz OVVWHJBTLROWGH-UHFFFAOYSA-N 1 0 318.760 3.485 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]CCc3ccc(F)cc3)C2)cc1 ZINC001308860610 1111485462 /nfs/dbraw/zinc/48/54/62/1111485462.db2.gz SGWFXFUKTCKNPO-KRWDZBQOSA-N 1 0 314.404 3.245 20 10 DGCDRO COC(=O)c1[nH]c2ccccc2c1C[NH2+]Cc1cc(C)ccc1O ZINC001308868360 1111486364 /nfs/dbraw/zinc/48/63/64/1111486364.db2.gz GPQNCNOGMAOPQO-UHFFFAOYSA-N 1 0 324.380 3.258 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c(O)c1 ZINC001308952825 1111499436 /nfs/dbraw/zinc/49/94/36/1111499436.db2.gz TWJWKOIGBIWJDG-MRXNPFEDSA-N 1 0 319.445 3.348 20 10 DGCDRO Cc1ccc(C[NH2+]CC(=O)N2CCCCc3ccccc32)c(O)c1 ZINC001308961288 1111500737 /nfs/dbraw/zinc/50/07/37/1111500737.db2.gz SICHPOXZMHGSTP-UHFFFAOYSA-N 1 0 324.424 3.160 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000083551403 192372811 /nfs/dbraw/zinc/37/28/11/192372811.db2.gz HWMBALSGRARROU-UHFFFAOYSA-N 1 0 305.761 3.107 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000179433415 432058740 /nfs/dbraw/zinc/05/87/40/432058740.db2.gz IXEIWZVULBBZQG-LLVKDONJSA-N 1 0 319.323 3.184 20 10 DGCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180640949 432093596 /nfs/dbraw/zinc/09/35/96/432093596.db2.gz BRSMTQTYQLGGPA-CQSZACIVSA-N 1 0 305.809 3.289 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2(O)CCCCC2)ccc1OC ZINC000171052217 432097518 /nfs/dbraw/zinc/09/75/18/432097518.db2.gz QBIZTYXEHWCCSR-UHFFFAOYSA-N 1 0 307.434 3.017 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1 ZINC000090802145 192935839 /nfs/dbraw/zinc/93/58/39/192935839.db2.gz PMPCZLFWXMCKFL-IEBWSBKVSA-N 1 0 324.472 3.467 20 10 DGCDRO COc1cccc(C[N@H+](C)CCOCc2ccccc2)c1O ZINC000091937067 193128475 /nfs/dbraw/zinc/12/84/75/193128475.db2.gz OJUCOJUGUYIVBE-UHFFFAOYSA-N 1 0 301.386 3.049 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)c(OC)c1OC ZINC000091956646 193131872 /nfs/dbraw/zinc/13/18/72/193131872.db2.gz TZRLMDDARNARRM-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000091958678 193133042 /nfs/dbraw/zinc/13/30/42/193133042.db2.gz QQEDAJIBORUFLU-CABCVRRESA-N 1 0 317.385 3.082 20 10 DGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OC)c2O)C12CCC2 ZINC000092040982 193146748 /nfs/dbraw/zinc/14/67/48/193146748.db2.gz UEIISLANRJOOAC-HZPDHXFCSA-N 1 0 305.418 3.180 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc([S@@](C)=O)cc1 ZINC000296687926 299395653 /nfs/dbraw/zinc/39/56/53/299395653.db2.gz HABPPUIKYWXPSW-ONJZCGHCSA-N 1 0 315.438 3.468 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(OCCOC)CC2)cc1 ZINC000093339708 193234287 /nfs/dbraw/zinc/23/42/87/193234287.db2.gz CHONOBZOYMNVGU-UHFFFAOYSA-N 1 0 320.477 3.160 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000268755260 432129004 /nfs/dbraw/zinc/12/90/04/432129004.db2.gz LJWAEULXUFJHBM-IFXJQAMLSA-N 1 0 314.429 3.145 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)ccc1OC ZINC000268878668 432146509 /nfs/dbraw/zinc/14/65/09/432146509.db2.gz XEGSVAISUDZUFL-INIZCTEOSA-N 1 0 315.417 3.122 20 10 DGCDRO Oc1ccccc1C[N@H+](C[C@H]1CCSC1)C[C@H]1CCCO1 ZINC000278392288 285397576 /nfs/dbraw/zinc/39/75/76/285397576.db2.gz AIXXADAQSIIVRB-GDBMZVCRSA-N 1 0 307.459 3.126 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(O)c1 ZINC000192367556 533446769 /nfs/dbraw/zinc/44/67/69/533446769.db2.gz VJVMUGHMHAUMQL-OAHLLOKOSA-N 1 0 312.413 3.080 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272742556 130059685 /nfs/dbraw/zinc/05/96/85/130059685.db2.gz BFSUCUKWTQXJHO-FUHWJXTLSA-N 1 0 315.505 3.495 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000273383970 130114371 /nfs/dbraw/zinc/11/43/71/130114371.db2.gz IYNAUPNGFKGXTI-BFUOFWGJSA-N 1 0 324.424 3.148 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(F)ccc1O ZINC000273418549 130118475 /nfs/dbraw/zinc/11/84/75/130118475.db2.gz IYWMACVZZCKONG-BBRMVZONSA-N 1 0 303.377 3.176 20 10 DGCDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1O ZINC000273449208 130123812 /nfs/dbraw/zinc/12/38/12/130123812.db2.gz FPOYUTGLGAZJPB-NSHDSACASA-N 1 0 304.321 3.333 20 10 DGCDRO CCn1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)cn1 ZINC000273477734 130125869 /nfs/dbraw/zinc/12/58/69/130125869.db2.gz LCNYURDVYAIAFC-SNVBAGLBSA-N 1 0 324.222 3.222 20 10 DGCDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273564628 130136333 /nfs/dbraw/zinc/13/63/33/130136333.db2.gz JEAJMEPZSARLPV-UWVGGRQHSA-N 1 0 302.212 3.230 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(Br)cc1O ZINC000273522851 130131793 /nfs/dbraw/zinc/13/17/93/130131793.db2.gz UQJAPYAGIBGWEF-SCVCMEIPSA-N 1 0 314.223 3.373 20 10 DGCDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273539489 130133545 /nfs/dbraw/zinc/13/35/45/130133545.db2.gz XYRJDTLQTLFTTE-VIFPVBQESA-N 1 0 310.195 3.037 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1cc(F)ccc1O ZINC000273533270 130133857 /nfs/dbraw/zinc/13/38/57/130133857.db2.gz WUXVQHMWWYFPGO-PSVSLLHZSA-N 1 0 307.340 3.443 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c1 ZINC000273532167 130134274 /nfs/dbraw/zinc/13/42/74/130134274.db2.gz WRCNNJVJHYBCMN-ZIAGYGMSSA-N 1 0 307.434 3.240 20 10 DGCDRO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000273568017 130138629 /nfs/dbraw/zinc/13/86/29/130138629.db2.gz KCELRNIEQZKVJA-SECBINFHSA-N 1 0 310.747 3.190 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c(O)c1 ZINC000273623211 130146289 /nfs/dbraw/zinc/14/62/89/130146289.db2.gz ZTFPZLUJNZDSAA-CQSZACIVSA-N 1 0 304.434 3.142 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c(O)c1 ZINC000273624137 130147021 /nfs/dbraw/zinc/14/70/21/130147021.db2.gz ZXMYCHGFQSLCKK-CQSZACIVSA-N 1 0 324.424 3.444 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000284267091 131064817 /nfs/dbraw/zinc/06/48/17/131064817.db2.gz GRTAHIVDFASVKA-UONOGXRCSA-N 1 0 316.228 3.417 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CCOCC3)CC2)c1O ZINC000284709578 131105774 /nfs/dbraw/zinc/10/57/74/131105774.db2.gz ISMWJJOZUDYGTR-UHFFFAOYSA-N 1 0 321.392 3.127 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC3(CCOCC3)CC2)c1O ZINC000285302151 131156205 /nfs/dbraw/zinc/15/62/05/131156205.db2.gz VZJNZTRAJVPUFE-UHFFFAOYSA-N 1 0 305.418 3.184 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)c1 ZINC000285698351 131194067 /nfs/dbraw/zinc/19/40/67/131194067.db2.gz OQYODNZJMPWKBY-UWVGGRQHSA-N 1 0 308.328 3.486 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1O ZINC000289456719 131387890 /nfs/dbraw/zinc/38/78/90/131387890.db2.gz NWNQKUOESNTGGI-ZDUSSCGKSA-N 1 0 310.397 3.436 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)c1O ZINC000289470507 131389303 /nfs/dbraw/zinc/38/93/03/131389303.db2.gz PMBACMMJKAMXIK-UHFFFAOYSA-N 1 0 323.776 3.058 20 10 DGCDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000090952799 400084285 /nfs/dbraw/zinc/08/42/85/400084285.db2.gz UYIANTVNUQJWTQ-LPHOPBHVSA-N 1 0 320.477 3.115 20 10 DGCDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000093808715 400255666 /nfs/dbraw/zinc/25/56/66/400255666.db2.gz FVUCQXYUUYUYKE-HNNXBMFYSA-N 1 0 324.424 3.147 20 10 DGCDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093482180 400247340 /nfs/dbraw/zinc/24/73/40/400247340.db2.gz HOWHNLDGQNAIKW-LPHOPBHVSA-N 1 0 302.462 3.412 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2(CCO)CCCC2)ccc1OC ZINC000072925729 400414963 /nfs/dbraw/zinc/41/49/63/400414963.db2.gz DJAYLCWSGJMGPB-UHFFFAOYSA-N 1 0 321.461 3.264 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000089726419 401236779 /nfs/dbraw/zinc/23/67/79/401236779.db2.gz AHSXVOSUHKXRFW-UHFFFAOYSA-N 1 0 312.413 3.159 20 10 DGCDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000269344866 432163247 /nfs/dbraw/zinc/16/32/47/432163247.db2.gz HVJZTFNUCVKOJF-UHFFFAOYSA-N 1 0 314.458 3.402 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000130305539 227021227 /nfs/dbraw/zinc/02/12/27/227021227.db2.gz IWKJYHXPTOYBNS-WFASDCNBSA-N 1 0 305.805 3.300 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000133941706 227040776 /nfs/dbraw/zinc/04/07/76/227040776.db2.gz GQLWMSJRJUNRDV-ZDUSSCGKSA-N 1 0 315.244 3.369 20 10 DGCDRO Cc1cc(C(=O)N(C)[C@@H](C)C[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000179201545 228349865 /nfs/dbraw/zinc/34/98/65/228349865.db2.gz GATONUJCYXMNAZ-LBPRGKRZSA-N 1 0 319.836 3.167 20 10 DGCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc3ccccc3c1O)CC2 ZINC000185317713 228390787 /nfs/dbraw/zinc/39/07/87/228390787.db2.gz DGFQQSVSVKMFHR-SWLSCSKDSA-N 1 0 322.412 3.111 20 10 DGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OC)c1O)CCO2 ZINC000274228063 228699402 /nfs/dbraw/zinc/69/94/02/228699402.db2.gz DDYTXKHIIRRFTC-HNNXBMFYSA-N 1 0 315.369 3.023 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186439022 274114553 /nfs/dbraw/zinc/11/45/53/274114553.db2.gz SXEIFDIATZDVOM-LJQANCHMSA-N 1 0 311.381 3.032 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@@H]1CCCO1 ZINC000278955718 277262937 /nfs/dbraw/zinc/26/29/37/277262937.db2.gz ZTNVHKBYKCJZMY-KKXDTOCCSA-N 1 0 315.413 3.390 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccccc1O ZINC000274910469 288050862 /nfs/dbraw/zinc/05/08/62/288050862.db2.gz MYOVOCUHIHXTKC-SFHVURJKSA-N 1 0 322.412 3.273 20 10 DGCDRO COCCCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000112641134 431291665 /nfs/dbraw/zinc/29/16/65/431291665.db2.gz NLIXLXYNYRCAOB-QGZVFWFLSA-N 1 0 307.434 3.190 20 10 DGCDRO CC(C)CCOCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000119515175 431701026 /nfs/dbraw/zinc/70/10/26/431701026.db2.gz WXHDSOVQPJBNKY-QGZVFWFLSA-N 1 0 320.477 3.237 20 10 DGCDRO CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000037644073 431848383 /nfs/dbraw/zinc/84/83/83/431848383.db2.gz XJYGRUUNUPDMPC-SNVBAGLBSA-N 1 0 303.233 3.130 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3cccc(O)c3)CC2)cc1 ZINC000092380804 431908522 /nfs/dbraw/zinc/90/85/22/431908522.db2.gz MRDBMJKGRUFKBK-UHFFFAOYSA-N 1 0 312.413 3.113 20 10 DGCDRO O=C1CCCCN1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093741593 431917894 /nfs/dbraw/zinc/91/78/94/431917894.db2.gz OCASKZSVTYZCKL-UHFFFAOYSA-N 1 0 322.836 3.023 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000090803149 431895589 /nfs/dbraw/zinc/89/55/89/431895589.db2.gz DZCABWOLSWSRAI-SJLPKXTDSA-N 1 0 324.472 3.467 20 10 DGCDRO CC[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000126059528 431940736 /nfs/dbraw/zinc/94/07/36/431940736.db2.gz SAOYEQVDTKLEGC-ROUUACIJSA-N 1 0 311.429 3.020 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H](C)c2nccs2)c1 ZINC000183253838 432273502 /nfs/dbraw/zinc/27/35/02/432273502.db2.gz IQWPHGNFWVDPHS-LBPRGKRZSA-N 1 0 306.431 3.483 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccccc1O ZINC000183316686 432281422 /nfs/dbraw/zinc/28/14/22/432281422.db2.gz NZTQYPITDRMZCS-WMLDXEAASA-N 1 0 312.413 3.138 20 10 DGCDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183431993 432293398 /nfs/dbraw/zinc/29/33/98/432293398.db2.gz LXINAKUJMCFDGN-AWEZNQCLSA-N 1 0 318.461 3.470 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1O ZINC000183432552 432293546 /nfs/dbraw/zinc/29/35/46/432293546.db2.gz DDXLYPKNEYERAD-GUYCJALGSA-N 1 0 302.393 3.485 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1O ZINC000183515742 432300911 /nfs/dbraw/zinc/30/09/11/432300911.db2.gz CAGKSOVQFGEVSO-UKRRQHHQSA-N 1 0 310.397 3.128 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2c(C)nc3sccn32)c1O ZINC000271151476 432338119 /nfs/dbraw/zinc/33/81/19/432338119.db2.gz KTZSQFNBMIPVHS-UHFFFAOYSA-N 1 0 317.414 3.050 20 10 DGCDRO CC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC000152626153 432345770 /nfs/dbraw/zinc/34/57/70/432345770.db2.gz HFCYAKYVMHYFLV-CQSZACIVSA-N 1 0 307.375 3.172 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(O)c1 ZINC000271210118 432354077 /nfs/dbraw/zinc/35/40/77/432354077.db2.gz UEOLBHNXZRYZMN-QFBILLFUSA-N 1 0 319.445 3.308 20 10 DGCDRO CCC[N@H+](Cc1cccc(OC)c1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271214398 432354726 /nfs/dbraw/zinc/35/47/26/432354726.db2.gz WGKBRNBHSLDTCJ-ZTFGCOKTSA-N 1 0 319.445 3.426 20 10 DGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3C)c2)CC1 ZINC000184276743 432374477 /nfs/dbraw/zinc/37/44/77/432374477.db2.gz SGUJRQZEWMPAQT-UHFFFAOYSA-N 1 0 323.440 3.389 20 10 DGCDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000184305469 432378009 /nfs/dbraw/zinc/37/80/09/432378009.db2.gz XEGFMPQYYNKISI-VVBPWWLESA-N 1 0 322.518 3.485 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271411564 432390524 /nfs/dbraw/zinc/39/05/24/432390524.db2.gz AFWCSECCLURPDX-ACJLOTCBSA-N 1 0 302.393 3.276 20 10 DGCDRO CCCCCC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000271248042 432360634 /nfs/dbraw/zinc/36/06/34/432360634.db2.gz CZUHTKVYQXAXLV-UHFFFAOYSA-N 1 0 304.434 3.053 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccccc1O ZINC000192916081 432428295 /nfs/dbraw/zinc/42/82/95/432428295.db2.gz TUFZVDSMJOJPJR-ZBFHGGJFSA-N 1 0 300.402 3.473 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000271990424 432432888 /nfs/dbraw/zinc/43/28/88/432432888.db2.gz RQPACMKTEZLDSJ-OAHLLOKOSA-N 1 0 312.417 3.076 20 10 DGCDRO CC(C)[N@H+](CCCn1ccnc1)Cc1ccc(N(C)C)cc1 ZINC000272026114 432433458 /nfs/dbraw/zinc/43/34/58/432433458.db2.gz VUUHOKOQKFVQKS-UHFFFAOYSA-N 1 0 300.450 3.250 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c1 ZINC000192952696 432434417 /nfs/dbraw/zinc/43/44/17/432434417.db2.gz LBPHKOZSQDCEKT-WMLDXEAASA-N 1 0 306.450 3.172 20 10 DGCDRO CCSCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000271643153 432422692 /nfs/dbraw/zinc/42/26/92/432422692.db2.gz BNPZYSCRSGGXHU-OAHLLOKOSA-N 1 0 308.491 3.317 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CC(C)(C)OC)c1O ZINC000184709369 432423617 /nfs/dbraw/zinc/42/36/17/432423617.db2.gz LIPQOANDHXDPEE-SNVBAGLBSA-N 1 0 301.814 3.347 20 10 DGCDRO Cc1cc(C(=O)NCC2=CC[N@H+](C)CC2)c(C)n1-c1ccccc1 ZINC000271862985 432426770 /nfs/dbraw/zinc/42/67/70/432426770.db2.gz KKJZTBNTBJVUIA-UHFFFAOYSA-N 1 0 323.440 3.086 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC(C)(C)C ZINC000185217994 432479582 /nfs/dbraw/zinc/47/95/82/432479582.db2.gz DJHKBUPALAPOAE-QWHCGFSZSA-N 1 0 318.461 3.225 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000185217977 432479828 /nfs/dbraw/zinc/47/98/28/432479828.db2.gz DJHKBUPALAPOAE-OLZOCXBDSA-N 1 0 318.461 3.225 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCNc2ccccn2)c1 ZINC000185325506 432490806 /nfs/dbraw/zinc/49/08/06/432490806.db2.gz LTVJHIRORBUFGF-CQSZACIVSA-N 1 0 315.417 3.339 20 10 DGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185350759 432494322 /nfs/dbraw/zinc/49/43/22/432494322.db2.gz DDUVKJMWFZIBQT-LBPRGKRZSA-N 1 0 316.357 3.468 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000185468469 432503323 /nfs/dbraw/zinc/50/33/23/432503323.db2.gz RFLODBQJAXSQFW-IUUKEHGRSA-N 1 0 319.376 3.313 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)c1 ZINC000185119769 432469025 /nfs/dbraw/zinc/46/90/25/432469025.db2.gz XBLSJDNAVXCFLR-OLZOCXBDSA-N 1 0 301.386 3.305 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000186034633 432555056 /nfs/dbraw/zinc/55/50/56/432555056.db2.gz OKPUNASCMZQKHG-CXAGYDPISA-N 1 0 301.386 3.439 20 10 DGCDRO C[C@H]([NH2+]CCc1cccs1)c1ccc(N2CCOCC2)cc1 ZINC000155563150 432560599 /nfs/dbraw/zinc/56/05/99/432560599.db2.gz YVZBKWFBBCUIHM-HNNXBMFYSA-N 1 0 316.470 3.478 20 10 DGCDRO Cc1cccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c1O ZINC000185611342 432517033 /nfs/dbraw/zinc/51/70/33/432517033.db2.gz VFCYXUYDMBNNNV-CQSZACIVSA-N 1 0 317.458 3.036 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)c1O ZINC000185677601 432523536 /nfs/dbraw/zinc/52/35/36/432523536.db2.gz IWDBPAWAICCXCR-KBXCAEBGSA-N 1 0 314.429 3.182 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc2c(cc1O)CCCC2 ZINC000185736369 432529319 /nfs/dbraw/zinc/52/93/19/432529319.db2.gz FKMUANFBUDVJFI-GRDNDAEWSA-N 1 0 303.446 3.473 20 10 DGCDRO CCOc1cccc(CN(C)Cc2nccn2C(F)F)c1O ZINC000154991913 432533445 /nfs/dbraw/zinc/53/34/45/432533445.db2.gz NCVKWAYEDGKTPA-UHFFFAOYSA-N 1 0 311.332 3.015 20 10 DGCDRO CCCC[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273607445 432616953 /nfs/dbraw/zinc/61/69/53/432616953.db2.gz URIMHRBFSPLHKX-CYBMUJFWSA-N 1 0 321.421 3.216 20 10 DGCDRO CC[NH+](CC)[C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000264189068 432624381 /nfs/dbraw/zinc/62/43/81/432624381.db2.gz BLCCMGUGFQECPO-SFHVURJKSA-N 1 0 312.413 3.092 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1O ZINC000186789406 432629900 /nfs/dbraw/zinc/62/99/00/432629900.db2.gz GWUJUYTWSHUPNN-ZWKOPEQDSA-N 1 0 314.223 3.109 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000273621462 432618600 /nfs/dbraw/zinc/61/86/00/432618600.db2.gz ZDWWRKJKRFTZKZ-IAQYHMDHSA-N 1 0 314.385 3.230 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cc1OC ZINC000187679503 432677093 /nfs/dbraw/zinc/67/70/93/432677093.db2.gz XEKDZUYPUSPJIM-GDBMZVCRSA-N 1 0 323.433 3.093 20 10 DGCDRO Cn1ccnc1[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000187760554 432684029 /nfs/dbraw/zinc/68/40/29/432684029.db2.gz LPLOIFAUGPGVDV-GOSISDBHSA-N 1 0 310.445 3.261 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1O ZINC000224867775 432684613 /nfs/dbraw/zinc/68/46/13/432684613.db2.gz NTLBPRHERMDDCV-HNNXBMFYSA-N 1 0 320.433 3.094 20 10 DGCDRO COCCC(C)(C)C[NH2+]Cc1cc(Br)ccc1O ZINC000230867933 432730464 /nfs/dbraw/zinc/73/04/64/432730464.db2.gz IUEAIDNBWMUXRW-UHFFFAOYSA-N 1 0 316.239 3.307 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1 ZINC000178409797 432732644 /nfs/dbraw/zinc/73/26/44/432732644.db2.gz ROCGMNXBLFMWRL-LHSJRXKWSA-N 1 0 310.507 3.341 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1O ZINC000276979725 432827570 /nfs/dbraw/zinc/82/75/70/432827570.db2.gz VQEPXGAVOQTMHA-YOEHRIQHSA-N 1 0 316.445 3.367 20 10 DGCDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000268408183 432869193 /nfs/dbraw/zinc/86/91/93/432869193.db2.gz GMIGBLMRJGAGBC-FPTDNZKUSA-N 1 0 317.454 3.306 20 10 DGCDRO O=C1CCCN1c1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296200198 432882457 /nfs/dbraw/zinc/88/24/57/432882457.db2.gz YYJUWCNQDDOLKG-QGZVFWFLSA-N 1 0 322.408 3.296 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)CC2 ZINC000296247262 432888966 /nfs/dbraw/zinc/88/89/66/432888966.db2.gz BCEYGGXIDIWEES-GDBMZVCRSA-N 1 0 321.779 3.495 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)CN(C)Cc2ccccc2)c1O ZINC000288509170 432894301 /nfs/dbraw/zinc/89/43/01/432894301.db2.gz IPVIUEBUXHDAHR-OAHLLOKOSA-N 1 0 314.429 3.011 20 10 DGCDRO CC(C)(C)OC(=O)NCCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296579735 432923223 /nfs/dbraw/zinc/92/32/23/432923223.db2.gz VWNQJHMFTRCAED-CQSZACIVSA-N 1 0 320.433 3.274 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)CC2 ZINC000296883270 432935176 /nfs/dbraw/zinc/93/51/76/432935176.db2.gz OFXLXUWDLKAWPN-ZBFHGGJFSA-N 1 0 321.779 3.495 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296355079 432899762 /nfs/dbraw/zinc/89/97/62/432899762.db2.gz IKVLGHKHPZECKN-LSDHHAIUSA-N 1 0 318.461 3.375 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000278827890 432906326 /nfs/dbraw/zinc/90/63/26/432906326.db2.gz URVDIGVQKCSCFP-CYBMUJFWSA-N 1 0 323.400 3.040 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)[C@H]1CCCO1 ZINC000278955714 432921201 /nfs/dbraw/zinc/92/12/01/432921201.db2.gz ZTNVHKBYKCJZMY-JEBQAFNWSA-N 1 0 315.413 3.390 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)OCCc2sccc21 ZINC000289781554 432974260 /nfs/dbraw/zinc/97/42/60/432974260.db2.gz KLTWPWZAXARQKM-SFHVURJKSA-N 1 0 315.438 3.261 20 10 DGCDRO CC[C@@H]([NH2+]CCc1cn[nH]c1)c1cc(Br)ccc1O ZINC000289978299 432980427 /nfs/dbraw/zinc/98/04/27/432980427.db2.gz XUBFNAOGQSFENF-CYBMUJFWSA-N 1 0 324.222 3.161 20 10 DGCDRO O=C1CCC(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000290069098 432988174 /nfs/dbraw/zinc/98/81/74/432988174.db2.gz PXGJSSHRRJRLPY-SFHVURJKSA-N 1 0 317.429 3.133 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ncnn2-c2ccccc2)c(O)c1C ZINC000279620524 432989010 /nfs/dbraw/zinc/98/90/10/432989010.db2.gz YEMOSZLODHNEEH-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCc3ccc(F)cc31)OCO2 ZINC000279636807 432989281 /nfs/dbraw/zinc/98/92/81/432989281.db2.gz CMINTEVWYLXHBO-HNNXBMFYSA-N 1 0 315.344 3.427 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000279979458 432999019 /nfs/dbraw/zinc/99/90/19/432999019.db2.gz QHRZIGUAIGNQAO-UHFFFAOYSA-N 1 0 316.367 3.165 20 10 DGCDRO CC[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(C)cc1O ZINC000280028728 433000568 /nfs/dbraw/zinc/00/05/68/433000568.db2.gz HYFPYDXDIDBHFQ-WBVHZDCISA-N 1 0 307.434 3.327 20 10 DGCDRO CC[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(C)cc1O ZINC000280028725 433000589 /nfs/dbraw/zinc/00/05/89/433000589.db2.gz HYFPYDXDIDBHFQ-RDJZCZTQSA-N 1 0 307.434 3.327 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(C)cc1O ZINC000280075808 433000990 /nfs/dbraw/zinc/00/09/90/433000990.db2.gz LKXARXHEJIOJJL-DOTOQJQBSA-N 1 0 311.429 3.415 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1ccc(C)cc1O ZINC000280048447 433001362 /nfs/dbraw/zinc/00/13/62/433001362.db2.gz JKUUSQJABUWPSY-MJGOQNOKSA-N 1 0 315.413 3.484 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(C)cc1O ZINC000280062207 433001622 /nfs/dbraw/zinc/00/16/22/433001622.db2.gz KMAJECFWZULCLQ-INMHGKMJSA-N 1 0 318.461 3.388 20 10 DGCDRO CN(C)C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000290201604 433012218 /nfs/dbraw/zinc/01/22/18/433012218.db2.gz USKDMYNQYPTTEN-LJQANCHMSA-N 1 0 315.436 3.284 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H](O)c1ccc(F)cc1 ZINC000297909326 433031083 /nfs/dbraw/zinc/03/10/83/433031083.db2.gz WPBWQKXIZKDYIH-GYOIFBIXSA-N 1 0 301.361 3.230 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H](O)c1ccc(F)cc1 ZINC000297909323 433031874 /nfs/dbraw/zinc/03/18/74/433031874.db2.gz WPBWQKXIZKDYIH-GEWABHDNSA-N 1 0 301.361 3.230 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000280631223 433113644 /nfs/dbraw/zinc/11/36/44/433113644.db2.gz QKGWDFKBAAEHNV-SMDDNHRTSA-N 1 0 316.367 3.022 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000290826764 433181001 /nfs/dbraw/zinc/18/10/01/433181001.db2.gz HERMFQUSRCMAAU-ROUUACIJSA-N 1 0 317.429 3.324 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000374499238 433202854 /nfs/dbraw/zinc/20/28/54/433202854.db2.gz ZHSUYFKNINFFHN-WDYCEAGBSA-N 1 0 318.461 3.131 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c(O)c1 ZINC000290987918 433217194 /nfs/dbraw/zinc/21/71/94/433217194.db2.gz UWARRBNHKQJOGF-KRWDZBQOSA-N 1 0 307.434 3.068 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000290997439 433217633 /nfs/dbraw/zinc/21/76/33/433217633.db2.gz APVCVKMNYHFJHF-DOTOQJQBSA-N 1 0 305.418 3.180 20 10 DGCDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280920543 433225123 /nfs/dbraw/zinc/22/51/23/433225123.db2.gz PPOLWYVQAKEGDH-RYUDHWBXSA-N 1 0 318.383 3.268 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc2ccccc2c1O ZINC000281782749 433378362 /nfs/dbraw/zinc/37/83/62/433378362.db2.gz XGZKXFAEFNFUHI-KGLIPLIRSA-N 1 0 312.413 3.207 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1O ZINC000375268477 433402600 /nfs/dbraw/zinc/40/26/00/433402600.db2.gz UGVHNEZANUDMCC-UHFFFAOYSA-N 1 0 315.417 3.202 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1O ZINC000282928252 433641886 /nfs/dbraw/zinc/64/18/86/433641886.db2.gz HWKCURICFNKDCN-KRWDZBQOSA-N 1 0 315.413 3.231 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1O ZINC000283374791 433713935 /nfs/dbraw/zinc/71/39/35/433713935.db2.gz OHCUTICLQFDTSP-HFTRVMKXSA-N 1 0 319.445 3.001 20 10 DGCDRO CCCOc1ccc(C[N@H+](C)Cc2conc2CC)c(O)c1 ZINC000293548716 433778094 /nfs/dbraw/zinc/77/80/94/433778094.db2.gz DSPDBQWHSMOJJR-UHFFFAOYSA-N 1 0 304.390 3.363 20 10 DGCDRO COCC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCOCC1 ZINC000293785246 433865766 /nfs/dbraw/zinc/86/57/66/433865766.db2.gz UCQANMYRJFEQGT-OAHLLOKOSA-N 1 0 307.434 3.103 20 10 DGCDRO CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293794924 433871064 /nfs/dbraw/zinc/87/10/64/433871064.db2.gz BNIUYUOJBMTVOO-UHFFFAOYSA-N 1 0 300.805 3.147 20 10 DGCDRO CCOc1cccc(C[NH2+]CCCc2cccc(C)n2)c1O ZINC000285424204 433943661 /nfs/dbraw/zinc/94/36/61/433943661.db2.gz DVJCWPPVRUTCEN-UHFFFAOYSA-N 1 0 300.402 3.217 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2nccn2-c2ccccc2)c1 ZINC000377868405 434025511 /nfs/dbraw/zinc/02/55/11/434025511.db2.gz HXQALBKRSHTFMO-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000294559018 434119311 /nfs/dbraw/zinc/11/93/11/434119311.db2.gz BIDAOZOMTVRZDZ-CYBMUJFWSA-N 1 0 317.433 3.164 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000294556249 434119421 /nfs/dbraw/zinc/11/94/21/434119421.db2.gz LQRJQNCMUXPYHS-KRWDZBQOSA-N 1 0 316.470 3.341 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](CC(C)C)CN2CCCC2)c1O ZINC000294666778 434126903 /nfs/dbraw/zinc/12/69/03/434126903.db2.gz AGQLOQZFUOKQRM-INIZCTEOSA-N 1 0 306.450 3.001 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](Cc2ccccc2)OC)c1 ZINC000294715936 434129943 /nfs/dbraw/zinc/12/99/43/434129943.db2.gz FAXYHOVQYQINGA-RHSMWYFYSA-N 1 0 315.413 3.309 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000294852023 434149591 /nfs/dbraw/zinc/14/95/91/434149591.db2.gz ZYWAKCPNJJXDBP-UHFFFAOYSA-N 1 0 312.816 3.149 20 10 DGCDRO COc1cccc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000295008355 434157357 /nfs/dbraw/zinc/15/73/57/434157357.db2.gz JDIAIIDZZISAFJ-HNNXBMFYSA-N 1 0 321.804 3.220 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000322137468 434258906 /nfs/dbraw/zinc/25/89/06/434258906.db2.gz PPESCWAYJZNRCK-HNNXBMFYSA-N 1 0 308.425 3.288 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCc2ccc(Cl)cc21 ZINC000423105511 434222210 /nfs/dbraw/zinc/22/22/10/434222210.db2.gz NQMUEFSVJZCLCY-UHFFFAOYSA-N 1 0 314.816 3.305 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)CCC[NH3+])c(C)n1-c1cccc(C)c1 ZINC000295281213 434288049 /nfs/dbraw/zinc/28/80/49/434288049.db2.gz SVADWEJDGCJBTE-CQSZACIVSA-N 1 0 313.445 3.260 20 10 DGCDRO CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(F)c1 ZINC000295883045 434444548 /nfs/dbraw/zinc/44/45/48/434444548.db2.gz HUWAXRVTNDZLGR-SJORKVTESA-N 1 0 314.404 3.411 20 10 DGCDRO CN(C)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1cccc(F)c1 ZINC000295883025 434445071 /nfs/dbraw/zinc/44/50/71/434445071.db2.gz HUWAXRVTNDZLGR-DLBZAZTESA-N 1 0 314.404 3.411 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCN1CCc3sccc3C1)CC2 ZINC000296110896 434511480 /nfs/dbraw/zinc/51/14/80/434511480.db2.gz USTXZCABRBCOML-HNNXBMFYSA-N 1 0 314.454 3.089 20 10 DGCDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000296161092 434527445 /nfs/dbraw/zinc/52/74/45/434527445.db2.gz XEQDPWJKYRYJGP-IRXDYDNUSA-N 1 0 314.404 3.411 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000367684778 434554925 /nfs/dbraw/zinc/55/49/25/434554925.db2.gz LLVGFASPQICZQO-CVEARBPZSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CSC[C@@H]3C)CC2)cc1 ZINC000367705422 434555288 /nfs/dbraw/zinc/55/52/88/434555288.db2.gz HAHDVBYEUZEGEY-SUMWQHHRSA-N 1 0 306.475 3.005 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)c1 ZINC000367739530 434556694 /nfs/dbraw/zinc/55/66/94/434556694.db2.gz GOFSLCZHQJZZJM-IBGZPJMESA-N 1 0 313.397 3.283 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000368003576 434564414 /nfs/dbraw/zinc/56/44/14/434564414.db2.gz ZEOSIRQUMFVNRF-UHFFFAOYSA-N 1 0 321.808 3.088 20 10 DGCDRO OC[C@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000368270087 434569606 /nfs/dbraw/zinc/56/96/06/434569606.db2.gz RQCRBQXGBITCSH-SFHVURJKSA-N 1 0 317.816 3.182 20 10 DGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000369797166 434600947 /nfs/dbraw/zinc/60/09/47/434600947.db2.gz SJEJXVSNNNOTDJ-QGZVFWFLSA-N 1 0 309.381 3.125 20 10 DGCDRO O=C1OCCC12CC[NH+](Cc1c(O)ccc3ccccc31)CC2 ZINC000370066185 434607996 /nfs/dbraw/zinc/60/79/96/434607996.db2.gz GIVPISGKJMEPKV-UHFFFAOYSA-N 1 0 311.381 3.075 20 10 DGCDRO COc1cccc([C@H](C[NH2+]Cc2ccc3c(c2)CCO3)OC)c1 ZINC000527739698 435013756 /nfs/dbraw/zinc/01/37/56/435013756.db2.gz SPJLKWXKIXLSII-IBGZPJMESA-N 1 0 313.397 3.107 20 10 DGCDRO Cc1cc(C[N@@H+]2CCCC3(CCOCC3)C2)ccc1N(C)C ZINC000292750363 301272814 /nfs/dbraw/zinc/27/28/14/301272814.db2.gz IAQRVOWNYLEGPJ-UHFFFAOYSA-N 1 0 302.462 3.454 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1C ZINC000274326425 533700499 /nfs/dbraw/zinc/70/04/99/533700499.db2.gz YHUKVOZPQMKJGW-VGOFRKELSA-N 1 0 317.454 3.213 20 10 DGCDRO C[C@@H](C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)C1CCCCC1 ZINC000530109162 313321097 /nfs/dbraw/zinc/32/10/97/313321097.db2.gz WTVOKDWRFHKUPO-SCLBCKFNSA-N 1 0 319.445 3.466 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187731353 333236743 /nfs/dbraw/zinc/23/67/43/333236743.db2.gz JWSPEMQYXZNBMM-GXTWGEPZSA-N 1 0 321.367 3.487 20 10 DGCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)NC1CC1)Cc1ccccc1O ZINC000176674183 534101903 /nfs/dbraw/zinc/10/19/03/534101903.db2.gz YUCDNHNCEPAZDV-HNNXBMFYSA-N 1 0 324.424 3.234 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c1 ZINC000370376192 534205870 /nfs/dbraw/zinc/20/58/70/534205870.db2.gz XDDZTXHKNZYWNC-UGSOOPFHSA-N 1 0 312.413 3.238 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161739864 520284507 /nfs/dbraw/zinc/28/45/07/520284507.db2.gz OYUGBDNEKZVABF-OAHLLOKOSA-N 1 0 318.461 3.479 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180020575 521059146 /nfs/dbraw/zinc/05/91/46/521059146.db2.gz MXECQFYRMNKPBQ-KBPBESRZSA-N 1 0 322.424 3.048 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@](C)(O)C2CCCCC2)c1O ZINC000191673596 521364169 /nfs/dbraw/zinc/36/41/69/521364169.db2.gz RAPWUZRPFFQGJT-SFHVURJKSA-N 1 0 307.434 3.212 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccccc2N(C)C)c1O ZINC000267896238 521368241 /nfs/dbraw/zinc/36/82/41/521368241.db2.gz WJONOVPGHDLQJB-UHFFFAOYSA-N 1 0 300.402 3.147 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000267203717 521372800 /nfs/dbraw/zinc/37/28/00/521372800.db2.gz PEKBVCDNJZYAGG-PXAZEXFGSA-N 1 0 319.376 3.142 20 10 DGCDRO CCSc1cc(C[NH2+]Cc2cc(OC)ccc2O)ccn1 ZINC000190196192 521734155 /nfs/dbraw/zinc/73/41/55/521734155.db2.gz YWMITSGJMALBCM-UHFFFAOYSA-N 1 0 304.415 3.198 20 10 DGCDRO CC[C@@H](C[NH2+][C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000227714360 522553492 /nfs/dbraw/zinc/55/34/92/522553492.db2.gz UASVTRCFLORHNC-OLZOCXBDSA-N 1 0 308.422 3.346 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2ccc(F)cc2)cc1OC ZINC000159924788 522770260 /nfs/dbraw/zinc/77/02/60/522770260.db2.gz AMIWZRLPIBEJNC-UHFFFAOYSA-N 1 0 319.376 3.223 20 10 DGCDRO CC[C@H](O)CC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000119246851 522805342 /nfs/dbraw/zinc/80/53/42/522805342.db2.gz AMYGWNCQHJWMFY-AAEUAGOBSA-N 1 0 316.239 3.356 20 10 DGCDRO COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183618598 522871918 /nfs/dbraw/zinc/87/19/18/522871918.db2.gz UDHDQOBUOSEPKT-ZDUSSCGKSA-N 1 0 317.385 3.139 20 10 DGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000160855940 524395863 /nfs/dbraw/zinc/39/58/63/524395863.db2.gz QAGNDZOVTKEBET-UHFFFAOYSA-N 1 0 300.402 3.057 20 10 DGCDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccccc3O)C2=O)cc1 ZINC000189092545 524467563 /nfs/dbraw/zinc/46/75/63/524467563.db2.gz SLRHPKGNINZSNN-CRAIPNDOSA-N 1 0 324.424 3.152 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccccc2F)c1 ZINC000182458725 524763214 /nfs/dbraw/zinc/76/32/14/524763214.db2.gz XBRNLMFEFUUOIG-GFCCVEGCSA-N 1 0 305.349 3.270 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c1 ZINC000182410917 524765912 /nfs/dbraw/zinc/76/59/12/524765912.db2.gz DEPSENVSCAPIHJ-CYBMUJFWSA-N 1 0 311.385 3.208 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000185829016 524774965 /nfs/dbraw/zinc/77/49/65/524774965.db2.gz FPMUVUNVJDYFCD-SUMWQHHRSA-N 1 0 307.434 3.383 20 10 DGCDRO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3O)C2=O)cc1 ZINC000179875688 524971211 /nfs/dbraw/zinc/97/12/11/524971211.db2.gz UMNDPUDODBTSCB-WMLDXEAASA-N 1 0 310.397 3.157 20 10 DGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccccc1O ZINC000179873160 525460420 /nfs/dbraw/zinc/46/04/20/525460420.db2.gz VGXHELGWPYDNBC-NSHDSACASA-N 1 0 302.330 3.160 20 10 DGCDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265738616 525815831 /nfs/dbraw/zinc/81/58/31/525815831.db2.gz DFSQVMVKXALOTF-ACJLOTCBSA-N 1 0 317.454 3.261 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccccc3F)CC1)OCO2 ZINC000130538329 526337071 /nfs/dbraw/zinc/33/70/71/526337071.db2.gz AXSGMYWOSXAYBL-UHFFFAOYSA-N 1 0 301.317 3.039 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000264935450 526365408 /nfs/dbraw/zinc/36/54/08/526365408.db2.gz CPIVSDQAEGMTKJ-UHFFFAOYSA-N 1 0 317.820 3.331 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000374499236 527869281 /nfs/dbraw/zinc/86/92/81/527869281.db2.gz ZHSUYFKNINFFHN-KVSKMBFKSA-N 1 0 318.461 3.131 20 10 DGCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177975411 528035012 /nfs/dbraw/zinc/03/50/12/528035012.db2.gz ZTNCISLYCLBCNU-INIZCTEOSA-N 1 0 317.477 3.023 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1O ZINC000282928260 528653800 /nfs/dbraw/zinc/65/38/00/528653800.db2.gz HWKCURICFNKDCN-QGZVFWFLSA-N 1 0 315.413 3.231 20 10 DGCDRO CCOCCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000165114812 528655667 /nfs/dbraw/zinc/65/56/67/528655667.db2.gz BMYRCZFABOLUFF-UHFFFAOYSA-N 1 0 306.450 3.070 20 10 DGCDRO CC1([C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)OCCO1 ZINC000273224391 535205439 /nfs/dbraw/zinc/20/54/39/535205439.db2.gz VVGYBDUOSXHRNZ-LBPRGKRZSA-N 1 0 311.809 3.021 20 10 DGCDRO CC[C@H]([NH2+]CCC(C)(C)O)c1cc(Br)ccc1O ZINC000274792011 535898802 /nfs/dbraw/zinc/89/88/02/535898802.db2.gz OHXKZSZJGRQZGI-LBPRGKRZSA-N 1 0 316.239 3.356 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC000273596479 536896568 /nfs/dbraw/zinc/89/65/68/536896568.db2.gz QWXVJDMCNWVVLW-JTQLQIEISA-N 1 0 320.320 3.299 20 10 DGCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(OC)c1O)CC2 ZINC000289481586 536992430 /nfs/dbraw/zinc/99/24/30/536992430.db2.gz QOLYAUBGMNCEDF-MRXNPFEDSA-N 1 0 313.397 3.057 20 10 DGCDRO CCOc1cccc(C[NH2+]CC(C)(C)c2ccccn2)c1O ZINC000294736361 546423714 /nfs/dbraw/zinc/42/37/14/546423714.db2.gz GSQQVKKJMIGMFM-UHFFFAOYSA-N 1 0 300.402 3.253 20 10 DGCDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000731843844 574560282 /nfs/dbraw/zinc/56/02/82/574560282.db2.gz YVBWQPVYNJWWJL-ZBFHGGJFSA-N 1 0 304.434 3.004 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)CC1CCOCC1 ZINC000732983431 574590130 /nfs/dbraw/zinc/59/01/30/574590130.db2.gz WKERABFRSJKWCN-UHFFFAOYSA-N 1 0 301.386 3.414 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000733325755 574616006 /nfs/dbraw/zinc/61/60/06/574616006.db2.gz WKEYJADDHMOFEU-QGZVFWFLSA-N 1 0 312.413 3.010 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000734508803 574665345 /nfs/dbraw/zinc/66/53/45/574665345.db2.gz JBSMEKKRHZBBKM-AWEZNQCLSA-N 1 0 308.441 3.434 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(C3OCCO3)CC2)cc1C(C)C ZINC000738138215 574859644 /nfs/dbraw/zinc/85/96/44/574859644.db2.gz KVVQONZESLZJSF-UHFFFAOYSA-N 1 0 319.445 3.409 20 10 DGCDRO COC1C[NH+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000738226398 574861731 /nfs/dbraw/zinc/86/17/31/574861731.db2.gz UCJKYPBZQOXHSD-UHFFFAOYSA-N 1 0 322.202 3.139 20 10 DGCDRO COC(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742380170 574994018 /nfs/dbraw/zinc/99/40/18/574994018.db2.gz JDPBWEJCCCCVCJ-UHFFFAOYSA-N 1 0 321.421 3.100 20 10 DGCDRO COc1ccc(C2([NH2+]Cc3ccccc3O)CCOCC2)cc1 ZINC000742373335 574993434 /nfs/dbraw/zinc/99/34/34/574993434.db2.gz VFQZXXHURAFMTB-UHFFFAOYSA-N 1 0 313.397 3.196 20 10 DGCDRO CC(C)OC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000743841131 575064594 /nfs/dbraw/zinc/06/45/94/575064594.db2.gz FWASFJYEPLCRLD-UHFFFAOYSA-N 1 0 306.450 3.305 20 10 DGCDRO O=C(NCCCCCCC[NH+]1CCCC1)C1=CC(=O)CS1 ZINC000746884542 575482294 /nfs/dbraw/zinc/48/22/94/575482294.db2.gz JKHGLHHZZHVWRY-UHFFFAOYSA-N 1 0 310.463 3.230 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](COC)Cc2ccccc2)c1 ZINC000747100911 575496282 /nfs/dbraw/zinc/49/62/82/575496282.db2.gz XZYONIWUVCOOTQ-KRWDZBQOSA-N 1 0 315.413 3.138 20 10 DGCDRO C[C@H](Cc1ccncc1)[NH2+]Cc1cc(Br)ccc1O ZINC000749293678 575642646 /nfs/dbraw/zinc/64/26/46/575642646.db2.gz CSEOLGZKGCWINN-LLVKDONJSA-N 1 0 321.218 3.271 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)Cc2ccncc2)ccc1OC ZINC000749296075 575643204 /nfs/dbraw/zinc/64/32/04/575643204.db2.gz NPEMGLYQQLQTQT-OAHLLOKOSA-N 1 0 314.429 3.348 20 10 DGCDRO CCOCc1cc(C[NH2+]C2CCC(C)(O)CC2)ccc1OC ZINC000749296606 575643220 /nfs/dbraw/zinc/64/32/20/575643220.db2.gz QWVDZCFWNIPBJW-UHFFFAOYSA-N 1 0 307.434 3.015 20 10 DGCDRO CC1(O)CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000749295779 575643599 /nfs/dbraw/zinc/64/35/99/575643599.db2.gz HRYYSHPYDDEWLG-UHFFFAOYSA-N 1 0 302.462 3.460 20 10 DGCDRO C[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[NH+](C)C ZINC000750016822 575697555 /nfs/dbraw/zinc/69/75/55/575697555.db2.gz CGNCHXMNSPGWHF-HNNXBMFYSA-N 1 0 317.477 3.022 20 10 DGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000750826907 575753871 /nfs/dbraw/zinc/75/38/71/575753871.db2.gz UBWXMYMEQWXKHN-HZPDHXFCSA-N 1 0 323.408 3.369 20 10 DGCDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000751605002 575793083 /nfs/dbraw/zinc/79/30/83/575793083.db2.gz NTJJEGMGRFCIRP-BBRMVZONSA-N 1 0 311.381 3.499 20 10 DGCDRO CCC[N@H+](CC(=O)NC1CCC(C)CC1)Cc1ccccc1O ZINC000727831067 576148482 /nfs/dbraw/zinc/14/84/82/576148482.db2.gz GKDREZHUANVYNO-UHFFFAOYSA-N 1 0 318.461 3.299 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)Cc2ccccc2)C2CC2)cc1 ZINC000917014218 620652526 /nfs/dbraw/zinc/65/25/26/620652526.db2.gz OVFJFYMCZIEPER-NRFANRHFSA-N 1 0 324.468 3.321 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCSCC3)c2c1 ZINC000917461954 620669524 /nfs/dbraw/zinc/66/95/24/620669524.db2.gz FZPJUNSONCHPBX-UHFFFAOYSA-N 1 0 303.427 3.493 20 10 DGCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000154453939 620677186 /nfs/dbraw/zinc/67/71/86/620677186.db2.gz SPRRNHZMQGUPAL-GOSISDBHSA-N 1 0 302.462 3.412 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)c(O)c1 ZINC001659345862 1196373599 /nfs/dbraw/zinc/37/35/99/1196373599.db2.gz NQAWMNDOCRZJPB-UHFFFAOYSA-N 1 0 316.367 3.159 20 10 DGCDRO CN(C)c1ccc([C@H](CNC(=O)CCC2(C)CC2)[NH+](C)C)cc1 ZINC000891257839 617761199 /nfs/dbraw/zinc/76/11/99/617761199.db2.gz KPWAGDJHXVSPIY-KRWDZBQOSA-N 1 0 317.477 3.052 20 10 DGCDRO COc1ccc(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(O)c1OC ZINC000891786672 617898640 /nfs/dbraw/zinc/89/86/40/617898640.db2.gz QFSITMXQGSQGMN-KKNUOHPOSA-N 1 0 317.429 3.420 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891853212 617911996 /nfs/dbraw/zinc/91/19/96/617911996.db2.gz FINDXPBEQZXSAE-CVEARBPZSA-N 1 0 323.408 3.238 20 10 DGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2O)C1(C)C ZINC000892102049 617962008 /nfs/dbraw/zinc/96/20/08/617962008.db2.gz REYOSEVFFMAJKU-GJZGRUSLSA-N 1 0 323.433 3.045 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000919806705 620766961 /nfs/dbraw/zinc/76/69/61/620766961.db2.gz CTRKIQHWOVADSO-UHFFFAOYSA-N 1 0 318.461 3.449 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccccc1O ZINC000840867791 618035978 /nfs/dbraw/zinc/03/59/78/618035978.db2.gz WMALQZQONCOMSV-OAHLLOKOSA-N 1 0 319.426 3.037 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cccc(Cl)c2)c(O)c1OC ZINC000892413489 618059903 /nfs/dbraw/zinc/05/99/03/618059903.db2.gz QRWIAFDSTIHIRC-UHFFFAOYSA-N 1 0 321.804 3.395 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCCc3occc32)c(O)c1OC ZINC000892552188 618106917 /nfs/dbraw/zinc/10/69/17/618106917.db2.gz SODSAHSEFYWACA-CYBMUJFWSA-N 1 0 303.358 3.170 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2C)c(O)c1OC ZINC000892623116 618120574 /nfs/dbraw/zinc/12/05/74/618120574.db2.gz WEELPCGVZPSPBS-AWEZNQCLSA-N 1 0 315.413 3.439 20 10 DGCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(C)cc(C)c2O)cc1 ZINC000111996266 620778868 /nfs/dbraw/zinc/77/88/68/620778868.db2.gz GSPAQCJQCHSQFJ-UHFFFAOYSA-N 1 0 312.413 3.001 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c(O)c1OC ZINC000892680656 618136267 /nfs/dbraw/zinc/13/62/67/618136267.db2.gz QXDSRLYCBRCZFD-OAHLLOKOSA-N 1 0 317.360 3.326 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccc(C)cc2C)c(O)c1OC ZINC000892720114 618147129 /nfs/dbraw/zinc/14/71/29/618147129.db2.gz KHPUNTVEFNYVJT-UHFFFAOYSA-N 1 0 315.413 3.359 20 10 DGCDRO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000920258069 620793177 /nfs/dbraw/zinc/79/31/77/620793177.db2.gz GLCBVKLWUHFVEL-SZMVWBNQSA-N 1 0 316.445 3.059 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1nccn1C ZINC000840894450 618337406 /nfs/dbraw/zinc/33/74/06/618337406.db2.gz RNZAYKYOJDFWHE-HUUCEWRRSA-N 1 0 300.450 3.076 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCc2ccc(F)c(F)c2)c1O ZINC000894534054 618374188 /nfs/dbraw/zinc/37/41/88/618374188.db2.gz XBRWUWSOHRVVIT-UHFFFAOYSA-N 1 0 307.340 3.320 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CSc3ccccc32)c(O)c1OC ZINC000892992833 618381887 /nfs/dbraw/zinc/38/18/87/618381887.db2.gz ZNMFTSHMAGWVSY-ZDUSSCGKSA-N 1 0 317.410 3.346 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CSc3ccccc32)c(O)c1OC ZINC000892992831 618381973 /nfs/dbraw/zinc/38/19/73/618381973.db2.gz ZNMFTSHMAGWVSY-CYBMUJFWSA-N 1 0 317.410 3.346 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1OC ZINC000893255514 618487730 /nfs/dbraw/zinc/48/77/30/618487730.db2.gz JUDJLKODIVGYAJ-DZGCQCFKSA-N 1 0 323.433 3.093 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2cccs2)c(Cl)c1 ZINC000840901057 618496036 /nfs/dbraw/zinc/49/60/36/618496036.db2.gz XOBBURLUSNMTGD-OAHLLOKOSA-N 1 0 311.834 3.413 20 10 DGCDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893291569 618498903 /nfs/dbraw/zinc/49/89/03/618498903.db2.gz NNVVYHPJQLDYNK-GFCCVEGCSA-N 1 0 316.401 3.218 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c(O)c1OC ZINC000893493577 618572700 /nfs/dbraw/zinc/57/27/00/618572700.db2.gz CZNIKXSKKSAOGS-UGSOOPFHSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1cccc(OC)c1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895248790 618582099 /nfs/dbraw/zinc/58/20/99/618582099.db2.gz SLXUIPOBHNONQN-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO Cc1coc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000893910570 618675005 /nfs/dbraw/zinc/67/50/05/618675005.db2.gz LWUMPXDOADPPNI-UHFFFAOYSA-N 1 0 300.402 3.057 20 10 DGCDRO COc1cc(C)cc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000893986117 618690124 /nfs/dbraw/zinc/69/01/24/618690124.db2.gz JWNBDAAVSMMBEZ-QGZVFWFLSA-N 1 0 318.461 3.160 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000894047338 618699200 /nfs/dbraw/zinc/69/92/00/618699200.db2.gz SVNRDXMEXGNEJN-LTFXXXRZSA-N 1 0 300.446 3.175 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@H](C3CC3)C3CCOCC3)ccc21 ZINC000924872578 618714863 /nfs/dbraw/zinc/71/48/63/618714863.db2.gz RRPYCVJDELVMGM-HXUWFJFHSA-N 1 0 314.473 3.364 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C3(Cl)CC3)CC2)cc1 ZINC000924907745 618735321 /nfs/dbraw/zinc/73/53/21/618735321.db2.gz SDIYIHJOADVLPK-ZDUSSCGKSA-N 1 0 308.853 3.414 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)c1O ZINC000894241072 618736998 /nfs/dbraw/zinc/73/69/98/618736998.db2.gz GHQSRADARZVBBU-ZDUSSCGKSA-N 1 0 301.386 3.136 20 10 DGCDRO Cc1cc(CC[NH2+]Cc2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000015595171 618737945 /nfs/dbraw/zinc/73/79/45/618737945.db2.gz VZAJAVSFBIRDFT-UHFFFAOYSA-N 1 0 308.429 3.160 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCc2sc(C)nc2C)c1O ZINC000894252522 618740100 /nfs/dbraw/zinc/74/01/00/618740100.db2.gz HTMMGNVKVJNTCR-UHFFFAOYSA-N 1 0 306.431 3.115 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCCc2ccc(O)cc2)c1O ZINC000894259555 618743654 /nfs/dbraw/zinc/74/36/54/618743654.db2.gz WSIRYAZDHUDWHJ-UHFFFAOYSA-N 1 0 301.386 3.137 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2ccccc2Cl)c1O ZINC000894289152 618753059 /nfs/dbraw/zinc/75/30/59/618753059.db2.gz IODBHTXLRAHZEI-HNNXBMFYSA-N 1 0 321.804 3.186 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c1O ZINC000895378093 618776118 /nfs/dbraw/zinc/77/61/18/618776118.db2.gz POSNUTVGNQAXFG-NSHDSACASA-N 1 0 304.217 3.383 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000895457284 618787119 /nfs/dbraw/zinc/78/71/19/618787119.db2.gz DRIITSXZDUJENV-UHFFFAOYSA-N 1 0 316.357 3.216 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCN1c1cc[nH+]cc1 ZINC000895558289 618799154 /nfs/dbraw/zinc/79/91/54/618799154.db2.gz VDDJBKHPDIVMLA-ZDUSSCGKSA-N 1 0 317.820 3.151 20 10 DGCDRO CN(C)c1cc(F)c(CN2CCC(C)([NH+]3CCC3)CC2)cc1F ZINC000895670800 618815920 /nfs/dbraw/zinc/81/59/20/618815920.db2.gz FXLHFECMPWBPTH-UHFFFAOYSA-N 1 0 323.431 3.091 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785632 618830480 /nfs/dbraw/zinc/83/04/80/618830480.db2.gz YIFKMGZAVMMGKO-IMFGXOCKSA-N 1 0 309.409 3.262 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000896194588 618885419 /nfs/dbraw/zinc/88/54/19/618885419.db2.gz DSGGUTLCRUMCOM-UHFFFAOYSA-N 1 0 301.365 3.003 20 10 DGCDRO CO[C@]12CCC[C@@]1([NH2+]C/C=C\c1ccc(N(C)C)cc1)CCO2 ZINC000896411443 618908992 /nfs/dbraw/zinc/90/89/92/618908992.db2.gz AASWOMNJEKSAMK-FHLMBLHRSA-N 1 0 316.445 3.041 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c1O ZINC000896532310 618925510 /nfs/dbraw/zinc/92/55/10/618925510.db2.gz UJVOWDXVWDQHLP-CYBMUJFWSA-N 1 0 318.442 3.312 20 10 DGCDRO COc1cccc(C[N@@H+](Cc2ccccn2)CC(C)C)c1O ZINC000896666049 618943603 /nfs/dbraw/zinc/94/36/03/618943603.db2.gz WIAUJJZGOMTVQY-UHFFFAOYSA-N 1 0 300.402 3.454 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1O ZINC000896825424 618965789 /nfs/dbraw/zinc/96/57/89/618965789.db2.gz RYRBRBLXUQVIBR-ZDUSSCGKSA-N 1 0 313.397 3.322 20 10 DGCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cccc(C)c3O)C2)n1 ZINC000897043000 619007464 /nfs/dbraw/zinc/00/74/64/619007464.db2.gz JCANXNSVYNZCAV-JSGCOSHPSA-N 1 0 301.390 3.072 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cc(C3CC3)n(C)n2)cc1Cl ZINC000897230027 619033057 /nfs/dbraw/zinc/03/30/57/619033057.db2.gz CDLQQDURBIGJLM-UHFFFAOYSA-N 1 0 305.809 3.255 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c(O)c1 ZINC000897268150 619039622 /nfs/dbraw/zinc/03/96/22/619039622.db2.gz UUDUQVLDBUBWGO-MRXNPFEDSA-N 1 0 319.445 3.430 20 10 DGCDRO Cc1cccc(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)c1O ZINC000897320156 619056163 /nfs/dbraw/zinc/05/61/63/619056163.db2.gz MNKHTTPYOQJTOF-UHFFFAOYSA-N 1 0 321.380 3.350 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c1O ZINC000897356905 619080185 /nfs/dbraw/zinc/08/01/85/619080185.db2.gz GKSMQFCOUMTPTR-PUZFROQSSA-N 1 0 311.425 3.137 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897463675 619130687 /nfs/dbraw/zinc/13/06/87/619130687.db2.gz BDNAPUBIIKYIEG-GFCCVEGCSA-N 1 0 316.357 3.202 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1O ZINC000841747458 619136791 /nfs/dbraw/zinc/13/67/91/619136791.db2.gz RATUTTALHGDXLG-MWLCHTKSSA-N 1 0 322.758 3.333 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2(C3(O)CCC3)CC2)ccc1OC ZINC000897531017 619150236 /nfs/dbraw/zinc/15/02/36/619150236.db2.gz VQTUKTYALZIVSR-UHFFFAOYSA-N 1 0 319.445 3.017 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752807 619153603 /nfs/dbraw/zinc/15/36/03/619153603.db2.gz CDCBEWZKTVXNPV-VXGBXAGGSA-N 1 0 312.841 3.249 20 10 DGCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000897579180 619162300 /nfs/dbraw/zinc/16/23/00/619162300.db2.gz QHDYMVPVZBFDEV-LBPRGKRZSA-N 1 0 321.808 3.192 20 10 DGCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000897579179 619162321 /nfs/dbraw/zinc/16/23/21/619162321.db2.gz QHDYMVPVZBFDEV-GFCCVEGCSA-N 1 0 321.808 3.192 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615775 619167429 /nfs/dbraw/zinc/16/74/29/619167429.db2.gz FAENBQMGMPTQHS-LBPRGKRZSA-N 1 0 323.318 3.191 20 10 DGCDRO C[C@@H]1CC2(CC([NH2+]C/C=C/c3ccc(N(C)C)cc3)C2)CO1 ZINC000897775164 619179210 /nfs/dbraw/zinc/17/92/10/619179210.db2.gz BKERTLPDSJLMLG-BBLACGAVSA-N 1 0 300.446 3.313 20 10 DGCDRO CCOCc1cc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)ccc1OC ZINC000897780376 619181717 /nfs/dbraw/zinc/18/17/17/619181717.db2.gz GEECNFGMAYGCIB-STJZUHDESA-N 1 0 319.445 3.279 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCSC(C)(C)C2)c(O)c1OC ZINC000897790735 619182897 /nfs/dbraw/zinc/18/28/97/619182897.db2.gz ZIMRXGYJYLQLSD-GFCCVEGCSA-N 1 0 311.447 3.173 20 10 DGCDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1ccc3c(c1)CCCO3)CCO2 ZINC000897973007 619196471 /nfs/dbraw/zinc/19/64/71/619196471.db2.gz MDUYPGYRAYTSPH-MOPGFXCFSA-N 1 0 317.429 3.177 20 10 DGCDRO CCOc1cccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)c1O ZINC000897973012 619196547 /nfs/dbraw/zinc/19/65/47/619196547.db2.gz MLKFGRFXOYFLQU-UHFFFAOYSA-N 1 0 305.418 3.228 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@H]2CCC(F)(F)C2)cc1OC ZINC000898017734 619206064 /nfs/dbraw/zinc/20/60/64/619206064.db2.gz RNRHIJNXIAHRDB-LLVKDONJSA-N 1 0 315.360 3.325 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CC(Cc3ccoc3)C2)c1O ZINC000898160485 619219020 /nfs/dbraw/zinc/21/90/20/619219020.db2.gz HDQABFZXCGVSHJ-UHFFFAOYSA-N 1 0 307.777 3.322 20 10 DGCDRO CN(C)c1ccc(/C=C/CNCC2([NH3+])CCCCCC2)cc1 ZINC000841041750 619243020 /nfs/dbraw/zinc/24/30/20/619243020.db2.gz ADCIGGQTCNAZMV-BQYQJAHWSA-N 1 0 301.478 3.407 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2c(F)cccc2Cl)cc1 ZINC000841041489 619243054 /nfs/dbraw/zinc/24/30/54/619243054.db2.gz CNNSARKQKCIWJR-KRWDZBQOSA-N 1 0 321.827 3.335 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2sccc2Cl)cc1 ZINC000841045193 619247365 /nfs/dbraw/zinc/24/73/65/619247365.db2.gz JGTMHQAIIJMCQN-CQSZACIVSA-N 1 0 309.866 3.257 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccccc1O ZINC000926925728 619250026 /nfs/dbraw/zinc/25/00/26/619250026.db2.gz KVIFPLPBEMQZKD-RYUDHWBXSA-N 1 0 302.340 3.070 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1O ZINC000927066563 619261445 /nfs/dbraw/zinc/26/14/45/619261445.db2.gz MLDZBMNBLFCMST-RVSPLBMKSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c1O ZINC000927066562 619261723 /nfs/dbraw/zinc/26/17/23/619261723.db2.gz MLDZBMNBLFCMST-QEORTHHSSA-N 1 0 305.418 3.257 20 10 DGCDRO CCOCCOCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000927085467 619263840 /nfs/dbraw/zinc/26/38/40/619263840.db2.gz IJYUCVYOPMBIKW-LBPRGKRZSA-N 1 0 301.814 3.058 20 10 DGCDRO O[C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000898393729 619270643 /nfs/dbraw/zinc/27/06/43/619270643.db2.gz WJHXUWXTBXZSOJ-SFTDATJTSA-N 1 0 322.452 3.425 20 10 DGCDRO COC(=O)C1(CCCC[NH2+]Cc2cccc(OC)c2O)CCC1 ZINC000898413257 619271949 /nfs/dbraw/zinc/27/19/49/619271949.db2.gz RHMJZGSZKWDOCM-UHFFFAOYSA-N 1 0 321.417 3.004 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCSCC2)N(C)C)cc1 ZINC000898448166 619275684 /nfs/dbraw/zinc/27/56/84/619275684.db2.gz QFIOAWGJDOUHMF-FUHWJXTLSA-N 1 0 321.534 3.231 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000898452498 619276758 /nfs/dbraw/zinc/27/67/58/619276758.db2.gz YZGCQBOGJSXJBI-SFHVURJKSA-N 1 0 301.434 3.047 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901053842 619469790 /nfs/dbraw/zinc/46/97/90/619469790.db2.gz SOZJXUBMOCUUMN-DLBZAZTESA-N 1 0 316.445 3.148 20 10 DGCDRO CC[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(C(F)(F)F)cc1O ZINC000902468996 619641905 /nfs/dbraw/zinc/64/19/05/619641905.db2.gz NJAWUNYXBFZARU-SCUASFONSA-N 1 0 314.351 3.345 20 10 DGCDRO Cc1cc(CC[NH2+][C@@H](C)c2cn(C)nn2)c(C)n1-c1ccccc1 ZINC000902731196 619667205 /nfs/dbraw/zinc/66/72/05/619667205.db2.gz WHZXPVAEMFAKPI-HNNXBMFYSA-N 1 0 323.444 3.116 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3C[C@@H]4CCC[C@H]4C3)cc2)CC1 ZINC000903056922 619707446 /nfs/dbraw/zinc/70/74/46/619707446.db2.gz VJUCKWLXOIFPPB-IRXDYDNUSA-N 1 0 314.473 3.316 20 10 DGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1nncn1C ZINC000903064507 619708973 /nfs/dbraw/zinc/70/89/73/619708973.db2.gz MZOLXSZXTZRGEO-HZMBPMFUSA-N 1 0 308.813 3.222 20 10 DGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000903128584 619722936 /nfs/dbraw/zinc/72/29/36/619722936.db2.gz CUCKCOQJGIPFMI-DCQANWLSSA-N 1 0 307.365 3.011 20 10 DGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)c1ccccc1O ZINC000903165997 619728594 /nfs/dbraw/zinc/72/85/94/619728594.db2.gz ZSOSDSDRQKNHDP-NSHDSACASA-N 1 0 313.323 3.267 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)ccc1O ZINC000903179554 619730978 /nfs/dbraw/zinc/73/09/78/619730978.db2.gz QHACUBDEGYBBHV-GMOODISLSA-N 1 0 307.287 3.292 20 10 DGCDRO CCN(C(=O)C[NH2+][C@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000903197276 619734340 /nfs/dbraw/zinc/73/43/40/619734340.db2.gz MNSLDRJJLNMCGQ-CYBMUJFWSA-N 1 0 316.376 3.235 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cnn(CC3CCC3)c2)c1O ZINC000903240078 619742656 /nfs/dbraw/zinc/74/26/56/619742656.db2.gz OBVDZEHZSHNWLV-ZDUSSCGKSA-N 1 0 315.417 3.248 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000903323378 619756006 /nfs/dbraw/zinc/75/60/06/619756006.db2.gz LPVLHZUPVKRZFV-HOCLYGCPSA-N 1 0 305.441 3.171 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccc(F)c2)c(O)c1 ZINC000903310773 619757418 /nfs/dbraw/zinc/75/74/18/619757418.db2.gz QQEPNFJKKGSGND-UGSOOPFHSA-N 1 0 303.377 3.398 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(F)c2)c1O ZINC000903310293 619757431 /nfs/dbraw/zinc/75/74/31/619757431.db2.gz PQMODSVJHOHDFS-KZULUSFZSA-N 1 0 319.376 3.098 20 10 DGCDRO C[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1cc(F)ccc1O ZINC000903312278 619757915 /nfs/dbraw/zinc/75/79/15/619757915.db2.gz YKLMHLYYWIXEKK-GTNSWQLSSA-N 1 0 307.340 3.229 20 10 DGCDRO CO[C@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCSC1 ZINC000903314186 619758386 /nfs/dbraw/zinc/75/83/86/619758386.db2.gz IJSSBCIRRKEVEN-HZMBPMFUSA-N 1 0 301.839 3.218 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)c1O ZINC000903366499 619765935 /nfs/dbraw/zinc/76/59/35/619765935.db2.gz AKCZPAQRIBBGMD-IIYDPXPESA-N 1 0 303.402 3.011 20 10 DGCDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1=O ZINC000903389779 619770813 /nfs/dbraw/zinc/77/08/13/619770813.db2.gz XFUPDQGOGNNIQX-BXUZGUMPSA-N 1 0 310.825 3.016 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CCO)cc2)c2c1c(F)ccc2O ZINC000903404257 619770833 /nfs/dbraw/zinc/77/08/33/619770833.db2.gz YZPGHRWSWOTEPB-WBMJQRKESA-N 1 0 315.388 3.404 20 10 DGCDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1=O ZINC000903389780 619770894 /nfs/dbraw/zinc/77/08/94/619770894.db2.gz XFUPDQGOGNNIQX-FZMZJTMJSA-N 1 0 310.825 3.016 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(CCO)cc2)c2c1c(F)ccc2O ZINC000903404254 619771013 /nfs/dbraw/zinc/77/10/13/619771013.db2.gz YZPGHRWSWOTEPB-LRDDRELGSA-N 1 0 315.388 3.404 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000903423531 619776541 /nfs/dbraw/zinc/77/65/41/619776541.db2.gz WAKQIVJRRIGZSI-UKRRQHHQSA-N 1 0 314.351 3.008 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccoc1 ZINC000903447809 619778208 /nfs/dbraw/zinc/77/82/08/619778208.db2.gz CUSWTTZTYJQYQK-RDTXWAMCSA-N 1 0 301.434 3.299 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1(Cl)CC1 ZINC000903449004 619778557 /nfs/dbraw/zinc/77/85/57/619778557.db2.gz VEJFYRUTGYKNGB-XJKSGUPXSA-N 1 0 309.885 3.105 20 10 DGCDRO [NH3+][C@@H](CC(F)F)CN1CCCc2cc(OC(F)F)ccc21 ZINC000903906336 619832374 /nfs/dbraw/zinc/83/23/74/619832374.db2.gz VPBYCCVWXZMONA-JTQLQIEISA-N 1 0 306.303 3.023 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Cl)c1 ZINC000903983067 619847938 /nfs/dbraw/zinc/84/79/38/619847938.db2.gz BFFQXZFXJBAXAU-PWSUYJOCSA-N 1 0 322.758 3.066 20 10 DGCDRO CCc1ccccc1NC(=S)NCc1cc(N(C)C)cc[nH+]1 ZINC000905618034 620013187 /nfs/dbraw/zinc/01/31/87/620013187.db2.gz KIZZKDMPTWZJIA-UHFFFAOYSA-N 1 0 314.458 3.197 20 10 DGCDRO CC1CCC(C)(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000911665445 620339714 /nfs/dbraw/zinc/33/97/14/620339714.db2.gz CIGPKFRKCXSHLB-LTCLLZNKSA-N 1 0 317.477 3.085 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000151285592 620436663 /nfs/dbraw/zinc/43/66/63/620436663.db2.gz AKUCWBVYLFEDFB-SFHVURJKSA-N 1 0 305.418 3.008 20 10 DGCDRO Cc1cc(C(=O)NC(C)(C)C[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000151851383 620476985 /nfs/dbraw/zinc/47/69/85/620476985.db2.gz FFRKHUOFWRFXOD-UHFFFAOYSA-N 1 0 319.836 3.215 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000925417014 620546196 /nfs/dbraw/zinc/54/61/96/620546196.db2.gz YYDQAYWXBWVXQX-UHFFFAOYSA-N 1 0 306.450 3.001 20 10 DGCDRO CCC[N@H+](CC(=O)NCC1CCCCC1)Cc1ccccc1O ZINC000110737198 620635039 /nfs/dbraw/zinc/63/50/39/620635039.db2.gz PQQNHLOLUVSUCA-UHFFFAOYSA-N 1 0 318.461 3.301 20 10 DGCDRO c1cc2c(cc1C[NH2+]Cc1ccc3c(c1)OCCO3)CCCO2 ZINC000921483928 620861064 /nfs/dbraw/zinc/86/10/64/620861064.db2.gz ZPIFCUVBSOGISC-UHFFFAOYSA-N 1 0 311.381 3.073 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)cc1C ZINC000788074093 620892879 /nfs/dbraw/zinc/89/28/79/620892879.db2.gz CBAHZNRHGBKTSO-MRXNPFEDSA-N 1 0 301.434 3.267 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000113321195 620904347 /nfs/dbraw/zinc/90/43/47/620904347.db2.gz ARONTFPPPCCHRM-LJQANCHMSA-N 1 0 310.441 3.455 20 10 DGCDRO C[C@H](COCC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921611065 620914027 /nfs/dbraw/zinc/91/40/27/620914027.db2.gz DPKIVLBERCORCZ-LLVKDONJSA-N 1 0 303.324 3.069 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)ccc21 ZINC000921625298 620917778 /nfs/dbraw/zinc/91/77/78/620917778.db2.gz KIPMWMYCYBQSMA-NZSAHSFTSA-N 1 0 314.473 3.364 20 10 DGCDRO CC(=O)Nc1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921680706 620932375 /nfs/dbraw/zinc/93/23/75/620932375.db2.gz OANJWAVLDBBIDL-UHFFFAOYSA-N 1 0 324.424 3.302 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccsc1 ZINC000921770283 620947064 /nfs/dbraw/zinc/94/70/64/620947064.db2.gz LHTNHSCQOXZCTD-KRWDZBQOSA-N 1 0 303.427 3.070 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)c1cccs1 ZINC000921768892 620947270 /nfs/dbraw/zinc/94/72/70/620947270.db2.gz MIPUIYVWGJRLSF-KRWDZBQOSA-N 1 0 303.427 3.070 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H]1SC ZINC000922211330 621005746 /nfs/dbraw/zinc/00/57/46/621005746.db2.gz CVRQUIMLMNWKJP-OIISXLGYSA-N 1 0 307.459 3.010 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(CC3CCC3)c2)c1 ZINC000922217718 621007692 /nfs/dbraw/zinc/00/76/92/621007692.db2.gz WHGQHIZLDPSUOX-ZDUSSCGKSA-N 1 0 315.417 3.248 20 10 DGCDRO c1cc2c(cc1C[NH2+]CCCO[C@H]1CCCCO1)CCCO2 ZINC000922233129 621010136 /nfs/dbraw/zinc/01/01/36/621010136.db2.gz UQIUDDTXVUPLNK-SFHVURJKSA-N 1 0 305.418 3.035 20 10 DGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1cc(C)ccc1O ZINC000922428574 621037026 /nfs/dbraw/zinc/03/70/26/621037026.db2.gz IETUFLATWGKGHQ-UHFFFAOYSA-N 1 0 313.323 3.014 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1C ZINC000922457301 621040028 /nfs/dbraw/zinc/04/00/28/621040028.db2.gz IQCYUHFWCNJUJQ-OCCSQVGLSA-N 1 0 303.324 3.209 20 10 DGCDRO CN1C[C@@H](CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000922488863 621045533 /nfs/dbraw/zinc/04/55/33/621045533.db2.gz LTZPNOCTLUXXTQ-HNNXBMFYSA-N 1 0 324.424 3.017 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000857060661 621053036 /nfs/dbraw/zinc/05/30/36/621053036.db2.gz CZMVEYTVGOSXPS-UKRRQHHQSA-N 1 0 321.461 3.149 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1O)c1cccc(F)c1 ZINC000922564945 621058205 /nfs/dbraw/zinc/05/82/05/621058205.db2.gz XDJNYPJLXJQJGD-MRXNPFEDSA-N 1 0 309.768 3.182 20 10 DGCDRO CC[N@H+](CCC[C@@H](C)O)Cc1cc(Br)ccc1O ZINC000789328589 625461171 /nfs/dbraw/zinc/46/11/71/625461171.db2.gz YAMRSLGYBWGAOD-LLVKDONJSA-N 1 0 316.239 3.138 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCc1nc2c(s1)CCC2 ZINC000922714027 621088365 /nfs/dbraw/zinc/08/83/65/621088365.db2.gz CMZVIHDXUVZRGL-UHFFFAOYSA-N 1 0 308.834 3.323 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCC3CC=CC3)cc2)CC1 ZINC000922734951 621092929 /nfs/dbraw/zinc/09/29/29/621092929.db2.gz MKLFVSQWJPBCPY-UHFFFAOYSA-N 1 0 300.446 3.094 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCS1 ZINC000922838893 621107816 /nfs/dbraw/zinc/10/78/16/621107816.db2.gz OXWADVUMCINHRV-GDBMZVCRSA-N 1 0 320.502 3.021 20 10 DGCDRO CC1([NH+]2CCC2)CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000922847211 621108078 /nfs/dbraw/zinc/10/80/78/621108078.db2.gz WVZVRZFFJJRMHR-UHFFFAOYSA-N 1 0 310.388 3.167 20 10 DGCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3c(O)cccc3Cl)C2)n1 ZINC000922864197 621110813 /nfs/dbraw/zinc/11/08/13/621110813.db2.gz CADVDUHBGZBVIE-WDEREUQCSA-N 1 0 321.808 3.417 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1OC ZINC000115629305 621119129 /nfs/dbraw/zinc/11/91/29/621119129.db2.gz PKOWWWLPYCMHBH-UHFFFAOYSA-N 1 0 314.429 3.368 20 10 DGCDRO CC[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(C)cc1O ZINC000857876935 621126921 /nfs/dbraw/zinc/12/69/21/621126921.db2.gz ISINWAFVICWKEJ-HKUYNNGSSA-N 1 0 324.424 3.455 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1F ZINC000922896823 621128096 /nfs/dbraw/zinc/12/80/96/621128096.db2.gz PJAKIIGJTPBXGE-UGSOOPFHSA-N 1 0 324.415 3.326 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c1O ZINC000922951136 621136416 /nfs/dbraw/zinc/13/64/16/621136416.db2.gz JTFJYJMBDGIHCI-CQSZACIVSA-N 1 0 307.434 3.474 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1O ZINC000858015328 621145211 /nfs/dbraw/zinc/14/52/11/621145211.db2.gz YYAADZJHHCXPGN-QGZVFWFLSA-N 1 0 312.413 3.311 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)cc1C ZINC000923010575 621146032 /nfs/dbraw/zinc/14/60/32/621146032.db2.gz WAWHRHKQNMQMNI-PUZFROQSSA-N 1 0 311.425 3.191 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858087799 621151095 /nfs/dbraw/zinc/15/10/95/621151095.db2.gz LAVWVEZTCXIDGP-UHFFFAOYSA-N 1 0 306.356 3.329 20 10 DGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858127767 621155624 /nfs/dbraw/zinc/15/56/24/621155624.db2.gz PQYNGBUXIRYSIR-LBPRGKRZSA-N 1 0 320.383 3.457 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@](C)(O)c2ccccc2)cc1F ZINC000858137517 621156748 /nfs/dbraw/zinc/15/67/48/621156748.db2.gz SMRPDLMKMFBUCG-GOSISDBHSA-N 1 0 320.383 3.028 20 10 DGCDRO CCC(C)(C)OCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858175835 621161531 /nfs/dbraw/zinc/16/15/31/621161531.db2.gz XVMJNFPIZXZKHJ-UHFFFAOYSA-N 1 0 300.393 3.326 20 10 DGCDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858184616 621162509 /nfs/dbraw/zinc/16/25/09/621162509.db2.gz NJFDZCIVKOMGNK-ZWNOBZJWSA-N 1 0 316.239 3.041 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000858244131 621167598 /nfs/dbraw/zinc/16/75/98/621167598.db2.gz ACXLBXDTXNRLCL-GOSISDBHSA-N 1 0 303.494 3.354 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@]2(CO)CCCC(C)(C)C2)c1 ZINC000858250126 621168209 /nfs/dbraw/zinc/16/82/09/621168209.db2.gz ACFHLLCVBRUHPM-GOSISDBHSA-N 1 0 307.434 3.212 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000858280718 621171515 /nfs/dbraw/zinc/17/15/15/621171515.db2.gz BEESWWFSPARIPS-LJQANCHMSA-N 1 0 323.440 3.186 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]CC1(C(F)(F)F)CCCC1)OCO2 ZINC000858307984 621173769 /nfs/dbraw/zinc/17/37/69/621173769.db2.gz PFPUOPRZZIJTTL-UHFFFAOYSA-N 1 0 317.307 3.333 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccccc1O ZINC000858448591 621192465 /nfs/dbraw/zinc/19/24/65/621192465.db2.gz DHKOVOAPOFVJKR-JSGCOSHPSA-N 1 0 313.323 3.433 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(F)ccc1O ZINC000858453921 621193222 /nfs/dbraw/zinc/19/32/22/621193222.db2.gz QLVSJOZJAKYGHZ-WBMJQRKESA-N 1 0 301.361 3.323 20 10 DGCDRO CC(=O)N(C)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000858496589 621198063 /nfs/dbraw/zinc/19/80/63/621198063.db2.gz ABLKGOKKRQKMEL-KRWDZBQOSA-N 1 0 310.397 3.152 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000858505896 621199690 /nfs/dbraw/zinc/19/96/90/621199690.db2.gz CDLUQKAJSZPTGV-UKRRQHHQSA-N 1 0 303.402 3.312 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000858509897 621200660 /nfs/dbraw/zinc/20/06/60/621200660.db2.gz TYANLBHEJPPQJU-HIFRSBDPSA-N 1 0 303.402 3.312 20 10 DGCDRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000858547090 621203777 /nfs/dbraw/zinc/20/37/77/621203777.db2.gz ISCXTLLYBCPSOG-JOKNJTHLSA-N 1 0 301.430 3.489 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN(C)CC(F)F)c1O ZINC000858596945 621208479 /nfs/dbraw/zinc/20/84/79/621208479.db2.gz RFWDFELNJCWBCJ-SNVBAGLBSA-N 1 0 306.784 3.202 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@H]1SC ZINC000838918636 621297967 /nfs/dbraw/zinc/29/79/67/621297967.db2.gz UAMPLBXTFFWAAM-CGTJXYLNSA-N 1 0 320.502 3.068 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)c1O ZINC000859616886 621299174 /nfs/dbraw/zinc/29/91/74/621299174.db2.gz SQSYPZAZPNGQJK-GOSISDBHSA-N 1 0 323.408 3.155 20 10 DGCDRO Cc1cc(C[NH2+]C(C)(C)CN(C)C)ccc1N1CCCCC1 ZINC000839094572 621327963 /nfs/dbraw/zinc/32/79/63/621327963.db2.gz GSXPCIOJFRELOG-UHFFFAOYSA-N 1 0 303.494 3.415 20 10 DGCDRO CC1(C)CC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000839144636 621332227 /nfs/dbraw/zinc/33/22/27/621332227.db2.gz ISUQFLXHBJBIJD-CQSZACIVSA-N 1 0 324.415 3.470 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc(F)c1N1CCOCC1 ZINC000839145193 621332488 /nfs/dbraw/zinc/33/24/88/621332488.db2.gz NJYXGUGIVUTJOS-YOEHRIQHSA-N 1 0 322.399 3.080 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CCC1 ZINC000839145510 621332518 /nfs/dbraw/zinc/33/25/18/621332518.db2.gz PSIINPCZPULVAV-KRWDZBQOSA-N 1 0 324.415 3.470 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C(C)C ZINC000839146703 621332888 /nfs/dbraw/zinc/33/28/88/621332888.db2.gz RLAQYMDEBBHYSI-MRXNPFEDSA-N 1 0 312.404 3.326 20 10 DGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000839146314 621332952 /nfs/dbraw/zinc/33/29/52/621332952.db2.gz CIEYUINARLTKTA-GXTWGEPZSA-N 1 0 310.388 3.080 20 10 DGCDRO Cc1cccc(CC2C[NH+](Cc3cc4c(cc3O)OCO4)C2)c1 ZINC000839131751 621338745 /nfs/dbraw/zinc/33/87/45/621338745.db2.gz MYBLXFGMQKYCSF-UHFFFAOYSA-N 1 0 311.381 3.104 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CC(C2CCCC2)C1 ZINC000839142720 621341019 /nfs/dbraw/zinc/34/10/19/621341019.db2.gz KTFLDCQBKSCPTN-UHFFFAOYSA-N 1 0 300.446 3.145 20 10 DGCDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccsc2)c1O ZINC000839187655 621345731 /nfs/dbraw/zinc/34/57/31/621345731.db2.gz ZDAGWPYRXWBACM-UHFFFAOYSA-N 1 0 320.458 3.026 20 10 DGCDRO COc1cccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)c1O ZINC000839191413 621346805 /nfs/dbraw/zinc/34/68/05/621346805.db2.gz JLEULXPCJTYJDT-GJZGRUSLSA-N 1 0 307.434 3.473 20 10 DGCDRO CC1CC[NH+](C2CCC(NC(=O)C3=CC(=O)CS3)CC2)CC1 ZINC000752650831 621403287 /nfs/dbraw/zinc/40/32/87/621403287.db2.gz SABMRXVCMULKBC-UHFFFAOYSA-N 1 0 322.474 3.227 20 10 DGCDRO COc1ccc2c(c1)CCN2Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000753527721 621446068 /nfs/dbraw/zinc/44/60/68/621446068.db2.gz SHFCGBJKUGNXEP-UHFFFAOYSA-N 1 0 320.396 3.147 20 10 DGCDRO C[N@H+](Cc1cn[nH]c1)Cc1ccc(OCc2ccccc2)cc1O ZINC000753547292 621447768 /nfs/dbraw/zinc/44/77/68/621447768.db2.gz NCJKTAMROODHKQ-UHFFFAOYSA-N 1 0 323.396 3.326 20 10 DGCDRO COc1cccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)c1O ZINC000753585464 621451762 /nfs/dbraw/zinc/45/17/62/621451762.db2.gz HPTNFLXRDVKTHV-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000753762622 621463597 /nfs/dbraw/zinc/46/35/97/621463597.db2.gz JNNDYRCMXINBJT-OXJNMPFZSA-N 1 0 312.457 3.397 20 10 DGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C1(C)C ZINC000754740981 621530210 /nfs/dbraw/zinc/53/02/10/621530210.db2.gz KDUIFSRJUWFRKM-CVEARBPZSA-N 1 0 307.434 3.345 20 10 DGCDRO C[C@@H]1CSCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862244773 621566410 /nfs/dbraw/zinc/56/64/10/621566410.db2.gz FTOZWQBULGBNBO-SECBINFHSA-N 1 0 302.237 3.092 20 10 DGCDRO C[C@H]1CSCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862344257 621576489 /nfs/dbraw/zinc/57/64/89/621576489.db2.gz OAXNCOJTTYWBCH-SNVBAGLBSA-N 1 0 316.264 3.340 20 10 DGCDRO CCOC1CC([N@H+](C)Cc2c(O)cccc2Br)C1 ZINC000862369684 621580527 /nfs/dbraw/zinc/58/05/27/621580527.db2.gz WPPIWDHEJHRXKE-UHFFFAOYSA-N 1 0 314.223 3.154 20 10 DGCDRO Cc1nc(C)c(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000862395267 621583920 /nfs/dbraw/zinc/58/39/20/621583920.db2.gz YPAYPGFWTHUNNE-CYBMUJFWSA-N 1 0 301.434 3.387 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C3CC(F)(F)C3)C2)cc1 ZINC000862408060 621586149 /nfs/dbraw/zinc/58/61/49/621586149.db2.gz SHXOEFGKGFQUSJ-JSGCOSHPSA-N 1 0 310.388 3.297 20 10 DGCDRO CCc1noc(C2CCC([NH2+]Cc3cc(C)ccc3O)CC2)n1 ZINC000862476097 621593436 /nfs/dbraw/zinc/59/34/36/621593436.db2.gz HZCKRZYWZSOCPS-UHFFFAOYSA-N 1 0 315.417 3.462 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC000862507600 621596480 /nfs/dbraw/zinc/59/64/80/621596480.db2.gz INBWENLJHLVAQP-UHFFFAOYSA-N 1 0 309.413 3.180 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000862529349 621596819 /nfs/dbraw/zinc/59/68/19/621596819.db2.gz SIQKQKHABQPEFD-PKOBYXMFSA-N 1 0 302.462 3.127 20 10 DGCDRO CCC(O)(CC)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000862539541 621598405 /nfs/dbraw/zinc/59/84/05/621598405.db2.gz OPDHDKKEMCQDRL-UHFFFAOYSA-N 1 0 316.239 3.138 20 10 DGCDRO CCc1cccc(C[NH2+]C2(c3cc(C)no3)CCOCC2)c1O ZINC000862542634 621599503 /nfs/dbraw/zinc/59/95/03/621599503.db2.gz WAOBPZXNTCPRTC-UHFFFAOYSA-N 1 0 316.401 3.047 20 10 DGCDRO CC[N@H+](C)[C@@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862759087 621614219 /nfs/dbraw/zinc/61/42/19/621614219.db2.gz VGJLPWHIWOAKOV-GOSISDBHSA-N 1 0 312.413 3.010 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000756131583 621617001 /nfs/dbraw/zinc/61/70/01/621617001.db2.gz JVANWZFUOWPOGJ-UHFFFAOYSA-N 1 0 304.434 3.108 20 10 DGCDRO CCOc1ccc(C[NH2+]C2(CC(=O)OC)CCCCC2)c(O)c1 ZINC000756133001 621617664 /nfs/dbraw/zinc/61/76/64/621617664.db2.gz VBFQEIQMBCLTPO-UHFFFAOYSA-N 1 0 321.417 3.147 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1cc(F)ccc1O ZINC000756342774 621629263 /nfs/dbraw/zinc/62/92/63/621629263.db2.gz LDMAQFXVIHADTD-RHSMWYFYSA-N 1 0 316.420 3.355 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)c2c1c(F)ccc2O ZINC000756357023 621630543 /nfs/dbraw/zinc/63/05/43/621630543.db2.gz BIRAWZJSNNWHJM-IPYPFGDCSA-N 1 0 323.408 3.255 20 10 DGCDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756356367 621630571 /nfs/dbraw/zinc/63/05/71/621630571.db2.gz AKJRDKCWBPVHNR-WMLDXEAASA-N 1 0 302.462 3.406 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)c2c1c(F)ccc2O ZINC000756355693 621630626 /nfs/dbraw/zinc/63/06/26/621630626.db2.gz VKYNRNFUCVPQQD-DJSGYFEHSA-N 1 0 301.361 3.403 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2)c2c1c(F)ccc2O ZINC000756355695 621630683 /nfs/dbraw/zinc/63/06/83/621630683.db2.gz VKYNRNFUCVPQQD-WPGHFRTFSA-N 1 0 301.361 3.403 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]C2CCN(C3CC3)CC2)c2c1c(F)ccc2O ZINC000756368890 621631819 /nfs/dbraw/zinc/63/18/19/621631819.db2.gz RJZKQXXINGVUTA-XHDPSFHLSA-N 1 0 304.409 3.296 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000119240276 621632966 /nfs/dbraw/zinc/63/29/66/621632966.db2.gz NUOSLGJDEUJCDL-DOTOQJQBSA-N 1 0 318.461 3.131 20 10 DGCDRO CCC[C@@H](O)C[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000119240008 621633083 /nfs/dbraw/zinc/63/30/83/621633083.db2.gz YVZMIYVSGYAZCR-DGCLKSJQSA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c(O)c1C ZINC000756394834 621635118 /nfs/dbraw/zinc/63/51/18/621635118.db2.gz AHWUKSWOGAUOEI-HZPDHXFCSA-N 1 0 315.413 3.100 20 10 DGCDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000756395261 621635236 /nfs/dbraw/zinc/63/52/36/621635236.db2.gz IKNVOTPYGWITBM-NSHDSACASA-N 1 0 318.804 3.256 20 10 DGCDRO Cc1n[nH]cc1CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756398433 621635515 /nfs/dbraw/zinc/63/55/15/621635515.db2.gz GADXJZYNODZKHP-QMTHXVAHSA-N 1 0 303.381 3.334 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)ccn1 ZINC000756402770 621635595 /nfs/dbraw/zinc/63/55/95/621635595.db2.gz YKGBQBNQSJKSHG-ZWNOBZJWSA-N 1 0 302.349 3.273 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)c2c1c(F)ccc2O ZINC000756416485 621636916 /nfs/dbraw/zinc/63/69/16/621636916.db2.gz HRKAMLTZRSXBIQ-FZMZJTMJSA-N 1 0 321.392 3.355 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CO)c2c1c(F)ccc2O ZINC000756459512 621640101 /nfs/dbraw/zinc/64/01/01/621640101.db2.gz ORKDJHMXMWKENR-XHDPSFHLSA-N 1 0 301.361 3.362 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1O ZINC000756503965 621643054 /nfs/dbraw/zinc/64/30/54/621643054.db2.gz RHWZAYAHJMMYFG-ONGXEEELSA-N 1 0 322.758 3.333 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCCc2cnn(C)c2)c2c1c(F)ccc2O ZINC000756525459 621644880 /nfs/dbraw/zinc/64/48/80/621644880.db2.gz BTVFLBCGJDALPP-RISCZKNCSA-N 1 0 303.381 3.036 20 10 DGCDRO CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756529956 621645322 /nfs/dbraw/zinc/64/53/22/621645322.db2.gz WJCBPTDOBUUQCT-ZJUUUORDSA-N 1 0 302.212 3.230 20 10 DGCDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756529950 621645454 /nfs/dbraw/zinc/64/54/54/621645454.db2.gz WJCBPTDOBUUQCT-UWVGGRQHSA-N 1 0 302.212 3.230 20 10 DGCDRO C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(F)ccc1O ZINC000756539932 621646572 /nfs/dbraw/zinc/64/65/72/621646572.db2.gz XINQUSWTVUSQHF-SECBINFHSA-N 1 0 317.286 3.141 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756547677 621647067 /nfs/dbraw/zinc/64/70/67/621647067.db2.gz GFLUYATTWWXVJS-IVMMDQJWSA-N 1 0 315.388 3.273 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756547679 621647317 /nfs/dbraw/zinc/64/73/17/621647317.db2.gz GFLUYATTWWXVJS-XNRPHZJLSA-N 1 0 315.388 3.273 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Br)ccc1O ZINC000756576457 621650554 /nfs/dbraw/zinc/65/05/54/621650554.db2.gz UNZIDDPFJJFTJZ-YGRLFVJLSA-N 1 0 314.223 3.232 20 10 DGCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756586720 621651308 /nfs/dbraw/zinc/65/13/08/621651308.db2.gz TXTYRWOYOQLUEI-ZUZCIYMTSA-N 1 0 301.365 3.358 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3nc(C)ncc32)c1 ZINC000756585974 621651320 /nfs/dbraw/zinc/65/13/20/621651320.db2.gz OJQHYSQHIVQALT-BZNIZROVSA-N 1 0 313.401 3.227 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c2c1c(F)ccc2O ZINC000756606986 621652027 /nfs/dbraw/zinc/65/20/27/621652027.db2.gz LPTYKOQGTVYNRC-CMPLNLGQSA-N 1 0 309.381 3.401 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOCC2CCOCC2)c(O)c1C ZINC000756602803 621652282 /nfs/dbraw/zinc/65/22/82/621652282.db2.gz FODNKNYDLMABIX-MRXNPFEDSA-N 1 0 321.461 3.493 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000756607143 621652749 /nfs/dbraw/zinc/65/27/49/621652749.db2.gz ZJDNFGTUBQUOTL-IPYPFGDCSA-N 1 0 323.408 3.112 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)c1 ZINC000756630999 621654142 /nfs/dbraw/zinc/65/41/42/621654142.db2.gz WXEAXIDVFMCZQC-LBPRGKRZSA-N 1 0 311.385 3.436 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(N(C)C)CCSC2)c2c1c(F)ccc2O ZINC000756638601 621655105 /nfs/dbraw/zinc/65/51/05/621655105.db2.gz UWZGVILSYBXIRJ-ZUCKAHLUSA-N 1 0 324.465 3.107 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756656087 621656770 /nfs/dbraw/zinc/65/67/70/621656770.db2.gz SXLRIMVJIVJYFE-ZBFHGGJFSA-N 1 0 316.445 3.142 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Cl)ccc1O ZINC000756661341 621657086 /nfs/dbraw/zinc/65/70/86/621657086.db2.gz RANFJMOBFADVSO-VXGBXAGGSA-N 1 0 309.793 3.140 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756710078 621659468 /nfs/dbraw/zinc/65/94/68/621659468.db2.gz ABGHMLAIBZTLQW-NHYWBVRUSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O ZINC000756709054 621659591 /nfs/dbraw/zinc/65/95/91/621659591.db2.gz VLXYFEKDGLFQGN-LLVKDONJSA-N 1 0 320.320 3.169 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c1 ZINC000756738081 621661710 /nfs/dbraw/zinc/66/17/10/621661710.db2.gz JCUCDIWWJHVAPU-ZBEGNZNMSA-N 1 0 307.340 3.363 20 10 DGCDRO COc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000863306674 621661866 /nfs/dbraw/zinc/66/18/66/621661866.db2.gz OFWDUSYZVFLKFX-DLBZAZTESA-N 1 0 319.445 3.452 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCOc2ncccc2F)c2c1c(F)ccc2O ZINC000756761896 621662651 /nfs/dbraw/zinc/66/26/51/621662651.db2.gz RQZOUXDYTWPEIJ-ZWNOBZJWSA-N 1 0 320.339 3.282 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000756765478 621663408 /nfs/dbraw/zinc/66/34/08/621663408.db2.gz OSTFVSLNOACGPW-HUUCEWRRSA-N 1 0 305.418 3.079 20 10 DGCDRO CC(C)[C@H](O)C1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756792207 621664799 /nfs/dbraw/zinc/66/47/99/621664799.db2.gz ZWWGUFCLFNUFQF-ZUCKAHLUSA-N 1 0 307.409 3.466 20 10 DGCDRO C[C@@H]([NH2+]CCOC1CCC1)c1cc(Br)ccc1O ZINC000756838064 621666998 /nfs/dbraw/zinc/66/69/98/621666998.db2.gz LAFAHZVYZWSWHN-SNVBAGLBSA-N 1 0 314.223 3.374 20 10 DGCDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000756913781 621672867 /nfs/dbraw/zinc/67/28/67/621672867.db2.gz RDXMMBUSZSUALE-UHFFFAOYSA-N 1 0 324.380 3.347 20 10 DGCDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000863543649 621682264 /nfs/dbraw/zinc/68/22/64/621682264.db2.gz UGWMNGGRNZCEER-ZYSHUDEJSA-N 1 0 301.478 3.468 20 10 DGCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cs1 ZINC000839538789 621693120 /nfs/dbraw/zinc/69/31/20/621693120.db2.gz GOAQIBGYDXTILS-SNVBAGLBSA-N 1 0 321.398 3.100 20 10 DGCDRO [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646015 621693437 /nfs/dbraw/zinc/69/34/37/621693437.db2.gz FTUBLRIYCZKJLP-CMPLNLGQSA-N 1 0 322.758 3.005 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757659430 621731901 /nfs/dbraw/zinc/73/19/01/621731901.db2.gz XUINIBASHUJOIU-UONOGXRCSA-N 1 0 321.421 3.216 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)cc1F ZINC000864053897 621732758 /nfs/dbraw/zinc/73/27/58/621732758.db2.gz PTHMSXBLYRVNKV-CYBMUJFWSA-N 1 0 312.404 3.014 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000757798981 621740336 /nfs/dbraw/zinc/74/03/36/621740336.db2.gz GLTZAKFPLVTACX-QAPCUYQASA-N 1 0 305.418 3.215 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(O)c1 ZINC000757864681 621743946 /nfs/dbraw/zinc/74/39/46/621743946.db2.gz BTCHDWOVSPWHEI-RDJZCZTQSA-N 1 0 307.434 3.020 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000757865457 621744024 /nfs/dbraw/zinc/74/40/24/621744024.db2.gz GPKIGEWQFRMYRT-RDJZCZTQSA-N 1 0 307.434 3.020 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000757873987 621744368 /nfs/dbraw/zinc/74/43/68/621744368.db2.gz FOGZMFUAINYPMQ-UHFFFAOYSA-N 1 0 312.413 3.251 20 10 DGCDRO C[N@H+](Cc1ccccn1)Cc1cc(Br)ccc1O ZINC000757888905 621745446 /nfs/dbraw/zinc/74/54/46/621745446.db2.gz AKZFWTZYFJUCEE-UHFFFAOYSA-N 1 0 307.191 3.182 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000758602587 621791216 /nfs/dbraw/zinc/79/12/16/621791216.db2.gz MSZIOPLQRVVVFR-PMACEKPBSA-N 1 0 309.457 3.288 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000758602591 621791444 /nfs/dbraw/zinc/79/14/44/621791444.db2.gz MSZIOPLQRVVVFR-WOJBJXKFSA-N 1 0 309.457 3.288 20 10 DGCDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000789592362 625531563 /nfs/dbraw/zinc/53/15/63/625531563.db2.gz CHJBTWCBGVSAFG-SFHVURJKSA-N 1 0 308.441 3.265 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nn(C)c3ccccc23)c1 ZINC000760899492 621972848 /nfs/dbraw/zinc/97/28/48/621972848.db2.gz YTCFPJAJWINGSS-LBPRGKRZSA-N 1 0 311.385 3.138 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000865735791 621986055 /nfs/dbraw/zinc/98/60/55/621986055.db2.gz XXYKBSFYXDBGEE-ROUUACIJSA-N 1 0 305.418 3.228 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CCC(OC(C)C)CC2)c1O ZINC000761191897 621993169 /nfs/dbraw/zinc/99/31/69/621993169.db2.gz FAXWTYZZZFAYQJ-UHFFFAOYSA-N 1 0 313.825 3.444 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000761195875 621993172 /nfs/dbraw/zinc/99/31/72/621993172.db2.gz QIKCJRNHEDFSJU-AOOOYVTPSA-N 1 0 301.839 3.380 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C1CCOCC1 ZINC000761215463 621994768 /nfs/dbraw/zinc/99/47/68/621994768.db2.gz LURVZCXHCKLLJJ-CQSZACIVSA-N 1 0 313.825 3.349 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(OC)c2O)cn1 ZINC000761214110 621994881 /nfs/dbraw/zinc/99/48/81/621994881.db2.gz FBKLIYAPGRZWIW-UHFFFAOYSA-N 1 0 322.792 3.090 20 10 DGCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2ccc(C)nc2)cc1OC ZINC000761226927 621995509 /nfs/dbraw/zinc/99/55/09/621995509.db2.gz SKSZLLQEVCJFAR-UHFFFAOYSA-N 1 0 316.401 3.138 20 10 DGCDRO O=c1[nH]c2c(cc1C[NH2+]Cc1cc(Cl)ccc1O)CCCC2 ZINC000865879061 622014901 /nfs/dbraw/zinc/01/49/01/622014901.db2.gz HCIQCZGWAOHMBF-UHFFFAOYSA-N 1 0 318.804 3.315 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(Br)cc1O ZINC000762647198 622088727 /nfs/dbraw/zinc/08/87/27/622088727.db2.gz FGVDWTUHLHIFKN-OUJBWJOFSA-N 1 0 314.223 3.230 20 10 DGCDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000762786341 622098218 /nfs/dbraw/zinc/09/82/18/622098218.db2.gz MHSXVPXTYMORTL-UHFFFAOYSA-N 1 0 318.461 3.498 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccccc1O ZINC000866422213 622115411 /nfs/dbraw/zinc/11/54/11/622115411.db2.gz LKAMVYGYDGVVBX-AWEZNQCLSA-N 1 0 313.397 3.463 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)c(O)c1C ZINC000866424784 622115893 /nfs/dbraw/zinc/11/58/93/622115893.db2.gz HFPZRCWEPDAZMG-DOMZBBRYSA-N 1 0 307.434 3.449 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOCC(=O)OC(C)(C)C)c(O)c1 ZINC000866437442 622118168 /nfs/dbraw/zinc/11/81/68/622118168.db2.gz HEXSXPWVDOBYOG-AWEZNQCLSA-N 1 0 323.433 3.018 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cc(Br)ccc1O ZINC000866612651 622146932 /nfs/dbraw/zinc/14/69/32/622146932.db2.gz AVLDQCVCPIHVNM-ZJUUUORDSA-N 1 0 324.222 3.300 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000764770791 622219408 /nfs/dbraw/zinc/21/94/08/622219408.db2.gz OKLBNEWGKKQGAO-KZULUSFZSA-N 1 0 320.383 3.415 20 10 DGCDRO CC[C@H]([NH2+]CCCC(=O)N(CC)CC)c1ccc(N(C)C)cc1 ZINC000764945576 622234995 /nfs/dbraw/zinc/23/49/95/622234995.db2.gz PLNCCGBRLIHOEM-SFHVURJKSA-N 1 0 319.493 3.442 20 10 DGCDRO CC[C@@H]([NH2+]CCCC(=O)N(CC)CC)c1ccc(N(C)C)cc1 ZINC000764945574 622235266 /nfs/dbraw/zinc/23/52/66/622235266.db2.gz PLNCCGBRLIHOEM-GOSISDBHSA-N 1 0 319.493 3.442 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765289824 622257077 /nfs/dbraw/zinc/25/70/77/622257077.db2.gz ORTGAOUGGPPRKO-SJLPKXTDSA-N 1 0 312.457 3.254 20 10 DGCDRO Cc1occc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765395389 622263133 /nfs/dbraw/zinc/26/31/33/622263133.db2.gz ILFWTVWIFFBKRN-ZDUSSCGKSA-N 1 0 318.392 3.415 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000122250138 622272734 /nfs/dbraw/zinc/27/27/34/622272734.db2.gz WMVJECOQBFKJLI-SFHVURJKSA-N 1 0 311.429 3.092 20 10 DGCDRO COC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000122275533 622276021 /nfs/dbraw/zinc/27/60/21/622276021.db2.gz QMRGEGOQTJRQBL-SFHVURJKSA-N 1 0 316.445 3.204 20 10 DGCDRO C[C@H](Cc1ccoc1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000766541760 622338169 /nfs/dbraw/zinc/33/81/69/622338169.db2.gz VDFVSKGANPVSMG-CVEARBPZSA-N 1 0 314.429 3.398 20 10 DGCDRO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C2 ZINC000767727149 622419217 /nfs/dbraw/zinc/41/92/17/622419217.db2.gz IAHFQDKASWDKJI-HNNXBMFYSA-N 1 0 303.789 3.398 20 10 DGCDRO COCC[N@H+](Cc1ccccc1)Cc1c(O)cccc1OC ZINC000768159355 622442277 /nfs/dbraw/zinc/44/22/77/622442277.db2.gz BMQCQJGJEIJVFR-UHFFFAOYSA-N 1 0 301.386 3.049 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)c(O)c1 ZINC000768161697 622442635 /nfs/dbraw/zinc/44/26/35/622442635.db2.gz WZPNALDHOMOPPU-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c(O)c1 ZINC000768197391 622444783 /nfs/dbraw/zinc/44/47/83/622444783.db2.gz JQLLGKHTHCYVQA-UHFFFAOYSA-N 1 0 315.369 3.152 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c(O)c1 ZINC000768197827 622445173 /nfs/dbraw/zinc/44/51/73/622445173.db2.gz NLSZCPFLAVMIJW-QGZVFWFLSA-N 1 0 300.402 3.467 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3ccsc3)CC2)c1 ZINC000768208484 622445705 /nfs/dbraw/zinc/44/57/05/622445705.db2.gz RABCVRVLXOPFLZ-UHFFFAOYSA-N 1 0 302.443 3.080 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCN(C2CC2)CC1 ZINC000768244440 622447512 /nfs/dbraw/zinc/44/75/12/622447512.db2.gz LNPYCIUPUZBEMQ-UHFFFAOYSA-N 1 0 308.425 3.339 20 10 DGCDRO Cc1ccc(C[N@H+](Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768257695 622447814 /nfs/dbraw/zinc/44/78/14/622447814.db2.gz OJGRLBBKGUCXDA-UHFFFAOYSA-N 1 0 301.342 3.187 20 10 DGCDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1c(O)cccc1OC ZINC000768334236 622450494 /nfs/dbraw/zinc/45/04/94/622450494.db2.gz NUHYBGSWOHRVDS-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]2CCCC[C@H]12 ZINC000768439149 622455924 /nfs/dbraw/zinc/45/59/24/622455924.db2.gz ILEWYCVLSXVEGR-CAGXHZNZSA-N 1 0 317.429 3.219 20 10 DGCDRO COC(=O)CC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768444361 622456274 /nfs/dbraw/zinc/45/62/74/622456274.db2.gz XWXQPDSCTJUWNR-UHFFFAOYSA-N 1 0 317.429 3.046 20 10 DGCDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444552 622456734 /nfs/dbraw/zinc/45/67/34/622456734.db2.gz CNFFTPZZKHGOHG-YLQAJVPDSA-N 1 0 305.418 3.219 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H]3CCOC3)C1)CCCC2 ZINC000768461849 622457436 /nfs/dbraw/zinc/45/74/36/622457436.db2.gz GCKITAOIQLDQDM-DLBZAZTESA-N 1 0 301.430 3.129 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(CC(F)F)CC1)CCCC2 ZINC000768465877 622457952 /nfs/dbraw/zinc/45/79/52/622457952.db2.gz RNTUGPKXKPEGKQ-UHFFFAOYSA-N 1 0 324.415 3.044 20 10 DGCDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465571 622458217 /nfs/dbraw/zinc/45/82/17/622458217.db2.gz ISCJFYYHZFJIRK-SRCQZFHVSA-N 1 0 305.418 3.219 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000768545748 622463865 /nfs/dbraw/zinc/46/38/65/622463865.db2.gz CJAOUCLAXVYMPV-QGZVFWFLSA-N 1 0 321.484 3.446 20 10 DGCDRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000768595044 622466557 /nfs/dbraw/zinc/46/65/57/622466557.db2.gz DOWMUESCVJUBPF-UHFFFAOYSA-N 1 0 305.418 3.382 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)cc1 ZINC000768842036 622480314 /nfs/dbraw/zinc/48/03/14/622480314.db2.gz OPNNRHIKWRAEAF-KRWDZBQOSA-N 1 0 316.445 3.067 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c1 ZINC000768878546 622482761 /nfs/dbraw/zinc/48/27/61/622482761.db2.gz QRJPTNVWMXBKEY-OAHLLOKOSA-N 1 0 302.374 3.424 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000768886819 622483102 /nfs/dbraw/zinc/48/31/02/622483102.db2.gz VCDVDSDJDIKAFT-UHFFFAOYSA-N 1 0 319.408 3.445 20 10 DGCDRO COc1cccc(O)c1CN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000768913120 622484893 /nfs/dbraw/zinc/48/48/93/622484893.db2.gz FNZKBBRRKADQDI-OAGGEKHMSA-N 1 0 318.461 3.238 20 10 DGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)o1 ZINC000769235802 622509524 /nfs/dbraw/zinc/50/95/24/622509524.db2.gz GJBLZNPFYNVWIW-LLVKDONJSA-N 1 0 307.781 3.117 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000769316372 622516816 /nfs/dbraw/zinc/51/68/16/622516816.db2.gz OETGOCNKTVTGHP-LJQANCHMSA-N 1 0 313.397 3.364 20 10 DGCDRO CCOc1cccc(C[N@H+](C)CCN(C)c2ccccc2)c1O ZINC000769379651 622522945 /nfs/dbraw/zinc/52/29/45/622522945.db2.gz DCLFMGBGGUGKFF-UHFFFAOYSA-N 1 0 314.429 3.359 20 10 DGCDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769414517 622526134 /nfs/dbraw/zinc/52/61/34/622526134.db2.gz CPNHMGJOVNYGOV-HNNXBMFYSA-N 1 0 306.425 3.427 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1F ZINC000769450171 622528825 /nfs/dbraw/zinc/52/88/25/622528825.db2.gz BNBMONLTGRYSIF-GDBMZVCRSA-N 1 0 308.441 3.407 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769452471 622529228 /nfs/dbraw/zinc/52/92/28/622529228.db2.gz SMPJEMMACPHEDV-HUUCEWRRSA-N 1 0 306.425 3.140 20 10 DGCDRO CCC[N@H+](Cc1c(O)cccc1OC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000769470251 622531007 /nfs/dbraw/zinc/53/10/07/622531007.db2.gz JPDLVTXSNZHWRT-VHSSKADRSA-N 1 0 319.445 3.426 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1O ZINC000769471427 622531098 /nfs/dbraw/zinc/53/10/98/622531098.db2.gz UHPUGHQVPKIPNE-VHSXEESVSA-N 1 0 314.223 3.394 20 10 DGCDRO CCOc1ccc(C[N@@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)c(O)c1 ZINC000769474877 622531440 /nfs/dbraw/zinc/53/14/40/622531440.db2.gz SWQZKCDJXDMQJC-DLBZAZTESA-N 1 0 307.434 3.426 20 10 DGCDRO CN(C)c1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000769482945 622532083 /nfs/dbraw/zinc/53/20/83/622532083.db2.gz LSLZIQLOPWTGAU-MRXNPFEDSA-N 1 0 307.457 3.198 20 10 DGCDRO CN(CC(F)F)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000769511069 622536122 /nfs/dbraw/zinc/53/61/22/622536122.db2.gz RXAVFRLXXXNILE-UHFFFAOYSA-N 1 0 318.795 3.207 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000769514292 622536505 /nfs/dbraw/zinc/53/65/05/622536505.db2.gz IUHPXLHSQTWUQL-ZWKOTPCHSA-N 1 0 302.462 3.391 20 10 DGCDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769519062 622537471 /nfs/dbraw/zinc/53/74/71/622537471.db2.gz IGFYAESYLFGDJX-SFHVURJKSA-N 1 0 306.425 3.284 20 10 DGCDRO CC[NH+](CC)Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871198578 622565663 /nfs/dbraw/zinc/56/56/63/622565663.db2.gz JVHDOJWHCMDTGX-UHFFFAOYSA-N 1 0 324.424 3.390 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](CO)c2ccsc2)ccc1OC ZINC000769931900 622579105 /nfs/dbraw/zinc/57/91/05/622579105.db2.gz FPPSUPUSKOSYJS-MRXNPFEDSA-N 1 0 321.442 3.116 20 10 DGCDRO CC[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccccc1O ZINC000872110205 622812760 /nfs/dbraw/zinc/81/27/60/622812760.db2.gz WSAFDSKHWQCVLU-LBPRGKRZSA-N 1 0 313.323 3.348 20 10 DGCDRO CC[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000872115554 622816957 /nfs/dbraw/zinc/81/69/57/622816957.db2.gz IFLDHWGUXKLVCV-RDJZCZTQSA-N 1 0 304.434 3.137 20 10 DGCDRO CCn1nc(C)c(C[N@H+](C)Cc2cc3c(cc2O)CCC3)c1C ZINC000872632470 622945269 /nfs/dbraw/zinc/94/52/69/622945269.db2.gz SQVQBTPLSQLTQX-UHFFFAOYSA-N 1 0 313.445 3.346 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCOC[C@@H]3C)c2c1 ZINC000772819464 622945823 /nfs/dbraw/zinc/94/58/23/622945823.db2.gz CPBMVCICVVAMLZ-ZDUSSCGKSA-N 1 0 301.386 3.165 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)CC1 ZINC000772875064 622949730 /nfs/dbraw/zinc/94/97/30/622949730.db2.gz IBSGVXNLCLLPRR-UHFFFAOYSA-N 1 0 314.473 3.318 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000772983792 622961148 /nfs/dbraw/zinc/96/11/48/622961148.db2.gz LYPHNHBOMIUWLU-OAHLLOKOSA-N 1 0 303.789 3.311 20 10 DGCDRO CC[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(N(C)C)cc1 ZINC000773083692 622980097 /nfs/dbraw/zinc/98/00/97/622980097.db2.gz NKMDJQLGMOCCAY-QGZVFWFLSA-N 1 0 317.408 3.406 20 10 DGCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(C(C)=O)CC3)c2c1 ZINC000872799167 622980962 /nfs/dbraw/zinc/98/09/62/622980962.db2.gz ZSXBXCNFPWMZSE-UHFFFAOYSA-N 1 0 313.397 3.355 20 10 DGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000773327871 623012894 /nfs/dbraw/zinc/01/28/94/623012894.db2.gz RNBQAZZLDABEKY-IBGZPJMESA-N 1 0 319.445 3.420 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2(OC)CCOCC2)cc1C ZINC000873093110 623035013 /nfs/dbraw/zinc/03/50/13/623035013.db2.gz MQZAYRSDSVSMJX-UHFFFAOYSA-N 1 0 307.434 3.069 20 10 DGCDRO COc1ccc(C[NH2+]CCC(C)(C)F)cc1Cn1cccn1 ZINC000873136935 623046165 /nfs/dbraw/zinc/04/61/65/623046165.db2.gz LTMOOHVYOBEKGJ-UHFFFAOYSA-N 1 0 305.397 3.168 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1 ZINC000873155693 623054385 /nfs/dbraw/zinc/05/43/85/623054385.db2.gz OVXBJGZPENKMRU-ZOPGNSJXSA-N 1 0 300.446 3.313 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCC[C@H]2CCOC2=O)cc1F ZINC000873161991 623058453 /nfs/dbraw/zinc/05/84/53/623058453.db2.gz ZRGOZOWSARZJSX-HNNXBMFYSA-N 1 0 322.424 3.105 20 10 DGCDRO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000873188765 623067552 /nfs/dbraw/zinc/06/75/52/623067552.db2.gz KSRGUUPLPKHMFS-SNVBAGLBSA-N 1 0 322.206 3.104 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)c2nccnc2C)ccc1OC ZINC000873187997 623067931 /nfs/dbraw/zinc/06/79/31/623067931.db2.gz FEQSWMSTKSRJLS-AWEZNQCLSA-N 1 0 315.417 3.181 20 10 DGCDRO CCN(C)c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000773757559 623068191 /nfs/dbraw/zinc/06/81/91/623068191.db2.gz PWNNIACGFJQMGG-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@H](O)c1ccccc1 ZINC000873192397 623068646 /nfs/dbraw/zinc/06/86/46/623068646.db2.gz ATCQPWVAUFYZSH-NVXWUHKLSA-N 1 0 301.386 3.003 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000773756822 623068899 /nfs/dbraw/zinc/06/88/99/623068899.db2.gz VXLKSOHMSCEOMD-MRXNPFEDSA-N 1 0 318.461 3.306 20 10 DGCDRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774480466 623150652 /nfs/dbraw/zinc/15/06/52/623150652.db2.gz CCYIKESFWSLIGM-UONOGXRCSA-N 1 0 305.466 3.097 20 10 DGCDRO COc1c(O)c(C[N@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774821646 623196290 /nfs/dbraw/zinc/19/62/90/623196290.db2.gz DWOQQOOFRWSGLO-UHFFFAOYSA-N 1 0 320.320 3.080 20 10 DGCDRO CCCN(Cc1ccc2c(c1)ncn2C)c1ccc(C[NH3+])cc1 ZINC000775139576 623234827 /nfs/dbraw/zinc/23/48/27/623234827.db2.gz CZALMDXHXJUOAU-UHFFFAOYSA-N 1 0 308.429 3.449 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)Cc1cccc(OC)n1 ZINC000775140095 623235049 /nfs/dbraw/zinc/23/50/49/623235049.db2.gz HZFOHSMFDUPWRQ-HNNXBMFYSA-N 1 0 313.445 3.397 20 10 DGCDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000775183254 623239481 /nfs/dbraw/zinc/23/94/81/623239481.db2.gz IZSPHUFGSPGRBT-GOSISDBHSA-N 1 0 321.417 3.099 20 10 DGCDRO Cc1ccncc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775253968 623246876 /nfs/dbraw/zinc/24/68/76/623246876.db2.gz DPLSAYWPPZVKNX-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)o1 ZINC000775369843 623261566 /nfs/dbraw/zinc/26/15/66/623261566.db2.gz SQNUJLQVHCYTAR-MNOVXSKESA-N 1 0 319.357 3.192 20 10 DGCDRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000775403424 623269476 /nfs/dbraw/zinc/26/94/76/623269476.db2.gz IPZSHAKUYVURNS-CVEARBPZSA-N 1 0 317.477 3.194 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@H]3OC)CC2)cc1 ZINC000775420487 623273303 /nfs/dbraw/zinc/27/33/03/623273303.db2.gz XSLDJRPBJMAQMM-HNAYVOBHSA-N 1 0 318.461 3.069 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(Cl)ccc1O ZINC000775491293 623279851 /nfs/dbraw/zinc/27/98/51/623279851.db2.gz HQHFFXBCJOBNRS-SMDDNHRTSA-N 1 0 310.825 3.097 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(OCCOC)nc1)c1ccccc1O ZINC000775488643 623280135 /nfs/dbraw/zinc/28/01/35/623280135.db2.gz PVFAPVRZVYKUNA-INIZCTEOSA-N 1 0 316.401 3.053 20 10 DGCDRO CC[C@H]([NH2+]CCSCCCO)c1cc(Cl)ccc1O ZINC000775501288 623281410 /nfs/dbraw/zinc/28/14/10/623281410.db2.gz FUUZIJACTSMLAP-ZDUSSCGKSA-N 1 0 303.855 3.202 20 10 DGCDRO CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cc(Cl)ccc1O ZINC000775502613 623281416 /nfs/dbraw/zinc/28/14/16/623281416.db2.gz UQXPGCDIQLYMAJ-INIZCTEOSA-N 1 0 324.852 3.345 20 10 DGCDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Cl)ccc1O ZINC000775506478 623281479 /nfs/dbraw/zinc/28/14/79/623281479.db2.gz AEADNBVHSUYJQF-CYBMUJFWSA-N 1 0 310.825 3.132 20 10 DGCDRO CC[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775504478 623281619 /nfs/dbraw/zinc/28/16/19/623281619.db2.gz YJXOQAUKSBBOSM-SWLSCSKDSA-N 1 0 313.825 3.139 20 10 DGCDRO CC[C@@H]([NH2+]CCCNc1ncccn1)c1cc(Cl)ccc1O ZINC000775512974 623282553 /nfs/dbraw/zinc/28/25/53/623282553.db2.gz UYEPTOBCHHUMKG-CQSZACIVSA-N 1 0 320.824 3.379 20 10 DGCDRO CC[C@H]([NH2+]CC1(OC)CCOCC1)c1cc(Cl)ccc1O ZINC000775523250 623283651 /nfs/dbraw/zinc/28/36/51/623283651.db2.gz GUANKWZSXSGYOF-AWEZNQCLSA-N 1 0 313.825 3.282 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000775524244 623283822 /nfs/dbraw/zinc/28/38/22/623283822.db2.gz RAJWRXFUEKMTRR-GXSJLCMTSA-N 1 0 311.731 3.400 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1O ZINC000775522677 623284336 /nfs/dbraw/zinc/28/43/36/623284336.db2.gz XNLIHDSFQGZFPA-DLBZAZTESA-N 1 0 316.445 3.367 20 10 DGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775554672 623288785 /nfs/dbraw/zinc/28/87/85/623288785.db2.gz CZTXJNRISVEXHI-IJEWVQPXSA-N 1 0 313.825 3.280 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC)C1)c1ccccc1O ZINC000775579983 623292759 /nfs/dbraw/zinc/29/27/59/623292759.db2.gz RQHHXCHVSCQGFJ-LZWOXQAQSA-N 1 0 320.433 3.300 20 10 DGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)o1 ZINC000775672861 623310612 /nfs/dbraw/zinc/31/06/12/623310612.db2.gz PHBSOKYFNNSUOO-LBPRGKRZSA-N 1 0 321.808 3.425 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+](C[C@H](C)O)C(C)C)c1O ZINC000775680474 623312693 /nfs/dbraw/zinc/31/26/93/623312693.db2.gz FYNMMMKPLFAPDN-NSHDSACASA-N 1 0 316.239 3.054 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+](C)Cc2cccn2C)c1O ZINC000775713388 623318412 /nfs/dbraw/zinc/31/84/12/623318412.db2.gz LTQQFONLLSMCIK-UHFFFAOYSA-N 1 0 323.234 3.434 20 10 DGCDRO C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000775725981 623319469 /nfs/dbraw/zinc/31/94/69/623319469.db2.gz NOGIVDPSFGBICA-AWEZNQCLSA-N 1 0 308.853 3.209 20 10 DGCDRO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775835466 623339286 /nfs/dbraw/zinc/33/92/86/623339286.db2.gz ZINKVCVPVNHFOS-HNNXBMFYSA-N 1 0 311.429 3.350 20 10 DGCDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775837505 623339518 /nfs/dbraw/zinc/33/95/18/623339518.db2.gz UBCNOEHRQOWJNX-LBPRGKRZSA-N 1 0 318.442 3.452 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000775838397 623340545 /nfs/dbraw/zinc/34/05/45/623340545.db2.gz YEIXMIUVVOYVPY-SGTLLEGYSA-N 1 0 320.383 3.415 20 10 DGCDRO CCOC(=O)C1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000776113952 623380421 /nfs/dbraw/zinc/38/04/21/623380421.db2.gz TYDKNFCCPLPGDD-UHFFFAOYSA-N 1 0 322.424 3.103 20 10 DGCDRO CCC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776174061 623390520 /nfs/dbraw/zinc/39/05/20/623390520.db2.gz GFVCSGLGHOILGE-AWEZNQCLSA-N 1 0 316.239 3.104 20 10 DGCDRO CCOC(=O)C1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000776174107 623390545 /nfs/dbraw/zinc/39/05/45/623390545.db2.gz IQWXLKMIDCYDOO-UHFFFAOYSA-N 1 0 318.461 3.273 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2CSc3ccccc32)cc1OC ZINC000776207264 623397000 /nfs/dbraw/zinc/39/70/00/623397000.db2.gz FYVFPFAOUSUEDT-ZDUSSCGKSA-N 1 0 317.410 3.346 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000776234562 623400252 /nfs/dbraw/zinc/40/02/52/623400252.db2.gz SAZMQSUGSWZLPZ-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)ccc1OC ZINC000776498523 623436306 /nfs/dbraw/zinc/43/63/06/623436306.db2.gz NJECHLZOUFWXLY-VHSSKADRSA-N 1 0 321.461 3.381 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OCC3CC3)C1)CCC2 ZINC000777556237 623541789 /nfs/dbraw/zinc/54/17/89/623541789.db2.gz SMKZWMAMFCKBCT-GOSISDBHSA-N 1 0 301.430 3.272 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1O ZINC000790483893 625659822 /nfs/dbraw/zinc/65/98/22/625659822.db2.gz ACQRKWLMUNPLNE-INIZCTEOSA-N 1 0 306.450 3.001 20 10 DGCDRO COCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CC[C@@H](C)C1 ZINC000790478760 625659837 /nfs/dbraw/zinc/65/98/37/625659837.db2.gz LTIURTFCUZYHMG-HIFRSBDPSA-N 1 0 323.433 3.046 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1F ZINC000778215151 623627179 /nfs/dbraw/zinc/62/71/79/623627179.db2.gz RDDNYQIPQRBMQP-LJQANCHMSA-N 1 0 316.420 3.279 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc2c(cnn2C)c1 ZINC000876522106 623632803 /nfs/dbraw/zinc/63/28/03/623632803.db2.gz HYVRPNBUTJTDAU-UHFFFAOYSA-N 1 0 323.444 3.056 20 10 DGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876523976 623632911 /nfs/dbraw/zinc/63/29/11/623632911.db2.gz HQHQHFJIOQUPBR-QGZVFWFLSA-N 1 0 302.462 3.412 20 10 DGCDRO CC[C@](C)(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC000876531419 623635577 /nfs/dbraw/zinc/63/55/77/623635577.db2.gz FXPVABHACSTLKH-FUHWJXTLSA-N 1 0 307.434 3.188 20 10 DGCDRO CCCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876575575 623648697 /nfs/dbraw/zinc/64/86/97/623648697.db2.gz KAYPYKSQNWORQP-UHFFFAOYSA-N 1 0 302.462 3.412 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000876591316 623654179 /nfs/dbraw/zinc/65/41/79/623654179.db2.gz GLCDBQWPCFGVOU-GOSISDBHSA-N 1 0 301.361 3.413 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c(O)c1 ZINC000876595253 623656010 /nfs/dbraw/zinc/65/60/10/623656010.db2.gz AREZKBWLDGUQDL-UHFFFAOYSA-N 1 0 324.424 3.049 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)Cc1cccn(C(F)F)c1=O ZINC000876654771 623671040 /nfs/dbraw/zinc/67/10/40/623671040.db2.gz OWZRXXCWOVHBML-UHFFFAOYSA-N 1 0 322.355 3.361 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000876656507 623672496 /nfs/dbraw/zinc/67/24/96/623672496.db2.gz CEFGHVSVXLKMDZ-OAHLLOKOSA-N 1 0 318.461 3.073 20 10 DGCDRO COc1cccc([C@@H]2C[N@H+](Cc3c(C)cccc3O)CCO2)c1 ZINC000876688967 623682843 /nfs/dbraw/zinc/68/28/43/623682843.db2.gz QWMNWFVAEYWSJR-IBGZPJMESA-N 1 0 313.397 3.283 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3CCSCC3)CC2)cc1F ZINC000876806110 623710626 /nfs/dbraw/zinc/71/06/26/623710626.db2.gz KSFQZVQJSMYKHF-UHFFFAOYSA-N 1 0 324.465 3.100 20 10 DGCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000779000411 623719214 /nfs/dbraw/zinc/71/92/14/623719214.db2.gz VIIZHNZFPLBWCK-JKIFEVAISA-N 1 0 306.425 3.369 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@H](C)CN1Cc1ccccc1 ZINC000779020828 623721208 /nfs/dbraw/zinc/72/12/08/623721208.db2.gz TZOSVQYUXDSHTM-IAGOWNOFSA-N 1 0 310.441 3.487 20 10 DGCDRO COc1ccc(C[NH+](C)C)cc1NCc1ccc(C)cc1O ZINC000876844860 623725982 /nfs/dbraw/zinc/72/59/82/623725982.db2.gz KMLYMAIGBOPPSP-UHFFFAOYSA-N 1 0 300.402 3.383 20 10 DGCDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000779073002 623727661 /nfs/dbraw/zinc/72/76/61/623727661.db2.gz NCQPGLCHELWRMP-VHSXEESVSA-N 1 0 302.212 3.230 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000876879249 623734107 /nfs/dbraw/zinc/73/41/07/623734107.db2.gz IFHYDFVEKLBRFZ-UHFFFAOYSA-N 1 0 324.424 3.226 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000876887586 623736047 /nfs/dbraw/zinc/73/60/47/623736047.db2.gz BHPIELGYUXGCEL-INIZCTEOSA-N 1 0 300.402 3.220 20 10 DGCDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc(C)cc1O ZINC000876885500 623736359 /nfs/dbraw/zinc/73/63/59/623736359.db2.gz YDSSEGZDRGHVDW-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1c(C)cccc1O ZINC000876885038 623736463 /nfs/dbraw/zinc/73/64/63/623736463.db2.gz SRPMIQVYWWZBPP-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCCc3ccccc3)cc2)CC1 ZINC000876887512 623736668 /nfs/dbraw/zinc/73/66/68/623736668.db2.gz ZSVAJDGHQAUTHV-UHFFFAOYSA-N 1 0 324.468 3.370 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H](C(N)=O)C1 ZINC000779204459 623742103 /nfs/dbraw/zinc/74/21/03/623742103.db2.gz SNUXNQGTOZJVAE-KSSFIOAISA-N 1 0 324.424 3.145 20 10 DGCDRO COc1cc2c(cc1C[NH2+]Cc1c(C)cccc1O)O[C@H](C)C2 ZINC000876923783 623744559 /nfs/dbraw/zinc/74/45/59/623744559.db2.gz INQLKESITNUATK-CYBMUJFWSA-N 1 0 313.397 3.322 20 10 DGCDRO COc1cc2c(cc1C[NH2+]Cc1ccc(C)cc1O)O[C@H](C)C2 ZINC000876924353 623744719 /nfs/dbraw/zinc/74/47/19/623744719.db2.gz PWUXTEKJHCUHQQ-CYBMUJFWSA-N 1 0 313.397 3.322 20 10 DGCDRO CCCNC(=O)c1cccc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000876939354 623749925 /nfs/dbraw/zinc/74/99/25/623749925.db2.gz HEYVVPZHEYHFLG-UHFFFAOYSA-N 1 0 312.413 3.130 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000779347637 623761779 /nfs/dbraw/zinc/76/17/79/623761779.db2.gz LVSUXMICZSYHDC-AWEZNQCLSA-N 1 0 306.450 3.271 20 10 DGCDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876995246 623762748 /nfs/dbraw/zinc/76/27/48/623762748.db2.gz CPPSDJMZDLQGLP-ASSNKEHSSA-N 1 0 311.362 3.434 20 10 DGCDRO CC(C)(C)OC(=O)NCC1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000876995273 623762837 /nfs/dbraw/zinc/76/28/37/623762837.db2.gz DAZNTZDWUYETNZ-UHFFFAOYSA-N 1 0 320.433 3.177 20 10 DGCDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(C)cc3O)C2)c1 ZINC000877005265 623764258 /nfs/dbraw/zinc/76/42/58/623764258.db2.gz QJSLGJGAEHKZOD-MRXNPFEDSA-N 1 0 312.413 3.078 20 10 DGCDRO C[N@H+](Cc1cccc(Br)n1)Cc1ccccc1O ZINC000779433732 623770341 /nfs/dbraw/zinc/77/03/41/623770341.db2.gz CSBVKZABLHIUSN-UHFFFAOYSA-N 1 0 307.191 3.182 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000779432631 623770653 /nfs/dbraw/zinc/77/06/53/623770653.db2.gz XXRQHRLMGXKJBB-KSSFIOAISA-N 1 0 322.424 3.103 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000877057972 623778550 /nfs/dbraw/zinc/77/85/50/623778550.db2.gz BSAGUXCPVQYNAD-HNNXBMFYSA-N 1 0 309.768 3.316 20 10 DGCDRO CN(C(=O)c1ccccc1CC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000877075279 623785313 /nfs/dbraw/zinc/78/53/13/623785313.db2.gz BZFWSPPJGACWBB-UHFFFAOYSA-N 1 0 323.440 3.088 20 10 DGCDRO CC[NH+](CC)[C@H](C(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877077831 623785866 /nfs/dbraw/zinc/78/58/66/623785866.db2.gz WABVVWRFKQWJAR-SFHVURJKSA-N 1 0 311.429 3.315 20 10 DGCDRO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N)cc1 ZINC000877077777 623786131 /nfs/dbraw/zinc/78/61/31/623786131.db2.gz UJDRISBWUQHDMA-KRWDZBQOSA-N 1 0 323.440 3.144 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000877128382 623798899 /nfs/dbraw/zinc/79/88/99/623798899.db2.gz GOHRIUMDNUDBGV-SCLBCKFNSA-N 1 0 303.377 3.442 20 10 DGCDRO Cc1ccc(C[NH2+]CCCc2nc3ccccc3n2C)c(O)c1 ZINC000877152404 623809762 /nfs/dbraw/zinc/80/97/62/623809762.db2.gz MUNASMFITOPSQG-UHFFFAOYSA-N 1 0 309.413 3.310 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000877380380 623864001 /nfs/dbraw/zinc/86/40/01/623864001.db2.gz IPNPTWBYAFTCRU-AWEZNQCLSA-N 1 0 317.458 3.036 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCCC4(CC4)C3)cc2)CC1 ZINC000877405790 623872021 /nfs/dbraw/zinc/87/20/21/623872021.db2.gz MYBOYLHKIVJJST-UHFFFAOYSA-N 1 0 300.446 3.024 20 10 DGCDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877478614 623902537 /nfs/dbraw/zinc/90/25/37/623902537.db2.gz ORKXQHBBTPHPHC-INIZCTEOSA-N 1 0 314.473 3.412 20 10 DGCDRO COCC[N@H+](Cc1scnc1C)Cc1ccc(C)cc1O ZINC000877482186 623904807 /nfs/dbraw/zinc/90/48/07/623904807.db2.gz AQNAXTFIHFWTPH-UHFFFAOYSA-N 1 0 306.431 3.114 20 10 DGCDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877527377 623924305 /nfs/dbraw/zinc/92/43/05/623924305.db2.gz KXLNPXPWHLVRBV-INIZCTEOSA-N 1 0 316.401 3.097 20 10 DGCDRO COC(=O)c1csc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000877532039 623927077 /nfs/dbraw/zinc/92/70/77/623927077.db2.gz BWWNKWGQNLQWRV-SNVBAGLBSA-N 1 0 321.398 3.100 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3cccnc3CC2)c1 ZINC000877533482 623928980 /nfs/dbraw/zinc/92/89/80/623928980.db2.gz PAFJSEXEQPFUCI-DZGCQCFKSA-N 1 0 312.413 3.394 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3cccnc3CC2)c1 ZINC000877533484 623929009 /nfs/dbraw/zinc/92/90/09/623929009.db2.gz PAFJSEXEQPFUCI-UKRRQHHQSA-N 1 0 312.413 3.394 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccnc(OC)c2)c1 ZINC000877533380 623929126 /nfs/dbraw/zinc/92/91/26/623929126.db2.gz NUYUBUJZRBDJFH-OLZOCXBDSA-N 1 0 316.401 3.086 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000877542684 623934896 /nfs/dbraw/zinc/93/48/96/623934896.db2.gz VGOYNLDQCICTFZ-OAHLLOKOSA-N 1 0 314.404 3.456 20 10 DGCDRO Cc1ccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c(O)c1 ZINC000877552062 623937910 /nfs/dbraw/zinc/93/79/10/623937910.db2.gz PKANPVRQWFMSMU-UHFFFAOYSA-N 1 0 310.319 3.447 20 10 DGCDRO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(O)c1 ZINC000877561097 623941511 /nfs/dbraw/zinc/94/15/11/623941511.db2.gz HQHNCZYQKWJLJO-IEBWSBKVSA-N 1 0 315.388 3.001 20 10 DGCDRO CCC1(CC)C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877580527 623950805 /nfs/dbraw/zinc/95/08/05/623950805.db2.gz RZZHYSBFUOWXIL-UHFFFAOYSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000877590481 623954575 /nfs/dbraw/zinc/95/45/75/623954575.db2.gz ZYFFHFQQLLHNKC-HXUWFJFHSA-N 1 0 323.392 3.311 20 10 DGCDRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000780587535 623956190 /nfs/dbraw/zinc/95/61/90/623956190.db2.gz OUDWUHIJVTWXSC-UHFFFAOYSA-N 1 0 316.367 3.344 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000877598084 623957110 /nfs/dbraw/zinc/95/71/10/623957110.db2.gz HQJSHDPQQZAAIG-WCXIOVBPSA-N 1 0 300.446 3.157 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]CC3CCSCC3)C2)cc1 ZINC000877598422 623958375 /nfs/dbraw/zinc/95/83/75/623958375.db2.gz OCJDAFITVSPGNR-INIZCTEOSA-N 1 0 320.502 3.254 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c(O)c1 ZINC000877628814 623969755 /nfs/dbraw/zinc/96/97/55/623969755.db2.gz KOGVWFMLMUNXPR-RBUKOAKNSA-N 1 0 311.425 3.299 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c1O ZINC000877645135 623976796 /nfs/dbraw/zinc/97/67/96/623976796.db2.gz BMJYBGZFCOGVNI-GOSISDBHSA-N 1 0 312.413 3.141 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](C)CC2(C)OCCO2)c1O ZINC000877670210 623985153 /nfs/dbraw/zinc/98/51/53/623985153.db2.gz JXGSZIJFHFMEBA-LLVKDONJSA-N 1 0 313.825 3.233 20 10 DGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000877672755 623986837 /nfs/dbraw/zinc/98/68/37/623986837.db2.gz MMIGCJNPUUZGEV-UHFFFAOYSA-N 1 0 324.424 3.095 20 10 DGCDRO CC(=O)Nc1cccc2c1C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000877681467 623989074 /nfs/dbraw/zinc/98/90/74/623989074.db2.gz HGZSEMNHQAYMTG-UHFFFAOYSA-N 1 0 323.440 3.269 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1O ZINC000790737621 625691068 /nfs/dbraw/zinc/69/10/68/625691068.db2.gz NTIHRCKCZCIVIQ-TZMCWYRMSA-N 1 0 321.367 3.172 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)cc1C ZINC000877714340 624003418 /nfs/dbraw/zinc/00/34/18/624003418.db2.gz UIEZRFKUEWKADN-GOSISDBHSA-N 1 0 323.440 3.389 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000877731450 624007613 /nfs/dbraw/zinc/00/76/13/624007613.db2.gz XOLBPBFRODTHHH-OKILXGFUSA-N 1 0 320.433 3.094 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2nn(C)cc2C(F)F)cc1Cl ZINC000877732260 624007760 /nfs/dbraw/zinc/00/77/60/624007760.db2.gz CBGQDVYJMRNFMD-UHFFFAOYSA-N 1 0 315.751 3.315 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c1O ZINC000877739725 624012235 /nfs/dbraw/zinc/01/22/35/624012235.db2.gz SXVIATAQTJEOOY-PWSUYJOCSA-N 1 0 313.850 3.239 20 10 DGCDRO COc1ccc([C@H]2C[N@H+](Cc3c(C)cccc3O)CCO2)cc1 ZINC000877756370 624022828 /nfs/dbraw/zinc/02/28/28/624022828.db2.gz UMTOEGMOEVTCDJ-LJQANCHMSA-N 1 0 313.397 3.283 20 10 DGCDRO COc1ccc([C@@H]2C[N@H+](Cc3cc(C)ccc3O)CCO2)cc1 ZINC000877757673 624023822 /nfs/dbraw/zinc/02/38/22/624023822.db2.gz QRINSYUCEVWPHX-IBGZPJMESA-N 1 0 313.397 3.283 20 10 DGCDRO COc1ccc([C@@H]2C[N@H+](Cc3cccc(C)c3O)CCO2)cc1 ZINC000877757724 624024073 /nfs/dbraw/zinc/02/40/73/624024073.db2.gz SKOIRUVLIRFDIH-SFHVURJKSA-N 1 0 313.397 3.283 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)cc1C ZINC000877775207 624032540 /nfs/dbraw/zinc/03/25/40/624032540.db2.gz VLOIFRBIEHIZSH-UHFFFAOYSA-N 1 0 318.461 3.089 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000877814138 624046328 /nfs/dbraw/zinc/04/63/28/624046328.db2.gz UGTFSTGNEYOTTC-GFCCVEGCSA-N 1 0 304.415 3.155 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCc3ccc(NC(C)=O)cc3C2)c1O ZINC000877817990 624049135 /nfs/dbraw/zinc/04/91/35/624049135.db2.gz VIMRRUIKJLJJPG-UHFFFAOYSA-N 1 0 324.424 3.471 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000878362558 624256789 /nfs/dbraw/zinc/25/67/89/624256789.db2.gz CWIJEVHNKZCKKV-DOTOQJQBSA-N 1 0 319.445 3.409 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccccc1O ZINC000878362505 624256839 /nfs/dbraw/zinc/25/68/39/624256839.db2.gz BDQDOQCABBQYKO-ZBFHGGJFSA-N 1 0 305.418 3.161 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000878454864 624282460 /nfs/dbraw/zinc/28/24/60/624282460.db2.gz JTGJSBCBYAYCHR-CYBMUJFWSA-N 1 0 300.377 3.425 20 10 DGCDRO C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1O ZINC000783503106 624358939 /nfs/dbraw/zinc/35/89/39/624358939.db2.gz GQNWHHZELUSXGM-RHSMWYFYSA-N 1 0 312.413 3.262 20 10 DGCDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccccc1O ZINC000783504772 624360068 /nfs/dbraw/zinc/36/00/68/624360068.db2.gz KROLCOLFVPZQDF-LBPRGKRZSA-N 1 0 318.804 3.126 20 10 DGCDRO C[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000783519758 624361367 /nfs/dbraw/zinc/36/13/67/624361367.db2.gz SVCFOHYAPRXAAY-AWEZNQCLSA-N 1 0 313.397 3.447 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000783718770 624387522 /nfs/dbraw/zinc/38/75/22/624387522.db2.gz RTXWOYFLAGYZTM-AWEZNQCLSA-N 1 0 303.324 3.244 20 10 DGCDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1c(O)cccc1OC)C2 ZINC000784623552 624560460 /nfs/dbraw/zinc/56/04/60/624560460.db2.gz NXWWWDYINRFAMD-OAHLLOKOSA-N 1 0 313.397 3.057 20 10 DGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC000784679289 624569814 /nfs/dbraw/zinc/56/98/14/624569814.db2.gz IGFZXQZNRAYGKS-UHFFFAOYSA-N 1 0 301.361 3.141 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccccc1O ZINC000879648120 624621152 /nfs/dbraw/zinc/62/11/52/624621152.db2.gz ZAFJIQYJEYZTQL-HLLBOEOZSA-N 1 0 316.445 3.224 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1cccnc1Cl ZINC000879648295 624621503 /nfs/dbraw/zinc/62/15/03/624621503.db2.gz IVAAZCJIEBKTRI-GHMZBOCLSA-N 1 0 319.792 3.118 20 10 DGCDRO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1O ZINC000879650617 624624582 /nfs/dbraw/zinc/62/45/82/624624582.db2.gz JRZZEXZVPABSCB-AWEZNQCLSA-N 1 0 318.461 3.328 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000786164098 624814980 /nfs/dbraw/zinc/81/49/80/624814980.db2.gz NXIBZAXOHVQFGP-AWEZNQCLSA-N 1 0 305.805 3.047 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000786578738 624925186 /nfs/dbraw/zinc/92/51/86/624925186.db2.gz IDBHCXQQYAVWAI-QGZVFWFLSA-N 1 0 319.832 3.356 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCCOC1 ZINC000880467223 624963056 /nfs/dbraw/zinc/96/30/56/624963056.db2.gz YNZVBDCOELIXND-LRDDRELGSA-N 1 0 309.381 3.029 20 10 DGCDRO CO[C@H](CC[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000786953859 624966790 /nfs/dbraw/zinc/96/67/90/624966790.db2.gz NPYOILYRWTZALZ-BXUZGUMPSA-N 1 0 304.356 3.371 20 10 DGCDRO CCOC(CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)OCC ZINC000786971695 624968713 /nfs/dbraw/zinc/96/87/13/624968713.db2.gz XRUYYUXVAWTDDA-YPMHNXCESA-N 1 0 311.397 3.458 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC000880568857 624979450 /nfs/dbraw/zinc/97/94/50/624979450.db2.gz FJEWIJNGPSBWIB-FQEVSTJZSA-N 1 0 320.440 3.480 20 10 DGCDRO COCC[N@H+](Cc1scnc1C)Cc1cccc(C)c1O ZINC000787306004 624999514 /nfs/dbraw/zinc/99/95/14/624999514.db2.gz XZKYJULNNHHDTN-UHFFFAOYSA-N 1 0 306.431 3.114 20 10 DGCDRO CCn1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1=O ZINC000788605637 625225784 /nfs/dbraw/zinc/22/57/84/625225784.db2.gz BBEUQAHKRWOLMV-BXUZGUMPSA-N 1 0 316.376 3.051 20 10 DGCDRO CCn1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1=O ZINC000788605210 625225814 /nfs/dbraw/zinc/22/58/14/625225814.db2.gz NBDLJFKWMSGYCO-CQSZACIVSA-N 1 0 300.402 3.041 20 10 DGCDRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000129874470 625791634 /nfs/dbraw/zinc/79/16/34/625791634.db2.gz KOJZDKJTFGRSJL-INIZCTEOSA-N 1 0 317.477 3.244 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000883078599 625918164 /nfs/dbraw/zinc/91/81/64/625918164.db2.gz WVCPLSHBJCPJEI-DYEKYZERSA-N 1 0 317.426 3.140 20 10 DGCDRO CCOc1cccc(C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)c1O ZINC000792192315 625923117 /nfs/dbraw/zinc/92/31/17/625923117.db2.gz HQBYSARVRFZAAN-HOCLYGCPSA-N 1 0 307.434 3.428 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CCCC1 ZINC000792195890 625923791 /nfs/dbraw/zinc/92/37/91/625923791.db2.gz ODMQJNHCGXLFLQ-UHFFFAOYSA-N 1 0 311.809 3.259 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)c1 ZINC000792193717 625923838 /nfs/dbraw/zinc/92/38/38/625923838.db2.gz YXNQRLQVCUCZRG-ZBFHGGJFSA-N 1 0 307.434 3.428 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000796111500 626023012 /nfs/dbraw/zinc/02/30/12/626023012.db2.gz GGEHTHQEMCRHGG-UHFFFAOYSA-N 1 0 313.401 3.335 20 10 DGCDRO OCC1(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000796315965 626038117 /nfs/dbraw/zinc/03/81/17/626038117.db2.gz OZTDSQBPIHZYMI-UHFFFAOYSA-N 1 0 322.452 3.111 20 10 DGCDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796343080 626040567 /nfs/dbraw/zinc/04/05/67/626040567.db2.gz PONFNXVEQKXDCD-IRXDYDNUSA-N 1 0 324.468 3.498 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1F ZINC000796497492 626056247 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ZINC000799297198 626284943 /nfs/dbraw/zinc/28/49/43/626284943.db2.gz SVUUBRFLWUVYLY-UHFFFAOYSA-N 1 0 316.445 3.060 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c1 ZINC000799732427 626325923 /nfs/dbraw/zinc/32/59/23/626325923.db2.gz YOETUJGNJQBMAD-GDBMZVCRSA-N 1 0 315.413 3.045 20 10 DGCDRO C[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCOC3)cc2Cl)C1 ZINC000800275425 626346797 /nfs/dbraw/zinc/34/67/97/626346797.db2.gz CCKADQOTONICIZ-ZFWWWQNUSA-N 1 0 308.853 3.455 20 10 DGCDRO C[C@H]([NH2+]CCCNC(=O)/C=C\c1ccccc1)c1ccccc1O ZINC000800503879 626365287 /nfs/dbraw/zinc/36/52/87/626365287.db2.gz ALHLIFQXVHHERF-AHKFDXCISA-N 1 0 324.424 3.263 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N(C)C(C)C ZINC000801596883 626411709 /nfs/dbraw/zinc/41/17/09/626411709.db2.gz SKMOREBBUXXMAM-OAHLLOKOSA-N 1 0 306.450 3.250 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1CCC(C)(C)C1=O ZINC000839969317 626562270 /nfs/dbraw/zinc/56/22/70/626562270.db2.gz NKYSIOKVWMJTLV-UHFFFAOYSA-N 1 0 317.477 3.179 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@@H](C)[C@H](C)C1=O ZINC000839969690 626563107 /nfs/dbraw/zinc/56/31/07/626563107.db2.gz LTGUHWGPDUAFAO-CVEARBPZSA-N 1 0 317.477 3.035 20 10 DGCDRO CCCC[N@H+](Cc1cn(C)nc1CC)Cc1ccccc1O ZINC000802657804 626565230 /nfs/dbraw/zinc/56/52/30/626565230.db2.gz UAECFCSEQSHXRN-UHFFFAOYSA-N 1 0 301.434 3.490 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)cc1 ZINC000883275847 626633158 /nfs/dbraw/zinc/63/31/58/626633158.db2.gz BOULJYXMHITCQI-NVXWUHKLSA-N 1 0 316.445 3.238 20 10 DGCDRO COC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000883315582 626643553 /nfs/dbraw/zinc/64/35/53/626643553.db2.gz QLGFCJYKMGKDTL-XBXGTLAGSA-N 1 0 307.434 3.213 20 10 DGCDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000806169822 626704214 /nfs/dbraw/zinc/70/42/14/626704214.db2.gz RIJBKTBYGAJJID-QWRGUYRKSA-N 1 0 316.239 3.070 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1O ZINC000806180534 626704870 /nfs/dbraw/zinc/70/48/70/626704870.db2.gz OXVOEXWHIPLADR-TZMCWYRMSA-N 1 0 305.805 3.472 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(Cl)ccc1O ZINC000806178051 626704886 /nfs/dbraw/zinc/70/48/86/626704886.db2.gz BOJVCXYMZDXXFO-CZUORRHYSA-N 1 0 320.820 3.257 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000840095853 626757602 /nfs/dbraw/zinc/75/76/02/626757602.db2.gz JFWSTRYPDSNXQW-RTBURBONSA-N 1 0 310.397 3.084 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000840095848 626757820 /nfs/dbraw/zinc/75/78/20/626757820.db2.gz JFWSTRYPDSNXQW-OALUTQOASA-N 1 0 310.397 3.084 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000840114688 626768744 /nfs/dbraw/zinc/76/87/44/626768744.db2.gz OBBUFIYDFMGMDW-QGZVFWFLSA-N 1 0 313.388 3.200 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)CCC2 ZINC000840118731 626770353 /nfs/dbraw/zinc/77/03/53/626770353.db2.gz ZSHYCFPTTYLNJP-OTWHNJEPSA-N 1 0 315.457 3.396 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000840120448 626771941 /nfs/dbraw/zinc/77/19/41/626771941.db2.gz LLUDUPCSLAMMKR-OLMNPRSZSA-N 1 0 312.413 3.066 20 10 DGCDRO CC[C@@H]1CCC[C@]1(C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010745 626788126 /nfs/dbraw/zinc/78/81/26/626788126.db2.gz KVPWUWRBAMTBAW-AYBZRNKSSA-N 1 0 317.477 3.085 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000808238440 626807702 /nfs/dbraw/zinc/80/77/02/626807702.db2.gz FSGLVPDLNSGMPL-UHFFFAOYSA-N 1 0 311.381 3.382 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000808452610 626826620 /nfs/dbraw/zinc/82/66/20/626826620.db2.gz MLUGUNGOJAMEMI-AWEZNQCLSA-N 1 0 307.752 3.278 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c1 ZINC000133704726 626833054 /nfs/dbraw/zinc/83/30/54/626833054.db2.gz RNLOVCSIMOOURO-HNNXBMFYSA-N 1 0 320.433 3.094 20 10 DGCDRO Cc1noc(CCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000808705213 626852003 /nfs/dbraw/zinc/85/20/03/626852003.db2.gz BJNDRIVUUYRBGY-JTQLQIEISA-N 1 0 309.797 3.329 20 10 DGCDRO CC(C)(C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840148809 626868819 /nfs/dbraw/zinc/86/88/19/626868819.db2.gz ANTOCHDWFMQVFW-LRDDRELGSA-N 1 0 305.418 3.076 20 10 DGCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000809724870 626942036 /nfs/dbraw/zinc/94/20/36/626942036.db2.gz CKMYXOAWRXWWLH-INIZCTEOSA-N 1 0 320.433 3.191 20 10 DGCDRO C[NH+](C)CCN(Cc1ccc(F)cc1)Cc1cc(F)ccc1O ZINC000809736288 626943591 /nfs/dbraw/zinc/94/35/91/626943591.db2.gz NBVZMSGRFZSRKI-UHFFFAOYSA-N 1 0 320.383 3.234 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c1O ZINC000809739663 626944083 /nfs/dbraw/zinc/94/40/83/626944083.db2.gz BBRKDMZEMYWIAU-UHFFFAOYSA-N 1 0 322.748 3.252 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ncccc2C(F)(F)F)c1O ZINC000809740238 626944940 /nfs/dbraw/zinc/94/49/40/626944940.db2.gz QQIJRTRHXZZQLY-UHFFFAOYSA-N 1 0 312.291 3.104 20 10 DGCDRO COc1cccc(O)c1CN(CC[NH+](C)C)Cc1cccs1 ZINC000809746752 626945458 /nfs/dbraw/zinc/94/54/58/626945458.db2.gz YUSNLODJDRSFBC-UHFFFAOYSA-N 1 0 320.458 3.026 20 10 DGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809768067 626950194 /nfs/dbraw/zinc/95/01/94/626950194.db2.gz BJICKYNCINSRST-GOEBONIOSA-N 1 0 306.425 3.425 20 10 DGCDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000809767812 626950521 /nfs/dbraw/zinc/95/05/21/626950521.db2.gz UYAGFUAUQVWIQB-INIZCTEOSA-N 1 0 308.491 3.097 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)ccc1N1CCOCC1 ZINC000809786872 626952880 /nfs/dbraw/zinc/95/28/80/626952880.db2.gz NODPNTFHXFQYCG-QGZVFWFLSA-N 1 0 318.436 3.284 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cncn2C)c(C)n1-c1cccc(C)c1 ZINC000810159338 626982203 /nfs/dbraw/zinc/98/22/03/626982203.db2.gz OUUHBHUEYDQYLO-UHFFFAOYSA-N 1 0 308.429 3.426 20 10 DGCDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1C ZINC000810165608 626983870 /nfs/dbraw/zinc/98/38/70/626983870.db2.gz XCQBHISVEHDIET-QUCCMNQESA-N 1 0 311.425 3.259 20 10 DGCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000810174276 626984119 /nfs/dbraw/zinc/98/41/19/626984119.db2.gz QVHXPKSPUUHHNM-ZIAGYGMSSA-N 1 0 321.421 3.098 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)OC ZINC000810176025 626984370 /nfs/dbraw/zinc/98/43/70/626984370.db2.gz HGTPACHDHFHNSA-ZDUSSCGKSA-N 1 0 304.356 3.286 20 10 DGCDRO COCC[C@H](COC)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000810257209 626993789 /nfs/dbraw/zinc/99/37/89/626993789.db2.gz NEUPWFWMMJWOKW-SJLPKXTDSA-N 1 0 320.477 3.379 20 10 DGCDRO COCC[C@@H](COC)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000810257737 626994070 /nfs/dbraw/zinc/99/40/70/626994070.db2.gz UYDTWHWVKAAAID-YPMHNXCESA-N 1 0 301.814 3.056 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cc2c(cc1O)CCCC2 ZINC000810259547 626994078 /nfs/dbraw/zinc/99/40/78/626994078.db2.gz LQMZWJJQCOVZFU-SCLBCKFNSA-N 1 0 303.446 3.473 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cc1C ZINC000136034141 627039572 /nfs/dbraw/zinc/03/95/72/627039572.db2.gz LGSVOLRAAIZLSQ-UHFFFAOYSA-N 1 0 318.461 3.184 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000136156417 627046148 /nfs/dbraw/zinc/04/61/48/627046148.db2.gz PXGULZWLZRBAFY-QGZVFWFLSA-N 1 0 322.811 3.368 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCc4cccnc43)CC2)cc1 ZINC000886521150 627156290 /nfs/dbraw/zinc/15/62/90/627156290.db2.gz VXDCBJHIRJOKMV-LJQANCHMSA-N 1 0 323.440 3.336 20 10 DGCDRO C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1c([O-])cccc1F ZINC000886640348 627178505 /nfs/dbraw/zinc/17/85/05/627178505.db2.gz XGZPIPKMVOGEFW-CYBMUJFWSA-N 1 0 306.425 3.304 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c(O)c1 ZINC000886764027 627201661 /nfs/dbraw/zinc/20/16/61/627201661.db2.gz JOROCWXJUIAOMU-YRBFXIGRSA-N 1 0 305.418 3.078 20 10 DGCDRO COc1cccc(CN2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1O ZINC000811508173 627283642 /nfs/dbraw/zinc/28/36/42/627283642.db2.gz DKHSBUOVDYKPMT-KRWDZBQOSA-N 1 0 324.424 3.385 20 10 DGCDRO CC[C@]1(C[NH2+]Cc2cc(F)ccc2O)OCCc2ccccc21 ZINC000811509936 627283999 /nfs/dbraw/zinc/28/39/99/627283999.db2.gz MQDYSFMITJQNOG-LJQANCHMSA-N 1 0 315.388 3.499 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512828 627284811 /nfs/dbraw/zinc/28/48/11/627284811.db2.gz LMDXVNLNMBBBDR-KRWDZBQOSA-N 1 0 312.388 3.168 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cccc(C)c2O)cc(N2CCCC2)n1 ZINC000811513864 627286066 /nfs/dbraw/zinc/28/60/66/627286066.db2.gz TWYRZLBQEMWQOR-UHFFFAOYSA-N 1 0 311.429 3.294 20 10 DGCDRO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)cc1C ZINC000811777272 627321120 /nfs/dbraw/zinc/32/11/20/627321120.db2.gz IGVCSWNYWUGYPI-NVXWUHKLSA-N 1 0 305.418 3.099 20 10 DGCDRO c1cc(N2CCOCC2)ccc1CNc1cc2c(c[nH+]1)CCCC2 ZINC000812345490 627373045 /nfs/dbraw/zinc/37/30/45/627373045.db2.gz ATRNMNOOZXYKHR-UHFFFAOYSA-N 1 0 323.440 3.409 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000812509824 627393955 /nfs/dbraw/zinc/39/39/55/627393955.db2.gz LSQAXTDVZOJNBK-HNNXBMFYSA-N 1 0 321.465 3.043 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)ccc1N(C)C ZINC000815062453 627621562 /nfs/dbraw/zinc/62/15/62/627621562.db2.gz UVDDYVIZSGCRHA-SFHVURJKSA-N 1 0 311.429 3.109 20 10 DGCDRO C[N@H+](Cc1ccnc(Br)c1)Cc1ccccc1O ZINC000815069658 627622168 /nfs/dbraw/zinc/62/21/68/627622168.db2.gz DWKOEFSNKJIXDC-UHFFFAOYSA-N 1 0 307.191 3.182 20 10 DGCDRO Cc1cc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)ccc1N(C)C ZINC000815080850 627624024 /nfs/dbraw/zinc/62/40/24/627624024.db2.gz KLASNRIMLSWKMI-UHFFFAOYSA-N 1 0 319.493 3.092 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](CO)c2cccc(F)c2)ccc1N(C)C ZINC000815087606 627624390 /nfs/dbraw/zinc/62/43/90/627624390.db2.gz WVNZGXQKVQWZHZ-KRWDZBQOSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)ccc1N(C)C ZINC000815091866 627625419 /nfs/dbraw/zinc/62/54/19/627625419.db2.gz SUTWGZMZZAZZFX-GOSISDBHSA-N 1 0 302.462 3.310 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1 ZINC000815108472 627627623 /nfs/dbraw/zinc/62/76/23/627627623.db2.gz XGBYBSGBMDVEQU-OAQYLSRUSA-N 1 0 324.468 3.456 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCN(c3cnccc3C)CC2)cc1 ZINC000815107336 627627763 /nfs/dbraw/zinc/62/77/63/627627763.db2.gz JQZSLUCLDNJFDH-UHFFFAOYSA-N 1 0 324.472 3.168 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccc1N(C)C ZINC000815117601 627629446 /nfs/dbraw/zinc/62/94/46/627629446.db2.gz ADMDMEQBJWGDTO-INIZCTEOSA-N 1 0 318.852 3.358 20 10 DGCDRO Cc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1N(C)C ZINC000815118666 627629730 /nfs/dbraw/zinc/62/97/30/627629730.db2.gz QYRMEVIPPBEJTF-LPHOPBHVSA-N 1 0 301.478 3.120 20 10 DGCDRO c1cc(NCc2ccc(N3CCOCC3)cc2)nc(C2CC2)c1 ZINC000815144056 627636587 /nfs/dbraw/zinc/63/65/87/627636587.db2.gz SLDDWVQUYPWJSI-UHFFFAOYSA-N 1 0 309.413 3.408 20 10 DGCDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924762308 627677438 /nfs/dbraw/zinc/67/74/38/627677438.db2.gz ZNBPQFNCPVAQKV-BDQBCWGISA-N 1 0 320.452 3.311 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c(O)c1 ZINC000815553441 627684420 /nfs/dbraw/zinc/68/44/20/627684420.db2.gz AGFMEICIYFTGCC-IRXDYDNUSA-N 1 0 320.477 3.016 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c(O)c1 ZINC000815557745 627684981 /nfs/dbraw/zinc/68/49/81/627684981.db2.gz CQPSNYUEYSNGSM-BBRMVZONSA-N 1 0 311.429 3.316 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c(O)c1 ZINC000815598639 627689865 /nfs/dbraw/zinc/68/98/65/627689865.db2.gz ZDEYYNTZNNDXAT-FOIQADDNSA-N 1 0 311.425 3.494 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598153 627689902 /nfs/dbraw/zinc/68/99/02/627689902.db2.gz NVIGGBIPJRHITN-DCAQKATOSA-N 1 0 303.324 3.365 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000815632418 627693011 /nfs/dbraw/zinc/69/30/11/627693011.db2.gz MPMBSQPCWZTYFU-HOTGVXAUSA-N 1 0 319.493 3.346 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)n1 ZINC000925104379 627709063 /nfs/dbraw/zinc/70/90/63/627709063.db2.gz YDTVHJGDGQTSQL-KGLIPLIRSA-N 1 0 312.504 3.420 20 10 DGCDRO C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000925736773 627785233 /nfs/dbraw/zinc/78/52/33/627785233.db2.gz BZOUPTDBTDPWSF-MRVPVSSYSA-N 1 0 319.218 3.072 20 10 DGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816477886 627795326 /nfs/dbraw/zinc/79/53/26/627795326.db2.gz NCVOJOUTVPHDMC-INIZCTEOSA-N 1 0 313.397 3.321 20 10 DGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000816515144 627800380 /nfs/dbraw/zinc/80/03/80/627800380.db2.gz QTDQMNAASIYZEI-AAEUAGOBSA-N 1 0 314.832 3.489 20 10 DGCDRO CNC(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816534788 627803514 /nfs/dbraw/zinc/80/35/14/627803514.db2.gz UURWRDKJPJEEJW-UHFFFAOYSA-N 1 0 320.392 3.195 20 10 DGCDRO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816537962 627804061 /nfs/dbraw/zinc/80/40/61/627804061.db2.gz ZQNCSDMHILXAES-GOSISDBHSA-N 1 0 323.392 3.377 20 10 DGCDRO CN(C)[C@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCSC1 ZINC000816555503 627806596 /nfs/dbraw/zinc/80/65/96/627806596.db2.gz HMRWGDULZAMUJC-SFHVURJKSA-N 1 0 316.470 3.072 20 10 DGCDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816587769 627811465 /nfs/dbraw/zinc/81/14/65/627811465.db2.gz VXGKGHUKQBSKSJ-GPCCPHFNSA-N 1 0 301.789 3.166 20 10 DGCDRO COc1ccc(C[NH2+]Cc2conc2Cc2ccccc2)c(O)c1 ZINC000816597520 627812281 /nfs/dbraw/zinc/81/22/81/627812281.db2.gz VIHNGODVMDUCRK-UHFFFAOYSA-N 1 0 324.380 3.269 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H](C)[S@@]1=O ZINC000816608815 627814698 /nfs/dbraw/zinc/81/46/98/627814698.db2.gz KEOGOYBZQDJKHQ-XNVILDLWSA-N 1 0 317.454 3.277 20 10 DGCDRO CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccnc1 ZINC000816637591 627816943 /nfs/dbraw/zinc/81/69/43/627816943.db2.gz IPRLYIHFRRNFQY-MRXNPFEDSA-N 1 0 320.820 3.290 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1O ZINC000816653335 627820651 /nfs/dbraw/zinc/82/06/51/627820651.db2.gz OGDUNRVTASVWAW-HNNXBMFYSA-N 1 0 318.804 3.060 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816657426 627821633 /nfs/dbraw/zinc/82/16/33/627821633.db2.gz RRXUDKDGQXXNMU-INIZCTEOSA-N 1 0 307.821 3.437 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CC23CCSCC3)c1O ZINC000817411243 627895069 /nfs/dbraw/zinc/89/50/69/627895069.db2.gz QDNPXDLYRWPHLY-AWEZNQCLSA-N 1 0 307.459 3.414 20 10 DGCDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2O)C1 ZINC000817415177 627896773 /nfs/dbraw/zinc/89/67/73/627896773.db2.gz TZLHNAHMRMEBQV-HIFRSBDPSA-N 1 0 305.418 3.192 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(C)cc1O ZINC000817585685 627925938 /nfs/dbraw/zinc/92/59/38/627925938.db2.gz GXPWBRLZVUZXEL-DZKIICNBSA-N 1 0 304.434 3.033 20 10 DGCDRO CC1CCN(c2ccc(CN[C@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000817902781 627957427 /nfs/dbraw/zinc/95/74/27/627957427.db2.gz YEEROIXBQJRKQY-LPHOPBHVSA-N 1 0 301.478 3.011 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000817938751 627967186 /nfs/dbraw/zinc/96/71/86/627967186.db2.gz RHCNELAYAHIGIU-SJORKVTESA-N 1 0 315.486 3.481 20 10 DGCDRO Cc1cc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)o1 ZINC000817939215 627967259 /nfs/dbraw/zinc/96/72/59/627967259.db2.gz AMMIEAOHFFGXKI-SCLBCKFNSA-N 1 0 301.434 3.313 20 10 DGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(F)ccc1F ZINC000817938708 627967716 /nfs/dbraw/zinc/96/77/16/627967716.db2.gz QRYXASOMJKFDNM-KZULUSFZSA-N 1 0 319.399 3.381 20 10 DGCDRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817940099 627967915 /nfs/dbraw/zinc/96/79/15/627967915.db2.gz DWVDMLQDCUKJJZ-GOEBONIOSA-N 1 0 305.441 3.219 20 10 DGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1Cl ZINC000817941939 627968614 /nfs/dbraw/zinc/96/86/14/627968614.db2.gz LUNGQRWIAAOAGU-MLGOLLRUSA-N 1 0 318.852 3.152 20 10 DGCDRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817940101 627968701 /nfs/dbraw/zinc/96/87/01/627968701.db2.gz DWVDMLQDCUKJJZ-ZBFHGGJFSA-N 1 0 305.441 3.219 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(O)c1 ZINC000817942253 627968802 /nfs/dbraw/zinc/96/88/02/627968802.db2.gz NNLIYVRTTPJBQP-KDOFPFPSSA-N 1 0 313.445 3.117 20 10 DGCDRO Cc1cc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)oc1C ZINC000817941873 627969019 /nfs/dbraw/zinc/96/90/19/627969019.db2.gz LHYQUQDMFGWJEB-CXAGYDPISA-N 1 0 301.434 3.313 20 10 DGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)cn1 ZINC000817942623 627969430 /nfs/dbraw/zinc/96/94/30/627969430.db2.gz QBMQQAVLEGNQBM-BLLLJJGKSA-N 1 0 318.852 3.152 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCCC23CCCC3)cc1 ZINC000817943311 627969493 /nfs/dbraw/zinc/96/94/93/627969493.db2.gz UGXQBZACARFFNA-ROUUACIJSA-N 1 0 301.478 3.455 20 10 DGCDRO CCC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817942909 627969997 /nfs/dbraw/zinc/96/99/97/627969997.db2.gz RMZKZJRKYOUDFF-MOPGFXCFSA-N 1 0 312.461 3.278 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952635 627972359 /nfs/dbraw/zinc/97/23/59/627972359.db2.gz RYNBLUBQXZHACU-JOYOIKCWSA-N 1 0 303.233 3.492 20 10 DGCDRO CC[C@@H](NCC[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000817953559 627973363 /nfs/dbraw/zinc/97/33/63/627973363.db2.gz OFRPSKMLVVZLMT-CYBMUJFWSA-N 1 0 302.340 3.204 20 10 DGCDRO C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817954828 627973633 /nfs/dbraw/zinc/97/36/33/627973633.db2.gz KVMUXBJIKFOINV-WDEREUQCSA-N 1 0 302.340 3.061 20 10 DGCDRO COc1cccc(C[C@@H]([NH2+]CCc2ccc(N)cc2)C2CC2)c1 ZINC000817956185 627973964 /nfs/dbraw/zinc/97/39/64/627973964.db2.gz STRGHLJEJRLDRC-HXUWFJFHSA-N 1 0 310.441 3.431 20 10 DGCDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817956353 627974036 /nfs/dbraw/zinc/97/40/36/627974036.db2.gz XCYTZWDRKBLCRL-OAHLLOKOSA-N 1 0 311.429 3.127 20 10 DGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000817955769 627974325 /nfs/dbraw/zinc/97/43/25/627974325.db2.gz HJLRMBPCGFNBLY-QGZVFWFLSA-N 1 0 300.377 3.454 20 10 DGCDRO C[C@H](NC[C@@H]([NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965478 627977643 /nfs/dbraw/zinc/97/76/43/627977643.db2.gz RKRBWKBORRVFBD-HNAYVOBHSA-N 1 0 301.478 3.455 20 10 DGCDRO Cc1cc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2O)nn1C ZINC000926910539 627978288 /nfs/dbraw/zinc/97/82/88/627978288.db2.gz LRXZIYUBXUQBKM-AWEZNQCLSA-N 1 0 309.413 3.481 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969235 627978713 /nfs/dbraw/zinc/97/87/13/627978713.db2.gz AAWDAGMUEPNMFB-ZDMBXUJBSA-N 1 0 303.233 3.348 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968521 627978843 /nfs/dbraw/zinc/97/88/43/627978843.db2.gz KUVAJGRSBWXERF-ZJUUUORDSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817969545 627979195 /nfs/dbraw/zinc/97/91/95/627979195.db2.gz WSGMVWNDQCZSCG-MNOVXSKESA-N 1 0 302.340 3.204 20 10 DGCDRO C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817977919 627981353 /nfs/dbraw/zinc/98/13/53/627981353.db2.gz RLCBXDOUIJZAGX-FXQIFTODSA-N 1 0 321.646 3.194 20 10 DGCDRO C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817977954 627981372 /nfs/dbraw/zinc/98/13/72/627981372.db2.gz RZECQHZIVXWATG-BDAKNGLRSA-N 1 0 319.218 3.072 20 10 DGCDRO C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817977932 627981879 /nfs/dbraw/zinc/98/18/79/627981879.db2.gz RSJUTCAHTCRBAE-IUCAKERBSA-N 1 0 319.218 3.072 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817980646 627982776 /nfs/dbraw/zinc/98/27/76/627982776.db2.gz CTVBCHSPQPVSIL-AEJSXWLSSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(F)cc1[O-] ZINC000817983363 627983336 /nfs/dbraw/zinc/98/33/36/627983336.db2.gz ATJQBKSFJTVFNL-JIWOQCETSA-N 1 0 318.436 3.336 20 10 DGCDRO C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817985705 627983740 /nfs/dbraw/zinc/98/37/40/627983740.db2.gz MYGBCFPWVZGRRH-NSHDSACASA-N 1 0 314.351 3.371 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 ZINC000926940817 627985598 /nfs/dbraw/zinc/98/55/98/627985598.db2.gz WORSJIBMCZPWNE-XZKMEQPCSA-N 1 0 300.446 3.384 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(C)cc1O ZINC000927053706 628002898 /nfs/dbraw/zinc/00/28/98/628002898.db2.gz BBJUQZLUADRIMY-ZFZWDLNGSA-N 1 0 305.418 3.424 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c2c1c(F)ccc2O ZINC000927059557 628004803 /nfs/dbraw/zinc/00/48/03/628004803.db2.gz DIBFOXNHKSHOQJ-YGHJJULASA-N 1 0 321.392 3.352 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cc(Cl)ccc1O ZINC000927059452 628004868 /nfs/dbraw/zinc/00/48/68/628004868.db2.gz COSMJDWCSPHAFN-LHAJWOIZSA-N 1 0 311.809 3.379 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(C)o3)C2)cc1 ZINC000818222491 628006514 /nfs/dbraw/zinc/00/65/14/628006514.db2.gz YCVBKTARIMVFQZ-HNNXBMFYSA-N 1 0 300.402 3.213 20 10 DGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819096170 628091063 /nfs/dbraw/zinc/09/10/63/628091063.db2.gz YIPJIADGTKYOGS-DYESRHJHSA-N 1 0 322.452 3.317 20 10 DGCDRO Cc1nnsc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000820851669 628304787 /nfs/dbraw/zinc/30/47/87/628304787.db2.gz PWXZEYWAFBTDGP-UHFFFAOYSA-N 1 0 316.474 3.469 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]3SC)C2)cc1 ZINC000822494442 628457565 /nfs/dbraw/zinc/45/75/65/628457565.db2.gz OTVJNGIIJLHSQL-KBRIMQKVSA-N 1 0 306.475 3.005 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)cc1OC ZINC000822498234 628458099 /nfs/dbraw/zinc/45/80/99/628458099.db2.gz WSXIQGNXQSXWSW-MSOLQXFVSA-N 1 0 317.360 3.136 20 10 DGCDRO CC[N@H+](CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823379560 628554723 /nfs/dbraw/zinc/55/47/23/628554723.db2.gz XBHFUGGVUYBVKH-UHFFFAOYSA-N 1 0 304.459 3.199 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@H]2CSc3ccccc32)c1O ZINC000824482695 628664448 /nfs/dbraw/zinc/66/44/48/628664448.db2.gz CJBXRUIBPLEMDH-CYBMUJFWSA-N 1 0 301.411 3.380 20 10 DGCDRO CCC[C@H](C[NH2+]Cc1cc(Br)cc(C)c1O)OC ZINC000824543835 628668927 /nfs/dbraw/zinc/66/89/27/628668927.db2.gz QJKMTFIBDZJERU-CYBMUJFWSA-N 1 0 316.239 3.368 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnn3c2CCC3)cc1 ZINC000824542170 628669001 /nfs/dbraw/zinc/66/90/01/628669001.db2.gz PKRFUWZBFQKROW-UHFFFAOYSA-N 1 0 312.461 3.308 20 10 DGCDRO Cc1noc([C@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC000824593972 628675303 /nfs/dbraw/zinc/67/53/03/628675303.db2.gz WKPLFHUXICDAEC-LBPRGKRZSA-N 1 0 321.808 3.425 20 10 DGCDRO CS[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000824683846 628683560 /nfs/dbraw/zinc/68/35/60/628683560.db2.gz XKEHJTKLJLDREA-LBPRGKRZSA-N 1 0 316.264 3.400 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000824751452 628689397 /nfs/dbraw/zinc/68/93/97/628689397.db2.gz XJJXLWXLPCDEOP-KBPBESRZSA-N 1 0 305.418 3.401 20 10 DGCDRO COc1cc(C[N@H+](CCCO)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000824802559 628695476 /nfs/dbraw/zinc/69/54/76/628695476.db2.gz NXFRVCFBJKXXSR-UHFFFAOYSA-N 1 0 307.434 3.045 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1O ZINC000824844855 628699191 /nfs/dbraw/zinc/69/91/91/628699191.db2.gz DVHCTGNKAKXHAK-RDJZCZTQSA-N 1 0 309.450 3.170 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c(O)c1 ZINC000824845364 628699369 /nfs/dbraw/zinc/69/93/69/628699369.db2.gz KFDCQLAXCQJSRU-FUHWJXTLSA-N 1 0 309.450 3.170 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1O ZINC000824845835 628699551 /nfs/dbraw/zinc/69/95/51/628699551.db2.gz NJVHYYTVHXADHQ-JKSUJKDBSA-N 1 0 309.837 3.241 20 10 DGCDRO OC[C@H]([C@@H]([NH2+]Cc1ccc2ccccc2c1O)C1CC1)C1CC1 ZINC000824846326 628700135 /nfs/dbraw/zinc/70/01/35/628700135.db2.gz QRPBZQOCSSJMJN-OALUTQOASA-N 1 0 311.425 3.432 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1Cl ZINC000824913259 628705876 /nfs/dbraw/zinc/70/58/76/628705876.db2.gz NBELEVOYHVTXDH-ZFWWWQNUSA-N 1 0 313.850 3.060 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@@H](C)O ZINC000824922236 628707040 /nfs/dbraw/zinc/70/70/40/628707040.db2.gz YJCAYKQJYYWYDK-RDTXWAMCSA-N 1 0 315.413 3.220 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000824940917 628709389 /nfs/dbraw/zinc/70/93/89/628709389.db2.gz FQKSRBFYTKDPEL-WOJBJXKFSA-N 1 0 312.457 3.144 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1OC ZINC000824941590 628709654 /nfs/dbraw/zinc/70/96/54/628709654.db2.gz PVIOLQCYPLBGTG-KSSFIOAISA-N 1 0 303.402 3.030 20 10 DGCDRO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000825005889 628715459 /nfs/dbraw/zinc/71/54/59/628715459.db2.gz UVEYIHFWZQAFQN-JTQLQIEISA-N 1 0 309.797 3.121 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)c1O ZINC000825016326 628716752 /nfs/dbraw/zinc/71/67/52/628716752.db2.gz ATFLSYAIIHGHHT-CABZTGNLSA-N 1 0 307.781 3.046 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1ccccc1O ZINC000825045746 628720524 /nfs/dbraw/zinc/72/05/24/628720524.db2.gz KPLOMUULWROGLE-DHSIGJKJSA-N 1 0 315.417 3.087 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1Cl ZINC000825051262 628721160 /nfs/dbraw/zinc/72/11/60/628721160.db2.gz ZCHRDCARIFWQTP-AWEZNQCLSA-N 1 0 308.809 3.340 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825090459 628726192 /nfs/dbraw/zinc/72/61/92/628726192.db2.gz VXPRHCBOTOPHMC-QGZVFWFLSA-N 1 0 321.804 3.186 20 10 DGCDRO CCOc1cccc(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c1O ZINC000825104257 628728363 /nfs/dbraw/zinc/72/83/63/628728363.db2.gz SCXGJLZVQBKGLU-HZPDHXFCSA-N 1 0 305.418 3.180 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)cc1C ZINC000825123720 628730440 /nfs/dbraw/zinc/73/04/40/628730440.db2.gz BZTZQDVMCBJVDQ-KRWDZBQOSA-N 1 0 322.412 3.043 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c1O ZINC000825124121 628730499 /nfs/dbraw/zinc/73/04/99/628730499.db2.gz IDAVGEQPVLJLOL-NSHDSACASA-N 1 0 321.804 3.481 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1O ZINC000825133511 628731332 /nfs/dbraw/zinc/73/13/32/628731332.db2.gz IEPVKHHQHLYBPM-INIZCTEOSA-N 1 0 311.809 3.057 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000825182862 628735471 /nfs/dbraw/zinc/73/54/71/628735471.db2.gz CSXCMHXEVDCHRJ-CQSZACIVSA-N 1 0 306.425 3.331 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc1Cl ZINC000825291207 628747130 /nfs/dbraw/zinc/74/71/30/628747130.db2.gz GWAWQMLQHPYYTE-INIZCTEOSA-N 1 0 324.852 3.091 20 10 DGCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825316753 628748483 /nfs/dbraw/zinc/74/84/83/628748483.db2.gz ZQAPNCROBKURKM-MFKMUULPSA-N 1 0 316.239 3.041 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@]2(CO)CCc3ccccc32)cc1Cl ZINC000825374582 628755005 /nfs/dbraw/zinc/75/50/05/628755005.db2.gz CJLBYJLHPCPYPP-SFHVURJKSA-N 1 0 317.816 3.278 20 10 DGCDRO COc1cc(C[NH+]2CC([C@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000825737655 628792766 /nfs/dbraw/zinc/79/27/66/628792766.db2.gz CKWGKGARSJXQOB-ZDUSSCGKSA-N 1 0 319.445 3.167 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CCO)Cc2ccccc2)cc1Cl ZINC000825773481 628796570 /nfs/dbraw/zinc/79/65/70/628796570.db2.gz IEWVQCAXGOTOEN-INIZCTEOSA-N 1 0 319.832 3.437 20 10 DGCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825892676 628808039 /nfs/dbraw/zinc/80/80/39/628808039.db2.gz GQLPDJBXKRSSQQ-AWEZNQCLSA-N 1 0 324.852 3.235 20 10 DGCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)c1 ZINC000825955727 628814498 /nfs/dbraw/zinc/81/44/98/628814498.db2.gz PVIBZEQVOUHBIO-CQSZACIVSA-N 1 0 305.809 3.306 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)c2nccn21 ZINC000826084167 628826487 /nfs/dbraw/zinc/82/64/87/628826487.db2.gz WMJUIHHGCBJWQV-CABZTGNLSA-N 1 0 322.206 3.147 20 10 DGCDRO Cc1cc(O)c(C[N@H+](CCO)C2CCSCC2)cc1Cl ZINC000826097193 628827791 /nfs/dbraw/zinc/82/77/91/628827791.db2.gz SZIYQQAZIZJWIA-UHFFFAOYSA-N 1 0 315.866 3.044 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c1O ZINC000826791651 628887891 /nfs/dbraw/zinc/88/78/91/628887891.db2.gz YWFUCXVGKMOPJN-ZDUSSCGKSA-N 1 0 312.841 3.017 20 10 DGCDRO C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000827007869 628912229 /nfs/dbraw/zinc/91/22/29/628912229.db2.gz FLGLEKNOUHAGFO-HNNXBMFYSA-N 1 0 323.440 3.237 20 10 DGCDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc2ccccc2c1O ZINC000827251657 628941628 /nfs/dbraw/zinc/94/16/28/628941628.db2.gz KCPYCUKWHJGYLJ-UHFFFAOYSA-N 1 0 307.397 3.446 20 10 DGCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000827500945 628964616 /nfs/dbraw/zinc/96/46/16/628964616.db2.gz OOHSBQPZEYXRKG-WOVMCDHWSA-N 1 0 311.381 3.100 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1O ZINC000827515448 628966877 /nfs/dbraw/zinc/96/68/77/628966877.db2.gz HVBYKTYMDAICIW-LLVKDONJSA-N 1 0 305.752 3.435 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1 ZINC000827544511 628969453 /nfs/dbraw/zinc/96/94/53/628969453.db2.gz CSKUFFIHHSMPOE-QGZVFWFLSA-N 1 0 312.413 3.112 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)cc1F ZINC000827698652 628984013 /nfs/dbraw/zinc/98/40/13/628984013.db2.gz AEJABOGYEVTOMX-KDOFPFPSSA-N 1 0 308.441 3.122 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]1(C)CO ZINC000827700877 628984026 /nfs/dbraw/zinc/98/40/26/628984026.db2.gz YPRWVDPRDQMREG-LPHOPBHVSA-N 1 0 302.462 3.127 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000827750163 628988157 /nfs/dbraw/zinc/98/81/57/628988157.db2.gz AILGYSJMHCWSNC-HOCLYGCPSA-N 1 0 311.809 3.257 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(OCC)cc1O ZINC000827750528 628988250 /nfs/dbraw/zinc/98/82/50/628988250.db2.gz IPDSLTVUSLSLKQ-SJLPKXTDSA-N 1 0 321.417 3.002 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)Cn2cccn2)ccc1N1CCCCC1 ZINC000827752131 628988434 /nfs/dbraw/zinc/98/84/34/628988434.db2.gz KUJYIGCFXSGXQM-KRWDZBQOSA-N 1 0 312.461 3.360 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c1O ZINC000827941542 629006092 /nfs/dbraw/zinc/00/60/92/629006092.db2.gz GGPCEWYLFIXHSZ-GOSISDBHSA-N 1 0 312.413 3.089 20 10 DGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCOCCF ZINC000827948045 629006677 /nfs/dbraw/zinc/00/66/77/629006677.db2.gz FSOLFRQBSNGIBL-UHFFFAOYSA-N 1 0 319.376 3.047 20 10 DGCDRO C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000827969693 629009965 /nfs/dbraw/zinc/00/99/65/629009965.db2.gz QQYCXIUKJLXUJH-HNNXBMFYSA-N 1 0 324.424 3.018 20 10 DGCDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000827978049 629010466 /nfs/dbraw/zinc/01/04/66/629010466.db2.gz HOIWEQGDROQGHU-YJBOKZPZSA-N 1 0 324.424 3.234 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)ccc1N1CCCCC1 ZINC000829121347 629132774 /nfs/dbraw/zinc/13/27/74/629132774.db2.gz TXUSSRIJHDCEDQ-BEFAXECRSA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](CO)C(C)(C)C)ccc1N1CCCCC1 ZINC000829244007 629143946 /nfs/dbraw/zinc/14/39/46/629143946.db2.gz NVSRBBULORRHHN-SFHVURJKSA-N 1 0 304.478 3.482 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C12CCC2 ZINC000831307551 629360240 /nfs/dbraw/zinc/36/02/40/629360240.db2.gz CMIORVPUOCLQNW-HZPDHXFCSA-N 1 0 321.392 3.171 20 10 DGCDRO CCCCCC(C)(C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267281 629457749 /nfs/dbraw/zinc/45/77/49/629457749.db2.gz PKGYKHKOPLCLGI-KRWDZBQOSA-N 1 0 319.493 3.475 20 10 DGCDRO CCCC[C@H](CC)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272531 629457807 /nfs/dbraw/zinc/45/78/07/629457807.db2.gz GLYNJLLAEIZMKY-YJBOKZPZSA-N 1 0 319.493 3.475 20 10 DGCDRO CCCC[C@H](CC)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272527 629457825 /nfs/dbraw/zinc/45/78/25/629457825.db2.gz GLYNJLLAEIZMKY-MAUKXSAKSA-N 1 0 319.493 3.475 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)CC[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000834453030 629713239 /nfs/dbraw/zinc/71/32/39/629713239.db2.gz MWUPECFVLPFTNR-LLVKDONJSA-N 1 0 319.836 3.215 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCN1CCc3ccccc3C1)CC2 ZINC000834496409 629717689 /nfs/dbraw/zinc/71/76/89/629717689.db2.gz HMSLHTDFYAVWPU-GOSISDBHSA-N 1 0 308.425 3.027 20 10 DGCDRO CCOC(=O)N[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CC(C)C ZINC000834501999 629718388 /nfs/dbraw/zinc/71/83/88/629718388.db2.gz LRVDSDWYFJKDIA-HUUCEWRRSA-N 1 0 320.433 3.130 20 10 DGCDRO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000834513651 629719885 /nfs/dbraw/zinc/71/98/85/629719885.db2.gz NTTBRTYLUKLJRN-QGZVFWFLSA-N 1 0 324.424 3.309 20 10 DGCDRO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cn1 ZINC000834523463 629720154 /nfs/dbraw/zinc/72/01/54/629720154.db2.gz UQKCVOUYCXXSTE-INIZCTEOSA-N 1 0 320.396 3.058 20 10 DGCDRO O=C1[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCCN1c1ccccc1 ZINC000834585110 629735196 /nfs/dbraw/zinc/73/51/96/629735196.db2.gz GCTHWKKNVCXXMM-IRXDYDNUSA-N 1 0 322.408 3.165 20 10 DGCDRO COc1ccc(O[C@@H](C)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000834606213 629738820 /nfs/dbraw/zinc/73/88/20/629738820.db2.gz GGJZAUQNXZPYRR-GUYCJALGSA-N 1 0 313.397 3.445 20 10 DGCDRO O=C(CC1CCCCC1)NCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834645783 629746787 /nfs/dbraw/zinc/74/67/87/629746787.db2.gz MDKUFSRGXVMWKP-MRXNPFEDSA-N 1 0 316.445 3.056 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(-n2ccnn2)cc1 ZINC000834694167 629759158 /nfs/dbraw/zinc/75/91/58/629759158.db2.gz UWEFRJLHFYNUPF-DYVFJYSZSA-N 1 0 320.396 3.311 20 10 DGCDRO C[NH+]1CCN(c2ccc(N[C@@H]3CCc4cccc(O)c43)cc2)CC1 ZINC000834740873 629771607 /nfs/dbraw/zinc/77/16/07/629771607.db2.gz ABWXREJQOKOMNM-GOSISDBHSA-N 1 0 323.440 3.243 20 10 DGCDRO OC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000834802979 629782184 /nfs/dbraw/zinc/78/21/84/629782184.db2.gz HPUAYENINLTAJJ-GDBMZVCRSA-N 1 0 317.816 3.399 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1OC)c1cc(Cl)ccc1O ZINC000834880522 629796218 /nfs/dbraw/zinc/79/62/18/629796218.db2.gz IZQFNRMSBGQLOM-HZUKXOBISA-N 1 0 313.825 3.138 20 10 DGCDRO COCC(COC)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834891664 629799467 /nfs/dbraw/zinc/79/94/67/629799467.db2.gz PUCVHBJUZMUOIZ-INIZCTEOSA-N 1 0 320.477 3.379 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC000834899401 629802119 /nfs/dbraw/zinc/80/21/19/629802119.db2.gz PRFQABIWEDXVNR-SUNYJGFJSA-N 1 0 315.417 3.005 20 10 DGCDRO CC[C@@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1ccc(C)cc1O ZINC000834903262 629803801 /nfs/dbraw/zinc/80/38/01/629803801.db2.gz GXYWCABVLQOHCZ-CQSZACIVSA-N 1 0 323.400 3.122 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000834906425 629805133 /nfs/dbraw/zinc/80/51/33/629805133.db2.gz QPBHQLGDMGEDKQ-HNAYVOBHSA-N 1 0 302.462 3.489 20 10 DGCDRO COc1cccnc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834907235 629805958 /nfs/dbraw/zinc/80/59/58/629805958.db2.gz ZEGVESPXNOMAIY-PWSUYJOCSA-N 1 0 302.349 3.273 20 10 DGCDRO C[C@@H]1C[C@@H]([N@H+](C)C/C=C/c2ccc(N(C)C)cc2)CCN1C ZINC000835026369 629827407 /nfs/dbraw/zinc/82/74/07/629827407.db2.gz RYKOAQRJASQUJP-NHBNWDHASA-N 1 0 301.478 3.180 20 10 DGCDRO CC(C)C[NH+]1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835025752 629827583 /nfs/dbraw/zinc/82/75/83/629827583.db2.gz MUKIKMBKZGBVDB-AATRIKPKSA-N 1 0 301.478 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000835026120 629827925 /nfs/dbraw/zinc/82/79/25/629827925.db2.gz QALLTNPEDYRDFJ-MAVJXHJTSA-N 1 0 310.445 3.369 20 10 DGCDRO CC(C)C[NH+]1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835025753 629828346 /nfs/dbraw/zinc/82/83/46/629828346.db2.gz MUKIKMBKZGBVDB-WAYWQWQTSA-N 1 0 301.478 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1 ZINC000835029272 629828951 /nfs/dbraw/zinc/82/89/51/629828951.db2.gz RXHBFOBPOQSIPW-XDXAGZTOSA-N 1 0 324.472 3.064 20 10 DGCDRO COC(=O)CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835030314 629829966 /nfs/dbraw/zinc/82/99/66/629829966.db2.gz WXQTURQQGYTOBN-SREVYHEPSA-N 1 0 304.434 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000835039292 629830963 /nfs/dbraw/zinc/83/09/63/629830963.db2.gz CSTKMNLJKUCLGC-PXDRNWIDSA-N 1 0 310.441 3.479 20 10 DGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041782 629833195 /nfs/dbraw/zinc/83/31/95/629833195.db2.gz NSGNQAIDIDDTSX-JTHGQSKGSA-N 1 0 304.478 3.399 20 10 DGCDRO CC(C)[C@@H]1C[N@H+](C)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835045562 629834626 /nfs/dbraw/zinc/83/46/26/629834626.db2.gz WKDMWQGBZXBQDL-GHOSXJJBSA-N 1 0 301.478 3.038 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@H](O)c2ccccc2)cc1 ZINC000835052456 629836892 /nfs/dbraw/zinc/83/68/92/629836892.db2.gz CDPRUZRXGTWUPJ-YJJPMGAVSA-N 1 0 310.441 3.479 20 10 DGCDRO C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H](C2CC2)O1 ZINC000835055026 629838415 /nfs/dbraw/zinc/83/84/15/629838415.db2.gz UZKGNEMOGQIEJA-DAFSOKFYSA-N 1 0 300.446 3.265 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000835054655 629838489 /nfs/dbraw/zinc/83/84/89/629838489.db2.gz LZCBAWLLDHLVDS-DUMMIQTOSA-N 1 0 302.462 3.249 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)c1O ZINC000835059014 629839780 /nfs/dbraw/zinc/83/97/80/629839780.db2.gz FAKYXSRMUWQCSK-NSHDSACASA-N 1 0 313.825 3.349 20 10 DGCDRO CCC1C[NH+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000835075220 629844447 /nfs/dbraw/zinc/84/44/47/629844447.db2.gz QKVQGTJPFFYHCV-UHFFFAOYSA-N 1 0 300.196 3.005 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccoc1 ZINC000840761415 630356549 /nfs/dbraw/zinc/35/65/49/630356549.db2.gz WOURSINOAPCNOT-GFCCVEGCSA-N 1 0 322.355 3.245 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1ccn(C)n1 ZINC000840817465 630362265 /nfs/dbraw/zinc/36/22/65/630362265.db2.gz TXABJUNBEIZNFE-NXEZZACHSA-N 1 0 324.222 3.300 20 10 DGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000840822735 630362835 /nfs/dbraw/zinc/36/28/35/630362835.db2.gz VFTBAPHSEYATML-BHYNMZESSA-N 1 0 314.223 3.373 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC000840875230 630370160 /nfs/dbraw/zinc/37/01/60/630370160.db2.gz KJYZUBHKDQPSOL-KRWDZBQOSA-N 1 0 321.804 3.186 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000840893571 630373835 /nfs/dbraw/zinc/37/38/35/630373835.db2.gz LSIXVXPUXLNSJB-KBXCAEBGSA-N 1 0 312.461 3.382 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000840892591 630373851 /nfs/dbraw/zinc/37/38/51/630373851.db2.gz BKOGXSSGPWBYGV-DAYGRLMNSA-N 1 0 312.461 3.484 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccsc2)c(Cl)c1 ZINC000840898771 630374214 /nfs/dbraw/zinc/37/42/14/630374214.db2.gz GDESGTOZKFLBHW-HNNXBMFYSA-N 1 0 311.834 3.413 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3ccccn3)C2)c(Cl)c1 ZINC000840905706 630375813 /nfs/dbraw/zinc/37/58/13/630375813.db2.gz BWIMTJCSBRFPEY-ZDUSSCGKSA-N 1 0 317.820 3.118 20 10 DGCDRO Cc1nc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2C)no1 ZINC000840912040 630376192 /nfs/dbraw/zinc/37/61/92/630376192.db2.gz YXLYOJQYQJGMLY-QGZVFWFLSA-N 1 0 314.433 3.480 20 10 DGCDRO Cc1noc(C2CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)n1 ZINC000840910805 630376566 /nfs/dbraw/zinc/37/65/66/630376566.db2.gz MHKWWFLYGPQGBP-UHFFFAOYSA-N 1 0 314.433 3.132 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000840918460 630377799 /nfs/dbraw/zinc/37/77/99/630377799.db2.gz UERDQYVQJYIWSG-UHFFFAOYSA-N 1 0 318.461 3.036 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000840934168 630379899 /nfs/dbraw/zinc/37/98/99/630379899.db2.gz MZTSFCUIXLPWFS-QGZVFWFLSA-N 1 0 320.383 3.162 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cn2c(cccc2C)n1 ZINC000840932704 630380042 /nfs/dbraw/zinc/38/00/42/630380042.db2.gz STBHCFHKZXMZQO-UHFFFAOYSA-N 1 0 308.429 3.307 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000840935742 630380800 /nfs/dbraw/zinc/38/08/00/630380800.db2.gz CBMYODPSZUAXFO-LJQANCHMSA-N 1 0 316.420 3.197 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000840946432 630382130 /nfs/dbraw/zinc/38/21/30/630382130.db2.gz JYFFPOVEGQOAJZ-SFTDATJTSA-N 1 0 324.468 3.317 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000840954197 630384281 /nfs/dbraw/zinc/38/42/81/630384281.db2.gz ALNJCQMVGGCJSD-ICSRJNTNSA-N 1 0 314.473 3.439 20 10 DGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000840956306 630385428 /nfs/dbraw/zinc/38/54/28/630385428.db2.gz MZDRRYOQHOLTIV-DLBZAZTESA-N 1 0 313.397 3.099 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)ccc1OC ZINC000840962482 630387214 /nfs/dbraw/zinc/38/72/14/630387214.db2.gz DKKBTNRMXMUINI-FMKPAKJESA-N 1 0 307.434 3.135 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1 ZINC000840968643 630388411 /nfs/dbraw/zinc/38/84/11/630388411.db2.gz BQSHARDXCXWCJP-SFHVURJKSA-N 1 0 319.445 3.428 20 10 DGCDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000840973544 630389690 /nfs/dbraw/zinc/38/96/90/630389690.db2.gz OZKVVOGSACHKHW-RDJZCZTQSA-N 1 0 313.397 3.303 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000840978681 630390045 /nfs/dbraw/zinc/39/00/45/630390045.db2.gz RCBFVAJDPWTNCE-SFHVURJKSA-N 1 0 300.446 3.145 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000840977116 630390442 /nfs/dbraw/zinc/39/04/42/630390442.db2.gz RLTXBCBKHSCITD-OAHLLOKOSA-N 1 0 324.472 3.449 20 10 DGCDRO COc1ccc(CC[C@H](C)[NH2+]CCc2ccc(N)cc2)cc1O ZINC000841037967 630399899 /nfs/dbraw/zinc/39/98/99/630399899.db2.gz DVNCEVFEROLNAT-AWEZNQCLSA-N 1 0 314.429 3.136 20 10 DGCDRO Nc1ccc(CC[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000841037134 630399917 /nfs/dbraw/zinc/39/99/17/630399917.db2.gz SQEINRPKVKOUOC-UHFFFAOYSA-N 1 0 310.319 3.500 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CN)C2CCCCC2)c1O ZINC000841039251 630400472 /nfs/dbraw/zinc/40/04/72/630400472.db2.gz HDUDMZCUYDKKSB-AWEZNQCLSA-N 1 0 312.841 3.051 20 10 DGCDRO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044065 630401301 /nfs/dbraw/zinc/40/13/01/630401301.db2.gz USOXDEZPXIABLY-AUUYWEPGSA-N 1 0 315.436 3.112 20 10 DGCDRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044066 630401338 /nfs/dbraw/zinc/40/13/38/630401338.db2.gz USOXDEZPXIABLY-IFXJQAMLSA-N 1 0 315.436 3.112 20 10 DGCDRO COc1ccc(O)c(CN2C[C@H](C)[NH2+]Cc3ccc(F)cc32)c1 ZINC000841047334 630401919 /nfs/dbraw/zinc/40/19/19/630401919.db2.gz NGMSJHSLYGUULX-LBPRGKRZSA-N 1 0 316.376 3.038 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C/C=C\c2ccc(F)cc2)cc1 ZINC000841046056 630401964 /nfs/dbraw/zinc/40/19/64/630401964.db2.gz VJYDAJFRUILBEW-ZRHASKPBSA-N 1 0 313.420 3.195 20 10 DGCDRO [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000841081840 630405467 /nfs/dbraw/zinc/40/54/67/630405467.db2.gz FPFGAXWMDBJTMX-XYPYZODXSA-N 1 0 300.805 3.039 20 10 DGCDRO [NH3+]Cc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000841303699 630425483 /nfs/dbraw/zinc/42/54/83/630425483.db2.gz FFVGVZGPJYRSPN-UHFFFAOYSA-N 1 0 324.428 3.067 20 10 DGCDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841301507 630425636 /nfs/dbraw/zinc/42/56/36/630425636.db2.gz RKMXPRCEQNPRMP-UHFFFAOYSA-N 1 0 318.465 3.245 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(Cl)cc1O ZINC000841756228 630462302 /nfs/dbraw/zinc/46/23/02/630462302.db2.gz WCILOQGULPEAJA-XHDPSFHLSA-N 1 0 314.882 3.134 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)cc1 ZINC000841764935 630463289 /nfs/dbraw/zinc/46/32/89/630463289.db2.gz JWLVAZMFYYFSLG-HIFRSBDPSA-N 1 0 311.420 3.133 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(N(C)C)cc1 ZINC000841771612 630463847 /nfs/dbraw/zinc/46/38/47/630463847.db2.gz ZWXOSPWMFZDJGI-GOEBONIOSA-N 1 0 311.420 3.133 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(OC3CCC3)CC2)cc1F ZINC000841888093 630473081 /nfs/dbraw/zinc/47/30/81/630473081.db2.gz DQETZDUAEKVVRS-UHFFFAOYSA-N 1 0 306.425 3.425 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1O ZINC000842612572 630553401 /nfs/dbraw/zinc/55/34/01/630553401.db2.gz JVFAPCDLSDNEMI-ZBFHGGJFSA-N 1 0 305.418 3.100 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1O ZINC000842612570 630553516 /nfs/dbraw/zinc/55/35/16/630553516.db2.gz JVFAPCDLSDNEMI-GOEBONIOSA-N 1 0 305.418 3.100 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)CCC2 ZINC000842612834 630553638 /nfs/dbraw/zinc/55/36/38/630553638.db2.gz OVULVKMNZXYWKX-WMZOPIPTSA-N 1 0 301.430 3.272 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1O ZINC000842612571 630553716 /nfs/dbraw/zinc/55/37/16/630553716.db2.gz JVFAPCDLSDNEMI-HOCLYGCPSA-N 1 0 305.418 3.100 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000842620158 630554118 /nfs/dbraw/zinc/55/41/18/630554118.db2.gz ZNRNMBXZFRIOEO-MAUKXSAKSA-N 1 0 312.413 3.331 20 10 DGCDRO C[N@H+](Cc1c(O)ccc2ccncc21)C[C@](C)(O)c1ccccc1 ZINC000842622407 630555360 /nfs/dbraw/zinc/55/53/60/630555360.db2.gz AWCFAVREYLOIQC-FQEVSTJZSA-N 1 0 322.408 3.280 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000842780031 630575220 /nfs/dbraw/zinc/57/52/20/630575220.db2.gz WNWHLPKBIXDRAK-BFYDXBDKSA-N 1 0 300.446 3.442 20 10 DGCDRO C[C@H]([NH2+][C@@H](CCO)c1ccccc1F)c1cc(F)ccc1O ZINC000842922353 630593573 /nfs/dbraw/zinc/59/35/73/630593573.db2.gz BNFVLKKGPBWXOO-ZBEGNZNMSA-N 1 0 307.340 3.445 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000843044010 630607608 /nfs/dbraw/zinc/60/76/08/630607608.db2.gz FYGKEOANWVZRNV-DTRRYIFCSA-N 1 0 313.489 3.230 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843044712 630607860 /nfs/dbraw/zinc/60/78/60/630607860.db2.gz GDAGPYUWYFPJNK-HNNXBMFYSA-N 1 0 312.816 3.149 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cnn(-c2ccccc2)c1 ZINC000843057207 630609620 /nfs/dbraw/zinc/60/96/20/630609620.db2.gz HIVPTGDSNFLNDK-UHFFFAOYSA-N 1 0 318.424 3.284 20 10 DGCDRO CC(C)CC1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCC1 ZINC000843296626 630643147 /nfs/dbraw/zinc/64/31/47/630643147.db2.gz BNHGPCSFWOBRDC-KRWDZBQOSA-N 1 0 317.477 3.085 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1noc(-c2ccccc2)n1 ZINC000843349703 630648977 /nfs/dbraw/zinc/64/89/77/630648977.db2.gz JGABUTHWRTZVQM-UHFFFAOYSA-N 1 0 320.396 3.148 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CO1 ZINC000843432179 630658056 /nfs/dbraw/zinc/65/80/56/630658056.db2.gz IRVGHLPEKCGYSC-YOEHRIQHSA-N 1 0 313.397 3.238 20 10 DGCDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(N(C)C)c(F)c1)CCOCC2 ZINC000843431541 630658128 /nfs/dbraw/zinc/65/81/28/630658128.db2.gz GXTDZPNTSKJQHY-AWEZNQCLSA-N 1 0 306.425 3.283 20 10 DGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c(O)c1 ZINC000843435919 630658939 /nfs/dbraw/zinc/65/89/39/630658939.db2.gz ZQWYVIHWQJUWJK-CQSZACIVSA-N 1 0 305.418 3.324 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000843488442 630662236 /nfs/dbraw/zinc/66/22/36/630662236.db2.gz ZTNCHNNXCZCEFZ-PKOBYXMFSA-N 1 0 317.477 3.009 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CCC(C)(C)CC2)cc1 ZINC000844163302 630711313 /nfs/dbraw/zinc/71/13/13/630711313.db2.gz YHRKZBUIFGHMAJ-QGZVFWFLSA-N 1 0 317.477 3.085 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CNc3ccccc3C2)c1O ZINC000844904849 630973124 /nfs/dbraw/zinc/97/31/24/630973124.db2.gz CYJNRIZPPCPTAQ-AWEZNQCLSA-N 1 0 318.804 3.181 20 10 DGCDRO C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000844920178 630983035 /nfs/dbraw/zinc/98/30/35/630983035.db2.gz KPWAAIONRAAGPY-VIFPVBQESA-N 1 0 303.233 3.479 20 10 DGCDRO COc1cc(OC)c(C[NH2+]Cc2ccc3c(c2)CCO3)cc1F ZINC000845929273 631202568 /nfs/dbraw/zinc/20/25/68/631202568.db2.gz KWUCBJFQSCVORH-UHFFFAOYSA-N 1 0 317.360 3.068 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C(C)C)nc2C)c1 ZINC000845972674 631204317 /nfs/dbraw/zinc/20/43/17/631204317.db2.gz SKHWQVYDCBMCBY-ZDUSSCGKSA-N 1 0 303.406 3.337 20 10 DGCDRO COc1ccc(C2CC[NH+](Cc3cccc(C)c3O)CC2)nc1 ZINC000845997848 631205262 /nfs/dbraw/zinc/20/52/62/631205262.db2.gz HUIDOGMAXIEZQD-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c1O ZINC000846034703 631207283 /nfs/dbraw/zinc/20/72/83/631207283.db2.gz BMZPQCRJGIPVOV-LIRRHRJNSA-N 1 0 315.413 3.177 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c(O)c1 ZINC000846042692 631207693 /nfs/dbraw/zinc/20/76/93/631207693.db2.gz NPKRUABXOSDDFC-SFHVURJKSA-N 1 0 305.418 3.086 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1F ZINC000846043335 631207885 /nfs/dbraw/zinc/20/78/85/631207885.db2.gz XMEBSNRDKRYQEG-SFHVURJKSA-N 1 0 306.425 3.187 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)N2CCCCC2)c1O ZINC000846136046 631211459 /nfs/dbraw/zinc/21/14/59/631211459.db2.gz GRZVIOGFOKDTOI-AWEZNQCLSA-N 1 0 306.450 3.316 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c1O ZINC000846138624 631211482 /nfs/dbraw/zinc/21/14/82/631211482.db2.gz LSQXLWMMBXQIPX-GOEBONIOSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCN2CCc3ccccc32)c1O ZINC000846140962 631211501 /nfs/dbraw/zinc/21/15/01/631211501.db2.gz BNUHRDWVBICSMZ-AWEZNQCLSA-N 1 0 312.413 3.114 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c1O ZINC000846142798 631211643 /nfs/dbraw/zinc/21/16/43/631211643.db2.gz CKMPCGJIFYHTHX-PRXAMGSTSA-N 1 0 319.376 3.313 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1O ZINC000846142605 631211671 /nfs/dbraw/zinc/21/16/71/631211671.db2.gz BAHWJDHAXNBAMR-BZNIZROVSA-N 1 0 307.415 3.021 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1O ZINC000846142435 631211682 /nfs/dbraw/zinc/21/16/82/631211682.db2.gz TWARYYXRBYMPFK-ZJUUUORDSA-N 1 0 307.312 3.019 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c1O ZINC000846143435 631211765 /nfs/dbraw/zinc/21/17/65/631211765.db2.gz BTNFWBKSJXKJCA-NEPJUHHUSA-N 1 0 317.433 3.033 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)noc2C)c1O ZINC000846148400 631212260 /nfs/dbraw/zinc/21/22/60/631212260.db2.gz YSTLKMXTLIOAQE-WDEREUQCSA-N 1 0 304.390 3.287 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1O ZINC000846165003 631212942 /nfs/dbraw/zinc/21/29/42/631212942.db2.gz KASKISLKKWKYAA-UKRRQHHQSA-N 1 0 317.433 3.225 20 10 DGCDRO COCC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccco1 ZINC000846166495 631213209 /nfs/dbraw/zinc/21/32/09/631213209.db2.gz XWJFIUSIAHFIQQ-OCCSQVGLSA-N 1 0 305.374 3.422 20 10 DGCDRO COCC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccco1 ZINC000846166496 631213315 /nfs/dbraw/zinc/21/33/15/631213315.db2.gz XWJFIUSIAHFIQQ-TZMCWYRMSA-N 1 0 305.374 3.422 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c1O ZINC000846171728 631213445 /nfs/dbraw/zinc/21/34/45/631213445.db2.gz VXGPXIZRQJQSBK-HIFRSBDPSA-N 1 0 307.434 3.240 20 10 DGCDRO CCCC(CCC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000846663237 631281351 /nfs/dbraw/zinc/28/13/51/631281351.db2.gz GDUSRUZSEDBHCC-QGZVFWFLSA-N 1 0 305.466 3.085 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCc2cncn2C)cc1 ZINC000846766593 631299350 /nfs/dbraw/zinc/29/93/50/631299350.db2.gz UCLCPUCZXHCZHX-UHFFFAOYSA-N 1 0 314.477 3.331 20 10 DGCDRO Cc1cc(C[N@@H+](C[C@@H](C)O)C2CC2)ccc1N1CCCCC1 ZINC000847095430 631403333 /nfs/dbraw/zinc/40/33/33/631403333.db2.gz BREQELQIYSPKEJ-MRXNPFEDSA-N 1 0 302.462 3.331 20 10 DGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC(C)C)c1O ZINC000848515259 631672797 /nfs/dbraw/zinc/67/27/97/631672797.db2.gz WWFKCYZCENFNEG-VIFPVBQESA-N 1 0 302.212 3.470 20 10 DGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2CC2)c1O ZINC000848518743 631674658 /nfs/dbraw/zinc/67/46/58/631674658.db2.gz NKWRACAAELORIH-MRVPVSSYSA-N 1 0 300.196 3.224 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000848560852 631692801 /nfs/dbraw/zinc/69/28/01/631692801.db2.gz RMRSKXWFGCPHAX-ZWKOTPCHSA-N 1 0 305.418 3.228 20 10 DGCDRO COCC1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000848561223 631693732 /nfs/dbraw/zinc/69/37/32/631693732.db2.gz REGAFOFZRFMSSH-SNVBAGLBSA-N 1 0 314.223 3.232 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3ccccc3NC2=O)cc1C ZINC000848561576 631694113 /nfs/dbraw/zinc/69/41/13/631694113.db2.gz ZIMNIBGXOSDSEO-KRWDZBQOSA-N 1 0 310.397 3.047 20 10 DGCDRO COc1cccc(C[NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000848566350 631695944 /nfs/dbraw/zinc/69/59/44/631695944.db2.gz VSRYRNFEHHESKQ-AWEZNQCLSA-N 1 0 323.433 3.104 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)Cc2ccccn2)ccc1OC ZINC000848566955 631695972 /nfs/dbraw/zinc/69/59/72/631695972.db2.gz MWCGDYKQEGMWBH-HNNXBMFYSA-N 1 0 314.429 3.348 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000848574129 631699869 /nfs/dbraw/zinc/69/98/69/631699869.db2.gz AAJHLSQTOZKVGQ-RSECOTNCSA-N 1 0 313.489 3.372 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c(O)c1 ZINC000848576287 631701433 /nfs/dbraw/zinc/70/14/33/631701433.db2.gz LWZSMGIFUPIOHB-MRXNPFEDSA-N 1 0 305.418 3.372 20 10 DGCDRO CCc1cccc(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)OC)c1O ZINC000848891373 631775009 /nfs/dbraw/zinc/77/50/09/631775009.db2.gz QDJQIBSPAQXUCW-MAUKXSAKSA-N 1 0 305.418 3.166 20 10 DGCDRO CCc1cccc(C[NH2+]CCCc2nc(C(C)C)no2)c1O ZINC000848894359 631775597 /nfs/dbraw/zinc/77/55/97/631775597.db2.gz DKHRZRWAHAJVOE-UHFFFAOYSA-N 1 0 303.406 3.183 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccccc2Cn2ccnc2)c1O ZINC000848893005 631775807 /nfs/dbraw/zinc/77/58/07/631775807.db2.gz MVJQFOCCEXZWIO-UHFFFAOYSA-N 1 0 321.424 3.489 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2cccc(OC)c2OC)c1O ZINC000848895782 631776834 /nfs/dbraw/zinc/77/68/34/631776834.db2.gz XSWNKBZOHBCQPF-UHFFFAOYSA-N 1 0 315.413 3.304 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1O ZINC000848897615 631777715 /nfs/dbraw/zinc/77/77/15/631777715.db2.gz KJHHVKLWGVVDEO-SFHVURJKSA-N 1 0 303.402 3.162 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](CCOC)Cc2ccco2)c1O ZINC000848903017 631779746 /nfs/dbraw/zinc/77/97/46/631779746.db2.gz WYHYJWFAQJEMNJ-MRXNPFEDSA-N 1 0 303.402 3.285 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c1O ZINC000848900969 631779890 /nfs/dbraw/zinc/77/98/90/631779890.db2.gz SKWIPPNAVFIJEZ-CQSZACIVSA-N 1 0 322.412 3.386 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000848907024 631782246 /nfs/dbraw/zinc/78/22/46/631782246.db2.gz GLLITNPLFQMZNB-ZFWWWQNUSA-N 1 0 317.351 3.090 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000848912375 631784297 /nfs/dbraw/zinc/78/42/97/631784297.db2.gz PYAMZUHHGCTXMA-INIZCTEOSA-N 1 0 319.832 3.474 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccnc(OC(F)F)c2)c1O ZINC000848911700 631784372 /nfs/dbraw/zinc/78/43/72/631784372.db2.gz YEBPYIVSOLUKBM-UHFFFAOYSA-N 1 0 308.328 3.241 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000848915836 631785202 /nfs/dbraw/zinc/78/52/02/631785202.db2.gz MKJKXHXPXCVEFO-RCCFBDPRSA-N 1 0 303.446 3.470 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c1O ZINC000848919454 631786629 /nfs/dbraw/zinc/78/66/29/631786629.db2.gz LKUVVYFOLFYVAV-GOSISDBHSA-N 1 0 303.446 3.398 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)c1O ZINC000848917200 631786825 /nfs/dbraw/zinc/78/68/25/631786825.db2.gz CRYNNVBYVAUBJY-UHFFFAOYSA-N 1 0 317.351 3.498 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2ccccc2NC1=O ZINC000848922094 631788579 /nfs/dbraw/zinc/78/85/79/631788579.db2.gz LYJMTGAWYCAWMQ-LJQANCHMSA-N 1 0 323.440 3.104 20 10 DGCDRO CCN(CC)c1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)cc1 ZINC000849072483 631826191 /nfs/dbraw/zinc/82/61/91/631826191.db2.gz OFNSAXQIOFHATL-HNNXBMFYSA-N 1 0 302.466 3.289 20 10 DGCDRO CCN(CC)c1ccc(CNC(=[NH2+])NCCc2ccccc2)cc1 ZINC000849071347 631826772 /nfs/dbraw/zinc/82/67/72/631826772.db2.gz KABUBHAWOGACRD-UHFFFAOYSA-N 1 0 324.472 3.389 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)c1 ZINC000849349834 631900407 /nfs/dbraw/zinc/90/04/07/631900407.db2.gz KNXCJVORFWHJIW-QZTJIDSGSA-N 1 0 314.404 3.075 20 10 DGCDRO Cc1cc(O)c(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1C ZINC000849352535 631901853 /nfs/dbraw/zinc/90/18/53/631901853.db2.gz NVWKJFQJNIRPAB-IBGZPJMESA-N 1 0 312.413 3.282 20 10 DGCDRO CCCn1nccc1C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000850034500 632034442 /nfs/dbraw/zinc/03/44/42/632034442.db2.gz LBGBGVMTLSCAND-UHFFFAOYSA-N 1 0 300.450 3.429 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2c(C3CCC3)cnn2C)cc1F ZINC000850099654 632056250 /nfs/dbraw/zinc/05/62/50/632056250.db2.gz SAOJQPILEGSZGR-UHFFFAOYSA-N 1 0 316.424 3.183 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1C ZINC000850113582 632059183 /nfs/dbraw/zinc/05/91/83/632059183.db2.gz NCNGMXDWVHEKAI-UHFFFAOYSA-N 1 0 313.323 3.046 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850279270 632100658 /nfs/dbraw/zinc/10/06/58/632100658.db2.gz WUKLVYYTYQXPGH-BLLLJJGKSA-N 1 0 307.434 3.213 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850295496 632106839 /nfs/dbraw/zinc/10/68/39/632106839.db2.gz WKLQROJFJHHODY-KGLIPLIRSA-N 1 0 321.461 3.461 20 10 DGCDRO COc1cc(C[NH2+]CC[C@@H](C)CCO)c(O)c(C(C)(C)C)c1 ZINC000850312294 632111282 /nfs/dbraw/zinc/11/12/82/632111282.db2.gz HLJBJNKORJFNAJ-CYBMUJFWSA-N 1 0 309.450 3.197 20 10 DGCDRO COc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850311717 632111468 /nfs/dbraw/zinc/11/14/68/632111468.db2.gz ZJWVGISVZVBLDO-DJJJIMSYSA-N 1 0 321.461 3.339 20 10 DGCDRO COc1cc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850311718 632111584 /nfs/dbraw/zinc/11/15/84/632111584.db2.gz ZJWVGISVZVBLDO-ORAYPTAESA-N 1 0 321.461 3.339 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)cc1C ZINC000850345142 632119836 /nfs/dbraw/zinc/11/98/36/632119836.db2.gz LLLQAAGUSGEXCJ-UHFFFAOYSA-N 1 0 311.307 3.102 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C)s3)C2)cc1 ZINC000850346287 632120107 /nfs/dbraw/zinc/12/01/07/632120107.db2.gz RSWQCMRHFKXFTH-CQSZACIVSA-N 1 0 302.443 3.434 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C)oc3C)C2)cc1 ZINC000850347498 632121040 /nfs/dbraw/zinc/12/10/40/632121040.db2.gz SNVZXQLJANRWIM-INIZCTEOSA-N 1 0 300.402 3.274 20 10 DGCDRO CN(C)c1ccc(/C=C\CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000850351011 632121851 /nfs/dbraw/zinc/12/18/51/632121851.db2.gz JTCQYCFTRKUNFB-JTGQJZMRSA-N 1 0 301.478 3.228 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C=CCC2)ccc1N1CCCCC1 ZINC000850358064 632125159 /nfs/dbraw/zinc/12/51/59/632125159.db2.gz FPEFGNALWZSKDP-OAHLLOKOSA-N 1 0 301.390 3.393 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1(CO)CC1 ZINC000850362102 632125632 /nfs/dbraw/zinc/12/56/32/632125632.db2.gz YRYARMRCYOPJCA-NSHDSACASA-N 1 0 316.367 3.022 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850378321 632132215 /nfs/dbraw/zinc/13/22/15/632132215.db2.gz YNHMZXXDYLEJRM-AOIWGVFYSA-N 1 0 300.446 3.049 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c1 ZINC000850381631 632133914 /nfs/dbraw/zinc/13/39/14/632133914.db2.gz HWLSBSFIUPHKQU-HNNXBMFYSA-N 1 0 317.360 3.023 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1C ZINC000850384868 632135081 /nfs/dbraw/zinc/13/50/81/632135081.db2.gz SFRWYEAGBAEOGG-SJLPKXTDSA-N 1 0 313.445 3.244 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)cc1 ZINC000850386818 632135307 /nfs/dbraw/zinc/13/53/07/632135307.db2.gz PSUAIJGNZPXRCO-UHFFFAOYSA-N 1 0 302.462 3.174 20 10 DGCDRO CC(C)[C@H](O)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000850395843 632138913 /nfs/dbraw/zinc/13/89/13/632138913.db2.gz ZVTYMIKZVGKMPR-UXHICEINSA-N 1 0 311.425 3.469 20 10 DGCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850404606 632141528 /nfs/dbraw/zinc/14/15/28/632141528.db2.gz BHMDKMKXSQIRMI-UHFFFAOYSA-N 1 0 324.468 3.500 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(O)c1 ZINC000850409752 632143589 /nfs/dbraw/zinc/14/35/89/632143589.db2.gz ZXNLGRYLDVXFFD-QXAKKESOSA-N 1 0 313.372 3.358 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCSCC1)c1ccc(N2CCOCC2)cc1 ZINC000850427890 632149179 /nfs/dbraw/zinc/14/91/79/632149179.db2.gz GKEBPEDMQWNFAO-RDJZCZTQSA-N 1 0 320.502 3.460 20 10 DGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)[C@H]1CCOC1 ZINC000850484121 632166202 /nfs/dbraw/zinc/16/62/02/632166202.db2.gz CPZZAWJCUAJXPW-TYNCELHUSA-N 1 0 313.825 3.056 20 10 DGCDRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(Br)cc1O ZINC000850483593 632166278 /nfs/dbraw/zinc/16/62/78/632166278.db2.gz ZUDVJOCXLINFBO-ONGXEEELSA-N 1 0 314.223 3.373 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C3CCSCC3)C2)cc1 ZINC000850486830 632167617 /nfs/dbraw/zinc/16/76/17/632167617.db2.gz DHBLNYXVFKTFAJ-ZBFHGGJFSA-N 1 0 320.502 3.395 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)Cc3ccoc3)C2)cc1 ZINC000850486478 632167671 /nfs/dbraw/zinc/16/76/71/632167671.db2.gz HRLIMUHUDFUBTM-GOEBONIOSA-N 1 0 300.402 3.088 20 10 DGCDRO CCCC[C@@H](COC)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850488901 632168103 /nfs/dbraw/zinc/16/81/03/632168103.db2.gz PDNQXYRPVIPUGU-CVEARBPZSA-N 1 0 306.450 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccccc3O)C2)cc1 ZINC000850489813 632168935 /nfs/dbraw/zinc/16/89/35/632168935.db2.gz XEBZYAHFMNNNNZ-CABCVRRESA-N 1 0 312.413 3.330 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccccc3O)C2)cc1 ZINC000850489815 632169173 /nfs/dbraw/zinc/16/91/73/632169173.db2.gz XEBZYAHFMNNNNZ-GJZGRUSLSA-N 1 0 312.413 3.330 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccccc3O)C2)cc1 ZINC000850489816 632169419 /nfs/dbraw/zinc/16/94/19/632169419.db2.gz XEBZYAHFMNNNNZ-HUUCEWRRSA-N 1 0 312.413 3.330 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](COC)C2CCOCC2)cc1 ZINC000850491537 632169995 /nfs/dbraw/zinc/16/99/95/632169995.db2.gz FAFBHTSFWOHMSQ-BEFAXECRSA-N 1 0 320.477 3.235 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(N(C)C)cc1 ZINC000850501853 632173539 /nfs/dbraw/zinc/17/35/39/632173539.db2.gz QGNIKMGAKRHTHE-DFIRMOIBSA-N 1 0 308.491 3.093 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(N(C)C)cc1 ZINC000850503126 632173749 /nfs/dbraw/zinc/17/37/49/632173749.db2.gz ULOSYEHWYMGLSQ-YDGKCNFYSA-N 1 0 322.518 3.483 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCO[C@H]2CC2(F)F)c2c1c(F)ccc2O ZINC000850521331 632178138 /nfs/dbraw/zinc/17/81/38/632178138.db2.gz RZPLKHXSAKPTGX-QRTLGDNMSA-N 1 0 301.308 3.093 20 10 DGCDRO COCc1csc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000850533130 632183230 /nfs/dbraw/zinc/18/32/30/632183230.db2.gz RBVOANRZXIOIIF-NSHDSACASA-N 1 0 307.415 3.460 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccoc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850532088 632183341 /nfs/dbraw/zinc/18/33/41/632183341.db2.gz PTXHCYZDKYOTHV-CQSZACIVSA-N 1 0 318.392 3.149 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2COc3cc(F)ccc3C2)c1O ZINC000850537797 632186417 /nfs/dbraw/zinc/18/64/17/632186417.db2.gz URUTYAHVLZHPSE-SMDDNHRTSA-N 1 0 317.360 3.194 20 10 DGCDRO Cc1cncc(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000850549452 632189015 /nfs/dbraw/zinc/18/90/15/632189015.db2.gz GSKMGXYLLKVWSZ-IINYFYTJSA-N 1 0 301.365 3.010 20 10 DGCDRO CNC(=O)CC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCCC1 ZINC000850553951 632190856 /nfs/dbraw/zinc/19/08/56/632190856.db2.gz ABXAUPYXVXSYQL-HNNXBMFYSA-N 1 0 316.445 3.056 20 10 DGCDRO CNC(=O)CC1(C[NH2+][C@@H](C)c2ccc(C)cc2O)CCCCC1 ZINC000850556636 632192032 /nfs/dbraw/zinc/19/20/32/632192032.db2.gz RRRFNUGZUYUUBV-HNNXBMFYSA-N 1 0 318.461 3.438 20 10 DGCDRO CC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccccc1O ZINC000850561057 632194505 /nfs/dbraw/zinc/19/45/05/632194505.db2.gz HXAMYSRPDWNDTP-CRAIPNDOSA-N 1 0 307.434 3.001 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)CC1 ZINC000850568525 632196449 /nfs/dbraw/zinc/19/64/49/632196449.db2.gz ZZXMIFDXIAXALC-GOSISDBHSA-N 1 0 300.446 3.070 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)CC1 ZINC000850569144 632197244 /nfs/dbraw/zinc/19/72/44/632197244.db2.gz VJPJRJIVEDFMLK-GOSISDBHSA-N 1 0 300.446 3.070 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)CC1 ZINC000850569145 632197693 /nfs/dbraw/zinc/19/76/93/632197693.db2.gz VJPJRJIVEDFMLK-SFHVURJKSA-N 1 0 300.446 3.070 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](C)O)c1 ZINC000850582293 632201939 /nfs/dbraw/zinc/20/19/39/632201939.db2.gz DBLRGQDUXNTFLX-ZJNRKIDTSA-N 1 0 301.386 3.174 20 10 DGCDRO CC[C@H](CC(F)F)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000851713344 632473161 /nfs/dbraw/zinc/47/31/61/632473161.db2.gz BTHHWEBNLRWYBN-CQSZACIVSA-N 1 0 312.404 3.499 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000851897063 632516406 /nfs/dbraw/zinc/51/64/06/632516406.db2.gz OCRDBJLZQMCGFM-ONIAQPFYSA-N 1 0 300.446 3.220 20 10 DGCDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000184903650 660194613 /nfs/dbraw/zinc/19/46/13/660194613.db2.gz UMQNZJBHYDFFTJ-CQSZACIVSA-N 1 0 301.386 3.439 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000185313987 660215096 /nfs/dbraw/zinc/21/50/96/660215096.db2.gz YCNOBGHRYFVWLB-CYBMUJFWSA-N 1 0 308.422 3.218 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cc(F)ccc1O ZINC000186095331 660266237 /nfs/dbraw/zinc/26/62/37/660266237.db2.gz IBPJDTUOGOCYCO-FIKIJFGZSA-N 1 0 307.390 3.120 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C)c2)c1 ZINC000186124586 660268940 /nfs/dbraw/zinc/26/89/40/660268940.db2.gz HBSVMDZRPLKPAU-FZKQIMNGSA-N 1 0 301.386 3.093 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c(O)c1 ZINC000186095017 660266179 /nfs/dbraw/zinc/26/61/79/660266179.db2.gz QYQJSNFNMIVIEY-ASSNKEHSSA-N 1 0 303.427 3.289 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1O ZINC000186397664 660381596 /nfs/dbraw/zinc/38/15/96/660381596.db2.gz DIYXDWXXJITXSD-IRXDYDNUSA-N 1 0 323.408 3.417 20 10 DGCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000186752216 660573289 /nfs/dbraw/zinc/57/32/89/660573289.db2.gz QLZDIYUIRKVCDL-KBPBESRZSA-N 1 0 320.433 3.218 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCSC1 ZINC000700992807 660647654 /nfs/dbraw/zinc/64/76/54/660647654.db2.gz IOERQCVDBGDPDG-NSHDSACASA-N 1 0 302.237 3.140 20 10 DGCDRO CC(C)(CO)CCC[NH2+]Cc1c(O)cccc1Br ZINC000706808736 660873614 /nfs/dbraw/zinc/87/36/14/660873614.db2.gz ZCKUUKIODYCJLD-UHFFFAOYSA-N 1 0 316.239 3.043 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2c(O)cccc2Br)nc1C ZINC000706831688 660874186 /nfs/dbraw/zinc/87/41/86/660874186.db2.gz LECLENXEONGPMZ-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CCC[C@H]1CCOC1 ZINC000706842141 660877204 /nfs/dbraw/zinc/87/72/04/660877204.db2.gz PHFVAPCLFNWNBY-NSHDSACASA-N 1 0 314.223 3.061 20 10 DGCDRO CC(C)OCC(C)(C)[NH2+]Cc1c(O)cccc1Br ZINC000706883741 660879343 /nfs/dbraw/zinc/87/93/43/660879343.db2.gz YXGHGMGOWDNCHV-UHFFFAOYSA-N 1 0 316.239 3.448 20 10 DGCDRO CC[N@H+](Cc1cc(Br)ccc1O)CC1(F)CC1 ZINC000792835970 660987725 /nfs/dbraw/zinc/98/77/25/660987725.db2.gz PAYJZIBDNNIOPN-UHFFFAOYSA-N 1 0 302.187 3.479 20 10 DGCDRO CC[C@H](O)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792993913 660999156 /nfs/dbraw/zinc/99/91/56/660999156.db2.gz ZUPWOGDFMAQBIZ-AWEZNQCLSA-N 1 0 318.383 3.412 20 10 DGCDRO COC1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1 ZINC000793068811 661003459 /nfs/dbraw/zinc/00/34/59/661003459.db2.gz ZYNTXMCQGILCIF-UHFFFAOYSA-N 1 0 316.367 3.430 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C(C)(C)C)c(C(F)(F)F)c1 ZINC000793186327 661010972 /nfs/dbraw/zinc/01/09/72/661010972.db2.gz NYUPALRADWTFCA-AWEZNQCLSA-N 1 0 318.383 3.268 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1F ZINC000793320377 661024278 /nfs/dbraw/zinc/02/42/78/661024278.db2.gz CMLYAXHVXLRABU-INIZCTEOSA-N 1 0 308.441 3.313 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)c(O)c1 ZINC000793385376 661028801 /nfs/dbraw/zinc/02/88/01/661028801.db2.gz AFCWVJZTZKZPII-UHFFFAOYSA-N 1 0 309.369 3.081 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000793391415 661029534 /nfs/dbraw/zinc/02/95/34/661029534.db2.gz YFAFTVBVXCZLEG-XQRVVYSFSA-N 1 0 314.341 3.112 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@](C)(O)CC2)c1 ZINC000794672853 661097519 /nfs/dbraw/zinc/09/75/19/661097519.db2.gz PWOSOJBPGFZXRS-SFHVURJKSA-N 1 0 307.434 3.132 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cc(Cl)ccc1O ZINC000794834330 661107964 /nfs/dbraw/zinc/10/79/64/661107964.db2.gz MVACMOMYRXPQNQ-CZUORRHYSA-N 1 0 324.852 3.345 20 10 DGCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)C(C)(C)OC)cc2)CC1 ZINC000932372745 655549673 /nfs/dbraw/zinc/54/96/73/655549673.db2.gz RZNDDUTWIYAEOZ-OAHLLOKOSA-N 1 0 320.477 3.205 20 10 DGCDRO COc1cc(C[NH+]2CCC(C3CCOCC3)CC2)c(O)cc1C ZINC000160478791 655641673 /nfs/dbraw/zinc/64/16/73/655641673.db2.gz XXAGQMQEDLPFJB-UHFFFAOYSA-N 1 0 319.445 3.348 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000795715718 661169635 /nfs/dbraw/zinc/16/96/35/661169635.db2.gz DWVILKPXIDRVPU-OAHLLOKOSA-N 1 0 317.351 3.288 20 10 DGCDRO CCc1cc(C[N@H+](C)CCCC(=O)NC)c(O)c(C(C)(C)C)c1 ZINC000156986900 655682550 /nfs/dbraw/zinc/68/25/50/655682550.db2.gz FVBOBWWDURDNHJ-UHFFFAOYSA-N 1 0 320.477 3.210 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000092762414 655739075 /nfs/dbraw/zinc/73/90/75/655739075.db2.gz SJWPDECKWYPLGR-HUUCEWRRSA-N 1 0 306.425 3.283 20 10 DGCDRO CCCCC1([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000934209190 655756405 /nfs/dbraw/zinc/75/64/05/655756405.db2.gz KWHQBLASGPNDGF-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO [O-]c1c(Br)cccc1C[NH2+]CCc1ccc(O)cc1 ZINC000048797665 655777941 /nfs/dbraw/zinc/77/79/41/655777941.db2.gz OOTOFQVUNYGIIM-UHFFFAOYSA-N 1 0 322.202 3.193 20 10 DGCDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)CCOC1 ZINC000317882187 655825459 /nfs/dbraw/zinc/82/54/59/655825459.db2.gz UNJJBKUEVQSFTF-UGSOOPFHSA-N 1 0 301.386 3.002 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000724910973 655827575 /nfs/dbraw/zinc/82/75/75/655827575.db2.gz BYQHSALYJMAOPV-KBPBESRZSA-N 1 0 320.433 3.361 20 10 DGCDRO C[C@@H]([NH2+]CC1CCSCC1)c1ccc(N2CCOCC2)cc1 ZINC000268880197 655866734 /nfs/dbraw/zinc/86/67/34/655866734.db2.gz LJFHGDSJJSMFLZ-OAHLLOKOSA-N 1 0 320.502 3.317 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000179936289 655923036 /nfs/dbraw/zinc/92/30/36/655923036.db2.gz JXSVAZRUPOKDOX-UHFFFAOYSA-N 1 0 305.418 3.326 20 10 DGCDRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000177919870 655949965 /nfs/dbraw/zinc/94/99/65/655949965.db2.gz QBLHJQWDYCRGJI-LBPRGKRZSA-N 1 0 304.356 3.372 20 10 DGCDRO Cc1ccnc(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)c1 ZINC000164520974 655979003 /nfs/dbraw/zinc/97/90/03/655979003.db2.gz CMIHECIMGPAXGH-UHFFFAOYSA-N 1 0 311.429 3.035 20 10 DGCDRO CN(c1ccc(CNC(=O)C(C)(C)C[NH3+])cc1)C1CCCCC1 ZINC000166470411 655996111 /nfs/dbraw/zinc/99/61/11/655996111.db2.gz WQXUCMSKBHRLJF-UHFFFAOYSA-N 1 0 317.477 3.057 20 10 DGCDRO OCC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000178875008 656004493 /nfs/dbraw/zinc/00/44/93/656004493.db2.gz UQLDZFGDNZHFAS-UHFFFAOYSA-N 1 0 302.462 3.319 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CCCC12OCCO2 ZINC000715596913 661212769 /nfs/dbraw/zinc/21/27/69/661212769.db2.gz AQHPDZAVWWJEMC-SFHVURJKSA-N 1 0 316.445 3.062 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000840892826 656035323 /nfs/dbraw/zinc/03/53/23/656035323.db2.gz DQVVFVGORCKDJA-HOTGVXAUSA-N 1 0 304.478 3.397 20 10 DGCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180286862 656092176 /nfs/dbraw/zinc/09/21/76/656092176.db2.gz DOIWSQBDDHZYGF-CYBMUJFWSA-N 1 0 309.381 3.087 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1O ZINC000185199591 656124941 /nfs/dbraw/zinc/12/49/41/656124941.db2.gz JLHHUBXJCMIHFB-DOTOQJQBSA-N 1 0 307.434 3.474 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCC(C(=O)OCC)CC1 ZINC000194977347 656206890 /nfs/dbraw/zinc/20/68/90/656206890.db2.gz IELPINJCINAVPI-UHFFFAOYSA-N 1 0 318.461 3.484 20 10 DGCDRO c1ccc2c(c1)CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093385329 656317293 /nfs/dbraw/zinc/31/72/93/656317293.db2.gz NDMLLDATJCWYTB-UHFFFAOYSA-N 1 0 322.452 3.124 20 10 DGCDRO CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC000980307256 656483445 /nfs/dbraw/zinc/48/34/45/656483445.db2.gz OGSMYVSAUWYJSE-NVXWUHKLSA-N 1 0 318.461 3.130 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000006998422 656490374 /nfs/dbraw/zinc/49/03/74/656490374.db2.gz ZXTNAJKUDUUYMR-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000724912007 656530062 /nfs/dbraw/zinc/53/00/62/656530062.db2.gz GWYOWXFCOZZJSA-KGLIPLIRSA-N 1 0 320.433 3.361 20 10 DGCDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc3ccccc3c2O)CCOC1 ZINC000317882183 656689079 /nfs/dbraw/zinc/68/90/79/656689079.db2.gz UNJJBKUEVQSFTF-FZKQIMNGSA-N 1 0 301.386 3.002 20 10 DGCDRO CO[C@]1(C[NH2+][C@H](C)c2ccc3ccccc3c2O)CCOC1 ZINC000317882180 656689172 /nfs/dbraw/zinc/68/91/72/656689172.db2.gz UNJJBKUEVQSFTF-ACJLOTCBSA-N 1 0 301.386 3.002 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000310196865 656734479 /nfs/dbraw/zinc/73/44/79/656734479.db2.gz ZGKDRESCRQYBGI-JTQLQIEISA-N 1 0 306.150 3.432 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)CC(=O)OC)cc1F ZINC000236907235 656980925 /nfs/dbraw/zinc/98/09/25/656980925.db2.gz PWJBMEOCHQSUBF-UHFFFAOYSA-N 1 0 310.413 3.103 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1O ZINC000126372537 657147524 /nfs/dbraw/zinc/14/75/24/657147524.db2.gz NMURXDUYKADBTD-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO CC[C@H]([NH2+]CCn1cccn1)c1cc(Br)ccc1O ZINC000049074690 657334772 /nfs/dbraw/zinc/33/47/72/657334772.db2.gz RGSRXZQWANKAKB-ZDUSSCGKSA-N 1 0 324.222 3.092 20 10 DGCDRO CC[C@@H]([NH2+]CCn1cccn1)c1cc(Br)ccc1O ZINC000049074692 657334890 /nfs/dbraw/zinc/33/48/90/657334890.db2.gz RGSRXZQWANKAKB-CYBMUJFWSA-N 1 0 324.222 3.092 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2)cc1 ZINC000067500719 657586530 /nfs/dbraw/zinc/58/65/30/657586530.db2.gz BOPMCXGCIFKKLT-MRXNPFEDSA-N 1 0 300.450 3.155 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H]3C[C@@H](C)O)c2c1 ZINC000305274158 657698841 /nfs/dbraw/zinc/69/88/41/657698841.db2.gz ZRMUCZXKQQXOJR-UKRRQHHQSA-N 1 0 315.413 3.289 20 10 DGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCCO1 ZINC000097989737 657700647 /nfs/dbraw/zinc/70/06/47/657700647.db2.gz FDSNHXARGUSYDT-ZDUSSCGKSA-N 1 0 314.223 3.156 20 10 DGCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(OC)CC3)c2c1 ZINC000054358443 657941638 /nfs/dbraw/zinc/94/16/38/657941638.db2.gz ZARUDWGBINSMRX-UHFFFAOYSA-N 1 0 301.386 3.165 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(Cl)c2)c1 ZINC000305755132 658007045 /nfs/dbraw/zinc/00/70/45/658007045.db2.gz AJHDLRMSHYTKFB-DIFFPNOSSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000305779201 658042983 /nfs/dbraw/zinc/04/29/83/658042983.db2.gz RKIGPVSGZJLSCR-GTNSWQLSSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c1 ZINC000305785738 658044696 /nfs/dbraw/zinc/04/46/96/658044696.db2.gz XTURPCWJLGMZNP-QFYYESIMSA-N 1 0 323.339 3.063 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccccc1O ZINC000305789769 658046375 /nfs/dbraw/zinc/04/63/75/658046375.db2.gz ZNORINLQPLTBOS-HOCLYGCPSA-N 1 0 307.340 3.445 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C=C(C)C)C2)cc1C ZINC000987918979 658285416 /nfs/dbraw/zinc/28/54/16/658285416.db2.gz PFZNQPLFSIKPDW-DOTOQJQBSA-N 1 0 316.445 3.049 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000054445731 658321501 /nfs/dbraw/zinc/32/15/01/658321501.db2.gz YOOKOEKEAPAUIC-GFCCVEGCSA-N 1 0 301.386 3.238 20 10 DGCDRO C/C=C(\C)C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC000988512193 658350823 /nfs/dbraw/zinc/35/08/23/658350823.db2.gz LMVGFRPNUYMBIO-YDWGSUHDSA-N 1 0 316.445 3.049 20 10 DGCDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000237383916 658381867 /nfs/dbraw/zinc/38/18/67/658381867.db2.gz GHTUMSXTVDSBBQ-AEFFLSMTSA-N 1 0 302.462 3.439 20 10 DGCDRO CC[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000163500067 658467684 /nfs/dbraw/zinc/46/76/84/658467684.db2.gz NQXQEAPVISPTDF-RBUKOAKNSA-N 1 0 320.477 3.379 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000128491526 658747980 /nfs/dbraw/zinc/74/79/80/658747980.db2.gz IDGRFABPMLGGFB-UHFFFAOYSA-N 1 0 314.429 3.402 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H](C)[C@H]3C)c2c1 ZINC000164144393 658919504 /nfs/dbraw/zinc/91/95/04/658919504.db2.gz UEPZTZFAPDKDGX-OLZOCXBDSA-N 1 0 301.386 3.163 20 10 DGCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(C)cc(C)c3O)C2)n1 ZINC000164210222 658921399 /nfs/dbraw/zinc/92/13/99/658921399.db2.gz FJBQXXDZWGXVNE-CQSZACIVSA-N 1 0 301.390 3.080 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000164305535 658929187 /nfs/dbraw/zinc/92/91/87/658929187.db2.gz NAYJBINQCZVUOK-OAHLLOKOSA-N 1 0 320.433 3.108 20 10 DGCDRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166471224 659034099 /nfs/dbraw/zinc/03/40/99/659034099.db2.gz LJZSXIYFGRNCMD-SFHVURJKSA-N 1 0 317.477 3.055 20 10 DGCDRO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000227440927 659154948 /nfs/dbraw/zinc/15/49/48/659154948.db2.gz QRZMUUVFQMFKII-HNNXBMFYSA-N 1 0 320.433 3.271 20 10 DGCDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C1(C)C ZINC000227832008 659165440 /nfs/dbraw/zinc/16/54/40/659165440.db2.gz SUQBGVBVDSLBRQ-STQMWFEESA-N 1 0 314.223 3.058 20 10 DGCDRO [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC000228535421 659194689 /nfs/dbraw/zinc/19/46/89/659194689.db2.gz KPPIOEMCUDJPDM-MRCXROJRSA-N 1 0 315.244 3.258 20 10 DGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000171734394 659296517 /nfs/dbraw/zinc/29/65/17/659296517.db2.gz ZSVHFPHXLTUPRI-HNNXBMFYSA-N 1 0 318.461 3.497 20 10 DGCDRO CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000230744740 659347483 /nfs/dbraw/zinc/34/74/83/659347483.db2.gz GJDOXMPRHVFKPU-UHFFFAOYSA-N 1 0 305.249 3.473 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2cc(Br)ccc2O)nc1C ZINC000313835863 659591109 /nfs/dbraw/zinc/59/11/09/659591109.db2.gz OYWGNEMILGYMDM-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3ccccc3)CC2)c1 ZINC000179728516 659939458 /nfs/dbraw/zinc/93/94/58/659939458.db2.gz ISDZPAHFSJESOX-UHFFFAOYSA-N 1 0 313.397 3.444 20 10 DGCDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C)c1O ZINC000179741920 659940413 /nfs/dbraw/zinc/94/04/13/659940413.db2.gz UXHHNXAEHJJWSC-UHFFFAOYSA-N 1 0 310.397 3.221 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(OC)c(C)c2)c1 ZINC000179960166 659947796 /nfs/dbraw/zinc/94/77/96/659947796.db2.gz HVSXSBDJVMXSFW-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO C[C@H]([NH2+]Cc1ccsc1)c1ccc(N2CCOCC2)cc1 ZINC000068478504 659954115 /nfs/dbraw/zinc/95/41/15/659954115.db2.gz CCZSYXMKTHKQTM-AWEZNQCLSA-N 1 0 302.443 3.436 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000180192694 659954833 /nfs/dbraw/zinc/95/48/33/659954833.db2.gz JFVDWNVAETVTAZ-ZDUSSCGKSA-N 1 0 301.386 3.169 20 10 DGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)ccc2O)C12CCC2 ZINC000180749120 659969471 /nfs/dbraw/zinc/96/94/71/659969471.db2.gz FXAXBWWGAZKLHM-DLBZAZTESA-N 1 0 305.418 3.180 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1 ZINC000068973684 659970880 /nfs/dbraw/zinc/97/08/80/659970880.db2.gz TVIBVNHXQOFWAS-SFHVURJKSA-N 1 0 303.377 3.477 20 10 DGCDRO Fc1cc(C[NH2+]C2CCCCCC2)ccc1N1CCOCC1 ZINC000069751495 660019449 /nfs/dbraw/zinc/01/94/49/660019449.db2.gz WZOCTMWOXTVTAP-UHFFFAOYSA-N 1 0 306.425 3.475 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOCC(F)(F)F)c1 ZINC000182367631 660048091 /nfs/dbraw/zinc/04/80/91/660048091.db2.gz SNSDPLYGINFTIZ-SNVBAGLBSA-N 1 0 307.312 3.020 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)c1 ZINC000182381122 660049241 /nfs/dbraw/zinc/04/92/41/660049241.db2.gz LHEUBFQUSIZOSX-LBPRGKRZSA-N 1 0 312.369 3.132 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000182434349 660053119 /nfs/dbraw/zinc/05/31/19/660053119.db2.gz TZLAOMGTKOURLY-SNVBAGLBSA-N 1 0 320.320 3.299 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2cccc(C#N)c2)c1 ZINC000182463135 660054670 /nfs/dbraw/zinc/05/46/70/660054670.db2.gz OLGJFECSIYCTFE-CYBMUJFWSA-N 1 0 312.369 3.002 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000071711608 660140170 /nfs/dbraw/zinc/14/01/70/660140170.db2.gz VNBJNBKCBNTFOL-UHFFFAOYSA-N 1 0 300.377 3.157 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CCC1(O)CCC1 ZINC000930349965 661391717 /nfs/dbraw/zinc/39/17/17/661391717.db2.gz CRTKZTQZVQKLMP-KRWDZBQOSA-N 1 0 321.461 3.050 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)CCOCc1ccccc1)c1ccccc1O ZINC000931555592 661487966 /nfs/dbraw/zinc/48/79/66/661487966.db2.gz YXPCELQOIFNYBM-WBVHZDCISA-N 1 0 315.413 3.011 20 10 DGCDRO CCO[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000155433584 661846602 /nfs/dbraw/zinc/84/66/02/661846602.db2.gz OKASFALFLDTFSV-ZDUSSCGKSA-N 1 0 314.223 3.156 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1COc2c(cccc2OC)C1)c1ccccc1O ZINC000155623642 661849796 /nfs/dbraw/zinc/84/97/96/661849796.db2.gz QLXNUTQRWNHGIR-GOEBONIOSA-N 1 0 313.397 3.445 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(F)cc2)cc1OC ZINC000159487662 661889032 /nfs/dbraw/zinc/88/90/32/661889032.db2.gz TVMYEPNTOVZVHE-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000189999032 662001308 /nfs/dbraw/zinc/00/13/08/662001308.db2.gz SHTGTISOAGFANH-TZMCWYRMSA-N 1 0 308.422 3.346 20 10 DGCDRO COc1cccc(C[NH2+]CCc2ccccc2OC(F)F)c1O ZINC000190881497 662048122 /nfs/dbraw/zinc/04/81/22/662048122.db2.gz KTKUECGBTLASEG-UHFFFAOYSA-N 1 0 323.339 3.335 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@]2(CO)CC(C)C)c1O ZINC000191660000 662076192 /nfs/dbraw/zinc/07/61/92/662076192.db2.gz CGJVGYGDKPWOQB-GOSISDBHSA-N 1 0 323.408 3.107 20 10 DGCDRO Cc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000078681638 662081148 /nfs/dbraw/zinc/08/11/48/662081148.db2.gz QZBJDWRTMSRNGK-UHFFFAOYSA-N 1 0 310.441 3.464 20 10 DGCDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)NC(=O)OC(C)(C)C ZINC000192685255 662108360 /nfs/dbraw/zinc/10/83/60/662108360.db2.gz AGSLPRGKWNAAQV-SNVBAGLBSA-N 1 0 314.813 3.048 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCSC3(CCCCC3)C1)OCO2 ZINC000080301269 662135979 /nfs/dbraw/zinc/13/59/79/662135979.db2.gz GGMHILOQVDHIPF-UHFFFAOYSA-N 1 0 321.442 3.373 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000090655168 662270642 /nfs/dbraw/zinc/27/06/42/662270642.db2.gz PZMFVWRQQKRFOC-TWOQFEAHSA-N 1 0 312.457 3.395 20 10 DGCDRO CS[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090726640 662272863 /nfs/dbraw/zinc/27/28/63/662272863.db2.gz MXJJVQYMFMZDIS-CHWSQXEVSA-N 1 0 312.454 3.064 20 10 DGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000090891321 662284639 /nfs/dbraw/zinc/28/46/39/662284639.db2.gz UWYOEDWRGMCKHJ-IFXJQAMLSA-N 1 0 316.420 3.450 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000091898803 662324160 /nfs/dbraw/zinc/32/41/60/662324160.db2.gz QUKHJZAQZAGYRO-MJGOQNOKSA-N 1 0 302.462 3.270 20 10 DGCDRO COC(=O)c1cc(C[N@H+](C)Cc2cc(C)c(C)cc2O)oc1C ZINC000247822241 662328595 /nfs/dbraw/zinc/32/85/95/662328595.db2.gz INJOTYKHGKDHGL-UHFFFAOYSA-N 1 0 317.385 3.329 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC)Cc2cnn(C)c2)cc1F ZINC000092437821 662331001 /nfs/dbraw/zinc/33/10/01/662331001.db2.gz QXOHKWWZTJAOCQ-UHFFFAOYSA-N 1 0 318.440 3.428 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)cc1 ZINC000092660669 662333547 /nfs/dbraw/zinc/33/35/47/662333547.db2.gz RERXDPLOZYSJAS-MRXNPFEDSA-N 1 0 317.477 3.010 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1OC ZINC000248416837 662344588 /nfs/dbraw/zinc/34/45/88/662344588.db2.gz JBJFYXSHUBABNA-AEGPPILISA-N 1 0 305.418 3.420 20 10 DGCDRO CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000248482318 662349206 /nfs/dbraw/zinc/34/92/06/662349206.db2.gz BZZKCVXWYFOUIL-HUUCEWRRSA-N 1 0 306.450 3.316 20 10 DGCDRO CC[N@@H+](Cc1cccc(OC)c1O)C[C@H](O)c1ccc(C)cc1 ZINC000093641070 662358532 /nfs/dbraw/zinc/35/85/32/662358532.db2.gz KWUKKOWAFIZGSG-KRWDZBQOSA-N 1 0 315.413 3.265 20 10 DGCDRO CCOC[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000093839103 662360423 /nfs/dbraw/zinc/36/04/23/662360423.db2.gz NFTPUEXGGYTKRM-NSHDSACASA-N 1 0 314.223 3.013 20 10 DGCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000186764952 685113642 /nfs/dbraw/zinc/11/36/42/685113642.db2.gz YNCCISSTZGQUHU-UONOGXRCSA-N 1 0 320.433 3.218 20 10 DGCDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000382452239 685163290 /nfs/dbraw/zinc/16/32/90/685163290.db2.gz GIPKYDQFHHVTMQ-DZGCQCFKSA-N 1 0 320.433 3.175 20 10 DGCDRO Cc1cc(Br)cc(C[N@H+]2CCCOC[C@@H]2C)c1O ZINC000398899438 685238572 /nfs/dbraw/zinc/23/85/72/685238572.db2.gz CQUWIIOAAPRXBW-NSHDSACASA-N 1 0 314.223 3.074 20 10 DGCDRO Cc1cc(C[NH2+]C[C@@H]2CC(F)(F)CN2)c(C)n1-c1ccccc1 ZINC001579601242 1191981768 /nfs/dbraw/zinc/98/17/68/1191981768.db2.gz LDCKABLLAJGYJY-INIZCTEOSA-N 1 0 319.399 3.181 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC23CC[NH2+]CC3)cc1 ZINC001579674000 1191985852 /nfs/dbraw/zinc/98/58/52/1191985852.db2.gz KBOXFHSXODZNHX-UHFFFAOYSA-N 1 0 323.440 3.062 20 10 DGCDRO C[C@H]1CCCN1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001620821759 1192173721 /nfs/dbraw/zinc/17/37/21/1192173721.db2.gz IPQAURPXMJDOFI-KRWDZBQOSA-N 1 0 301.478 3.251 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC001591947349 1192581901 /nfs/dbraw/zinc/58/19/01/1192581901.db2.gz BLHMEZNDGSXAQG-CYBMUJFWSA-N 1 0 323.400 3.040 20 10 DGCDRO CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@@H](O)C(F)(F)F ZINC001178369984 1177794227 /nfs/dbraw/zinc/79/42/27/1177794227.db2.gz SEHMJZDBWHIEHH-SWLSCSKDSA-N 1 0 314.351 3.278 20 10 DGCDRO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(C)ccc3O)C2)cc1 ZINC001331567875 1178249657 /nfs/dbraw/zinc/24/96/57/1178249657.db2.gz ZGBWBYSHZFZMSN-QGZVFWFLSA-N 1 0 310.397 3.292 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001331961681 1178321695 /nfs/dbraw/zinc/32/16/95/1178321695.db2.gz ZFEUFWIYBXBCFQ-MJGOQNOKSA-N 1 0 300.446 3.288 20 10 DGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001331985067 1178328008 /nfs/dbraw/zinc/32/80/08/1178328008.db2.gz VMAXFNRSTOCVMV-MQYQWHSLSA-N 1 0 303.402 3.180 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)cc1Cn1cccn1 ZINC001332314613 1178417095 /nfs/dbraw/zinc/41/70/95/1178417095.db2.gz ZULPUVHKGGAPSY-DLBZAZTESA-N 1 0 317.408 3.310 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)nc3c2CCCC3)c1 ZINC001333724025 1178660856 /nfs/dbraw/zinc/66/08/56/1178660856.db2.gz KEHFOAAEPBWQNS-UHFFFAOYSA-N 1 0 312.413 3.273 20 10 DGCDRO Cc1cc(O)c(CN2CCO[C@@](C)(C(F)F)C2)c(Cl)c1 ZINC001334057732 1178713883 /nfs/dbraw/zinc/71/38/83/1178713883.db2.gz LIDGSPNKDMXVFJ-CQSZACIVSA-N 1 0 305.752 3.210 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1nc(C)cs1 ZINC001334169428 1178731337 /nfs/dbraw/zinc/73/13/37/1178731337.db2.gz BTRBBYTUMIMPIJ-GFCCVEGCSA-N 1 0 322.430 3.415 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](c2ccsc2)N(C)C)c1O ZINC001334351153 1178752720 /nfs/dbraw/zinc/75/27/20/1178752720.db2.gz WSKJNOMFFHQOEF-HNNXBMFYSA-N 1 0 320.458 3.163 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)cn1 ZINC001335329694 1178895045 /nfs/dbraw/zinc/89/50/45/1178895045.db2.gz MTDOTNUIWRUSSF-UHFFFAOYSA-N 1 0 306.793 3.090 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001341806926 1179065577 /nfs/dbraw/zinc/06/55/77/1179065577.db2.gz XXCWAFCWIIKCKF-KRWDZBQOSA-N 1 0 319.493 3.253 20 10 DGCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)OCCc2ccccc21 ZINC001621047128 1192958394 /nfs/dbraw/zinc/95/83/94/1192958394.db2.gz HGGHPBXPEKROKY-HXUWFJFHSA-N 1 0 309.409 3.199 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccc3c[nH]nc32)cc1 ZINC001346207266 1179670576 /nfs/dbraw/zinc/67/05/76/1179670576.db2.gz WEJYACSXOHEODW-UHFFFAOYSA-N 1 0 324.428 3.140 20 10 DGCDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001346845633 1179755368 /nfs/dbraw/zinc/75/53/68/1179755368.db2.gz BJKOJDDYILSWLK-CDMIOBSGSA-N 1 0 320.502 3.066 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C)C1CCOCC1 ZINC001346869370 1179757589 /nfs/dbraw/zinc/75/75/89/1179757589.db2.gz QYXJJYZIGCBSJN-BMFZPTHFSA-N 1 0 319.445 3.280 20 10 DGCDRO COCc1ccccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC001350309895 1180049757 /nfs/dbraw/zinc/04/97/57/1180049757.db2.gz MVWLUSFHEPZGBX-UHFFFAOYSA-N 1 0 301.386 3.145 20 10 DGCDRO c1nn(-c2cc[nH+]cc2)cc1NCc1ccc(N2CCCC2)cc1 ZINC001200057743 1180353476 /nfs/dbraw/zinc/35/34/76/1180353476.db2.gz NGTRXAROWVQHPT-UHFFFAOYSA-N 1 0 319.412 3.480 20 10 DGCDRO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(N)cc2)cc1OC ZINC001352788141 1180398862 /nfs/dbraw/zinc/39/88/62/1180398862.db2.gz DFAPHOBSGCWIAC-NSHDSACASA-N 1 0 304.365 3.276 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H](OC)C(F)(F)F)cc1C ZINC001200366163 1180577669 /nfs/dbraw/zinc/57/76/69/1180577669.db2.gz SHFCXZXRDLFPAR-AWEZNQCLSA-N 1 0 305.340 3.451 20 10 DGCDRO C[C@](CO)([NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001200648602 1180784349 /nfs/dbraw/zinc/78/43/49/1180784349.db2.gz RZWCCSNIUNTJNR-LJQANCHMSA-N 1 0 303.446 3.433 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC001357338717 1181389647 /nfs/dbraw/zinc/38/96/47/1181389647.db2.gz VODFRHFTAOBFMP-SJORKVTESA-N 1 0 317.477 3.009 20 10 DGCDRO C[N@H+](CC(=O)NCc1c(O)ccc2ccccc21)CC(C)(C)C ZINC001456310134 1182409540 /nfs/dbraw/zinc/40/95/40/1182409540.db2.gz OTSQPWHSJDZTNH-UHFFFAOYSA-N 1 0 314.429 3.140 20 10 DGCDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC001460080762 1182648076 /nfs/dbraw/zinc/64/80/76/1182648076.db2.gz FZNUMBXOAQJKHJ-LSDHHAIUSA-N 1 0 311.422 3.498 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCOc2ccccc2F)cc1F ZINC001461012778 1182755643 /nfs/dbraw/zinc/75/56/43/1182755643.db2.gz FLWRHONHYLHDEQ-UHFFFAOYSA-N 1 0 306.356 3.199 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN(C)CC(F)(F)F)cc1 ZINC001461178057 1182778109 /nfs/dbraw/zinc/77/81/09/1182778109.db2.gz BOTCSRGISKMWBS-UHFFFAOYSA-N 1 0 317.399 3.117 20 10 DGCDRO CCC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC001461287849 1182792200 /nfs/dbraw/zinc/79/22/00/1182792200.db2.gz RQNDVKUJOLJBND-UHFFFAOYSA-N 1 0 306.425 3.332 20 10 DGCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1F ZINC001461351670 1182798117 /nfs/dbraw/zinc/79/81/17/1182798117.db2.gz KAVFCVZSAXBKHK-UHFFFAOYSA-N 1 0 313.420 3.498 20 10 DGCDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001461649826 1182837824 /nfs/dbraw/zinc/83/78/24/1182837824.db2.gz XETYBFWPJWJOMI-KGLIPLIRSA-N 1 0 302.340 3.038 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001461682062 1182842023 /nfs/dbraw/zinc/84/20/23/1182842023.db2.gz IIJJXTJCPLCRDG-XHBSWPGZSA-N 1 0 307.434 3.354 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](CCN(C)C)C1CCCC1 ZINC001462112144 1182909044 /nfs/dbraw/zinc/90/90/44/1182909044.db2.gz VKTRCDQSRWVCHV-UHFFFAOYSA-N 1 0 303.494 3.367 20 10 DGCDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001462251936 1182928825 /nfs/dbraw/zinc/92/88/25/1182928825.db2.gz ANFIAJULEGGNKH-DLBZAZTESA-N 1 0 324.415 3.420 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CC(N)=O)c2ccccc2)cc1Cl ZINC001462272706 1182931269 /nfs/dbraw/zinc/93/12/69/1182931269.db2.gz DTGAKNPBPQJEEQ-OAHLLOKOSA-N 1 0 318.804 3.060 20 10 DGCDRO Cc1cccc2c1C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)CO2 ZINC001462450136 1182954824 /nfs/dbraw/zinc/95/48/24/1182954824.db2.gz AAHPVFMFUXOMAG-KRWDZBQOSA-N 1 0 310.441 3.463 20 10 DGCDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)CO2 ZINC001462450137 1182955454 /nfs/dbraw/zinc/95/54/54/1182955454.db2.gz AAHPVFMFUXOMAG-QGZVFWFLSA-N 1 0 310.441 3.463 20 10 DGCDRO COC(=O)c1c(C[NH2+]CCC2CCC2)c2cc(F)ccc2n1C ZINC001462559546 1182969124 /nfs/dbraw/zinc/96/91/24/1182969124.db2.gz LUEQATPWEAMCEJ-UHFFFAOYSA-N 1 0 318.392 3.384 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2nccc3c2CCCC3)c(O)c1 ZINC001462580622 1182971355 /nfs/dbraw/zinc/97/13/55/1182971355.db2.gz UDXRLHIWXKOWEO-UHFFFAOYSA-N 1 0 312.413 3.273 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCOCC2CCCC2)cc1 ZINC001473610388 1183781166 /nfs/dbraw/zinc/78/11/66/1183781166.db2.gz NXUCPICTBZMDRQ-UHFFFAOYSA-N 1 0 320.477 3.270 20 10 DGCDRO Fc1ccccc1OCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001473920092 1183826752 /nfs/dbraw/zinc/82/67/52/1183826752.db2.gz FDNVLODWWBZGDF-UHFFFAOYSA-N 1 0 301.361 3.319 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc3ccccn23)cc1 ZINC001473940145 1183833610 /nfs/dbraw/zinc/83/36/10/1183833610.db2.gz QFIDENMPDKHKHN-UHFFFAOYSA-N 1 0 308.429 3.470 20 10 DGCDRO Oc1cccc(Cl)c1CN[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001474031727 1183855372 /nfs/dbraw/zinc/85/53/72/1183855372.db2.gz VCWGTQIRBMEGGO-AWEZNQCLSA-N 1 0 308.853 3.400 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001474313872 1183902623 /nfs/dbraw/zinc/90/26/23/1183902623.db2.gz GNSSRVJJPLZXSI-AWEZNQCLSA-N 1 0 308.853 3.353 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC([C@H]3CCCO3)CC2)c(O)c1 ZINC001474454397 1183924913 /nfs/dbraw/zinc/92/49/13/1183924913.db2.gz YPGNIGGTSRUARC-GOSISDBHSA-N 1 0 305.418 3.100 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC001474482242 1183929862 /nfs/dbraw/zinc/92/98/62/1183929862.db2.gz UMCJRQNLKVDMBG-SFHVURJKSA-N 1 0 303.377 3.478 20 10 DGCDRO COC(=O)CCCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001474505180 1183932876 /nfs/dbraw/zinc/93/28/76/1183932876.db2.gz OOXCSTCYWMFXOV-FPLPWBNLSA-N 1 0 304.434 3.089 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC2(c3ccccn3)CCC2)c(O)c1 ZINC001474509872 1183932923 /nfs/dbraw/zinc/93/29/23/1183932923.db2.gz YGTKAKVUCLOVDO-UHFFFAOYSA-N 1 0 312.413 3.316 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(C(C)C)ccc2O)C1 ZINC001474627865 1183952092 /nfs/dbraw/zinc/95/20/92/1183952092.db2.gz ZVSGPLUUPSKFHN-INIZCTEOSA-N 1 0 303.402 3.257 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1 ZINC001474671744 1183959569 /nfs/dbraw/zinc/95/95/69/1183959569.db2.gz ZYPUVZUOEJTJAH-QGZVFWFLSA-N 1 0 319.445 3.191 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](CO)c2cc(F)ccc2F)c1O ZINC001474750742 1183972410 /nfs/dbraw/zinc/97/24/10/1183972410.db2.gz WPKXAKDSTWBFOR-INIZCTEOSA-N 1 0 307.340 3.056 20 10 DGCDRO CC[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001479280648 1184226819 /nfs/dbraw/zinc/22/68/19/1184226819.db2.gz PTHBXSZXTHUDHU-RRQGHBQHSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C2CC2)cc1C ZINC001480758212 1184601211 /nfs/dbraw/zinc/60/12/11/1184601211.db2.gz LNOJASOTVMGIMR-GJZGRUSLSA-N 1 0 318.461 3.034 20 10 DGCDRO C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(C(=O)[O-])ccc1O ZINC001609774936 1193354979 /nfs/dbraw/zinc/35/49/79/1193354979.db2.gz DBDYUPWXEDCFJV-LBPRGKRZSA-N 1 0 320.433 3.004 20 10 DGCDRO C[NH2+]C1(CNC(=O)c2sccc2-n2c(C)ccc2C)CCC1 ZINC001611329814 1193430584 /nfs/dbraw/zinc/43/05/84/1193430584.db2.gz GVXBLTRXFSZHEX-UHFFFAOYSA-N 1 0 317.458 3.028 20 10 DGCDRO CCC[C@H](CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001539235060 1188183463 /nfs/dbraw/zinc/18/34/63/1188183463.db2.gz JXWCPMSPSRYDJQ-YJBOKZPZSA-N 1 0 319.493 3.298 20 10 DGCDRO CCC[C@@H](CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001539235046 1188183509 /nfs/dbraw/zinc/18/35/09/1188183509.db2.gz JXWCPMSPSRYDJQ-CRAIPNDOSA-N 1 0 319.493 3.298 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)CC[NH2+]C(C)(C)C)cc1F ZINC001616925093 1193552136 /nfs/dbraw/zinc/55/21/36/1193552136.db2.gz SHTBOWABQOLGPC-UHFFFAOYSA-N 1 0 323.456 3.066 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](CCC(=O)OC)CC(C)C)cc1 ZINC001559510118 1189211655 /nfs/dbraw/zinc/21/16/55/1189211655.db2.gz CBWGPEKZKRYQIB-UHFFFAOYSA-N 1 0 306.450 3.164 20 10 DGCDRO COc1ccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)cc1 ZINC001559966621 1189263667 /nfs/dbraw/zinc/26/36/67/1189263667.db2.gz GLVUYDYUGITXJC-UHFFFAOYSA-N 1 0 314.429 3.272 20 10 DGCDRO CN(C)c1ccc(/C=C\CNc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC001560310122 1189309500 /nfs/dbraw/zinc/30/95/00/1189309500.db2.gz JZWVNTHDUANGHE-ARJAWSKDSA-N 1 0 319.412 3.459 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cc1F ZINC001560555155 1189339860 /nfs/dbraw/zinc/33/98/60/1189339860.db2.gz COMKVUCMHBICQG-QMTHXVAHSA-N 1 0 322.346 3.073 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)c(Cl)c1 ZINC001560595433 1189345883 /nfs/dbraw/zinc/34/58/83/1189345883.db2.gz AVYFQIQHWUAIIG-QGZVFWFLSA-N 1 0 323.795 3.490 20 10 DGCDRO C[S@](=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001560611273 1189348249 /nfs/dbraw/zinc/34/82/49/1189348249.db2.gz SNBKSUQURJCFSD-NRJQMVOHSA-N 1 0 320.502 3.066 20 10 DGCDRO CSC[C@H]1CCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001560630102 1189351892 /nfs/dbraw/zinc/35/18/92/1189351892.db2.gz MWPPUHFPMONPPV-GFCCVEGCSA-N 1 0 300.418 3.358 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)Cc1ccccc1 ZINC001560843351 1189393452 /nfs/dbraw/zinc/39/34/52/1189393452.db2.gz XULNAHGIJNQGQX-MRXNPFEDSA-N 1 0 305.805 3.393 20 10 DGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001560880218 1189399905 /nfs/dbraw/zinc/39/99/05/1189399905.db2.gz CGLOKMOQCPEKRL-AWEZNQCLSA-N 1 0 312.404 3.422 20 10 DGCDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC001560890702 1189401172 /nfs/dbraw/zinc/40/11/72/1189401172.db2.gz ONENTSLGQRSSKN-OCCSQVGLSA-N 1 0 323.408 3.331 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)c(F)c1 ZINC001560913085 1189404331 /nfs/dbraw/zinc/40/43/31/1189404331.db2.gz HWGXCPUGICJCFN-UHFFFAOYSA-N 1 0 323.751 3.261 20 10 DGCDRO COC(=O)/C=C\c1ccc(C[NH2+][C@H](C)c2ccccc2O)o1 ZINC001560971482 1189412442 /nfs/dbraw/zinc/41/24/42/1189412442.db2.gz GRRJMBRWORUZJH-ZWLSGLHFSA-N 1 0 301.342 3.022 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001561004720 1189419484 /nfs/dbraw/zinc/41/94/84/1189419484.db2.gz TVGVLFHVZISORR-ZYHUDNBSSA-N 1 0 309.715 3.245 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2cccc(F)c2)cc1Cl ZINC001561014871 1189420488 /nfs/dbraw/zinc/42/04/88/1189420488.db2.gz FIQUPRUOOJCZTG-KRWDZBQOSA-N 1 0 323.795 3.490 20 10 DGCDRO CCCC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001569015282 1190608703 /nfs/dbraw/zinc/60/87/03/1190608703.db2.gz FLBJTSWIMMTCCL-OAHLLOKOSA-N 1 0 320.477 3.424 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)CC(C)C)C2CC2)cc1C ZINC001569293137 1190660847 /nfs/dbraw/zinc/66/08/47/1190660847.db2.gz UULBIRLMHUYEDG-QGZVFWFLSA-N 1 0 318.461 3.034 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC001620481894 1193771924 /nfs/dbraw/zinc/77/19/24/1193771924.db2.gz UZNKASBQMADKHY-PMACEKPBSA-N 1 0 310.441 3.451 20 10 DGCDRO CC(C)[NH+](CCNCc1cc(F)c(N(C)C)cc1F)C(C)C ZINC001620693457 1193792461 /nfs/dbraw/zinc/79/24/61/1193792461.db2.gz FQPULZWYPYFKLM-UHFFFAOYSA-N 1 0 313.436 3.239 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC001620714313 1193794157 /nfs/dbraw/zinc/79/41/57/1193794157.db2.gz JJVANCAPUVOUSF-MRXNPFEDSA-N 1 0 320.440 3.232 20 10 DGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C1(C)C ZINC001621122154 1193806162 /nfs/dbraw/zinc/80/61/62/1193806162.db2.gz UCTFKECKKBKKLU-IAGOWNOFSA-N 1 0 307.434 3.345 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c(O)c1 ZINC001621203122 1193816837 /nfs/dbraw/zinc/81/68/37/1193816837.db2.gz ZXPOPZNZTVWLTH-KRWDZBQOSA-N 1 0 305.418 3.100 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC001621408998 1193838306 /nfs/dbraw/zinc/83/83/06/1193838306.db2.gz OAENXTUKOYSXOW-TZMCWYRMSA-N 1 0 323.408 3.331 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H](C)[NH+](C)C ZINC001629042571 1194210859 /nfs/dbraw/zinc/21/08/59/1194210859.db2.gz NYLSGXPYPWZFRD-LBPRGKRZSA-N 1 0 319.474 3.226 20 10 DGCDRO COc1cc(C[NH2+]CCN2CCC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001647036522 1195242617 /nfs/dbraw/zinc/24/26/17/1195242617.db2.gz ZYQJAACRSDHQOB-AWEZNQCLSA-N 1 0 320.477 3.272 20 10 DGCDRO Cc1[nH+]c2cc(NCc3cc(F)cc(F)c3O)ccc2n1C ZINC001647040602 1195243095 /nfs/dbraw/zinc/24/30/95/1195243095.db2.gz RTZSOMQPODJEHO-UHFFFAOYSA-N 1 0 303.312 3.478 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC001650919128 1195395826 /nfs/dbraw/zinc/39/58/26/1195395826.db2.gz QZPDESGLUXIVPN-IEBWSBKVSA-N 1 0 300.446 3.334 20 10 DGCDRO C[C@H]1CC[C@](CO)([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC001651685038 1195496826 /nfs/dbraw/zinc/49/68/26/1195496826.db2.gz SYVKSAAPKZUASP-YCRPNKLZSA-N 1 0 323.436 3.496 20 10 DGCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001651723106 1195502946 /nfs/dbraw/zinc/50/29/46/1195502946.db2.gz RJNDDBCFPKWHQL-OAHLLOKOSA-N 1 0 307.434 3.001 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC001651731037 1195503011 /nfs/dbraw/zinc/50/30/11/1195503011.db2.gz MVCPJCVPVBQFSZ-INIZCTEOSA-N 1 0 305.418 3.243 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(Cl)cc1O ZINC001652182531 1195558755 /nfs/dbraw/zinc/55/87/55/1195558755.db2.gz YUOXBTGAHHLWSI-AWEZNQCLSA-N 1 0 309.793 3.376 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC(C)(C)CO2)c1O ZINC001653025449 1195681574 /nfs/dbraw/zinc/68/15/74/1195681574.db2.gz AWZNHJZZFMLKBL-CYBMUJFWSA-N 1 0 313.825 3.349 20 10 DGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001653222423 1195700436 /nfs/dbraw/zinc/70/04/36/1195700436.db2.gz TXWKUEWBNASIMN-GBESFXJTSA-N 1 0 303.494 3.380 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1 ZINC001655401474 1195912947 /nfs/dbraw/zinc/91/29/47/1195912947.db2.gz ZQHFDCXONAMVLD-FHWLQOOXSA-N 1 0 302.462 3.268 20 10 DGCDRO CN(CC[NH2+]Cc1ccc2c(c1)CCCO2)Cc1ccccc1 ZINC001655413326 1195914346 /nfs/dbraw/zinc/91/43/46/1195914346.db2.gz LNOGLBIGOFPEOH-UHFFFAOYSA-N 1 0 310.441 3.233 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2)cc1C ZINC001655526200 1195927951 /nfs/dbraw/zinc/92/79/51/1195927951.db2.gz DZFOUCLEYSYDPG-OAHLLOKOSA-N 1 0 301.434 3.406 20 10 DGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1(C)C ZINC001655985595 1195985354 /nfs/dbraw/zinc/98/53/54/1195985354.db2.gz PQFNBKUMNLDSAV-WATPVJRESA-N 1 0 302.462 3.415 20 10 DGCDRO CCOCc1cc(C[NH2+]CCN2CCC[C@H](C)C2)ccc1OC ZINC001656044882 1195991419 /nfs/dbraw/zinc/99/14/19/1195991419.db2.gz PODXPXUIJFOYKO-INIZCTEOSA-N 1 0 320.477 3.053 20 10 DGCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC001656195504 1196016488 /nfs/dbraw/zinc/01/64/88/1196016488.db2.gz VHGYOWJPILLGLJ-FQEVSTJZSA-N 1 0 324.468 3.228 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](CO)C(C)C ZINC001656292015 1196027499 /nfs/dbraw/zinc/02/74/99/1196027499.db2.gz OJYVDWSVEKZYHS-MAUKXSAKSA-N 1 0 310.457 3.270 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1c(C)c2ccccc2n1C)C(F)(F)F ZINC001657187963 1196117209 /nfs/dbraw/zinc/11/72/09/1196117209.db2.gz QTXFAJVBJQWALV-AWEZNQCLSA-N 1 0 300.324 3.154 20 10 DGCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657204393 1196117656 /nfs/dbraw/zinc/11/76/56/1196117656.db2.gz PDJHDRPRTJWARJ-DNVCBOLYSA-N 1 0 311.425 3.266 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCS1 ZINC001657448408 1196141811 /nfs/dbraw/zinc/14/18/11/1196141811.db2.gz FAUHZUSAZZXGAH-JTQLQIEISA-N 1 0 316.264 3.482 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC001657921110 1196193754 /nfs/dbraw/zinc/19/37/54/1196193754.db2.gz PDBDKSHZDRKEGH-KXBFYZLASA-N 1 0 319.445 3.286 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)NC(=O)OC(C)(C)C ZINC001657983140 1196199117 /nfs/dbraw/zinc/19/91/17/1196199117.db2.gz WJEABUJPXHAHQZ-JTQLQIEISA-N 1 0 314.813 3.048 20 10 DGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001658102532 1196212141 /nfs/dbraw/zinc/21/21/41/1196212141.db2.gz RNTSQRAEJWNFIR-JKSUJKDBSA-N 1 0 310.388 3.078 20 10 DGCDRO CC(C)c1ccc(O)c(CN(C)Cc2nncn2C(C)C)c1 ZINC001658163075 1196219460 /nfs/dbraw/zinc/21/94/60/1196219460.db2.gz KEJLCQPZCQAHMQ-UHFFFAOYSA-N 1 0 302.422 3.320 20 10 DGCDRO OC[C@]1(C[NH2+]Cc2ccc(Cl)cc2O)C[C@H]1c1ccccc1 ZINC001658225626 1196227447 /nfs/dbraw/zinc/22/74/47/1196227447.db2.gz DDTYOACOXHGBMC-FUHWJXTLSA-N 1 0 317.816 3.301 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1 ZINC001658272816 1196233948 /nfs/dbraw/zinc/23/39/48/1196233948.db2.gz AAQUDNCOVPHXDF-KRWDZBQOSA-N 1 0 303.494 3.495 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)cc1C ZINC001658315453 1196240227 /nfs/dbraw/zinc/24/02/27/1196240227.db2.gz POTYOLBZQCCSOF-INIZCTEOSA-N 1 0 301.361 3.236 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)cc1F ZINC001658367091 1196246850 /nfs/dbraw/zinc/24/68/50/1196246850.db2.gz CQBIYNLHTAIMJP-ZWKOTPCHSA-N 1 0 306.425 3.329 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cc1C ZINC001658414938 1196252869 /nfs/dbraw/zinc/25/28/69/1196252869.db2.gz FJIYHXSXWMPSEZ-FZMZJTMJSA-N 1 0 305.340 3.185 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC001658414088 1196253421 /nfs/dbraw/zinc/25/34/21/1196253421.db2.gz DFHDROZKYDDHKA-UHFFFAOYSA-N 1 0 311.259 3.143 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC001658648814 1196284611 /nfs/dbraw/zinc/28/46/11/1196284611.db2.gz IWRBLJWFYIDNOT-RBUKOAKNSA-N 1 0 302.462 3.498 20 10 DGCDRO CCCn1cncc1C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001658695374 1196289039 /nfs/dbraw/zinc/28/90/39/1196289039.db2.gz LLGRMWVSNRAWIJ-UHFFFAOYSA-N 1 0 300.450 3.381 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)cc1F ZINC001658690652 1196289438 /nfs/dbraw/zinc/28/94/38/1196289438.db2.gz ZERXUAZEYILYJD-OAHLLOKOSA-N 1 0 306.425 3.473 20 10 DGCDRO CC(=O)OC[C@@H](C)[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC001658705172 1196290033 /nfs/dbraw/zinc/29/00/33/1196290033.db2.gz YNOYCHZQIUZRIF-CQSZACIVSA-N 1 0 314.429 3.444 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCC[C@H]2CCCCO2)c1O ZINC001658753338 1196296812 /nfs/dbraw/zinc/29/68/12/1196296812.db2.gz RCGGYZFYPCBYJQ-CQSZACIVSA-N 1 0 313.825 3.493 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)[C@H](CC)CN1C(C)=O ZINC001658833395 1196307108 /nfs/dbraw/zinc/30/71/08/1196307108.db2.gz QYOFHZULHCUOQY-HZPDHXFCSA-N 1 0 324.852 3.267 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c(O)c1 ZINC001658993056 1196329631 /nfs/dbraw/zinc/32/96/31/1196329631.db2.gz YTWSVVMNBPMAET-UHFFFAOYSA-N 1 0 319.788 3.279 20 10 DGCDRO CCOC(=O)[C@@H]1CCCCN1Cc1cc(C(C)C)ccc1O ZINC001659002667 1196330699 /nfs/dbraw/zinc/33/06/99/1196330699.db2.gz LXZQZWWUXGICPU-INIZCTEOSA-N 1 0 305.418 3.433 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC001659471883 1196386357 /nfs/dbraw/zinc/38/63/57/1196386357.db2.gz LOOGOVJGWCLFCY-CQSZACIVSA-N 1 0 324.428 3.318 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC001659471878 1196386678 /nfs/dbraw/zinc/38/66/78/1196386678.db2.gz LOOGOVJGWCLFCY-AWEZNQCLSA-N 1 0 324.428 3.318 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC001659498066 1196389057 /nfs/dbraw/zinc/38/90/57/1196389057.db2.gz RRDHYCVULICBBW-ZDUSSCGKSA-N 1 0 306.450 3.251 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1 ZINC001659535426 1196392808 /nfs/dbraw/zinc/39/28/08/1196392808.db2.gz WUSRDMMFMXFAGV-SFHVURJKSA-N 1 0 318.461 3.252 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCCN2CC(F)F)c1 ZINC001659664557 1196404180 /nfs/dbraw/zinc/40/41/80/1196404180.db2.gz JIDBUROOJNZRDW-OAHLLOKOSA-N 1 0 312.404 3.335 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1cc(F)ccc1F ZINC001659815502 1196417701 /nfs/dbraw/zinc/41/77/01/1196417701.db2.gz LCMVRVLTQCLJGL-QWRGUYRKSA-N 1 0 320.339 3.348 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)c1 ZINC001660004489 1196436646 /nfs/dbraw/zinc/43/66/46/1196436646.db2.gz WRZZQMZZMCQQKT-IAGOWNOFSA-N 1 0 320.502 3.185 20 10 DGCDRO COC(=O)[C@H](C[NH2+]Cc1ccc(C)cc1O)CC1CCCC1 ZINC001660178724 1196454387 /nfs/dbraw/zinc/45/43/87/1196454387.db2.gz SIINVZSRUHPHTR-INIZCTEOSA-N 1 0 305.418 3.160 20 10 DGCDRO CC1=CC[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001660178930 1196454672 /nfs/dbraw/zinc/45/46/72/1196454672.db2.gz YWATTWPTAKFEQY-PKOBYXMFSA-N 1 0 301.478 3.444 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC(C(=O)OC(C)C)CC2)cc1 ZINC001660224870 1196459241 /nfs/dbraw/zinc/45/92/41/1196459241.db2.gz VNYYXEPDYWRKAO-UHFFFAOYSA-N 1 0 318.461 3.306 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC001660697308 1196513565 /nfs/dbraw/zinc/51/35/65/1196513565.db2.gz QXSGRMUEIJZXKO-AWEZNQCLSA-N 1 0 313.731 3.147 20 10 DGCDRO Cc1noc(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC001661363471 1196598912 /nfs/dbraw/zinc/59/89/12/1196598912.db2.gz QGYYYIVOYZAGPM-UHFFFAOYSA-N 1 0 314.433 3.091 20 10 DGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001661507928 1196613277 /nfs/dbraw/zinc/61/32/77/1196613277.db2.gz UXIALTBEZYMTQL-GJZGRUSLSA-N 1 0 307.457 3.102 20 10 DGCDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001661847944 1196651063 /nfs/dbraw/zinc/65/10/63/1196651063.db2.gz FCSZCKIAYBWVRG-OXQOHEQNSA-N 1 0 313.489 3.249 20 10 DGCDRO Fc1cccc(NCCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001662034632 1196676349 /nfs/dbraw/zinc/67/63/49/1196676349.db2.gz LEVIZTBZNJIYDI-UHFFFAOYSA-N 1 0 300.377 3.352 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)C(C)(C)C)cc1C ZINC001662263151 1196700311 /nfs/dbraw/zinc/70/03/11/1196700311.db2.gz PTYOCWNIKBOZGN-GJZGRUSLSA-N 1 0 320.477 3.280 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC001662857327 1196762859 /nfs/dbraw/zinc/76/28/59/1196762859.db2.gz LZNMCKDUOBKVJI-UHFFFAOYSA-N 1 0 317.698 3.144 20 10 DGCDRO CC1(C)CCN(CC[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001663436979 1196868417 /nfs/dbraw/zinc/86/84/17/1196868417.db2.gz DPKKRZAIDNNMIJ-UHFFFAOYSA-N 1 0 301.478 3.108 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)c(C(F)(F)F)c1 ZINC001663504282 1196888628 /nfs/dbraw/zinc/88/86/28/1196888628.db2.gz LVLFQHCLALUFGE-NWANDNLSSA-N 1 0 314.351 3.181 20 10 DGCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C(C)C)ccc1O)CC2 ZINC001663617092 1196914894 /nfs/dbraw/zinc/91/48/94/1196914894.db2.gz CIUXBRWIEBPOOC-INIZCTEOSA-N 1 0 317.429 3.291 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)c(O)c1 ZINC001663919709 1196957759 /nfs/dbraw/zinc/95/77/59/1196957759.db2.gz DHIZERGEJBLKSS-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC001664566604 1197014600 /nfs/dbraw/zinc/01/46/00/1197014600.db2.gz MTQQIQRJFLTXNY-SFHVURJKSA-N 1 0 303.494 3.271 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@H+](C)Cc2ccc(C(N)=O)cc2)c1 ZINC001664630735 1197024379 /nfs/dbraw/zinc/02/43/79/1197024379.db2.gz OFSVCXDRFVMGBI-UHFFFAOYSA-N 1 0 312.413 3.247 20 10 DGCDRO OC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001665688356 1197171983 /nfs/dbraw/zinc/17/19/83/1197171983.db2.gz QALCQACZBVIITQ-MRXNPFEDSA-N 1 0 305.805 3.129 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccc(F)cc1 ZINC001665890809 1197212012 /nfs/dbraw/zinc/21/20/12/1197212012.db2.gz OOAOLCHQKOFOIB-INIZCTEOSA-N 1 0 319.376 3.326 20 10 DGCDRO C[C@@](CO)([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000322491462 1197687864 /nfs/dbraw/zinc/68/78/64/1197687864.db2.gz OVEMVZLIEBWLLH-FQEVSTJZSA-N 1 0 310.441 3.284 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC2CC2)cc1C ZINC001674647267 1197819158 /nfs/dbraw/zinc/81/91/58/1197819158.db2.gz NUFZRQOITSVFKK-LSDHHAIUSA-N 1 0 318.461 3.177 20 10 DGCDRO CC/C=C(/C)C(=O)N(CC)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001754036631 1200081233 /nfs/dbraw/zinc/08/12/33/1200081233.db2.gz XTINLPQWXSRCJI-NVNXTCNLSA-N 1 0 318.461 3.298 20 10 DGCDRO O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)C[NH2+]CC2 ZINC000120981934 1200186941 /nfs/dbraw/zinc/18/69/41/1200186941.db2.gz WEGNAAXIPWYEQH-UHFFFAOYSA-N 1 0 321.424 3.185 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C(C)C)cc1C ZINC001755606522 1200985227 /nfs/dbraw/zinc/98/52/27/1200985227.db2.gz LGCDCHNQAJZFMU-HOTGVXAUSA-N 1 0 320.477 3.232 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn2c[nH+]cc2c1 ZINC000131510527 1201154748 /nfs/dbraw/zinc/15/47/48/1201154748.db2.gz WIADLIJUDMEODF-UHFFFAOYSA-N 1 0 322.412 3.063 20 10 DGCDRO CC[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699083134 1201708307 /nfs/dbraw/zinc/70/83/07/1201708307.db2.gz YZJIYZPWOBLKGI-HIFRSBDPSA-N 1 0 306.450 3.034 20 10 DGCDRO C=C/C(C)=C/CC(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699373532 1201819758 /nfs/dbraw/zinc/81/97/58/1201819758.db2.gz GUIWXILMZNYIIK-SNQWNFELSA-N 1 0 316.445 3.120 20 10 DGCDRO CCC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700763713 1202350092 /nfs/dbraw/zinc/35/00/92/1202350092.db2.gz HOERHFFJXOTYMB-OAHLLOKOSA-N 1 0 320.477 3.376 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC(C)(C)C)C2)cc1C ZINC001713186387 1202625149 /nfs/dbraw/zinc/62/51/49/1202625149.db2.gz RSDSBBHZCIVOMN-IYBDPMFKSA-N 1 0 318.461 3.177 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C2(C)CCC2)cc1C ZINC001714485480 1202956806 /nfs/dbraw/zinc/95/68/06/1202956806.db2.gz TVJNVALZOKQPNH-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC2CCCC2)cc1C ZINC001716386919 1203464297 /nfs/dbraw/zinc/46/42/97/1203464297.db2.gz DUTMTOIGLDYJML-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000165048380 1203731089 /nfs/dbraw/zinc/73/10/89/1203731089.db2.gz YNCATTKFEWRDBZ-OAHLLOKOSA-N 1 0 313.397 3.463 20 10 DGCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C=C(C)C)C2)cc1C ZINC001725772280 1204218554 /nfs/dbraw/zinc/21/85/54/1204218554.db2.gz PVDXCMYBNOVPME-UHFFFAOYSA-N 1 0 316.445 3.049 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2=CCCC2)cc1C ZINC001732686000 1204929342 /nfs/dbraw/zinc/92/93/42/1204929342.db2.gz LYPODTZJHRBJPC-HNNXBMFYSA-N 1 0 316.445 3.098 20 10 DGCDRO CC/C=C(\C)C(=O)N(C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001733090755 1205022746 /nfs/dbraw/zinc/02/27/46/1205022746.db2.gz YQMKREQRIBJROM-OVCLIPMQSA-N 1 0 318.461 3.298 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001169665448 1081623508 /nfs/dbraw/zinc/62/35/08/1081623508.db2.gz YXDOQTGEOAOXMJ-INIZCTEOSA-N 1 0 320.433 3.104 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@H](C)C(F)(F)F)CC2)cc1 ZINC001208884556 1081659245 /nfs/dbraw/zinc/65/92/45/1081659245.db2.gz AGCGWGLAVJTWCD-LBPRGKRZSA-N 1 0 302.340 3.016 20 10 DGCDRO Cc1cnc(C[NH2+]Cc2ccc(Br)cc2O)s1 ZINC000691439269 1081715750 /nfs/dbraw/zinc/71/57/50/1081715750.db2.gz CTWSQJWTWPZJDR-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000691476515 1081867629 /nfs/dbraw/zinc/86/76/29/1081867629.db2.gz KMXBPKKMELTOAB-ZDUSSCGKSA-N 1 0 314.223 3.204 20 10 DGCDRO CC(C)Oc1ncccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001648808541 1081912650 /nfs/dbraw/zinc/91/26/50/1081912650.db2.gz UFTUSQFPGZMJCA-UHFFFAOYSA-N 1 0 317.408 3.364 20 10 DGCDRO CCC(CC)(CO)C[NH2+]Cc1ccc(Br)cc1O ZINC000691487749 1081923278 /nfs/dbraw/zinc/92/32/78/1081923278.db2.gz IXIRXBMRBZDDHR-UHFFFAOYSA-N 1 0 316.239 3.043 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2nonc21 ZINC001203142485 1081932631 /nfs/dbraw/zinc/93/26/31/1081932631.db2.gz JMGHCFLMFQKJHI-UHFFFAOYSA-N 1 0 310.401 3.311 20 10 DGCDRO Cc1cc(F)ccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001648882314 1081953053 /nfs/dbraw/zinc/95/30/53/1081953053.db2.gz HMHWLNGYCJJWFK-UHFFFAOYSA-N 1 0 313.420 3.498 20 10 DGCDRO CCOc1c(F)cc(N(C)C(C)(C)C[NH3+])cc1C(F)(F)F ZINC001170060082 1081971394 /nfs/dbraw/zinc/97/13/94/1081971394.db2.gz FVFHPXCDNUGUQZ-UHFFFAOYSA-N 1 0 308.319 3.417 20 10 DGCDRO CCC[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266583251 1082034352 /nfs/dbraw/zinc/03/43/52/1082034352.db2.gz RLVSEAFXTFREHI-KBRIMQKVSA-N 1 0 318.461 3.177 20 10 DGCDRO Cn1c[nH+]cc1Nc1ccc(OCCOc2ccc(N)cc2)cc1 ZINC001211251680 1082098985 /nfs/dbraw/zinc/09/89/85/1082098985.db2.gz MGNGMKQFAKAXNO-UHFFFAOYSA-N 1 0 324.384 3.204 20 10 DGCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140468517 1082292508 /nfs/dbraw/zinc/29/25/08/1082292508.db2.gz NOGSSQJEQKOTFA-CYBMUJFWSA-N 1 0 311.809 3.211 20 10 DGCDRO CCC(C)(CC)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266995143 1082416457 /nfs/dbraw/zinc/41/64/57/1082416457.db2.gz CGMNXCHTBZEZGA-OAHLLOKOSA-N 1 0 320.477 3.424 20 10 DGCDRO CCC[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001267008030 1082427563 /nfs/dbraw/zinc/42/75/63/1082427563.db2.gz YRJKGKWLEITVPN-YOEHRIQHSA-N 1 0 318.461 3.130 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)ccc1N(C)C ZINC001170442898 1082455413 /nfs/dbraw/zinc/45/54/13/1082455413.db2.gz LCUDJMSVZWHMDE-PKOBYXMFSA-N 1 0 306.494 3.440 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)C2CCC2)cc1C ZINC001131948653 1082774903 /nfs/dbraw/zinc/77/49/03/1082774903.db2.gz PWOBQCAPSNIPPL-UHFFFAOYSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC2(C)C)cc1C ZINC001132544043 1082938170 /nfs/dbraw/zinc/93/81/70/1082938170.db2.gz OWMAHORZPFMFNK-INIZCTEOSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(O)c(C)c2O)cc1OC ZINC001140745364 1082958154 /nfs/dbraw/zinc/95/81/54/1082958154.db2.gz HDPVSKPNISTOQY-UHFFFAOYSA-N 1 0 317.385 3.055 20 10 DGCDRO Oc1ccc(CC[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)cc1O ZINC001170665609 1083066507 /nfs/dbraw/zinc/06/65/07/1083066507.db2.gz NIBSKCVYEFLYCD-AWEZNQCLSA-N 1 0 319.351 3.066 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC(C)(C)C2)cc1C ZINC001133536657 1083144723 /nfs/dbraw/zinc/14/47/23/1083144723.db2.gz BBUAGALVLGMJNL-INIZCTEOSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(C)C)cc1C ZINC001133591354 1083159101 /nfs/dbraw/zinc/15/91/01/1083159101.db2.gz VQVISDJWQAWAKI-HOTGVXAUSA-N 1 0 320.477 3.423 20 10 DGCDRO CCC(C)(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134681971 1083322099 /nfs/dbraw/zinc/32/20/99/1083322099.db2.gz OYSJPTNYHNYDIZ-KRWDZBQOSA-N 1 0 319.493 3.298 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC(=O)Nc2cccc(F)c2)cc1Cl ZINC001181543282 1083488355 /nfs/dbraw/zinc/48/83/55/1083488355.db2.gz BSQQNEZSHWAACL-UHFFFAOYSA-N 1 0 322.767 3.221 20 10 DGCDRO Cc1ccc(C[NH2+]CCc2ccc3c(c2)OC(F)(F)O3)c(O)c1 ZINC001182666669 1083770321 /nfs/dbraw/zinc/77/03/21/1083770321.db2.gz PWFNMYOYGCVARC-UHFFFAOYSA-N 1 0 321.323 3.354 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1 ZINC001183023358 1083862126 /nfs/dbraw/zinc/86/21/26/1083862126.db2.gz GHSHMOJABFXMSZ-LJQANCHMSA-N 1 0 321.461 3.173 20 10 DGCDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203561029 1083903012 /nfs/dbraw/zinc/90/30/12/1083903012.db2.gz KPSCWMUHYXKJCW-MRXNPFEDSA-N 1 0 317.429 3.338 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1 ZINC001183877864 1084048757 /nfs/dbraw/zinc/04/87/57/1084048757.db2.gz WFECZFQSYQSIHU-UHFFFAOYSA-N 1 0 304.434 3.006 20 10 DGCDRO COc1ccc(C[N@@H+]2CCc3ccsc3C2)c(O)c1OC ZINC001184134893 1084103889 /nfs/dbraw/zinc/10/38/89/1084103889.db2.gz JKXYUASFKMMTHC-UHFFFAOYSA-N 1 0 305.399 3.029 20 10 DGCDRO COc1cc(C)c(C[NH2+]CCCOc2cccc(F)c2)c(O)c1 ZINC001184206263 1084124906 /nfs/dbraw/zinc/12/49/06/1084124906.db2.gz KCQLASQABNKXEV-UHFFFAOYSA-N 1 0 319.376 3.407 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]CCN(C)C(=O)OC)cc1 ZINC001203144237 1084299898 /nfs/dbraw/zinc/29/98/98/1084299898.db2.gz KFPSVWUKZXJTDV-UHFFFAOYSA-N 1 0 321.465 3.101 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203650977 1084731804 /nfs/dbraw/zinc/73/18/04/1084731804.db2.gz HLEMILXUEFFHHG-LBPRGKRZSA-N 1 0 311.809 3.211 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001203651378 1084743447 /nfs/dbraw/zinc/74/34/47/1084743447.db2.gz MZADGBQWHUAPFL-ZDUSSCGKSA-N 1 0 323.742 3.325 20 10 DGCDRO CC[C@H](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482275734 1085755143 /nfs/dbraw/zinc/75/51/43/1085755143.db2.gz MKMUSMLKGHVTHV-GOEBONIOSA-N 1 0 320.477 3.376 20 10 DGCDRO CC[C@H](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482275735 1085755510 /nfs/dbraw/zinc/75/55/10/1085755510.db2.gz MKMUSMLKGHVTHV-HOCLYGCPSA-N 1 0 320.477 3.376 20 10 DGCDRO Oc1cc(O)c(CCNc2cccc(C3=[NH+]CCC3)c2)cc1O ZINC001168013816 1086260150 /nfs/dbraw/zinc/26/01/50/1086260150.db2.gz KOZBJSYMDNPUGD-UHFFFAOYSA-N 1 0 312.369 3.041 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCSCC(F)(F)F)c1 ZINC000698957533 1087713424 /nfs/dbraw/zinc/71/34/24/1087713424.db2.gz OLKCGDWSJPEWOY-VIFPVBQESA-N 1 0 309.353 3.347 20 10 DGCDRO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)ccc2O)C1=O ZINC001272623074 1088332909 /nfs/dbraw/zinc/33/29/09/1088332909.db2.gz WKRUGWUKXZIRMY-LJQANCHMSA-N 1 0 316.445 3.068 20 10 DGCDRO O=C(c1ccccn1)c1cc(Cl)ccc1NC1=CC[NH2+]CC1 ZINC001160005461 1088597179 /nfs/dbraw/zinc/59/71/79/1088597179.db2.gz HAXRBGVWZPNQLR-UHFFFAOYSA-N 1 0 313.788 3.255 20 10 DGCDRO C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC001154667936 1088701152 /nfs/dbraw/zinc/70/11/52/1088701152.db2.gz AEBBDNCMSHANOY-QILLFSRXSA-N 1 0 317.477 3.050 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[NH2+]C[C@H]3C)n2)cc1 ZINC001212327004 1089508746 /nfs/dbraw/zinc/50/87/46/1089508746.db2.gz FZGOXPKQOOSPAW-SJKOYZFVSA-N 1 0 322.412 3.467 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C)cc1C ZINC001485213803 1090035120 /nfs/dbraw/zinc/03/51/20/1090035120.db2.gz CCRRAVYUPHEBSD-KGLIPLIRSA-N 1 0 306.450 3.033 20 10 DGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C(C)C)CC2)cc1C ZINC001163476343 1090195121 /nfs/dbraw/zinc/19/51/21/1090195121.db2.gz KOBQFTJBNNLJLM-UHFFFAOYSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1cc(OC(F)(F)F)ccc1N(CCC[NH3+])C(C)C ZINC001164128974 1090350922 /nfs/dbraw/zinc/35/09/22/1090350922.db2.gz RJJAATPJIAJVGX-UHFFFAOYSA-N 1 0 306.328 3.157 20 10 DGCDRO CC(C)N(CCC[NH3+])c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001164127596 1090350167 /nfs/dbraw/zinc/35/01/67/1090350167.db2.gz ZTBGFVATZWPNPS-UHFFFAOYSA-N 1 0 321.299 3.057 20 10 DGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC001203555748 1090598183 /nfs/dbraw/zinc/59/81/83/1090598183.db2.gz GZWRSWOBXHJRMF-HNNXBMFYSA-N 1 0 320.433 3.271 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccnn2-c2ccccc2C)c1 ZINC001206715288 1090606789 /nfs/dbraw/zinc/60/67/89/1090606789.db2.gz PUGZFWKTLOQGLF-UHFFFAOYSA-N 1 0 307.397 3.485 20 10 DGCDRO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1O ZINC001203555707 1090754469 /nfs/dbraw/zinc/75/44/69/1090754469.db2.gz CQFIGTMSOJSVEL-UKRRQHHQSA-N 1 0 320.433 3.270 20 10 DGCDRO COc1cccc(CC[N@H+](C)Cc2cccc(OC)c2O)c1 ZINC001203596877 1090764565 /nfs/dbraw/zinc/76/45/65/1090764565.db2.gz QWCSWJKQYDVVHW-UHFFFAOYSA-N 1 0 301.386 3.084 20 10 DGCDRO COc1cccc(C[NH+]2CCC3(CCC(=O)CC3)CC2)c1O ZINC001203600233 1090765376 /nfs/dbraw/zinc/76/53/76/1090765376.db2.gz YJAQYWKVBRDEFU-UHFFFAOYSA-N 1 0 303.402 3.126 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c1O ZINC001203609013 1090766539 /nfs/dbraw/zinc/76/65/39/1090766539.db2.gz GBTVZLVNZSLDRN-KRWDZBQOSA-N 1 0 312.413 3.393 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3C)C2)c(O)c1 ZINC001203628903 1090769422 /nfs/dbraw/zinc/76/94/22/1090769422.db2.gz KGCUZZVDKBWRKA-KRWDZBQOSA-N 1 0 313.397 3.363 20 10 DGCDRO C[N@H+](Cc1cnc2ccccn12)Cc1cc(Cl)ccc1O ZINC001203651453 1090773460 /nfs/dbraw/zinc/77/34/60/1090773460.db2.gz PBXHFMSYFSLDPI-UHFFFAOYSA-N 1 0 301.777 3.325 20 10 DGCDRO CC[C@H]1[N@H+](Cc2cc(Cl)ccc2O)CCC[C@]12CCC(=O)N2 ZINC001203657372 1090774759 /nfs/dbraw/zinc/77/47/59/1090774759.db2.gz DAPWPNDUSPBPLE-WBVHZDCISA-N 1 0 322.836 3.069 20 10 DGCDRO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203657983 1090774771 /nfs/dbraw/zinc/77/47/71/1090774771.db2.gz PMZQUYBJZXRQGT-KRWDZBQOSA-N 1 0 322.836 3.023 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1 ZINC001203675151 1090778269 /nfs/dbraw/zinc/77/82/69/1090778269.db2.gz OYUUCRVOQKTANL-QGZVFWFLSA-N 1 0 317.360 3.193 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCc3ccc(OC)cc3C2)c1 ZINC001203681412 1090779625 /nfs/dbraw/zinc/77/96/25/1090779625.db2.gz WPTGWJIBPMVOGC-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO CCCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001486189982 1090782728 /nfs/dbraw/zinc/78/27/28/1090782728.db2.gz FOTIVJGYBFMZGV-DLBZAZTESA-N 1 0 318.461 3.178 20 10 DGCDRO Cc1cccnc1N1CCC[N@@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203934695 1090842726 /nfs/dbraw/zinc/84/27/26/1090842726.db2.gz ZEQCQGGTBIFBQT-UHFFFAOYSA-N 1 0 324.472 3.168 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ccncc3)CC2)cc1 ZINC001203931194 1090843348 /nfs/dbraw/zinc/84/33/48/1090843348.db2.gz ODBSAEKKEMYYGQ-UHFFFAOYSA-N 1 0 311.429 3.191 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)cc1 ZINC001203942151 1090845005 /nfs/dbraw/zinc/84/50/05/1090845005.db2.gz LPIKGKYUEIMFNZ-UHFFFAOYSA-N 1 0 319.468 3.151 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001203970157 1090853803 /nfs/dbraw/zinc/85/38/03/1090853803.db2.gz NNVZCCKCMXDFNX-UHFFFAOYSA-N 1 0 313.397 3.445 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC001204017724 1090871112 /nfs/dbraw/zinc/87/11/12/1090871112.db2.gz YJHQUDFIQPPDPM-UHFFFAOYSA-N 1 0 302.443 3.387 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c2ccccc21 ZINC001204232359 1090929641 /nfs/dbraw/zinc/92/96/41/1090929641.db2.gz BFRCPFJEHSGOCD-IEBWSBKVSA-N 1 0 316.420 3.201 20 10 DGCDRO CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@@H]1F ZINC001204233979 1090930290 /nfs/dbraw/zinc/93/02/90/1090930290.db2.gz VRWWRUMYAIKBSA-FUHWJXTLSA-N 1 0 302.393 3.075 20 10 DGCDRO CC(C)[NH+]1CCN(Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204232858 1090930691 /nfs/dbraw/zinc/93/06/91/1090930691.db2.gz KOGXRFOXFRXGCO-UHFFFAOYSA-N 1 0 311.473 3.432 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c3ccccc23)[C@H]1CO ZINC001204233121 1090930758 /nfs/dbraw/zinc/93/07/58/1090930758.db2.gz NOLWQCWDKPYPCK-YWZLYKJASA-N 1 0 312.457 3.499 20 10 DGCDRO CCN1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)[C@H](C)C1 ZINC001204240959 1090932778 /nfs/dbraw/zinc/93/27/78/1090932778.db2.gz NJFOSFKUERXPRK-MRXNPFEDSA-N 1 0 311.473 3.432 20 10 DGCDRO Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204274663 1090938326 /nfs/dbraw/zinc/93/83/26/1090938326.db2.gz FGPVNSFYTNHMTD-KRWDZBQOSA-N 1 0 313.397 3.450 20 10 DGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)c(O)c1 ZINC001204279003 1090938938 /nfs/dbraw/zinc/93/89/38/1090938938.db2.gz NQVRLDDATCZGEW-GOSISDBHSA-N 1 0 313.397 3.279 20 10 DGCDRO c1ccc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC001204319762 1090948254 /nfs/dbraw/zinc/94/82/54/1090948254.db2.gz GXZCTWQXAWSOMV-UHFFFAOYSA-N 1 0 322.456 3.004 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001204327379 1090949162 /nfs/dbraw/zinc/94/91/62/1090949162.db2.gz RPFOWQZPPNNUSB-HXUWFJFHSA-N 1 0 313.489 3.347 20 10 DGCDRO c1cnc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)cn1 ZINC001204327575 1090950681 /nfs/dbraw/zinc/95/06/81/1090950681.db2.gz ZLEHBUNGPZWLIS-IBGZPJMESA-N 1 0 308.429 3.414 20 10 DGCDRO CCOCCOC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001204411262 1090963774 /nfs/dbraw/zinc/96/37/74/1090963774.db2.gz MJYCYHSOYKBWJE-UHFFFAOYSA-N 1 0 313.825 3.063 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](CCCO)CC(C)(C)C)cc1F ZINC001204460982 1090974825 /nfs/dbraw/zinc/97/48/25/1090974825.db2.gz PGHFOQWTUGUJRL-UHFFFAOYSA-N 1 0 314.420 3.261 20 10 DGCDRO OC[C@]1(F)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138215600 1091118028 /nfs/dbraw/zinc/11/80/28/1091118028.db2.gz LAEQESIFVVKQMK-IBGZPJMESA-N 1 0 320.452 3.363 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CCC1=O ZINC001138215796 1091118158 /nfs/dbraw/zinc/11/81/58/1091118158.db2.gz VSAHTNHOLSNWHH-MRXNPFEDSA-N 1 0 300.446 3.478 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCCC1=O ZINC001138215516 1091118601 /nfs/dbraw/zinc/11/86/01/1091118601.db2.gz IHFDVWHCCUERSI-MRXNPFEDSA-N 1 0 300.446 3.478 20 10 DGCDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]12 ZINC001138221089 1091119654 /nfs/dbraw/zinc/11/96/54/1091119654.db2.gz YWOPAMAYFRDXKO-ATZDWAIDSA-N 1 0 300.446 3.144 20 10 DGCDRO Cc1c(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c2ccccc2n1C ZINC001138253008 1091126007 /nfs/dbraw/zinc/12/60/07/1091126007.db2.gz ZCNXIJFWOCVCHM-IBGZPJMESA-N 1 0 300.446 3.470 20 10 DGCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138256650 1091126052 /nfs/dbraw/zinc/12/60/52/1091126052.db2.gz FISHRFFFONNIFO-HIFRSBDPSA-N 1 0 314.429 3.260 20 10 DGCDRO Cc1c(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001138252582 1091126551 /nfs/dbraw/zinc/12/65/51/1091126551.db2.gz MMZDVRCUIPQWRR-AUUYWEPGSA-N 1 0 300.446 3.470 20 10 DGCDRO Cc1c(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c2ccccc2n1C ZINC001138258461 1091127935 /nfs/dbraw/zinc/12/79/35/1091127935.db2.gz SKIDRFYHYNTMFH-UHFFFAOYSA-N 1 0 321.424 3.188 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CCC4(CCOC4)CC3)ccc21 ZINC001138354421 1091150545 /nfs/dbraw/zinc/15/05/45/1091150545.db2.gz JFQYXYNTMQUAKJ-UHFFFAOYSA-N 1 0 300.446 3.072 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@]4(C3)CC(F)(F)CO4)ccc21 ZINC001138356291 1091150586 /nfs/dbraw/zinc/15/05/86/1091150586.db2.gz JPMCPTARSDCEFM-KRWDZBQOSA-N 1 0 322.399 3.069 20 10 DGCDRO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCN4C)C[C@@H]21 ZINC001138356220 1091150825 /nfs/dbraw/zinc/15/08/25/1091150825.db2.gz FXAXLWJXNWYADZ-HBFSDRIKSA-N 1 0 314.473 3.316 20 10 DGCDRO CC(C)[N@H+](CCCCCO)Cc1ccc2c(c1)CCCN2C ZINC001138359211 1091151644 /nfs/dbraw/zinc/15/16/44/1091151644.db2.gz NQICUBLKFOPQIZ-UHFFFAOYSA-N 1 0 304.478 3.442 20 10 DGCDRO COc1cc(C)c(C[NH2+]CCC2CCC(OC)CC2)c(O)c1 ZINC001205277676 1091160085 /nfs/dbraw/zinc/16/00/85/1091160085.db2.gz SQBOUDOJIHSDJK-UHFFFAOYSA-N 1 0 307.434 3.394 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@](C)(O)C2)c(OC)c1 ZINC001138385912 1091161485 /nfs/dbraw/zinc/16/14/85/1091161485.db2.gz DCOONVGDYXYGMJ-IBGZPJMESA-N 1 0 320.477 3.278 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c(OC)c1 ZINC001138386872 1091163793 /nfs/dbraw/zinc/16/37/93/1091163793.db2.gz YPWRARRKIDNKPF-DNVCBOLYSA-N 1 0 320.477 3.134 20 10 DGCDRO CN(C[C@@]1(C)CCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC001205285099 1091163840 /nfs/dbraw/zinc/16/38/40/1091163840.db2.gz XPKBAGMBOBPDOK-QGZVFWFLSA-N 1 0 308.491 3.349 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC([C@@H](C)OC)C2)c(OC)c1 ZINC001138391533 1091165162 /nfs/dbraw/zinc/16/51/62/1091165162.db2.gz FPPJKVIECGUMRY-CQSZACIVSA-N 1 0 306.450 3.008 20 10 DGCDRO C[C@H]1CCN(Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC001205317339 1091181773 /nfs/dbraw/zinc/18/17/73/1091181773.db2.gz OCKDREFKXYTYBG-UWVGGRQHSA-N 1 0 303.233 3.116 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC001138496084 1091206408 /nfs/dbraw/zinc/20/64/08/1091206408.db2.gz PETSCYXNHJRNIN-HNNXBMFYSA-N 1 0 324.415 3.390 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCOCC3(CCCC3)C2)c(O)c1 ZINC001205453728 1091226635 /nfs/dbraw/zinc/22/66/35/1091226635.db2.gz OASJBBNVUHNWHD-UHFFFAOYSA-N 1 0 305.418 3.102 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC001205629326 1091288802 /nfs/dbraw/zinc/28/88/02/1091288802.db2.gz SWKAFKGPPAEWBX-UHFFFAOYSA-N 1 0 322.412 3.386 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC001138885595 1091367062 /nfs/dbraw/zinc/36/70/62/1091367062.db2.gz UQLYJSWUPXMJJX-UHFFFAOYSA-N 1 0 323.371 3.480 20 10 DGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118851773 1091411561 /nfs/dbraw/zinc/41/15/61/1091411561.db2.gz DJJBTCXBESFDIS-MRXNPFEDSA-N 1 0 314.420 3.164 20 10 DGCDRO Cc1cc(CN2C[C@H]([NH3+])CC(F)(F)C2)c(C)n1-c1ccccc1 ZINC001206124247 1091503031 /nfs/dbraw/zinc/50/30/31/1091503031.db2.gz IKBOEPRYTCFGNT-MRXNPFEDSA-N 1 0 319.399 3.262 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC001206248624 1091549862 /nfs/dbraw/zinc/54/98/62/1091549862.db2.gz ZVLOQFIRLUHSKF-CVEARBPZSA-N 1 0 303.789 3.354 20 10 DGCDRO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]21 ZINC001139671949 1091637674 /nfs/dbraw/zinc/63/76/74/1091637674.db2.gz QDGBEQFIVQRKND-AOIWGVFYSA-N 1 0 302.462 3.308 20 10 DGCDRO CCOC(=O)C1(C)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139673583 1091639419 /nfs/dbraw/zinc/63/94/19/1091639419.db2.gz USLJCAYGGZOESF-UHFFFAOYSA-N 1 0 318.461 3.226 20 10 DGCDRO Cc1cc(O)cc(C)c1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001139716429 1091651433 /nfs/dbraw/zinc/65/14/33/1091651433.db2.gz WUOVTOBQHQKCGT-UHFFFAOYSA-N 1 0 313.397 3.369 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cn2cccc(F)c2n1 ZINC001206516772 1091656882 /nfs/dbraw/zinc/65/68/82/1091656882.db2.gz DLVUINLGFJNDIC-UHFFFAOYSA-N 1 0 305.740 3.122 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3cnn(C)c3c2)cc1 ZINC001139911767 1091710153 /nfs/dbraw/zinc/71/01/53/1091710153.db2.gz ZAKLAQAVTLQWHM-UHFFFAOYSA-N 1 0 308.429 3.271 20 10 DGCDRO Cc1ccc(C)c(N2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC001140052936 1091750399 /nfs/dbraw/zinc/75/03/99/1091750399.db2.gz HZEKVRBMIADTGY-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001140056483 1091753053 /nfs/dbraw/zinc/75/30/53/1091753053.db2.gz YSSWXWXSWBTNQO-UHFFFAOYSA-N 1 0 318.367 3.383 20 10 DGCDRO CN(CC[N@H+](C)Cc1ccccc1)Cc1cc(F)ccc1O ZINC001140060162 1091754521 /nfs/dbraw/zinc/75/45/21/1091754521.db2.gz NJXCQLNWDHHNFD-UHFFFAOYSA-N 1 0 302.393 3.095 20 10 DGCDRO Oc1cccc(Br)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001140103936 1091768431 /nfs/dbraw/zinc/76/84/31/1091768431.db2.gz UWVLOMHRBQZGCI-AUTRQRHGSA-N 1 0 300.171 3.087 20 10 DGCDRO Cc1ccc(C)c(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC001140178413 1091791314 /nfs/dbraw/zinc/79/13/14/1091791314.db2.gz KYISOENAFPUJKC-LJQANCHMSA-N 1 0 310.441 3.498 20 10 DGCDRO Cc1cccc(N2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)n1 ZINC001140178626 1091792391 /nfs/dbraw/zinc/79/23/91/1091792391.db2.gz RDQLNNMLNXEFGA-UHFFFAOYSA-N 1 0 311.429 3.035 20 10 DGCDRO Cc1ccc(C)c(C[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1O ZINC001140178412 1091792469 /nfs/dbraw/zinc/79/24/69/1091792469.db2.gz KYISOENAFPUJKC-IBGZPJMESA-N 1 0 310.441 3.498 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)c1O ZINC001140181577 1091793295 /nfs/dbraw/zinc/79/32/95/1091793295.db2.gz SUXSPNGVANDWFC-SFHVURJKSA-N 1 0 322.408 3.022 20 10 DGCDRO Cc1ccc2c(n1)N(C)CC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140180304 1091793335 /nfs/dbraw/zinc/79/33/35/1091793335.db2.gz DNBKLZPIWDOYFQ-UHFFFAOYSA-N 1 0 311.429 3.164 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001140181744 1091793530 /nfs/dbraw/zinc/79/35/30/1091793530.db2.gz WKOMSYXNPXARQG-AWEZNQCLSA-N 1 0 320.433 3.108 20 10 DGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1c(C)ccc(C)c1O ZINC001140183305 1091793756 /nfs/dbraw/zinc/79/37/56/1091793756.db2.gz BCTJBRVBFGLDNT-UHFFFAOYSA-N 1 0 322.449 3.356 20 10 DGCDRO COC(=O)c1cccc(C[N@H+](C)Cc2c(C)ccc(C)c2O)c1 ZINC001140184436 1091795104 /nfs/dbraw/zinc/79/51/04/1091795104.db2.gz UBGZEOQRQMFUIK-UHFFFAOYSA-N 1 0 313.397 3.428 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c1O ZINC001140184472 1091795450 /nfs/dbraw/zinc/79/54/50/1091795450.db2.gz VQHIVOFXQXAKMB-HXUWFJFHSA-N 1 0 322.452 3.424 20 10 DGCDRO CCOC(=O)C[N@H+](Cc1c(C)ccc(C)c1O)C1CCCC1 ZINC001140184659 1091795514 /nfs/dbraw/zinc/79/55/14/1091795514.db2.gz DCXFYWDFVFIKEY-UHFFFAOYSA-N 1 0 305.418 3.317 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH+](C2CCCCC2)CC1 ZINC001140338121 1091833405 /nfs/dbraw/zinc/83/34/05/1091833405.db2.gz VWMUQXNGRSNKNH-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO Cc1nnc(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)o1 ZINC001140341716 1091835918 /nfs/dbraw/zinc/83/59/18/1091835918.db2.gz DLTJQABQPRRCJU-UHFFFAOYSA-N 1 0 307.781 3.117 20 10 DGCDRO CCOC(=O)C[N@H+](Cc1ccc(Cl)cc1O)C1CCCC1 ZINC001140464173 1091875736 /nfs/dbraw/zinc/87/57/36/1091875736.db2.gz FFZRBKJSBAPIBC-UHFFFAOYSA-N 1 0 311.809 3.353 20 10 DGCDRO CCc1noc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001140465059 1091875864 /nfs/dbraw/zinc/87/58/64/1091875864.db2.gz GVVASSUUDLWHBH-LBPRGKRZSA-N 1 0 321.808 3.371 20 10 DGCDRO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465774 1091878494 /nfs/dbraw/zinc/87/84/94/1091878494.db2.gz UVIDJOIRJRMBSW-KRWDZBQOSA-N 1 0 322.836 3.023 20 10 DGCDRO CCc1noc(C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)n1 ZINC001140465863 1091879209 /nfs/dbraw/zinc/87/92/09/1091879209.db2.gz SMICXUJIMNAKQZ-UHFFFAOYSA-N 1 0 321.808 3.371 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c1 ZINC001140622852 1091935232 /nfs/dbraw/zinc/93/52/32/1091935232.db2.gz BYZODQWORMHXBS-AWEZNQCLSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cccc(F)c3)CC2)c1 ZINC001140624460 1091936540 /nfs/dbraw/zinc/93/65/40/1091936540.db2.gz XSGYBQMDMAVQQF-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO C=C/C=C/CC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001207370467 1091942624 /nfs/dbraw/zinc/94/26/24/1091942624.db2.gz LPEKKHSWVDCOPN-AATRIKPKSA-N 1 0 316.376 3.326 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CC2)CC1 ZINC001140659975 1091948934 /nfs/dbraw/zinc/94/89/34/1091948934.db2.gz BBMJPLSGKMUCSW-UHFFFAOYSA-N 1 0 304.409 3.038 20 10 DGCDRO CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140663348 1091950039 /nfs/dbraw/zinc/95/00/39/1091950039.db2.gz BBRBTKKXXDVQET-OAHLLOKOSA-N 1 0 306.425 3.284 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@H+](CC1CC1)C1CC1 ZINC001140664216 1091951834 /nfs/dbraw/zinc/95/18/34/1091951834.db2.gz CPOZOFBNGZSDHB-UHFFFAOYSA-N 1 0 304.409 3.037 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1O ZINC001140743964 1091983428 /nfs/dbraw/zinc/98/34/28/1091983428.db2.gz GOLQTTQWHXVDRM-ZDUSSCGKSA-N 1 0 307.287 3.130 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c1O ZINC001140745359 1091983898 /nfs/dbraw/zinc/98/38/98/1091983898.db2.gz HAOCSVMTBJETNA-KRWDZBQOSA-N 1 0 313.397 3.450 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c(O)c1 ZINC001140856389 1092030297 /nfs/dbraw/zinc/03/02/97/1092030297.db2.gz JHJMWHYLLTWKLA-WMLDXEAASA-N 1 0 316.445 3.039 20 10 DGCDRO CCOc1ccc(N2CC[NH+](Cc3[nH]cc(C)c3C)CC2)cc1 ZINC001140864543 1092038810 /nfs/dbraw/zinc/03/88/10/1092038810.db2.gz VSWYFRDBLFKDEN-UHFFFAOYSA-N 1 0 313.445 3.352 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001140921760 1092062474 /nfs/dbraw/zinc/06/24/74/1092062474.db2.gz OXHDJEULWBTTTL-PBHICJAKSA-N 1 0 308.853 3.407 20 10 DGCDRO CN(C)c1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(Cl)c1 ZINC001140923452 1092064178 /nfs/dbraw/zinc/06/41/78/1092064178.db2.gz BAKOWRBAMVQNCF-INIZCTEOSA-N 1 0 307.869 3.076 20 10 DGCDRO CC(C)[N@@H+]1CCN(Cc2ccc(N(C)C)cc2Cl)C[C@@H]1C ZINC001140925817 1092064746 /nfs/dbraw/zinc/06/47/46/1092064746.db2.gz DQYKSYRJTLQSJY-AWEZNQCLSA-N 1 0 309.885 3.321 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140922662 1092065206 /nfs/dbraw/zinc/06/52/06/1092065206.db2.gz YHLIQRFLDYWWCY-TZMCWYRMSA-N 1 0 324.852 3.180 20 10 DGCDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925127 1092065436 /nfs/dbraw/zinc/06/54/36/1092065436.db2.gz OIEPJTJBKJGXRC-INIZCTEOSA-N 1 0 309.885 3.322 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140948284 1092075111 /nfs/dbraw/zinc/07/51/11/1092075111.db2.gz BMZHBIBYEROMMR-AWEZNQCLSA-N 1 0 307.390 3.227 20 10 DGCDRO COC(C[N@H+](Cc1ccccc1)Cc1ccc(C)cc1O)OC ZINC001140948122 1092075542 /nfs/dbraw/zinc/07/55/42/1092075542.db2.gz UFSIJHXEXXLZHR-UHFFFAOYSA-N 1 0 315.413 3.322 20 10 DGCDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140949486 1092075718 /nfs/dbraw/zinc/07/57/18/1092075718.db2.gz BVEYVWYYSZJEFZ-HNNXBMFYSA-N 1 0 320.433 3.142 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001140948236 1092075889 /nfs/dbraw/zinc/07/58/89/1092075889.db2.gz ZBTKJOHCUJINLA-SWLSCSKDSA-N 1 0 317.351 3.226 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c(O)c1 ZINC001140948235 1092076011 /nfs/dbraw/zinc/07/60/11/1092076011.db2.gz ZBTKJOHCUJINLA-IUODEOHRSA-N 1 0 317.351 3.226 20 10 DGCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140952390 1092077215 /nfs/dbraw/zinc/07/72/15/1092077215.db2.gz PXGJBJUISWOYLX-LPHOPBHVSA-N 1 0 319.445 3.108 20 10 DGCDRO Cc1ccc(C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)c(O)c1 ZINC001140950860 1092078411 /nfs/dbraw/zinc/07/84/11/1092078411.db2.gz LIMINZLYZFIYRQ-UHFFFAOYSA-N 1 0 308.425 3.018 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3cccc(F)c3)CC2)c(O)c1 ZINC001140954345 1092079195 /nfs/dbraw/zinc/07/91/95/1092079195.db2.gz QRCUEMXNTMBCSF-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140958149 1092082604 /nfs/dbraw/zinc/08/26/04/1092082604.db2.gz SNZOBTVJSOWMJA-CQSZACIVSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140958148 1092082650 /nfs/dbraw/zinc/08/26/50/1092082650.db2.gz SNZOBTVJSOWMJA-AWEZNQCLSA-N 1 0 305.418 3.254 20 10 DGCDRO CC[C@H](C)[C@H](C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)OC ZINC001207748272 1092088738 /nfs/dbraw/zinc/08/87/38/1092088738.db2.gz HXYQRFFGHPFTOB-SNRMKQJTSA-N 1 0 321.509 3.006 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccncc2)c(OC)c1 ZINC001141028678 1092111202 /nfs/dbraw/zinc/11/12/02/1092111202.db2.gz ZOGZNIZJQIMTRZ-INIZCTEOSA-N 1 0 314.385 3.142 20 10 DGCDRO F[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]2C[C@@H]21 ZINC001141075735 1092129284 /nfs/dbraw/zinc/12/92/84/1092129284.db2.gz YLJKDTRITOIHTF-OKZBNKHCSA-N 1 0 300.421 3.175 20 10 DGCDRO C[N@H+](Cc1cccnc1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074699 1092129843 /nfs/dbraw/zinc/12/98/43/1092129843.db2.gz RIGQEGAUFILURF-UHFFFAOYSA-N 1 0 307.441 3.412 20 10 DGCDRO CN(Cc1ccc2c(c1)OCCN2C)Cc1ccc(F)cc1F ZINC001141145209 1092150485 /nfs/dbraw/zinc/15/04/85/1092150485.db2.gz RVCMUHLRPLWTIO-UHFFFAOYSA-N 1 0 318.367 3.425 20 10 DGCDRO Cc1cccc(C)c1N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162375 1092157431 /nfs/dbraw/zinc/15/74/31/1092157431.db2.gz RILNQZXHHVCOCH-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+](C)Cc1ccccc1O ZINC001208228441 1092284972 /nfs/dbraw/zinc/28/49/72/1092284972.db2.gz ZTZOQVQEFUFPNW-AWEZNQCLSA-N 1 0 313.397 3.432 20 10 DGCDRO CC1CCC([NH+]2CCN(Cc3cc(F)c(F)cc3O)CC2)CC1 ZINC001142520924 1092494924 /nfs/dbraw/zinc/49/49/24/1092494924.db2.gz RLBWFDLBXAKAHQ-UHFFFAOYSA-N 1 0 324.415 3.367 20 10 DGCDRO CC(C)Oc1ncccc1CC[N@H+](C)Cc1ccccc1O ZINC001208800125 1092514999 /nfs/dbraw/zinc/51/49/99/1092514999.db2.gz IIJCXCQDGVGCBF-UHFFFAOYSA-N 1 0 300.402 3.249 20 10 DGCDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143112264 1092616327 /nfs/dbraw/zinc/61/63/27/1092616327.db2.gz NKZANFBWKRUHHB-HNNXBMFYSA-N 1 0 307.434 3.319 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1O ZINC001143112109 1092616458 /nfs/dbraw/zinc/61/64/58/1092616458.db2.gz KVJQZGCPGYVUKA-AWEZNQCLSA-N 1 0 324.415 3.215 20 10 DGCDRO CN1C[C@H]2CCC[N@H+](Cc3cccc(C(C)(C)C)c3O)[C@@H]2C1 ZINC001143110870 1092616523 /nfs/dbraw/zinc/61/65/23/1092616523.db2.gz RYUVHJGZUYAGAM-RHSMWYFYSA-N 1 0 302.462 3.216 20 10 DGCDRO CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143117073 1092617564 /nfs/dbraw/zinc/61/75/64/1092617564.db2.gz RKYFVNXPPBSBBY-CALCHBBNSA-N 1 0 316.489 3.463 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143116441 1092618042 /nfs/dbraw/zinc/61/80/42/1092618042.db2.gz BLKAKXUKKFTJEE-AWEZNQCLSA-N 1 0 319.445 3.465 20 10 DGCDRO CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143116807 1092618315 /nfs/dbraw/zinc/61/83/15/1092618315.db2.gz LEBWYDMHINYZQU-IYBDPMFKSA-N 1 0 302.462 3.073 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC001209377966 1092747433 /nfs/dbraw/zinc/74/74/33/1092747433.db2.gz IPTSKQMQWAGRMQ-HZPDHXFCSA-N 1 0 318.461 3.021 20 10 DGCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209516479 1092806194 /nfs/dbraw/zinc/80/61/94/1092806194.db2.gz IBSIDEGAQIDACA-KRWDZBQOSA-N 1 0 312.413 3.089 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC001209519652 1092808043 /nfs/dbraw/zinc/80/80/43/1092808043.db2.gz ZUDKWAYXIDZBAY-SFHVURJKSA-N 1 0 302.393 3.000 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCN[C@@H](Cc3ccccc3)C2)c1O ZINC001210357060 1093136551 /nfs/dbraw/zinc/13/65/51/1093136551.db2.gz QOEDSBWUSRVVSU-SFHVURJKSA-N 1 0 310.441 3.026 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccc(C#N)c(F)c3)ccc21 ZINC000404578493 1094261730 /nfs/dbraw/zinc/26/17/30/1094261730.db2.gz VGKVWQBVMVYOAQ-UHFFFAOYSA-N 1 0 309.388 3.370 20 10 DGCDRO CCC/C(C)=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134882832 1094323653 /nfs/dbraw/zinc/32/36/53/1094323653.db2.gz VICJRMKBWVZKRP-OJSRQPNCSA-N 1 0 317.477 3.218 20 10 DGCDRO O=C1C=CC(=NNc2ccccc2)C(O[C@H]2C[NH2+]C[C@@H]2F)=C1 ZINC001218018627 1094562711 /nfs/dbraw/zinc/56/27/11/1094562711.db2.gz BOTGVHOAVHOQOM-HKYLEAMTSA-N 1 0 301.321 3.496 20 10 DGCDRO Cc1cccc2c1[C@@H](Oc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001218037484 1094572512 /nfs/dbraw/zinc/57/25/12/1094572512.db2.gz ALXFHWKXHILFHP-IBGZPJMESA-N 1 0 308.425 3.471 20 10 DGCDRO Cc1ccc2c(c1)CC[C@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218036777 1094572729 /nfs/dbraw/zinc/57/27/29/1094572729.db2.gz XRDLPESBTJHPCL-HXUWFJFHSA-N 1 0 308.425 3.471 20 10 DGCDRO COc1cccc([C@@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001218293544 1094700721 /nfs/dbraw/zinc/70/07/21/1094700721.db2.gz BDFFODMOJUIQMS-OAHLLOKOSA-N 1 0 312.413 3.245 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)c(O)c1OC ZINC001336735880 1094717130 /nfs/dbraw/zinc/71/71/30/1094717130.db2.gz PKZFAMQGIQARFP-HOTGVXAUSA-N 1 0 313.397 3.130 20 10 DGCDRO CCC[C@H](CC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135883889 1094737551 /nfs/dbraw/zinc/73/75/51/1094737551.db2.gz FQUZBXHDDVSHAU-INIZCTEOSA-N 1 0 306.450 3.036 20 10 DGCDRO C[NH+]1CCC(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC001218824097 1094877861 /nfs/dbraw/zinc/87/78/61/1094877861.db2.gz ZLRZMZBAQRXQLC-UHFFFAOYSA-N 1 0 323.440 3.259 20 10 DGCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000691678692 1094947645 /nfs/dbraw/zinc/94/76/45/1094947645.db2.gz PQJPIFMWAITZHR-CYBMUJFWSA-N 1 0 314.223 3.156 20 10 DGCDRO C[NH2+][C@@H](C)C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001219203796 1094952032 /nfs/dbraw/zinc/95/20/32/1094952032.db2.gz OCEIHMUQVFWIDK-NFAHFFEMSA-N 1 0 323.440 3.469 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000697820963 1095051240 /nfs/dbraw/zinc/05/12/40/1095051240.db2.gz AIWLRTJRLQUKGS-GXTWGEPZSA-N 1 0 320.433 3.130 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN(CC2CC2)C1 ZINC001337784975 1095095522 /nfs/dbraw/zinc/09/55/22/1095095522.db2.gz HKYTZVHPJUTFHF-KBMXLJTQSA-N 1 0 300.446 3.323 20 10 DGCDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001220896762 1095171699 /nfs/dbraw/zinc/17/16/99/1095171699.db2.gz WFFFDKSCQXDYMZ-CTBAPTLKSA-N 1 0 324.384 3.289 20 10 DGCDRO CC[N@H+](Cc1cn2ccccc2n1)Cc1ccc(N(C)C)cc1 ZINC001136882929 1095216579 /nfs/dbraw/zinc/21/65/79/1095216579.db2.gz OZRSDJUYRWQKJK-UHFFFAOYSA-N 1 0 308.429 3.422 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](OC)c2ccc(F)cc2)c1O ZINC001338250653 1095238407 /nfs/dbraw/zinc/23/84/07/1095238407.db2.gz RYEYPHDNWGWIBK-QGZVFWFLSA-N 1 0 319.376 3.326 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc3C2)cc1O ZINC001171105904 1095379662 /nfs/dbraw/zinc/37/96/62/1095379662.db2.gz YHLUZFFBPQJMSH-HNNXBMFYSA-N 1 0 303.789 3.398 20 10 DGCDRO Oc1ccc(F)c(F)c1CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222171414 1095475432 /nfs/dbraw/zinc/47/54/32/1095475432.db2.gz BJJNKZJTYJDEGE-SFHVURJKSA-N 1 0 324.415 3.416 20 10 DGCDRO Nc1ccc(C[NH+]2CCC3(CNc4ccc(F)cc43)CC2)cc1 ZINC001222330916 1095554376 /nfs/dbraw/zinc/55/43/76/1095554376.db2.gz ULPOSLUWYIXOAH-UHFFFAOYSA-N 1 0 311.404 3.367 20 10 DGCDRO CN1CCCc2cc(CN3CCC[C@@]4(CCCC[NH2+]4)C3)ccc21 ZINC001222389655 1095587924 /nfs/dbraw/zinc/58/79/24/1095587924.db2.gz DYFKMVAGRNUTGL-FQEVSTJZSA-N 1 0 313.489 3.177 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC001116584286 1095608677 /nfs/dbraw/zinc/60/86/77/1095608677.db2.gz CZLVPKIUZYCLGH-BWYUNELBSA-N 1 0 309.409 3.497 20 10 DGCDRO CNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)c1 ZINC001116585216 1095609059 /nfs/dbraw/zinc/60/90/59/1095609059.db2.gz UBIHOUAWDWPURT-XJKSGUPXSA-N 1 0 324.424 3.398 20 10 DGCDRO Cc1cc(C[N@H+](C)Cc2cnc3ccccn23)ccc1N(C)C ZINC001139670031 1095615282 /nfs/dbraw/zinc/61/52/82/1095615282.db2.gz WBGOFYTWRPYLIJ-UHFFFAOYSA-N 1 0 308.429 3.341 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)c2ccccc21 ZINC001222471780 1095632557 /nfs/dbraw/zinc/63/25/57/1095632557.db2.gz XWXFISQGCKQSPZ-FQEVSTJZSA-N 1 0 309.457 3.234 20 10 DGCDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001339509754 1095643348 /nfs/dbraw/zinc/64/33/48/1095643348.db2.gz MSSAJYJAAOAFCR-JKSUJKDBSA-N 1 0 321.484 3.492 20 10 DGCDRO Cc1cc(C)c(CN2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001222563122 1095668993 /nfs/dbraw/zinc/66/89/93/1095668993.db2.gz HXKDPDFHVCOIEE-HKUYNNGSSA-N 1 0 308.425 3.080 20 10 DGCDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1c(O)cc(O)cc1O ZINC001144514950 1095701275 /nfs/dbraw/zinc/70/12/75/1095701275.db2.gz YPNZKXRJVZYUHA-UHFFFAOYSA-N 1 0 307.777 3.479 20 10 DGCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(F)(F)F)ccc1O ZINC001276837796 1095752887 /nfs/dbraw/zinc/75/28/87/1095752887.db2.gz HWKZUVUJEGBZQV-AGUYFDCRSA-N 1 0 314.351 3.126 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001138131304 1095900097 /nfs/dbraw/zinc/90/00/97/1095900097.db2.gz VJPJTKYRTYWBNU-HOTGVXAUSA-N 1 0 312.388 3.100 20 10 DGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001117944979 1095906457 /nfs/dbraw/zinc/90/64/57/1095906457.db2.gz OCOMLPDPHLTRLA-LZNQSLFOSA-N 1 0 318.461 3.476 20 10 DGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001117944978 1095907166 /nfs/dbraw/zinc/90/71/66/1095907166.db2.gz OCOMLPDPHLTRLA-KIUWMYQTSA-N 1 0 318.461 3.476 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2(C3CC3)CCOCC2)cc1 ZINC001117971231 1095912746 /nfs/dbraw/zinc/91/27/46/1095912746.db2.gz LCFRFNDKMBWDKC-ONEGZZNKSA-N 1 0 300.446 3.315 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@]23CCOC3)ccc1N1CCCCC1 ZINC001117989359 1095915266 /nfs/dbraw/zinc/91/52/66/1095915266.db2.gz HVWYHQGRFCQRMV-LJQANCHMSA-N 1 0 300.446 3.350 20 10 DGCDRO C[C@@H]([NH2+]CCCC[NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC001118121247 1095937658 /nfs/dbraw/zinc/93/76/58/1095937658.db2.gz CWCFRULZTMAMSI-MRVPVSSYSA-N 1 0 321.646 3.198 20 10 DGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C2(C)CC2)c1O ZINC001118387031 1095993757 /nfs/dbraw/zinc/99/37/57/1095993757.db2.gz LDAFLWGFKPHGAY-QMMMGPOBSA-N 1 0 300.196 3.366 20 10 DGCDRO Cc1noc(C)c1CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118801120 1096079099 /nfs/dbraw/zinc/07/90/99/1096079099.db2.gz MKNXVVPGGMABMP-UHFFFAOYSA-N 1 0 323.387 3.358 20 10 DGCDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118801332 1096079664 /nfs/dbraw/zinc/07/96/64/1096079664.db2.gz OCSHNAKHKYIFCW-LBPRGKRZSA-N 1 0 305.372 3.147 20 10 DGCDRO COC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001118808640 1096082381 /nfs/dbraw/zinc/08/23/81/1096082381.db2.gz UMCVOWNKJSXZIQ-XBFCOCLRSA-N 1 0 301.386 3.100 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1F ZINC001118858843 1096094662 /nfs/dbraw/zinc/09/46/62/1096094662.db2.gz WZCOMMZUCQKNEL-CYBMUJFWSA-N 1 0 310.388 3.222 20 10 DGCDRO CC[C@@H](CC(C)C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001147037823 1096150342 /nfs/dbraw/zinc/15/03/42/1096150342.db2.gz GDZRKJCXQMCDBG-KRWDZBQOSA-N 1 0 320.477 3.282 20 10 DGCDRO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc(C)cc3O)C2)cc1 ZINC001119450448 1096204968 /nfs/dbraw/zinc/20/49/68/1096204968.db2.gz JAHCEUIPUQZYNC-KRWDZBQOSA-N 1 0 310.397 3.292 20 10 DGCDRO c1cc2c(cc1N1C[C@H]3CC[C@@H](C1)[N@H+]3C1CCCC1)OCCO2 ZINC001277013829 1096344664 /nfs/dbraw/zinc/34/46/64/1096344664.db2.gz IRCRSFOFWQDNFF-CALCHBBNSA-N 1 0 314.429 3.053 20 10 DGCDRO COc1ccc(N2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c(C)c1 ZINC001277018082 1096347993 /nfs/dbraw/zinc/34/79/93/1096347993.db2.gz AWSRQNPBEPQGAV-HNAYVOBHSA-N 1 0 300.446 3.457 20 10 DGCDRO COc1ccc(N2CC[C@H]3C[N@H+](Cc4ccc[nH]4)C[C@H]32)c(C)c1 ZINC001277018975 1096348815 /nfs/dbraw/zinc/34/88/15/1096348815.db2.gz RTRBWSDXRJSFOO-HNAYVOBHSA-N 1 0 311.429 3.042 20 10 DGCDRO Oc1cccc(C[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)c1O ZINC001171349509 1096519632 /nfs/dbraw/zinc/51/96/32/1096519632.db2.gz KAJGRNBPRWGNSQ-ZDUSSCGKSA-N 1 0 305.324 3.023 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)NC(C)(C)C)cc1F ZINC001649160659 1096843490 /nfs/dbraw/zinc/84/34/90/1096843490.db2.gz CACLAQJOZAIWIX-UHFFFAOYSA-N 1 0 323.456 3.066 20 10 DGCDRO Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(O)c2)cc1 ZINC001171656156 1096941081 /nfs/dbraw/zinc/94/10/81/1096941081.db2.gz VKHWAVDWZHYPNU-AUUYWEPGSA-N 1 0 315.413 3.051 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)CC2CCCC2)cc1 ZINC001171730413 1096957031 /nfs/dbraw/zinc/95/70/31/1096957031.db2.gz TUJMYZMTXVDGRT-SFHVURJKSA-N 1 0 320.477 3.004 20 10 DGCDRO Oc1cc2c(cc1O)C[N@@H+]([C@@H]1Cc3cccc(F)c3C1)CCC2 ZINC001171807228 1096984256 /nfs/dbraw/zinc/98/42/56/1096984256.db2.gz SHNNLGZWHSISJD-OAHLLOKOSA-N 1 0 313.372 3.153 20 10 DGCDRO Oc1cc2c(cc1O)C[N@@H+]([C@H]1Cc3cccc(F)c3C1)CCC2 ZINC001171807227 1096984412 /nfs/dbraw/zinc/98/44/12/1096984412.db2.gz SHNNLGZWHSISJD-HNNXBMFYSA-N 1 0 313.372 3.153 20 10 DGCDRO CC[C@H](C)OCC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001172334451 1097116508 /nfs/dbraw/zinc/11/65/08/1097116508.db2.gz CNWFXQNVTHXDCC-SJORKVTESA-N 1 0 320.477 3.411 20 10 DGCDRO CC[C@@H](C)OCC[C@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172347190 1097120172 /nfs/dbraw/zinc/12/01/72/1097120172.db2.gz LJBWNFOBRPSKHC-UONOGXRCSA-N 1 0 307.434 3.440 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H](C)CCOC(C)C)CC2)cc1 ZINC001172440393 1097155348 /nfs/dbraw/zinc/15/53/48/1097155348.db2.gz MBTRVBQFVPFYDQ-INIZCTEOSA-N 1 0 306.450 3.021 20 10 DGCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1O ZINC001172551339 1097177050 /nfs/dbraw/zinc/17/70/50/1097177050.db2.gz OBWZGOFURIJPSF-GDBMZVCRSA-N 1 0 313.397 3.272 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccccc1O ZINC001172670863 1097211568 /nfs/dbraw/zinc/21/15/68/1097211568.db2.gz KCUYAPZBALOKGM-DOTOQJQBSA-N 1 0 324.424 3.234 20 10 DGCDRO COc1cc(C)c(C[NH+]2CC(c3ccc(F)cc3)C2)c(O)c1 ZINC001206174606 1097230075 /nfs/dbraw/zinc/23/00/75/1097230075.db2.gz OOOAATCLOPLWCQ-UHFFFAOYSA-N 1 0 301.361 3.448 20 10 DGCDRO COc1cc2cc[nH+]c(NCc3ccc(N)cc3)c2cc1OC ZINC000323780160 1097234576 /nfs/dbraw/zinc/23/45/76/1097234576.db2.gz BOOHKAALPYRTQP-UHFFFAOYSA-N 1 0 309.369 3.446 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172808211 1097245236 /nfs/dbraw/zinc/24/52/36/1097245236.db2.gz SBVIEIHFSKLTRY-HOCLYGCPSA-N 1 0 305.418 3.336 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H](OC)C3)CC2)c(C)c1 ZINC001172945953 1097289788 /nfs/dbraw/zinc/28/97/88/1097289788.db2.gz DEPRPOPVVGFRJY-IAGOWNOFSA-N 1 0 318.461 3.083 20 10 DGCDRO CCSC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001173295118 1097399789 /nfs/dbraw/zinc/39/97/89/1097399789.db2.gz INVLVDMFWOKEEZ-CQSZACIVSA-N 1 0 308.491 3.088 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2Cc3cc(F)c(F)cc3C2)cc1 ZINC001173477053 1097445897 /nfs/dbraw/zinc/44/58/97/1097445897.db2.gz FYZRLPKOGWHHKD-UHFFFAOYSA-N 1 0 302.368 3.288 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[C@H]([N@H+](CC)Cc2ccccc2O)C1 ZINC001173658901 1097484500 /nfs/dbraw/zinc/48/45/00/1097484500.db2.gz SFXSOFWUWBDRQN-ZBFHGGJFSA-N 1 0 305.418 3.336 20 10 DGCDRO COC(=O)c1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC001173712693 1097500224 /nfs/dbraw/zinc/50/02/24/1097500224.db2.gz TUNCBKKXAOWRAI-KGLIPLIRSA-N 1 0 313.397 3.461 20 10 DGCDRO Cc1cc(F)cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c1O ZINC001277519606 1097752215 /nfs/dbraw/zinc/75/22/15/1097752215.db2.gz DZAMTEVOTRHXNB-ROUUACIJSA-N 1 0 318.436 3.431 20 10 DGCDRO CC[N@H+](Cc1c(Br)ccc(OC)c1O)C(C)C ZINC001231548224 1097777814 /nfs/dbraw/zinc/77/78/14/1097777814.db2.gz QCMBKTODZXJQJC-UHFFFAOYSA-N 1 0 302.212 3.394 20 10 DGCDRO COc1ccc(Br)c(C[N@H+](C)CC2CC2)c1O ZINC001231546915 1097777343 /nfs/dbraw/zinc/77/73/43/1097777343.db2.gz CHAXGFKHNFKOJM-UHFFFAOYSA-N 1 0 300.196 3.005 20 10 DGCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590422 1097785520 /nfs/dbraw/zinc/78/55/20/1097785520.db2.gz ZOCRNZXUMHHVIP-HIFRSBDPSA-N 1 0 313.397 3.319 20 10 DGCDRO Cc1cccc(CN2CC[NH+](CC3CCCCC3)CC2)c1O ZINC001231591012 1097786897 /nfs/dbraw/zinc/78/68/97/1097786897.db2.gz OTSROSGQRSNLPL-UHFFFAOYSA-N 1 0 302.462 3.399 20 10 DGCDRO COc1ccccc1O[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC001231593422 1097787028 /nfs/dbraw/zinc/78/70/28/1097787028.db2.gz XMDBHLKFDKIAAC-MRXNPFEDSA-N 1 0 313.397 3.363 20 10 DGCDRO CC(=O)c1ccc(N2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC001231591894 1097787524 /nfs/dbraw/zinc/78/75/24/1097787524.db2.gz BYPRHVAWBYPLAM-UHFFFAOYSA-N 1 0 324.424 3.225 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C[C@H]1C ZINC001231595478 1097787871 /nfs/dbraw/zinc/78/78/71/1097787871.db2.gz WLQKLGYBJLQVGC-CABCVRRESA-N 1 0 305.418 3.112 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3ccc(F)cc3C)CC2)c1O ZINC001231595189 1097788229 /nfs/dbraw/zinc/78/82/29/1097788229.db2.gz UMUPEUPUKCUWCP-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2cccc(C)c2)c(O)cc1O ZINC001231635726 1097796661 /nfs/dbraw/zinc/79/66/61/1097796661.db2.gz IZSZSYNIYOSFEK-UHFFFAOYSA-N 1 0 301.386 3.089 20 10 DGCDRO COc1cc(C[NH+]2CCC(c3ccccc3)CC2)c(O)cc1O ZINC001231633012 1097796870 /nfs/dbraw/zinc/79/68/70/1097796870.db2.gz IBBMHXFOZKVGPH-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO CCc1ccc(C[N@H+](C)Cc2cc(OC)c(O)cc2O)cc1 ZINC001231637039 1097797074 /nfs/dbraw/zinc/79/70/74/1097797074.db2.gz DLVRVBGREWXJJK-UHFFFAOYSA-N 1 0 301.386 3.301 20 10 DGCDRO CCc1nnc(C2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)o1 ZINC001231846170 1097861811 /nfs/dbraw/zinc/86/18/11/1097861811.db2.gz CRQWVRRMBBXAOI-UHFFFAOYSA-N 1 0 315.417 3.334 20 10 DGCDRO Cc1cc(C)c(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001231847612 1097861876 /nfs/dbraw/zinc/86/18/76/1097861876.db2.gz BSJGTZQEGKZWTM-ROUUACIJSA-N 1 0 320.452 3.407 20 10 DGCDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231844111 1097862757 /nfs/dbraw/zinc/86/27/57/1097862757.db2.gz DZPZKOJPJZSEHQ-OALUTQOASA-N 1 0 319.445 3.027 20 10 DGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231849668 1097863172 /nfs/dbraw/zinc/86/31/72/1097863172.db2.gz UMQAZLMALIZCIA-UHFFFAOYSA-N 1 0 311.381 3.311 20 10 DGCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(C)cc(C)cc3O)C2)nc1 ZINC001231850125 1097863975 /nfs/dbraw/zinc/86/39/75/1097863975.db2.gz KLUAEOGVJMNOES-INIZCTEOSA-N 1 0 312.413 3.366 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)cc1Cl ZINC001231870070 1097870110 /nfs/dbraw/zinc/87/01/10/1097870110.db2.gz HWYJTYDNSSWMIL-INIZCTEOSA-N 1 0 309.793 3.026 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@](O)(CF)C2)cc1Cl ZINC001231866653 1097870372 /nfs/dbraw/zinc/87/03/72/1097870372.db2.gz BNMFYYLZZIKRAJ-HNNXBMFYSA-N 1 0 301.789 3.041 20 10 DGCDRO CC(=O)N1CC[C@H]([N@@H+](Cc2cc(Cl)c(C)cc2O)C(C)C)C1 ZINC001231870325 1097870407 /nfs/dbraw/zinc/87/04/07/1097870407.db2.gz UGGMJSUMWGCMLO-HNNXBMFYSA-N 1 0 324.852 3.185 20 10 DGCDRO Oc1c(C[N@@H+]2CCCC[C@](O)(CF)C2)ccc2ccccc21 ZINC001231879597 1097877000 /nfs/dbraw/zinc/87/70/00/1097877000.db2.gz JPXAVWQSJQJHNW-SFHVURJKSA-N 1 0 303.377 3.232 20 10 DGCDRO Oc1c(C[NH+]2CC(N3CCC(F)CC3)C2)ccc2ccccc21 ZINC001231881545 1097878064 /nfs/dbraw/zinc/87/80/64/1097878064.db2.gz WGYOKLOFWPTIMY-UHFFFAOYSA-N 1 0 314.404 3.164 20 10 DGCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231880933 1097878087 /nfs/dbraw/zinc/87/80/87/1097878087.db2.gz OJJMDILLMQXBSS-CZUORRHYSA-N 1 0 313.397 3.176 20 10 DGCDRO F[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232199779 1097963960 /nfs/dbraw/zinc/96/39/60/1097963960.db2.gz JRYGTZLPKTYRNV-AWEZNQCLSA-N 1 0 312.816 3.111 20 10 DGCDRO Oc1cc(O)c(CN2CCCC[C@@H]2C[NH+]2CCCC2)cc1Cl ZINC001232261701 1097984687 /nfs/dbraw/zinc/98/46/87/1097984687.db2.gz MLUSFKOMWZJDFY-CQSZACIVSA-N 1 0 324.852 3.202 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)cc1Cl ZINC001232266379 1097986172 /nfs/dbraw/zinc/98/61/72/1097986172.db2.gz MXLOUPWVSZERSZ-BDJLRTHQSA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCCCO3)cc1Cl ZINC001232266162 1097987294 /nfs/dbraw/zinc/98/72/94/1097987294.db2.gz JMMLXQLACZDTKI-INIZCTEOSA-N 1 0 311.809 3.199 20 10 DGCDRO CCCCC[NH+]1CCN(Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232267560 1097988110 /nfs/dbraw/zinc/98/81/10/1097988110.db2.gz JMYHKPPBXVFZFA-UHFFFAOYSA-N 1 0 312.841 3.059 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1Cl ZINC001232269718 1097988567 /nfs/dbraw/zinc/98/85/67/1097988567.db2.gz IRNCWWRLQUNFQV-VIFPVBQESA-N 1 0 309.715 3.438 20 10 DGCDRO C[N@@H+](Cc1cccc(Br)c1N)Cc1ccccc1O ZINC001232527345 1098068871 /nfs/dbraw/zinc/06/88/71/1098068871.db2.gz ZGMVVWQCUPOSRM-UHFFFAOYSA-N 1 0 321.218 3.369 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCC(=O)CC3)CC2)c(O)c1 ZINC001232840460 1098150510 /nfs/dbraw/zinc/15/05/10/1098150510.db2.gz AKOGMUZHTRPXQR-UHFFFAOYSA-N 1 0 316.445 3.184 20 10 DGCDRO [O-]c1c(C[N@@H+]2CCOC[C@H]2C2CCCCC2)ccc(F)c1F ZINC001233078893 1098221377 /nfs/dbraw/zinc/22/13/77/1098221377.db2.gz NHAGSWRRPHUENU-HNNXBMFYSA-N 1 0 311.372 3.452 20 10 DGCDRO C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)C1COC1 ZINC001233197574 1098249772 /nfs/dbraw/zinc/24/97/72/1098249772.db2.gz NFTJYCPHNAVVOG-UHFFFAOYSA-N 1 0 322.202 3.139 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC001233286780 1098275990 /nfs/dbraw/zinc/27/59/90/1098275990.db2.gz IUKSWAWMZHRDIQ-UHFFFAOYSA-N 1 0 305.418 3.029 20 10 DGCDRO CN1CCC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]21 ZINC001233286817 1098276180 /nfs/dbraw/zinc/27/61/80/1098276180.db2.gz JQNRKSVYDMCPAE-YOEHRIQHSA-N 1 0 302.462 3.216 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233287016 1098276850 /nfs/dbraw/zinc/27/68/50/1098276850.db2.gz SFTNKXIUVWTALO-CQSZACIVSA-N 1 0 319.445 3.465 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(C)(C)OC)c1O ZINC001233290300 1098278049 /nfs/dbraw/zinc/27/80/49/1098278049.db2.gz VKIUESHJRDEAKJ-AWEZNQCLSA-N 1 0 313.825 3.444 20 10 DGCDRO CCOCC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233290001 1098278396 /nfs/dbraw/zinc/27/83/96/1098278396.db2.gz CFBZXBGBXJBXRU-UHFFFAOYSA-N 1 0 313.825 3.303 20 10 DGCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418977 1098325587 /nfs/dbraw/zinc/32/55/87/1098325587.db2.gz DWRDKTGVBCRVHC-CYBMUJFWSA-N 1 0 316.367 3.326 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC1=O ZINC001233452517 1098338830 /nfs/dbraw/zinc/33/88/30/1098338830.db2.gz ZLFPRKRPKICIHB-SNVBAGLBSA-N 1 0 301.308 3.212 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC2(C1)CCOCC2 ZINC001233454113 1098341319 /nfs/dbraw/zinc/34/13/19/1098341319.db2.gz HMJXFJPROHFLDQ-UHFFFAOYSA-N 1 0 301.308 3.023 20 10 DGCDRO O=C1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@@H]12 ZINC001233455862 1098343080 /nfs/dbraw/zinc/34/30/80/1098343080.db2.gz BOFCDYVLKLKJSY-GXFFZTMASA-N 1 0 313.319 3.212 20 10 DGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)cc1 ZINC001233485456 1098346443 /nfs/dbraw/zinc/34/64/43/1098346443.db2.gz WNRAHLQLKJDOPU-HNNXBMFYSA-N 1 0 315.369 3.149 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1O ZINC001233486556 1098347094 /nfs/dbraw/zinc/34/70/94/1098347094.db2.gz RGSUYPPGERXEDP-LBPRGKRZSA-N 1 0 319.788 3.446 20 10 DGCDRO COCC[N@H+](Cc1cccc(OC(F)(F)F)c1O)C(C)C ZINC001233754253 1098422494 /nfs/dbraw/zinc/42/24/94/1098422494.db2.gz BLABDWCOFXGVNG-UHFFFAOYSA-N 1 0 307.312 3.148 20 10 DGCDRO CC[NH+](CC)CCN(C)Cc1c(O)ccc2ccc(OC)cc21 ZINC001234519463 1098577223 /nfs/dbraw/zinc/57/72/23/1098577223.db2.gz ZJFUZXUXBMNIHK-UHFFFAOYSA-N 1 0 316.445 3.328 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4OCC[C@H]4C3)c2c1 ZINC001234562073 1098600010 /nfs/dbraw/zinc/60/00/10/1098600010.db2.gz GIGWESMNQXTRSY-IFXJQAMLSA-N 1 0 313.397 3.165 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC[C@H]3C3CC3)c2c1 ZINC001234569874 1098603204 /nfs/dbraw/zinc/60/32/04/1098603204.db2.gz TTYXSZNZBOHMSK-SFHVURJKSA-N 1 0 313.397 3.165 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@H]3CCCOC3)c2c1 ZINC001234569090 1098603718 /nfs/dbraw/zinc/60/37/18/1098603718.db2.gz JJNNULSMJQOYMJ-AWEZNQCLSA-N 1 0 301.386 3.165 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)c3cccnc3)cc2)CC1 ZINC001234658125 1098634618 /nfs/dbraw/zinc/63/46/18/1098634618.db2.gz VAHUTBYVMQXXSY-MRXNPFEDSA-N 1 0 311.429 3.364 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCCC[C@@H]3F)cc2)CC1 ZINC001234660372 1098637172 /nfs/dbraw/zinc/63/71/72/1098637172.db2.gz HDZGLBODRCTOLP-ROUUACIJSA-N 1 0 306.425 3.488 20 10 DGCDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001206317545 1098714171 /nfs/dbraw/zinc/71/41/71/1098714171.db2.gz GTCIMOKRISRQTL-OAHLLOKOSA-N 1 0 316.367 3.362 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CCC3(C[NH2+]C3)C2)cc1Cl ZINC001235025541 1098756639 /nfs/dbraw/zinc/75/66/39/1098756639.db2.gz FCEHMKPASPQZAR-UHFFFAOYSA-N 1 0 308.853 3.138 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC001178336624 1098785490 /nfs/dbraw/zinc/78/54/90/1098785490.db2.gz MDHQOFOCYWDYIQ-QGZVFWFLSA-N 1 0 316.445 3.062 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCO[C@H]1C1CC1 ZINC001178440781 1098816651 /nfs/dbraw/zinc/81/66/51/1098816651.db2.gz RWWNMAFTHXQPGU-OALUTQOASA-N 1 0 301.430 3.306 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153388 1098839766 /nfs/dbraw/zinc/83/97/66/1098839766.db2.gz SATZNRZZJLSJNS-MRXNPFEDSA-N 1 0 308.853 3.400 20 10 DGCDRO C[N@@H+](Cc1c([O-])ccc(Cl)c1Cl)CC1CC[NH2+]CC1 ZINC001235432112 1099028955 /nfs/dbraw/zinc/02/89/55/1099028955.db2.gz INKNVXDXHXDMIM-UHFFFAOYSA-N 1 0 303.233 3.130 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@](O)(CF)C2)c(O)c1 ZINC001235676923 1099120570 /nfs/dbraw/zinc/12/05/70/1099120570.db2.gz XIQUUOSYXZWGBY-SFHVURJKSA-N 1 0 309.425 3.376 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c(O)c1 ZINC001235678713 1099122120 /nfs/dbraw/zinc/12/21/20/1099122120.db2.gz MBIUCAPWGYNOIU-LJQANCHMSA-N 1 0 317.429 3.361 20 10 DGCDRO CN1C[C@H]2[C@H](C1)CCC[N@@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001235679755 1099122293 /nfs/dbraw/zinc/12/22/93/1099122293.db2.gz QTCXWJCKMFAMBB-YOEHRIQHSA-N 1 0 302.462 3.216 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235678702 1099122889 /nfs/dbraw/zinc/12/28/89/1099122889.db2.gz LJCDNOGILKJFGW-HNNXBMFYSA-N 1 0 305.418 3.217 20 10 DGCDRO CC(C)C[NH+]1CCN(Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235682111 1099124286 /nfs/dbraw/zinc/12/42/86/1099124286.db2.gz MTFCIKIRYNRGPT-UHFFFAOYSA-N 1 0 304.478 3.463 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCC3)CO1)CCCO2 ZINC001179593085 1099141853 /nfs/dbraw/zinc/14/18/53/1099141853.db2.gz NEXKITPNBQMBMM-KRWDZBQOSA-N 1 0 301.430 3.451 20 10 DGCDRO CC[N@H+](Cc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001235948581 1099281499 /nfs/dbraw/zinc/28/14/99/1099281499.db2.gz QLBCPLDUIRYSGB-FQEVSTJZSA-N 1 0 309.457 3.365 20 10 DGCDRO CCN(Cc1cc(-c2ccc(F)cc2)ccc1O)[C@@H]1CC[NH2+]C1 ZINC001235973618 1099300679 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CN(Cc1cc(C(F)(F)F)ccc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216406 1099472566 /nfs/dbraw/zinc/47/25/66/1099472566.db2.gz KFINROBZZRTBQD-QWHCGFSZSA-N 1 0 302.340 3.113 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236238950 1099491660 /nfs/dbraw/zinc/49/16/60/1099491660.db2.gz FLFKSCWSLCJZCN-CQSZACIVSA-N 1 0 314.351 3.127 20 10 DGCDRO Oc1ccccc1CN(Cc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC001236351212 1099549003 /nfs/dbraw/zinc/54/90/03/1099549003.db2.gz ATYNFABBBFCPFH-KRWDZBQOSA-N 1 0 314.404 3.286 20 10 DGCDRO [O-]c1ccc(F)c(F)c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375356 1099563896 /nfs/dbraw/zinc/56/38/96/1099563896.db2.gz KPEIDLXGRHEMFU-CYBMUJFWSA-N 1 0 324.415 3.415 20 10 DGCDRO CC(C)CN(Cc1c(O)ccc(F)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236476316 1099633525 /nfs/dbraw/zinc/63/35/25/1099633525.db2.gz XCGWZWLEFJUBPJ-GFCCVEGCSA-N 1 0 314.832 3.395 20 10 DGCDRO CCN(CC)c1ccc(CN(C(C)C)[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC001236525668 1099660614 /nfs/dbraw/zinc/66/06/14/1099660614.db2.gz AOEWTFJZRRJOAW-GOSISDBHSA-N 1 0 319.493 3.114 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001236533208 1099668048 /nfs/dbraw/zinc/66/80/48/1099668048.db2.gz LNKJFGZSPVTCGE-SNVBAGLBSA-N 1 0 301.217 3.025 20 10 DGCDRO Oc1ccc(F)c(F)c1CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236654360 1099724647 /nfs/dbraw/zinc/72/46/47/1099724647.db2.gz PIDMCSVXABDLNA-CYBMUJFWSA-N 1 0 310.388 3.167 20 10 DGCDRO CC[C@@H]1CC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236749704 1099769308 /nfs/dbraw/zinc/76/93/08/1099769308.db2.gz DNKGIRYJVVITJI-SNVBAGLBSA-N 1 0 314.223 3.395 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](C)C2)c(O)cc1Br ZINC001236745098 1099770604 /nfs/dbraw/zinc/77/06/04/1099770604.db2.gz NDOPPRVXOMQKQY-JTQLQIEISA-N 1 0 314.223 3.395 20 10 DGCDRO C[C@@H]1CN(Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236778612 1099780142 /nfs/dbraw/zinc/78/01/42/1099780142.db2.gz IYYITPIHLSRQRP-OAHLLOKOSA-N 1 0 313.397 3.192 20 10 DGCDRO CCc1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)c(O)c1 ZINC001236786558 1099782902 /nfs/dbraw/zinc/78/29/02/1099782902.db2.gz CTGVHEDDFVGUFT-QGZVFWFLSA-N 1 0 312.413 3.311 20 10 DGCDRO CCc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC001236784381 1099782955 /nfs/dbraw/zinc/78/29/55/1099782955.db2.gz VQUQOUBIJVPVNU-UHFFFAOYSA-N 1 0 314.404 3.416 20 10 DGCDRO [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001236794294 1099787270 /nfs/dbraw/zinc/78/72/70/1099787270.db2.gz RIMNEMICQOLRDA-CQSZACIVSA-N 1 0 302.201 3.454 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(CC)cc2O)C1 ZINC001236791747 1099788032 /nfs/dbraw/zinc/78/80/32/1099788032.db2.gz JSOLBWOVWDUNCJ-SFHVURJKSA-N 1 0 305.418 3.120 20 10 DGCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794255 1099788739 /nfs/dbraw/zinc/78/87/39/1099788739.db2.gz QZBLKAITBVGVGR-UWVGGRQHSA-N 1 0 304.217 3.292 20 10 DGCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(Cl)c(Cl)cc3O)[C@@H]2C1 ZINC001236796540 1099790174 /nfs/dbraw/zinc/79/01/74/1099790174.db2.gz QCKOLHDWHOTVEL-IINYFYTJSA-N 1 0 315.244 3.225 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(Cl)c1 ZINC001236796735 1099792041 /nfs/dbraw/zinc/79/20/41/1099792041.db2.gz YNBSMXAAOUNYDE-XMZIXOGTSA-N 1 0 311.809 3.054 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c(Cl)c1 ZINC001236799062 1099793535 /nfs/dbraw/zinc/79/35/35/1099793535.db2.gz RBFINFNYTXHUGH-BDJLRTHQSA-N 1 0 313.825 3.037 20 10 DGCDRO C[N@@H+]1CC[C@]2(CCN(Cc3cc(Cl)c(Cl)cc3O)C2)C1 ZINC001236798138 1099794825 /nfs/dbraw/zinc/79/48/25/1099794825.db2.gz HEJMDNAVPKGGPY-HNNXBMFYSA-N 1 0 315.244 3.227 20 10 DGCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Cl)c(Cl)cc3O)C[C@H]21 ZINC001236805233 1099797946 /nfs/dbraw/zinc/79/79/46/1099797946.db2.gz YAEJTYIRPDHNCM-QMTHXVAHSA-N 1 0 315.244 3.225 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCc3c(cccc3OC)C2)c(O)c1 ZINC001236817067 1099801703 /nfs/dbraw/zinc/80/17/03/1099801703.db2.gz BMAFJPJDYCCWJX-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC(c3ccccn3)CC2)c(O)c1 ZINC001236813413 1099803003 /nfs/dbraw/zinc/80/30/03/1099803003.db2.gz KEWWQVFPKKOWRC-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC(c3ccncc3)CC2)c(O)c1 ZINC001236812908 1099803811 /nfs/dbraw/zinc/80/38/11/1099803811.db2.gz HEUHDFWFRTUQOD-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001236827900 1099812624 /nfs/dbraw/zinc/81/26/24/1099812624.db2.gz WDWDVIMWUJPNOL-GOSISDBHSA-N 1 0 303.377 3.232 20 10 DGCDRO CC(C)(C)OC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1O ZINC001205411791 1099893323 /nfs/dbraw/zinc/89/33/23/1099893323.db2.gz OLIFFMWDRWJYFG-CYBMUJFWSA-N 1 0 311.809 3.352 20 10 DGCDRO Cc1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2C[NH3+])c1O ZINC001237028175 1099934845 /nfs/dbraw/zinc/93/48/45/1099934845.db2.gz PBSAWWLEPZSLSW-KRWDZBQOSA-N 1 0 316.832 3.240 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c(O)c1 ZINC001237040195 1099939015 /nfs/dbraw/zinc/93/90/15/1099939015.db2.gz AWNCFSWESGDFEI-CQSZACIVSA-N 1 0 303.324 3.360 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001237040248 1099939302 /nfs/dbraw/zinc/93/93/02/1099939302.db2.gz BIVXAOSNRBEGQV-HOTGVXAUSA-N 1 0 303.402 3.125 20 10 DGCDRO COC(=O)CC1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237052260 1099943952 /nfs/dbraw/zinc/94/39/52/1099943952.db2.gz SOBNBMYGYRFLBQ-UHFFFAOYSA-N 1 0 305.418 3.291 20 10 DGCDRO COCCCC[NH+]1CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237050408 1099944830 /nfs/dbraw/zinc/94/48/30/1099944830.db2.gz BFZBIEWSLMCHAI-UHFFFAOYSA-N 1 0 320.477 3.060 20 10 DGCDRO CC(C)c1ccc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c(O)c1 ZINC001237052424 1099945301 /nfs/dbraw/zinc/94/53/01/1099945301.db2.gz YJIHEEPDXVJVKM-UHFFFAOYSA-N 1 0 316.445 3.102 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CC(C(F)F)C1 ZINC001237061801 1099951852 /nfs/dbraw/zinc/95/18/52/1099951852.db2.gz IBSQRNARFOJPOR-UHFFFAOYSA-N 1 0 311.250 3.030 20 10 DGCDRO C[NH+](C)C1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237077092 1099955782 /nfs/dbraw/zinc/95/57/82/1099955782.db2.gz CMHHGKZFUGIFIR-UHFFFAOYSA-N 1 0 303.233 3.225 20 10 DGCDRO CN(C)c1ccc(CN2CC(F)(F)C[C@H]2C[NH3+])c2ccccc21 ZINC001237108126 1099974358 /nfs/dbraw/zinc/97/43/58/1099974358.db2.gz NVIXQMGLYMCMNX-AWEZNQCLSA-N 1 0 319.399 3.074 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237116717 1099978901 /nfs/dbraw/zinc/97/89/01/1099978901.db2.gz LWJVCGZPPJGZRP-SCZZXKLOSA-N 1 0 323.261 3.378 20 10 DGCDRO C[N@@H+]1CCN(Cc2c(O)ccc(F)c2Cl)C2(CCCC2)C1 ZINC001237125350 1099984452 /nfs/dbraw/zinc/98/44/52/1099984452.db2.gz CVIPVQUQYGGMNV-UHFFFAOYSA-N 1 0 312.816 3.245 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001237139830 1099988661 /nfs/dbraw/zinc/98/86/61/1099988661.db2.gz PSZHFDLWBCPXHE-CQSZACIVSA-N 1 0 314.351 3.081 20 10 DGCDRO OC[C@]1(F)CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237138162 1099991074 /nfs/dbraw/zinc/99/10/74/1099991074.db2.gz USGBMGPTTBIBJM-AWEZNQCLSA-N 1 0 321.314 3.098 20 10 DGCDRO COc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c([O-])c1Cl ZINC001237157249 1100007942 /nfs/dbraw/zinc/00/79/42/1100007942.db2.gz SHEHQGANYGCGOL-CQSZACIVSA-N 1 0 324.852 3.161 20 10 DGCDRO Oc1c(CN2CC[NH2+]C3=CCCC[C@@H]32)cccc1C(F)(F)F ZINC001237228229 1100039909 /nfs/dbraw/zinc/03/99/09/1100039909.db2.gz INTBTKYQOOOODR-AWEZNQCLSA-N 1 0 312.335 3.253 20 10 DGCDRO Cc1ccc(C2(O)CC[NH+](Cc3c(C)cccc3O)CC2)cc1 ZINC001237481760 1100139776 /nfs/dbraw/zinc/13/97/76/1100139776.db2.gz HZJMULMLIZCQCV-UHFFFAOYSA-N 1 0 311.425 3.493 20 10 DGCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c(C)cccc3O)C2)c1 ZINC001237494864 1100144998 /nfs/dbraw/zinc/14/49/98/1100144998.db2.gz MJHYWPCJVGMQFQ-INIZCTEOSA-N 1 0 312.413 3.447 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(C)cccc2O)C[C@H]1C ZINC001237494447 1100145630 /nfs/dbraw/zinc/14/56/30/1100145630.db2.gz IVUCOADPOABYAA-HUUCEWRRSA-N 1 0 305.418 3.112 20 10 DGCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1c(C)cccc1O)C2 ZINC001237496269 1100145658 /nfs/dbraw/zinc/14/56/58/1100145658.db2.gz XRPHAUZCLZXSPJ-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237641726 1100199418 /nfs/dbraw/zinc/19/94/18/1100199418.db2.gz WKARLDDBTVOYEW-IRXDYDNUSA-N 1 0 319.351 3.103 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(F)cc2)c(O)c(OC)c1 ZINC001237675048 1100209407 /nfs/dbraw/zinc/20/94/07/1100209407.db2.gz RDCKLTJKPXWPJQ-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(C)cc2)c(O)c(OC)c1 ZINC001237675761 1100209498 /nfs/dbraw/zinc/20/94/98/1100209498.db2.gz GKBRCVPDSCVRKE-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1cc(C[NH+]2CCC3(CC(F)C3)CC2)c(O)c(OC)c1 ZINC001237669874 1100209555 /nfs/dbraw/zinc/20/95/55/1100209555.db2.gz PMAHRKUWMFFSMB-UHFFFAOYSA-N 1 0 309.381 3.124 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2O)cc1 ZINC001237668815 1100210414 /nfs/dbraw/zinc/21/04/14/1100210414.db2.gz GSRMOGMKFDJJGX-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO COc1cc(C[N@@H+]2CCc3ccc(C)cc3C2)c(O)c(OC)c1 ZINC001237671617 1100210458 /nfs/dbraw/zinc/21/04/58/1100210458.db2.gz CTKYIDWFXPSSCG-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001237675970 1100210942 /nfs/dbraw/zinc/21/09/42/1100210942.db2.gz DHQOIDWHVADTKF-PHIMTYICSA-N 1 0 314.223 3.072 20 10 DGCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001237686301 1100215084 /nfs/dbraw/zinc/21/50/84/1100215084.db2.gz KEHKGOPGQLJZHD-HUBLWGQQSA-N 1 0 323.820 3.128 20 10 DGCDRO CCC[NH+]1C[C@@H]2CN(Cc3cc(Cl)cc(C)c3O)C[C@H]2C1 ZINC001237690357 1100215141 /nfs/dbraw/zinc/21/51/41/1100215141.db2.gz WIMQTPBLQNMTBX-HUUCEWRRSA-N 1 0 308.853 3.128 20 10 DGCDRO Cc1cc(F)cc(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c1O ZINC001238060748 1100347098 /nfs/dbraw/zinc/34/70/98/1100347098.db2.gz IDAFUNCJDPZVMW-UHFFFAOYSA-N 1 0 315.335 3.230 20 10 DGCDRO Cc1cc(F)cc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c1O ZINC001238064857 1100349108 /nfs/dbraw/zinc/34/91/08/1100349108.db2.gz DDSXYYVQHVERLJ-DLBZAZTESA-N 1 0 324.415 3.238 20 10 DGCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238070850 1100351182 /nfs/dbraw/zinc/35/11/82/1100351182.db2.gz PZBWWYJEWGVJBW-ZDUSSCGKSA-N 1 0 309.381 3.005 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@@H]1C[NH3+] ZINC001205637987 1100763153 /nfs/dbraw/zinc/76/31/53/1100763153.db2.gz KFOVRCMEOUTZGG-NWDGAFQWSA-N 1 0 316.367 3.218 20 10 DGCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2ccc(C)nc2)n1C ZINC001240220845 1100899514 /nfs/dbraw/zinc/89/95/14/1100899514.db2.gz MCMLNBMOFADREX-UHFFFAOYSA-N 1 0 309.369 3.429 20 10 DGCDRO Cn1ccc2ccc(-c3ccc4c([C@H]5CCC[NH2+]5)nnn4c3)cc21 ZINC001240573716 1101055902 /nfs/dbraw/zinc/05/59/02/1101055902.db2.gz IQGOZCRBCHOERL-MRXNPFEDSA-N 1 0 317.396 3.313 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)OC)C2)cc1 ZINC001203942374 1102213856 /nfs/dbraw/zinc/21/38/56/1102213856.db2.gz MXYKQHATWAPQBL-WBVHZDCISA-N 1 0 318.461 3.164 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC001203943387 1102236623 /nfs/dbraw/zinc/23/66/23/1102236623.db2.gz YTKVITHVJLZUFJ-KRWDZBQOSA-N 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CC/C=C(\C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001328312224 1103909378 /nfs/dbraw/zinc/90/93/78/1103909378.db2.gz BLINVRNJWDAAIJ-KAMPRCONSA-N 1 0 318.461 3.344 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001328401221 1103933831 /nfs/dbraw/zinc/93/38/31/1103933831.db2.gz VAOCBGYWMKKLGY-WOJBJXKFSA-N 1 0 313.489 3.393 20 10 DGCDRO CCCCC[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC001253558124 1104204184 /nfs/dbraw/zinc/20/41/84/1104204184.db2.gz TUNTWGXGQLPVST-ZDUSSCGKSA-N 1 0 316.239 3.186 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1O ZINC001329674534 1104363555 /nfs/dbraw/zinc/36/35/55/1104363555.db2.gz FQFOLONSAJZGCX-RYUDHWBXSA-N 1 0 309.406 3.172 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1Cc2ccccc2NC1=O ZINC001329755009 1104380553 /nfs/dbraw/zinc/38/05/53/1104380553.db2.gz PGSHFRLEBQCVIZ-KCXAZCMYSA-N 1 0 322.408 3.402 20 10 DGCDRO Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(N)cc2)CCN1 ZINC001246169723 1104417518 /nfs/dbraw/zinc/41/75/18/1104417518.db2.gz JFXJXALBIGKRDS-MJGOQNOKSA-N 1 0 313.420 3.299 20 10 DGCDRO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001330432730 1104549362 /nfs/dbraw/zinc/54/93/62/1104549362.db2.gz RMMSEZCTHAZZBC-INIZCTEOSA-N 1 0 324.424 3.036 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275774727 1104903277 /nfs/dbraw/zinc/90/32/77/1104903277.db2.gz UPFPOWAEZNOBKT-UHFFFAOYSA-N 1 0 322.399 3.121 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC3(CN(C)C3)C2)cc1 ZINC001275833789 1104926097 /nfs/dbraw/zinc/92/60/97/1104926097.db2.gz QYBUBGDTBBKZDA-UHFFFAOYSA-N 1 0 301.478 3.060 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C3(C)C[NH2+]C3)n2)cc1 ZINC001247804586 1104988592 /nfs/dbraw/zinc/98/85/92/1104988592.db2.gz KYTISJDNTXWINE-UHFFFAOYSA-N 1 0 308.385 3.005 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C)cc1 ZINC001276056206 1105006524 /nfs/dbraw/zinc/00/65/24/1105006524.db2.gz WRSBKOMAYIQIJS-PMACEKPBSA-N 1 0 309.457 3.373 20 10 DGCDRO CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2ccccc2)c1O ZINC001276139802 1105029197 /nfs/dbraw/zinc/02/91/97/1105029197.db2.gz CRINDGOYOCGBMH-OALUTQOASA-N 1 0 308.425 3.338 20 10 DGCDRO COC(=O)Cc1ccc(C[NH+]2C3CCCC2CCC3)c(O)c1 ZINC001249214365 1105247919 /nfs/dbraw/zinc/24/79/19/1105247919.db2.gz KLGGOFZIYPDJDK-UHFFFAOYSA-N 1 0 303.402 3.015 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[C@]1(C)O ZINC001249223854 1105249417 /nfs/dbraw/zinc/24/94/17/1105249417.db2.gz OYYSHJRPUCVHAM-DJJJIMSYSA-N 1 0 317.429 3.169 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCCC1=O ZINC001249223445 1105249489 /nfs/dbraw/zinc/24/94/89/1105249489.db2.gz GPZZKZJBLJDXNT-CYBMUJFWSA-N 1 0 315.413 3.377 20 10 DGCDRO CCC[N@H+](CCOC)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223580 1105249590 /nfs/dbraw/zinc/24/95/90/1105249590.db2.gz IBEFHIAZDLYWHA-UHFFFAOYSA-N 1 0 305.418 3.435 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCOC(C)(C)C3)ccc2O1 ZINC001249224174 1105249798 /nfs/dbraw/zinc/24/97/98/1105249798.db2.gz SUWBQXZRMOOSFX-UHFFFAOYSA-N 1 0 303.402 3.187 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@H](CO)CC3)ccc2O1 ZINC001249223581 1105249960 /nfs/dbraw/zinc/24/99/60/1105249960.db2.gz ICRISBUOMSYUNJ-AWEZNQCLSA-N 1 0 317.429 3.171 20 10 DGCDRO [NH3+][C@H](Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1O ZINC001249340158 1105271363 /nfs/dbraw/zinc/27/13/63/1105271363.db2.gz VWBUCAPXKDTHCT-CYBMUJFWSA-N 1 0 315.760 3.338 20 10 DGCDRO CCC[N@H+](CC)Cc1ccc(OCCCC(=O)OCC)cc1O ZINC001249726484 1105366808 /nfs/dbraw/zinc/36/68/08/1105366808.db2.gz SASKGYAMVWZREO-UHFFFAOYSA-N 1 0 323.433 3.346 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(O)cc1Br ZINC001250126484 1105447678 /nfs/dbraw/zinc/44/76/78/1105447678.db2.gz FIWLVIPXYLSQPG-XHVZSJERSA-N 1 0 314.198 3.395 20 10 DGCDRO CCOc1nccc(CN2CCc3cccc(O)c3C2)c1Cl ZINC001250385113 1105507166 /nfs/dbraw/zinc/50/71/66/1105507166.db2.gz ITSYHPJMNYHIPL-UHFFFAOYSA-N 1 0 318.804 3.398 20 10 DGCDRO Cc1cc2[nH]c(-c3ccc(N4CC[NH+](C)CC4)cc3)nc2cc1F ZINC001250773013 1105580531 /nfs/dbraw/zinc/58/05/31/1105580531.db2.gz HLMTZNWPMOHZAR-UHFFFAOYSA-N 1 0 324.403 3.429 20 10 DGCDRO CCCC[C@H](CC)COC[C@@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001253033554 1105880837 /nfs/dbraw/zinc/88/08/37/1105880837.db2.gz ZZXGFWBESPRXAK-WMZOPIPTSA-N 1 0 323.477 3.384 20 10 DGCDRO CCC[NH+](CCC)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001253963035 1106004843 /nfs/dbraw/zinc/00/48/43/1106004843.db2.gz JHYUJCKEJYELDT-UHFFFAOYSA-N 1 0 307.457 3.200 20 10 DGCDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001254039865 1106012169 /nfs/dbraw/zinc/01/21/69/1106012169.db2.gz IWPAWDPNBOSHJR-UXHICEINSA-N 1 0 313.489 3.345 20 10 DGCDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cnn1C ZINC001254720969 1106135899 /nfs/dbraw/zinc/13/58/99/1106135899.db2.gz DVZUUCSGHONERI-ISTVAULSSA-N 1 0 303.381 3.472 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C3CCSCC3)CC2)cc1 ZINC001255096028 1106178289 /nfs/dbraw/zinc/17/82/89/1106178289.db2.gz HXCZRSDANASNPH-UHFFFAOYSA-N 1 0 306.475 3.103 20 10 DGCDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001255119414 1106183939 /nfs/dbraw/zinc/18/39/39/1106183939.db2.gz UAOUDPIOEMLGSQ-GOSISDBHSA-N 1 0 308.425 3.025 20 10 DGCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](C)c1ccccc1O)C2 ZINC001255182338 1106201409 /nfs/dbraw/zinc/20/14/09/1106201409.db2.gz DTTLVPZUQCXXCG-ZQDZILKHSA-N 1 0 318.417 3.195 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001255372791 1106234685 /nfs/dbraw/zinc/23/46/85/1106234685.db2.gz ANTVHMKXSOIFKF-SJLPKXTDSA-N 1 0 318.461 3.306 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1CCCN(C)C1 ZINC001255479491 1106256632 /nfs/dbraw/zinc/25/66/32/1106256632.db2.gz IZPYTEHTBCINJC-KBXCAEBGSA-N 1 0 302.462 3.316 20 10 DGCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1O ZINC001255690130 1106295421 /nfs/dbraw/zinc/29/54/21/1106295421.db2.gz RCTWMLYJBFMPRR-GHMZBOCLSA-N 1 0 319.323 3.057 20 10 DGCDRO Oc1cccc2c1C[N@@H+](C1CCN(Cc3ccccc3)CC1)CC2 ZINC001256608599 1106453028 /nfs/dbraw/zinc/45/30/28/1106453028.db2.gz FLACVJOXRBVENZ-UHFFFAOYSA-N 1 0 322.452 3.415 20 10 DGCDRO COCCOc1ccc(N2CC[NH+]([C@H](C)CC3CC3)CC2)cc1 ZINC001258471896 1106767807 /nfs/dbraw/zinc/76/78/07/1106767807.db2.gz HFXQMWODYWRKRW-MRXNPFEDSA-N 1 0 318.461 3.022 20 10 DGCDRO CCOC(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001258475087 1106769965 /nfs/dbraw/zinc/76/99/65/1106769965.db2.gz AFLGMELHDMTEAF-OAHLLOKOSA-N 1 0 304.434 3.108 20 10 DGCDRO CCOC(=O)CC[C@@H](C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001258496811 1106778991 /nfs/dbraw/zinc/77/89/91/1106778991.db2.gz VXNWXNYAOHMQSM-MRXNPFEDSA-N 1 0 318.461 3.450 20 10 DGCDRO CC[C@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1cc(Cl)ccc1O ZINC001320533430 1107044191 /nfs/dbraw/zinc/04/41/91/1107044191.db2.gz JHIWBPVXVMNYGW-AWEZNQCLSA-N 1 0 321.808 3.399 20 10 DGCDRO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)C(F)(F)F ZINC001320774828 1107133421 /nfs/dbraw/zinc/13/34/21/1107133421.db2.gz IGPWBJNKZUVJQE-HNNXBMFYSA-N 1 0 316.367 3.032 20 10 DGCDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001321026147 1107225232 /nfs/dbraw/zinc/22/52/32/1107225232.db2.gz XMXZRYPCWMZEBO-SFHVURJKSA-N 1 0 324.472 3.400 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(C)(C)C ZINC001261787036 1107529599 /nfs/dbraw/zinc/52/95/99/1107529599.db2.gz BAOXXOFDUNMIJW-HNNXBMFYSA-N 1 0 300.393 3.182 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c1O ZINC001262111768 1107623419 /nfs/dbraw/zinc/62/34/19/1107623419.db2.gz PDBBFPSFTDYLKE-IFXJQAMLSA-N 1 0 315.413 3.095 20 10 DGCDRO COc1ccc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c(O)c1OC ZINC001262357188 1107686845 /nfs/dbraw/zinc/68/68/45/1107686845.db2.gz BSCHMLKRCRXYGM-STQMWFEESA-N 1 0 311.447 3.125 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)ccc1OC ZINC001322714453 1107741967 /nfs/dbraw/zinc/74/19/67/1107741967.db2.gz QSWHLIHMPVJDCM-ROUUACIJSA-N 1 0 320.477 3.194 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCC(CO)CC1 ZINC001323741059 1108073966 /nfs/dbraw/zinc/07/39/66/1108073966.db2.gz RWCQZRSLEHHJKH-UHFFFAOYSA-N 1 0 302.462 3.270 20 10 DGCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001323829799 1108098997 /nfs/dbraw/zinc/09/89/97/1108098997.db2.gz MXEHTCTUKBVMCP-CHWSQXEVSA-N 1 0 304.434 3.001 20 10 DGCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001323829803 1108099027 /nfs/dbraw/zinc/09/90/27/1108099027.db2.gz MXEHTCTUKBVMCP-QWHCGFSZSA-N 1 0 304.434 3.001 20 10 DGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001323875986 1108110787 /nfs/dbraw/zinc/11/07/87/1108110787.db2.gz DKNWHUZCPQABSS-RZLSGREXSA-N 1 0 305.418 3.033 20 10 DGCDRO COCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001324085674 1108172281 /nfs/dbraw/zinc/17/22/81/1108172281.db2.gz BEUKXXRRYINNON-HUUCEWRRSA-N 1 0 319.445 3.282 20 10 DGCDRO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001324745708 1108449507 /nfs/dbraw/zinc/44/95/07/1108449507.db2.gz FAKPBHBRIYQZLQ-QFBILLFUSA-N 1 0 301.478 3.201 20 10 DGCDRO CC/C=C(/C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319428288 1108460362 /nfs/dbraw/zinc/46/03/62/1108460362.db2.gz GZIFNQWCRQHUKN-WPMUKRGUSA-N 1 0 318.461 3.296 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001324965658 1108539504 /nfs/dbraw/zinc/53/95/04/1108539504.db2.gz RPVHMUMMIWKTLX-ZNMIVQPWSA-N 1 0 318.461 3.391 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC001319701438 1108600984 /nfs/dbraw/zinc/60/09/84/1108600984.db2.gz XBDRZIOCLRZPJJ-FQEVSTJZSA-N 1 0 313.489 3.347 20 10 DGCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001319828786 1108654135 /nfs/dbraw/zinc/65/41/35/1108654135.db2.gz NACDEQGARIKQRX-IBGZPJMESA-N 1 0 315.505 3.451 20 10 DGCDRO CCOc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CO)c(O)c1 ZINC001319828226 1108654398 /nfs/dbraw/zinc/65/43/98/1108654398.db2.gz FHNBIBFYNCPKIB-OAHLLOKOSA-N 1 0 315.413 3.174 20 10 DGCDRO CC[C@@H]1C[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266175177 1109115567 /nfs/dbraw/zinc/11/55/67/1109115567.db2.gz GBSLEKWHDHERLN-DJIMGWMZSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@H](C)[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001289599740 1110216350 /nfs/dbraw/zinc/21/63/50/1110216350.db2.gz IHLIBVRCCZFOOB-DAYGRLMNSA-N 1 0 319.493 3.154 20 10 DGCDRO CCCC[N@H+](CCN1C[C@H](C)O[C@@H](C)C1)Cc1ccccc1O ZINC001307722777 1111331741 /nfs/dbraw/zinc/33/17/41/1111331741.db2.gz ZPXBPTJHYNWYFM-IRXDYDNUSA-N 1 0 320.477 3.104 20 10 DGCDRO CCOCc1cc(CNCCC[NH+]2CCCCC2)ccc1OC ZINC001308186251 1111392873 /nfs/dbraw/zinc/39/28/73/1111392873.db2.gz VECSPRNDKBZXAB-UHFFFAOYSA-N 1 0 320.477 3.197 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(N(C)C)s2)cc1 ZINC001308207340 1111397369 /nfs/dbraw/zinc/39/73/69/1111397369.db2.gz JOTAXAYDYNPWFD-UHFFFAOYSA-N 1 0 318.490 3.345 20 10 DGCDRO c1cn(-c2csc(C[NH2+]Cc3ccc4c(c3)CCO4)c2)cn1 ZINC001308236070 1111402436 /nfs/dbraw/zinc/40/24/36/1111402436.db2.gz USJKPKUZDJJOQG-UHFFFAOYSA-N 1 0 311.410 3.159 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2cccc(O)c2)ccc1OC ZINC001308243368 1111403789 /nfs/dbraw/zinc/40/37/89/1111403789.db2.gz MOXIMAUMMZPEKK-UHFFFAOYSA-N 1 0 301.386 3.227 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)cc1F ZINC001308262985 1111407030 /nfs/dbraw/zinc/40/70/30/1111407030.db2.gz YECKOSHWLRDJOC-LJQANCHMSA-N 1 0 314.404 3.295 20 10 DGCDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001308295338 1111413097 /nfs/dbraw/zinc/41/30/97/1111413097.db2.gz JTWOFRNIJMZIDV-GJZGRUSLSA-N 1 0 324.465 3.036 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1O ZINC001308579206 1111447720 /nfs/dbraw/zinc/44/77/20/1111447720.db2.gz YWMBAEIZJRPJIR-GOSISDBHSA-N 1 0 302.462 3.405 20 10 DGCDRO C[NH+]1CCC(CN2CCCc3cc(OC(F)F)ccc32)CC1 ZINC001308670277 1111458319 /nfs/dbraw/zinc/45/83/19/1111458319.db2.gz PGVBGBNGRFOXIR-UHFFFAOYSA-N 1 0 310.388 3.382 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC001308723261 1111466136 /nfs/dbraw/zinc/46/61/36/1111466136.db2.gz OZJADXWKZMFYNB-KRWDZBQOSA-N 1 0 304.478 3.339 20 10 DGCDRO O=c1oc2ccc(C[NH2+]Cc3cc(Cl)ccc3O)cc2o1 ZINC001308845879 1111483974 /nfs/dbraw/zinc/48/39/74/1111483974.db2.gz MYKNJYSOQROWHV-UHFFFAOYSA-N 1 0 305.717 3.035 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCc4ccccc4C3)C2)cc1 ZINC001308859821 1111485606 /nfs/dbraw/zinc/48/56/06/1111485606.db2.gz NLQSLJBYWSEQDM-MOPGFXCFSA-N 1 0 322.452 3.421 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2)c(O)c1OC ZINC001308966042 1111501627 /nfs/dbraw/zinc/50/16/27/1111501627.db2.gz LONQBVIQUFQQFO-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]C2CC3(CCC3)C2)N(C)C)cc1 ZINC001308973138 1111502542 /nfs/dbraw/zinc/50/25/42/1111502542.db2.gz VWWNWJCRFWHXSP-SFHVURJKSA-N 1 0 301.478 3.278 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000079064703 185152496 /nfs/dbraw/zinc/15/24/96/185152496.db2.gz VCNVUAOIRISDAC-KRWDZBQOSA-N 1 0 304.821 3.229 20 10 DGCDRO CC[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000090083105 185281330 /nfs/dbraw/zinc/28/13/30/185281330.db2.gz DOHNMJRJHORJPK-LJQANCHMSA-N 1 0 320.477 3.379 20 10 DGCDRO COc1ccc([C@H]2CC[N@H+](Cc3cccc(OC)c3O)C2)cc1 ZINC000092783464 185341103 /nfs/dbraw/zinc/34/11/03/185341103.db2.gz LTBOUXSJMKWPPG-HNNXBMFYSA-N 1 0 313.397 3.399 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2cccc(F)c2)cc1OC ZINC000179560847 432062473 /nfs/dbraw/zinc/06/24/73/432062473.db2.gz QPLOEUCCRXGRAJ-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO COc1cccc(Cl)c1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000188280937 200221435 /nfs/dbraw/zinc/22/14/35/200221435.db2.gz VMBKFOWBDSEWFM-UHFFFAOYSA-N 1 0 321.760 3.073 20 10 DGCDRO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000184305446 296004922 /nfs/dbraw/zinc/00/49/22/296004922.db2.gz XEGFMPQYYNKISI-WCJKSRRJSA-N 1 0 322.518 3.485 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N(C)C)cc1 ZINC000134786013 296157819 /nfs/dbraw/zinc/15/78/19/296157819.db2.gz IXLYGSTUUNFSQQ-RNJTYBCJSA-N 1 0 300.446 3.361 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](C)CCO)c1cc(Br)ccc1O ZINC000097439471 193720499 /nfs/dbraw/zinc/72/04/99/193720499.db2.gz OOKWEVKXIKGQBE-ZWNOBZJWSA-N 1 0 316.239 3.214 20 10 DGCDRO CC[C@H]([NH2+]CCCOC)c1cc(Br)ccc1O ZINC000020142519 182191779 /nfs/dbraw/zinc/19/17/79/182191779.db2.gz FYEKROIHRYDJGM-LBPRGKRZSA-N 1 0 302.212 3.232 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000020146017 182192656 /nfs/dbraw/zinc/19/26/56/182192656.db2.gz LCIBJUMJZFBGPK-UHFFFAOYSA-N 1 0 309.207 3.398 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C ZINC000268821793 432142751 /nfs/dbraw/zinc/14/27/51/432142751.db2.gz HVNMKAAFBPTHST-KRWDZBQOSA-N 1 0 308.441 3.311 20 10 DGCDRO Cc1c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cnn1C ZINC000268942403 432149037 /nfs/dbraw/zinc/14/90/37/432149037.db2.gz SYUYOOFYUSQTRE-UHFFFAOYSA-N 1 0 300.450 3.205 20 10 DGCDRO C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)c1ccccc1O ZINC000183722838 533378334 /nfs/dbraw/zinc/37/83/34/533378334.db2.gz YXKZJNWMUJTIRC-CYBMUJFWSA-N 1 0 308.422 3.348 20 10 DGCDRO CC[C@H]([NH2+]CCCc1nc(C)no1)c1ccc(N(C)C)cc1 ZINC000271464786 129919469 /nfs/dbraw/zinc/91/94/69/129919469.db2.gz KVSJKJHKCIJJFY-INIZCTEOSA-N 1 0 302.422 3.118 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1O ZINC000272470018 130033203 /nfs/dbraw/zinc/03/32/03/130033203.db2.gz ABJYJJVDYUGOQL-OAHLLOKOSA-N 1 0 313.397 3.302 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1O ZINC000273364758 130112873 /nfs/dbraw/zinc/11/28/73/130112873.db2.gz DTRIFRGBBUNJSX-TZMCWYRMSA-N 1 0 321.367 3.172 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273449163 130124495 /nfs/dbraw/zinc/12/44/95/130124495.db2.gz FONMVEDPLFZMCT-CJNGLKHVSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c(O)c1C ZINC000273467880 130125457 /nfs/dbraw/zinc/12/54/57/130125457.db2.gz FCGUOKZOLNZVSO-RHSMWYFYSA-N 1 0 308.491 3.097 20 10 DGCDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273486761 130127620 /nfs/dbraw/zinc/12/76/20/130127620.db2.gz NHVYBQDZANUGEQ-RRMDADRESA-N 1 0 309.475 3.079 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000273548800 130135573 /nfs/dbraw/zinc/13/55/73/130135573.db2.gz ZXICVYUDXANHBG-BZNIZROVSA-N 1 0 321.804 3.438 20 10 DGCDRO CCC[N@H+](Cc1cn(C)nc1C(F)F)Cc1ccccc1O ZINC000274468132 130238132 /nfs/dbraw/zinc/23/81/32/130238132.db2.gz JBPONNLBUOOLCH-UHFFFAOYSA-N 1 0 309.360 3.476 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)N(C)C)c1O ZINC000275387137 130312893 /nfs/dbraw/zinc/31/28/93/130312893.db2.gz YJDYPGVQLWNVIF-MNOVXSKESA-N 1 0 315.255 3.064 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)N(C)C)c1O ZINC000275387160 130313702 /nfs/dbraw/zinc/31/37/02/130313702.db2.gz YJDYPGVQLWNVIF-WDEREUQCSA-N 1 0 315.255 3.064 20 10 DGCDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000284391835 131076328 /nfs/dbraw/zinc/07/63/28/131076328.db2.gz PHLZJGAHYVPBBG-GOSISDBHSA-N 1 0 302.462 3.174 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1C ZINC000284973609 131127403 /nfs/dbraw/zinc/12/74/03/131127403.db2.gz BGVXZOLHVVJXAO-HNNXBMFYSA-N 1 0 317.351 3.288 20 10 DGCDRO Cc1cccc(CCC[NH2+]Cc2ccc(N(C)C)c(F)c2)n1 ZINC000285378822 131162671 /nfs/dbraw/zinc/16/26/71/131162671.db2.gz BJPAMWADHBXXMD-UHFFFAOYSA-N 1 0 301.409 3.318 20 10 DGCDRO CSc1cccc(F)c1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000285460424 131170628 /nfs/dbraw/zinc/17/06/28/131170628.db2.gz GVMCRQAPBYRDBA-UHFFFAOYSA-N 1 0 321.373 3.272 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285533668 131178288 /nfs/dbraw/zinc/17/82/88/131178288.db2.gz LBQIBDPARJMBSY-HNNXBMFYSA-N 1 0 316.367 3.032 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1ccc(F)cc1[O-] ZINC000286277436 131227987 /nfs/dbraw/zinc/22/79/87/131227987.db2.gz VPBYOVMTPDWHKJ-BLLLJJGKSA-N 1 0 305.397 3.413 20 10 DGCDRO C[C@H]([NH2+]CC1=CCCOC1)c1cc(Br)ccc1O ZINC000287201900 131268957 /nfs/dbraw/zinc/26/89/57/131268957.db2.gz WIZXIFFEWRRFRP-JTQLQIEISA-N 1 0 312.207 3.152 20 10 DGCDRO CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1cccc(Cl)c1[O-] ZINC000287899363 131305373 /nfs/dbraw/zinc/30/53/73/131305373.db2.gz ZMPVTFBDSGDCPZ-HNNXBMFYSA-N 1 0 314.857 3.055 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCCCCC(=O)OC)c(O)c1 ZINC000289147315 131361215 /nfs/dbraw/zinc/36/12/15/131361215.db2.gz AVJIRYVYTAOZHQ-UHFFFAOYSA-N 1 0 309.406 3.004 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC[C@H](O)c2ccccc2)c(O)c1 ZINC000289406915 131384025 /nfs/dbraw/zinc/38/40/25/131384025.db2.gz HFRCQZXUJWWCFL-SFHVURJKSA-N 1 0 315.413 3.394 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)c1O ZINC000289538063 131394485 /nfs/dbraw/zinc/39/44/85/131394485.db2.gz WOCGCCSVPKUAJV-OAHLLOKOSA-N 1 0 313.397 3.057 20 10 DGCDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000289701222 131408609 /nfs/dbraw/zinc/40/86/09/131408609.db2.gz IQOMKTFIMROELH-AWEZNQCLSA-N 1 0 316.424 3.432 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000299135743 132090989 /nfs/dbraw/zinc/09/09/89/132090989.db2.gz FYKRZMRZIYDNCW-SFHVURJKSA-N 1 0 324.424 3.015 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](CCCO)Cc2ccccc2)c1 ZINC000093102200 400226035 /nfs/dbraw/zinc/22/60/35/400226035.db2.gz WYHWTCGRNYUEIY-UHFFFAOYSA-N 1 0 315.413 3.176 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(O)c1 ZINC000093585848 400250015 /nfs/dbraw/zinc/25/00/15/400250015.db2.gz UEOLBHNXZRYZMN-APWZRJJASA-N 1 0 319.445 3.308 20 10 DGCDRO COc1cc(O)c(C[N@H+](Cc2ccco2)C(C)C)cc1OC ZINC000271080390 286238969 /nfs/dbraw/zinc/23/89/69/286238969.db2.gz INTZIRQTYOGWOZ-UHFFFAOYSA-N 1 0 305.374 3.413 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1n1ccnc1 ZINC000246773554 432165415 /nfs/dbraw/zinc/16/54/15/432165415.db2.gz PZHIOQPXSALXDU-IUODEOHRSA-N 1 0 305.809 3.325 20 10 DGCDRO Cc1noc(CCC[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000269441025 432174274 /nfs/dbraw/zinc/17/42/74/432174274.db2.gz DOFPOMJYYOQZEG-UHFFFAOYSA-N 1 0 316.449 3.287 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1C ZINC000182093761 228365853 /nfs/dbraw/zinc/36/58/53/228365853.db2.gz CLMPTIMPKHINCH-INIZCTEOSA-N 1 0 313.445 3.197 20 10 DGCDRO C[C@H]([NH2+]CC1CCOCC1)c1cc(Br)ccc1O ZINC000185260901 228390938 /nfs/dbraw/zinc/39/09/38/228390938.db2.gz JVKLZENQUNCNED-JTQLQIEISA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(CO)c1 ZINC000270541370 432256296 /nfs/dbraw/zinc/25/62/96/432256296.db2.gz XMFABWBSFXJASO-CYBMUJFWSA-N 1 0 302.393 3.235 20 10 DGCDRO COc1cccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c1O ZINC000191121818 274147018 /nfs/dbraw/zinc/14/70/18/274147018.db2.gz QHOLTQAWAMAEQM-AWEZNQCLSA-N 1 0 303.333 3.153 20 10 DGCDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185113951 275587154 /nfs/dbraw/zinc/58/71/54/275587154.db2.gz GGWDKUDIBCJICU-PWSUYJOCSA-N 1 0 316.239 3.212 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCCCC1 ZINC000076074237 276002835 /nfs/dbraw/zinc/00/28/35/276002835.db2.gz LIMHURPOIQMMJB-OAHLLOKOSA-N 1 0 304.434 3.005 20 10 DGCDRO CC[C@H](COC)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185503801 276572395 /nfs/dbraw/zinc/57/23/95/276572395.db2.gz NQUAIERDFWLYAS-MWLCHTKSSA-N 1 0 302.212 3.230 20 10 DGCDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccsc1 ZINC000295912026 276827537 /nfs/dbraw/zinc/82/75/37/276827537.db2.gz JFZFPAGGKSMWDZ-GJZGRUSLSA-N 1 0 302.443 3.334 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000280088140 276883414 /nfs/dbraw/zinc/88/34/14/276883414.db2.gz YXFCQIKWCPXBOB-LBPRGKRZSA-N 1 0 316.367 3.288 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c(O)c1 ZINC000185687574 278854953 /nfs/dbraw/zinc/85/49/53/278854953.db2.gz RTJDHJQVOGNBNN-KBPBESRZSA-N 1 0 315.392 3.164 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)c1O ZINC000074334549 431416397 /nfs/dbraw/zinc/41/63/97/431416397.db2.gz CRLPXBLWUJNVAY-QGZVFWFLSA-N 1 0 314.429 3.183 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1cc(Br)ccc1O ZINC000119221205 431662801 /nfs/dbraw/zinc/66/28/01/431662801.db2.gz HTLSLIHKYOKELC-TZMCWYRMSA-N 1 0 316.239 3.212 20 10 DGCDRO C[N@H+](Cc1ccsc1)Cc1ccc(N2CCOCC2)cc1 ZINC000120467755 431727165 /nfs/dbraw/zinc/72/71/65/431727165.db2.gz WYZXXMNZMIGJSC-UHFFFAOYSA-N 1 0 302.443 3.217 20 10 DGCDRO CN(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1cccs1 ZINC000037362882 431846262 /nfs/dbraw/zinc/84/62/62/431846262.db2.gz DTKQBYSSKJDKLL-OAHLLOKOSA-N 1 0 302.443 3.076 20 10 DGCDRO CC[C@H]([NH2+]Cc1c[nH]nc1C)c1cc(Br)ccc1O ZINC000038011171 431853174 /nfs/dbraw/zinc/85/31/74/431853174.db2.gz CDNPEIJNMYIIED-ZDUSSCGKSA-N 1 0 324.222 3.427 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000092756251 431910731 /nfs/dbraw/zinc/91/07/31/431910731.db2.gz ALIZMJQQQDARSO-HXUWFJFHSA-N 1 0 313.489 3.347 20 10 DGCDRO COc1cccc(C[NH+]2CCC(C3CCOCC3)CC2)c1O ZINC000093705113 431917199 /nfs/dbraw/zinc/91/71/99/431917199.db2.gz SYHBBKMLDDQFRR-UHFFFAOYSA-N 1 0 305.418 3.039 20 10 DGCDRO Cc1noc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000091835231 431905038 /nfs/dbraw/zinc/90/50/38/431905038.db2.gz DAXNYZNHTSKQFH-UHFFFAOYSA-N 1 0 307.781 3.117 20 10 DGCDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183459398 432295873 /nfs/dbraw/zinc/29/58/73/432295873.db2.gz FJDMMSXFNYTMEX-ZDUSSCGKSA-N 1 0 301.386 3.303 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(N2CCCCCC2)cc1 ZINC000183201359 432268343 /nfs/dbraw/zinc/26/83/43/432268343.db2.gz SVULTIOTHDZVMR-OAHLLOKOSA-N 1 0 317.477 3.229 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000152308625 432322090 /nfs/dbraw/zinc/32/20/90/432322090.db2.gz WIOMOSBVIUSWJW-HZPDHXFCSA-N 1 0 311.429 3.330 20 10 DGCDRO Cc1cccc2c(CC[NH2+]Cc3cc4c(cc3O)OCO4)c[nH]c21 ZINC000174447384 432347191 /nfs/dbraw/zinc/34/71/91/432347191.db2.gz WCTIXHDWHJYANL-UHFFFAOYSA-N 1 0 324.380 3.243 20 10 DGCDRO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000174515365 432354315 /nfs/dbraw/zinc/35/43/15/432354315.db2.gz DWQDAIPIKVNASQ-GDBMZVCRSA-N 1 0 307.457 3.244 20 10 DGCDRO C[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccccc1O ZINC000183609249 432307590 /nfs/dbraw/zinc/30/75/90/432307590.db2.gz WWIKTQFVSGWJAB-LBPRGKRZSA-N 1 0 313.376 3.311 20 10 DGCDRO CCOCCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000184831058 432438700 /nfs/dbraw/zinc/43/87/00/432438700.db2.gz STIHBXCBPHPACI-JTQLQIEISA-N 1 0 302.212 3.232 20 10 DGCDRO COC1(C)CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000271734981 432422156 /nfs/dbraw/zinc/42/21/56/432422156.db2.gz NUDPVUSIIYSBIV-UHFFFAOYSA-N 1 0 311.809 3.249 20 10 DGCDRO CC[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccccc1O ZINC000271687378 432422359 /nfs/dbraw/zinc/42/23/59/432422359.db2.gz JPVXTESQXJEJHI-INIZCTEOSA-N 1 0 304.434 3.224 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1O ZINC000271762250 432424810 /nfs/dbraw/zinc/42/48/10/432424810.db2.gz FBGZHDQLBDKXAC-JKSUJKDBSA-N 1 0 301.386 3.382 20 10 DGCDRO CCOc1cccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c1O ZINC000271829563 432425920 /nfs/dbraw/zinc/42/59/20/432425920.db2.gz ONGMFZHGKWIJQW-AWEZNQCLSA-N 1 0 307.434 3.069 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c(O)c1 ZINC000193503691 432477592 /nfs/dbraw/zinc/47/75/92/432477592.db2.gz FTOANGTWHQKDBA-STQMWFEESA-N 1 0 316.367 3.235 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c(O)c1 ZINC000193503711 432477791 /nfs/dbraw/zinc/47/77/91/432477791.db2.gz FTOANGTWHQKDBA-CHWSQXEVSA-N 1 0 316.367 3.235 20 10 DGCDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000185313260 432489771 /nfs/dbraw/zinc/48/97/71/432489771.db2.gz MJZMPQWSHOCUSI-AWEZNQCLSA-N 1 0 313.445 3.288 20 10 DGCDRO C[C@H]([NH2+]CCSCCCO)c1cc2c(cc1O)CCCC2 ZINC000185378940 432496268 /nfs/dbraw/zinc/49/62/68/432496268.db2.gz QSFRAISEBOKNJH-ZDUSSCGKSA-N 1 0 309.475 3.037 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2O)c1 ZINC000185418830 432499082 /nfs/dbraw/zinc/49/90/82/432499082.db2.gz SZHWZGJDWGEYGA-PIGZYNQJSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185419555 432499391 /nfs/dbraw/zinc/49/93/91/432499391.db2.gz PIFMQCNOBZFKFB-ACJLOTCBSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000185418812 432499569 /nfs/dbraw/zinc/49/95/69/432499569.db2.gz SZHWZGJDWGEYGA-APPDUMDISA-N 1 0 321.804 3.438 20 10 DGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185438189 432501109 /nfs/dbraw/zinc/50/11/09/432501109.db2.gz YBEPKMUIOWCNDU-BHDSKKPTSA-N 1 0 316.239 3.212 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000193872895 432505105 /nfs/dbraw/zinc/50/51/05/432505105.db2.gz QQARPJZEURKFJQ-ZMSDIMECSA-N 1 0 304.434 3.135 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(F)ccc1O ZINC000185526397 432508249 /nfs/dbraw/zinc/50/82/49/432508249.db2.gz PRBKLIVASOGXTL-HIFRSBDPSA-N 1 0 303.377 3.348 20 10 DGCDRO COCCOCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153993891 432462856 /nfs/dbraw/zinc/46/28/56/432462856.db2.gz KNNCVRNZNMJFBI-HNNXBMFYSA-N 1 0 324.440 3.130 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccco2)c1O ZINC000185125903 432468625 /nfs/dbraw/zinc/46/86/25/432468625.db2.gz FVVNGOGHSBKQEP-CQSZACIVSA-N 1 0 323.776 3.055 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1O ZINC000155544046 432560501 /nfs/dbraw/zinc/56/05/01/432560501.db2.gz DBEKLPZKDJECBU-CQSZACIVSA-N 1 0 316.367 3.460 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136187 432561870 /nfs/dbraw/zinc/56/18/70/432561870.db2.gz IXMSDKDPYGHRFX-CKEIUWERSA-N 1 0 307.459 3.406 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000272503627 432514193 /nfs/dbraw/zinc/51/41/93/432514193.db2.gz HLSBUNWDXMXIRD-HNNXBMFYSA-N 1 0 313.397 3.302 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193970155 432514399 /nfs/dbraw/zinc/51/43/99/432514399.db2.gz DNGCHOZMEINEGH-GUDVDZBRSA-N 1 0 312.457 3.334 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c1 ZINC000185609716 432514744 /nfs/dbraw/zinc/51/47/44/432514744.db2.gz LQCBUHQFRXCIOD-CQSZACIVSA-N 1 0 317.458 3.036 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1O ZINC000272805511 432534479 /nfs/dbraw/zinc/53/44/79/432534479.db2.gz BZUTUJHKETZXOI-ZFWWWQNUSA-N 1 0 303.377 3.033 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccccc1O ZINC000272805508 432535290 /nfs/dbraw/zinc/53/52/90/432535290.db2.gz BZUTUJHKETZXOI-DZGCQCFKSA-N 1 0 303.377 3.033 20 10 DGCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)NC1CC1)Cc1ccccc1O ZINC000176674198 432541873 /nfs/dbraw/zinc/54/18/73/432541873.db2.gz YUCDNHNCEPAZDV-OAHLLOKOSA-N 1 0 324.424 3.234 20 10 DGCDRO C[C@@H]([NH2+]CCn1ccnc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000155647071 432565716 /nfs/dbraw/zinc/56/57/16/432565716.db2.gz RIMIJVPHAMWWCC-OAHLLOKOSA-N 1 0 316.424 3.363 20 10 DGCDRO CCCN(Cc1cnc2c(c1)c(C)nn2C)c1ccc(C[NH3+])cc1 ZINC000194981304 432590872 /nfs/dbraw/zinc/59/08/72/432590872.db2.gz XSBVZSDCKDLARZ-UHFFFAOYSA-N 1 0 323.444 3.152 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1C ZINC000274326419 432652391 /nfs/dbraw/zinc/65/23/91/432652391.db2.gz YHUKVOZPQMKJGW-HTAPYJJXSA-N 1 0 317.454 3.213 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CCCO)c1O ZINC000187294792 432656238 /nfs/dbraw/zinc/65/62/38/432656238.db2.gz YGYWWXQXXZPBTI-QWRGUYRKSA-N 1 0 316.239 3.275 20 10 DGCDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178365507 432726140 /nfs/dbraw/zinc/72/61/40/432726140.db2.gz NKLWCKWTZOVSKP-APWZRJJASA-N 1 0 320.477 3.115 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000227684607 432712855 /nfs/dbraw/zinc/71/28/55/432712855.db2.gz UWIZBLKDBCXMJW-STQMWFEESA-N 1 0 308.422 3.264 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000227690839 432713374 /nfs/dbraw/zinc/71/33/74/432713374.db2.gz HVUCFUWKVILIKU-WDEREUQCSA-N 1 0 312.385 3.095 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1 ZINC000178535529 432749985 /nfs/dbraw/zinc/74/99/85/432749985.db2.gz ADJXFVJFIJTYJO-CYBMUJFWSA-N 1 0 306.425 3.065 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1 ZINC000178409783 432732184 /nfs/dbraw/zinc/73/21/84/432732184.db2.gz ROCGMNXBLFMWRL-SPLOXXLWSA-N 1 0 310.507 3.341 20 10 DGCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000276755551 432825028 /nfs/dbraw/zinc/82/50/28/432825028.db2.gz UEFCTVGLNZLURL-CQSZACIVSA-N 1 0 312.413 3.016 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000276456805 432809281 /nfs/dbraw/zinc/80/92/81/432809281.db2.gz VLTMEAZPTKRHOY-ORAYPTAESA-N 1 0 315.413 3.347 20 10 DGCDRO COc1ncc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1Cl ZINC000296278946 432891546 /nfs/dbraw/zinc/89/15/46/432891546.db2.gz DYEIYGKYWLCRJF-VIFPVBQESA-N 1 0 310.756 3.439 20 10 DGCDRO C[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296653911 432924525 /nfs/dbraw/zinc/92/45/25/432924525.db2.gz ZDGRODORQQOAHB-UONOGXRCSA-N 1 0 304.434 3.067 20 10 DGCDRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3cccc(C)c3O)n2)c1 ZINC000279141614 432938848 /nfs/dbraw/zinc/93/88/48/432938848.db2.gz ZFQQVPKXVFYFSU-CYBMUJFWSA-N 1 0 323.400 3.040 20 10 DGCDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)[nH]1 ZINC000296404350 432904363 /nfs/dbraw/zinc/90/43/63/432904363.db2.gz KNJHDQZPCXDLAW-GMXVVIOVSA-N 1 0 300.406 3.362 20 10 DGCDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)[nH]1 ZINC000296404358 432904644 /nfs/dbraw/zinc/90/46/44/432904644.db2.gz KNJHDQZPCXDLAW-LOWVWBTDSA-N 1 0 300.406 3.362 20 10 DGCDRO COc1c([O-])c(C[NH2+]C2(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278892002 432913275 /nfs/dbraw/zinc/91/32/75/432913275.db2.gz PVCDFYHLINUKPW-UHFFFAOYSA-N 1 0 314.341 3.088 20 10 DGCDRO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1cc(Cl)ccc1O ZINC000289719039 432973195 /nfs/dbraw/zinc/97/31/95/432973195.db2.gz JLWYUBCPEMSURU-NSHDSACASA-N 1 0 305.809 3.357 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c(O)c1 ZINC000297250537 432980622 /nfs/dbraw/zinc/98/06/22/432980622.db2.gz JFUXZUCXEZRODB-XJKSGUPXSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c(O)c1 ZINC000297250534 432980719 /nfs/dbraw/zinc/98/07/19/432980719.db2.gz JFUXZUCXEZRODB-CJNGLKHVSA-N 1 0 303.377 3.094 20 10 DGCDRO COc1cccc(C[NH2+]C[C@]2(C)OCCc3sccc32)c1O ZINC000289972026 432981359 /nfs/dbraw/zinc/98/13/59/432981359.db2.gz YYOFOVFJNIILCV-KRWDZBQOSA-N 1 0 319.426 3.040 20 10 DGCDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000279615418 432988721 /nfs/dbraw/zinc/98/87/21/432988721.db2.gz GEHNZKRGNCHYDF-IBGZPJMESA-N 1 0 302.462 3.414 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000280066691 433001480 /nfs/dbraw/zinc/00/14/80/433001480.db2.gz XHHYMUVVHYTAQQ-ZDUSSCGKSA-N 1 0 302.340 3.040 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@]2(C)CCOC2)c(C(F)(F)F)c1 ZINC000280391230 433044932 /nfs/dbraw/zinc/04/49/32/433044932.db2.gz VAJZUPYYWGBTQC-AWEZNQCLSA-N 1 0 302.340 3.040 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1F ZINC000297933931 433033908 /nfs/dbraw/zinc/03/39/08/433033908.db2.gz XURNRVOWNALXOS-HNNXBMFYSA-N 1 0 300.377 3.374 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000290617036 433118763 /nfs/dbraw/zinc/11/87/63/433118763.db2.gz XALJGZJMEUELAM-CQSZACIVSA-N 1 0 301.390 3.078 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1ccc(N(C)C)cc1 ZINC000280838541 433195387 /nfs/dbraw/zinc/19/53/87/433195387.db2.gz AJGRLDYCHIVZMJ-VQIMIIECSA-N 1 0 317.477 3.052 20 10 DGCDRO CCCN(Cc1cn(C)nc1C(F)F)c1ccc(C[NH3+])cc1 ZINC000291098157 433222962 /nfs/dbraw/zinc/22/29/62/433222962.db2.gz ZICGINZIEGHSKJ-UHFFFAOYSA-N 1 0 308.376 3.233 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1O ZINC000281430263 433298072 /nfs/dbraw/zinc/29/80/72/433298072.db2.gz CCNYJEVXBZSCJH-GFCCVEGCSA-N 1 0 303.431 3.168 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1O ZINC000375334000 433433493 /nfs/dbraw/zinc/43/34/93/433433493.db2.gz AYWFQAOLQHAIGB-JKSUJKDBSA-N 1 0 323.820 3.392 20 10 DGCDRO Oc1ccc(Br)cc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000375355814 433436364 /nfs/dbraw/zinc/43/63/64/433436364.db2.gz XQKPAJSBXYMPIX-GFCCVEGCSA-N 1 0 322.206 3.215 20 10 DGCDRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc2ccccc2c1O ZINC000282315470 433563401 /nfs/dbraw/zinc/56/34/01/433563401.db2.gz NHNANVXMGUJPJN-QKVFXAPYSA-N 1 0 303.427 3.107 20 10 DGCDRO CCCCN(Cc1nc(C2CC2)no1)Cc1ccccc1O ZINC000282392483 433595054 /nfs/dbraw/zinc/59/50/54/433595054.db2.gz GZMNOAVBMLRSDM-UHFFFAOYSA-N 1 0 301.390 3.455 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282566760 433618331 /nfs/dbraw/zinc/61/83/31/433618331.db2.gz FCAHTXOQLNVNFP-KRWDZBQOSA-N 1 0 305.418 3.230 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)cc1F ZINC000362385650 433678163 /nfs/dbraw/zinc/67/81/63/433678163.db2.gz DKJBCXZGWMKVQT-INIZCTEOSA-N 1 0 316.424 3.135 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1O ZINC000362335530 433652153 /nfs/dbraw/zinc/65/21/53/433652153.db2.gz LSGFWKPTMCWCAB-MRXNPFEDSA-N 1 0 315.417 3.170 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c(O)c1 ZINC000293586087 433792748 /nfs/dbraw/zinc/79/27/48/433792748.db2.gz FFXQICPYGLTUBB-CYBMUJFWSA-N 1 0 308.422 3.184 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293794850 433870555 /nfs/dbraw/zinc/87/05/55/433870555.db2.gz UPACSVFMBKLPKF-HIFRSBDPSA-N 1 0 306.450 3.212 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CC3(SC)CC3)CC2)cc1 ZINC000377623024 433930211 /nfs/dbraw/zinc/93/02/11/433930211.db2.gz ZCOALIRGIWPTLK-UHFFFAOYSA-N 1 0 306.475 3.103 20 10 DGCDRO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)CCCO1 ZINC000310984291 434113641 /nfs/dbraw/zinc/11/36/41/434113641.db2.gz RMSBVDLCMJFAQN-UHFFFAOYSA-N 1 0 314.223 3.156 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000294664468 434128784 /nfs/dbraw/zinc/12/87/84/434128784.db2.gz ABHUGWVICPOVJK-ZDUSSCGKSA-N 1 0 303.324 3.069 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](Cc2ccccc2)OC)c1O ZINC000294768184 434142602 /nfs/dbraw/zinc/14/26/02/434142602.db2.gz JWDUSMMTDPBFGZ-KRWDZBQOSA-N 1 0 315.413 3.138 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1C ZINC000294825362 434145995 /nfs/dbraw/zinc/14/59/95/434145995.db2.gz PKHURNZWLXVNJB-OAHLLOKOSA-N 1 0 318.461 3.123 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C(C)(C)CO)cc1 ZINC000294969347 434156533 /nfs/dbraw/zinc/15/65/33/434156533.db2.gz FJSZXVUZNMVQBN-UHFFFAOYSA-N 1 0 304.459 3.245 20 10 DGCDRO COC1CCN(c2ccc(C[NH+]3C[C@H](C)[C@@H](C)C3)cc2)CC1 ZINC000295032120 434163709 /nfs/dbraw/zinc/16/37/09/434163709.db2.gz NCWPCPSZDUBZHQ-HOTGVXAUSA-N 1 0 302.462 3.390 20 10 DGCDRO COC1CCN(c2ccc(C[NH+]3CCC(CF)CC3)cc2)CC1 ZINC000295106460 434206087 /nfs/dbraw/zinc/20/60/87/434206087.db2.gz HVPJOLPCHYSLSH-UHFFFAOYSA-N 1 0 320.452 3.483 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1F ZINC000366251477 434370955 /nfs/dbraw/zinc/37/09/55/434370955.db2.gz OZSVKRSIWTWOFY-HNNXBMFYSA-N 1 0 306.425 3.140 20 10 DGCDRO CC(C)OC[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000372117453 434799731 /nfs/dbraw/zinc/79/97/31/434799731.db2.gz SRDPEZWNJDPUCX-INIZCTEOSA-N 1 0 315.413 3.171 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000529687524 435039521 /nfs/dbraw/zinc/03/95/21/435039521.db2.gz FVCCMFWTPITQFT-SFHVURJKSA-N 1 0 314.385 3.045 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000318428985 332721137 /nfs/dbraw/zinc/72/11/37/332721137.db2.gz NSMVZTDDFRQNTC-MOPGFXCFSA-N 1 0 300.446 3.334 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c1 ZINC000293661200 335114671 /nfs/dbraw/zinc/11/46/71/335114671.db2.gz IQEKYGJSYZZLIF-HIFRSBDPSA-N 1 0 307.434 3.240 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c1 ZINC000527966963 337780861 /nfs/dbraw/zinc/78/08/61/337780861.db2.gz WJPZDWFIUPJXJW-LBPRGKRZSA-N 1 0 311.385 3.138 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000269896294 500690041 /nfs/dbraw/zinc/69/00/41/500690041.db2.gz DNGCHOZMEINEGH-OTWHNJEPSA-N 1 0 312.457 3.334 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccnc2)c1O ZINC000181641916 518277116 /nfs/dbraw/zinc/27/71/16/518277116.db2.gz HSPXRRRCGINQOM-JTQLQIEISA-N 1 0 304.777 3.494 20 10 DGCDRO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158042682 518588178 /nfs/dbraw/zinc/58/81/78/518588178.db2.gz LFSBEJPXDCNXII-CQSZACIVSA-N 1 0 324.852 3.172 20 10 DGCDRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179934592 518822410 /nfs/dbraw/zinc/82/24/10/518822410.db2.gz LWMTZMZMPXYWHT-UHFFFAOYSA-N 1 0 324.396 3.020 20 10 DGCDRO CC(C)Cn1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC000182919357 519501560 /nfs/dbraw/zinc/50/15/60/519501560.db2.gz FNQRJRDHAUNOIY-UHFFFAOYSA-N 1 0 300.450 3.237 20 10 DGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000124236810 519874415 /nfs/dbraw/zinc/87/44/15/519874415.db2.gz BIMHMUWLPPQWJL-CYBMUJFWSA-N 1 0 324.852 3.174 20 10 DGCDRO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185027876 519891613 /nfs/dbraw/zinc/89/16/13/519891613.db2.gz ORYZHWCYFMBVEM-GFCCVEGCSA-N 1 0 316.376 3.132 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000156961754 520464860 /nfs/dbraw/zinc/46/48/60/520464860.db2.gz GRBNJQAFNRVGPO-OAHLLOKOSA-N 1 0 305.466 3.052 20 10 DGCDRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188682879 521626841 /nfs/dbraw/zinc/62/68/41/521626841.db2.gz WQJKWULAUMRYBR-AWEZNQCLSA-N 1 0 324.440 3.128 20 10 DGCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000227714352 522550389 /nfs/dbraw/zinc/55/03/89/522550389.db2.gz UASVTRCFLORHNC-STQMWFEESA-N 1 0 308.422 3.346 20 10 DGCDRO COC1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000124521968 522705885 /nfs/dbraw/zinc/70/58/85/522705885.db2.gz GERMFYXOMPDLBJ-UHFFFAOYSA-N 1 0 314.223 3.074 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccccc1 ZINC000181702596 522748799 /nfs/dbraw/zinc/74/87/99/522748799.db2.gz NWYGZVBZJCOUFY-KRWDZBQOSA-N 1 0 317.360 3.211 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2ccccc2)cc1OC ZINC000159880221 522768880 /nfs/dbraw/zinc/76/88/80/522768880.db2.gz DQPSEFYBUFTOMQ-UHFFFAOYSA-N 1 0 301.386 3.084 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(F)ccc2O)c(OC)c1 ZINC000179884209 524006758 /nfs/dbraw/zinc/00/67/58/524006758.db2.gz DDORBQTVGZJURF-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)cc1C ZINC000266155272 524072138 /nfs/dbraw/zinc/07/21/38/524072138.db2.gz LPTRQUXVTQYEID-GOSISDBHSA-N 1 0 303.402 3.211 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1C ZINC000265234404 524083548 /nfs/dbraw/zinc/08/35/48/524083548.db2.gz JIGISXVPZWCSDF-QGZVFWFLSA-N 1 0 324.424 3.178 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000191603481 524470416 /nfs/dbraw/zinc/47/04/16/524470416.db2.gz GLYHVAAXLANYKJ-XJKSGUPXSA-N 1 0 303.377 3.094 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2ccccc2OC(F)F)c1 ZINC000188994933 524751695 /nfs/dbraw/zinc/75/16/95/524751695.db2.gz YOMVHYGDLSVKOX-UHFFFAOYSA-N 1 0 323.339 3.335 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2C)c1 ZINC000182466256 524772343 /nfs/dbraw/zinc/77/23/43/524772343.db2.gz VEPQYZREZHKTIR-UGSOOPFHSA-N 1 0 301.386 3.093 20 10 DGCDRO C[C@H]([NH3+])CCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000193306295 524829976 /nfs/dbraw/zinc/82/99/76/524829976.db2.gz JAMKRERVXWQGHB-HNNXBMFYSA-N 1 0 317.477 3.199 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000268755262 525207222 /nfs/dbraw/zinc/20/72/22/525207222.db2.gz LJWAEULXUFJHBM-LIRRHRJNSA-N 1 0 314.429 3.145 20 10 DGCDRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1O ZINC000183427866 525295156 /nfs/dbraw/zinc/29/51/56/525295156.db2.gz FGGOPNFHKAEDTG-HNNXBMFYSA-N 1 0 311.429 3.102 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000127151545 525340355 /nfs/dbraw/zinc/34/03/55/525340355.db2.gz KPWSEKDBMXQMCP-HNNXBMFYSA-N 1 0 322.412 3.474 20 10 DGCDRO C[C@@H]([NH2+]CCOCC(F)F)c1cc(Br)ccc1O ZINC000188746643 525450815 /nfs/dbraw/zinc/45/08/15/525450815.db2.gz DYJKZQQIYIINJH-MRVPVSSYSA-N 1 0 324.165 3.087 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000268864335 525472916 /nfs/dbraw/zinc/47/29/16/525472916.db2.gz SZEMEHCQXDLYGB-IUODEOHRSA-N 1 0 316.367 3.251 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000159649422 525559667 /nfs/dbraw/zinc/55/96/67/525559667.db2.gz JOPITBZAADKEMX-DZGCQCFKSA-N 1 0 324.465 3.209 20 10 DGCDRO CSCc1cccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000189477804 525738042 /nfs/dbraw/zinc/73/80/42/525738042.db2.gz IJJDGPPNDDFWGS-UHFFFAOYSA-N 1 0 317.410 3.274 20 10 DGCDRO CC(=O)NCCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000178515163 526746963 /nfs/dbraw/zinc/74/69/63/526746963.db2.gz UMGQNVWSJDWUBF-MRXNPFEDSA-N 1 0 317.477 3.244 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000185397868 528688557 /nfs/dbraw/zinc/68/85/57/528688557.db2.gz UATWEBGPJXVBSN-ZDUSSCGKSA-N 1 0 316.401 3.435 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000178715054 529154914 /nfs/dbraw/zinc/15/49/14/529154914.db2.gz QHYZOBWHJOTJSM-LSDHHAIUSA-N 1 0 305.466 3.098 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1ccc(N(C)C)cc1 ZINC000370670816 529203613 /nfs/dbraw/zinc/20/36/13/529203613.db2.gz HRHMBYIJZCFJKX-IEBWSBKVSA-N 1 0 324.472 3.449 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1 ZINC000288480236 535751567 /nfs/dbraw/zinc/75/15/67/535751567.db2.gz GKJWJBQAHMQURH-FZKQIMNGSA-N 1 0 301.386 3.003 20 10 DGCDRO CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000287355512 535803172 /nfs/dbraw/zinc/80/31/72/535803172.db2.gz GYURUVMMVAZGFK-QGZVFWFLSA-N 1 0 306.425 3.446 20 10 DGCDRO CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1[O-] ZINC000286342025 535895235 /nfs/dbraw/zinc/89/52/35/535895235.db2.gz YIYFAZODUJSCAP-KRWDZBQOSA-N 1 0 306.425 3.446 20 10 DGCDRO CC[C@H]([NH2+]CCOc1ncccc1F)c1ccc(C)cc1O ZINC000280146924 535903741 /nfs/dbraw/zinc/90/37/41/535903741.db2.gz PYIQLDLKHHGWND-HNNXBMFYSA-N 1 0 304.365 3.354 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccccc1O ZINC000274984507 535935330 /nfs/dbraw/zinc/93/53/30/535935330.db2.gz ZSLBBEXZTHPNQX-FMKPAKJESA-N 1 0 304.434 3.080 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc2ccccc2c1O ZINC000186115268 546192838 /nfs/dbraw/zinc/19/28/38/546192838.db2.gz YDKUPSAGMHRQQP-WFASDCNBSA-N 1 0 307.397 3.477 20 10 DGCDRO C[C@@H]1Cc2ccccc2N(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000391411133 546758118 /nfs/dbraw/zinc/75/81/18/546758118.db2.gz OXSGIJWEAYNWBC-CQSZACIVSA-N 1 0 306.409 3.171 20 10 DGCDRO CC(C)[C@H](C)NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848080 574560303 /nfs/dbraw/zinc/56/03/03/574560303.db2.gz QTSWZTRWMVFWDG-HNNXBMFYSA-N 1 0 318.461 3.298 20 10 DGCDRO NC(=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000731846137 574560308 /nfs/dbraw/zinc/56/03/08/574560308.db2.gz UICOJSGJGPJYGB-UHFFFAOYSA-N 1 0 324.424 3.436 20 10 DGCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)N1CCCCC1 ZINC000731847136 574560371 /nfs/dbraw/zinc/56/03/71/574560371.db2.gz DMIFBYNEYNIHIX-UHFFFAOYSA-N 1 0 316.445 3.149 20 10 DGCDRO CN(Cc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410941 574574067 /nfs/dbraw/zinc/57/40/67/574574067.db2.gz OIWWEWJCKFUNJE-UHFFFAOYSA-N 1 0 302.393 3.403 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(Cc3ccsc3)CC2)c1 ZINC000732556662 574575992 /nfs/dbraw/zinc/57/59/92/574575992.db2.gz VFTQEMFIZPRPQA-UHFFFAOYSA-N 1 0 316.470 3.388 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)[C@@H](C)CC)ccc1OC ZINC000732820986 574583540 /nfs/dbraw/zinc/58/35/40/574583540.db2.gz RLTNMCKCTWINHT-KBXCAEBGSA-N 1 0 309.450 3.118 20 10 DGCDRO C[C@H]1CCC[C@](C[NH2+]Cc2ccc(N(C)C)c(F)c2)(N(C)C)C1 ZINC000733325817 574615806 /nfs/dbraw/zinc/61/58/06/574615806.db2.gz YOMMPPHEWJDVPK-KXBFYZLASA-N 1 0 321.484 3.492 20 10 DGCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000733332365 574617102 /nfs/dbraw/zinc/61/71/02/574617102.db2.gz UTNWWQZYAKIEMK-MRXNPFEDSA-N 1 0 311.381 3.244 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000734003521 574646319 /nfs/dbraw/zinc/64/63/19/574646319.db2.gz LXYWYYYONHIECX-UHFFFAOYSA-N 1 0 303.789 3.313 20 10 DGCDRO COC1CCC([N@H+](C)Cc2c(O)ccc3ccncc32)CC1 ZINC000734474818 574663923 /nfs/dbraw/zinc/66/39/23/574663923.db2.gz FUMVGIUOXRAKES-UHFFFAOYSA-N 1 0 300.402 3.330 20 10 DGCDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000734477170 574664009 /nfs/dbraw/zinc/66/40/09/574664009.db2.gz LWCCUDCUOUJOFF-ZFWWWQNUSA-N 1 0 311.381 3.499 20 10 DGCDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000734477167 574664077 /nfs/dbraw/zinc/66/40/77/574664077.db2.gz LWCCUDCUOUJOFF-DZGCQCFKSA-N 1 0 311.381 3.499 20 10 DGCDRO CCCCCC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000734558383 574667208 /nfs/dbraw/zinc/66/72/08/574667208.db2.gz RXDZTOZFOFDMDK-UHFFFAOYSA-N 1 0 319.493 3.189 20 10 DGCDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000738285878 574864506 /nfs/dbraw/zinc/86/45/06/574864506.db2.gz QDXSTYFTHXWTFJ-INIZCTEOSA-N 1 0 320.477 3.167 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@](C)(CO)C2CCCCC2)c(O)c1 ZINC000740014068 574918388 /nfs/dbraw/zinc/91/83/88/574918388.db2.gz LXQIQIDZXMEONY-SFHVURJKSA-N 1 0 307.434 3.212 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c(O)c1 ZINC000742376743 574994042 /nfs/dbraw/zinc/99/40/42/574994042.db2.gz FJLRSSBCZRIORU-USXIJHARSA-N 1 0 305.418 3.084 20 10 DGCDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000742722977 575014968 /nfs/dbraw/zinc/01/49/68/575014968.db2.gz DJOBWZNWAMSTOM-MRXNPFEDSA-N 1 0 310.445 3.188 20 10 DGCDRO CC[N@H+](CCSC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000743272269 575041680 /nfs/dbraw/zinc/04/16/80/575041680.db2.gz SPEZOOHDVYXANC-UHFFFAOYSA-N 1 0 322.518 3.487 20 10 DGCDRO CCOC(=O)CC[N@@H+](Cc1cc(C)c(C)cc1O)CC1CC1 ZINC000743356490 575045786 /nfs/dbraw/zinc/04/57/86/575045786.db2.gz BSYQNTRUVBHONQ-UHFFFAOYSA-N 1 0 305.418 3.174 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000746134255 575435149 /nfs/dbraw/zinc/43/51/49/575435149.db2.gz OWRPMJCLPAIYFO-HOTGVXAUSA-N 1 0 317.477 3.022 20 10 DGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000746753664 575473592 /nfs/dbraw/zinc/47/35/92/575473592.db2.gz GNMLPFGBCRXGOH-QWHCGFSZSA-N 1 0 314.223 3.202 20 10 DGCDRO CCc1cc(C[NH+](CCOC)CCOC)c(O)c(C(C)(C)C)c1 ZINC000747449192 575517942 /nfs/dbraw/zinc/51/79/42/575517942.db2.gz KPLKTRKCVBFEJG-UHFFFAOYSA-N 1 0 323.477 3.347 20 10 DGCDRO COCC[N@H+](Cc1c(O)ccc2ccncc21)C1CCCC1 ZINC000747790989 575542129 /nfs/dbraw/zinc/54/21/29/575542129.db2.gz GILOPGXBBUVCKB-UHFFFAOYSA-N 1 0 300.402 3.331 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)CCOc2ccccc2F)c1O ZINC000748050734 575559109 /nfs/dbraw/zinc/55/91/09/575559109.db2.gz ATERNVKUFZBXAA-UHFFFAOYSA-N 1 0 319.376 3.359 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000748246289 575574821 /nfs/dbraw/zinc/57/48/21/575574821.db2.gz LRQNPRUHJILZER-KRWDZBQOSA-N 1 0 300.450 3.363 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c(O)c1 ZINC000749114607 575627754 /nfs/dbraw/zinc/62/77/54/575627754.db2.gz FTKZPNAQOYUZHN-XIKOKIGWSA-N 1 0 319.376 3.142 20 10 DGCDRO CN(CC[NH2+]Cc1c(O)cccc1Cl)Cc1ccc(F)cc1 ZINC000749116058 575628325 /nfs/dbraw/zinc/62/83/25/575628325.db2.gz IFFJPYIIAHBTKP-UHFFFAOYSA-N 1 0 322.811 3.406 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000749125820 575628995 /nfs/dbraw/zinc/62/89/95/575628995.db2.gz HQBQVGBRTMAJFM-MJBXVCDLSA-N 1 0 306.425 3.327 20 10 DGCDRO Oc1cc2c(cc1CN1CCC([NH+]3CCCCC3)CC1)CCC2 ZINC000749663548 575671211 /nfs/dbraw/zinc/67/12/11/575671211.db2.gz WXDFNDUBOMWTSP-UHFFFAOYSA-N 1 0 314.473 3.331 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc([S@](C)=O)cc2)cc1C ZINC000751991558 575816911 /nfs/dbraw/zinc/81/69/11/575816911.db2.gz WAQDBWXFHFXGHP-NRFANRHFSA-N 1 0 303.427 3.031 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1 ZINC000752127013 575824420 /nfs/dbraw/zinc/82/44/20/575824420.db2.gz XJIHNSLDCHUTTQ-NRFANRHFSA-N 1 0 324.468 3.456 20 10 DGCDRO C[C@H](Cn1ccnc1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725847038 575929018 /nfs/dbraw/zinc/92/90/18/575929018.db2.gz BGLXTMRFFXWTJA-OAHLLOKOSA-N 1 0 307.397 3.434 20 10 DGCDRO CCN(CC)C(=O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725848389 575929699 /nfs/dbraw/zinc/92/96/99/575929699.db2.gz QTTVHZGXMGVUHT-UHFFFAOYSA-N 1 0 312.413 3.017 20 10 DGCDRO COC[C@@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000739868797 576037857 /nfs/dbraw/zinc/03/78/57/576037857.db2.gz FMHUFPFTOSLMKM-CYBMUJFWSA-N 1 0 301.386 3.022 20 10 DGCDRO CC(=O)N1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000727644826 576135383 /nfs/dbraw/zinc/13/53/83/576135383.db2.gz SYQWWLDRKWZZNC-UHFFFAOYSA-N 1 0 324.424 3.160 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1[O-] ZINC000852760006 620646643 /nfs/dbraw/zinc/64/66/43/620646643.db2.gz TUFDAKUOFYUBJN-SJKOYZFVSA-N 1 0 322.424 3.073 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccoc2)ccc1N1CCCCC1 ZINC000916845672 620647326 /nfs/dbraw/zinc/64/73/26/620647326.db2.gz BOQMJAJWUMQSFI-UHFFFAOYSA-N 1 0 315.373 3.468 20 10 DGCDRO CCCCCNC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075358 620654951 /nfs/dbraw/zinc/65/49/51/620654951.db2.gz UBYXANBYAXKNKU-UHFFFAOYSA-N 1 0 319.493 3.269 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1CCSC1=S ZINC000917411057 620668549 /nfs/dbraw/zinc/66/85/49/620668549.db2.gz IGRZXNPESJMOSK-UHFFFAOYSA-N 1 0 323.531 3.254 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(c3ccco3)CC2)cc1OC ZINC000853527118 620706502 /nfs/dbraw/zinc/70/65/02/620706502.db2.gz LKTUPPXHLZEYKZ-UHFFFAOYSA-N 1 0 317.385 3.382 20 10 DGCDRO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000853576681 620711479 /nfs/dbraw/zinc/71/14/79/620711479.db2.gz DVNAFTPVVFQWFV-AWEZNQCLSA-N 1 0 312.413 3.474 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccns3)C2)cc1 ZINC000926679413 618085149 /nfs/dbraw/zinc/08/51/49/618085149.db2.gz DYKGPTOPASQCAB-OLZOCXBDSA-N 1 0 303.431 3.081 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccns3)C2)cc1 ZINC000926679412 618085529 /nfs/dbraw/zinc/08/55/29/618085529.db2.gz DYKGPTOPASQCAB-CHWSQXEVSA-N 1 0 303.431 3.081 20 10 DGCDRO CCCCCC[N@H+](C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000111608341 620741003 /nfs/dbraw/zinc/74/10/03/620741003.db2.gz GRJCTEGBRYNFEJ-CQSZACIVSA-N 1 0 322.449 3.090 20 10 DGCDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000806132962 617669092 /nfs/dbraw/zinc/66/90/92/617669092.db2.gz DNEYRTOWOXCZOP-IEBWSBKVSA-N 1 0 302.462 3.174 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2F)CC1 ZINC000806133286 617670758 /nfs/dbraw/zinc/67/07/58/617670758.db2.gz KUABYQHDDRENSP-FUHWJXTLSA-N 1 0 318.436 3.065 20 10 DGCDRO CN(C)c1ccc([C@@H](CNC(=O)CCC2CCC2)[NH+](C)C)cc1 ZINC000891254504 617761079 /nfs/dbraw/zinc/76/10/79/617761079.db2.gz YLYYAFFCTQAOMB-GOSISDBHSA-N 1 0 317.477 3.052 20 10 DGCDRO COc1ccccc1C[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891471495 617809620 /nfs/dbraw/zinc/80/96/20/617809620.db2.gz VDKNGURJNSLIRX-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO CCn1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c(C)n1 ZINC000891596119 617846560 /nfs/dbraw/zinc/84/65/60/617846560.db2.gz LSIMXARZGNENFM-UHFFFAOYSA-N 1 0 312.461 3.442 20 10 DGCDRO COc1ccc(C[N@H+](Cc2ccccn2)C(C)C)c(O)c1OC ZINC000891743465 617887305 /nfs/dbraw/zinc/88/73/05/617887305.db2.gz DONQNERLXJPXJR-UHFFFAOYSA-N 1 0 316.401 3.215 20 10 DGCDRO COc1ccc(CN2CC[C@@H]2c2cccc(F)c2)c(O)c1OC ZINC000892133336 617971510 /nfs/dbraw/zinc/97/15/10/617971510.db2.gz NXFBONUMDHYJAL-OAHLLOKOSA-N 1 0 317.360 3.496 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnnn1-c1ccccc1 ZINC000924575174 618104978 /nfs/dbraw/zinc/10/49/78/618104978.db2.gz RZUVXARGKJGMOA-OAHLLOKOSA-N 1 0 321.428 3.184 20 10 DGCDRO COc1ccc(C[NH2+]CCO[C@H]2CCCC[C@H]2C)c(O)c1OC ZINC000892580035 618112193 /nfs/dbraw/zinc/11/21/93/618112193.db2.gz YVVYQTFNSWATRS-HIFRSBDPSA-N 1 0 323.433 3.094 20 10 DGCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000840889846 618144340 /nfs/dbraw/zinc/14/43/40/618144340.db2.gz IUXAXALYSRXJPA-HOTGVXAUSA-N 1 0 317.477 3.241 20 10 DGCDRO CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000854230433 620786529 /nfs/dbraw/zinc/78/65/29/620786529.db2.gz PLUPLZUTYRUMIM-ZWNOBZJWSA-N 1 0 304.356 3.435 20 10 DGCDRO COc1ccc(CN[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000920182835 620788880 /nfs/dbraw/zinc/78/88/80/620788880.db2.gz ZOCPVMZPGRCLAU-BFYDXBDKSA-N 1 0 304.478 3.460 20 10 DGCDRO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000920258067 620793082 /nfs/dbraw/zinc/79/30/82/620793082.db2.gz GLCBVKLWUHFVEL-NJAFHUGGSA-N 1 0 316.445 3.059 20 10 DGCDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000892794341 618313374 /nfs/dbraw/zinc/31/33/74/618313374.db2.gz RWZVMTIEILYNEG-UHFFFAOYSA-N 1 0 318.760 3.473 20 10 DGCDRO COCC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccco1 ZINC000894430417 618325822 /nfs/dbraw/zinc/32/58/22/618325822.db2.gz FCUCWVITGWSEND-AWEZNQCLSA-N 1 0 305.374 3.170 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)c2nc(C)cs2)c1O ZINC000894455794 618339646 /nfs/dbraw/zinc/33/96/46/618339646.db2.gz JGYKYEPCWNGUDZ-NSHDSACASA-N 1 0 306.431 3.367 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCC2CCC(OC)CC2)c1O ZINC000894459494 618340453 /nfs/dbraw/zinc/34/04/53/618340453.db2.gz QEDFZWSEPOHZDT-UHFFFAOYSA-N 1 0 307.434 3.394 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)cn2)cc1F ZINC000892947458 618362875 /nfs/dbraw/zinc/36/28/75/618362875.db2.gz DCMWSCOHKIBBLX-UHFFFAOYSA-N 1 0 317.408 3.365 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)c(O)c1OC ZINC000892949700 618365525 /nfs/dbraw/zinc/36/55/25/618365525.db2.gz CANFCBCAKYTBBK-CHWSQXEVSA-N 1 0 311.447 3.173 20 10 DGCDRO COc1ccc(C[NH+]2CCC(C)(C3CC3)CC2)c(O)c1OC ZINC000894546980 618382370 /nfs/dbraw/zinc/38/23/70/618382370.db2.gz OAWYDARTNDRTGV-UHFFFAOYSA-N 1 0 305.418 3.422 20 10 DGCDRO C[C@@]1(Br)C[C@@H]1C[NH2+]CCCSc1nccs1 ZINC000893044590 618402442 /nfs/dbraw/zinc/40/24/42/618402442.db2.gz IEZQHUITSUDWBT-MWLCHTKSSA-N 1 0 321.309 3.388 20 10 DGCDRO COc1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(O)c1OC ZINC000894735450 618440086 /nfs/dbraw/zinc/44/00/86/618440086.db2.gz JMRXNFYJRLVVDH-HOCLYGCPSA-N 1 0 303.402 3.030 20 10 DGCDRO COc1ccc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(O)c1OC ZINC000894735448 618440219 /nfs/dbraw/zinc/44/02/19/618440219.db2.gz JMRXNFYJRLVVDH-GDBMZVCRSA-N 1 0 303.402 3.030 20 10 DGCDRO COc1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c(O)c1OC ZINC000894735449 618440491 /nfs/dbraw/zinc/44/04/91/618440491.db2.gz JMRXNFYJRLVVDH-GOEBONIOSA-N 1 0 303.402 3.030 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894780990 618455644 /nfs/dbraw/zinc/45/56/44/618455644.db2.gz BUEVVBPUUIICQI-GFCCVEGCSA-N 1 0 317.385 3.274 20 10 DGCDRO COc1ccc(C[NH2+]CCCSCC(C)C)c(O)c1OC ZINC000893245205 618485745 /nfs/dbraw/zinc/48/57/45/618485745.db2.gz JAIQNRBELRWJRZ-UHFFFAOYSA-N 1 0 313.463 3.278 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c(O)c1OC ZINC000894890645 618489037 /nfs/dbraw/zinc/48/90/37/618489037.db2.gz WQKPYCOSUMMPFY-ZFWWWQNUSA-N 1 0 305.418 3.325 20 10 DGCDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893291570 618498879 /nfs/dbraw/zinc/49/88/79/618498879.db2.gz NNVVYHPJQLDYNK-LBPRGKRZSA-N 1 0 316.401 3.218 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000894941024 618502154 /nfs/dbraw/zinc/50/21/54/618502154.db2.gz XTPQEJJFHWVEHR-LSJNQWAISA-N 1 0 304.478 3.275 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000894941023 618502260 /nfs/dbraw/zinc/50/22/60/618502260.db2.gz XTPQEJJFHWVEHR-DMKPSLHHSA-N 1 0 304.478 3.275 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c(O)c1OC ZINC000894972831 618504369 /nfs/dbraw/zinc/50/43/69/618504369.db2.gz GGVMUXJVKCHGFN-CQSZACIVSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c(O)c1OC ZINC000893320646 618512464 /nfs/dbraw/zinc/51/24/64/618512464.db2.gz SDENPDXBEBWFDC-GJZGRUSLSA-N 1 0 323.433 3.093 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CC23CCSCC3)c1O ZINC000895029345 618516665 /nfs/dbraw/zinc/51/66/65/618516665.db2.gz DRQVSINGFDUIIV-AWEZNQCLSA-N 1 0 307.459 3.332 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCOc2ncccc2F)c(Cl)c1 ZINC000840906934 618521418 /nfs/dbraw/zinc/52/14/18/618521418.db2.gz KJBFLZDRMIXZJE-UHFFFAOYSA-N 1 0 310.756 3.057 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)c(O)c1OC ZINC000893354974 618528318 /nfs/dbraw/zinc/52/83/18/618528318.db2.gz AEYQQOQOQKWQIL-CABCVRRESA-N 1 0 305.418 3.468 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c1O ZINC000895088462 618534297 /nfs/dbraw/zinc/53/42/97/618534297.db2.gz ZIGCFOBMXKTPBU-SFHVURJKSA-N 1 0 319.445 3.152 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c1O ZINC000895189197 618570095 /nfs/dbraw/zinc/57/00/95/618570095.db2.gz BNORRHZYDUFJOX-HNNXBMFYSA-N 1 0 305.418 3.291 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccc(C)c2OC)c(O)c1OC ZINC000895209685 618574964 /nfs/dbraw/zinc/57/49/64/618574964.db2.gz YKYZFMSXEWPIOA-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COC1(C(F)(F)F)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000841888366 618603910 /nfs/dbraw/zinc/60/39/10/618603910.db2.gz IALDUNYRUWIJBY-UHFFFAOYSA-N 1 0 307.287 3.075 20 10 DGCDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)C1=CC(=O)CS1 ZINC000854578774 620819846 /nfs/dbraw/zinc/81/98/46/620819846.db2.gz SZYHCSNIVKXPDY-UHFFFAOYSA-N 1 0 305.403 3.123 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)c2cccnc2)c1 ZINC000840975258 618651816 /nfs/dbraw/zinc/65/18/16/618651816.db2.gz MQKHCUKKPCBVOP-UHFFFAOYSA-N 1 0 300.402 3.253 20 10 DGCDRO COc1cc(C)cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1O ZINC000893995881 618689046 /nfs/dbraw/zinc/68/90/46/618689046.db2.gz VEKOJWFVVYKLCD-OAHLLOKOSA-N 1 0 315.413 3.092 20 10 DGCDRO CCCN(Cc1cn2ccnc2s1)c1ccc(C[NH3+])cc1 ZINC000894046535 618699102 /nfs/dbraw/zinc/69/91/02/618699102.db2.gz NTPRSZFZQKZPGN-UHFFFAOYSA-N 1 0 300.431 3.271 20 10 DGCDRO COc1ccnc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000924869212 618712093 /nfs/dbraw/zinc/71/20/93/618712093.db2.gz GCOKMECZTGQJMV-AWEZNQCLSA-N 1 0 311.429 3.323 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000894192387 618726362 /nfs/dbraw/zinc/72/63/62/618726362.db2.gz BJWNVCYSUYXSSX-GFCCVEGCSA-N 1 0 316.357 3.468 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c(OC)c1 ZINC000894194759 618726804 /nfs/dbraw/zinc/72/68/04/618726804.db2.gz DPVMYYABMFEPRY-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCOc2cccc(F)c2)c1O ZINC000894199939 618727519 /nfs/dbraw/zinc/72/75/19/618727519.db2.gz MGQMYVSGPPLXPG-UHFFFAOYSA-N 1 0 305.349 3.017 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)Cc2c(C)noc2C)c1O ZINC000894284633 618751894 /nfs/dbraw/zinc/75/18/94/618751894.db2.gz MXDYQIKYSNYOLL-LLVKDONJSA-N 1 0 304.390 3.035 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](CCCO)c2ccccc2)c1O ZINC000894285991 618752155 /nfs/dbraw/zinc/75/21/55/618752155.db2.gz XEMQPIZIJLNSAI-KRWDZBQOSA-N 1 0 315.413 3.313 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1O ZINC000894333516 618765997 /nfs/dbraw/zinc/76/59/97/618765997.db2.gz XWQQFSLHLYQNET-OAHLLOKOSA-N 1 0 305.418 3.291 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2CSC2)c(C(F)(F)F)c1 ZINC000895422385 618783221 /nfs/dbraw/zinc/78/32/21/618783221.db2.gz ZUZZSMHDPZWZEO-UHFFFAOYSA-N 1 0 304.381 3.224 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCCCO3)CC2)cc1F ZINC000895654073 618812611 /nfs/dbraw/zinc/81/26/11/618812611.db2.gz NXAOBKBHDBEMIO-UHFFFAOYSA-N 1 0 306.425 3.427 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c1O ZINC000895660972 618813658 /nfs/dbraw/zinc/81/36/58/618813658.db2.gz BFDMHMCYMSIIJY-GOSISDBHSA-N 1 0 315.413 3.311 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000895842611 618837818 /nfs/dbraw/zinc/83/78/18/618837818.db2.gz ICZHRNQUDZEYTO-ONFZBDQASA-N 1 0 300.446 3.267 20 10 DGCDRO C[N@H+](CCCF)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000895898552 618847167 /nfs/dbraw/zinc/84/71/67/618847167.db2.gz XEBMRXIPUAZSCR-UHFFFAOYSA-N 1 0 309.385 3.377 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1 ZINC000896223100 618885768 /nfs/dbraw/zinc/88/57/68/618885768.db2.gz MZJUNCTWJLRBBN-QUCCMNQESA-N 1 0 309.409 3.101 20 10 DGCDRO Cn1ccc([C@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000896490275 618917829 /nfs/dbraw/zinc/91/78/29/618917829.db2.gz RIUUBHNIQPFBDD-NSHDSACASA-N 1 0 323.799 3.298 20 10 DGCDRO Cc1cccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1O ZINC000896812380 618963012 /nfs/dbraw/zinc/96/30/12/618963012.db2.gz UMKMCSSQWLNPJP-STQMWFEESA-N 1 0 303.324 3.290 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896810593 618964087 /nfs/dbraw/zinc/96/40/87/618964087.db2.gz WVYJBYRELMMVDV-FZMZJTMJSA-N 1 0 303.324 3.290 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897034678 619004726 /nfs/dbraw/zinc/00/47/26/619004726.db2.gz CHQNCHBUNKJRJY-UHFFFAOYSA-N 1 0 302.462 3.188 20 10 DGCDRO OCC1(C(F)(F)F)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000897037203 619005079 /nfs/dbraw/zinc/00/50/79/619005079.db2.gz IUGVUYRJFDXDRD-UHFFFAOYSA-N 1 0 323.742 3.182 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC[C@H]2CCC(C)(C)CO2)c1O ZINC000897474318 619132772 /nfs/dbraw/zinc/13/27/72/619132772.db2.gz QCLYMDQIHLCMER-OAHLLOKOSA-N 1 0 307.434 3.394 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)ccc1OC ZINC000897511518 619142043 /nfs/dbraw/zinc/14/20/43/619142043.db2.gz MUZNZINGCCAFJT-HKUYNNGSSA-N 1 0 319.445 3.279 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(C3(O)CCC3)CC2)cc1 ZINC000897527419 619148835 /nfs/dbraw/zinc/14/88/35/619148835.db2.gz LVRPWVDPIULTPS-HYXAFXHYSA-N 1 0 300.446 3.051 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615774 619167250 /nfs/dbraw/zinc/16/72/50/619167250.db2.gz FAENBQMGMPTQHS-GFCCVEGCSA-N 1 0 323.318 3.191 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2CCOC23CCCC3)ccc1OC ZINC000898111919 619214636 /nfs/dbraw/zinc/21/46/36/619214636.db2.gz IQBUVFSDXUHZOD-SFHVURJKSA-N 1 0 319.445 3.423 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(CCO)cc2)cc1 ZINC000898169416 619220172 /nfs/dbraw/zinc/22/01/72/619220172.db2.gz BZFHQLVAFIGDJL-ARJAWSKDSA-N 1 0 310.441 3.090 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c(O)c1OC ZINC000898317519 619236882 /nfs/dbraw/zinc/23/68/82/619236882.db2.gz ITEHUPLFQUQBGA-MRXNPFEDSA-N 1 0 314.385 3.045 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3ccccc3O)C2)n1 ZINC000927050913 619260443 /nfs/dbraw/zinc/26/04/43/619260443.db2.gz VSGSEMHXCOOTQY-UPJWGTAASA-N 1 0 301.390 3.325 20 10 DGCDRO Cc1occc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449356 619276122 /nfs/dbraw/zinc/27/61/22/619276122.db2.gz CJAQFTDNBDTWJL-GOSISDBHSA-N 1 0 301.434 3.047 20 10 DGCDRO Cc1ccoc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449657 619276138 /nfs/dbraw/zinc/27/61/38/619276138.db2.gz IPVOFTOKXPFPLU-KRWDZBQOSA-N 1 0 301.434 3.047 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1 ZINC000898449659 619276202 /nfs/dbraw/zinc/27/62/02/619276202.db2.gz IQJNPURZZTXIRE-BEFAXECRSA-N 1 0 312.461 3.101 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000898516054 619283021 /nfs/dbraw/zinc/28/30/21/619283021.db2.gz KRQPILBXSQNBIR-HOTGVXAUSA-N 1 0 319.445 3.430 20 10 DGCDRO O=C(/C=C/c1cccnc1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000902699814 619663270 /nfs/dbraw/zinc/66/32/70/619663270.db2.gz SWMZVIZSZZCIDC-BBVFFXRHSA-N 1 0 319.408 3.106 20 10 DGCDRO O=C(/C=C\c1cccnc1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000902699815 619663315 /nfs/dbraw/zinc/66/33/15/619663315.db2.gz SWMZVIZSZZCIDC-HJCTWCACSA-N 1 0 319.408 3.106 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000902869464 619684527 /nfs/dbraw/zinc/68/45/27/619684527.db2.gz XESSUAHHYGKSFO-NVXWUHKLSA-N 1 0 319.445 3.476 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000128989878 625363460 /nfs/dbraw/zinc/36/34/60/625363460.db2.gz AZKMHGBGBONELI-KXBFYZLASA-N 1 0 323.440 3.209 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000128990105 625364034 /nfs/dbraw/zinc/36/40/34/625364034.db2.gz AZKMHGBGBONELI-BEFAXECRSA-N 1 0 323.440 3.209 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(Cl)cc1O ZINC000903196605 619734414 /nfs/dbraw/zinc/73/44/14/619734414.db2.gz BMQUFZRQFGCAKM-LLVKDONJSA-N 1 0 305.809 3.357 20 10 DGCDRO CC[C@@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccc(C)cc1O ZINC000903220600 619741087 /nfs/dbraw/zinc/74/10/87/619741087.db2.gz PYAMNPKCBAYHPY-OAHLLOKOSA-N 1 0 319.474 3.460 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nc(CN(C)C)cs2)c(O)c1C ZINC000903222725 619741841 /nfs/dbraw/zinc/74/18/41/619741841.db2.gz JDHXBHPRSUIHEL-ZDUSSCGKSA-N 1 0 319.474 3.378 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@]1(c3ccccc3)C[C@@H](O)C1)CC2 ZINC000903269583 619749671 /nfs/dbraw/zinc/74/96/71/619749671.db2.gz BMVSZHAZKUNVIX-MBOZVWFJSA-N 1 0 309.409 3.062 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(F)c2)c1O ZINC000903310295 619757487 /nfs/dbraw/zinc/75/74/87/619757487.db2.gz PQMODSVJHOHDFS-XIKOKIGWSA-N 1 0 319.376 3.098 20 10 DGCDRO C[C@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(F)c1 ZINC000903312298 619758098 /nfs/dbraw/zinc/75/80/98/619758098.db2.gz YQVFQDALIQHCSE-QAPCUYQASA-N 1 0 301.361 3.016 20 10 DGCDRO CO[C@]1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CCSC1 ZINC000903314737 619758375 /nfs/dbraw/zinc/75/83/75/619758375.db2.gz PFCQFSMYCOVKDN-PKWAYOAASA-N 1 0 311.422 3.191 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@H]2C)c1O ZINC000903395295 619767045 /nfs/dbraw/zinc/76/70/45/619767045.db2.gz KUCGXPACSSGDRB-NRUUGDAUSA-N 1 0 314.223 3.149 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903423532 619776379 /nfs/dbraw/zinc/77/63/79/619776379.db2.gz WAKQIVJRRIGZSI-ZFWWWQNUSA-N 1 0 314.351 3.008 20 10 DGCDRO COC(=O)C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1C ZINC000905710359 620019089 /nfs/dbraw/zinc/01/90/89/620019089.db2.gz KAFFDDWUMUKGBL-UKRRQHHQSA-N 1 0 313.397 3.176 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(O)c(C(C)(C)C)c1 ZINC000905695316 620020831 /nfs/dbraw/zinc/02/08/31/620020831.db2.gz NLVRCBNRLMUXHF-AWEZNQCLSA-N 1 0 319.445 3.193 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H](C)CC3)c2c1 ZINC000905740042 620024804 /nfs/dbraw/zinc/02/48/04/620024804.db2.gz PXTAFNOMZOIFLM-CYBMUJFWSA-N 1 0 301.386 3.165 20 10 DGCDRO Cn1nccc1[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000905741180 620024995 /nfs/dbraw/zinc/02/49/95/620024995.db2.gz LWBOOMQQFFFHSC-KRWDZBQOSA-N 1 0 308.385 3.011 20 10 DGCDRO COC(=O)c1cc2ccccc2c(C[NH+]2C3CCC2CC3)c1O ZINC000912788346 620406462 /nfs/dbraw/zinc/40/64/62/620406462.db2.gz BIZUNRKYUMMENU-UHFFFAOYSA-N 1 0 311.381 3.459 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1 ZINC000912925569 620415433 /nfs/dbraw/zinc/41/54/33/620415433.db2.gz MZBFHXWBKWWCSB-LJQANCHMSA-N 1 0 323.440 3.014 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)cc1C ZINC000788074085 620893129 /nfs/dbraw/zinc/89/31/29/620893129.db2.gz CBAHZNRHGBKTSO-INIZCTEOSA-N 1 0 301.434 3.267 20 10 DGCDRO CC(C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccnn1C ZINC000788074815 620893499 /nfs/dbraw/zinc/89/34/99/620893499.db2.gz DTKHLYHRCATNAE-GFCCVEGCSA-N 1 0 307.825 3.309 20 10 DGCDRO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1c(O)cccc1Cl ZINC000113313569 620900295 /nfs/dbraw/zinc/90/02/95/620900295.db2.gz BIRGULOBCVQHOC-UHFFFAOYSA-N 1 0 318.804 3.391 20 10 DGCDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cc(C)ccc1O ZINC000113314333 620900547 /nfs/dbraw/zinc/90/05/47/620900547.db2.gz BUXNQZZVVSDXMK-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cnn(CC3CCC3)c2)cc1F ZINC000921622806 620916845 /nfs/dbraw/zinc/91/68/45/620916845.db2.gz HRWFYLGZQUAPJW-UHFFFAOYSA-N 1 0 316.424 3.178 20 10 DGCDRO c1ccc(NCCCC[NH2+]Cc2ccc3c(c2)CCCO3)nc1 ZINC000921667252 620929982 /nfs/dbraw/zinc/92/99/82/620929982.db2.gz NODYJVQXHBASNJ-UHFFFAOYSA-N 1 0 311.429 3.389 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921748569 620944035 /nfs/dbraw/zinc/94/40/35/620944035.db2.gz XZDJWVVQHINNEU-RYQLBKOJSA-N 1 0 302.462 3.356 20 10 DGCDRO c1cc2c(cc1C[NH2+]CCc1cnc(C3CC3)nc1)CCCO2 ZINC000921934227 620969953 /nfs/dbraw/zinc/96/99/53/620969953.db2.gz QJZFNPOSRYQLCQ-UHFFFAOYSA-N 1 0 309.413 3.011 20 10 DGCDRO c1cc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)ccn1 ZINC000922164746 620999266 /nfs/dbraw/zinc/99/92/66/620999266.db2.gz WWMYTSWHEWBRSQ-UYAOXDASSA-N 1 0 324.424 3.417 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(C3CCC3)c2)c1 ZINC000922215672 621007152 /nfs/dbraw/zinc/00/71/52/621007152.db2.gz DNZDSJARZWTEDB-LBPRGKRZSA-N 1 0 301.390 3.173 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H](C1CC1)C1CCOCC1)CCCO2 ZINC000922218241 621007812 /nfs/dbraw/zinc/00/78/12/621007812.db2.gz YUEQXQDMRCGQKK-LJQANCHMSA-N 1 0 301.430 3.306 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)CCCO2 ZINC000922315061 621022246 /nfs/dbraw/zinc/02/22/46/621022246.db2.gz WAJDETWWZRRMTQ-HKUYNNGSSA-N 1 0 301.430 3.306 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1F ZINC000922458520 621040442 /nfs/dbraw/zinc/04/04/42/621040442.db2.gz QNYMICSREFTABS-FZMZJTMJSA-N 1 0 320.330 3.091 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000922469979 621040841 /nfs/dbraw/zinc/04/08/41/621040841.db2.gz JRNPQGDHTGOMAW-UHFFFAOYSA-N 1 0 304.415 3.026 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1C ZINC000922463515 621041352 /nfs/dbraw/zinc/04/13/52/621041352.db2.gz SWSVMFAWXVMDJY-JSGCOSHPSA-N 1 0 303.324 3.203 20 10 DGCDRO CN(C)c1cc[nH+]c(CNCc2ccc(N3CCCCC3)cc2)c1 ZINC000922480777 621042236 /nfs/dbraw/zinc/04/22/36/621042236.db2.gz LZSMQOLWFRYNBK-UHFFFAOYSA-N 1 0 324.472 3.428 20 10 DGCDRO Cn1cnc2cc(C[NH2+]Cc3ccc4c(c3)CCCO4)ccc21 ZINC000922479801 621044277 /nfs/dbraw/zinc/04/42/77/621044277.db2.gz DHIVAUYHUBVHRN-UHFFFAOYSA-N 1 0 307.397 3.188 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(F)c1 ZINC000922561455 621055795 /nfs/dbraw/zinc/05/57/95/621055795.db2.gz AIYPPQUSDLHVSA-LJQANCHMSA-N 1 0 315.388 3.148 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1C ZINC000922716623 621088852 /nfs/dbraw/zinc/08/88/52/621088852.db2.gz CYVQBTKCLYUDHW-KSZLIROESA-N 1 0 301.430 3.465 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922732893 621092560 /nfs/dbraw/zinc/09/25/60/621092560.db2.gz WNBDPYKQQXJIQN-OIBJUYFYSA-N 1 0 324.140 3.443 20 10 DGCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(C)ccc3O)C2)n1 ZINC000922864346 621111046 /nfs/dbraw/zinc/11/10/46/621111046.db2.gz DCHCTIMJLRSGMF-JSGCOSHPSA-N 1 0 301.390 3.072 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857868854 621125709 /nfs/dbraw/zinc/12/57/09/621125709.db2.gz DXXIYUIJDWXHOL-KDOFPFPSSA-N 1 0 312.461 3.382 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875468 621126457 /nfs/dbraw/zinc/12/64/57/621126457.db2.gz PFZNBESSTNEPCR-UGSOOPFHSA-N 1 0 310.397 3.065 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000922973350 621142056 /nfs/dbraw/zinc/14/20/56/621142056.db2.gz VOSDRKKVMLMQMB-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)cc1F ZINC000922990576 621145124 /nfs/dbraw/zinc/14/51/24/621145124.db2.gz PYODUFKWDFFMSY-MOPGFXCFSA-N 1 0 314.404 3.030 20 10 DGCDRO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000923010644 621145971 /nfs/dbraw/zinc/14/59/71/621145971.db2.gz XDTJCNPIEWKAJT-MAEOIBBWSA-N 1 0 317.816 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2([C@@H]3CCCCO3)CC2)cc1 ZINC000923028394 621149586 /nfs/dbraw/zinc/14/95/86/621149586.db2.gz PUYCTRVRDNYFGR-XFHJGTJQSA-N 1 0 300.446 3.457 20 10 DGCDRO CC(C)COCCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858089746 621151388 /nfs/dbraw/zinc/15/13/88/621151388.db2.gz FYNUMHPCBBQQSY-UHFFFAOYSA-N 1 0 300.393 3.183 20 10 DGCDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858126285 621155953 /nfs/dbraw/zinc/15/59/53/621155953.db2.gz XNUQJSOWFOJEQB-GFCCVEGCSA-N 1 0 320.383 3.457 20 10 DGCDRO Cc1nc(C)c(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000858145988 621157969 /nfs/dbraw/zinc/15/79/69/621157969.db2.gz MBSBZERRSOJZTR-UHFFFAOYSA-N 1 0 311.401 3.394 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccnc(F)c1 ZINC000858179018 621162047 /nfs/dbraw/zinc/16/20/47/621162047.db2.gz DTKDPEQOPMTHLA-CQSZACIVSA-N 1 0 301.409 3.316 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1F ZINC000858185930 621162434 /nfs/dbraw/zinc/16/24/34/621162434.db2.gz KGQFVGNTADDWDV-SJORKVTESA-N 1 0 323.431 3.137 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cc1F ZINC000858186093 621162507 /nfs/dbraw/zinc/16/25/07/621162507.db2.gz QJBITCUVFHWASS-QZTJIDSGSA-N 1 0 324.415 3.468 20 10 DGCDRO CCN(CC)c1ncc(C[NH2+]Cc2cc(C)ccc2O)s1 ZINC000858237100 621167020 /nfs/dbraw/zinc/16/70/20/621167020.db2.gz FVYRQIGLPYFCHY-UHFFFAOYSA-N 1 0 305.447 3.293 20 10 DGCDRO COc1cc(OC)c(C[NH2+]Cc2cc(C)ccc2O)cc1F ZINC000858239776 621167193 /nfs/dbraw/zinc/16/71/93/621167193.db2.gz TUAANRIGWRNYDS-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858239262 621167234 /nfs/dbraw/zinc/16/72/34/621167234.db2.gz KOIFDBSRCHIYOI-UHFFFAOYSA-N 1 0 306.356 3.335 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)cc1C ZINC000858248874 621168322 /nfs/dbraw/zinc/16/83/22/621168322.db2.gz KCUXWOZHLPBQOD-UHFFFAOYSA-N 1 0 312.413 3.276 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)c1 ZINC000858250132 621168360 /nfs/dbraw/zinc/16/83/60/621168360.db2.gz ACFHLLCVBRUHPM-SFHVURJKSA-N 1 0 307.434 3.212 20 10 DGCDRO CN(C)c1cc(F)c(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1F ZINC000858285019 621171521 /nfs/dbraw/zinc/17/15/21/621171521.db2.gz GVQRAKAZSLGERC-HNNXBMFYSA-N 1 0 323.431 3.137 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2C[C@@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC000858331475 621176494 /nfs/dbraw/zinc/17/64/94/621176494.db2.gz YBMIIWTYKIXZMR-XBXGTLAGSA-N 1 0 307.434 3.213 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccccc1O ZINC000858448593 621192337 /nfs/dbraw/zinc/19/23/37/621192337.db2.gz DHKOVOAPOFVJKR-TZMCWYRMSA-N 1 0 313.323 3.433 20 10 DGCDRO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(F)ccc1O ZINC000858452549 621192896 /nfs/dbraw/zinc/19/28/96/621192896.db2.gz LPTDKJSYPCCLEZ-MRVPVSSYSA-N 1 0 317.286 3.134 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)c(O)c1C ZINC000858479543 621196586 /nfs/dbraw/zinc/19/65/86/621196586.db2.gz UUNCDOCMQSHQEC-ZIAGYGMSSA-N 1 0 312.404 3.389 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000858505331 621199371 /nfs/dbraw/zinc/19/93/71/621199371.db2.gz IMBFULPCUQJCQI-YOEHRIQHSA-N 1 0 316.445 3.445 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000858505330 621199429 /nfs/dbraw/zinc/19/94/29/621199429.db2.gz IMBFULPCUQJCQI-WMLDXEAASA-N 1 0 316.445 3.445 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000858505750 621199919 /nfs/dbraw/zinc/19/99/19/621199919.db2.gz PMSJHAISZFEMIX-MFKMUULPSA-N 1 0 309.793 3.348 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccccc1O ZINC000858540009 621203194 /nfs/dbraw/zinc/20/31/94/621203194.db2.gz SKEYSRQASARJSI-AWEZNQCLSA-N 1 0 312.369 3.078 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000858547093 621203628 /nfs/dbraw/zinc/20/36/28/621203628.db2.gz ISCXTLLYBCPSOG-XGINMYPSSA-N 1 0 301.430 3.489 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1C ZINC000103134316 621264491 /nfs/dbraw/zinc/26/44/91/621264491.db2.gz GYDDNNBFUBBWEI-UHFFFAOYSA-N 1 0 315.369 3.070 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@@H]1SC ZINC000838918641 621297902 /nfs/dbraw/zinc/29/79/02/621297902.db2.gz UAMPLBXTFFWAAM-NXHRZFHOSA-N 1 0 320.502 3.068 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CCC1 ZINC000839145512 621332316 /nfs/dbraw/zinc/33/23/16/621332316.db2.gz PSIINPCZPULVAV-QGZVFWFLSA-N 1 0 324.415 3.470 20 10 DGCDRO Cc1ccccc1CC1C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000839132004 621338907 /nfs/dbraw/zinc/33/89/07/621338907.db2.gz UMLVOHAYRLGNKE-UHFFFAOYSA-N 1 0 311.381 3.104 20 10 DGCDRO COc1cc(O)c(C[NH+]2CC(C3CCCCC3)C2)cc1OC ZINC000839136942 621339844 /nfs/dbraw/zinc/33/98/44/621339844.db2.gz UWYQTELROGSUES-UHFFFAOYSA-N 1 0 305.418 3.422 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)CCOCC3)cc1F ZINC000839140963 621340447 /nfs/dbraw/zinc/34/04/47/621340447.db2.gz LBSDXEIJVPUPRZ-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO C[NH+](C)CCOc1ccc(NCc2ccccc2O)cc1F ZINC000839189500 621346332 /nfs/dbraw/zinc/34/63/32/621346332.db2.gz SRRZMKMJVXILRJ-UHFFFAOYSA-N 1 0 304.365 3.084 20 10 DGCDRO CC(C)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000839513442 621380464 /nfs/dbraw/zinc/38/04/64/621380464.db2.gz YXEZHYZGRWTQAU-UHFFFAOYSA-N 1 0 317.477 3.022 20 10 DGCDRO COC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753571117 621449584 /nfs/dbraw/zinc/44/95/84/621449584.db2.gz NEGFQIBVHZEZBL-CQSZACIVSA-N 1 0 301.386 3.096 20 10 DGCDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753571778 621450109 /nfs/dbraw/zinc/45/01/09/621450109.db2.gz XNDNPWROZYQONY-CABCVRRESA-N 1 0 315.413 3.220 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](O)CCc2ccccc2)c1O ZINC000753594398 621452818 /nfs/dbraw/zinc/45/28/18/621452818.db2.gz LRSAEGNLBDJFEG-QGZVFWFLSA-N 1 0 319.832 3.437 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000753762619 621463579 /nfs/dbraw/zinc/46/35/79/621463579.db2.gz JNNDYRCMXINBJT-JXFKEZNVSA-N 1 0 312.457 3.397 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000862253102 621568233 /nfs/dbraw/zinc/56/82/33/621568233.db2.gz IQZWHLUSIDGSKW-ZIAGYGMSSA-N 1 0 324.415 3.279 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1F ZINC000862300425 621573019 /nfs/dbraw/zinc/57/30/19/621573019.db2.gz PBQUXVJSQSOTEH-PXAZEXFGSA-N 1 0 312.404 3.014 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1F ZINC000862300426 621573074 /nfs/dbraw/zinc/57/30/74/621573074.db2.gz PBQUXVJSQSOTEH-SJCJKPOMSA-N 1 0 312.404 3.014 20 10 DGCDRO CN(C)c1cc(F)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1F ZINC000862316477 621573653 /nfs/dbraw/zinc/57/36/53/621573653.db2.gz CJXXTRMWFQUBHV-CQSZACIVSA-N 1 0 324.415 3.279 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1F ZINC000862353808 621576915 /nfs/dbraw/zinc/57/69/15/621576915.db2.gz AREALQKRLGIMKS-CYBMUJFWSA-N 1 0 317.383 3.415 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC=C(C(=O)OC)C2)cc1F ZINC000862465861 621592296 /nfs/dbraw/zinc/59/22/96/621592296.db2.gz MALLFISHUZLXKF-OAHLLOKOSA-N 1 0 320.408 3.023 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1Cl ZINC000862527966 621596829 /nfs/dbraw/zinc/59/68/29/621596829.db2.gz KVQXITMVAINQNG-UHFFFAOYSA-N 1 0 324.852 3.092 20 10 DGCDRO COc1cc(O)c(C[NH+]2CC(Cc3cccs3)C2)cc1OC ZINC000862538179 621598366 /nfs/dbraw/zinc/59/83/66/621598366.db2.gz NQXZEZMADDOEFB-UHFFFAOYSA-N 1 0 319.426 3.145 20 10 DGCDRO COc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)ccn1 ZINC000756402761 621635548 /nfs/dbraw/zinc/63/55/48/621635548.db2.gz YKGBQBNQSJKSHG-GWCFXTLKSA-N 1 0 302.349 3.273 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756415884 621636828 /nfs/dbraw/zinc/63/68/28/621636828.db2.gz LTNUOLDRJOCPGU-OCCSQVGLSA-N 1 0 322.424 3.318 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCN2CCC(C)CC2)c2c1c(F)ccc2O ZINC000756412950 621636878 /nfs/dbraw/zinc/63/68/78/621636878.db2.gz WMNGUPHMIWKGCM-UKRRQHHQSA-N 1 0 306.425 3.401 20 10 DGCDRO Cc1nccn1CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756434016 621638205 /nfs/dbraw/zinc/63/82/05/621638205.db2.gz SWALXXVXFWHSDJ-SMDDNHRTSA-N 1 0 303.381 3.264 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000756434406 621638299 /nfs/dbraw/zinc/63/82/99/621638299.db2.gz XALYFNUYNVKVDJ-FZKQIMNGSA-N 1 0 302.462 3.262 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)cc(C)nc2OC)c1 ZINC000756536192 621645884 /nfs/dbraw/zinc/64/58/84/621645884.db2.gz RFUSVSXEOTXFOI-CYBMUJFWSA-N 1 0 316.401 3.272 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756545725 621646546 /nfs/dbraw/zinc/64/65/46/621646546.db2.gz OWFDCATVSIKMCA-CHWSQXEVSA-N 1 0 312.404 3.441 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756545728 621646563 /nfs/dbraw/zinc/64/65/63/621646563.db2.gz OWFDCATVSIKMCA-OLZOCXBDSA-N 1 0 312.404 3.441 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(Br)cc1O ZINC000756573353 621650384 /nfs/dbraw/zinc/65/03/84/621650384.db2.gz JDKPPZKUIRXWIP-HZMBPMFUSA-N 1 0 314.223 3.232 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(N(C)C)Cc3ccccc3C2)c1 ZINC000756598266 621651656 /nfs/dbraw/zinc/65/16/56/621651656.db2.gz QXCREJCKRQBMEF-INIZCTEOSA-N 1 0 324.468 3.450 20 10 DGCDRO C[C@@H]([NH2+]CCNc1ccccn1)c1cc2c(cc1O)CCCC2 ZINC000756613153 621652712 /nfs/dbraw/zinc/65/27/12/621652712.db2.gz ZZDLDLNIDNCEEN-CQSZACIVSA-N 1 0 311.429 3.429 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000756607148 621652876 /nfs/dbraw/zinc/65/28/76/621652876.db2.gz ZJDNFGTUBQUOTL-VNHYZAJKSA-N 1 0 323.408 3.112 20 10 DGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)C(C)C ZINC000756628075 621653565 /nfs/dbraw/zinc/65/35/65/621653565.db2.gz VEFIAZPXFHGOCJ-IINYFYTJSA-N 1 0 316.239 3.476 20 10 DGCDRO C[C@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2)c2c1c(F)ccc2O ZINC000756653818 621656165 /nfs/dbraw/zinc/65/61/65/621656165.db2.gz HDTJTWQPBFDWFW-CQDKDKBSSA-N 1 0 301.361 3.403 20 10 DGCDRO CC[C@H](O)CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756738795 621661755 /nfs/dbraw/zinc/66/17/55/621661755.db2.gz LFZQOLLFSOBVSF-PWSUYJOCSA-N 1 0 316.239 3.356 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2sccc2C)c1 ZINC000756736006 621661933 /nfs/dbraw/zinc/66/19/33/621661933.db2.gz KKTQOCIMUKFRPD-BXUZGUMPSA-N 1 0 307.415 3.155 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000756741847 621661940 /nfs/dbraw/zinc/66/19/40/621661940.db2.gz XQDLROJHZYSICU-PSLIRLAXSA-N 1 0 311.303 3.194 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c(O)c1C ZINC000756764427 621662945 /nfs/dbraw/zinc/66/29/45/621662945.db2.gz IYWOCEYUKBNVRD-HOTGVXAUSA-N 1 0 319.445 3.388 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c(O)c1 ZINC000756762900 621662972 /nfs/dbraw/zinc/66/29/72/621662972.db2.gz SUGFQHGOPRNYFL-PBHICJAKSA-N 1 0 316.445 3.285 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000119435128 621668249 /nfs/dbraw/zinc/66/82/49/621668249.db2.gz UCIAODUGTNJMJZ-HUUCEWRRSA-N 1 0 318.461 3.210 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000756912877 621672363 /nfs/dbraw/zinc/67/23/63/621672363.db2.gz IIFJTNFWGZKQAE-UHFFFAOYSA-N 1 0 312.369 3.476 20 10 DGCDRO COc1cc(C)cc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1O ZINC000756910234 621672435 /nfs/dbraw/zinc/67/24/35/621672435.db2.gz DACVFFJPLURMSQ-UHFFFAOYSA-N 1 0 301.308 3.404 20 10 DGCDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000756995916 621678029 /nfs/dbraw/zinc/67/80/29/621678029.db2.gz MLLAQXXTUBRISZ-MRXNPFEDSA-N 1 0 302.805 3.322 20 10 DGCDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000863545923 621682417 /nfs/dbraw/zinc/68/24/17/621682417.db2.gz BHNYBUOUPSIONK-JKIFEVAISA-N 1 0 305.441 3.217 20 10 DGCDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000863543648 621682537 /nfs/dbraw/zinc/68/25/37/621682537.db2.gz UGWMNGGRNZCEER-AYOQOUSVSA-N 1 0 301.478 3.468 20 10 DGCDRO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc2c(cc1O)CCCC2 ZINC000757698278 621734043 /nfs/dbraw/zinc/73/40/43/621734043.db2.gz OONNBBUKGYFCBV-GFCCVEGCSA-N 1 0 305.418 3.073 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c1 ZINC000758497692 621785120 /nfs/dbraw/zinc/78/51/20/621785120.db2.gz GTHAZQMXUXIAEG-KRWDZBQOSA-N 1 0 307.434 3.476 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CC23CCCC3)ccc1N1CCOCC1 ZINC000758525755 621786532 /nfs/dbraw/zinc/78/65/32/621786532.db2.gz PPLQHYGXOVXCSL-KRWDZBQOSA-N 1 0 304.409 3.085 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC3(CCOCC3)CC2)c1O ZINC000789529852 625517003 /nfs/dbraw/zinc/51/70/03/625517003.db2.gz LEUWCLGWTHNACO-UHFFFAOYSA-N 1 0 305.418 3.102 20 10 DGCDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000759157656 621830269 /nfs/dbraw/zinc/83/02/69/621830269.db2.gz GEDGRDNFGYZBCY-GOSISDBHSA-N 1 0 311.429 3.260 20 10 DGCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1c(O)cccc1OC ZINC000789584022 625530107 /nfs/dbraw/zinc/53/01/07/625530107.db2.gz BJBSZTKWOCCTJW-INIZCTEOSA-N 1 0 315.413 3.090 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865603826 621960036 /nfs/dbraw/zinc/96/00/36/621960036.db2.gz NAPCSSLUYDDHPS-OAHLLOKOSA-N 1 0 312.461 3.313 20 10 DGCDRO C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cc(F)cc(F)c1[O-] ZINC000760896552 621972370 /nfs/dbraw/zinc/97/23/70/621972370.db2.gz GSBWYFXPFWCQIF-GFCCVEGCSA-N 1 0 312.404 3.443 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000865725583 621983956 /nfs/dbraw/zinc/98/39/56/621983956.db2.gz MHBWKMAITQMWLZ-UHFFFAOYSA-N 1 0 303.789 3.408 20 10 DGCDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccccc1O ZINC000865771686 621992348 /nfs/dbraw/zinc/99/23/48/621992348.db2.gz MWALURDFDIUPIW-QGZVFWFLSA-N 1 0 305.805 3.129 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)c2ccncc2)c1O ZINC000761206543 621994355 /nfs/dbraw/zinc/99/43/55/621994355.db2.gz JUVDFKNMDIRMBH-NSHDSACASA-N 1 0 306.793 3.343 20 10 DGCDRO FC1(F)CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000761335224 622001673 /nfs/dbraw/zinc/00/16/73/622001673.db2.gz OEOBBDJJXABOAD-UHFFFAOYSA-N 1 0 310.388 3.191 20 10 DGCDRO CCOCc1cc(C[NH2+]CC[C@@H](O)C2CCCC2)ccc1OC ZINC000865874769 622013142 /nfs/dbraw/zinc/01/31/42/622013142.db2.gz IHVHAYRPCYCAAX-GOSISDBHSA-N 1 0 321.461 3.263 20 10 DGCDRO Cc1cc(CC[NH2+]C2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000761571334 622018496 /nfs/dbraw/zinc/01/84/96/622018496.db2.gz ICQGBAOTUCLGMV-UHFFFAOYSA-N 1 0 311.473 3.320 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000762612193 622086336 /nfs/dbraw/zinc/08/63/36/622086336.db2.gz CXCPGSFRCPLDJL-OAGGEKHMSA-N 1 0 308.516 3.222 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc2c1OCC2 ZINC000762620392 622087123 /nfs/dbraw/zinc/08/71/23/622087123.db2.gz ZXVIXRLZXDBVQW-BMFZPTHFSA-N 1 0 307.484 3.091 20 10 DGCDRO CCC[C@H](CCO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000866414348 622113628 /nfs/dbraw/zinc/11/36/28/622113628.db2.gz DYTKNPWDZDOYRX-ZYHUDNBSSA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc1 ZINC000121044976 622114758 /nfs/dbraw/zinc/11/47/58/622114758.db2.gz MPTHIIFUJGKZRW-GOSISDBHSA-N 1 0 312.413 3.277 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1O ZINC000866446046 622119932 /nfs/dbraw/zinc/11/99/32/622119932.db2.gz OEFISODGUZYHMV-GRPBGDFSSA-N 1 0 307.821 3.428 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(F)ccc1O ZINC000866477752 622124285 /nfs/dbraw/zinc/12/42/85/622124285.db2.gz BMPUKVSKOOZOIB-GFCCVEGCSA-N 1 0 301.361 3.455 20 10 DGCDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000866487170 622126264 /nfs/dbraw/zinc/12/62/64/622126264.db2.gz VJUDPRKYKDWUCX-QEJZJMRPSA-N 1 0 324.465 3.207 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1O ZINC000866489454 622126468 /nfs/dbraw/zinc/12/64/68/622126468.db2.gz NVVZAMHDIXHAIK-ICCXJUOJSA-N 1 0 314.223 3.027 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000866527124 622131774 /nfs/dbraw/zinc/13/17/74/622131774.db2.gz VDKGRCHCACNUJH-UPJWGTAASA-N 1 0 321.417 3.172 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccccc1O ZINC000866533739 622134052 /nfs/dbraw/zinc/13/40/52/622134052.db2.gz VAHWVORBKSNPDO-GDBMZVCRSA-N 1 0 305.418 3.019 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000763453375 622146211 /nfs/dbraw/zinc/14/62/11/622146211.db2.gz RLOGVCJDRKHPLY-MJGOQNOKSA-N 1 0 315.388 3.096 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCn3nccc32)c2c1c(F)ccc2O ZINC000866634500 622150805 /nfs/dbraw/zinc/15/08/05/622150805.db2.gz ROYHNIAZFLXLCE-WXHSDQCUSA-N 1 0 301.365 3.401 20 10 DGCDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000763646217 622156669 /nfs/dbraw/zinc/15/66/69/622156669.db2.gz KUJQYLRPJYZVEN-HNNXBMFYSA-N 1 0 318.436 3.427 20 10 DGCDRO CC(C)OC(=O)[C@H](C)N(C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000121634073 622167594 /nfs/dbraw/zinc/16/75/94/622167594.db2.gz NSWZONTZPVEYLD-LBPRGKRZSA-N 1 0 323.433 3.167 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000764984842 622237710 /nfs/dbraw/zinc/23/77/10/622237710.db2.gz ZIVPCQCYNNTCQE-KRWDZBQOSA-N 1 0 321.804 3.052 20 10 DGCDRO C[C@@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)[S@@](C)=O ZINC000765287120 622256813 /nfs/dbraw/zinc/25/68/13/622256813.db2.gz SARODSSTLINOAC-RCDICMHDSA-N 1 0 317.454 3.306 20 10 DGCDRO COC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765331704 622259772 /nfs/dbraw/zinc/25/97/72/622259772.db2.gz TZGBPCWDUMFFFO-SJLPKXTDSA-N 1 0 320.477 3.235 20 10 DGCDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000765393504 622262724 /nfs/dbraw/zinc/26/27/24/622262724.db2.gz KLYXMJVMCDJXQX-UONOGXRCSA-N 1 0 306.425 3.359 20 10 DGCDRO Cc1occc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765395388 622263045 /nfs/dbraw/zinc/26/30/45/622263045.db2.gz ILFWTVWIFFBKRN-CYBMUJFWSA-N 1 0 318.392 3.415 20 10 DGCDRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccccc1O ZINC000868650880 622268790 /nfs/dbraw/zinc/26/87/90/622268790.db2.gz CVIQKKZIQAATHE-OAHLLOKOSA-N 1 0 319.449 3.019 20 10 DGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000122264559 622274216 /nfs/dbraw/zinc/27/42/16/622274216.db2.gz QALNASJPXJUINW-UHFFFAOYSA-N 1 0 323.440 3.469 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC)C2)cc1 ZINC000765628110 622277864 /nfs/dbraw/zinc/27/78/64/622277864.db2.gz BISYORDQEDJGDR-GDBMZVCRSA-N 1 0 319.449 3.024 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnn(C)c2C)cc1 ZINC000766010586 622300182 /nfs/dbraw/zinc/30/01/82/622300182.db2.gz XBQJLQLJWNLTSP-UHFFFAOYSA-N 1 0 300.450 3.207 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000766089353 622305191 /nfs/dbraw/zinc/30/51/91/622305191.db2.gz QIYJDPUXVMTXMM-SJORKVTESA-N 1 0 307.434 3.473 20 10 DGCDRO CCOC(=O)CC1([NH2+]Cc2cc(C)c(C)cc2O)CCCC1 ZINC000789778912 625565387 /nfs/dbraw/zinc/56/53/87/625565387.db2.gz MJEQLSJGOJCNLF-UHFFFAOYSA-N 1 0 305.418 3.365 20 10 DGCDRO CCOc1ccc(C[N@H+](CCOC)Cc2ccccc2)c(O)c1 ZINC000768161282 622442801 /nfs/dbraw/zinc/44/28/01/622442801.db2.gz UXHFMMIXKNYKFM-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO Cn1cc(C[N@H+](C)Cc2cc(-c3ccccc3)ccc2O)cn1 ZINC000768198456 622444864 /nfs/dbraw/zinc/44/48/64/622444864.db2.gz AZONYNZXXQTEOE-UHFFFAOYSA-N 1 0 307.397 3.425 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000768214772 622446244 /nfs/dbraw/zinc/44/62/44/622446244.db2.gz PJACNDAIIGLLBI-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(C)ccc1O ZINC000768420498 622454982 /nfs/dbraw/zinc/45/49/82/622454982.db2.gz GJVUOISRGNIRNH-UHFFFAOYSA-N 1 0 313.397 3.266 20 10 DGCDRO CNC(=O)c1ccc(C[N@H+](Cc2cc(C)ccc2O)C2CC2)cc1 ZINC000768420582 622455116 /nfs/dbraw/zinc/45/51/16/622455116.db2.gz CNKKLMQOFWHGMF-UHFFFAOYSA-N 1 0 324.424 3.225 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2cc(OC)c(C)cc2O)c1 ZINC000768438349 622455630 /nfs/dbraw/zinc/45/56/30/622455630.db2.gz RMIPHXOCAWUHMA-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CC(C)C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CCCC1 ZINC000768439827 622456006 /nfs/dbraw/zinc/45/60/06/622456006.db2.gz KXNJRGHLFQNXLE-KRWDZBQOSA-N 1 0 305.418 3.219 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]2CCCC[C@@H]12 ZINC000768439151 622456094 /nfs/dbraw/zinc/45/60/94/622456094.db2.gz ILEWYCVLSXVEGR-XJOINEQPSA-N 1 0 317.429 3.219 20 10 DGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(C)cc2O)C1(C)C ZINC000768445642 622456950 /nfs/dbraw/zinc/45/69/50/622456950.db2.gz HXFALVAPFCUJGB-DLBZAZTESA-N 1 0 307.434 3.345 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](CC1CC1)C1CCCCC1)[C@H](O)CO2 ZINC000768448557 622457119 /nfs/dbraw/zinc/45/71/19/622457119.db2.gz CVNSNVUDMHBIJF-GOSISDBHSA-N 1 0 317.429 3.363 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c(O)cc1C ZINC000768462749 622458264 /nfs/dbraw/zinc/45/82/64/622458264.db2.gz DEFVPYFZCKZRPP-INIZCTEOSA-N 1 0 315.417 3.088 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]3COCC[C@@H]31)CCCC2 ZINC000768462617 622458327 /nfs/dbraw/zinc/45/83/27/622458327.db2.gz ANSFZJFHZJOIAK-WMZOPIPTSA-N 1 0 301.430 3.272 20 10 DGCDRO COc1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)c(O)cc1C ZINC000768466246 622458837 /nfs/dbraw/zinc/45/88/37/622458837.db2.gz WMIWUNCSPUUWNB-UHFFFAOYSA-N 1 0 301.308 3.404 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c(O)c1 ZINC000768878272 622482800 /nfs/dbraw/zinc/48/28/00/622482800.db2.gz LCZVSQPIAUNZNO-HNNXBMFYSA-N 1 0 302.374 3.424 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1 ZINC000768891170 622483765 /nfs/dbraw/zinc/48/37/65/622483765.db2.gz BNKRHGUGCVICRL-HNNXBMFYSA-N 1 0 315.413 3.174 20 10 DGCDRO CCOc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1O ZINC000768893949 622483915 /nfs/dbraw/zinc/48/39/15/622483915.db2.gz WHHIGSQRGBXWJG-HNNXBMFYSA-N 1 0 315.413 3.174 20 10 DGCDRO CCOc1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)c(O)c1 ZINC000768936445 622486559 /nfs/dbraw/zinc/48/65/59/622486559.db2.gz DEBVAHXTRPBUBC-KRWDZBQOSA-N 1 0 318.461 3.241 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000769107124 622499075 /nfs/dbraw/zinc/49/90/75/622499075.db2.gz UDNLVSKWOBVIRU-IFXJQAMLSA-N 1 0 313.397 3.363 20 10 DGCDRO CCOC(=O)CC[N@@H+](Cc1cc(Cl)ccc1O)CC1CC1 ZINC000769122535 622500545 /nfs/dbraw/zinc/50/05/45/622500545.db2.gz PNXJSSQCZCWXMH-UHFFFAOYSA-N 1 0 311.809 3.211 20 10 DGCDRO CCOC(=O)CC[N@@H+](Cc1c(O)cccc1Cl)CC1CC1 ZINC000769122063 622500643 /nfs/dbraw/zinc/50/06/43/622500643.db2.gz KSYFKTUSISQFDA-UHFFFAOYSA-N 1 0 311.809 3.211 20 10 DGCDRO CN(C)c1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1F ZINC000769209193 622507872 /nfs/dbraw/zinc/50/78/72/622507872.db2.gz QTTFXUJITOUCEQ-UHFFFAOYSA-N 1 0 319.468 3.342 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2c(O)cccc2OC)cc1C ZINC000769231729 622509616 /nfs/dbraw/zinc/50/96/16/622509616.db2.gz CVTDJDJUEMQUPR-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)o1 ZINC000769235803 622509670 /nfs/dbraw/zinc/50/96/70/622509670.db2.gz GJBLZNPFYNVWIW-NSHDSACASA-N 1 0 307.781 3.117 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000769233952 622509732 /nfs/dbraw/zinc/50/97/32/622509732.db2.gz RZQJATCEXZQPKA-MRXNPFEDSA-N 1 0 308.853 3.496 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000769301147 622514959 /nfs/dbraw/zinc/51/49/59/622514959.db2.gz MDLZUJCFKNZBEJ-SFHVURJKSA-N 1 0 318.461 3.260 20 10 DGCDRO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000769328570 622518299 /nfs/dbraw/zinc/51/82/99/622518299.db2.gz RBHKGHHGZRJYDO-LJQANCHMSA-N 1 0 324.424 3.016 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000769446015 622528121 /nfs/dbraw/zinc/52/81/21/622528121.db2.gz KPCFKMBHQGBDJD-IBGZPJMESA-N 1 0 313.397 3.283 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769452473 622529111 /nfs/dbraw/zinc/52/91/11/622529111.db2.gz SMPJEMMACPHEDV-LSDHHAIUSA-N 1 0 306.425 3.140 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1O ZINC000769471429 622530705 /nfs/dbraw/zinc/53/07/05/622530705.db2.gz UHPUGHQVPKIPNE-ZJUUUORDSA-N 1 0 314.223 3.394 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)CC23CCCCC3)c1 ZINC000769547508 622539933 /nfs/dbraw/zinc/53/99/33/622539933.db2.gz BUIGIWQCNJNWPE-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC23CCOCC3)c1O ZINC000769894070 622573268 /nfs/dbraw/zinc/57/32/68/622573268.db2.gz STHJQMULFRIPOE-UHFFFAOYSA-N 1 0 309.793 3.003 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](CO)c2ccsc2)ccc1OC ZINC000769931899 622579008 /nfs/dbraw/zinc/57/90/08/622579008.db2.gz FPPSUPUSKOSYJS-INIZCTEOSA-N 1 0 321.442 3.116 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccsc2)c2c1c(F)ccc2O ZINC000769990654 622587083 /nfs/dbraw/zinc/58/70/83/622587083.db2.gz VUEFMRMRDPGDHF-JIMOISOXSA-N 1 0 307.390 3.464 20 10 DGCDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000770307410 622619366 /nfs/dbraw/zinc/61/93/66/622619366.db2.gz RYRWDNHEUQBCTC-MRXNPFEDSA-N 1 0 306.425 3.140 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1F ZINC000770301132 622619752 /nfs/dbraw/zinc/61/97/52/622619752.db2.gz MIDJOZCVLBBZBO-OAHLLOKOSA-N 1 0 304.409 3.313 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000770319735 622621536 /nfs/dbraw/zinc/62/15/36/622621536.db2.gz BGCYEBNKSIWDPJ-BBRMVZONSA-N 1 0 317.385 3.082 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000770375005 622627308 /nfs/dbraw/zinc/62/73/08/622627308.db2.gz PPTGMSRIDAEECC-ZBFHGGJFSA-N 1 0 305.418 3.039 20 10 DGCDRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1O ZINC000770504547 622640483 /nfs/dbraw/zinc/64/04/83/622640483.db2.gz IZLISEHPMQFEJR-KGLIPLIRSA-N 1 0 320.433 3.127 20 10 DGCDRO CCCCCC[N@H+](CCN1CCOCC1)Cc1ccccc1O ZINC000770510865 622641588 /nfs/dbraw/zinc/64/15/88/622641588.db2.gz STDXSARPSWUSPZ-UHFFFAOYSA-N 1 0 320.477 3.107 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCOC(C)(C)C3)C2)cc1 ZINC000872079645 622793877 /nfs/dbraw/zinc/79/38/77/622793877.db2.gz JVOMEQFHABNARE-HOTGVXAUSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC(C)(C)C3)C2)cc1 ZINC000872079646 622794125 /nfs/dbraw/zinc/79/41/25/622794125.db2.gz JVOMEQFHABNARE-HZPDHXFCSA-N 1 0 318.461 3.069 20 10 DGCDRO C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1cc(F)ccc1O ZINC000872109240 622811871 /nfs/dbraw/zinc/81/18/71/622811871.db2.gz JKHMPFJDPJYMQR-SECBINFHSA-N 1 0 317.286 3.097 20 10 DGCDRO CC[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Cl)ccc1O ZINC000872112894 622814837 /nfs/dbraw/zinc/81/48/37/622814837.db2.gz LQJFAVNQJDQHGC-FZMZJTMJSA-N 1 0 311.809 3.430 20 10 DGCDRO Cc1cccc2ncc(C[N@@H+](C)Cc3ccc(N(C)C)cc3)n21 ZINC000771935560 622819605 /nfs/dbraw/zinc/81/96/05/622819605.db2.gz WYLXPPWFNNLUAK-UHFFFAOYSA-N 1 0 308.429 3.341 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(O)c1 ZINC000771934834 622820217 /nfs/dbraw/zinc/82/02/17/622820217.db2.gz BCHIAVMNQLOJGT-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO c1ccc([C@@H]2CC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000771939301 622821277 /nfs/dbraw/zinc/82/12/77/622821277.db2.gz PUHFCWNJXOGHEB-FQEVSTJZSA-N 1 0 308.425 3.470 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)CC2 ZINC000872129182 622824046 /nfs/dbraw/zinc/82/40/46/622824046.db2.gz VWBJZZHCAPSVRS-JKSUJKDBSA-N 1 0 317.816 3.226 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872262262 622871459 /nfs/dbraw/zinc/87/14/59/622871459.db2.gz WILYKMCMGSPVSU-INIZCTEOSA-N 1 0 305.418 3.324 20 10 DGCDRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc4c(c3)CCO4)c(C)n2n1 ZINC000772447702 622898009 /nfs/dbraw/zinc/89/80/09/622898009.db2.gz MHKKNXDKKOVCKK-ZDUSSCGKSA-N 1 0 322.412 3.132 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773009905 622965807 /nfs/dbraw/zinc/96/58/07/622965807.db2.gz PXVKAVGKASMIRD-KSSFIOAISA-N 1 0 314.429 3.145 20 10 DGCDRO Oc1ccc2oc3c(c2c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1)CCCC3 ZINC000872785498 622978589 /nfs/dbraw/zinc/97/85/89/622978589.db2.gz SJWHGHWVLSYSFD-BETUJISGSA-N 1 0 313.397 3.095 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)cc1 ZINC000773108303 622985501 /nfs/dbraw/zinc/98/55/01/622985501.db2.gz WAGLRRNQTQIFOO-WCQYABFASA-N 1 0 304.356 3.107 20 10 DGCDRO COc1cccc(C[NH2+]CCCCC(=O)OC(C)(C)C)c1O ZINC000773428153 623025650 /nfs/dbraw/zinc/02/56/50/623025650.db2.gz OFAJJYZHCNDVQL-UHFFFAOYSA-N 1 0 309.406 3.002 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1 ZINC000773426793 623025950 /nfs/dbraw/zinc/02/59/50/623025950.db2.gz HEVRFEQRKGLJLL-GOSISDBHSA-N 1 0 318.461 3.308 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)[C@@H](O)c2ccccc2)c1 ZINC000873193197 623068529 /nfs/dbraw/zinc/06/85/29/623068529.db2.gz JSOVLRVBOFUYRJ-HKUYNNGSSA-N 1 0 315.413 3.393 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000773756821 623068797 /nfs/dbraw/zinc/06/87/97/623068797.db2.gz VXLKSOHMSCEOMD-INIZCTEOSA-N 1 0 318.461 3.306 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000773802500 623073237 /nfs/dbraw/zinc/07/32/37/623073237.db2.gz VOBBRSHYHXSQIZ-APWZRJJASA-N 1 0 312.461 3.422 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000773838552 623077829 /nfs/dbraw/zinc/07/78/29/623077829.db2.gz ILXYKCCOEXCRCR-GOSISDBHSA-N 1 0 302.462 3.391 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774484880 623151084 /nfs/dbraw/zinc/15/10/84/623151084.db2.gz SXAWVHWDDSXCFS-ZNMIVQPWSA-N 1 0 305.466 3.097 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774484878 623151174 /nfs/dbraw/zinc/15/11/74/623151174.db2.gz SXAWVHWDDSXCFS-SOUVJXGZSA-N 1 0 305.466 3.097 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000774483374 623151239 /nfs/dbraw/zinc/15/12/39/623151239.db2.gz KEFFLRHSIQTKHT-CVEARBPZSA-N 1 0 317.477 3.050 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCCCCC1 ZINC000774486730 623151690 /nfs/dbraw/zinc/15/16/90/623151690.db2.gz XMDRHKHZNRUSFV-HOTGVXAUSA-N 1 0 317.477 3.194 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCCC(C)(C)C2)c1 ZINC000774488932 623152028 /nfs/dbraw/zinc/15/20/28/623152028.db2.gz SDCFYQUOVUQTFT-CQSZACIVSA-N 1 0 306.450 3.173 20 10 DGCDRO COc1cc(C[N@@H+]2CCOCC3(CCCC3)C2)c(O)cc1C ZINC000774651097 623171156 /nfs/dbraw/zinc/17/11/56/623171156.db2.gz IKIVUXRIYLIYRP-UHFFFAOYSA-N 1 0 305.418 3.102 20 10 DGCDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000775129962 623233920 /nfs/dbraw/zinc/23/39/20/623233920.db2.gz JBAIGKQMKFLOMP-LBPRGKRZSA-N 1 0 302.330 3.030 20 10 DGCDRO COC[C@H](CC(C)C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000775145042 623235070 /nfs/dbraw/zinc/23/50/70/623235070.db2.gz HNSURLBRGLSSTC-LBPRGKRZSA-N 1 0 316.239 3.305 20 10 DGCDRO CCCN(Cc1ncc(COC)s1)c1ccc(C[NH3+])cc1 ZINC000775149367 623235506 /nfs/dbraw/zinc/23/55/06/623235506.db2.gz PTKXYGRTOSBPSF-UHFFFAOYSA-N 1 0 305.447 3.165 20 10 DGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000775201509 623241135 /nfs/dbraw/zinc/24/11/35/623241135.db2.gz QSOISXQMFSLWOO-INIZCTEOSA-N 1 0 305.805 3.486 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c(O)c1 ZINC000775328328 623254746 /nfs/dbraw/zinc/25/47/46/623254746.db2.gz LBBNOXFWDQCLKB-UHFFFAOYSA-N 1 0 315.413 3.308 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)nc1 ZINC000775370738 623261125 /nfs/dbraw/zinc/26/11/25/623261125.db2.gz PVMHBHMIZOKBOY-GFCCVEGCSA-N 1 0 302.374 3.045 20 10 DGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC000775374085 623261191 /nfs/dbraw/zinc/26/11/91/623261191.db2.gz GQNSUDRRXICTJH-SFHVURJKSA-N 1 0 306.450 3.210 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3nsnc32)c1 ZINC000775370412 623261319 /nfs/dbraw/zinc/26/13/19/623261319.db2.gz VCXUJNFBLBTRCC-JTQLQIEISA-N 1 0 315.398 3.256 20 10 DGCDRO C[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCCCC1 ZINC000775403427 623269488 /nfs/dbraw/zinc/26/94/88/623269488.db2.gz IPZSHAKUYVURNS-JKSUJKDBSA-N 1 0 317.477 3.194 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccccc1CC(=O)OC)c1ccccc1O ZINC000775416661 623272467 /nfs/dbraw/zinc/27/24/67/623272467.db2.gz WCZOFVVIXXZBDY-QGZVFWFLSA-N 1 0 313.397 3.349 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccccc1CC(=O)OC)c1ccccc1O ZINC000775416660 623272730 /nfs/dbraw/zinc/27/27/30/623272730.db2.gz WCZOFVVIXXZBDY-KRWDZBQOSA-N 1 0 313.397 3.349 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775487697 623278743 /nfs/dbraw/zinc/27/87/43/623278743.db2.gz NVFQUCUOSGHKMQ-GDBMZVCRSA-N 1 0 318.804 3.313 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1O ZINC000775504320 623281369 /nfs/dbraw/zinc/28/13/69/623281369.db2.gz XKDWXNWWDHYGRK-WMZOPIPTSA-N 1 0 318.461 3.076 20 10 DGCDRO CC[C@@H]([NH2+]CC(C)(C)N1CCC(OC)CC1)c1ccccc1O ZINC000775503571 623281403 /nfs/dbraw/zinc/28/14/03/623281403.db2.gz JLRCDVMIPQZUAM-QGZVFWFLSA-N 1 0 320.477 3.322 20 10 DGCDRO CC[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775514159 623283070 /nfs/dbraw/zinc/28/30/70/623283070.db2.gz XJSQTZSFRXVIDX-DZGCQCFKSA-N 1 0 313.825 3.282 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)c1cc(Cl)ccc1O ZINC000775524711 623283701 /nfs/dbraw/zinc/28/37/01/623283701.db2.gz GVFLPOKBEUGFIE-UBHSHLNASA-N 1 0 310.825 3.001 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)c2c1c(F)ccc2O ZINC000775554957 623288402 /nfs/dbraw/zinc/28/84/02/623288402.db2.gz QDPRQKHYKWTPDS-JGGQBBKZSA-N 1 0 315.388 3.273 20 10 DGCDRO CC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Cl)ccc1O ZINC000775551217 623288941 /nfs/dbraw/zinc/28/89/41/623288941.db2.gz JNYNKGCGGXJFDU-ZDUSSCGKSA-N 1 0 320.824 3.214 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cccc(C)c1O ZINC000775651110 623304451 /nfs/dbraw/zinc/30/44/51/623304451.db2.gz YYBUHEZRWDPUFN-UHFFFAOYSA-N 1 0 313.397 3.266 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)c1O ZINC000775696773 623315586 /nfs/dbraw/zinc/31/55/86/623315586.db2.gz ODUMUOPDWSJYBI-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717053 623318102 /nfs/dbraw/zinc/31/81/02/623318102.db2.gz QKLGDDRDWJNDTD-CQSZACIVSA-N 1 0 314.832 3.491 20 10 DGCDRO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc(F)c3[O-])CC[C@H]21 ZINC000775742537 623323410 /nfs/dbraw/zinc/32/34/10/623323410.db2.gz UUFGYCYROOJSLP-IAQYHMDHSA-N 1 0 312.816 3.101 20 10 DGCDRO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830419 623338586 /nfs/dbraw/zinc/33/85/86/623338586.db2.gz IEVYQERJSDSZFT-HOTGVXAUSA-N 1 0 319.493 3.488 20 10 DGCDRO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775837451 623339133 /nfs/dbraw/zinc/33/91/33/623339133.db2.gz SRCBKJJVHOJDGK-HOTGVXAUSA-N 1 0 319.493 3.296 20 10 DGCDRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)c1ccc(N(C)C)cc1 ZINC000775833007 623339296 /nfs/dbraw/zinc/33/92/96/623339296.db2.gz FFXBBHYICJEMDF-LLVKDONJSA-N 1 0 308.376 3.275 20 10 DGCDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775835105 623339640 /nfs/dbraw/zinc/33/96/40/623339640.db2.gz FHOOFAMXZYQRHT-OAHLLOKOSA-N 1 0 311.429 3.350 20 10 DGCDRO CCCN(CCC)C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834181 623339774 /nfs/dbraw/zinc/33/97/74/623339774.db2.gz LEIXCONQSVTPRH-OAHLLOKOSA-N 1 0 305.466 3.052 20 10 DGCDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(N3CCCCC3)cc2)CCN1C ZINC000775986219 623361289 /nfs/dbraw/zinc/36/12/89/623361289.db2.gz PYYNKKTYMBBSCS-SJORKVTESA-N 1 0 301.478 3.201 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1N(C)C ZINC000776163451 623386301 /nfs/dbraw/zinc/38/63/01/623386301.db2.gz BKMZXOQMMFEQAI-JQHSSLGASA-N 1 0 300.446 3.108 20 10 DGCDRO C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000776268710 623404266 /nfs/dbraw/zinc/40/42/66/623404266.db2.gz FNUNESBEBHLWES-FZKCQIBNSA-N 1 0 317.477 3.191 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1C ZINC000776291347 623407639 /nfs/dbraw/zinc/40/76/39/623407639.db2.gz BQKRVJQJWLKGFX-IBGZPJMESA-N 1 0 311.425 3.453 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)cc1 ZINC000776958184 623479216 /nfs/dbraw/zinc/47/92/16/623479216.db2.gz AKMQKNWECPXUEY-SFHVURJKSA-N 1 0 318.461 3.308 20 10 DGCDRO c1cc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)cc2c1OCC2 ZINC000776959996 623479964 /nfs/dbraw/zinc/47/99/64/623479964.db2.gz XBGANUZIPJYYJU-KRWDZBQOSA-N 1 0 317.429 3.177 20 10 DGCDRO C[C@@H]([NH2+]CCCn1cncn1)c1ccc(N2CCCCC2)cc1 ZINC000776972821 623481035 /nfs/dbraw/zinc/48/10/35/623481035.db2.gz BLVAEPKYHLFYFQ-MRXNPFEDSA-N 1 0 313.449 3.009 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000777222791 623507346 /nfs/dbraw/zinc/50/73/46/623507346.db2.gz SRZJQZLHNQSSGR-SFHVURJKSA-N 1 0 320.396 3.098 20 10 DGCDRO CC(C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000777301272 623510954 /nfs/dbraw/zinc/51/09/54/623510954.db2.gz IZBAEMUAFLVSSQ-MRXNPFEDSA-N 1 0 321.465 3.316 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1F ZINC000777440103 623526194 /nfs/dbraw/zinc/52/61/94/623526194.db2.gz UDRXBCZUSRXMRO-KRWDZBQOSA-N 1 0 306.425 3.283 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000777469909 623529453 /nfs/dbraw/zinc/52/94/53/623529453.db2.gz PHYQCCFWWSNBLX-VQIMIIECSA-N 1 0 303.494 3.305 20 10 DGCDRO COCC[N@H+](Cc1cc(OC)c(C)cc1O)[C@H]1CC[C@@H](C)C1 ZINC000790477704 625657910 /nfs/dbraw/zinc/65/79/10/625657910.db2.gz HOOLZWRWPUVPHM-CJNGLKHVSA-N 1 0 307.434 3.346 20 10 DGCDRO COCC[N@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CC[C@H](C)C1 ZINC000790479520 625659809 /nfs/dbraw/zinc/65/98/09/625659809.db2.gz PHKOVLBQNBJJQH-XJKSGUPXSA-N 1 0 307.434 3.346 20 10 DGCDRO COCC[N@H+](Cc1cc(C)cc(OC)c1O)[C@H]1CC[C@@H](C)C1 ZINC000790479518 625659833 /nfs/dbraw/zinc/65/98/33/625659833.db2.gz PHKOVLBQNBJJQH-CJNGLKHVSA-N 1 0 307.434 3.346 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1F ZINC000778215150 623626829 /nfs/dbraw/zinc/62/68/29/623626829.db2.gz RDDNYQIPQRBMQP-IBGZPJMESA-N 1 0 316.420 3.279 20 10 DGCDRO CC[C@@](C)(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)OC ZINC000876531418 623635440 /nfs/dbraw/zinc/63/54/40/623635440.db2.gz FXPVABHACSTLKH-AEFFLSMTSA-N 1 0 307.434 3.188 20 10 DGCDRO CCc1ccccc1NC(=O)C[N@H+](C)Cc1c(C)cccc1O ZINC000876539850 623638076 /nfs/dbraw/zinc/63/80/76/623638076.db2.gz RAZGAOPUQNEFJN-UHFFFAOYSA-N 1 0 312.413 3.334 20 10 DGCDRO CC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876613864 623660480 /nfs/dbraw/zinc/66/04/80/623660480.db2.gz WVXDHTAEJFZELN-INIZCTEOSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000876652451 623670483 /nfs/dbraw/zinc/67/04/83/623670483.db2.gz CUIJUKHCCCGFJX-CQSZACIVSA-N 1 0 320.433 3.047 20 10 DGCDRO CCCCCC(=O)NC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876657165 623672516 /nfs/dbraw/zinc/67/25/16/623672516.db2.gz KSBIKDRLRGOMEP-UHFFFAOYSA-N 1 0 318.461 3.362 20 10 DGCDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876751360 623696730 /nfs/dbraw/zinc/69/67/30/623696730.db2.gz XIBOHUAWBJPTGH-HOTGVXAUSA-N 1 0 302.462 3.268 20 10 DGCDRO CCOC(=O)CCC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876781225 623705313 /nfs/dbraw/zinc/70/53/13/623705313.db2.gz MYUBWNQCZSDDJM-UHFFFAOYSA-N 1 0 305.418 3.256 20 10 DGCDRO CC(=O)N1CC[N@H+](Cc2ccc(C)cc2O)CC12CCCCC2 ZINC000876804678 623711449 /nfs/dbraw/zinc/71/14/49/623711449.db2.gz ROFJQLIZGIVJTF-UHFFFAOYSA-N 1 0 316.445 3.068 20 10 DGCDRO C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCO1 ZINC000778991585 623716978 /nfs/dbraw/zinc/71/69/78/623716978.db2.gz AQNPFXNPPHPUKK-NUJGCVRESA-N 1 0 319.445 3.188 20 10 DGCDRO C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCO1 ZINC000778991587 623717226 /nfs/dbraw/zinc/71/72/26/623717226.db2.gz AQNPFXNPPHPUKK-RYRKJORJSA-N 1 0 319.445 3.188 20 10 DGCDRO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(F)ccc1O ZINC000779035395 623724029 /nfs/dbraw/zinc/72/40/29/623724029.db2.gz ZJAZMWONOHSJQV-KPZWWZAWSA-N 1 0 301.361 3.355 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)c1O ZINC000779050361 623724652 /nfs/dbraw/zinc/72/46/52/623724652.db2.gz OUNVRXJUIJPOGJ-AXFHLTTASA-N 1 0 316.239 3.273 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876874570 623734676 /nfs/dbraw/zinc/73/46/76/623734676.db2.gz HGQWCFMXOBLINV-CALCHBBNSA-N 1 0 317.477 3.007 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1F ZINC000779188243 623739814 /nfs/dbraw/zinc/73/98/14/623739814.db2.gz IWPWAOLDDVNKGL-MRXNPFEDSA-N 1 0 306.425 3.283 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CS1 ZINC000876942773 623750280 /nfs/dbraw/zinc/75/02/80/623750280.db2.gz FCQJVCLNDGEROM-UKRRQHHQSA-N 1 0 308.516 3.223 20 10 DGCDRO COCCOc1ccccc1C[NH2+]Cc1c(C)cccc1O ZINC000876958973 623754723 /nfs/dbraw/zinc/75/47/23/623754723.db2.gz MQSRMWIYGBLPOT-UHFFFAOYSA-N 1 0 301.386 3.016 20 10 DGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000779343839 623762217 /nfs/dbraw/zinc/76/22/17/623762217.db2.gz CBPCSDPWNZKUHS-CQSZACIVSA-N 1 0 318.461 3.279 20 10 DGCDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876995248 623762787 /nfs/dbraw/zinc/76/27/87/623762787.db2.gz CPPSDJMZDLQGLP-LRTDBIEQSA-N 1 0 311.362 3.434 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2CC(n3cccn3)C2)cc1F ZINC000877027615 623769204 /nfs/dbraw/zinc/76/92/04/623769204.db2.gz QIDYXTOSRVHSFK-UHFFFAOYSA-N 1 0 316.424 3.362 20 10 DGCDRO COC(=O)C(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000779431878 623769434 /nfs/dbraw/zinc/76/94/34/623769434.db2.gz GTEWWHZCCFIZGG-UHFFFAOYSA-N 1 0 313.397 3.348 20 10 DGCDRO COc1c(C)cnc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1C ZINC000877031099 623769973 /nfs/dbraw/zinc/76/99/73/623769973.db2.gz MKTKRYCURQZGOS-UHFFFAOYSA-N 1 0 313.445 3.371 20 10 DGCDRO Cc1ccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877035369 623771104 /nfs/dbraw/zinc/77/11/04/623771104.db2.gz GDOXLWBMUPLSCN-UHFFFAOYSA-N 1 0 324.468 3.288 20 10 DGCDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000779510023 623776016 /nfs/dbraw/zinc/77/60/16/623776016.db2.gz HWFHORNNFGDVHL-KRWDZBQOSA-N 1 0 303.377 3.304 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC000877059325 623778627 /nfs/dbraw/zinc/77/86/27/623778627.db2.gz URWYMZIZOJUAHV-OAHLLOKOSA-N 1 0 320.433 3.094 20 10 DGCDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc(C)cc1O ZINC000877073702 623784061 /nfs/dbraw/zinc/78/40/61/623784061.db2.gz QSQBXBWLGHMXLZ-CQSZACIVSA-N 1 0 301.386 3.266 20 10 DGCDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc(C)cc1O ZINC000877073701 623784427 /nfs/dbraw/zinc/78/44/27/623784427.db2.gz QSQBXBWLGHMXLZ-AWEZNQCLSA-N 1 0 301.386 3.266 20 10 DGCDRO CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)c1ccc(N)cc1 ZINC000877076231 623785204 /nfs/dbraw/zinc/78/52/04/623785204.db2.gz OPZUOGBSHQAGPM-INIZCTEOSA-N 1 0 303.450 3.310 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC4CCC3CC4)cc2)CC1 ZINC000877089180 623788976 /nfs/dbraw/zinc/78/89/76/623788976.db2.gz LGSJLPBRRGVWIT-LAGYLCCXSA-N 1 0 314.473 3.316 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC34CCC(CC3)C4)cc2)CC1 ZINC000877125193 623796749 /nfs/dbraw/zinc/79/67/49/623796749.db2.gz ZTKRQUWLDGIIIT-UHFFFAOYSA-N 1 0 314.473 3.318 20 10 DGCDRO COc1ccc(COCC[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877133542 623800460 /nfs/dbraw/zinc/80/04/60/623800460.db2.gz KLYIMWNOKOJWRC-UHFFFAOYSA-N 1 0 301.386 3.016 20 10 DGCDRO COc1c(C)cnc(C[N@H+](C)Cc2c(C)cccc2O)c1C ZINC000877320332 623851268 /nfs/dbraw/zinc/85/12/68/623851268.db2.gz XYFGTBOGNNPLQU-UHFFFAOYSA-N 1 0 300.402 3.353 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000877377723 623862084 /nfs/dbraw/zinc/86/20/84/623862084.db2.gz WJFHWDJPPUGUHU-OAHLLOKOSA-N 1 0 305.418 3.254 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000877478524 623902546 /nfs/dbraw/zinc/90/25/46/623902546.db2.gz NLAZPXFGYXVDEP-IPMKNSEASA-N 1 0 318.461 3.088 20 10 DGCDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000877494095 623911297 /nfs/dbraw/zinc/91/12/97/623911297.db2.gz SNIPQBOFNIDZIW-LAJNKCICSA-N 1 0 315.350 3.213 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)c1O ZINC000877525621 623924287 /nfs/dbraw/zinc/92/42/87/623924287.db2.gz JOJIZRLNOWHFNA-FZKQIMNGSA-N 1 0 301.386 3.267 20 10 DGCDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000877526839 623924472 /nfs/dbraw/zinc/92/44/72/623924472.db2.gz VOTKJXZTBOREJL-LAJNKCICSA-N 1 0 315.350 3.213 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000790749126 625691940 /nfs/dbraw/zinc/69/19/40/625691940.db2.gz CUOZHEIQSXJFHJ-GFCCVEGCSA-N 1 0 312.404 3.443 20 10 DGCDRO Cc1ccoc1C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877546968 623936164 /nfs/dbraw/zinc/93/61/64/623936164.db2.gz YZMWKPUFZGHENV-UHFFFAOYSA-N 1 0 314.429 3.181 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000877549424 623937234 /nfs/dbraw/zinc/93/72/34/623937234.db2.gz MWCUOYHGVIRJIH-UHFFFAOYSA-N 1 0 310.319 3.447 20 10 DGCDRO OC1CCN(c2ccc(CNc3cc4c(c[nH+]3)CCC4)cc2)CC1 ZINC000877552878 623939233 /nfs/dbraw/zinc/93/92/33/623939233.db2.gz HRJBEPNJUWDAHN-UHFFFAOYSA-N 1 0 323.440 3.144 20 10 DGCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)Oc2ccccc21 ZINC000877590027 623953579 /nfs/dbraw/zinc/95/35/79/623953579.db2.gz WHGMTVMYCQCOJU-LJQANCHMSA-N 1 0 309.365 3.002 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](C4CCC4)C3)cc2)CC1 ZINC000877592578 623954494 /nfs/dbraw/zinc/95/44/94/623954494.db2.gz IKQBDNMTRFUXSX-SFHVURJKSA-N 1 0 314.473 3.270 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CC(n2cccn2)C1 ZINC000877592249 623954972 /nfs/dbraw/zinc/95/49/72/623954972.db2.gz MXBKJLYURDPHQY-LSJNQWAISA-N 1 0 312.461 3.182 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CS[C@H](C)C3)C2)cc1 ZINC000877597887 623956803 /nfs/dbraw/zinc/95/68/03/623956803.db2.gz BQVSDEXWIOWEJO-RBSFLKMASA-N 1 0 306.475 3.005 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CS[C@@H](C)C3)C2)cc1 ZINC000877597889 623956905 /nfs/dbraw/zinc/95/69/05/623956905.db2.gz BQVSDEXWIOWEJO-ZNMIVQPWSA-N 1 0 306.475 3.005 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3C[C@H]3C3CCC3)cc2)CC1 ZINC000877597874 623957236 /nfs/dbraw/zinc/95/72/36/623957236.db2.gz BLORVJMNBHOYGE-PXNSSMCTSA-N 1 0 314.473 3.174 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000877628302 623969819 /nfs/dbraw/zinc/96/98/19/623969819.db2.gz GKWZMICHDYOCDE-ZWKOTPCHSA-N 1 0 311.425 3.299 20 10 DGCDRO CCSC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877636166 623972226 /nfs/dbraw/zinc/97/22/26/623972226.db2.gz OSTGEKFJLZDYCQ-UHFFFAOYSA-N 1 0 320.502 3.023 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CC1(C)C ZINC000877643126 623975145 /nfs/dbraw/zinc/97/51/45/623975145.db2.gz ADRUNLPGENJQON-INIZCTEOSA-N 1 0 302.462 3.126 20 10 DGCDRO CCOP(=O)(CCC[NH2+]Cc1cc(C)ccc1O)OCC ZINC000877653135 623978853 /nfs/dbraw/zinc/97/88/53/623978853.db2.gz ZSXKBLNUDXXHIH-UHFFFAOYSA-N 1 0 315.350 3.446 20 10 DGCDRO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000877659877 623980641 /nfs/dbraw/zinc/98/06/41/623980641.db2.gz FUBRWHBHIKWKJN-CYBMUJFWSA-N 1 0 308.422 3.046 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2c(C)nn(CC)c2C)c1 ZINC000877664040 623982622 /nfs/dbraw/zinc/98/26/22/623982622.db2.gz KTYRVWRNIWSXSR-UHFFFAOYSA-N 1 0 317.433 3.256 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(C2(C)OCCO2)cc1 ZINC000877666933 623983631 /nfs/dbraw/zinc/98/36/31/623983631.db2.gz CPMXMDWBELQGCM-UHFFFAOYSA-N 1 0 313.397 3.210 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)CC2(C)OCCO2)c1O ZINC000877670211 623985147 /nfs/dbraw/zinc/98/51/47/623985147.db2.gz JXGSZIJFHFMEBA-NSHDSACASA-N 1 0 313.825 3.233 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2csc(C)c2C)cc1OC ZINC000877673986 623987202 /nfs/dbraw/zinc/98/72/02/623987202.db2.gz KWWWJZQZWTXAIK-UHFFFAOYSA-N 1 0 307.415 3.378 20 10 DGCDRO CC(=O)Nc1cccc2c1C[N@H+](Cc1cccc(C)c1O)CC2 ZINC000877681361 623988833 /nfs/dbraw/zinc/98/88/33/623988833.db2.gz LNHXKBOQBZBELS-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO COC(=O)c1oc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1C ZINC000877693995 623993995 /nfs/dbraw/zinc/99/39/95/623993995.db2.gz WPJJVLOKOVEGEC-UHFFFAOYSA-N 1 0 323.776 3.332 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cc1F ZINC000780892555 623994224 /nfs/dbraw/zinc/99/42/24/623994224.db2.gz LIIIWFFRTVURPZ-ZBFHGGJFSA-N 1 0 308.441 3.265 20 10 DGCDRO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000877694931 623994594 /nfs/dbraw/zinc/99/45/94/623994594.db2.gz UFRJSDINZSKNNO-UHFFFAOYSA-N 1 0 324.424 3.095 20 10 DGCDRO C[C@H]1CN(c2ccccc2C[N@@H+]2Cc3cccc(O)c3C2)CCO1 ZINC000877703212 623998894 /nfs/dbraw/zinc/99/88/94/623998894.db2.gz WJWNFQJXUNJYDX-HNNXBMFYSA-N 1 0 324.424 3.133 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CN2CCC1CC2 ZINC000877706955 623999908 /nfs/dbraw/zinc/99/99/08/623999908.db2.gz VRBCZBCIRLWEGD-FQEVSTJZSA-N 1 0 313.489 3.203 20 10 DGCDRO CCOC(=O)C1CCC([NH2+]Cc2ccc(OCC)cc2O)CC1 ZINC000877717322 624004379 /nfs/dbraw/zinc/00/43/79/624004379.db2.gz HUEYMAZWNHYGFY-UHFFFAOYSA-N 1 0 321.417 3.002 20 10 DGCDRO COc1cc(F)c(C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000877755969 624022331 /nfs/dbraw/zinc/02/23/31/624022331.db2.gz VFZRMASDHYFYNJ-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H](C)c2ccccc2O)c1C ZINC000877758029 624024249 /nfs/dbraw/zinc/02/42/49/624024249.db2.gz DYGWRVBQXBVQPC-LBPRGKRZSA-N 1 0 316.401 3.365 20 10 DGCDRO Cc1cccc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c1O ZINC000877762315 624025570 /nfs/dbraw/zinc/02/55/70/624025570.db2.gz FZBPBBDDHWSSPU-KRWDZBQOSA-N 1 0 309.413 3.080 20 10 DGCDRO COc1c([O-])c(C[NH2+]CCC[C@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000877807547 624040604 /nfs/dbraw/zinc/04/06/04/624040604.db2.gz WZBJTASZKGKFQW-LBPRGKRZSA-N 1 0 306.362 3.145 20 10 DGCDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000877818813 624050521 /nfs/dbraw/zinc/05/05/21/624050521.db2.gz PLMGPEBEYGEHLI-LBPRGKRZSA-N 1 0 311.809 3.211 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000877823615 624056596 /nfs/dbraw/zinc/05/65/96/624056596.db2.gz XLPYIQITJYACPJ-SMDDNHRTSA-N 1 0 317.351 3.496 20 10 DGCDRO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1cc(C)ccc1O ZINC000781417497 624068798 /nfs/dbraw/zinc/06/87/98/624068798.db2.gz VVIJRGFQHYFNLB-UHFFFAOYSA-N 1 0 307.397 3.485 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000878354269 624254231 /nfs/dbraw/zinc/25/42/31/624254231.db2.gz HSCJXBNLWQEAPG-CABCVRRESA-N 1 0 305.418 3.019 20 10 DGCDRO COc1cnccc1[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000782546297 624262512 /nfs/dbraw/zinc/26/25/12/624262512.db2.gz ZAKSTHMAKCNXJX-LBPRGKRZSA-N 1 0 303.381 3.146 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cnccc2C)c1O ZINC000783003112 624299383 /nfs/dbraw/zinc/29/93/83/624299383.db2.gz XQJWXTPDBAGSBO-LLVKDONJSA-N 1 0 302.349 3.288 20 10 DGCDRO COC[C@@H]([NH2+]CCCSc1nccs1)C1CCCC1 ZINC000783245524 624330123 /nfs/dbraw/zinc/33/01/23/624330123.db2.gz NZKHYDGZGKALDM-CYBMUJFWSA-N 1 0 300.493 3.420 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccccc1O ZINC000783504911 624359808 /nfs/dbraw/zinc/35/98/08/624359808.db2.gz OUDMKQRRPGJGHB-ZDUSSCGKSA-N 1 0 312.369 3.200 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCc3ncsc3C1)CCCC2 ZINC000783545647 624364324 /nfs/dbraw/zinc/36/43/24/624364324.db2.gz OMMSCOMIVMBJCE-UHFFFAOYSA-N 1 0 300.427 3.286 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000784680398 624571606 /nfs/dbraw/zinc/57/16/06/624571606.db2.gz QRXDFUPAXYSVRW-MRXNPFEDSA-N 1 0 305.805 3.129 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000784680397 624571704 /nfs/dbraw/zinc/57/17/04/624571704.db2.gz QRXDFUPAXYSVRW-INIZCTEOSA-N 1 0 305.805 3.129 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1O ZINC000879648548 624621004 /nfs/dbraw/zinc/62/10/04/624621004.db2.gz SWICOOPWZOVMNF-VLIAUNLRSA-N 1 0 324.424 3.310 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1ccccc1O ZINC000879648029 624621266 /nfs/dbraw/zinc/62/12/66/624621266.db2.gz WFZCLIXRWVWLAS-ZIAGYGMSSA-N 1 0 310.397 3.021 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1ccccc1O ZINC000879648296 624621332 /nfs/dbraw/zinc/62/13/32/624621332.db2.gz IVAAZCJIEBKTRI-MNOVXSKESA-N 1 0 319.792 3.118 20 10 DGCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2O)c(C)s1 ZINC000879648452 624621499 /nfs/dbraw/zinc/62/14/99/624621499.db2.gz PVLYZOFKWRYRHH-SNVBAGLBSA-N 1 0 305.399 3.400 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000879647891 624621509 /nfs/dbraw/zinc/62/15/09/624621509.db2.gz PITCEMCBUKOSQC-HGTKMLMNSA-N 1 0 304.434 3.126 20 10 DGCDRO C[C@@H]([NH2+]CCOCCOc1ccccc1)c1ccccc1O ZINC000879649329 624623050 /nfs/dbraw/zinc/62/30/50/624623050.db2.gz QOTLABZUBFYGCQ-OAHLLOKOSA-N 1 0 301.386 3.138 20 10 DGCDRO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648779 624623120 /nfs/dbraw/zinc/62/31/20/624623120.db2.gz DLBAELGFDIWWKH-OAHLLOKOSA-N 1 0 312.413 3.010 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1ccccc1O ZINC000879651482 624624071 /nfs/dbraw/zinc/62/40/71/624624071.db2.gz XOJQVWDLGFRYLS-AWEZNQCLSA-N 1 0 304.434 3.082 20 10 DGCDRO C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1ccccc1O ZINC000879651620 624624548 /nfs/dbraw/zinc/62/45/48/624624548.db2.gz DQLWMFPMGKQPOV-ZDUSSCGKSA-N 1 0 315.369 3.241 20 10 DGCDRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879652242 624626650 /nfs/dbraw/zinc/62/66/50/624626650.db2.gz XUPQGELEUCXTKD-ZDUSSCGKSA-N 1 0 314.385 3.080 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c1O ZINC000879732471 624655996 /nfs/dbraw/zinc/65/59/96/624655996.db2.gz KAAPEMSVSOQEJW-MRXNPFEDSA-N 1 0 321.392 3.315 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC1(C)C ZINC000785437858 624666430 /nfs/dbraw/zinc/66/64/30/624666430.db2.gz ZWLIFBKKEIKCDT-HNAYVOBHSA-N 1 0 316.489 3.420 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC1(C)C ZINC000785433122 624666468 /nfs/dbraw/zinc/66/64/68/624666468.db2.gz DFSLZJWHSJVWRZ-XJKSGUPXSA-N 1 0 320.452 3.311 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)C2CCOCC2)c1O ZINC000786172878 624818803 /nfs/dbraw/zinc/81/88/03/624818803.db2.gz GWESJCWUPLVSPN-UHFFFAOYSA-N 1 0 309.381 3.029 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)cc1F ZINC000786815205 624956307 /nfs/dbraw/zinc/95/63/07/624956307.db2.gz BKVPUMGOOTZGOK-INIZCTEOSA-N 1 0 314.404 3.375 20 10 DGCDRO CCOc1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)c(O)c1 ZINC000786826723 624956779 /nfs/dbraw/zinc/95/67/79/624956779.db2.gz IOVRVRWYCSAWNO-UHFFFAOYSA-N 1 0 315.413 3.446 20 10 DGCDRO CC[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccccc1O ZINC000786937939 624965600 /nfs/dbraw/zinc/96/56/00/624965600.db2.gz DBCUQZKOEVCYOP-INIZCTEOSA-N 1 0 308.385 3.214 20 10 DGCDRO CCN1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000787418630 625008630 /nfs/dbraw/zinc/00/86/30/625008630.db2.gz YYRUNBOPWPRFBU-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c(O)c1 ZINC000788509758 625203028 /nfs/dbraw/zinc/20/30/28/625203028.db2.gz ZRPNMYALFTVWBU-IAGOWNOFSA-N 1 0 320.477 3.016 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@]1(C)CCCO1 ZINC000788541037 625212548 /nfs/dbraw/zinc/21/25/48/625212548.db2.gz BDLOFLCMZZAGSM-MAUKXSAKSA-N 1 0 320.502 3.287 20 10 DGCDRO CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000788618445 625229779 /nfs/dbraw/zinc/22/97/79/625229779.db2.gz FWVJJAQTEDPKMD-LZWOXQAQSA-N 1 0 313.825 3.280 20 10 DGCDRO CCOc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1O ZINC000788841227 625279119 /nfs/dbraw/zinc/27/91/19/625279119.db2.gz SXDAXICNUQGUKX-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO CC(C)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)C[NH+]1CCCC1 ZINC000791011667 625737039 /nfs/dbraw/zinc/73/70/39/625737039.db2.gz VMCNYKKYXIZUAM-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000131083458 625942699 /nfs/dbraw/zinc/94/26/99/625942699.db2.gz LXDHGCUZMSQONV-AWEZNQCLSA-N 1 0 318.392 3.448 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@](C)(O)c1ccccc1 ZINC000883157946 625946518 /nfs/dbraw/zinc/94/65/18/625946518.db2.gz PHDVRSFOWDYLNR-DIFFPNOSSA-N 1 0 307.340 3.056 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000131157096 625952807 /nfs/dbraw/zinc/95/28/07/625952807.db2.gz GAPCUKCASZRROJ-QGZVFWFLSA-N 1 0 319.468 3.200 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](COC)[C@H]2CCCOC2)cc1 ZINC000883174442 625953734 /nfs/dbraw/zinc/95/37/34/625953734.db2.gz KUDMHDSYBIXDCS-HKUYNNGSSA-N 1 0 320.477 3.064 20 10 DGCDRO c1ccc(CN2CCc3cc(C[NH2+]C[C@@H]4CCOC4)ccc32)cc1 ZINC000796263366 626033348 /nfs/dbraw/zinc/03/33/48/626033348.db2.gz JHWNKNVVQFYCCB-IBGZPJMESA-N 1 0 322.452 3.375 20 10 DGCDRO CCOCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796266185 626033545 /nfs/dbraw/zinc/03/35/45/626033545.db2.gz NXUMWXRBGQZAJY-UHFFFAOYSA-N 1 0 310.441 3.375 20 10 DGCDRO CC(C)(CCO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796315421 626037935 /nfs/dbraw/zinc/03/79/35/626037935.db2.gz LJTJVMSCRUMTAE-UHFFFAOYSA-N 1 0 324.468 3.500 20 10 DGCDRO CC[C@H](O)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796320550 626038374 /nfs/dbraw/zinc/03/83/74/626038374.db2.gz PODWBXLGXYIJQN-FQEVSTJZSA-N 1 0 324.468 3.500 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)c(O)c1 ZINC000796481521 626054808 /nfs/dbraw/zinc/05/48/08/626054808.db2.gz IAAFTRJZQYVTDW-LIRRHRJNSA-N 1 0 315.413 3.311 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)c1 ZINC000796492873 626056102 /nfs/dbraw/zinc/05/61/02/626056102.db2.gz YUJSNUQILYSAJE-KUHUBIRLSA-N 1 0 315.413 3.311 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)c1O ZINC000796492907 626056282 /nfs/dbraw/zinc/05/62/82/626056282.db2.gz YYXRHVVNSNVMRA-KDOFPFPSSA-N 1 0 315.413 3.311 20 10 DGCDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000796526212 626058867 /nfs/dbraw/zinc/05/88/67/626058867.db2.gz KKCKVNLTPVKSHO-NRFANRHFSA-N 1 0 323.845 3.214 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000797020635 626104918 /nfs/dbraw/zinc/10/49/18/626104918.db2.gz WMFNZMQCOSMQSU-KZULUSFZSA-N 1 0 303.377 3.478 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c(O)c1 ZINC000797134658 626117375 /nfs/dbraw/zinc/11/73/75/626117375.db2.gz VJQXCGUMMNGERB-RCDICMHDSA-N 1 0 317.454 3.430 20 10 DGCDRO CN(CCC[N@H+](C)Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000797972983 626185891 /nfs/dbraw/zinc/18/58/91/626185891.db2.gz JJCFZEURKDIRTI-UHFFFAOYSA-N 1 0 308.422 3.081 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CCC=C(C)C2)c1O ZINC000798090454 626193398 /nfs/dbraw/zinc/19/33/98/626193398.db2.gz MBCAZIZCBNIOSP-UHFFFAOYSA-N 1 0 312.207 3.315 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCCO1 ZINC000799162363 626276919 /nfs/dbraw/zinc/27/69/19/626276919.db2.gz RGTRBTSVLZJHNZ-OAHLLOKOSA-N 1 0 307.434 3.396 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC000799192231 626279583 /nfs/dbraw/zinc/27/95/83/626279583.db2.gz CZCAOKIASPNAPL-ZDUSSCGKSA-N 1 0 314.360 3.118 20 10 DGCDRO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000799717653 626324100 /nfs/dbraw/zinc/32/41/00/626324100.db2.gz IUVTYLOILFMYIH-OAHLLOKOSA-N 1 0 304.393 3.360 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)c1 ZINC000800312822 626351026 /nfs/dbraw/zinc/35/10/26/626351026.db2.gz SOKVSKRYQWELSU-LUAWRHEFSA-N 1 0 324.424 3.010 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cc(C)on3)CC2)cc1 ZINC000800503058 626365136 /nfs/dbraw/zinc/36/51/36/626365136.db2.gz MFXWHEULOJKYED-CQSZACIVSA-N 1 0 315.417 3.311 20 10 DGCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000800896451 626383293 /nfs/dbraw/zinc/38/32/93/626383293.db2.gz JYDXBWPDMWWWBY-QGZVFWFLSA-N 1 0 305.805 3.486 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000801530264 626408080 /nfs/dbraw/zinc/40/80/80/626408080.db2.gz ZVZFEGZICFDGNK-SNVBAGLBSA-N 1 0 320.320 3.299 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC1CCCC1 ZINC000801596565 626411188 /nfs/dbraw/zinc/41/11/88/626411188.db2.gz FTBKXTMPFAFTGK-OAHLLOKOSA-N 1 0 318.461 3.442 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCCCC1 ZINC000801598630 626411677 /nfs/dbraw/zinc/41/16/77/626411677.db2.gz DHIVXQMAWYXCEU-INIZCTEOSA-N 1 0 318.461 3.395 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000801598170 626411915 /nfs/dbraw/zinc/41/19/15/626411915.db2.gz WOONZYLKLBJXSM-GJZGRUSLSA-N 1 0 306.450 3.298 20 10 DGCDRO CCOc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000801732788 626416711 /nfs/dbraw/zinc/41/67/11/626416711.db2.gz WYDJULALHVTQLO-QDMKHBRRSA-N 1 0 307.434 3.474 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2ccns2)ccc1OC ZINC000883242113 626620702 /nfs/dbraw/zinc/62/07/02/626620702.db2.gz VYJLCOAISBJVEF-UHFFFAOYSA-N 1 0 306.431 3.021 20 10 DGCDRO C=C/C=C\CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000883267562 626630341 /nfs/dbraw/zinc/63/03/41/626630341.db2.gz KFIFTNFXPCBDHC-FOSCPCJNSA-N 1 0 304.409 3.445 20 10 DGCDRO CC[C@H](c1ccncc1)[N@H+](CC)Cc1cc2c(cc1O)OCO2 ZINC000131514657 626646788 /nfs/dbraw/zinc/64/67/88/626646788.db2.gz OMLGGDFGZADKTJ-OAHLLOKOSA-N 1 0 314.385 3.489 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(O)ccc2Cl)c1 ZINC000883325080 626647897 /nfs/dbraw/zinc/64/78/97/626647897.db2.gz NUYOFKBZYOYOKZ-UHFFFAOYSA-N 1 0 307.777 3.440 20 10 DGCDRO Oc1ccccc1CNc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883346144 626655137 /nfs/dbraw/zinc/65/51/37/626655137.db2.gz SOCGQKOOCWJBCL-LJQANCHMSA-N 1 0 323.440 3.289 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1 ZINC000883363660 626662338 /nfs/dbraw/zinc/66/23/38/626662338.db2.gz KANDBBKDQHUCEX-AJNOYIKESA-N 1 0 300.446 3.457 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000840110878 626765380 /nfs/dbraw/zinc/76/53/80/626765380.db2.gz VCROUEYJAQTNFZ-HNNXBMFYSA-N 1 0 318.461 3.123 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c(O)c1 ZINC000808444551 626825522 /nfs/dbraw/zinc/82/55/22/626825522.db2.gz IJUDLJLZXOKHTA-FZKQIMNGSA-N 1 0 301.386 3.003 20 10 DGCDRO CC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808673070 626848098 /nfs/dbraw/zinc/84/80/98/626848098.db2.gz WLDIEWFUUUHBAI-LLVKDONJSA-N 1 0 310.825 3.016 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)c1O ZINC000808673018 626848120 /nfs/dbraw/zinc/84/81/20/626848120.db2.gz VTSBSQXPGFMNMB-NSHDSACASA-N 1 0 318.804 3.304 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)c1O ZINC000808674007 626848359 /nfs/dbraw/zinc/84/83/59/626848359.db2.gz MGANXQHQHDIYON-NHYWBVRUSA-N 1 0 318.804 3.231 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000808684429 626849350 /nfs/dbraw/zinc/84/93/50/626849350.db2.gz NVOXLMUEQPEZSH-QWRGUYRKSA-N 1 0 312.841 3.308 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1O ZINC000808702132 626850821 /nfs/dbraw/zinc/85/08/21/626850821.db2.gz SGUGSJUTNZIMRS-GXTWGEPZSA-N 1 0 313.825 3.200 20 10 DGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808702201 626850871 /nfs/dbraw/zinc/85/08/71/626850871.db2.gz CPPIMRDUHSCWAZ-DGCLKSJQSA-N 1 0 310.825 3.016 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)[C@H]1CCCO1 ZINC000808715494 626853219 /nfs/dbraw/zinc/85/32/19/626853219.db2.gz GWRHXEQGHZJMGA-TUKIKUTGSA-N 1 0 313.825 3.199 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000808719333 626853731 /nfs/dbraw/zinc/85/37/31/626853731.db2.gz VYRSZQBDOMUZQE-BIBXISHDSA-N 1 0 315.866 3.306 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)c1ccccc1O ZINC000808724512 626854552 /nfs/dbraw/zinc/85/45/52/626854552.db2.gz WKRRTXGSWFMMPM-LAVFITLUSA-N 1 0 316.445 3.080 20 10 DGCDRO COc1cc(C)cc(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1O ZINC000840143720 626857868 /nfs/dbraw/zinc/85/78/68/626857868.db2.gz XGMYWQQADWRJCG-CVEARBPZSA-N 1 0 305.418 3.099 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(O)c(C(C)(C)C)c1 ZINC000840167759 626901463 /nfs/dbraw/zinc/90/14/63/626901463.db2.gz CVZCIGPSEACRLH-JSGCOSHPSA-N 1 0 307.459 3.388 20 10 DGCDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809607251 626925461 /nfs/dbraw/zinc/92/54/61/626925461.db2.gz UIHSAMOEEQQZFM-HNNXBMFYSA-N 1 0 308.441 3.434 20 10 DGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000809692894 626937397 /nfs/dbraw/zinc/93/73/97/626937397.db2.gz IZUDFVZEKHWBFI-OKILXGFUSA-N 1 0 316.367 3.381 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CSC[C@H]2C)c1O ZINC000809702280 626938445 /nfs/dbraw/zinc/93/84/45/626938445.db2.gz FBYIFFQQPQROMP-SKDRFNHKSA-N 1 0 316.264 3.304 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCOc3ccc(C)cc3C2)c1O ZINC000809703049 626938467 /nfs/dbraw/zinc/93/84/67/626938467.db2.gz CNIPPWRRGIINOY-UHFFFAOYSA-N 1 0 313.397 3.494 20 10 DGCDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809701402 626938712 /nfs/dbraw/zinc/93/87/12/626938712.db2.gz XMGSSYZFWYQRKE-HOCLYGCPSA-N 1 0 308.441 3.407 20 10 DGCDRO C[N@H+](CCC(N)=O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000809713000 626940129 /nfs/dbraw/zinc/94/01/29/626940129.db2.gz BUTMFJGNWLYBJO-UHFFFAOYSA-N 1 0 320.477 3.294 20 10 DGCDRO Cc1cccc(C[NH2+]Cc2cc(Br)ccc2O)c1O ZINC000809712461 626940153 /nfs/dbraw/zinc/94/01/53/626940153.db2.gz NOIRUNKZGZSIOJ-UHFFFAOYSA-N 1 0 322.202 3.459 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000809732720 626942888 /nfs/dbraw/zinc/94/28/88/626942888.db2.gz ISOBIXGBUSSFAQ-UHFFFAOYSA-N 1 0 305.761 3.122 20 10 DGCDRO Cc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000809736005 626943490 /nfs/dbraw/zinc/94/34/90/626943490.db2.gz CDRMCRDDNRGBQN-UHFFFAOYSA-N 1 0 316.420 3.404 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(F)cc3cccnc32)c1O ZINC000809740275 626944617 /nfs/dbraw/zinc/94/46/17/626944617.db2.gz RVNPNXJMTQKAHO-UHFFFAOYSA-N 1 0 312.344 3.378 20 10 DGCDRO COCCC[N@H+](Cc1ccncc1)Cc1cc(Cl)ccc1O ZINC000809740478 626945010 /nfs/dbraw/zinc/94/50/10/626945010.db2.gz AFCSLHWTLXZKQH-UHFFFAOYSA-N 1 0 320.820 3.479 20 10 DGCDRO Cc1cccc(CN(CC[NH+](C)C)Cc2cccs2)c1O ZINC000809745569 626945606 /nfs/dbraw/zinc/94/56/06/626945606.db2.gz BRHFANCOCGEPRA-UHFFFAOYSA-N 1 0 304.459 3.326 20 10 DGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000809792760 626954478 /nfs/dbraw/zinc/95/44/78/626954478.db2.gz FXNUPEGWJPTBGH-LBPRGKRZSA-N 1 0 314.857 3.264 20 10 DGCDRO CCOc1cccc(C[NH2+]CC2(COC)CCCCC2)c1O ZINC000810177602 626984288 /nfs/dbraw/zinc/98/42/88/626984288.db2.gz ILXPGWHSRPQTGH-UHFFFAOYSA-N 1 0 307.434 3.477 20 10 DGCDRO COCC[C@H](COC)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000810173619 626984404 /nfs/dbraw/zinc/98/44/04/626984404.db2.gz GTCGUCSFKAMLOK-GOSISDBHSA-N 1 0 315.413 3.200 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810212412 626988293 /nfs/dbraw/zinc/98/82/93/626988293.db2.gz ARLVHNAXJOOXBY-CYBMUJFWSA-N 1 0 313.323 3.385 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ncccc2N(C)C)c2c1c(F)ccc2O ZINC000810248897 626992731 /nfs/dbraw/zinc/99/27/31/626992731.db2.gz IIBLLMRYDCJUGO-WCQYABFASA-N 1 0 315.392 3.330 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1O ZINC000810252777 626993306 /nfs/dbraw/zinc/99/33/06/626993306.db2.gz JAGDGZACBXOBJP-ZYHUDNBSSA-N 1 0 305.809 3.285 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3c(C)cccc3C2)c1 ZINC000810259604 626993909 /nfs/dbraw/zinc/99/39/09/626993909.db2.gz NFOJSVDPCHHIOD-HIFRSBDPSA-N 1 0 313.397 3.364 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000135909769 627012305 /nfs/dbraw/zinc/01/23/05/627012305.db2.gz DKWJSAFSEYYLCN-NRFANRHFSA-N 1 0 324.468 3.456 20 10 DGCDRO COC(=O)c1cnc(SC[C@H]2CCCC[N@@H+]2C(C)C)s1 ZINC000840209763 627046772 /nfs/dbraw/zinc/04/67/72/627046772.db2.gz BIGOZQICMYYBPS-LLVKDONJSA-N 1 0 314.476 3.285 20 10 DGCDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000136825235 627103727 /nfs/dbraw/zinc/10/37/27/627103727.db2.gz KXVHPJKKOAEFOO-AEFFLSMTSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000886109698 627106883 /nfs/dbraw/zinc/10/68/83/627106883.db2.gz QDUYWWASFVDTOZ-HIFRSBDPSA-N 1 0 305.418 3.401 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cc1C ZINC000886338255 627139708 /nfs/dbraw/zinc/13/97/08/627139708.db2.gz IXRFSYWWYUQZMS-IIHSZXCVSA-N 1 0 319.445 3.071 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOC2(CCC2)C1 ZINC000886344301 627140767 /nfs/dbraw/zinc/14/07/67/627140767.db2.gz BIHRMEBGRGDTBS-GOSISDBHSA-N 1 0 301.430 3.451 20 10 DGCDRO COc1ccc(C[NH2+]C2(C3CC3)CCC2)cc1Cn1cccn1 ZINC000886389686 627145825 /nfs/dbraw/zinc/14/58/25/627145825.db2.gz TYZAZYCGARSWSE-UHFFFAOYSA-N 1 0 311.429 3.362 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2F)c(O)c1C ZINC000886675071 627186925 /nfs/dbraw/zinc/18/69/25/627186925.db2.gz WMBUCOMXHXDQRQ-HOCLYGCPSA-N 1 0 317.404 3.402 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccc(F)cc2)c(O)c1 ZINC000886676516 627187388 /nfs/dbraw/zinc/18/73/88/627187388.db2.gz IIHJHHFQNVBIJL-XJKSGUPXSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1 ZINC000886677247 627188021 /nfs/dbraw/zinc/18/80/21/627188021.db2.gz UKLHKIRTJPOJMF-CZUORRHYSA-N 1 0 303.377 3.094 20 10 DGCDRO CC[C@H]([NH2+][C@H](COC)[C@H]1CCCOC1)c1ccc(C)cc1O ZINC000886788445 627204559 /nfs/dbraw/zinc/20/45/59/627204559.db2.gz BXNUJJSKMFJGCF-BHYGNILZSA-N 1 0 307.434 3.183 20 10 DGCDRO CSC1(CN(C)c2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000811489238 627280696 /nfs/dbraw/zinc/28/06/96/627280696.db2.gz BALSNPSQSAUWED-UHFFFAOYSA-N 1 0 308.491 3.349 20 10 DGCDRO CC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCOC1 ZINC000812296243 627367919 /nfs/dbraw/zinc/36/79/19/627367919.db2.gz NYYPSTAINYSDBX-CQSZACIVSA-N 1 0 301.386 3.165 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1C ZINC000813856164 627516100 /nfs/dbraw/zinc/51/61/00/627516100.db2.gz XYCJGIJFIOIYPC-CLCXKQKWSA-N 1 0 302.462 3.029 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccccc1O ZINC000813881033 627518328 /nfs/dbraw/zinc/51/83/28/627518328.db2.gz KSQLMBURHLVHIG-QGZVFWFLSA-N 1 0 322.408 3.485 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)c1 ZINC000813881867 627518839 /nfs/dbraw/zinc/51/88/39/627518839.db2.gz WPHGQQXLECNRQR-CQSZACIVSA-N 1 0 322.408 3.403 20 10 DGCDRO CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000814172897 627546365 /nfs/dbraw/zinc/54/63/65/627546365.db2.gz CUFPUAUJNNVWDJ-HKUYNNGSSA-N 1 0 308.425 3.195 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC000814299363 627557345 /nfs/dbraw/zinc/55/73/45/627557345.db2.gz DXPPPGNHUFDSJL-KRWDZBQOSA-N 1 0 321.804 3.268 20 10 DGCDRO Cc1cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)ccc1N(C)C ZINC000815013047 627617121 /nfs/dbraw/zinc/61/71/21/627617121.db2.gz PILZWSUDCGRRFU-UHFFFAOYSA-N 1 0 312.413 3.422 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815075466 627622837 /nfs/dbraw/zinc/62/28/37/627622837.db2.gz BNJUAYWCSXMSIQ-VQIMIIECSA-N 1 0 318.461 3.273 20 10 DGCDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815073809 627623071 /nfs/dbraw/zinc/62/30/71/627623071.db2.gz AUTUKFUDXKWQNC-UHFFFAOYSA-N 1 0 300.450 3.088 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)ccc1N(C)C ZINC000815092974 627625471 /nfs/dbraw/zinc/62/54/71/627625471.db2.gz YFQYOMCNIGPZMP-MRXNPFEDSA-N 1 0 302.462 3.452 20 10 DGCDRO Cc1ccncc1N1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815108411 627627887 /nfs/dbraw/zinc/62/78/87/627627887.db2.gz WCIQXQXFPPYPBG-UHFFFAOYSA-N 1 0 324.472 3.087 20 10 DGCDRO CCN(C)c1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000815117414 627628952 /nfs/dbraw/zinc/62/89/52/627628952.db2.gz MDEIFLGRGXIFKK-APWZRJJASA-N 1 0 301.478 3.201 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]CC[C@@H](C)F)c1O ZINC000815148987 627637625 /nfs/dbraw/zinc/63/76/25/627637625.db2.gz SZEUYHDCHHJCIH-MRVPVSSYSA-N 1 0 306.175 3.001 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1(Cl)CC1 ZINC000924709502 627671488 /nfs/dbraw/zinc/67/14/88/627671488.db2.gz XAUWRUWEGOLKBM-CYBMUJFWSA-N 1 0 310.894 3.489 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c(O)c1 ZINC000815557746 627684753 /nfs/dbraw/zinc/68/47/53/627684753.db2.gz CQPSNYUEYSNGSM-CJNGLKHVSA-N 1 0 311.429 3.316 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@]3(C)CCCO3)CC2)cc1 ZINC000815573254 627686258 /nfs/dbraw/zinc/68/62/58/627686258.db2.gz DGKNVPDKLBXRQQ-HNAYVOBHSA-N 1 0 318.461 3.211 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c(O)c1 ZINC000815598641 627689650 /nfs/dbraw/zinc/68/96/50/627689650.db2.gz ZDEYYNTZNNDXAT-QRWLVFNGSA-N 1 0 311.425 3.494 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])ncn1 ZINC000815599548 627689949 /nfs/dbraw/zinc/68/99/49/627689949.db2.gz VRWKQVMJXBJVLB-SNVBAGLBSA-N 1 0 311.307 3.360 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000815632417 627693005 /nfs/dbraw/zinc/69/30/05/627693005.db2.gz MPMBSQPCWZTYFU-CVEARBPZSA-N 1 0 319.493 3.346 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815632895 627693061 /nfs/dbraw/zinc/69/30/61/627693061.db2.gz AYVKFNURSSGYLG-OUCADQQQSA-N 1 0 322.424 3.222 20 10 DGCDRO C[C@@H](c1cc(F)ccc1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925755474 627789260 /nfs/dbraw/zinc/78/92/60/627789260.db2.gz WGNIYNHDFGONMR-NSHDSACASA-N 1 0 302.349 3.069 20 10 DGCDRO CCc1nocc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000816481524 627795441 /nfs/dbraw/zinc/79/54/41/627795441.db2.gz ZHASOTHXVWMZSO-INIZCTEOSA-N 1 0 316.401 3.124 20 10 DGCDRO Oc1c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)ccc2ccccc21 ZINC000816514980 627800427 /nfs/dbraw/zinc/80/04/27/627800427.db2.gz LYIRSSZSUQYCBW-HNNXBMFYSA-N 1 0 311.303 3.045 20 10 DGCDRO Oc1c(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)ccc2ccccc21 ZINC000816544701 627805196 /nfs/dbraw/zinc/80/51/96/627805196.db2.gz QANKVJAASTXKPE-AWEZNQCLSA-N 1 0 324.346 3.272 20 10 DGCDRO Oc1c(C[NH2+]C[C@@H](O)Cc2ccccc2)ccc2ccccc21 ZINC000816547984 627805682 /nfs/dbraw/zinc/80/56/82/627805682.db2.gz QEGVWSKVHVNKCW-SFHVURJKSA-N 1 0 307.393 3.239 20 10 DGCDRO C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816554812 627806584 /nfs/dbraw/zinc/80/65/84/627806584.db2.gz JRVSQAMWKUHYON-NWDGAFQWSA-N 1 0 300.805 3.147 20 10 DGCDRO Oc1c(C[NH+]2CCC(Cn3cncn3)CC2)ccc2ccccc21 ZINC000816574705 627810290 /nfs/dbraw/zinc/81/02/90/627810290.db2.gz PSHRLHAACZCSEI-UHFFFAOYSA-N 1 0 322.412 3.049 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000925879466 627811176 /nfs/dbraw/zinc/81/11/76/627811176.db2.gz FIBKHJKHIWEJPE-BBBLOLIVSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594943 627812784 /nfs/dbraw/zinc/81/27/84/627812784.db2.gz UDHVTCIPOQMTHF-JQWIXIFHSA-N 1 0 301.789 3.310 20 10 DGCDRO CN(C)c1ccc(CN2CC[N@H+](C)Cc3ccccc32)cc1F ZINC000816618349 627815221 /nfs/dbraw/zinc/81/52/21/627815221.db2.gz VNXWVSRCVRAVPS-UHFFFAOYSA-N 1 0 313.420 3.344 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000816647870 627820358 /nfs/dbraw/zinc/82/03/58/627820358.db2.gz ZHCALMXNIDPVJY-KBPBESRZSA-N 1 0 303.406 3.425 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000816662465 627821982 /nfs/dbraw/zinc/82/19/82/627821982.db2.gz PZEAIUNOAXCEEF-GOSISDBHSA-N 1 0 307.434 3.021 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cc1F ZINC000817412341 627896249 /nfs/dbraw/zinc/89/62/49/627896249.db2.gz IYJVKHKKRYYZIH-GDBMZVCRSA-N 1 0 308.441 3.122 20 10 DGCDRO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2O)C1 ZINC000817415179 627896874 /nfs/dbraw/zinc/89/68/74/627896874.db2.gz TZLHNAHMRMEBQV-ZFWWWQNUSA-N 1 0 305.418 3.192 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000817419641 627898111 /nfs/dbraw/zinc/89/81/11/627898111.db2.gz VQKXQLINIAYUAE-LKIHTYOGSA-N 1 0 302.462 3.250 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cccnc3CC2)cc1F ZINC000817575617 627922776 /nfs/dbraw/zinc/92/27/76/627922776.db2.gz YUMZCEHYHRXPLP-INIZCTEOSA-N 1 0 313.420 3.324 20 10 DGCDRO CON1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000817587511 627926679 /nfs/dbraw/zinc/92/66/79/627926679.db2.gz GEDQHTOZMFFTPC-ZDUSSCGKSA-N 1 0 300.402 3.222 20 10 DGCDRO CCCN1C[C@H](C[NH2+][C@H](CC)c2cc(Cl)ccc2O)CC1=O ZINC000817588164 627927246 /nfs/dbraw/zinc/92/72/46/627927246.db2.gz CJQJOYMHHUHWDT-SWLSCSKDSA-N 1 0 324.852 3.345 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1ccc(N(C)C)cc1 ZINC000817587941 627927362 /nfs/dbraw/zinc/92/73/62/627927362.db2.gz KNFMTVANGYKTAD-QAPCUYQASA-N 1 0 320.477 3.377 20 10 DGCDRO COC1([C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCOCC1 ZINC000817587696 627927484 /nfs/dbraw/zinc/92/74/84/627927484.db2.gz HISIRIFOKMWFQI-DYEKYZERSA-N 1 0 323.408 3.253 20 10 DGCDRO COC1([C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CCOCC1 ZINC000817587701 627927581 /nfs/dbraw/zinc/92/75/81/627927581.db2.gz HISIRIFOKMWFQI-SGMGOOAPSA-N 1 0 323.408 3.253 20 10 DGCDRO C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817902525 627957446 /nfs/dbraw/zinc/95/74/46/627957446.db2.gz SKKMUDPIIZVUAM-LPHOPBHVSA-N 1 0 301.478 3.153 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000817921987 627962635 /nfs/dbraw/zinc/96/26/35/627962635.db2.gz MQIVSXZGRXTBKC-QGZVFWFLSA-N 1 0 312.413 3.077 20 10 DGCDRO COc1ccccc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817937984 627966376 /nfs/dbraw/zinc/96/63/76/627966376.db2.gz AWYGRBUSDANTDC-KDOFPFPSSA-N 1 0 313.445 3.112 20 10 DGCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000817939099 627967483 /nfs/dbraw/zinc/96/74/83/627967483.db2.gz YVTNBBNCUWOFDW-UGSOOPFHSA-N 1 0 301.409 3.242 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000817938854 627967719 /nfs/dbraw/zinc/96/77/19/627967719.db2.gz UOKSLRNVTCGJMM-OALUTQOASA-N 1 0 313.420 3.169 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817939032 627967991 /nfs/dbraw/zinc/96/79/91/627967991.db2.gz XZISWMMIWWMLIE-AUUYWEPGSA-N 1 0 313.445 3.112 20 10 DGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnc(Cl)c1 ZINC000817939893 627968030 /nfs/dbraw/zinc/96/80/30/627968030.db2.gz CZZLFMAMADQPMA-MLGOLLRUSA-N 1 0 318.852 3.152 20 10 DGCDRO Cc1cc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)oc1C ZINC000817941879 627968472 /nfs/dbraw/zinc/96/84/72/627968472.db2.gz LHYQUQDMFGWJEB-SUMWQHHRSA-N 1 0 301.434 3.313 20 10 DGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCNC1 ZINC000817942108 627968815 /nfs/dbraw/zinc/96/88/15/627968815.db2.gz WTVRFSKNTMIUPH-MJGOQNOKSA-N 1 0 310.441 3.408 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945654 627970986 /nfs/dbraw/zinc/97/09/86/627970986.db2.gz IVJZLNXFFCYUBO-VHSXEESVSA-N 1 0 303.233 3.349 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000817956236 627974065 /nfs/dbraw/zinc/97/40/65/627974065.db2.gz UODWRXZVRHJBMH-CYBMUJFWSA-N 1 0 309.413 3.047 20 10 DGCDRO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956136 627974217 /nfs/dbraw/zinc/97/42/17/627974217.db2.gz RODPJDXVGGRNIK-LAUBAEHRSA-N 1 0 323.484 3.312 20 10 DGCDRO COC(=O)c1csc([C@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817957411 627974263 /nfs/dbraw/zinc/97/42/63/627974263.db2.gz MBRGWCFFENXPFY-NSHDSACASA-N 1 0 304.415 3.010 20 10 DGCDRO COc1ccc(OC)c([C@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817956339 627974279 /nfs/dbraw/zinc/97/42/79/627974279.db2.gz WQXUPAPQDDTUCX-ZDUSSCGKSA-N 1 0 300.402 3.179 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000817956202 627974307 /nfs/dbraw/zinc/97/43/07/627974307.db2.gz SZDRDFKUSRGBQJ-HNNXBMFYSA-N 1 0 323.440 3.289 20 10 DGCDRO COc1cccc(C[C@H]([NH2+]CCc2ccc(N)cc2)C2CC2)c1 ZINC000817956184 627974318 /nfs/dbraw/zinc/97/43/18/627974318.db2.gz STRGHLJEJRLDRC-FQEVSTJZSA-N 1 0 310.441 3.431 20 10 DGCDRO CC(C)C[C@H](CN)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817957555 627974790 /nfs/dbraw/zinc/97/47/90/627974790.db2.gz CVYPMLZFZYGNAD-CMPLNLGQSA-N 1 0 315.255 3.179 20 10 DGCDRO Nc1ccc(CC[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000817957828 627975099 /nfs/dbraw/zinc/97/50/99/627975099.db2.gz PNVSUHLDAOCHTG-KRWDZBQOSA-N 1 0 300.377 3.454 20 10 DGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000817957830 627975144 /nfs/dbraw/zinc/97/51/44/627975144.db2.gz PNVSUHLDAOCHTG-QGZVFWFLSA-N 1 0 300.377 3.454 20 10 DGCDRO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817964618 627976968 /nfs/dbraw/zinc/97/69/68/627976968.db2.gz FYUBIJKFICDHHT-NSHDSACASA-N 1 0 316.367 3.451 20 10 DGCDRO CC[C@@H]([NH2+]CCc1cc(C)n(C)n1)c1ccc(N(C)C)cc1 ZINC000926913598 627979122 /nfs/dbraw/zinc/97/91/22/627979122.db2.gz CKKWOQHVWXPJRU-GOSISDBHSA-N 1 0 300.450 3.078 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817970894 627979664 /nfs/dbraw/zinc/97/96/64/627979664.db2.gz GVZLGZJOHYTVPK-OUAUKWLOSA-N 1 0 302.340 3.202 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(F)ccc1O ZINC000817973373 627979967 /nfs/dbraw/zinc/97/99/67/627979967.db2.gz DSHGVEVXCYEIFZ-YVEFUNNKSA-N 1 0 300.377 3.069 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000817976167 627981178 /nfs/dbraw/zinc/98/11/78/627981178.db2.gz HODSDBSNEWQVHC-LKFCYVNXSA-N 1 0 315.244 3.492 20 10 DGCDRO C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817977957 627981747 /nfs/dbraw/zinc/98/17/47/627981747.db2.gz RZECQHZIVXWATG-RKDXNWHRSA-N 1 0 319.218 3.072 20 10 DGCDRO C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817977918 627981874 /nfs/dbraw/zinc/98/18/74/627981874.db2.gz RLCBXDOUIJZAGX-CSMHCCOUSA-N 1 0 321.646 3.194 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Cl)c1[O-] ZINC000817987342 627984064 /nfs/dbraw/zinc/98/40/64/627984064.db2.gz SUUWCANCBHPJEL-JFILPPLUSA-N 1 0 308.853 3.474 20 10 DGCDRO C[C@@H]([NH3+])c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000817994002 627984444 /nfs/dbraw/zinc/98/44/44/627984444.db2.gz VVGBFOKPGTXBRZ-CQSZACIVSA-N 1 0 311.429 3.045 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c(O)c1 ZINC000927012066 627996943 /nfs/dbraw/zinc/99/69/43/627996943.db2.gz FLZHCKHKXYEKCA-HOTGVXAUSA-N 1 0 319.445 3.388 20 10 DGCDRO COC(OC)c1ccc(F)c(C[NH2+]Cc2ccccc2O)c1 ZINC000818191013 628002731 /nfs/dbraw/zinc/00/27/31/628002731.db2.gz NOBFSWASGSPQKX-UHFFFAOYSA-N 1 0 305.349 3.113 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000818222881 628006704 /nfs/dbraw/zinc/00/67/04/628006704.db2.gz XNNIDEAFRIRAEM-HUUCEWRRSA-N 1 0 306.475 3.007 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2CC(CC(=O)OC)C2)cc1F ZINC000818330687 628013938 /nfs/dbraw/zinc/01/39/38/628013938.db2.gz BNYZMTBONOQSCA-UHFFFAOYSA-N 1 0 322.424 3.103 20 10 DGCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCSc3nccs3)C[C@H]2C1 ZINC000818333435 628014159 /nfs/dbraw/zinc/01/41/59/628014159.db2.gz WJEKYDPEYOZBMP-COVPZLACSA-N 1 0 312.504 3.419 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)Cc3ccoc3)C2)cc1 ZINC000818341910 628015928 /nfs/dbraw/zinc/01/59/28/628015928.db2.gz IVSVVJJJZQCSGI-NVXWUHKLSA-N 1 0 314.429 3.335 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccoc3)C2)cc1 ZINC000818345794 628016783 /nfs/dbraw/zinc/01/67/83/628016783.db2.gz YCSINUYHZWLZCK-LSDHHAIUSA-N 1 0 300.402 3.465 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nc3c(s2)COCC3)c(O)c1 ZINC000927116758 628019451 /nfs/dbraw/zinc/01/94/51/628019451.db2.gz IUKLORRUXWIBNV-GFCCVEGCSA-N 1 0 318.442 3.389 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c(O)c1 ZINC000927154833 628027605 /nfs/dbraw/zinc/02/76/05/628027605.db2.gz DTKOZWIGSPKSSV-RIFZZMRRSA-N 1 0 311.425 3.444 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000818616051 628043646 /nfs/dbraw/zinc/04/36/46/628043646.db2.gz SVJOUVFLSYWSJL-ZWKOPEQDSA-N 1 0 302.340 3.332 20 10 DGCDRO Cc1ccc([C@@H](O)C[NH2+]CCCSc2nccs2)cc1 ZINC000819064027 628085154 /nfs/dbraw/zinc/08/51/54/628085154.db2.gz SLKZLTSLPVCVJZ-AWEZNQCLSA-N 1 0 308.472 3.257 20 10 DGCDRO O=C(CC[NH2+]CCCSc1nccs1)Nc1ccccc1 ZINC000819063315 628085252 /nfs/dbraw/zinc/08/52/52/628085252.db2.gz KHZSPUGIKNCZMI-UHFFFAOYSA-N 1 0 321.471 3.244 20 10 DGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCCSc1nccs1 ZINC000819064235 628085342 /nfs/dbraw/zinc/08/53/42/628085342.db2.gz UUPDTJMYMHUHJF-DZGCQCFKSA-N 1 0 322.499 3.380 20 10 DGCDRO O[C@@H](C[NH2+]CCCSc1nccs1)CC1CCCC1 ZINC000819064447 628085813 /nfs/dbraw/zinc/08/58/13/628085813.db2.gz YCWHABGRTKWXMH-CYBMUJFWSA-N 1 0 300.493 3.156 20 10 DGCDRO CC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819291195 628128204 /nfs/dbraw/zinc/12/82/04/628128204.db2.gz RAYYDUOFQLCQDL-ZFWWWQNUSA-N 1 0 310.869 3.437 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000819373085 628143506 /nfs/dbraw/zinc/14/35/06/628143506.db2.gz AZELOEUXZWBFLE-UZLBHIALSA-N 1 0 312.457 3.315 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000821392497 628363288 /nfs/dbraw/zinc/36/32/88/628363288.db2.gz ZYNLLCBCRUHMJX-HNNXBMFYSA-N 1 0 318.461 3.109 20 10 DGCDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000822452052 628452614 /nfs/dbraw/zinc/45/26/14/628452614.db2.gz VGRDGRAQWOCTCY-HOTGVXAUSA-N 1 0 308.516 3.223 20 10 DGCDRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000822452051 628452804 /nfs/dbraw/zinc/45/28/04/628452804.db2.gz VGRDGRAQWOCTCY-CVEARBPZSA-N 1 0 308.516 3.223 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c(O)c1 ZINC000822476836 628455874 /nfs/dbraw/zinc/45/58/74/628455874.db2.gz XUVPTOZDDAQEJC-UHFFFAOYSA-N 1 0 323.295 3.012 20 10 DGCDRO Oc1ccc(Br)cc1C[NH+]1CC(CC(F)F)C1 ZINC000822520887 628457646 /nfs/dbraw/zinc/45/76/46/628457646.db2.gz QZFZUPMYESMADL-UHFFFAOYSA-N 1 0 306.150 3.242 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000822494052 628457714 /nfs/dbraw/zinc/45/77/14/628457714.db2.gz FHEYFXIDDMOJGK-OAHLLOKOSA-N 1 0 300.446 3.444 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)cc1F ZINC000822515998 628459858 /nfs/dbraw/zinc/45/98/58/628459858.db2.gz HAEGZBHYEYRBGD-LJQANCHMSA-N 1 0 316.420 3.231 20 10 DGCDRO CC(C)N(Cc1nc(C(F)F)no1)Cc1ccc(N(C)C)cc1 ZINC000822583069 628467330 /nfs/dbraw/zinc/46/73/30/628467330.db2.gz IHNANQKQBNGPNI-UHFFFAOYSA-N 1 0 324.375 3.484 20 10 DGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000824376770 628656344 /nfs/dbraw/zinc/65/63/44/628656344.db2.gz NUOQWSHYYPAAKX-STQMWFEESA-N 1 0 314.223 3.202 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000824643912 628679936 /nfs/dbraw/zinc/67/99/36/628679936.db2.gz LZYMVCFFVSJKSN-KBPBESRZSA-N 1 0 322.449 3.400 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000824691196 628683974 /nfs/dbraw/zinc/68/39/74/628683974.db2.gz XZLLBMDRWZUSDL-OAHLLOKOSA-N 1 0 321.804 3.220 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(O)c1 ZINC000824695986 628684570 /nfs/dbraw/zinc/68/45/70/628684570.db2.gz GAICKJIQYSVATA-KZNAEPCWSA-N 1 0 319.445 3.306 20 10 DGCDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000824702933 628685470 /nfs/dbraw/zinc/68/54/70/628685470.db2.gz UGQFECLFQSYLQH-NSHDSACASA-N 1 0 318.383 3.411 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1O ZINC000824751306 628689546 /nfs/dbraw/zinc/68/95/46/628689546.db2.gz TWQSVQZPGKNOIL-CQSZACIVSA-N 1 0 305.418 3.230 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1OC ZINC000824764768 628690906 /nfs/dbraw/zinc/69/09/06/628690906.db2.gz DFVJKLNPJVGBFA-ZDUSSCGKSA-N 1 0 320.216 3.083 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000824769691 628691383 /nfs/dbraw/zinc/69/13/83/628691383.db2.gz XXRCXJJOJYCTHE-DGCLKSJQSA-N 1 0 323.742 3.242 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1(C)C ZINC000824820974 628697565 /nfs/dbraw/zinc/69/75/65/628697565.db2.gz RVKSDBBPQCIZAS-CYBMUJFWSA-N 1 0 301.789 3.432 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000824846603 628699873 /nfs/dbraw/zinc/69/98/73/628699873.db2.gz UMFCZHGETNGZJU-WMZOPIPTSA-N 1 0 309.450 3.170 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCC)c1O ZINC000824862375 628701284 /nfs/dbraw/zinc/70/12/84/628701284.db2.gz ZCQLPJZKDHYHQR-CABCVRRESA-N 1 0 321.417 3.002 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000824861936 628701345 /nfs/dbraw/zinc/70/13/45/628701345.db2.gz SZRUZTHUPCZLOV-CVEARBPZSA-N 1 0 305.418 3.221 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1C ZINC000825085783 628726245 /nfs/dbraw/zinc/72/62/45/628726245.db2.gz NBRKWKGFBUMSHS-VQIMIIECSA-N 1 0 312.413 3.414 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)[C@H](OC)C2CC2)ccc1OC ZINC000825098208 628727502 /nfs/dbraw/zinc/72/75/02/628727502.db2.gz CVASZTPKWONYPU-UGSOOPFHSA-N 1 0 307.434 3.135 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1OC ZINC000825215319 628738412 /nfs/dbraw/zinc/73/84/12/628738412.db2.gz MFQBPSSKNUOUPN-QGZVFWFLSA-N 1 0 323.458 3.129 20 10 DGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000825265927 628744146 /nfs/dbraw/zinc/74/41/46/628744146.db2.gz GCBFIUPIPZCORJ-IINYFYTJSA-N 1 0 316.239 3.041 20 10 DGCDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(Br)cc1O ZINC000825347401 628752680 /nfs/dbraw/zinc/75/26/80/628752680.db2.gz LECDKQBDACZHKB-QWRGUYRKSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1Cl ZINC000825370058 628754258 /nfs/dbraw/zinc/75/42/58/628754258.db2.gz IMMOKJGYMRWZGV-SFHVURJKSA-N 1 0 317.816 3.278 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c(O)c(C(C)(C)C)c1 ZINC000825501259 628769045 /nfs/dbraw/zinc/76/90/45/628769045.db2.gz NTYFIZWMLYQPSO-INIZCTEOSA-N 1 0 321.461 3.434 20 10 DGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000825773363 628796403 /nfs/dbraw/zinc/79/64/03/628796403.db2.gz FBMXJEHUAPDIGO-JSGCOSHPSA-N 1 0 314.223 3.202 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1Cl ZINC000825900796 628809160 /nfs/dbraw/zinc/80/91/60/628809160.db2.gz RNZLFCJNTSEYCQ-CZUORRHYSA-N 1 0 308.853 3.413 20 10 DGCDRO CCC[C@](C)([NH3+])C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000826019506 628820309 /nfs/dbraw/zinc/82/03/09/628820309.db2.gz HIPLNKNRSRLKOI-SFHVURJKSA-N 1 0 305.466 3.009 20 10 DGCDRO CS[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826048746 628823054 /nfs/dbraw/zinc/82/30/54/628823054.db2.gz LKKVQWDGMWUZIU-NSHDSACASA-N 1 0 302.237 3.092 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(CF)CCOCC2)cc1Cl ZINC000826061844 628824444 /nfs/dbraw/zinc/82/44/44/628824444.db2.gz DQXSQAHGKYZVHE-UHFFFAOYSA-N 1 0 301.789 3.210 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000826130833 628830163 /nfs/dbraw/zinc/83/01/63/628830163.db2.gz MIHNJLWHRZOLOM-ZIAGYGMSSA-N 1 0 321.461 3.149 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]CC3(SC)CCC3)C2)cc1 ZINC000826845061 628894037 /nfs/dbraw/zinc/89/40/37/628894037.db2.gz DDDBTPMVXGOVFG-CQSZACIVSA-N 1 0 306.475 3.149 20 10 DGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000826867919 628897290 /nfs/dbraw/zinc/89/72/90/628897290.db2.gz NFSWFBCTJGEBPZ-AWEZNQCLSA-N 1 0 313.825 3.349 20 10 DGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000826867920 628897411 /nfs/dbraw/zinc/89/74/11/628897411.db2.gz NFSWFBCTJGEBPZ-CQSZACIVSA-N 1 0 313.825 3.349 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cccc(C)c1O)c1cccc(OC)c1 ZINC000827011676 628912650 /nfs/dbraw/zinc/91/26/50/628912650.db2.gz LIIIJNINRBXCGT-QGZVFWFLSA-N 1 0 301.386 3.187 20 10 DGCDRO FCC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827270811 628943665 /nfs/dbraw/zinc/94/36/65/628943665.db2.gz GNTCCDCFIZWQBJ-MRXNPFEDSA-N 1 0 306.425 3.095 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000827377065 628954041 /nfs/dbraw/zinc/95/40/41/628954041.db2.gz OOTWAYUAZDXYFA-RHSMWYFYSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1cc(C[N@H+](CCO)CC2CC2)ccc1N1CCCCC1 ZINC000827492818 628963766 /nfs/dbraw/zinc/96/37/66/628963766.db2.gz ZUCHXQKMLWJNNR-UHFFFAOYSA-N 1 0 302.462 3.190 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000827555425 628970153 /nfs/dbraw/zinc/97/01/53/628970153.db2.gz TYURQYSSRKQCFX-LBPRGKRZSA-N 1 0 324.852 3.091 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000827596673 628975606 /nfs/dbraw/zinc/97/56/06/628975606.db2.gz ZHCQBRWTZRXCRJ-ROUUACIJSA-N 1 0 300.446 3.145 20 10 DGCDRO Cc1cc(C(=O)C[N@H+]2CC[C@@H](C)C2)c(C)n1-c1ccc(F)cn1 ZINC000827634929 628978560 /nfs/dbraw/zinc/97/85/60/628978560.db2.gz GPBJCDZRBZUPOG-GFCCVEGCSA-N 1 0 315.392 3.153 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000827648962 628979828 /nfs/dbraw/zinc/97/98/28/628979828.db2.gz FSGXYDJDIIONGA-UHFFFAOYSA-N 1 0 312.404 3.091 20 10 DGCDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1O ZINC000827678741 628982372 /nfs/dbraw/zinc/98/23/72/628982372.db2.gz GFLFGQCRZVYKGZ-CYBMUJFWSA-N 1 0 324.852 3.091 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c(Cl)c1 ZINC000827687139 628983120 /nfs/dbraw/zinc/98/31/20/628983120.db2.gz LJFYYXXVBJPECX-ZDUSSCGKSA-N 1 0 324.852 3.091 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(CC)c1O ZINC000827751518 628988484 /nfs/dbraw/zinc/98/84/84/628988484.db2.gz VVXSSGNSPDTBNW-YJBOKZPZSA-N 1 0 305.418 3.166 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)c1C ZINC000827780040 628990673 /nfs/dbraw/zinc/99/06/73/628990673.db2.gz QZZUAHUYTQXNNU-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCC(=O)CC(C)C)CC2)cc1 ZINC000827802566 628992723 /nfs/dbraw/zinc/99/27/23/628992723.db2.gz HMDFAHYCKQZOPX-UHFFFAOYSA-N 1 0 318.461 3.213 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@@H]2CCOC2)ccc1N1CCCCC1 ZINC000827990045 629011867 /nfs/dbraw/zinc/01/18/67/629011867.db2.gz AXLGBYFMQMKGJI-SFHVURJKSA-N 1 0 302.462 3.454 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c(O)c1 ZINC000828087595 629022070 /nfs/dbraw/zinc/02/20/70/629022070.db2.gz KXTDEWMNMXIYTK-QGZVFWFLSA-N 1 0 307.434 3.428 20 10 DGCDRO C[C@@H](c1ccccc1)[N@H+](CC[S@](C)=O)Cc1ccccc1O ZINC000828564198 629068314 /nfs/dbraw/zinc/06/83/14/629068314.db2.gz NNOQTXXVHWDKCI-NYHFZMIOSA-N 1 0 317.454 3.334 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](CCO)c2ccccc2F)cc1 ZINC000830355045 629257001 /nfs/dbraw/zinc/25/70/01/629257001.db2.gz CLJNWQJQFNHASM-GOSISDBHSA-N 1 0 302.393 3.105 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000831165802 629345423 /nfs/dbraw/zinc/34/54/23/629345423.db2.gz NCFKTAATLTVXCS-IPMKNSEASA-N 1 0 302.462 3.268 20 10 DGCDRO C[C@@H]1CCC[C@@H](CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832278450 629458303 /nfs/dbraw/zinc/45/83/03/629458303.db2.gz CFSPTFWGOMJOQW-RKVPGOIHSA-N 1 0 317.477 3.085 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)CC[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000834452386 629712956 /nfs/dbraw/zinc/71/29/56/629712956.db2.gz HSGOOQUMMWQKHS-LLVKDONJSA-N 1 0 319.836 3.215 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1N1CCOCC1)CC2 ZINC000834541567 629724067 /nfs/dbraw/zinc/72/40/67/629724067.db2.gz YWPDZBIDCCJGMV-QGZVFWFLSA-N 1 0 324.424 3.006 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@]1(O)CCCc3ccccc31)CC2 ZINC000834576158 629732463 /nfs/dbraw/zinc/73/24/63/629732463.db2.gz TUXFIKGISOMZGX-PXNSSMCTSA-N 1 0 309.409 3.193 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cn(-c2ccccc2)nn1 ZINC000834680733 629755580 /nfs/dbraw/zinc/75/55/80/629755580.db2.gz HMVGJVAPWBYSMZ-XJKSGUPXSA-N 1 0 320.396 3.311 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@@H]1COc3ccccc3O1)CC2 ZINC000834685511 629757124 /nfs/dbraw/zinc/75/71/24/629757124.db2.gz YNXJNBFIANJURI-CABCVRRESA-N 1 0 311.381 3.199 20 10 DGCDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)c2ccccc21 ZINC000834692673 629759006 /nfs/dbraw/zinc/75/90/06/629759006.db2.gz GVEYPYHUVFAAHH-SJORKVTESA-N 1 0 322.408 3.467 20 10 DGCDRO CC1CCC2(CC1)OC[C@@H](C[NH2+][C@@H]1CCc3cccc(O)c31)O2 ZINC000834736931 629769601 /nfs/dbraw/zinc/76/96/01/629769601.db2.gz BSJXPDJKGZDKBZ-BYGOXVSRSA-N 1 0 317.429 3.291 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834845002 629789211 /nfs/dbraw/zinc/78/92/11/629789211.db2.gz XLBRABQVVSWGOR-VXGBXAGGSA-N 1 0 303.324 3.327 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000834860946 629792779 /nfs/dbraw/zinc/79/27/79/629792779.db2.gz VYYFDTKWRUIDME-MRXNPFEDSA-N 1 0 311.429 3.077 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CC)c1cc(Cl)ccc1O)[C@@H](O)C(F)F ZINC000834875951 629795252 /nfs/dbraw/zinc/79/52/52/629795252.db2.gz WDGYEXUAPZTVET-DMDPSCGWSA-N 1 0 307.768 3.491 20 10 DGCDRO C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccc(Br)cc1O ZINC000834905660 629804782 /nfs/dbraw/zinc/80/47/82/629804782.db2.gz VHNIPEKUXCIIJQ-ZANVPECISA-N 1 0 314.223 3.230 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c(O)c1 ZINC000834910954 629806899 /nfs/dbraw/zinc/80/68/99/629806899.db2.gz HADDUTGDVOWPSY-GRDNDAEWSA-N 1 0 315.417 3.005 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000834914549 629807677 /nfs/dbraw/zinc/80/76/77/629807677.db2.gz NPSBBVOZUPXANK-CORIIIEPSA-N 1 0 322.836 3.158 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(Br)cc1O ZINC000834915706 629808338 /nfs/dbraw/zinc/80/83/38/629808338.db2.gz SAKSKZRZLNNRLQ-SCVCMEIPSA-N 1 0 314.223 3.373 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000835028786 629829313 /nfs/dbraw/zinc/82/93/13/629829313.db2.gz SHFPVUGEKRYWMS-UABKOXTMSA-N 1 0 310.445 3.299 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000835029837 629829783 /nfs/dbraw/zinc/82/97/83/629829783.db2.gz SXJHTZKMTOTFSC-YAQIIAKESA-N 1 0 322.452 3.358 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000835035028 629830282 /nfs/dbraw/zinc/83/02/82/629830282.db2.gz GDJUDMSQIYPLAD-ARJAWSKDSA-N 1 0 316.445 3.041 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCOCC(F)(F)F)cc1 ZINC000835034741 629830531 /nfs/dbraw/zinc/83/05/31/629830531.db2.gz AWLCZOBJGVDJLI-HYXAFXHYSA-N 1 0 316.367 3.324 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@](C)(CO)c2ccccc2)cc1 ZINC000835039082 629830947 /nfs/dbraw/zinc/83/09/47/629830947.db2.gz GDWXKFGZLBORAT-DUIUGDAFSA-N 1 0 310.441 3.263 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@](C)(O)c2cccs2)cc1 ZINC000835039477 629832222 /nfs/dbraw/zinc/83/22/22/629832222.db2.gz FHYWNRKMQUNMKX-MJICGBHWSA-N 1 0 316.470 3.325 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CO)C2CCCCC2)cc1 ZINC000835041364 629832427 /nfs/dbraw/zinc/83/24/27/629832427.db2.gz BRDXRYUOOBGVJV-RURPWVQCSA-N 1 0 302.462 3.297 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2cn3ccccc3n2)cc1 ZINC000835043068 629832598 /nfs/dbraw/zinc/83/25/98/629832598.db2.gz OXWQSZJCUSHZJK-AATRIKPKSA-N 1 0 320.440 3.246 20 10 DGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041780 629832607 /nfs/dbraw/zinc/83/26/07/629832607.db2.gz NSGNQAIDIDDTSX-DVBCCOPCSA-N 1 0 304.478 3.399 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000835042315 629833022 /nfs/dbraw/zinc/83/30/22/629833022.db2.gz SNXMADHFDIIQPX-RMUOZIPVSA-N 1 0 322.452 3.189 20 10 DGCDRO CC(C)[C@H]1C[N@H+](C)CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835045564 629834451 /nfs/dbraw/zinc/83/44/51/629834451.db2.gz WKDMWQGBZXBQDL-LIXSYLKWSA-N 1 0 301.478 3.038 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000835048023 629835780 /nfs/dbraw/zinc/83/57/80/629835780.db2.gz DRHDQWLSVNRUGL-JXTAAOLFSA-N 1 0 324.472 3.379 20 10 DGCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835051812 629837237 /nfs/dbraw/zinc/83/72/37/629837237.db2.gz JYSGVXIFFVVARW-FQEKARNZSA-N 1 0 302.462 3.391 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@H](CO)c2ccccc2)cc1 ZINC000835053454 629837346 /nfs/dbraw/zinc/83/73/46/629837346.db2.gz COWRAVANZPVKHC-AQKVLALTSA-N 1 0 310.441 3.431 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CCO)Cc2ccccc2)cc1 ZINC000835052634 629837663 /nfs/dbraw/zinc/83/76/63/629837663.db2.gz POMASNLZMWJQDP-QKWWCAPFSA-N 1 0 324.468 3.349 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c1 ZINC000835071391 629843364 /nfs/dbraw/zinc/84/33/64/629843364.db2.gz YBRYMYKGXNVIGO-SFHVURJKSA-N 1 0 305.418 3.254 20 10 DGCDRO COc1cccc(CNC(=O)Nc2c(C)cc(C)nc2C)c1O ZINC000836627774 630143311 /nfs/dbraw/zinc/14/33/11/630143311.db2.gz ACNWSWHNVYMTOO-UHFFFAOYSA-N 1 0 315.373 3.043 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000840761216 630356569 /nfs/dbraw/zinc/35/65/69/630356569.db2.gz UBOBNSKSGVRSBP-KRWDZBQOSA-N 1 0 324.415 3.326 20 10 DGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000840847003 630366179 /nfs/dbraw/zinc/36/61/79/630366179.db2.gz JJPPOABPCZEPQH-ONUMYQOESA-N 1 0 301.361 3.494 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1 ZINC000840846510 630366401 /nfs/dbraw/zinc/36/64/01/630366401.db2.gz IBOZGKJAUOAINC-LLSQANQASA-N 1 0 313.397 3.364 20 10 DGCDRO Cc1cc(O)c(CNC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000840879849 630371015 /nfs/dbraw/zinc/37/10/15/630371015.db2.gz ICNVPKAXWXXCPM-UHFFFAOYSA-N 1 0 308.853 3.318 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H]3CC3(F)F)CC2)cc1 ZINC000840879177 630371211 /nfs/dbraw/zinc/37/12/11/630371211.db2.gz LIOQALOSDZISEA-WBMJQRKESA-N 1 0 310.388 3.297 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccccc1O ZINC000840881064 630371727 /nfs/dbraw/zinc/37/17/27/630371727.db2.gz NLUJEESTJQLWQZ-WMLDXEAASA-N 1 0 303.377 3.348 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cc2c(cc1O)CCCC2 ZINC000840895422 630374390 /nfs/dbraw/zinc/37/43/90/630374390.db2.gz LRNBEAAHXAZSIL-VBQJREDUSA-N 1 0 303.446 3.473 20 10 DGCDRO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000840908240 630375641 /nfs/dbraw/zinc/37/56/41/630375641.db2.gz QTAZXUARQFWQIA-UHFFFAOYSA-N 1 0 310.445 3.407 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000840915162 630377548 /nfs/dbraw/zinc/37/75/48/630377548.db2.gz LSZBFWFFKSZUPW-FQEVSTJZSA-N 1 0 310.441 3.153 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000840918412 630377867 /nfs/dbraw/zinc/37/78/67/630377867.db2.gz GKMSMHFHGBPZOP-SFHVURJKSA-N 1 0 312.461 3.304 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000840920811 630378784 /nfs/dbraw/zinc/37/87/84/630378784.db2.gz JYWIZTZWFKFXNW-QZTJIDSGSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000840933439 630379945 /nfs/dbraw/zinc/37/99/45/630379945.db2.gz FQCPVCNIPWFMKT-UHFFFAOYSA-N 1 0 311.429 3.179 20 10 DGCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc(N(C)C)cc2C)c(C)o1 ZINC000840933649 630380022 /nfs/dbraw/zinc/38/00/22/630380022.db2.gz IYKCVFNNINZVMC-IBGZPJMESA-N 1 0 316.445 3.268 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(Cl)c1 ZINC000840937268 630380550 /nfs/dbraw/zinc/38/05/50/630380550.db2.gz RFDDOBMOEXUPPX-UHFFFAOYSA-N 1 0 323.742 3.243 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3nccn3C)C2)c(Cl)c1 ZINC000840940932 630381507 /nfs/dbraw/zinc/38/15/07/630381507.db2.gz NUNBQKYRDVURKR-ZDUSSCGKSA-N 1 0 319.836 3.467 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000840942493 630382038 /nfs/dbraw/zinc/38/20/38/630382038.db2.gz WADHWEXGKLYERK-IBGZPJMESA-N 1 0 312.457 3.144 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000840946584 630382393 /nfs/dbraw/zinc/38/23/93/630382393.db2.gz SFHULAKCPOXEOA-QFBILLFUSA-N 1 0 301.478 3.120 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000840948681 630382798 /nfs/dbraw/zinc/38/27/98/630382798.db2.gz XWFMUCCXFUUPIK-QFBILLFUSA-N 1 0 301.478 3.120 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c(Cl)c1 ZINC000840949430 630383630 /nfs/dbraw/zinc/38/36/30/630383630.db2.gz VZDHRENCMBZFRQ-AWEZNQCLSA-N 1 0 323.795 3.186 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1O ZINC000840956059 630384344 /nfs/dbraw/zinc/38/43/44/630384344.db2.gz IMJHWMYZHVAATI-APWZRJJASA-N 1 0 313.397 3.193 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c(Cl)c1 ZINC000840963204 630387319 /nfs/dbraw/zinc/38/73/19/630387319.db2.gz MGVZKPAZPYXRBS-ZDUSSCGKSA-N 1 0 323.795 3.359 20 10 DGCDRO OC[C@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000840961459 630387398 /nfs/dbraw/zinc/38/73/98/630387398.db2.gz BFRFRBUHNBRJAW-ZDUSSCGKSA-N 1 0 309.768 3.050 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1F ZINC000840977464 630390051 /nfs/dbraw/zinc/39/00/51/630390051.db2.gz IEFPOZPWLDLNRH-HOTGVXAUSA-N 1 0 308.441 3.313 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)c2cccnc2)cc1F ZINC000840975803 630390248 /nfs/dbraw/zinc/39/02/48/630390248.db2.gz RFQZCAZKTJVKFP-UHFFFAOYSA-N 1 0 301.409 3.354 20 10 DGCDRO Nc1ccc(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000841036844 630399951 /nfs/dbraw/zinc/39/99/51/630399951.db2.gz PUOBUJZBNURLDM-UHFFFAOYSA-N 1 0 318.804 3.026 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc3cccnc32)cc1 ZINC000841041537 630400387 /nfs/dbraw/zinc/40/03/87/630400387.db2.gz DAMDGMGRGGMZCX-IBGZPJMESA-N 1 0 320.440 3.090 20 10 DGCDRO [NH3+]C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCCCC1 ZINC000841039145 630400505 /nfs/dbraw/zinc/40/05/05/630400505.db2.gz CFJJRAKDAQFYNX-UHFFFAOYSA-N 1 0 303.233 3.450 20 10 DGCDRO CC[NH2+]Cc1ccccc1NCc1cc(OC)c(OC)cc1O ZINC000841042406 630401078 /nfs/dbraw/zinc/40/10/78/630401078.db2.gz GVMXDSLOJKZUGC-UHFFFAOYSA-N 1 0 316.401 3.131 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(Cl)s2)cc1 ZINC000841044333 630401111 /nfs/dbraw/zinc/40/11/11/630401111.db2.gz WDUWMBLBHLOXLT-AWEZNQCLSA-N 1 0 309.866 3.257 20 10 DGCDRO C[C@@H](C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000841042741 630401315 /nfs/dbraw/zinc/40/13/15/630401315.db2.gz NCJUYZMWKSZEES-LIRRHRJNSA-N 1 0 315.436 3.285 20 10 DGCDRO CCc1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000841042383 630401319 /nfs/dbraw/zinc/40/13/19/630401319.db2.gz JBCHRBZQMKLENE-KRWDZBQOSA-N 1 0 303.475 3.166 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc3ccccc3o2)cc1 ZINC000841043946 630401394 /nfs/dbraw/zinc/40/13/94/630401394.db2.gz RQJSAQXTBANUKZ-SFHVURJKSA-N 1 0 309.413 3.288 20 10 DGCDRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045530 630401999 /nfs/dbraw/zinc/40/19/99/630401999.db2.gz MKZQKWLUGHQZAA-DOMZBBRYSA-N 1 0 317.399 3.463 20 10 DGCDRO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045777 630402003 /nfs/dbraw/zinc/40/20/03/630402003.db2.gz PTTBVVGXQIRPRI-KUHUBIRLSA-N 1 0 315.436 3.112 20 10 DGCDRO CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841072024 630404502 /nfs/dbraw/zinc/40/45/02/630404502.db2.gz DUAXMEDAEJKGJI-LBPRGKRZSA-N 1 0 303.233 3.177 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841069362 630404526 /nfs/dbraw/zinc/40/45/26/630404526.db2.gz VMWALLSBTJOXHT-MRXNPFEDSA-N 1 0 302.805 3.022 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000841089236 630406902 /nfs/dbraw/zinc/40/69/02/630406902.db2.gz JOOYEGMBUALZRO-GFCCVEGCSA-N 1 0 315.244 3.463 20 10 DGCDRO Nc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000841297215 630424594 /nfs/dbraw/zinc/42/45/94/630424594.db2.gz NMLJABDFXANWSI-KRWDZBQOSA-N 1 0 316.449 3.187 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(Cl)cc1O ZINC000841756719 630462846 /nfs/dbraw/zinc/46/28/46/630462846.db2.gz ZQJRATKHCXBNKR-LBPRGKRZSA-N 1 0 324.852 3.487 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(C)cc1O ZINC000841761531 630463164 /nfs/dbraw/zinc/46/31/64/630463164.db2.gz GGHAYOTWDZXQMR-INIZCTEOSA-N 1 0 321.461 3.309 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000841761734 630463340 /nfs/dbraw/zinc/46/33/40/630463340.db2.gz KLNYNFXAJKXEAT-JQWIXIFHSA-N 1 0 318.795 3.344 20 10 DGCDRO COC1(C(F)(F)F)CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000841888816 630473675 /nfs/dbraw/zinc/47/36/75/630473675.db2.gz RUOWAFCYGORQQS-UHFFFAOYSA-N 1 0 303.324 3.244 20 10 DGCDRO Oc1ccccc1C[N@H+](CCOCC1CCC1)C[C@@H]1CCCO1 ZINC000842152884 630499558 /nfs/dbraw/zinc/49/95/58/630499558.db2.gz JYNVNFRYZYHPOH-SFHVURJKSA-N 1 0 319.445 3.190 20 10 DGCDRO CC[C@@H](C)C[C@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000842756571 630571927 /nfs/dbraw/zinc/57/19/27/630571927.db2.gz NYKWBPZPXGLLKE-NVXWUHKLSA-N 1 0 320.477 3.051 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(Cl)cc1O ZINC000842881978 630588887 /nfs/dbraw/zinc/58/88/87/630588887.db2.gz MWAXBKZGDOJDHS-MFKMUULPSA-N 1 0 310.825 3.096 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842886656 630589633 /nfs/dbraw/zinc/58/96/33/630589633.db2.gz TVZINZWPAYUUST-RHSMWYFYSA-N 1 0 317.477 3.193 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)c2c1c(F)ccc2O ZINC000842894848 630591235 /nfs/dbraw/zinc/59/12/35/630591235.db2.gz IRCKGJAZZSZERU-NHYWBVRUSA-N 1 0 301.361 3.362 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)c2ccccc2F)c1 ZINC000842922804 630593518 /nfs/dbraw/zinc/59/35/18/630593518.db2.gz DTEDZQMNRIIDEX-SJKOYZFVSA-N 1 0 319.376 3.314 20 10 DGCDRO OCC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000842925204 630593980 /nfs/dbraw/zinc/59/39/80/630593980.db2.gz WVBMTDICQTXUNZ-CVEARBPZSA-N 1 0 301.361 3.232 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000843044213 630607678 /nfs/dbraw/zinc/60/76/78/630607678.db2.gz YMNLKUWSMQJUJF-UHFFFAOYSA-N 1 0 301.478 3.249 20 10 DGCDRO CCCN(CCC)c1ccc(CN2CCC([NH2+]C)CC2)cc1 ZINC000843049723 630607991 /nfs/dbraw/zinc/60/79/91/630607991.db2.gz UBLHYVYZYGYDBO-UHFFFAOYSA-N 1 0 303.494 3.497 20 10 DGCDRO CCCN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000843053503 630608654 /nfs/dbraw/zinc/60/86/54/630608654.db2.gz ZJFAEEDCPXPPQO-IBGZPJMESA-N 1 0 301.478 3.251 20 10 DGCDRO C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)[C@H]1C[NH3+] ZINC000843052243 630608810 /nfs/dbraw/zinc/60/88/10/630608810.db2.gz QOWSZDOVTZQUCQ-LPHOPBHVSA-N 1 0 301.478 3.236 20 10 DGCDRO CCCn1nc(C)c(CN2CCCc3cc(C[NH3+])ccc32)c1C ZINC000843057634 630609352 /nfs/dbraw/zinc/60/93/52/630609352.db2.gz GCVHROKGINNVRI-UHFFFAOYSA-N 1 0 312.461 3.321 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccnn1-c1ccccc1 ZINC000843058146 630609758 /nfs/dbraw/zinc/60/97/58/630609758.db2.gz MFGHCHYIFRICDA-UHFFFAOYSA-N 1 0 318.424 3.284 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843129122 630617546 /nfs/dbraw/zinc/61/75/46/630617546.db2.gz RMSRXANBNZKGCW-LJQANCHMSA-N 1 0 313.489 3.441 20 10 DGCDRO CCc1ccccc1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843349877 630648736 /nfs/dbraw/zinc/64/87/36/630648736.db2.gz LIFOSCDJOSEYEQ-UHFFFAOYSA-N 1 0 323.440 3.099 20 10 DGCDRO Cc1ccc(C)c(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843349600 630648932 /nfs/dbraw/zinc/64/89/32/630648932.db2.gz FTCAZZZQXWOOBC-UHFFFAOYSA-N 1 0 323.440 3.153 20 10 DGCDRO CC(=O)Nc1cccc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350358 630648991 /nfs/dbraw/zinc/64/89/91/630648991.db2.gz NVPSPFHDXBUSSW-UHFFFAOYSA-N 1 0 309.413 3.057 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c1O ZINC000843432679 630658208 /nfs/dbraw/zinc/65/82/08/630658208.db2.gz HLRHHHYCOPYMLU-SFHVURJKSA-N 1 0 319.445 3.234 20 10 DGCDRO CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843483437 630662108 /nfs/dbraw/zinc/66/21/08/630662108.db2.gz CSTVSIPDWZCKAJ-WMLDXEAASA-N 1 0 312.413 3.219 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc3c2CCC3)cc1 ZINC000844901742 630970182 /nfs/dbraw/zinc/97/01/82/630970182.db2.gz JTSXMHBMZIUBGG-FQEVSTJZSA-N 1 0 309.457 3.031 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CNc3ccccc3C2)c1O ZINC000844907377 630975873 /nfs/dbraw/zinc/97/58/73/630975873.db2.gz IYABFLNZWLWOMH-HNNXBMFYSA-N 1 0 302.805 3.480 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2CCc3ccccc3N2)c1 ZINC000844912364 630978854 /nfs/dbraw/zinc/97/88/54/630978854.db2.gz SPGAVPHSLIUFFY-INIZCTEOSA-N 1 0 312.413 3.307 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@H]1C ZINC000845970879 631204160 /nfs/dbraw/zinc/20/41/60/631204160.db2.gz FAVAKLZURJCDSF-ZWUHOBOKSA-N 1 0 321.417 3.029 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000846009267 631205389 /nfs/dbraw/zinc/20/53/89/631205389.db2.gz VZAZHEFYLJJOQO-NRFANRHFSA-N 1 0 324.468 3.027 20 10 DGCDRO C[C@H](O)[C@H]([NH2+]Cc1c(O)cccc1Cl)c1ccccc1F ZINC000846018272 631206190 /nfs/dbraw/zinc/20/61/90/631206190.db2.gz SGQDPFRSZKOVON-QFYYESIMSA-N 1 0 309.768 3.396 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c(O)c1 ZINC000846016911 631206308 /nfs/dbraw/zinc/20/63/08/631206308.db2.gz KLAPLTPHOSVILZ-KPZWWZAWSA-N 1 0 319.376 3.142 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@](C)(O)c1ccccc1 ZINC000846035741 631207187 /nfs/dbraw/zinc/20/71/87/631207187.db2.gz DIJWPHRGMLTXKD-IFXJQAMLSA-N 1 0 316.420 3.278 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C2CC2)C2CCOCC2)c1O ZINC000846043408 631207891 /nfs/dbraw/zinc/20/78/91/631207891.db2.gz ZHFLLHMRRSMKQE-QGZVFWFLSA-N 1 0 305.418 3.086 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)c1 ZINC000846043288 631207939 /nfs/dbraw/zinc/20/79/39/631207939.db2.gz WRTWBSPVSGCKPS-KZULUSFZSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3c[nH]nc3c2)cc1 ZINC000846052632 631208239 /nfs/dbraw/zinc/20/82/39/631208239.db2.gz PLAMAQLJHLYHAT-UHFFFAOYSA-N 1 0 324.428 3.140 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC000846118556 631210682 /nfs/dbraw/zinc/21/06/82/631210682.db2.gz XLSBZXUQNIQZGF-ZDUSSCGKSA-N 1 0 303.736 3.285 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1O ZINC000846136062 631211368 /nfs/dbraw/zinc/21/13/68/631211368.db2.gz HRXWOYDXHVBXLM-XHDPSFHLSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccccc2C)c1O ZINC000846141629 631211519 /nfs/dbraw/zinc/21/15/19/631211519.db2.gz LAYSKZOXPCEXBP-CQSZACIVSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)c1O ZINC000846139946 631211638 /nfs/dbraw/zinc/21/16/38/631211638.db2.gz BWPXKSLTUNWGDL-LBPRGKRZSA-N 1 0 314.385 3.210 20 10 DGCDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1C ZINC000846142862 631211668 /nfs/dbraw/zinc/21/16/68/631211668.db2.gz BLPPRFDXWUFRPT-NSHDSACASA-N 1 0 303.406 3.085 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)c1O ZINC000846142445 631211685 /nfs/dbraw/zinc/21/16/85/631211685.db2.gz TYALOPRHBHETEN-ZDUSSCGKSA-N 1 0 304.434 3.068 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CN2CCC[C@H](C)C2)c1O ZINC000846143527 631211809 /nfs/dbraw/zinc/21/18/09/631211809.db2.gz JGHAEFMHUYDTMS-ZNMIVQPWSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1O ZINC000846146402 631212042 /nfs/dbraw/zinc/21/20/42/631212042.db2.gz QNXPJNIDOGBGBD-LBPRGKRZSA-N 1 0 319.405 3.191 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1O ZINC000846146238 631212129 /nfs/dbraw/zinc/21/21/29/631212129.db2.gz LTPXHLPMYDWEML-LLVKDONJSA-N 1 0 302.330 3.160 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2c(C)noc2C)c1O ZINC000846148398 631212375 /nfs/dbraw/zinc/21/23/75/631212375.db2.gz YSTLKMXTLIOAQE-MNOVXSKESA-N 1 0 304.390 3.287 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1O ZINC000846167395 631213184 /nfs/dbraw/zinc/21/31/84/631213184.db2.gz JHYVZIBLZRDYIX-GFCCVEGCSA-N 1 0 311.385 3.170 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1O ZINC000846169510 631213222 /nfs/dbraw/zinc/21/32/22/631213222.db2.gz RJIPBLPXVPVXSM-FXHACXQTSA-N 1 0 313.397 3.364 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)c1O ZINC000846166848 631213299 /nfs/dbraw/zinc/21/32/99/631213299.db2.gz DMPVKISMFKRAMG-ZFWWWQNUSA-N 1 0 307.434 3.240 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)c1O ZINC000846169345 631213306 /nfs/dbraw/zinc/21/33/06/631213306.db2.gz CYMSWYSGYKEOFS-IYOUNJFTSA-N 1 0 315.413 3.482 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2COc3c(C)cccc3C2)c1O ZINC000846174479 631213548 /nfs/dbraw/zinc/21/35/48/631213548.db2.gz WVFYWXPZEHDURD-DZGCQCFKSA-N 1 0 313.397 3.364 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCCc2cccc(C)n2)c1O ZINC000846172930 631213619 /nfs/dbraw/zinc/21/36/19/631213619.db2.gz PPFDTADFMOTXLP-CQSZACIVSA-N 1 0 300.402 3.388 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])c1O ZINC000846226377 631215690 /nfs/dbraw/zinc/21/56/90/631215690.db2.gz LSUNYZQWXQGEQJ-BZNIZROVSA-N 1 0 324.852 3.198 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(Cl)c(F)c2)c1 ZINC000846844781 631326122 /nfs/dbraw/zinc/32/61/22/631326122.db2.gz OVGCFEFUOOGNGF-SECBINFHSA-N 1 0 310.756 3.439 20 10 DGCDRO C/C(=C\c1cccnc1)C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000846864813 631332599 /nfs/dbraw/zinc/33/25/99/631332599.db2.gz DXNFXYFQQPGZMQ-OTMARIDSSA-N 1 0 321.424 3.004 20 10 DGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C2CCC2)c1O ZINC000848534390 631681791 /nfs/dbraw/zinc/68/17/91/631681791.db2.gz PKRKGBBSGWVBTR-MRVPVSSYSA-N 1 0 300.196 3.366 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c1O ZINC000848560700 631692940 /nfs/dbraw/zinc/69/29/40/631692940.db2.gz QEBKDESEMIYJFF-NVXWUHKLSA-N 1 0 305.418 3.228 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C2(C)CC=CC2)c1O ZINC000848560735 631693149 /nfs/dbraw/zinc/69/31/49/631693149.db2.gz JYRCQUNUHFCAEY-UHFFFAOYSA-N 1 0 312.207 3.362 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000848563861 631694096 /nfs/dbraw/zinc/69/40/96/631694096.db2.gz XZNACCVYHBULSJ-RYUDHWBXSA-N 1 0 309.406 3.029 20 10 DGCDRO CCOc1ccc(C[NH2+]CCc2ncc(C)cc2C)c(O)c1 ZINC000848565388 631694997 /nfs/dbraw/zinc/69/49/97/631694997.db2.gz WCQAHCDHOHZLOJ-UHFFFAOYSA-N 1 0 300.402 3.135 20 10 DGCDRO CCc1cccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)c1O ZINC000848876393 631767132 /nfs/dbraw/zinc/76/71/32/631767132.db2.gz IGBHHWYDBVGHLY-UHFFFAOYSA-N 1 0 312.413 3.334 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1O ZINC000848882731 631769534 /nfs/dbraw/zinc/76/95/34/631769534.db2.gz ZOIVFNPSCSPKSS-SFHVURJKSA-N 1 0 324.424 3.018 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000848888294 631773108 /nfs/dbraw/zinc/77/31/08/631773108.db2.gz RGQCKOIQXGLLSD-HNNXBMFYSA-N 1 0 305.418 3.118 20 10 DGCDRO CCc1cccc(C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@H]2CC)c1O ZINC000848887871 631773147 /nfs/dbraw/zinc/77/31/47/631773147.db2.gz GXJQCMCYTUKYBP-MSOLQXFVSA-N 1 0 318.461 3.176 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c1O ZINC000848894440 631775628 /nfs/dbraw/zinc/77/56/28/631775628.db2.gz LUBGZMHVESIEAI-GOSISDBHSA-N 1 0 316.420 3.486 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2ccc(OC)cc2OC)c1O ZINC000848895082 631776372 /nfs/dbraw/zinc/77/63/72/631776372.db2.gz OZYBAVYRFZSCBW-UHFFFAOYSA-N 1 0 315.413 3.304 20 10 DGCDRO CCc1cccc(C[NH2+]CCOc2ccc(Cl)cn2)c1O ZINC000848898063 631777546 /nfs/dbraw/zinc/77/75/46/631777546.db2.gz POSVPEGUSXNSNN-UHFFFAOYSA-N 1 0 306.793 3.172 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000848897367 631777879 /nfs/dbraw/zinc/77/78/79/631777879.db2.gz PQZWYRIHVBKOLY-QGZVFWFLSA-N 1 0 324.424 3.129 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c1O ZINC000848898982 631778795 /nfs/dbraw/zinc/77/87/95/631778795.db2.gz BMEOGAMQCPHCFG-RTBURBONSA-N 1 0 310.441 3.490 20 10 DGCDRO CCc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000848907407 631781626 /nfs/dbraw/zinc/78/16/26/631781626.db2.gz CSWWCGBLTNZREC-YZVOILCLSA-N 1 0 319.445 3.113 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000848913250 631783999 /nfs/dbraw/zinc/78/39/99/631783999.db2.gz SKYMMUGNWYXYJY-FUHWJXTLSA-N 1 0 301.430 3.488 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O ZINC000848916894 631786851 /nfs/dbraw/zinc/78/68/51/631786851.db2.gz YNFZJHBQBRTOGV-AWEZNQCLSA-N 1 0 318.461 3.068 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2ccccn2)c1O ZINC000848925706 631789693 /nfs/dbraw/zinc/78/96/93/631789693.db2.gz DEKUJYKWNFHEOX-NSHDSACASA-N 1 0 306.793 3.170 20 10 DGCDRO C[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC000848929671 631791923 /nfs/dbraw/zinc/79/19/23/631791923.db2.gz YDDOSLUMMUBSIY-NSHDSACASA-N 1 0 316.367 3.117 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1O ZINC000848928012 631792564 /nfs/dbraw/zinc/79/25/64/631792564.db2.gz UCLPATMISMCRMO-HZPDHXFCSA-N 1 0 308.853 3.461 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1 ZINC000849349743 631900681 /nfs/dbraw/zinc/90/06/81/631900681.db2.gz HVFJHLWZASUYGV-QZTJIDSGSA-N 1 0 314.404 3.075 20 10 DGCDRO COc1cc(C[NH2+]C[C@H](C2CC2)N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850036174 632034170 /nfs/dbraw/zinc/03/41/70/632034170.db2.gz LYIDNDGTBWSRSE-QGZVFWFLSA-N 1 0 320.477 3.128 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850295495 632107109 /nfs/dbraw/zinc/10/71/09/632107109.db2.gz WKLQROJFJHHODY-KBPBESRZSA-N 1 0 321.461 3.461 20 10 DGCDRO COc1cc(C[NH2+]CCC(C)(C)CO)c(O)c(C(C)(C)C)c1 ZINC000850314249 632111529 /nfs/dbraw/zinc/11/15/29/632111529.db2.gz SLGAYACNINUUMU-UHFFFAOYSA-N 1 0 309.450 3.197 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2COCC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000850318063 632112535 /nfs/dbraw/zinc/11/25/35/632112535.db2.gz ONPGISIRYXILIH-OAHLLOKOSA-N 1 0 307.434 3.213 20 10 DGCDRO CCC1(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)COC1 ZINC000850318658 632112582 /nfs/dbraw/zinc/11/25/82/632112582.db2.gz XCZNSHJTEHQSGB-UHFFFAOYSA-N 1 0 307.434 3.215 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCC(F)(F)CC3)C2)cc1 ZINC000850346049 632120113 /nfs/dbraw/zinc/12/01/13/632120113.db2.gz BOWJDALIFKNFCK-AWEZNQCLSA-N 1 0 310.388 3.441 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c(Cl)c1 ZINC000850354825 632122798 /nfs/dbraw/zinc/12/27/98/632122798.db2.gz BBZRFHFCORIAGZ-HTGLOVNISA-N 1 0 315.866 3.133 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c(Cl)c1 ZINC000850354826 632123092 /nfs/dbraw/zinc/12/30/92/632123092.db2.gz BBZRFHFCORIAGZ-JGRMJRGVSA-N 1 0 315.866 3.133 20 10 DGCDRO COc1cccc(OC)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000850355572 632123628 /nfs/dbraw/zinc/12/36/28/632123628.db2.gz JFFOUPRFNLVWPU-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850368414 632127805 /nfs/dbraw/zinc/12/78/05/632127805.db2.gz XPKPMTXUDHBIEO-QGZVFWFLSA-N 1 0 300.446 3.478 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c(O)c1 ZINC000850375314 632131125 /nfs/dbraw/zinc/13/11/25/632131125.db2.gz XGUSWBQSQWTFOQ-RZDIXWSQSA-N 1 0 313.397 3.491 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@]3(C)CC3(F)F)CC2)cc1 ZINC000850379385 632133165 /nfs/dbraw/zinc/13/31/65/632133165.db2.gz NHQRGTZTOQMEAW-MRXNPFEDSA-N 1 0 310.388 3.299 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1O ZINC000850381914 632133885 /nfs/dbraw/zinc/13/38/85/632133885.db2.gz LBTSPZBRDBZPHC-MRXNPFEDSA-N 1 0 318.461 3.288 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c(O)c(C(C)(C)C)c1 ZINC000850388514 632137066 /nfs/dbraw/zinc/13/70/66/632137066.db2.gz NIGLHAXHUBYORD-HZPDHXFCSA-N 1 0 319.445 3.091 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C1CCC3(CC3(F)F)CC1)OCO2 ZINC000850391106 632137085 /nfs/dbraw/zinc/13/70/85/632137085.db2.gz FNDPYOFDCNZDOE-UHFFFAOYSA-N 1 0 311.328 3.179 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1O ZINC000850393748 632137701 /nfs/dbraw/zinc/13/77/01/632137701.db2.gz VVFLKCPQUPZDSH-PTEHBNRSSA-N 1 0 312.207 3.051 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406761 632142226 /nfs/dbraw/zinc/14/22/26/632142226.db2.gz SLIQXQUNDDCCTJ-UHFFFAOYSA-N 1 0 324.468 3.500 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850474849 632163730 /nfs/dbraw/zinc/16/37/30/632163730.db2.gz QXDVYIFUSAJQST-WBVHZDCISA-N 1 0 302.462 3.293 20 10 DGCDRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Br)ccc1O ZINC000850482972 632166251 /nfs/dbraw/zinc/16/62/51/632166251.db2.gz TUXMWGQJXMCUCS-ONGXEEELSA-N 1 0 314.223 3.373 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C(F)(F)F)nc2)c1 ZINC000850485303 632167107 /nfs/dbraw/zinc/16/71/07/632167107.db2.gz DIHMSUITJIRFKN-JTQLQIEISA-N 1 0 311.307 3.360 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cncs3)C2)cc1 ZINC000850488425 632168645 /nfs/dbraw/zinc/16/86/45/632168645.db2.gz MRHHIOCKKBTSBA-STQMWFEESA-N 1 0 303.431 3.081 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccnc1N1CCCC1)CC2 ZINC000850499917 632172445 /nfs/dbraw/zinc/17/24/45/632172445.db2.gz AHWSDRKVESHSBE-MRXNPFEDSA-N 1 0 309.413 3.165 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cc2c(cc1O)CCCC2 ZINC000850499607 632172611 /nfs/dbraw/zinc/17/26/11/632172611.db2.gz SPWWDTMQZUGBQJ-WQGACYEGSA-N 1 0 312.417 3.219 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3cc(F)ccc3C2)c1 ZINC000850536090 632184773 /nfs/dbraw/zinc/18/47/73/632184773.db2.gz BREUQXCGFAPQEO-BXUZGUMPSA-N 1 0 317.360 3.194 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c(O)c1 ZINC000850540584 632186898 /nfs/dbraw/zinc/18/68/98/632186898.db2.gz NHESMJQFDMFLSP-YXJHDRRASA-N 1 0 313.445 3.496 20 10 DGCDRO Cc1cncc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000850549454 632189229 /nfs/dbraw/zinc/18/92/29/632189229.db2.gz GSKMGXYLLKVWSZ-QMTHXVAHSA-N 1 0 301.365 3.010 20 10 DGCDRO CNC(=O)CC1(C[NH2+][C@H](C)c2cc(C)ccc2O)CCCCC1 ZINC000850558055 632192735 /nfs/dbraw/zinc/19/27/35/632192735.db2.gz ZCZAUERZRLMLFY-OAHLLOKOSA-N 1 0 318.461 3.438 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C ZINC000850558712 632193077 /nfs/dbraw/zinc/19/30/77/632193077.db2.gz TXXRUSXEMGZFMP-CABCVRRESA-N 1 0 318.461 3.307 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccccc1O ZINC000850561080 632194472 /nfs/dbraw/zinc/19/44/72/632194472.db2.gz HXAMYSRPDWNDTP-YJBOKZPZSA-N 1 0 307.434 3.001 20 10 DGCDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565100 632195473 /nfs/dbraw/zinc/19/54/73/632195473.db2.gz ACJHVXVBYBKRGH-HNAYVOBHSA-N 1 0 302.462 3.316 20 10 DGCDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566833 632196810 /nfs/dbraw/zinc/19/68/10/632196810.db2.gz TUMBHMYDBNHKHF-LBPRGKRZSA-N 1 0 316.367 3.078 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cc(Br)ccc1O ZINC000850573366 632198491 /nfs/dbraw/zinc/19/84/91/632198491.db2.gz YNMBIXGAZCLJCU-ZJUUUORDSA-N 1 0 324.222 3.300 20 10 DGCDRO CC(C)[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccc(N(C)C)cc1 ZINC000851732258 632478345 /nfs/dbraw/zinc/47/83/45/632478345.db2.gz NCGSITARHDPFQH-MRXNPFEDSA-N 1 0 312.404 3.387 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](OC)[C@H]1CCOC1 ZINC000852017973 632540466 /nfs/dbraw/zinc/54/04/66/632540466.db2.gz IGAGRPNJRWPKLW-WMZOPIPTSA-N 1 0 307.434 3.046 20 10 DGCDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852355821 632594637 /nfs/dbraw/zinc/59/46/37/632594637.db2.gz JWUZHVWYWUVXIZ-HNNXBMFYSA-N 1 0 319.493 3.125 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000185123448 660202694 /nfs/dbraw/zinc/20/26/94/660202694.db2.gz DXVSQYMMCZUZKR-ZNMIVQPWSA-N 1 0 306.450 3.172 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1O ZINC000185199576 660206993 /nfs/dbraw/zinc/20/69/93/660206993.db2.gz JLHHUBXJCMIHFB-NVXWUHKLSA-N 1 0 307.434 3.474 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000072672145 660211752 /nfs/dbraw/zinc/21/17/52/660211752.db2.gz XPKXLFWKFUPEGH-HNNXBMFYSA-N 1 0 300.402 3.275 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cc(F)ccc1O ZINC000185452081 660223294 /nfs/dbraw/zinc/22/32/94/660223294.db2.gz UNPAUHYCPHGGBX-LBPRGKRZSA-N 1 0 301.361 3.360 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Br)ccc1O ZINC000185459909 660224544 /nfs/dbraw/zinc/22/45/44/660224544.db2.gz KTJMBRDWEDEEGR-PFEFGLNJSA-N 1 0 312.207 3.125 20 10 DGCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185791016 660242312 /nfs/dbraw/zinc/24/23/12/660242312.db2.gz QDIJVLHHCNANGT-OLZOCXBDSA-N 1 0 321.442 3.019 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1O ZINC000186134827 660270013 /nfs/dbraw/zinc/27/00/13/660270013.db2.gz OLDZWANXHZWIQG-WMLDXEAASA-N 1 0 310.397 3.238 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c(O)c1 ZINC000186095030 660266159 /nfs/dbraw/zinc/26/61/59/660266159.db2.gz QYQJSNFNMIVIEY-ZSEKCTLFSA-N 1 0 303.427 3.289 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1O ZINC000701862763 660690435 /nfs/dbraw/zinc/69/04/35/660690435.db2.gz ZFRNNBADUXSWJU-CYBMUJFWSA-N 1 0 308.422 3.046 20 10 DGCDRO CC[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001034864063 660799488 /nfs/dbraw/zinc/79/94/88/660799488.db2.gz SRQFCUKPTJQIGV-RHSMWYFYSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)[C@@H]1CCCOC1 ZINC000706808402 660873547 /nfs/dbraw/zinc/87/35/47/660873547.db2.gz LVEZIJANXVGAMG-WDEREUQCSA-N 1 0 314.223 3.059 20 10 DGCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)[C@@H]1CCCOC1 ZINC000706808394 660873606 /nfs/dbraw/zinc/87/36/06/660873606.db2.gz LVEZIJANXVGAMG-GHMZBOCLSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1ncc(C[NH2+]Cc2c(O)cccc2Br)s1 ZINC000706821285 660873857 /nfs/dbraw/zinc/87/38/57/660873857.db2.gz BCABEWLLMSFYLF-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO CC(C)(C)OCCC[NH2+]Cc1c(O)cccc1Br ZINC000706854291 660874962 /nfs/dbraw/zinc/87/49/62/660874962.db2.gz YZLNTSHUZVXCNG-UHFFFAOYSA-N 1 0 316.239 3.450 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000792776919 660983802 /nfs/dbraw/zinc/98/38/02/660983802.db2.gz KLYGKESFVHNRGL-AWEZNQCLSA-N 1 0 316.367 3.382 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H](C)O ZINC000792810746 660986360 /nfs/dbraw/zinc/98/63/60/660986360.db2.gz XQTKRMJEOUMJRQ-LBPRGKRZSA-N 1 0 318.383 3.363 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000793074963 661003717 /nfs/dbraw/zinc/00/37/17/661003717.db2.gz VGCXFUBAIZGPRT-LBPRGKRZSA-N 1 0 316.367 3.288 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCc2cccnc2)c(C(F)(F)F)c1 ZINC000792903281 660992581 /nfs/dbraw/zinc/99/25/81/660992581.db2.gz HAWCOLHNKVBPLM-UHFFFAOYSA-N 1 0 323.362 3.499 20 10 DGCDRO Fc1ccc(-n2nccc2C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000792949555 660996648 /nfs/dbraw/zinc/99/66/48/660996648.db2.gz BLCSDRPWFWIRLT-UHFFFAOYSA-N 1 0 323.371 3.236 20 10 DGCDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792977525 660997974 /nfs/dbraw/zinc/99/79/74/660997974.db2.gz XZKRAIHRLKSZSQ-IAQYHMDHSA-N 1 0 318.383 3.268 20 10 DGCDRO CC[C@H](COC)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792992576 660998781 /nfs/dbraw/zinc/99/87/81/660998781.db2.gz POVCIBBNYZEXKO-GFCCVEGCSA-N 1 0 304.356 3.286 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](CCO)C2CC2)c(C(F)(F)F)c1 ZINC000792991750 660998838 /nfs/dbraw/zinc/99/88/38/660998838.db2.gz JALFSHDMAIJGNF-OAHLLOKOSA-N 1 0 316.367 3.022 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000793003969 660999634 /nfs/dbraw/zinc/99/96/34/660999634.db2.gz JFYVAQXHUOPZAW-SWLSCSKDSA-N 1 0 316.367 3.022 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000793337543 661025128 /nfs/dbraw/zinc/02/51/28/661025128.db2.gz RCOAXHJCIJXFBG-UHFFFAOYSA-N 1 0 312.816 3.291 20 10 DGCDRO COc1ccc(C[NH2+]Cc2nc3ccc(F)cc3s2)c(O)c1 ZINC000793391508 661029646 /nfs/dbraw/zinc/02/96/46/661029646.db2.gz YPVVFQWGAZBKIL-UHFFFAOYSA-N 1 0 318.373 3.439 20 10 DGCDRO CCOC1(C)CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000793546179 661044677 /nfs/dbraw/zinc/04/46/77/661044677.db2.gz MVPFPMBHCJPLER-UHFFFAOYSA-N 1 0 300.402 3.331 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)cc1C ZINC000793598690 661048590 /nfs/dbraw/zinc/04/85/90/661048590.db2.gz ADALYMHPXLQDGH-AWEZNQCLSA-N 1 0 322.449 3.402 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c1O ZINC000793602395 661049055 /nfs/dbraw/zinc/04/90/55/661049055.db2.gz WQQSLHAYFDDBNK-ZDUSSCGKSA-N 1 0 308.422 3.094 20 10 DGCDRO COCC1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1 ZINC000793619107 661050551 /nfs/dbraw/zinc/05/05/51/661050551.db2.gz FBIMYRVSTDWEBN-UHFFFAOYSA-N 1 0 316.367 3.430 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1C(C)C ZINC000794661303 661097372 /nfs/dbraw/zinc/09/73/72/661097372.db2.gz HDJYCBQYZMVQGV-HNAYVOBHSA-N 1 0 319.445 3.204 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O ZINC000794817808 661106874 /nfs/dbraw/zinc/10/68/74/661106874.db2.gz RATNKTMYFSUKPP-UKRRQHHQSA-N 1 0 304.434 3.141 20 10 DGCDRO C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1cc2c(cc1O)CCC2 ZINC000795694237 661168096 /nfs/dbraw/zinc/16/80/96/661168096.db2.gz OSAAHCFVSUVOIY-BMIGLBTASA-N 1 0 315.335 3.033 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(OC)c1O ZINC000156844498 655677693 /nfs/dbraw/zinc/67/76/93/655677693.db2.gz HHFVODAWKZRAFX-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO COc1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1O ZINC000317642634 655705621 /nfs/dbraw/zinc/70/56/21/655705621.db2.gz QNEUKZIOBCIGII-CABCVRRESA-N 1 0 324.852 3.161 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000090201519 655735149 /nfs/dbraw/zinc/73/51/49/655735149.db2.gz ZWABLLCCFOSIMK-HNNXBMFYSA-N 1 0 320.433 3.190 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC3(CCC3)C2)ccc1N1CCOCC1 ZINC000093455886 655740269 /nfs/dbraw/zinc/74/02/69/655740269.db2.gz FAYJUNBZBYWQQE-UHFFFAOYSA-N 1 0 304.409 3.038 20 10 DGCDRO CN(Cc1ccccc1O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000795957922 661181888 /nfs/dbraw/zinc/18/18/88/661181888.db2.gz VFDGQNJQORPILJ-UHFFFAOYSA-N 1 0 308.284 3.211 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccccc2Br)c1O ZINC000048819584 655777963 /nfs/dbraw/zinc/77/79/63/655777963.db2.gz JFOVJBKGDNMLJE-UHFFFAOYSA-N 1 0 322.202 3.453 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccn1 ZINC000158689908 655788409 /nfs/dbraw/zinc/78/84/09/655788409.db2.gz PICPWLQLFBGRLB-HNNXBMFYSA-N 1 0 313.470 3.486 20 10 DGCDRO CC[N@H+](CCc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000179439134 655892836 /nfs/dbraw/zinc/89/28/36/655892836.db2.gz ROJWDYDOWFTPJY-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000179582817 655909178 /nfs/dbraw/zinc/90/91/78/655909178.db2.gz ZPZHJEANIBXIGH-QGZVFWFLSA-N 1 0 310.441 3.489 20 10 DGCDRO C[C@@H]1CSCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000179664086 655910999 /nfs/dbraw/zinc/91/09/99/655910999.db2.gz QTWWDVWLRNPXTH-SECBINFHSA-N 1 0 302.237 3.092 20 10 DGCDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000309833379 656121551 /nfs/dbraw/zinc/12/15/51/656121551.db2.gz ZGELALSJBOGAGG-GZMMTYOYSA-N 1 0 302.237 3.138 20 10 DGCDRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc2ccccc2c1O ZINC000184917135 656122104 /nfs/dbraw/zinc/12/21/04/656122104.db2.gz WWOBQBBESPFWRR-ZDUSSCGKSA-N 1 0 324.380 3.219 20 10 DGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000186452661 656131754 /nfs/dbraw/zinc/13/17/54/656131754.db2.gz HMGFAFKMNBAYSE-DOTOQJQBSA-N 1 0 319.449 3.024 20 10 DGCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000186763023 656133560 /nfs/dbraw/zinc/13/35/60/656133560.db2.gz BEWXPRZKBXPIBL-NEPJUHHUSA-N 1 0 324.396 3.049 20 10 DGCDRO Cn1cncc1CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000297569089 656178608 /nfs/dbraw/zinc/17/86/08/656178608.db2.gz CSSHXHCJCPJGRL-UHFFFAOYSA-N 1 0 312.461 3.085 20 10 DGCDRO CCC(CC)(C[NH2+]Cc1cc(Cl)cc(OC)c1O)OC ZINC000312706740 656185106 /nfs/dbraw/zinc/18/51/06/656185106.db2.gz GURNCAIQSRKADC-UHFFFAOYSA-N 1 0 301.814 3.349 20 10 DGCDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185511425 656432243 /nfs/dbraw/zinc/43/22/43/656432243.db2.gz XSAADLYQDJGYHD-MQIPJXDCSA-N 1 0 305.443 3.308 20 10 DGCDRO COc1cc(Cl)cc(CN2CCOc3ccccc3C2)c1O ZINC000317476795 656620106 /nfs/dbraw/zinc/62/01/06/656620106.db2.gz DCMQAPNEGGUIAN-UHFFFAOYSA-N 1 0 319.788 3.449 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)C1(CC)CC ZINC000236976454 657031149 /nfs/dbraw/zinc/03/11/49/657031149.db2.gz XKQAPYKVJUGZID-CVEARBPZSA-N 1 0 307.434 3.474 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)C ZINC000305162906 657691543 /nfs/dbraw/zinc/69/15/43/657691543.db2.gz XOEQTSNTGXXLFB-ZDUSSCGKSA-N 1 0 308.441 3.311 20 10 DGCDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000305251154 657697776 /nfs/dbraw/zinc/69/77/76/657697776.db2.gz KEMMOOLRUYONFP-SWLSCSKDSA-N 1 0 307.434 3.131 20 10 DGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)COC ZINC000097989741 657700563 /nfs/dbraw/zinc/70/05/63/657700563.db2.gz HRWPPNZLFFQABJ-JTQLQIEISA-N 1 0 302.212 3.012 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000305110921 657719924 /nfs/dbraw/zinc/71/99/24/657719924.db2.gz FYZMSSHPSUMMDN-LJQANCHMSA-N 1 0 320.452 3.311 20 10 DGCDRO CC[N@@H+](Cc1cc(OC)ccc1O)C[C@H](O)c1ccc(C)cc1 ZINC000305779367 658042932 /nfs/dbraw/zinc/04/29/32/658042932.db2.gz NFPJMUAGDLKDTE-IBGZPJMESA-N 1 0 315.413 3.265 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)c1 ZINC000305779202 658043198 /nfs/dbraw/zinc/04/31/98/658043198.db2.gz RKIGPVSGZJLSCR-PIGZYNQJSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c1 ZINC000305785736 658044670 /nfs/dbraw/zinc/04/46/70/658044670.db2.gz XTURPCWJLGMZNP-MGPLVRAMSA-N 1 0 323.339 3.063 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1O ZINC000305789767 658046648 /nfs/dbraw/zinc/04/66/48/658046648.db2.gz ZNORINLQPLTBOS-GOEBONIOSA-N 1 0 307.340 3.445 20 10 DGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C(C)(C)C)C2)cc1C ZINC000962576292 658123868 /nfs/dbraw/zinc/12/38/68/658123868.db2.gz KUARAZHTZSKNIS-UHFFFAOYSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163404625 658316324 /nfs/dbraw/zinc/31/63/24/658316324.db2.gz KOCNGQDYFAZUTR-LBPRGKRZSA-N 1 0 316.367 3.430 20 10 DGCDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](CC)C1 ZINC001037758902 658342307 /nfs/dbraw/zinc/34/23/07/658342307.db2.gz KZOHLNFUYNBICD-DLBZAZTESA-N 1 0 318.461 3.130 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000321883270 658380550 /nfs/dbraw/zinc/38/05/50/658380550.db2.gz JVIRNUFSPSPTBI-KRWDZBQOSA-N 1 0 319.493 3.112 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(Br)cc2)c1O ZINC000042352284 658769458 /nfs/dbraw/zinc/76/94/58/658769458.db2.gz VKNCOCYCFKAJFP-UHFFFAOYSA-N 1 0 322.202 3.453 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000224828489 659032370 /nfs/dbraw/zinc/03/23/70/659032370.db2.gz QPHAMNDJDFECCL-HNNXBMFYSA-N 1 0 320.433 3.190 20 10 DGCDRO C[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000157455983 659063239 /nfs/dbraw/zinc/06/32/39/659063239.db2.gz XGWCOCDMFNOVLE-MRXNPFEDSA-N 1 0 320.477 3.237 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1O ZINC000225931705 659088035 /nfs/dbraw/zinc/08/80/35/659088035.db2.gz PGVFWKAJBGPWAA-OAHLLOKOSA-N 1 0 320.433 3.094 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000227716502 659162802 /nfs/dbraw/zinc/16/28/02/659162802.db2.gz PCRZWQBPPKSNJE-HNNXBMFYSA-N 1 0 321.465 3.146 20 10 DGCDRO COCCCCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000171499665 659283549 /nfs/dbraw/zinc/28/35/49/659283549.db2.gz DKZZDIUZLLOECH-UHFFFAOYSA-N 1 0 306.450 3.024 20 10 DGCDRO [NH3+]CCCN(Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000230008708 659295600 /nfs/dbraw/zinc/29/56/00/659295600.db2.gz YKFFQRAXHWLCIO-UHFFFAOYSA-N 1 0 304.821 3.397 20 10 DGCDRO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1ccccc1O ZINC000171937046 659307822 /nfs/dbraw/zinc/30/78/22/659307822.db2.gz DVOWYCLTICWYSH-LLVKDONJSA-N 1 0 320.339 3.129 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1O ZINC000246120492 659884982 /nfs/dbraw/zinc/88/49/82/659884982.db2.gz KHKWTVBPNFIPAH-ZJUUUORDSA-N 1 0 314.223 3.394 20 10 DGCDRO C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1O ZINC000179443678 659929025 /nfs/dbraw/zinc/92/90/25/659929025.db2.gz XEKXYPOZKQRYMV-UHFFFAOYSA-N 1 0 307.397 3.269 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000067980196 659932728 /nfs/dbraw/zinc/93/27/28/659932728.db2.gz QZASZNJFIZLJFJ-UHFFFAOYSA-N 1 0 321.424 3.499 20 10 DGCDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179565567 659933635 /nfs/dbraw/zinc/93/36/35/659933635.db2.gz FDHDCEMRGTZWAO-KRWDZBQOSA-N 1 0 318.461 3.301 20 10 DGCDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000179564122 659933790 /nfs/dbraw/zinc/93/37/90/659933790.db2.gz IIIZEJDNCIWXCU-HNNXBMFYSA-N 1 0 320.433 3.271 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccccc3C)CC2)c1 ZINC000179588281 659934346 /nfs/dbraw/zinc/93/43/46/659934346.db2.gz QHCMTGCOTUKCSO-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000179949930 659947425 /nfs/dbraw/zinc/94/74/25/659947425.db2.gz NGYNXJYKWXSSTF-HXUWFJFHSA-N 1 0 310.441 3.280 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000180170495 659954037 /nfs/dbraw/zinc/95/40/37/659954037.db2.gz RJEJZWCDUFZETD-OAHLLOKOSA-N 1 0 318.461 3.075 20 10 DGCDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000180770918 659970003 /nfs/dbraw/zinc/97/00/03/659970003.db2.gz FVRBKJDWOCZCJR-UHFFFAOYSA-N 1 0 318.461 3.253 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)C1(C)C ZINC000181773856 660018973 /nfs/dbraw/zinc/01/89/73/660018973.db2.gz DVLHPUWNNIACEI-VXGBXAGGSA-N 1 0 300.493 3.419 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000182390175 660049316 /nfs/dbraw/zinc/04/93/16/660049316.db2.gz JTSLXMHBZAYVMD-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000182408931 660051361 /nfs/dbraw/zinc/05/13/61/660051361.db2.gz VKQQRSOSCRBFHJ-CYBMUJFWSA-N 1 0 312.369 3.002 20 10 DGCDRO C[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1O ZINC000183674593 660130133 /nfs/dbraw/zinc/13/01/33/660130133.db2.gz XOBFUYAZOINBES-HNNXBMFYSA-N 1 0 311.429 3.317 20 10 DGCDRO C[C@@H]([NH2+]CCC1(C)OCCO1)c1ccc(N2CCCCC2)cc1 ZINC000183898488 660146208 /nfs/dbraw/zinc/14/62/08/660146208.db2.gz JIHNSAISJDXHGD-MRXNPFEDSA-N 1 0 318.461 3.481 20 10 DGCDRO CN(C)c1ccc(CN(C(=O)CC[NH2+]C(C)(C)C)C2CC2)cc1 ZINC000929935985 661351675 /nfs/dbraw/zinc/35/16/75/661351675.db2.gz USYAHCAKMRGIIU-UHFFFAOYSA-N 1 0 317.477 3.022 20 10 DGCDRO CC(=O)c1cc(F)cc(CN(Cc2ccoc2)C2CC2)c1O ZINC000934004462 661672836 /nfs/dbraw/zinc/67/28/36/661672836.db2.gz LWQOWDXLUYCUSN-UHFFFAOYSA-N 1 0 303.333 3.492 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)CC[NH2+]C(C)(C)C ZINC000935855990 661815976 /nfs/dbraw/zinc/81/59/76/661815976.db2.gz TZKKXOXJKMJPSX-UHFFFAOYSA-N 1 0 306.450 3.299 20 10 DGCDRO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000156471450 661863130 /nfs/dbraw/zinc/86/31/30/661863130.db2.gz NPSLCPIFNXSJCJ-UHFFFAOYSA-N 1 0 316.401 3.154 20 10 DGCDRO CCCn1cc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)cn1 ZINC000156842576 661865242 /nfs/dbraw/zinc/86/52/42/661865242.db2.gz ZIVXVDYIZDWTNG-UHFFFAOYSA-N 1 0 300.450 3.381 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(N2CCCCC2)cc1 ZINC000187677685 661902024 /nfs/dbraw/zinc/90/20/24/661902024.db2.gz FUBFMVSMGVPDDH-WBAXXEDZSA-N 1 0 302.462 3.487 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCC23CCCC3)ccc1N1CCOCC1 ZINC000189072724 661961503 /nfs/dbraw/zinc/96/15/03/661961503.db2.gz ICYLQRQOUOTNGT-SFHVURJKSA-N 1 0 318.436 3.475 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](CCC)Cc1ccccc1O ZINC000076074410 661966689 /nfs/dbraw/zinc/96/66/89/661966689.db2.gz TVLNVRNFBVTWNR-GJZGRUSLSA-N 1 0 306.450 3.298 20 10 DGCDRO Cc1cc(C(=O)NCCC[NH+](C)C)c(C)n1-c1ccccc1C ZINC000078258723 662057179 /nfs/dbraw/zinc/05/71/79/662057179.db2.gz PTMJKJIMHABADN-UHFFFAOYSA-N 1 0 313.445 3.084 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1F ZINC000192675489 662107668 /nfs/dbraw/zinc/10/76/68/662107668.db2.gz NVGZPORHDKLKRU-UHFFFAOYSA-N 1 0 306.356 3.329 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000192680183 662107994 /nfs/dbraw/zinc/10/79/94/662107994.db2.gz HDAINPULHMFXTC-QWHCGFSZSA-N 1 0 308.422 3.264 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000192691121 662108287 /nfs/dbraw/zinc/10/82/87/662108287.db2.gz NZWSQZBVPWHDDZ-QWRGUYRKSA-N 1 0 312.385 3.095 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CO)C2CCCCC2)c1O ZINC000079763196 662121237 /nfs/dbraw/zinc/12/12/37/662121237.db2.gz PKKCBGUKVRKSFG-GOSISDBHSA-N 1 0 323.408 3.155 20 10 DGCDRO CCOC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000193711370 662145999 /nfs/dbraw/zinc/14/59/99/662145999.db2.gz OGGPWKPUQNCFGB-UHFFFAOYSA-N 1 0 307.434 3.396 20 10 DGCDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1O ZINC000083171169 662194448 /nfs/dbraw/zinc/19/44/48/662194448.db2.gz XCGNXWRNRMPFPD-UHFFFAOYSA-N 1 0 313.313 3.074 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1C ZINC000245751811 662240295 /nfs/dbraw/zinc/24/02/95/662240295.db2.gz XUYOHLUAQUPIFE-ZDUSSCGKSA-N 1 0 316.367 3.077 20 10 DGCDRO CCC[N@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1ccccc1O ZINC000246166473 662249482 /nfs/dbraw/zinc/24/94/82/662249482.db2.gz BSZIVUABQAQARJ-HZPDHXFCSA-N 1 0 318.461 3.109 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000090795444 662277943 /nfs/dbraw/zinc/27/79/43/662277943.db2.gz WGTBAGIQGSFAES-FOIQADDNSA-N 1 0 310.441 3.237 20 10 DGCDRO COCCCOCC[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000091026203 662290058 /nfs/dbraw/zinc/29/00/58/662290058.db2.gz LGVJWWGYGFZWEY-UHFFFAOYSA-N 1 0 303.402 3.030 20 10 DGCDRO COc1ccccc1OCC[N@H+](C)Cc1cc(C)ccc1O ZINC000091900159 662324662 /nfs/dbraw/zinc/32/46/62/662324662.db2.gz FZRBCRMLKVHXOJ-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO Fc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)ccc1N1CCOCC1 ZINC000092709651 662334412 /nfs/dbraw/zinc/33/44/12/662334412.db2.gz CLSZLDCXKNSBRG-WMZOPIPTSA-N 1 0 318.436 3.427 20 10 DGCDRO CC[N@H+](Cc1ccoc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092935874 662339905 /nfs/dbraw/zinc/33/99/05/662339905.db2.gz KWGBKOQGMISEDY-UHFFFAOYSA-N 1 0 318.392 3.277 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H](O)c1ccc(F)cc1 ZINC000248499029 662350465 /nfs/dbraw/zinc/35/04/65/662350465.db2.gz MMCDUNGKCRKZNA-WVQJBOLRSA-N 1 0 307.340 3.443 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC000093360166 662353874 /nfs/dbraw/zinc/35/38/74/662353874.db2.gz POOBFNDAAOURME-CQSZACIVSA-N 1 0 322.449 3.354 20 10 DGCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093813494 662359707 /nfs/dbraw/zinc/35/97/07/662359707.db2.gz GZFUSLSNYUKHGW-IBGZPJMESA-N 1 0 316.445 3.062 20 10 DGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)NC(=O)OC(C)(C)C ZINC000227683211 685118634 /nfs/dbraw/zinc/11/86/34/685118634.db2.gz RTUKARHCFFCEOM-JTQLQIEISA-N 1 0 314.813 3.048 20 10 DGCDRO CCC[C@H](C[NH2+]Cc1cc(Br)ccc1O)OC ZINC000378689364 685144384 /nfs/dbraw/zinc/14/43/84/685144384.db2.gz HKJAKAVHTWLKDS-GFCCVEGCSA-N 1 0 302.212 3.059 20 10 DGCDRO C[C@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1Cc1ccccc1 ZINC000383365353 685166790 /nfs/dbraw/zinc/16/67/90/685166790.db2.gz UYBVHZWAENAUIV-JXFKEZNVSA-N 1 0 322.452 3.374 20 10 DGCDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1cccc(C)c1O ZINC000387546066 685184458 /nfs/dbraw/zinc/18/44/58/685184458.db2.gz QSQWQBZNKNBICO-CQSZACIVSA-N 1 0 322.449 3.436 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)COCc2ccccc2)c1 ZINC000389987537 685198528 /nfs/dbraw/zinc/19/85/28/685198528.db2.gz CHENQKPAAROWBL-UHFFFAOYSA-N 1 0 315.413 3.486 20 10 DGCDRO Nc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390750408 685205250 /nfs/dbraw/zinc/20/52/50/685205250.db2.gz SBSYBBMFSKNFQO-SFHVURJKSA-N 1 0 324.428 3.055 20 10 DGCDRO C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000397733864 685231369 /nfs/dbraw/zinc/23/13/69/685231369.db2.gz FETQJMRVDSNFFO-LLVKDONJSA-N 1 0 324.396 3.049 20 10 DGCDRO Cc1cc(Br)cc(C[N@H+]2CCCOC[C@H]2C)c1O ZINC000398899437 685238250 /nfs/dbraw/zinc/23/82/50/685238250.db2.gz CQUWIIOAAPRXBW-LLVKDONJSA-N 1 0 314.223 3.074 20 10 DGCDRO C[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC[NH2+]1 ZINC001576809471 1191870461 /nfs/dbraw/zinc/87/04/61/1191870461.db2.gz ZDGJDGPHAVYVEH-QGZVFWFLSA-N 1 0 321.468 3.043 20 10 DGCDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001577397048 1191898085 /nfs/dbraw/zinc/89/80/85/1191898085.db2.gz LAOFIAAKEDXDCA-KRWDZBQOSA-N 1 0 313.445 3.341 20 10 DGCDRO [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001580383819 1192024323 /nfs/dbraw/zinc/02/43/23/1192024323.db2.gz GZQGJDHPRZCJHX-CVEARBPZSA-N 1 0 310.357 3.157 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CO)CCC(C)(C)C)cc1F ZINC001620914371 1192593706 /nfs/dbraw/zinc/59/37/06/1192593706.db2.gz QQNDZIZQDDIJGC-ZDUSSCGKSA-N 1 0 314.420 3.308 20 10 DGCDRO CCCCN(C)C[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001620956334 1192652300 /nfs/dbraw/zinc/65/23/00/1192652300.db2.gz ROEVFFMOISEHPQ-JJEJIETFSA-N 1 0 303.494 3.476 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC001621002500 1192779601 /nfs/dbraw/zinc/77/96/01/1192779601.db2.gz YJMNFYIBZFUTKF-DOQJBMMISA-N 1 0 318.486 3.266 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3nccs3)C1)CCC2 ZINC001331494027 1178226441 /nfs/dbraw/zinc/22/64/41/1178226441.db2.gz YZBGUOGQFKYVLW-CQSZACIVSA-N 1 0 300.427 3.327 20 10 DGCDRO COc1ccc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)cn1 ZINC001331531901 1178237140 /nfs/dbraw/zinc/23/71/40/1178237140.db2.gz JAWSWKZZWDVEIV-ZFWWWQNUSA-N 1 0 312.413 3.485 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC[C@H]1CCOC1=O ZINC001332276938 1178410688 /nfs/dbraw/zinc/41/06/88/1178410688.db2.gz LAFBRSBDCOSMFN-RDBSUJKOSA-N 1 0 303.402 3.182 20 10 DGCDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC001333763492 1178668795 /nfs/dbraw/zinc/66/87/95/1178668795.db2.gz FBKZFZBLVWXWTR-HNNXBMFYSA-N 1 0 316.401 3.388 20 10 DGCDRO Cc1cc(O)c(CN2CCO[C@](C)(C(F)F)C2)c(Cl)c1 ZINC001334057730 1178714236 /nfs/dbraw/zinc/71/42/36/1178714236.db2.gz LIDGSPNKDMXVFJ-AWEZNQCLSA-N 1 0 305.752 3.210 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2c(F)cccc2OC)c1O ZINC001335567702 1178931307 /nfs/dbraw/zinc/93/13/07/1178931307.db2.gz KSUZDVCQKALAOM-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO COC[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)C(C)C ZINC001335566007 1178931605 /nfs/dbraw/zinc/93/16/05/1178931605.db2.gz QDOQHNSBLSCHLL-GFCCVEGCSA-N 1 0 301.814 3.062 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCC[C@@H]1O ZINC001341944715 1179082980 /nfs/dbraw/zinc/08/29/80/1179082980.db2.gz KPYFMDXQPHOADB-HKUYNNGSSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCOC[C@H]1CCCO1 ZINC001342390784 1179137116 /nfs/dbraw/zinc/13/71/16/1179137116.db2.gz SCLOMFOMKGKWNA-RBSFLKMASA-N 1 0 305.418 3.034 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCOC12CCOCC2 ZINC001345124527 1179529958 /nfs/dbraw/zinc/52/99/58/1179529958.db2.gz VKFQCIOVBFCRAP-YCPHGPKFSA-N 1 0 317.429 3.177 20 10 DGCDRO O[C@H](CC[NH2+]Cc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC001351784473 1180248418 /nfs/dbraw/zinc/24/84/18/1180248418.db2.gz XAKFRKZVNXKBBW-LJQANCHMSA-N 1 0 302.462 3.318 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c(O)c1OC ZINC001351999213 1180276351 /nfs/dbraw/zinc/27/63/51/1180276351.db2.gz WWXQYVHDPNVYJG-VNHYZAJKSA-N 1 0 305.418 3.468 20 10 DGCDRO CCCN(Cc1nc(Br)c[nH]1)c1ccc(C[NH3+])cc1 ZINC001352021588 1180281142 /nfs/dbraw/zinc/28/11/42/1180281142.db2.gz DNAMLWZXNWHHCO-UHFFFAOYSA-N 1 0 323.238 3.048 20 10 DGCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC001621319064 1193023522 /nfs/dbraw/zinc/02/35/22/1193023522.db2.gz VXKOAIJVGIDJII-MRXNPFEDSA-N 1 0 320.433 3.191 20 10 DGCDRO CC[C@](O)(C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC001352739369 1180389505 /nfs/dbraw/zinc/38/95/05/1180389505.db2.gz DJBLZDAEECWOKH-FZMZJTMJSA-N 1 0 304.356 3.107 20 10 DGCDRO CCOCc1cc(C[NH2+]CCOC2CCCC2)ccc1OC ZINC001200223388 1180464443 /nfs/dbraw/zinc/46/44/43/1180464443.db2.gz IHFIFUYOPBOERV-UHFFFAOYSA-N 1 0 307.434 3.281 20 10 DGCDRO C[C@@H]([NH2+]CCOC1CCSCC1)c1ccc(N(C)C)cc1 ZINC001354626791 1180860849 /nfs/dbraw/zinc/86/08/49/1180860849.db2.gz NOWKAPMCNNGKGY-CQSZACIVSA-N 1 0 308.491 3.315 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC001474596802 1181593174 /nfs/dbraw/zinc/59/31/74/1181593174.db2.gz BKNSWJLEPNJMRY-ZIAGYGMSSA-N 1 0 322.449 3.482 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC001474596801 1181593490 /nfs/dbraw/zinc/59/34/90/1181593490.db2.gz BKNSWJLEPNJMRY-UONOGXRCSA-N 1 0 322.449 3.482 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2c(C)noc2C)ccc1OC ZINC001461166406 1182776554 /nfs/dbraw/zinc/77/65/54/1182776554.db2.gz ALQKJXJMDAOPRC-UHFFFAOYSA-N 1 0 318.417 3.169 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC001461181877 1182779514 /nfs/dbraw/zinc/77/95/14/1182779514.db2.gz ACGPZPXKGSERKW-OOFWQKGWSA-N 1 0 308.425 3.359 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cccc3nsnc32)n1 ZINC001461230920 1182783031 /nfs/dbraw/zinc/78/30/31/1182783031.db2.gz JSDKONRDCWRUMV-UHFFFAOYSA-N 1 0 322.484 3.420 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2c(C)ccnc2N)cc1 ZINC001462006497 1182895055 /nfs/dbraw/zinc/89/50/55/1182895055.db2.gz CLOOLXMNAITRIT-UHFFFAOYSA-N 1 0 312.461 3.450 20 10 DGCDRO CNc1ccccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001462048680 1182900849 /nfs/dbraw/zinc/90/08/49/1182900849.db2.gz CZRQXACTLLUJKN-UHFFFAOYSA-N 1 0 313.445 3.305 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001462211799 1182925069 /nfs/dbraw/zinc/92/50/69/1182925069.db2.gz WDZDYZOCRDDBQG-UHFFFAOYSA-N 1 0 305.761 3.122 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1 ZINC001462253423 1182928796 /nfs/dbraw/zinc/92/87/96/1182928796.db2.gz ZPSZRXKVQGPFGH-UHFFFAOYSA-N 1 0 318.461 3.396 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCc2cc(C)ccc2F)c1O ZINC001462248572 1182929311 /nfs/dbraw/zinc/92/93/11/1182929311.db2.gz QAZSTVKNMHPWEL-UHFFFAOYSA-N 1 0 303.377 3.489 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001462419222 1182950399 /nfs/dbraw/zinc/95/03/99/1182950399.db2.gz DYIKAENHGYXMRE-LNMJFAINSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c(O)c1 ZINC001462465992 1182956604 /nfs/dbraw/zinc/95/66/04/1182956604.db2.gz HOWGLLBABJPIES-OAHLLOKOSA-N 1 0 307.434 3.346 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CC[C@@H]2COC(C)(C)O2)C2CC2)cc1 ZINC001473114797 1183717533 /nfs/dbraw/zinc/71/75/33/1183717533.db2.gz HQCZPBNQGXJHLT-GOSISDBHSA-N 1 0 318.461 3.259 20 10 DGCDRO Cc1cc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)ccc1N(C)C ZINC001653490096 1195728272 /nfs/dbraw/zinc/72/82/72/1195728272.db2.gz CNSRHURIIOAPJJ-IBGZPJMESA-N 1 0 304.478 3.434 20 10 DGCDRO CCc1cnc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC001474030635 1183853776 /nfs/dbraw/zinc/85/37/76/1183853776.db2.gz KEPYWSWWTBZMMW-UHFFFAOYSA-N 1 0 307.438 3.243 20 10 DGCDRO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001474230273 1183886553 /nfs/dbraw/zinc/88/65/53/1183886553.db2.gz MLTXEJYWCZHZMH-QZTJIDSGSA-N 1 0 302.462 3.316 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3(C(C)C)CC3)CC2)cc1F ZINC001474331292 1183904878 /nfs/dbraw/zinc/90/48/78/1183904878.db2.gz RIVCJSDUVXFWKL-UHFFFAOYSA-N 1 0 306.425 3.393 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2cc(C(C)C)ccc2O)CCC1 ZINC001474388556 1183914355 /nfs/dbraw/zinc/91/43/55/1183914355.db2.gz NKNYSQZNBCIVJR-UHFFFAOYSA-N 1 0 305.418 3.339 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H](C)c2ccccc2)cc1OC ZINC001474424420 1183919538 /nfs/dbraw/zinc/91/95/38/1183919538.db2.gz WIQDFSQFOUFWAY-ZDUSSCGKSA-N 1 0 301.386 3.303 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001474435227 1183922370 /nfs/dbraw/zinc/92/23/70/1183922370.db2.gz BPTWHYDWBVUBFO-CHWSQXEVSA-N 1 0 324.415 3.413 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC001474506520 1183932714 /nfs/dbraw/zinc/93/27/14/1183932714.db2.gz CWVMRLFMZNDAFG-PLNGDYQASA-N 1 0 324.424 3.342 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1O ZINC001474542913 1183938092 /nfs/dbraw/zinc/93/80/92/1183938092.db2.gz UZXBXYWTAJKNOM-LLVKDONJSA-N 1 0 311.731 3.493 20 10 DGCDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001474573107 1183943620 /nfs/dbraw/zinc/94/36/20/1183943620.db2.gz UDTNCQVKRJQVQJ-SUMWQHHRSA-N 1 0 324.415 3.470 20 10 DGCDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1F ZINC001474611732 1183949888 /nfs/dbraw/zinc/94/98/88/1183949888.db2.gz PXAWDZTTZRMBIG-HWPZZCPQSA-N 1 0 309.768 3.396 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC(C)(C)CC[C@@H]2CO)cc1 ZINC001474682212 1183960832 /nfs/dbraw/zinc/96/08/32/1183960832.db2.gz ULQLJUYXECFBHZ-OOFWQKGWSA-N 1 0 302.462 3.249 20 10 DGCDRO CN(C)c1ccc(/C=C/CN(C)CC(C)(C)C[NH+](C)C)cc1 ZINC001474741339 1183971248 /nfs/dbraw/zinc/97/12/48/1183971248.db2.gz UDVAZVXOBURLFQ-CMDGGOBGSA-N 1 0 303.494 3.285 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)CC(C)C)C2CC2)cc1C ZINC001480001041 1184408698 /nfs/dbraw/zinc/40/86/98/1184408698.db2.gz ZCIUXSXMTQFQJS-QGZVFWFLSA-N 1 0 318.461 3.034 20 10 DGCDRO CCCC1(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001493689735 1184726265 /nfs/dbraw/zinc/72/62/65/1184726265.db2.gz QSHZDPOSVYYHTG-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(C)cc1O ZINC001609194790 1193329572 /nfs/dbraw/zinc/32/95/72/1193329572.db2.gz NXRWMIWIRKHVKF-MRXNPFEDSA-N 1 0 323.400 3.122 20 10 DGCDRO C[C@H](CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)[NH+]1CCCCC1 ZINC001609779462 1193356486 /nfs/dbraw/zinc/35/64/86/1193356486.db2.gz PSQCXRKDCRFTIZ-ZIAGYGMSSA-N 1 0 320.433 3.006 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2CCC2)cc1C ZINC001506909805 1186310712 /nfs/dbraw/zinc/31/07/12/1186310712.db2.gz WOYUDERRKJVYND-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(N2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000008675510 1193438931 /nfs/dbraw/zinc/43/89/31/1193438931.db2.gz FKHSXRRVLWUOFF-UHFFFAOYSA-N 1 0 310.441 3.450 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001545505091 1188432599 /nfs/dbraw/zinc/43/25/99/1188432599.db2.gz TZLPSBKNJDLCMT-RDJZCZTQSA-N 1 0 318.461 3.251 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]C3CCCCCC3)cc2F)CC1 ZINC001560253709 1189300402 /nfs/dbraw/zinc/30/04/02/1189300402.db2.gz AWZIBINFWUPOID-UHFFFAOYSA-N 1 0 319.468 3.390 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CC1CCCC1 ZINC001560454540 1189330575 /nfs/dbraw/zinc/33/05/75/1189330575.db2.gz BWLMPGHHSJEYQU-QGZVFWFLSA-N 1 0 303.446 3.290 20 10 DGCDRO CC(C)C[C@@H](CN(C)C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001560612050 1189347991 /nfs/dbraw/zinc/34/79/91/1189347991.db2.gz VHCWHTIPSXRPRD-DVBCCOPCSA-N 1 0 303.494 3.332 20 10 DGCDRO COc1ccc(C[C@H]2CC[N@@H+]2Cc2cc(F)ccc2O)cc1 ZINC001560671953 1189357596 /nfs/dbraw/zinc/35/75/96/1189357596.db2.gz SSVQONBXRZCFQK-MRXNPFEDSA-N 1 0 301.361 3.357 20 10 DGCDRO CCc1ncc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001560815959 1189387275 /nfs/dbraw/zinc/38/72/75/1189387275.db2.gz XNVYKTLVOWZCDB-UHFFFAOYSA-N 1 0 310.445 3.271 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1Cl ZINC001560909035 1189404348 /nfs/dbraw/zinc/40/43/48/1189404348.db2.gz IWSMRGQRDGNSMQ-JKSUJKDBSA-N 1 0 308.853 3.461 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(O)c1 ZINC001560951382 1189410726 /nfs/dbraw/zinc/41/07/26/1189410726.db2.gz GIBPXYUOWYZLEH-UHFFFAOYSA-N 1 0 315.417 3.017 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)cc1Cl ZINC001561014872 1189420196 /nfs/dbraw/zinc/42/01/96/1189420196.db2.gz FIQUPRUOOJCZTG-QGZVFWFLSA-N 1 0 323.795 3.490 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@]2(C)CCCS2)N(C)C)cc1 ZINC001561040005 1189424745 /nfs/dbraw/zinc/42/47/45/1189424745.db2.gz IKHGTYRLHFZVNE-MSOLQXFVSA-N 1 0 321.534 3.231 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CC(C)C)C2)cc1C ZINC001565858946 1189693764 /nfs/dbraw/zinc/69/37/64/1189693764.db2.gz VJZBSHNHGKMNOS-QAQDUYKDSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001619655968 1193760042 /nfs/dbraw/zinc/76/00/42/1193760042.db2.gz CKNVPQCDUWBYTN-AYGBPOKTSA-N 1 0 324.415 3.355 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCN(C)c3ccccc3C2)c(O)c1 ZINC001621178494 1193813330 /nfs/dbraw/zinc/81/33/30/1193813330.db2.gz KYAQZXWFOTVERG-UHFFFAOYSA-N 1 0 312.413 3.161 20 10 DGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC001621287870 1193826494 /nfs/dbraw/zinc/82/64/94/1193826494.db2.gz OQBHWWYGRRNTTN-GOSISDBHSA-N 1 0 307.434 3.490 20 10 DGCDRO CC[C@](C)(C(=O)OC)[N@@H+](Cc1ccc(C)cc1O)CC1CC1 ZINC001621403113 1193838299 /nfs/dbraw/zinc/83/82/99/1193838299.db2.gz QDUZDPWZKVBUAY-GOSISDBHSA-N 1 0 305.418 3.254 20 10 DGCDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2cc(C(C)C)ccc2O)C1 ZINC001621513027 1193852062 /nfs/dbraw/zinc/85/20/62/1193852062.db2.gz BAIIBSGXZIELNZ-CYBMUJFWSA-N 1 0 305.418 3.147 20 10 DGCDRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC001633315839 1194431886 /nfs/dbraw/zinc/43/18/86/1194431886.db2.gz YAHMBQQMFHKLPD-OAHLLOKOSA-N 1 0 317.477 3.194 20 10 DGCDRO Fc1cc(C[NH2+]CC(C2CC2)C2CC2)ccc1N1CCOCC1 ZINC001647034359 1195241383 /nfs/dbraw/zinc/24/13/83/1195241383.db2.gz NEORTQORBUUUAK-UHFFFAOYSA-N 1 0 318.436 3.188 20 10 DGCDRO C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001647040762 1195242922 /nfs/dbraw/zinc/24/29/22/1195242922.db2.gz WVMARBMLLVYZSB-QWHCGFSZSA-N 1 0 300.805 3.147 20 10 DGCDRO O=C(NCc1c(O)ccc2ccccc21)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001647794931 1195253393 /nfs/dbraw/zinc/25/33/93/1195253393.db2.gz USUAYJIPOJFESX-CRAIPNDOSA-N 1 0 324.424 3.179 20 10 DGCDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001648702851 1195324155 /nfs/dbraw/zinc/32/41/55/1195324155.db2.gz JDYTXQPNMXXFCM-QAPCUYQASA-N 1 0 319.468 3.246 20 10 DGCDRO NC(=O)Nc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001648759375 1195328341 /nfs/dbraw/zinc/32/83/41/1195328341.db2.gz CRHKCPJTXMELGN-UHFFFAOYSA-N 1 0 324.428 3.067 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cccc3c[nH]nc32)n1 ZINC001650257426 1195360792 /nfs/dbraw/zinc/36/07/92/1195360792.db2.gz YPCGCESDFHUPKQ-UHFFFAOYSA-N 1 0 304.444 3.291 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC001650707591 1195374498 /nfs/dbraw/zinc/37/44/98/1195374498.db2.gz DSDVNXLEAKKQQZ-PMACEKPBSA-N 1 0 306.409 3.235 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H](O)Cc1ccccc1 ZINC001650806860 1195384066 /nfs/dbraw/zinc/38/40/66/1195384066.db2.gz AQHIWOWUFSPNLE-DYESRHJHSA-N 1 0 324.468 3.369 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CC2(C)C)cc1Cn1cccn1 ZINC001651486936 1195468701 /nfs/dbraw/zinc/46/87/01/1195468701.db2.gz PSZXFIWMTXRXNL-LJQANCHMSA-N 1 0 313.445 3.466 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CCO)C2CCCC2)cc1F ZINC001651617410 1195486500 /nfs/dbraw/zinc/48/65/00/1195486500.db2.gz NTSPVDHTYJWDTP-MRXNPFEDSA-N 1 0 312.404 3.062 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)CCOc2ccccc2F)c(O)c1 ZINC001652067116 1195543769 /nfs/dbraw/zinc/54/37/69/1195543769.db2.gz WFFOLRLJWZADMH-UHFFFAOYSA-N 1 0 319.376 3.359 20 10 DGCDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC001652474665 1195604559 /nfs/dbraw/zinc/60/45/59/1195604559.db2.gz MTTNPCVRNYPVSD-QZTJIDSGSA-N 1 0 302.462 3.450 20 10 DGCDRO COC1([C@H](C)[NH2+]Cc2cc(C(C)C)ccc2O)CCOCC1 ZINC001652685232 1195636937 /nfs/dbraw/zinc/63/69/37/1195636937.db2.gz XLSNIJWJDYMFRC-AWEZNQCLSA-N 1 0 307.434 3.189 20 10 DGCDRO CCc1cccc(NC(=O)C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001652702312 1195638792 /nfs/dbraw/zinc/63/87/92/1195638792.db2.gz UOXLVXZPKMGKRS-UHFFFAOYSA-N 1 0 324.424 3.302 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC001652759979 1195647284 /nfs/dbraw/zinc/64/72/84/1195647284.db2.gz QRBXRYCGNSBQGP-UHFFFAOYSA-N 1 0 303.749 3.319 20 10 DGCDRO Cc1ccc(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)c(O)c1 ZINC001652753999 1195647957 /nfs/dbraw/zinc/64/79/57/1195647957.db2.gz FBPFFARWEUWAKI-FQEVSTJZSA-N 1 0 310.441 3.455 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001652759991 1195648024 /nfs/dbraw/zinc/64/80/24/1195648024.db2.gz QYXDQWKVUPLVDP-UHFFFAOYSA-N 1 0 314.776 3.121 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)N(C)C)cc1 ZINC001653221788 1195700362 /nfs/dbraw/zinc/70/03/62/1195700362.db2.gz BIKYCRHUNJMKFM-QXCFHYIPSA-N 1 0 301.478 3.134 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1 ZINC001654650721 1195827157 /nfs/dbraw/zinc/82/71/57/1195827157.db2.gz WGNHZTKAUFCPQN-IBGZPJMESA-N 1 0 318.461 3.306 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1c(F)cccc1F ZINC001655349830 1195906781 /nfs/dbraw/zinc/90/67/81/1195906781.db2.gz VBBPRCSMGRMUIS-WDEREUQCSA-N 1 0 320.339 3.348 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)c1ccccc1F ZINC001656177749 1196014813 /nfs/dbraw/zinc/01/48/13/1196014813.db2.gz VOFFSOOSNNWQCJ-LJQANCHMSA-N 1 0 312.388 3.449 20 10 DGCDRO CNC(=O)c1cccc(C[NH2+]Cc2c(C)c3ccccc3n2C)c1 ZINC001656220158 1196019228 /nfs/dbraw/zinc/01/92/28/1196019228.db2.gz SBPLQVPORDCROL-UHFFFAOYSA-N 1 0 321.424 3.136 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1c(F)cccc1Cl ZINC001656583349 1196052102 /nfs/dbraw/zinc/05/21/02/1196052102.db2.gz JNSKHSJGCXLZKN-HNNXBMFYSA-N 1 0 321.779 3.237 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2(CO)CCCCCCC2)cc1F ZINC001656814130 1196073354 /nfs/dbraw/zinc/07/33/54/1196073354.db2.gz MNMPHYQKKVKGOP-UHFFFAOYSA-N 1 0 308.441 3.457 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCc2ccns2)C2CC2)cc1 ZINC001657023443 1196094236 /nfs/dbraw/zinc/09/42/36/1196094236.db2.gz CGYXTELNJDETTQ-UHFFFAOYSA-N 1 0 301.459 3.416 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCCN2C)cc1F ZINC001657082138 1196102333 /nfs/dbraw/zinc/10/23/33/1196102333.db2.gz OSMAQYSKLTTXSK-INIZCTEOSA-N 1 0 307.457 3.246 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)ccc1OC ZINC001657371823 1196134430 /nfs/dbraw/zinc/13/44/30/1196134430.db2.gz FWPYMGFFCJICOV-OALUTQOASA-N 1 0 321.461 3.263 20 10 DGCDRO CCC[N@H+](Cc1cc(C)cc(OC)c1O)[C@H](CC)C(=O)OCC ZINC001657761417 1196175491 /nfs/dbraw/zinc/17/54/91/1196175491.db2.gz HHWBUHIJBOQQBA-OAHLLOKOSA-N 1 0 323.433 3.263 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC001658070079 1196208785 /nfs/dbraw/zinc/20/87/85/1196208785.db2.gz VQDYZYPTCZBQOW-HXUWFJFHSA-N 1 0 312.457 3.447 20 10 DGCDRO Cn1nccc1C1=CC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001658077983 1196209588 /nfs/dbraw/zinc/20/95/88/1196209588.db2.gz UOWJEANHEUUZBX-UHFFFAOYSA-N 1 0 303.793 3.068 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c(O)c1 ZINC001658335053 1196243143 /nfs/dbraw/zinc/24/31/43/1196243143.db2.gz GWOHVYUZIOIHRX-QGZVFWFLSA-N 1 0 307.459 3.428 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@]2(OC)CCSC2)cc1C ZINC001658644082 1196284633 /nfs/dbraw/zinc/28/46/33/1196284633.db2.gz KFHGQZCXXFBPCB-KRWDZBQOSA-N 1 0 309.475 3.396 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)cc1F ZINC001658690651 1196289662 /nfs/dbraw/zinc/28/96/62/1196289662.db2.gz ZERXUAZEYILYJD-HNNXBMFYSA-N 1 0 306.425 3.473 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1 ZINC001658876276 1196313249 /nfs/dbraw/zinc/31/32/49/1196313249.db2.gz BSHQKXXAVWTIKU-SJORKVTESA-N 1 0 317.429 3.086 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC001658876273 1196314033 /nfs/dbraw/zinc/31/40/33/1196314033.db2.gz BSHQKXXAVWTIKU-DLBZAZTESA-N 1 0 317.429 3.086 20 10 DGCDRO CCOC(=O)CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC001659144428 1196351616 /nfs/dbraw/zinc/35/16/16/1196351616.db2.gz GIZDKXUAFLWTIR-AATRIKPKSA-N 1 0 316.445 3.183 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC001659414461 1196380637 /nfs/dbraw/zinc/38/06/37/1196380637.db2.gz KDGUMPVKRCFGGG-OAHLLOKOSA-N 1 0 320.477 3.471 20 10 DGCDRO CO[C@H](C)C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001659723606 1196408672 /nfs/dbraw/zinc/40/86/72/1196408672.db2.gz OXKOOTRMAFVMPK-OAHLLOKOSA-N 1 0 302.418 3.383 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(C(=O)OC(C)(C)C)C2)c1 ZINC001659719704 1196409071 /nfs/dbraw/zinc/40/90/71/1196409071.db2.gz PJGVYTQBYSDZEK-PNESKVBLSA-N 1 0 321.417 3.172 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1 ZINC001659826421 1196418040 /nfs/dbraw/zinc/41/80/40/1196418040.db2.gz ADEGYIHLPBLMTA-MRXNPFEDSA-N 1 0 320.433 3.178 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC001659855675 1196422330 /nfs/dbraw/zinc/42/23/30/1196422330.db2.gz MJJCSCWMGIVHQL-YRLOJYSSSA-N 1 0 302.487 3.451 20 10 DGCDRO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001659941821 1196430800 /nfs/dbraw/zinc/43/08/00/1196430800.db2.gz GYMQMTJWSCVVFY-MRXNPFEDSA-N 1 0 318.461 3.254 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)c(O)c1 ZINC001659952184 1196431684 /nfs/dbraw/zinc/43/16/84/1196431684.db2.gz LAZMITWHJACKPF-LPHOPBHVSA-N 1 0 310.441 3.453 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC(C)(C)C2CCOCC2)c(O)c1 ZINC001660092128 1196444142 /nfs/dbraw/zinc/44/41/42/1196444142.db2.gz MQVJUPBFKALOHZ-UHFFFAOYSA-N 1 0 307.434 3.252 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(O)c1 ZINC001660109592 1196445932 /nfs/dbraw/zinc/44/59/32/1196445932.db2.gz JDGOMIPPQAKESW-RHSMWYFYSA-N 1 0 305.418 3.100 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(O)c1 ZINC001660109593 1196447293 /nfs/dbraw/zinc/44/72/93/1196447293.db2.gz JDGOMIPPQAKESW-WMLDXEAASA-N 1 0 305.418 3.100 20 10 DGCDRO Cc1cc(CC[NH2+][C@@H]2C[C@@H]3COC[C@H]23)c(C)n1-c1ccccc1 ZINC001660413586 1196481229 /nfs/dbraw/zinc/48/12/29/1196481229.db2.gz YNISWORQMHMEDS-YZGWKJHDSA-N 1 0 310.441 3.261 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2ccc3cccnc3c2)cc1OC ZINC001660472917 1196487279 /nfs/dbraw/zinc/48/72/79/1196487279.db2.gz VSZRYGYZTNOTPO-UHFFFAOYSA-N 1 0 324.380 3.247 20 10 DGCDRO Oc1cccc2c1CN(Cc1ccc3c(c1)OCCCCO3)C2 ZINC001660549760 1196496087 /nfs/dbraw/zinc/49/60/87/1196496087.db2.gz JJWPMCQXCTZIOV-UHFFFAOYSA-N 1 0 311.381 3.459 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001660841978 1196533110 /nfs/dbraw/zinc/53/31/10/1196533110.db2.gz SCBPCTOJCWJVQV-CRAIPNDOSA-N 1 0 317.816 3.081 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2cc(OC)cc(OC)c2)c1O ZINC001660928442 1196543721 /nfs/dbraw/zinc/54/37/21/1196543721.db2.gz AFQCQKRAXQUEBX-UHFFFAOYSA-N 1 0 315.413 3.304 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H](C)Cn2cccn2)cc1C ZINC001661047231 1196558634 /nfs/dbraw/zinc/55/86/34/1196558634.db2.gz UBVANDJNXINQLC-HNNXBMFYSA-N 1 0 301.434 3.406 20 10 DGCDRO Brc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC001661223830 1196583755 /nfs/dbraw/zinc/58/37/55/1196583755.db2.gz DGHOXXLACFJRON-UHFFFAOYSA-N 1 0 319.202 3.069 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCCc2nc(C)no2)cc1F ZINC001661363324 1196598370 /nfs/dbraw/zinc/59/83/70/1196598370.db2.gz KFCAGTFIFJXUHQ-UHFFFAOYSA-N 1 0 320.412 3.086 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](COC)[C@H]2CCCO2)cc1C ZINC001662332311 1196708857 /nfs/dbraw/zinc/70/88/57/1196708857.db2.gz HFTHLICQQXSBQH-SJLPKXTDSA-N 1 0 307.434 3.067 20 10 DGCDRO CCN(CC)c1ccc(CN[C@H](C)C[N@H+](C)C(C)C)cc1F ZINC001662391056 1196715716 /nfs/dbraw/zinc/71/57/16/1196715716.db2.gz FWTUWOUDZFWHMB-OAHLLOKOSA-N 1 0 309.473 3.490 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@@H](C4)C3)C2)cc1 ZINC001662841135 1196760015 /nfs/dbraw/zinc/76/00/15/1196760015.db2.gz BKXSPHDZFLBKBQ-YVSFHVDLSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1cc(C)c(CN2CC[NH+](CCC(C)(C)C)CC2)c(O)c1 ZINC001663658043 1196922907 /nfs/dbraw/zinc/92/29/07/1196922907.db2.gz YEJNPTKOEHEUFY-UHFFFAOYSA-N 1 0 320.477 3.263 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(F)c1N ZINC001664114653 1196972772 /nfs/dbraw/zinc/97/27/72/1196972772.db2.gz UBYBLOXIJPTPMJ-UHFFFAOYSA-N 1 0 301.409 3.496 20 10 DGCDRO CCC[C@@]1(CO)CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001664518436 1197009379 /nfs/dbraw/zinc/00/93/79/1197009379.db2.gz FHMOPXZQTPWZGL-XZXOBPBMSA-N 1 0 302.462 3.393 20 10 DGCDRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001665479106 1197141934 /nfs/dbraw/zinc/14/19/34/1197141934.db2.gz CAXJNUVMGFQNIK-MRXNPFEDSA-N 1 0 302.805 3.322 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1F ZINC001665471855 1197142003 /nfs/dbraw/zinc/14/20/03/1197142003.db2.gz YHLXZTHZHYUYCQ-DGCLKSJQSA-N 1 0 312.429 3.216 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(C(C)C)ccc1O)[C@H]1CCCOC1 ZINC001665672693 1197169146 /nfs/dbraw/zinc/16/91/46/1197169146.db2.gz MEKYWMQGWJUEMS-RDJZCZTQSA-N 1 0 307.434 3.047 20 10 DGCDRO C[C@](CO)([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000322491463 1197688143 /nfs/dbraw/zinc/68/81/43/1197688143.db2.gz OVEMVZLIEBWLLH-HXUWFJFHSA-N 1 0 310.441 3.284 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCc1nnc2ccccn21 ZINC000323914137 1197691719 /nfs/dbraw/zinc/69/17/19/1197691719.db2.gz GSRFIUGLPJUKOG-UONOGXRCSA-N 1 0 322.412 3.124 20 10 DGCDRO OC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCCCC1 ZINC000315792717 1199810199 /nfs/dbraw/zinc/81/01/99/1199810199.db2.gz AVRIMSRACVVWGF-UHFFFAOYSA-N 1 0 302.462 3.462 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(C)CCCC2)cc1C ZINC001754277648 1200168465 /nfs/dbraw/zinc/16/84/65/1200168465.db2.gz RFTYZWDXPLMHIW-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC2CCC2)cc1C ZINC001700743563 1202346827 /nfs/dbraw/zinc/34/68/27/1202346827.db2.gz IXENETOLYFXCBQ-OAHLLOKOSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C2CC(C)C2)cc1C ZINC001714463324 1202949634 /nfs/dbraw/zinc/94/96/34/1202949634.db2.gz BGWMNLYNBOSURJ-GNHJJJEISA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@@H](CNC(=O)C1=CCCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715052280 1203256210 /nfs/dbraw/zinc/25/62/10/1203256210.db2.gz OBDLSZDRVJOACL-KRWDZBQOSA-N 1 0 316.445 3.098 20 10 DGCDRO CC/C(C)=C/C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716291166 1203457709 /nfs/dbraw/zinc/45/77/09/1203457709.db2.gz LBIHXQIDHVPDQY-HCVZKXNCSA-N 1 0 316.445 3.122 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC000183477464 1204346713 /nfs/dbraw/zinc/34/67/13/1204346713.db2.gz WTWUPFIHGQQABD-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO CCCC(=O)N[C@@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001732238544 1204766391 /nfs/dbraw/zinc/76/63/91/1204766391.db2.gz HTOIWKVCHOYRSV-IBGZPJMESA-N 1 0 318.461 3.178 20 10 DGCDRO C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593267694 994591439 /nfs/dbraw/zinc/59/14/39/994591439.db2.gz RAPALNWJVLTPSJ-KBPBESRZSA-N 1 0 320.433 3.006 20 10 DGCDRO CS[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC001183145397 1083879733 /nfs/dbraw/zinc/87/97/33/1083879733.db2.gz IHCQIRIHQHVIOP-HAQNSBGRSA-N 1 0 316.264 3.447 20 10 DGCDRO CCOC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001169665450 1081623638 /nfs/dbraw/zinc/62/36/38/1081623638.db2.gz YXDOQTGEOAOXMJ-MRXNPFEDSA-N 1 0 320.433 3.104 20 10 DGCDRO CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H](C)C(=O)OCC ZINC001169932978 1081679295 /nfs/dbraw/zinc/67/92/95/1081679295.db2.gz FVOUOUNKJOERSL-OAHLLOKOSA-N 1 0 306.450 3.225 20 10 DGCDRO CC1(C)CC([NH2+]Cc2ccc3c(c2)CCO3)CC(C)(C)N1O ZINC001169972623 1081743352 /nfs/dbraw/zinc/74/33/52/1081743352.db2.gz AXTNMERCEVAQCI-UHFFFAOYSA-N 1 0 304.434 3.122 20 10 DGCDRO Oc1ccc(F)cc1CN1CC[NH+](CC2CCCCC2)CC1 ZINC001140057824 1081775816 /nfs/dbraw/zinc/77/58/16/1081775816.db2.gz PFJSUQIMGPBVLY-UHFFFAOYSA-N 1 0 306.425 3.229 20 10 DGCDRO Oc1ccc(CNc2cc(C[NH+]3CCCCC3)ccn2)cc1O ZINC001169990105 1081791883 /nfs/dbraw/zinc/79/18/83/1081791883.db2.gz ASPJBRHGXSXXGM-UHFFFAOYSA-N 1 0 313.401 3.091 20 10 DGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2O)O1 ZINC000691464846 1081849815 /nfs/dbraw/zinc/84/98/15/1081849815.db2.gz GPMVQYGLVHUGOT-ZWNOBZJWSA-N 1 0 314.223 3.202 20 10 DGCDRO COCCC(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000691487700 1081923476 /nfs/dbraw/zinc/92/34/76/1081923476.db2.gz HTPUUDYIRRIIHF-UHFFFAOYSA-N 1 0 316.239 3.307 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC001140178349 1081936229 /nfs/dbraw/zinc/93/62/29/1081936229.db2.gz JDGLEGUJSDXFDR-HNNXBMFYSA-N 1 0 317.351 3.288 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001140178533 1081936869 /nfs/dbraw/zinc/93/68/69/1081936869.db2.gz NQZCCWBXKNNRFC-IUODEOHRSA-N 1 0 317.351 3.144 20 10 DGCDRO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C[NH+]1CCCC1 ZINC001648832649 1081938026 /nfs/dbraw/zinc/93/80/26/1081938026.db2.gz GJDZCAULWREZIF-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO CCc1cccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426876 1082097658 /nfs/dbraw/zinc/09/76/58/1082097658.db2.gz MQKXMQFGGSHEQB-UHFFFAOYSA-N 1 0 310.445 3.008 20 10 DGCDRO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(Cl)cc2O)c1 ZINC001140465214 1082272887 /nfs/dbraw/zinc/27/28/87/1082272887.db2.gz IMMAYAHCGFETQQ-UHFFFAOYSA-N 1 0 319.788 3.464 20 10 DGCDRO CCC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266968443 1082387776 /nfs/dbraw/zinc/38/77/76/1082387776.db2.gz VPZLHEZVPMAENX-AWEZNQCLSA-N 1 0 306.450 3.034 20 10 DGCDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001648914657 1082420450 /nfs/dbraw/zinc/42/04/50/1082420450.db2.gz WZVXPLKZHCFKQL-JJEILDCCSA-N 1 0 315.505 3.476 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@H](C)C2)cc1C ZINC001133077258 1083046287 /nfs/dbraw/zinc/04/62/87/1083046287.db2.gz SGKNSQUMFFUXBA-WMLDXEAASA-N 1 0 318.461 3.036 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)cc1O ZINC001170676226 1083082232 /nfs/dbraw/zinc/08/22/32/1083082232.db2.gz XDNWAMFNKXPYDH-ZDUSSCGKSA-N 1 0 305.324 3.023 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@]2(C)CCC[C@H]2C)cc1C ZINC001133444771 1083127084 /nfs/dbraw/zinc/12/70/84/1083127084.db2.gz ZKINSGPCLMXTMQ-DNVCBOLYSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C=C(C)C)cc1C ZINC001133587185 1083157715 /nfs/dbraw/zinc/15/77/15/1083157715.db2.gz RWTUUHAOSVQFDA-CVEARBPZSA-N 1 0 318.461 3.343 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)CCC[C@@]1(C)O ZINC001140921314 1083182446 /nfs/dbraw/zinc/18/24/46/1083182446.db2.gz ATCGNXMNRJPLTG-SUMWQHHRSA-N 1 0 310.869 3.389 20 10 DGCDRO CC1(C)[C@@H]2C[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC001170713196 1083212821 /nfs/dbraw/zinc/21/28/21/1083212821.db2.gz NSOFUVDQBFNNKC-VBUUOAMHSA-N 1 0 300.446 3.047 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2c(O)cc(OC)cc2OC)c1 ZINC001141026834 1083270345 /nfs/dbraw/zinc/27/03/45/1083270345.db2.gz FLNLTAKXNBISMZ-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO CC[C@H](CNC(=O)C=C1CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267800958 1083355208 /nfs/dbraw/zinc/35/52/08/1083355208.db2.gz ITXKEFRDDTUSTP-QGZVFWFLSA-N 1 0 316.445 3.098 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1 ZINC001182872520 1083825865 /nfs/dbraw/zinc/82/58/65/1083825865.db2.gz CYKSZCQABNBXDR-QGZVFWFLSA-N 1 0 324.424 3.193 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(C)oc2C)cc1 ZINC001206545447 1083838829 /nfs/dbraw/zinc/83/88/29/1083838829.db2.gz VOXLHFHWMQKJHK-UHFFFAOYSA-N 1 0 302.418 3.473 20 10 DGCDRO C[C@]1([NH3+])CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001205254989 1083874232 /nfs/dbraw/zinc/87/42/32/1083874232.db2.gz DDZAHDTZMIFKSR-AWEZNQCLSA-N 1 0 303.233 3.402 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]CCc1nc2c(s1)CCC2 ZINC001183738143 1084013200 /nfs/dbraw/zinc/01/32/00/1084013200.db2.gz FFZMIIKNYYYXHL-UHFFFAOYSA-N 1 0 308.834 3.323 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCn2cnc3ccccc32)c(Cl)c1 ZINC001648935322 1084125561 /nfs/dbraw/zinc/12/55/61/1084125561.db2.gz GBQMRRLZJFRXMY-UHFFFAOYSA-N 1 0 315.804 3.494 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2N(C)C)cc1F ZINC001648964702 1086488007 /nfs/dbraw/zinc/48/80/07/1086488007.db2.gz CKIQLZALNPTYOD-UHFFFAOYSA-N 1 0 301.409 3.248 20 10 DGCDRO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)ccc1O ZINC001272623241 1088330747 /nfs/dbraw/zinc/33/07/47/1088330747.db2.gz YGBMFKDAACIEJC-IAGOWNOFSA-N 1 0 316.445 3.066 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)CC2CCCC2)cc1C ZINC001154277532 1088545603 /nfs/dbraw/zinc/54/56/03/1088545603.db2.gz ABZLUEUANICUQD-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO CCC(CC)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001154834960 1088783147 /nfs/dbraw/zinc/78/31/47/1088783147.db2.gz MOZITLUBRIIQRW-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO CC[C@@H](C(=O)NCc1c(O)ccc2ccccc21)[NH+](CC)CC ZINC001157041382 1089797636 /nfs/dbraw/zinc/79/76/36/1089797636.db2.gz FVMCTHPVYXQITH-KRWDZBQOSA-N 1 0 314.429 3.282 20 10 DGCDRO COC(=O)[C@H](C(C)C)N(C)Cc1cc(Cl)c(Cl)cc1O ZINC001236799257 1089902636 /nfs/dbraw/zinc/90/26/36/1089902636.db2.gz MZHDHABHRRHLAS-ZDUSSCGKSA-N 1 0 320.216 3.328 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C1([NH3+])CCCC1 ZINC001157435806 1089965991 /nfs/dbraw/zinc/96/59/91/1089965991.db2.gz WGCZXWLKZQSRPM-INIZCTEOSA-N 1 0 316.445 3.020 20 10 DGCDRO CCC(=O)N(C)CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001485428436 1090157252 /nfs/dbraw/zinc/15/72/52/1090157252.db2.gz ZWVOVWQTOVVWRR-KRWDZBQOSA-N 1 0 320.477 3.376 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)CC(C)=C(C)C)cc1C ZINC001164043563 1090324646 /nfs/dbraw/zinc/32/46/46/1090324646.db2.gz BFCCOXPHOCVRQU-UHFFFAOYSA-N 1 0 318.461 3.346 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000715667233 1090676406 /nfs/dbraw/zinc/67/64/06/1090676406.db2.gz LKWJVKDXLYEJAV-KRWDZBQOSA-N 1 0 316.445 3.062 20 10 DGCDRO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC001203556458 1090754322 /nfs/dbraw/zinc/75/43/22/1090754322.db2.gz PVUQOIWMMHWPFB-HNNXBMFYSA-N 1 0 320.433 3.224 20 10 DGCDRO NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC001203558501 1090755762 /nfs/dbraw/zinc/75/57/62/1090755762.db2.gz LFKVYTHCNJZIKO-HKUYNNGSSA-N 1 0 324.424 3.016 20 10 DGCDRO O=C1c2ccccc2CN1C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203561340 1090756957 /nfs/dbraw/zinc/75/69/57/1090756957.db2.gz QXCGEIFRYLWXFG-UHFFFAOYSA-N 1 0 322.408 3.013 20 10 DGCDRO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccccc1O ZINC001203561711 1090757179 /nfs/dbraw/zinc/75/71/79/1090757179.db2.gz YJHKDAJWZBXCOC-DZGCQCFKSA-N 1 0 320.433 3.270 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c1O ZINC001203595807 1090764515 /nfs/dbraw/zinc/76/45/15/1090764515.db2.gz NUTUOYDWMHKURY-KRWDZBQOSA-N 1 0 313.397 3.192 20 10 DGCDRO CCOc1cccc(CN2CCCC[C@@H]2C[NH+]2CCCC2)c1O ZINC001203608983 1090766312 /nfs/dbraw/zinc/76/63/12/1090766312.db2.gz DNZWDNXWGRUCBY-QGZVFWFLSA-N 1 0 318.461 3.241 20 10 DGCDRO CCOc1cccc(C[N@H+](C)CCc2cccc(OC)c2)c1O ZINC001203608936 1090766407 /nfs/dbraw/zinc/76/64/07/1090766407.db2.gz BIBPOGQILDMSLB-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC001203651789 1090773788 /nfs/dbraw/zinc/77/37/88/1090773788.db2.gz VMNGSBIFVYGAEE-VXGBXAGGSA-N 1 0 323.742 3.181 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001203657353 1090774514 /nfs/dbraw/zinc/77/45/14/1090774514.db2.gz CUVJWTCKINBCDX-FUHWJXTLSA-N 1 0 317.816 3.224 20 10 DGCDRO Cc1cccc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665691 1090775539 /nfs/dbraw/zinc/77/55/39/1090775539.db2.gz UKFGSAAOTLPDII-HNNXBMFYSA-N 1 0 318.804 3.402 20 10 DGCDRO CC[N@H+](CCc1ccc(OC)cc1)Cc1cc(OC)ccc1O ZINC001203680913 1090778995 /nfs/dbraw/zinc/77/89/95/1090778995.db2.gz JMDLFIYLDHGCRP-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)CCC(=O)c2cccs2)c1 ZINC001203680226 1090779170 /nfs/dbraw/zinc/77/91/70/1090779170.db2.gz MOUWBFCDJCXEKM-UHFFFAOYSA-N 1 0 305.399 3.167 20 10 DGCDRO Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)cc1 ZINC001203878629 1090825612 /nfs/dbraw/zinc/82/56/12/1090825612.db2.gz ITOBYQOIGSILJT-QGZVFWFLSA-N 1 0 313.397 3.450 20 10 DGCDRO Oc1ccc(C[NH+]2CCC(n3cnc4ccccc43)CC2)cc1O ZINC001203884624 1090826980 /nfs/dbraw/zinc/82/69/80/1090826980.db2.gz WEINFOOJVLNNCW-UHFFFAOYSA-N 1 0 323.396 3.285 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1 ZINC001203929555 1090841900 /nfs/dbraw/zinc/84/19/00/1090841900.db2.gz GCSBAIARLYYDBJ-TZMCWYRMSA-N 1 0 304.331 3.332 20 10 DGCDRO CN(C)c1ccc(CN2CCCC[C@H]2C[NH+]2CCCC2)cc1 ZINC001203934568 1090842766 /nfs/dbraw/zinc/84/27/66/1090842766.db2.gz WXSLHULLKSKQTN-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)cc1 ZINC001203942457 1090845511 /nfs/dbraw/zinc/84/55/11/1090845511.db2.gz RBURGTZZMXWXRS-LJQANCHMSA-N 1 0 318.461 3.308 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c2ccccc21 ZINC001204232396 1090929125 /nfs/dbraw/zinc/92/91/25/1090929125.db2.gz BWFPJANTDKQNBG-ZBFHGGJFSA-N 1 0 316.420 3.058 20 10 DGCDRO F[C@@H]1CSC2(C[NH+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001204321901 1090948544 /nfs/dbraw/zinc/94/85/44/1090948544.db2.gz LYWNDLYEQKNTMM-HNNXBMFYSA-N 1 0 306.450 3.316 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@]1(C)O ZINC001204325614 1090949502 /nfs/dbraw/zinc/94/95/02/1090949502.db2.gz RLSCPFXBBZAZAR-APWZRJJASA-N 1 0 302.462 3.270 20 10 DGCDRO COC(=O)C1(C)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327538 1090950046 /nfs/dbraw/zinc/95/00/46/1090950046.db2.gz YBWXICCCKUIMAF-UHFFFAOYSA-N 1 0 316.445 3.062 20 10 DGCDRO Cc1ccc(NC(=O)CN(C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC001204618311 1091007857 /nfs/dbraw/zinc/00/78/57/1091007857.db2.gz QYQUWFSVFYZXFZ-UHFFFAOYSA-N 1 0 320.339 3.049 20 10 DGCDRO CC(C)(C)[NH2+]Cc1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001204691199 1091018759 /nfs/dbraw/zinc/01/87/59/1091018759.db2.gz YGTZBUYTMNRNKX-UHFFFAOYSA-N 1 0 313.445 3.287 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@H+](C)Cc2cccc(C(N)=O)c2)c1 ZINC001204736933 1091026856 /nfs/dbraw/zinc/02/68/56/1091026856.db2.gz RRTPUJQLGZZHNX-UHFFFAOYSA-N 1 0 312.413 3.247 20 10 DGCDRO [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741887 1091027346 /nfs/dbraw/zinc/02/73/46/1091027346.db2.gz DZLJJMHEAIZCFR-UHFFFAOYSA-N 1 0 312.816 3.150 20 10 DGCDRO Cc1c(CN2CCOC[C@H]2c2cccnc2)c2ccccc2n1C ZINC001138259095 1091127402 /nfs/dbraw/zinc/12/74/02/1091127402.db2.gz AVCFXZSWFFCTSZ-FQEVSTJZSA-N 1 0 321.424 3.455 20 10 DGCDRO CCc1cccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c1O ZINC001205215619 1091135780 /nfs/dbraw/zinc/13/57/80/1091135780.db2.gz JVGZBBZNHZJHDC-MRXNPFEDSA-N 1 0 313.397 3.226 20 10 DGCDRO CC[C@H]1CCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337776 1091144910 /nfs/dbraw/zinc/14/49/10/1091144910.db2.gz YPROBFOTXLFNKM-INIZCTEOSA-N 1 0 300.446 3.465 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@@H](F)C2)cc2c3c1CCCN3CCC2 ZINC001138336735 1091145275 /nfs/dbraw/zinc/14/52/75/1091145275.db2.gz DQVCGSUEZVHCDK-OAHLLOKOSA-N 1 0 304.409 3.025 20 10 DGCDRO C[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1CC(F)(F)C1 ZINC001138339026 1091146985 /nfs/dbraw/zinc/14/69/85/1091146985.db2.gz ZXOWGIZGEBDKLL-UHFFFAOYSA-N 1 0 322.399 3.321 20 10 DGCDRO Cc1ccnn1C1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138358954 1091152466 /nfs/dbraw/zinc/15/24/66/1091152466.db2.gz FGAQANMODLSWPY-UHFFFAOYSA-N 1 0 324.472 3.411 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@](C)(O)C2)c(OC)c1 ZINC001138385913 1091161075 /nfs/dbraw/zinc/16/10/75/1091161075.db2.gz DCOONVGDYXYGMJ-LJQANCHMSA-N 1 0 320.477 3.278 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c(OC)c1 ZINC001138386008 1091161149 /nfs/dbraw/zinc/16/11/49/1091161149.db2.gz DQWNIJUQEZHXLL-CRAIPNDOSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c(OC)c1 ZINC001138386158 1091161345 /nfs/dbraw/zinc/16/13/45/1091161345.db2.gz IBNDMMLVDAJCOA-BEFAXECRSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c(OC)c1 ZINC001138386184 1091161364 /nfs/dbraw/zinc/16/13/64/1091161364.db2.gz IVKRWZAKMNFNBK-CRAIPNDOSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c(OC)c1 ZINC001138389202 1091162533 /nfs/dbraw/zinc/16/25/33/1091162533.db2.gz DZYRXXDEYLHPRS-GOSISDBHSA-N 1 0 320.477 3.277 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](OC)C2)c(OC)c1 ZINC001138388506 1091163451 /nfs/dbraw/zinc/16/34/51/1091163451.db2.gz WFDXXXKNEGIUHD-KRWDZBQOSA-N 1 0 306.450 3.152 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001138496958 1091206626 /nfs/dbraw/zinc/20/66/26/1091206626.db2.gz VSOACCHKBYSXFA-ROUUACIJSA-N 1 0 300.446 3.145 20 10 DGCDRO CN(CC[NH+](C)C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001205708523 1091318318 /nfs/dbraw/zinc/31/83/18/1091318318.db2.gz CDVWTWVMNQOHJE-UHFFFAOYSA-N 1 0 317.502 3.378 20 10 DGCDRO C[C@H]1CC[C@@H](CN)[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806310 1091357770 /nfs/dbraw/zinc/35/77/70/1091357770.db2.gz TWRVAYNAJJENEU-RDJZCZTQSA-N 1 0 311.473 3.465 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cnc3[nH]ccc3c1Cl)CC2 ZINC001138933615 1091382231 /nfs/dbraw/zinc/38/22/31/1091382231.db2.gz GYOKSQYIUVJYIM-UHFFFAOYSA-N 1 0 313.788 3.432 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c(O)c1 ZINC001205890346 1091396016 /nfs/dbraw/zinc/39/60/16/1091396016.db2.gz RZYPZXYRVJRDII-FUHWJXTLSA-N 1 0 309.450 3.088 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206163892 1091516592 /nfs/dbraw/zinc/51/65/92/1091516592.db2.gz HGGDAETVBFKNTR-MOPGFXCFSA-N 1 0 315.436 3.355 20 10 DGCDRO CCc1cccc(CN2CC([N@H+](C)Cc3ccccc3)C2)c1O ZINC001206180460 1091525399 /nfs/dbraw/zinc/52/53/99/1091525399.db2.gz OPYTZHCGNWNCGF-UHFFFAOYSA-N 1 0 310.441 3.271 20 10 DGCDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001206258051 1091552757 /nfs/dbraw/zinc/55/27/57/1091552757.db2.gz OZRBIBYJZLILMB-UHFFFAOYSA-N 1 0 312.413 3.224 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001139456871 1091562873 /nfs/dbraw/zinc/56/28/73/1091562873.db2.gz RJIBERGZRKUHBG-UHFFFAOYSA-N 1 0 324.472 3.380 20 10 DGCDRO CC(C)(C)c1cccc(CN2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206360740 1091597631 /nfs/dbraw/zinc/59/76/31/1091597631.db2.gz AGRHZKLICGMJTH-SFHVURJKSA-N 1 0 308.441 3.343 20 10 DGCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001206369816 1091601731 /nfs/dbraw/zinc/60/17/31/1091601731.db2.gz IJRSJCSCYUCDOO-AWEZNQCLSA-N 1 0 321.223 3.352 20 10 DGCDRO Cc1cc(C[N@H+](CCO)Cc2cccs2)ccc1N(C)C ZINC001139672096 1091637454 /nfs/dbraw/zinc/63/74/54/1091637454.db2.gz TUCQBJOAYRUQFO-UHFFFAOYSA-N 1 0 304.459 3.117 20 10 DGCDRO Cc1cccc(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC001139669975 1091637863 /nfs/dbraw/zinc/63/78/63/1091637863.db2.gz SMPBRPOXNQNFSC-UHFFFAOYSA-N 1 0 324.472 3.087 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)ccc1N(C)C ZINC001139674607 1091639842 /nfs/dbraw/zinc/63/98/42/1091639842.db2.gz XQOCSZSKSDVLID-SFHVURJKSA-N 1 0 310.441 3.497 20 10 DGCDRO C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001206572099 1091673049 /nfs/dbraw/zinc/67/30/49/1091673049.db2.gz ASWRQTKKGXMJIC-OAHLLOKOSA-N 1 0 300.805 3.136 20 10 DGCDRO C[C@@]1(C[NH3+])CCCCN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001206575201 1091674429 /nfs/dbraw/zinc/67/44/29/1091674429.db2.gz UZVPXVBCFAYNJP-HNNXBMFYSA-N 1 0 300.805 3.136 20 10 DGCDRO COCc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)s1 ZINC001139831631 1091682249 /nfs/dbraw/zinc/68/22/49/1091682249.db2.gz WLSVFJWENBMPNN-UHFFFAOYSA-N 1 0 319.426 3.254 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)c(C)c1 ZINC001140058456 1091751390 /nfs/dbraw/zinc/75/13/90/1091751390.db2.gz AGJITVYELJHMIW-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO CCCn1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c(C)n1 ZINC001203000459 1091763287 /nfs/dbraw/zinc/76/32/87/1091763287.db2.gz OXCGMVAGNPGIEE-ZDUSSCGKSA-N 1 0 303.406 3.167 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c1O ZINC001140179714 1091791755 /nfs/dbraw/zinc/79/17/55/1091791755.db2.gz NBPOSGJEDIOBRO-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1nc([C@@H]2CCC[N@H+](Cc3c(C)ccc(C)c3O)C2)no1 ZINC001140178301 1091792437 /nfs/dbraw/zinc/79/24/37/1091792437.db2.gz HKIQVCLREAAZQB-CQSZACIVSA-N 1 0 301.390 3.080 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1O ZINC001140181154 1091793109 /nfs/dbraw/zinc/79/31/09/1091793109.db2.gz ROKQBBHILDEMOJ-RBUKOAKNSA-N 1 0 311.425 3.187 20 10 DGCDRO Cc1ccc(C)c(C[N@H+](C)CCCC(=O)c2cccnc2)c1O ZINC001140182090 1091793129 /nfs/dbraw/zinc/79/31/29/1091793129.db2.gz ILYJXNXSRRXJMS-UHFFFAOYSA-N 1 0 312.413 3.499 20 10 DGCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140180072 1091793155 /nfs/dbraw/zinc/79/31/55/1091793155.db2.gz BIUSFTQJVMYIOQ-QFBILLFUSA-N 1 0 319.445 3.169 20 10 DGCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140183807 1091793275 /nfs/dbraw/zinc/79/32/75/1091793275.db2.gz JACTVRSUIWKFSM-HNNXBMFYSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCN(c3cccc(F)c3)CC2)c1O ZINC001140184896 1091795090 /nfs/dbraw/zinc/79/50/90/1091795090.db2.gz JRHYVMMRTADCQR-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C[C@H]1C ZINC001140184854 1091795601 /nfs/dbraw/zinc/79/56/01/1091795601.db2.gz IKTOUJSHEWQWBA-HZPDHXFCSA-N 1 0 319.445 3.420 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C2(CC2)C1 ZINC001140288463 1091816602 /nfs/dbraw/zinc/81/66/02/1091816602.db2.gz TZYZXZJBGNIAHE-OAHLLOKOSA-N 1 0 300.446 3.022 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCCCC34CC4)cc2)CC1 ZINC001140287038 1091816685 /nfs/dbraw/zinc/81/66/85/1091816685.db2.gz DJNBEHYBTVQQET-UHFFFAOYSA-N 1 0 300.446 3.166 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCCC4(CCC4)C3)cc2)CC1 ZINC001140287454 1091817176 /nfs/dbraw/zinc/81/71/76/1091817176.db2.gz SYCZDLPNBVZCEP-UHFFFAOYSA-N 1 0 314.473 3.414 20 10 DGCDRO CC(C)(C)C(=O)NC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140342716 1091834825 /nfs/dbraw/zinc/83/48/25/1091834825.db2.gz VOAJIPRIRKKYEH-UHFFFAOYSA-N 1 0 324.852 3.172 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001140342365 1091835082 /nfs/dbraw/zinc/83/50/82/1091835082.db2.gz GODVMMRZRARDEC-CQSZACIVSA-N 1 0 318.804 3.484 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@]2(O)CCCC(C)(C)CC2)c1 ZINC001207110751 1091847886 /nfs/dbraw/zinc/84/78/86/1091847886.db2.gz MKUKFJRUPRAMAK-SFHVURJKSA-N 1 0 307.434 3.212 20 10 DGCDRO CC1([NH+]2CCCC2)CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140464382 1091875407 /nfs/dbraw/zinc/87/54/07/1091875407.db2.gz NFCCCJABJUPDSA-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)c(F)cc1[O-] ZINC001207302204 1091917467 /nfs/dbraw/zinc/91/74/67/1091917467.db2.gz NFMGUYDJDUQXAF-UHFFFAOYSA-N 1 0 312.404 3.368 20 10 DGCDRO Cc1ccc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC001140620944 1091934125 /nfs/dbraw/zinc/93/41/25/1091934125.db2.gz JGIIBLCTVXLHLK-UHFFFAOYSA-N 1 0 310.441 3.327 20 10 DGCDRO CCOC(=O)C1(CC)CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140623905 1091936898 /nfs/dbraw/zinc/93/68/98/1091936898.db2.gz WLUKMMBIJAVKBA-UHFFFAOYSA-N 1 0 305.418 3.256 20 10 DGCDRO C[C@]1(F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660438 1091949710 /nfs/dbraw/zinc/94/97/10/1091949710.db2.gz RQMLTRQPJVQAAM-SFHVURJKSA-N 1 0 324.415 3.376 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1O ZINC001140746183 1091983221 /nfs/dbraw/zinc/98/32/21/1091983221.db2.gz VOLBAOTVRCJICW-INIZCTEOSA-N 1 0 317.360 3.199 20 10 DGCDRO COc1cccc(CCC[N@H+](C)Cc2ccc(O)c(C)c2O)c1 ZINC001140747466 1091985566 /nfs/dbraw/zinc/98/55/66/1091985566.db2.gz ANOZZZIMSKZNRT-UHFFFAOYSA-N 1 0 315.413 3.479 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1c(OC)cc(O)cc1OC ZINC001140773208 1091993164 /nfs/dbraw/zinc/99/31/64/1091993164.db2.gz PHZFNBCUXWAVBS-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO CCN(C(=O)C[NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001207566782 1092024771 /nfs/dbraw/zinc/02/47/71/1092024771.db2.gz XWPHCFXNAODLRP-UHFFFAOYSA-N 1 0 318.804 3.188 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2COC)c(O)c1 ZINC001140850454 1092028517 /nfs/dbraw/zinc/02/85/17/1092028517.db2.gz LQQIFMFNRVWEST-KRWDZBQOSA-N 1 0 306.450 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCCO2)c(O)c1 ZINC001140855337 1092030152 /nfs/dbraw/zinc/03/01/52/1092030152.db2.gz VVDQHLACCLNECO-QGZVFWFLSA-N 1 0 306.450 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)c(O)c1 ZINC001140855710 1092030175 /nfs/dbraw/zinc/03/01/75/1092030175.db2.gz JHBRMDXLCYPAJV-AWEZNQCLSA-N 1 0 324.465 3.268 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC001140856577 1092032263 /nfs/dbraw/zinc/03/22/63/1092032263.db2.gz FIJKYTPZMXBBII-GOSISDBHSA-N 1 0 306.450 3.095 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c(O)c1 ZINC001140856758 1092034007 /nfs/dbraw/zinc/03/40/07/1092034007.db2.gz MNMYEHGALBJWMB-RHSMWYFYSA-N 1 0 306.450 3.238 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001140922191 1092063628 /nfs/dbraw/zinc/06/36/28/1092063628.db2.gz JTUQUKNTFWMOHR-DYVFJYSZSA-N 1 0 308.853 3.407 20 10 DGCDRO CC[N@H+](CCn1cccn1)Cc1ccc(N(C)C)cc1Cl ZINC001140924357 1092064419 /nfs/dbraw/zinc/06/44/19/1092064419.db2.gz GQSBNMATZJCDOA-UHFFFAOYSA-N 1 0 306.841 3.125 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140948552 1092074481 /nfs/dbraw/zinc/07/44/81/1092074481.db2.gz NPWITTVJZBLSID-HNNXBMFYSA-N 1 0 320.433 3.190 20 10 DGCDRO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC001140949695 1092074512 /nfs/dbraw/zinc/07/45/12/1092074512.db2.gz IMCWPNRZPXWGRL-QGZVFWFLSA-N 1 0 310.441 3.407 20 10 DGCDRO Cc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001140953499 1092077077 /nfs/dbraw/zinc/07/70/77/1092077077.db2.gz BUVVZELNPLFOFW-DLBZAZTESA-N 1 0 306.425 3.099 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(O)c1 ZINC001140953571 1092077879 /nfs/dbraw/zinc/07/78/79/1092077879.db2.gz CEZVYOHVZQEUFL-AZUAARDMSA-N 1 0 322.452 3.407 20 10 DGCDRO CCCc1noc([C@H]2CCC[N@H+](Cc3ccc(C)cc3O)C2)n1 ZINC001140957524 1092079155 /nfs/dbraw/zinc/07/91/55/1092079155.db2.gz CMJCWHUXIRGBFL-HNNXBMFYSA-N 1 0 315.417 3.416 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)cc1OC ZINC001207836172 1092111545 /nfs/dbraw/zinc/11/15/45/1092111545.db2.gz HENMPNFSLHAKIO-KRWDZBQOSA-N 1 0 323.433 3.046 20 10 DGCDRO CCO[C@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076032 1092130005 /nfs/dbraw/zinc/13/00/05/1092130005.db2.gz KGKCHZDCAPKHAT-IBGZPJMESA-N 1 0 314.473 3.386 20 10 DGCDRO O=C1CCC[C@H]2C[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@H]12 ZINC001141079130 1092131070 /nfs/dbraw/zinc/13/10/70/1092131070.db2.gz UMACMGGXNQQFNI-OALUTQOASA-N 1 0 324.468 3.186 20 10 DGCDRO CN1CCOc2cc(C[N@H+](C3CCC3)C3CCOCC3)ccc21 ZINC001141146243 1092150391 /nfs/dbraw/zinc/15/03/91/1092150391.db2.gz POSJYZIZOLIJDA-UHFFFAOYSA-N 1 0 316.445 3.049 20 10 DGCDRO Cc1ccccc1OC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156242 1092155303 /nfs/dbraw/zinc/15/53/03/1092155303.db2.gz INNYIMMHIWITNP-UHFFFAOYSA-N 1 0 313.397 3.450 20 10 DGCDRO Cc1ccc(C)c(N2CC[NH+](Cc3cc(O)ccc3O)CC2)c1 ZINC001141155694 1092155679 /nfs/dbraw/zinc/15/56/79/1092155679.db2.gz FWQMGKGIBXXIIY-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC001141163093 1092158225 /nfs/dbraw/zinc/15/82/25/1092158225.db2.gz ORJACFONDZTWOC-INIZCTEOSA-N 1 0 301.361 3.444 20 10 DGCDRO Cc1c(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c2ccccc2n1C ZINC001276557126 1092204615 /nfs/dbraw/zinc/20/46/15/1092204615.db2.gz VSMUHPFBMHBPGF-HXUWFJFHSA-N 1 0 311.473 3.404 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1O ZINC001168831292 1092386097 /nfs/dbraw/zinc/38/60/97/1092386097.db2.gz UXGFYPNISQYHAB-DZGCQCFKSA-N 1 0 320.433 3.188 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@](F)(CO)CC2)c1O ZINC001143104511 1092615280 /nfs/dbraw/zinc/61/52/80/1092615280.db2.gz UOFNWTAERATITL-GOSISDBHSA-N 1 0 309.425 3.376 20 10 DGCDRO Cc1cc(C[N@H+](C)Cc2cccc(C(C)(C)C)c2O)n(C)n1 ZINC001143110936 1092616743 /nfs/dbraw/zinc/61/67/43/1092616743.db2.gz UAEKRSLKWHFKQP-UHFFFAOYSA-N 1 0 301.434 3.364 20 10 DGCDRO CC(C)(C)c1cccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1O ZINC001143110517 1092616776 /nfs/dbraw/zinc/61/67/76/1092616776.db2.gz HQVSVOPIBYTFNF-INIZCTEOSA-N 1 0 302.462 3.360 20 10 DGCDRO CC(C)(C)c1cccc(CN2CC([NH+]3CCCCC3)C2)c1O ZINC001143112469 1092616944 /nfs/dbraw/zinc/61/69/44/1092616944.db2.gz RPUWXJXUZFOZAQ-UHFFFAOYSA-N 1 0 302.462 3.360 20 10 DGCDRO CC[N@H+](CCn1cccn1)Cc1cccc(C(C)(C)C)c1O ZINC001143111681 1092617094 /nfs/dbraw/zinc/61/70/94/1092617094.db2.gz FHBQGXHHVRKMDM-UHFFFAOYSA-N 1 0 301.434 3.408 20 10 DGCDRO CC(C)(C)c1cccc(CN2CC([NH+]3CCC(F)CC3)C2)c1O ZINC001143110418 1092617135 /nfs/dbraw/zinc/61/71/35/1092617135.db2.gz FQYBSQCUMJVFME-UHFFFAOYSA-N 1 0 320.452 3.308 20 10 DGCDRO CC[C@@H](C)[C@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169401281 1092664936 /nfs/dbraw/zinc/66/49/36/1092664936.db2.gz RSSQEIZTZRSMJJ-ZBFHGGJFSA-N 1 0 320.477 3.282 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210311784 1093121194 /nfs/dbraw/zinc/12/11/94/1093121194.db2.gz OJXSHRNPBBFDBS-KRWDZBQOSA-N 1 0 316.832 3.062 20 10 DGCDRO COc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)c(O)c1 ZINC000091682792 1093486952 /nfs/dbraw/zinc/48/69/52/1093486952.db2.gz KLLPTKAVAHBYLK-UHFFFAOYSA-N 1 0 313.397 3.444 20 10 DGCDRO Nc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)cc1 ZINC001120268426 1094398580 /nfs/dbraw/zinc/39/85/80/1094398580.db2.gz FAFXZPWWNJGKLL-UHFFFAOYSA-N 1 0 317.820 3.361 20 10 DGCDRO Nc1ccc(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC001120269666 1094398905 /nfs/dbraw/zinc/39/89/05/1094398905.db2.gz XXCYRHKDJKRZTQ-LBPRGKRZSA-N 1 0 322.334 3.067 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCF)cc1C ZINC001135212374 1094452513 /nfs/dbraw/zinc/45/25/13/1094452513.db2.gz WIFCQPZLULORNF-CABCVRRESA-N 1 0 324.440 3.126 20 10 DGCDRO c1ccn(-c2ccc(-c3nnc(CC4CC[NH2+]CC4)o3)cc2)c1 ZINC001217696701 1094473629 /nfs/dbraw/zinc/47/36/29/1094473629.db2.gz RMBVKXGXOILGIQ-UHFFFAOYSA-N 1 0 308.385 3.069 20 10 DGCDRO CC(C)[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(F)(F)F ZINC001218193164 1094651484 /nfs/dbraw/zinc/65/14/84/1094651484.db2.gz NTPDCEQPNRLNRX-AWEZNQCLSA-N 1 0 302.340 3.062 20 10 DGCDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001218956037 1094914267 /nfs/dbraw/zinc/91/42/67/1094914267.db2.gz SIJDCGIGLBCGOR-HNAYVOBHSA-N 1 0 323.440 3.190 20 10 DGCDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCCCO1 ZINC000691674550 1094948209 /nfs/dbraw/zinc/94/82/09/1094948209.db2.gz GBURVNJAGJUAFK-ZDUSSCGKSA-N 1 0 314.223 3.156 20 10 DGCDRO CCc1ccc(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c(O)c1 ZINC001276804391 1094968692 /nfs/dbraw/zinc/96/86/92/1094968692.db2.gz BKMLSSIEFIFLEN-QFBILLFUSA-N 1 0 314.473 3.403 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@](C)(O)C(F)(F)F ZINC001337800185 1095100064 /nfs/dbraw/zinc/10/00/64/1095100064.db2.gz LHHBXINPABQDNS-RULNRJAQSA-N 1 0 303.324 3.152 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3c(Cl)cccc3C2)c(O)c1 ZINC001171027364 1095153484 /nfs/dbraw/zinc/15/34/84/1095153484.db2.gz SGGSSUMEFYDUAS-ZDUSSCGKSA-N 1 0 303.789 3.398 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000316305808 1095168391 /nfs/dbraw/zinc/16/83/91/1095168391.db2.gz ZXRIBOLIJITXGI-GUDVDZBRSA-N 1 0 301.478 3.153 20 10 DGCDRO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116032460 1095442042 /nfs/dbraw/zinc/44/20/42/1095442042.db2.gz JSZVZRUJCKWTJO-MOPGFXCFSA-N 1 0 301.478 3.249 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222271026 1095523870 /nfs/dbraw/zinc/52/38/70/1095523870.db2.gz BTPIIRBEIDKHCP-GOSISDBHSA-N 1 0 321.896 3.372 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H](O)C(F)(F)F ZINC001116425120 1095546172 /nfs/dbraw/zinc/54/61/72/1095546172.db2.gz TYNGBRSIEAQIFB-HUUCEWRRSA-N 1 0 316.367 3.078 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@@]3(CCC[NH2+]3)C2)c(Cl)c1 ZINC001222353633 1095567998 /nfs/dbraw/zinc/56/79/98/1095567998.db2.gz DFSXIBHJKRBMLV-KRWDZBQOSA-N 1 0 307.869 3.124 20 10 DGCDRO Cc1cc(CN2CCC[C@]3(CCCC[NH2+]3)C2)ccc1N(C)C ZINC001222390186 1095587169 /nfs/dbraw/zinc/58/71/69/1095587169.db2.gz MLKMWYMTLLGINL-LJQANCHMSA-N 1 0 301.478 3.169 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222396288 1095592353 /nfs/dbraw/zinc/59/23/53/1095592353.db2.gz QPAMRHMYLULZPT-MRXNPFEDSA-N 1 0 312.816 3.293 20 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/nfs/dbraw/zinc/70/01/92/1095700192.db2.gz FPLRYFZYWFQPHW-UHFFFAOYSA-N 1 0 309.312 3.104 20 10 DGCDRO C[N@H+](Cc1c(O)cc(O)cc1O)C(C)(C)Cc1ccccc1 ZINC001144515649 1095700632 /nfs/dbraw/zinc/70/06/32/1095700632.db2.gz UIFGXPJUPLTIDX-UHFFFAOYSA-N 1 0 301.386 3.257 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001144514717 1095700875 /nfs/dbraw/zinc/70/08/75/1095700875.db2.gz PLVKVTQBECDPSG-UHFFFAOYSA-N 1 0 305.761 3.015 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC001137854174 1095767171 /nfs/dbraw/zinc/76/71/71/1095767171.db2.gz LANSVDYJSABTQV-WMZOPIPTSA-N 1 0 316.420 3.246 20 10 DGCDRO O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001339914203 1095777789 /nfs/dbraw/zinc/77/77/89/1095777789.db2.gz MHKRGCOHLAECMB-RTWAWAEBSA-N 1 0 322.452 3.425 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ncccc1N(C)C ZINC001117633509 1095788156 /nfs/dbraw/zinc/78/81/56/1095788156.db2.gz RZXKSKVKHVRSDY-UONOGXRCSA-N 1 0 311.429 3.500 20 10 DGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001117721525 1095813828 /nfs/dbraw/zinc/81/38/28/1095813828.db2.gz SBQNRJGJHKYMTP-VIFPVBQESA-N 1 0 317.788 3.395 20 10 DGCDRO c1cc(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)ncn1 ZINC001118012117 1095920168 /nfs/dbraw/zinc/92/01/68/1095920168.db2.gz NTGSVVNPAPJSNS-UHFFFAOYSA-N 1 0 322.456 3.456 20 10 DGCDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC001118577314 1096039645 /nfs/dbraw/zinc/03/96/45/1096039645.db2.gz MSRZMHAMUJBAES-GWCFXTLKSA-N 1 0 316.239 3.041 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)C2CCCC2)cc1C ZINC001147351045 1096207243 /nfs/dbraw/zinc/20/72/43/1096207243.db2.gz VMRCPEAHUUEGTJ-OAHLLOKOSA-N 1 0 318.461 3.036 20 10 DGCDRO Oc1cc2ccccc2cc1CNc1ccc2c([nH+]1)NCCO2 ZINC001171407870 1096679823 /nfs/dbraw/zinc/67/98/23/1096679823.db2.gz XRSYZQOAJLKKTF-UHFFFAOYSA-N 1 0 307.353 3.357 20 10 DGCDRO C[C@@H]1C[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CN1Cc1ccccc1 ZINC001171760230 1096964208 /nfs/dbraw/zinc/96/42/08/1096964208.db2.gz 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ZINC001231588171 1097785676 /nfs/dbraw/zinc/78/56/76/1097785676.db2.gz SUQYGONDOMGXIS-HXUWFJFHSA-N 1 0 324.424 3.132 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001231587431 1097785704 /nfs/dbraw/zinc/78/57/04/1097785704.db2.gz CCJBXSAEONGWPW-GOSISDBHSA-N 1 0 303.377 3.232 20 10 DGCDRO Cc1ccc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC001231593443 1097786719 /nfs/dbraw/zinc/78/67/19/1097786719.db2.gz YRDZYJXRODLRQT-UHFFFAOYSA-N 1 0 310.441 3.327 20 10 DGCDRO Cc1cccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1O ZINC001231595394 1097787879 /nfs/dbraw/zinc/78/78/79/1097787879.db2.gz SCEVRBXXDNTGMM-QZTJIDSGSA-N 1 0 308.425 3.269 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC001231595479 1097788448 /nfs/dbraw/zinc/78/84/48/1097788448.db2.gz WLQKLGYBJLQVGC-GJZGRUSLSA-N 1 0 305.418 3.112 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2ccc(C)cc2)c(O)cc1O ZINC001231636318 1097796844 /nfs/dbraw/zinc/79/68/44/1097796844.db2.gz SKVFNIKYZFNNMA-UHFFFAOYSA-N 1 0 301.386 3.089 20 10 DGCDRO COc1cc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c(O)cc1O ZINC001231636966 1097797007 /nfs/dbraw/zinc/79/70/07/1097797007.db2.gz BTQXYEWMTADCGD-ZDUSSCGKSA-N 1 0 309.381 3.211 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(C)c(C)c2)c(O)cc1O ZINC001231639496 1097798011 /nfs/dbraw/zinc/79/80/11/1097798011.db2.gz QYYJZKGSSCVKJN-UHFFFAOYSA-N 1 0 301.386 3.355 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231844738 1097861697 /nfs/dbraw/zinc/86/16/97/1097861697.db2.gz ORQHHVKKGVGYFQ-UHFFFAOYSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001231846777 1097862067 /nfs/dbraw/zinc/86/20/67/1097862067.db2.gz OWSHPEBGRVAUSJ-AWEZNQCLSA-N 1 0 305.418 3.173 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)cc1Cl ZINC001231870173 1097869932 /nfs/dbraw/zinc/86/99/32/1097869932.db2.gz MFSACKIGXYXZSG-AWEZNQCLSA-N 1 0 318.804 3.402 20 10 DGCDRO Cc1cc(O)c(CN2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC001231868424 1097870039 /nfs/dbraw/zinc/87/00/39/1097870039.db2.gz GXFUNXRLFUYSBV-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cnccn2)cc1Cl ZINC001231870461 1097872405 /nfs/dbraw/zinc/87/24/05/1097872405.db2.gz CIGUIXIFYIKHIM-HNNXBMFYSA-N 1 0 303.793 3.481 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@](O)(CF)CC2)ccc2ccccc21 ZINC001231879361 1097876764 /nfs/dbraw/zinc/87/67/64/1097876764.db2.gz COHMDFUBPYQWKT-GOSISDBHSA-N 1 0 303.377 3.232 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231879608 1097876793 /nfs/dbraw/zinc/87/67/93/1097876793.db2.gz KIYLGARRTULKIC-CZUORRHYSA-N 1 0 313.397 3.319 20 10 DGCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231880932 1097877921 /nfs/dbraw/zinc/87/79/21/1097877921.db2.gz OJJMDILLMQXBSS-CJNGLKHVSA-N 1 0 313.397 3.176 20 10 DGCDRO Clc1cc(C[NH+]2CC3CC(C3)C2)ccc1N1CCOCC1 ZINC001232201048 1097963715 /nfs/dbraw/zinc/96/37/15/1097963715.db2.gz GCBDRYCACWBJLH-UHFFFAOYSA-N 1 0 306.837 3.018 20 10 DGCDRO CCCOC1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232263804 1097986420 /nfs/dbraw/zinc/98/64/20/1097986420.db2.gz AZRMUITYCGUMEY-UHFFFAOYSA-N 1 0 313.825 3.445 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)c(O)cc1O)C[C@@H]1Cc2ccccc2O1 ZINC001232266792 1097986980 /nfs/dbraw/zinc/98/69/80/1097986980.db2.gz YVEKNXJKFRFXLQ-ZDUSSCGKSA-N 1 0 319.788 3.187 20 10 DGCDRO CC[NH+](CC)C1CCN(Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232268867 1097987976 /nfs/dbraw/zinc/98/79/76/1097987976.db2.gz VAQGQVXLQHSXAO-UHFFFAOYSA-N 1 0 312.841 3.057 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1cccc(F)c1 ZINC001175418453 1098039274 /nfs/dbraw/zinc/03/92/74/1098039274.db2.gz KRNFBGZRBLYUHT-NWDGAFQWSA-N 1 0 302.349 3.209 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC001232838134 1098149432 /nfs/dbraw/zinc/14/94/32/1098149432.db2.gz AXANZAKQIRXGKA-LJQANCHMSA-N 1 0 312.413 3.032 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(c3ccncc3)CC2)c(O)c1 ZINC001232839712 1098149439 /nfs/dbraw/zinc/14/94/39/1098149439.db2.gz UQAWNQJMWLWJRE-UHFFFAOYSA-N 1 0 311.429 3.233 20 10 DGCDRO COc1ccccc1CC[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232840407 1098150617 /nfs/dbraw/zinc/15/06/17/1098150617.db2.gz WVWDAQYZJHWKNO-UHFFFAOYSA-N 1 0 314.429 3.141 20 10 DGCDRO Oc1cc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc(O)c1O ZINC001233017077 1098203643 /nfs/dbraw/zinc/20/36/43/1098203643.db2.gz REMOWOFLADDWIW-ZDUSSCGKSA-N 1 0 319.788 3.446 20 10 DGCDRO Oc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc(O)c1O ZINC001233012760 1098204199 /nfs/dbraw/zinc/20/41/99/1098204199.db2.gz IXXJSLDHMYQIFG-UHFFFAOYSA-N 1 0 323.392 3.364 20 10 DGCDRO COc1cc(Cl)cc(CN2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001233287788 1098278523 /nfs/dbraw/zinc/27/85/23/1098278523.db2.gz HLSZVBHVRYCVNM-TZMCWYRMSA-N 1 0 305.752 3.326 20 10 DGCDRO CCOC(=O)c1c(C[N@H+](C)CCSC)c2ccccc2n1C ZINC001233273333 1098269513 /nfs/dbraw/zinc/26/95/13/1098269513.db2.gz YKZKEVZTOLXHRN-UHFFFAOYSA-N 1 0 320.458 3.150 20 10 DGCDRO Cc1nc(CC[N@@H+](C)Cc2cc(C(C)(C)C)ccc2O)no1 ZINC001233284456 1098274284 /nfs/dbraw/zinc/27/42/84/1098274284.db2.gz 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ZINC001233289915 1098277626 /nfs/dbraw/zinc/27/76/26/1098277626.db2.gz XSLBFUJSLQXXQJ-AWEZNQCLSA-N 1 0 313.825 3.445 20 10 DGCDRO Oc1ccc(F)c(F)c1CN1CC[NH+](C2CCCCC2)CC1 ZINC001233331552 1098292906 /nfs/dbraw/zinc/29/29/06/1098292906.db2.gz AZMWOOYXDLOWDI-UHFFFAOYSA-N 1 0 310.388 3.121 20 10 DGCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233419070 1098324800 /nfs/dbraw/zinc/32/48/00/1098324800.db2.gz INMUBIYIKMQJBF-CYBMUJFWSA-N 1 0 314.351 3.080 20 10 DGCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233419071 1098325679 /nfs/dbraw/zinc/32/56/79/1098325679.db2.gz INMUBIYIKMQJBF-ZDUSSCGKSA-N 1 0 314.351 3.080 20 10 DGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419141 1098326307 /nfs/dbraw/zinc/32/63/07/1098326307.db2.gz KVLLYLXQHICKNC-GFCCVEGCSA-N 1 0 303.324 3.410 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001233452383 1098337040 /nfs/dbraw/zinc/33/70/40/1098337040.db2.gz UNAQUBPAHFVKEH-YGRLFVJLSA-N 1 0 301.308 3.022 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@@]1(C)O ZINC001233452393 1098337577 /nfs/dbraw/zinc/33/75/77/1098337577.db2.gz UWNPCAGLKDYECG-IAQYHMDHSA-N 1 0 317.351 3.394 20 10 DGCDRO OC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452074 1098337609 /nfs/dbraw/zinc/33/76/09/1098337609.db2.gz JNASBPAZGUQEOG-NSHDSACASA-N 1 0 303.324 3.005 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC2(C1)CCCOC2 ZINC001233451957 1098338521 /nfs/dbraw/zinc/33/85/21/1098338521.db2.gz GDZLQRQRRCUTPS-UHFFFAOYSA-N 1 0 301.308 3.023 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001233454605 1098341574 /nfs/dbraw/zinc/34/15/74/1098341574.db2.gz BUJFHSPBJLCOEA-AWEZNQCLSA-N 1 0 301.308 3.166 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2F)cc1O ZINC001233485552 1098345861 /nfs/dbraw/zinc/34/58/61/1098345861.db2.gz AQVHEJDWPFPLPZ-CQSZACIVSA-N 1 0 303.333 3.280 20 10 DGCDRO Oc1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cccc1OC(F)(F)F ZINC001233755248 1098423308 /nfs/dbraw/zinc/42/33/08/1098423308.db2.gz SOVMWCMVNJSHMK-GARJFASQSA-N 1 0 305.271 3.223 20 10 DGCDRO Oc1c(C[N@@H+]2CCOCC23CCC3)cccc1OC(F)(F)F ZINC001233760527 1098424056 /nfs/dbraw/zinc/42/40/56/1098424056.db2.gz GPDACWXQNRJTSL-UHFFFAOYSA-N 1 0 317.307 3.046 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCC(=O)[C@H](C)C3)c2c1 ZINC001234525126 1098580160 /nfs/dbraw/zinc/58/01/60/1098580160.db2.gz BEGSTYLRCZCRSI-CYBMUJFWSA-N 1 0 313.397 3.355 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+]3CCC(=O)[C@H](F)CC3)c2c1 ZINC001234525395 1098580640 /nfs/dbraw/zinc/58/06/40/1098580640.db2.gz FMBIDWZODWPCIV-MRXNPFEDSA-N 1 0 317.360 3.057 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)COC(C)(C)C)cc2)CC1 ZINC001234657621 1098635269 /nfs/dbraw/zinc/63/52/69/1098635269.db2.gz FQRAMQPRZUFOPZ-MRXNPFEDSA-N 1 0 320.477 3.411 20 10 DGCDRO Cc1ccc(F)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001178009962 1098678028 /nfs/dbraw/zinc/67/80/28/1098678028.db2.gz LZVQHYHTBIAHNR-UHFFFAOYSA-N 1 0 313.420 3.498 20 10 DGCDRO OC[C@@H]1C[C@H](F)C[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993251 1098738835 /nfs/dbraw/zinc/73/88/35/1098738835.db2.gz XSZKLZCARJDPFX-PBHICJAKSA-N 1 0 315.388 3.212 20 10 DGCDRO CC(=O)N1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1C ZINC001234998477 1098740524 /nfs/dbraw/zinc/74/05/24/1098740524.db2.gz KHOXTTWAHKUPLT-OAHLLOKOSA-N 1 0 324.424 3.112 20 10 DGCDRO CC[N@H+](CCC(=O)OC)Cc1cccc(-c2ccccc2)c1O ZINC001234997554 1098741000 /nfs/dbraw/zinc/74/10/00/1098741000.db2.gz DYSBIBNNSDXNMR-UHFFFAOYSA-N 1 0 313.397 3.444 20 10 DGCDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001206324765 1098774243 /nfs/dbraw/zinc/77/42/43/1098774243.db2.gz DEIXZRGAJIGSSN-OAHLLOKOSA-N 1 0 300.805 3.136 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CCCC12C[NH2+]C2 ZINC001235090595 1098793863 /nfs/dbraw/zinc/79/38/63/1098793863.db2.gz VCVABADOBODKPS-UHFFFAOYSA-N 1 0 312.388 3.136 20 10 DGCDRO [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235105911 1098804937 /nfs/dbraw/zinc/80/49/37/1098804937.db2.gz IBQZMFRSYVGQQQ-UHFFFAOYSA-N 1 0 315.244 3.275 20 10 DGCDRO Cc1cc(O)c(CN2CCCC[C@@]23CCC[NH2+]C3)cc1Cl ZINC001235178837 1098861748 /nfs/dbraw/zinc/86/17/48/1098861748.db2.gz PBSZBJFVYVAQEP-KRWDZBQOSA-N 1 0 308.853 3.462 20 10 DGCDRO Oc1cccc(Cl)c1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235221243 1098893081 /nfs/dbraw/zinc/89/30/81/1098893081.db2.gz MGOLQKXMTMDQTP-WMLDXEAASA-N 1 0 314.816 3.117 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)cc1C ZINC001178688322 1098909772 /nfs/dbraw/zinc/90/97/72/1098909772.db2.gz HKTWERWBGVAORE-LJQANCHMSA-N 1 0 313.441 3.477 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CCC[C@H]3[NH2+]C[C@H]32)cc1Cl ZINC001235308241 1098953262 /nfs/dbraw/zinc/95/32/62/1098953262.db2.gz WHXGUJZJZWLUQO-HUUCEWRRSA-N 1 0 308.853 3.279 20 10 DGCDRO CN(Cc1cc(-c2ccc(F)cc2)ccc1O)[C@H]1CCC[NH2+]C1 ZINC001235347170 1098971270 /nfs/dbraw/zinc/97/12/70/1098971270.db2.gz NICRMKKZCOWSPK-SFHVURJKSA-N 1 0 314.404 3.382 20 10 DGCDRO CN(C)c1ccc(CN2CC([NH+]3CCCC3)C2)c2ccccc21 ZINC001204242338 1099066980 /nfs/dbraw/zinc/06/69/80/1099066980.db2.gz NXSKSZCYUFHNCQ-UHFFFAOYSA-N 1 0 309.457 3.186 20 10 DGCDRO Nc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)cc1 ZINC001235541668 1099084257 /nfs/dbraw/zinc/08/42/57/1099084257.db2.gz PIHXJWHCMRWHTR-XLIONFOSSA-N 1 0 323.440 3.345 20 10 DGCDRO CN1C[C@@H]2CCC[N@H+](Cc3ccc(C(C)(C)C)cc3O)[C@@H]2C1 ZINC001235679743 1099122381 /nfs/dbraw/zinc/12/23/81/1099122381.db2.gz QTCXWJCKMFAMBB-WMLDXEAASA-N 1 0 302.462 3.216 20 10 DGCDRO CC(C)(C)c1ccc(C[NH+]2CCN(CC(F)F)CC2)c(O)c1 ZINC001235680001 1099124850 /nfs/dbraw/zinc/12/48/50/1099124850.db2.gz RSHIAWPLIOQZCL-UHFFFAOYSA-N 1 0 312.404 3.072 20 10 DGCDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235681641 1099124882 /nfs/dbraw/zinc/12/48/82/1099124882.db2.gz OWYJKJTXWDBQFO-ISTRZQFTSA-N 1 0 317.429 3.216 20 10 DGCDRO CC[N@H+](Cc1cnc(OC)c(Cl)c1)Cc1ccccc1O ZINC001235706910 1099139553 /nfs/dbraw/zinc/13/95/53/1099139553.db2.gz SHMPQMHIPBFYEG-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)c2cccc(F)c2)cc1F ZINC001179630501 1099160184 /nfs/dbraw/zinc/16/01/84/1099160184.db2.gz DDDPDDWTCKZWOL-SFHVURJKSA-N 1 0 320.383 3.028 20 10 DGCDRO Oc1cccc(F)c1CN1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001235812609 1099192482 /nfs/dbraw/zinc/19/24/82/1099192482.db2.gz RWMJAKDJBQMSEG-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO COC(=O)c1ccc(C2CC[NH+](Cc3ccc(N)cc3)CC2)cc1 ZINC001235839754 1099203323 /nfs/dbraw/zinc/20/33/23/1099203323.db2.gz XHBLYAWMYPIMRW-UHFFFAOYSA-N 1 0 324.424 3.435 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235853881 1099214886 /nfs/dbraw/zinc/21/48/86/1099214886.db2.gz NRNPUBFSBSEMMB-INIZCTEOSA-N 1 0 302.805 3.192 20 10 DGCDRO c1ccc([C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CCN2)cc1 ZINC001235861252 1099222419 /nfs/dbraw/zinc/22/24/19/1099222419.db2.gz ZBHNORITNXPMKE-OAQYLSRUSA-N 1 0 321.468 3.433 20 10 DGCDRO CC(C)C[C@H]1CN(Cc2c(O)ccc(F)c2Cl)CC[NH2+]1 ZINC001235881156 1099231844 /nfs/dbraw/zinc/23/18/44/1099231844.db2.gz BNZZVFYSVKOQKI-NSHDSACASA-N 1 0 300.805 3.005 20 10 DGCDRO [NH3+][C@]12CC[C@H]1CN(Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985529 1099310017 /nfs/dbraw/zinc/31/00/17/1099310017.db2.gz CTICOXQLMXHYDZ-LPHOPBHVSA-N 1 0 312.388 3.121 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1Cl ZINC001235988868 1099313462 /nfs/dbraw/zinc/31/34/62/1099313462.db2.gz ARVLLJYDYHUZSE-SJCJKPOMSA-N 1 0 308.853 3.266 20 10 DGCDRO CC(C)OCCN1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001180149392 1099331405 /nfs/dbraw/zinc/33/14/05/1099331405.db2.gz WPYABAVNMVCVSB-UHFFFAOYSA-N 1 0 320.477 3.058 20 10 DGCDRO CCC[N@H+](Cc1cc(C)c(C(=O)OC)[nH]1)Cc1ccccc1O ZINC001180194323 1099349865 /nfs/dbraw/zinc/34/98/65/1099349865.db2.gz BVHSBCTWLSIYLO-UHFFFAOYSA-N 1 0 316.401 3.228 20 10 DGCDRO CCCNC(=O)C1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001180289046 1099373704 /nfs/dbraw/zinc/37/37/04/1099373704.db2.gz QSIUNVCLDYPBBJ-UHFFFAOYSA-N 1 0 318.461 3.254 20 10 DGCDRO CN(C)c1ccc(CN(C)[C@]2(C)CCC[NH2+]C2)c2ccccc21 ZINC001236203136 1099460331 /nfs/dbraw/zinc/46/03/31/1099460331.db2.gz VPZSJSBSLALTPW-HXUWFJFHSA-N 1 0 311.473 3.480 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c1O ZINC001180592989 1099467837 /nfs/dbraw/zinc/46/78/37/1099467837.db2.gz IMXZTKCGMRYTMN-KBPBESRZSA-N 1 0 311.809 3.101 20 10 DGCDRO CN(Cc1ccc(C(F)(F)F)cc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216745 1099474681 /nfs/dbraw/zinc/47/46/81/1099474681.db2.gz MGPVWOLVLADABC-OLZOCXBDSA-N 1 0 302.340 3.113 20 10 DGCDRO CN(Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219704 1099478692 /nfs/dbraw/zinc/47/86/92/1099478692.db2.gz XMXDJTIPSNXEIQ-OALUTQOASA-N 1 0 313.489 3.087 20 10 DGCDRO Cc1ccc(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001236269591 1099511616 /nfs/dbraw/zinc/51/16/16/1099511616.db2.gz IYOSWWKYKYSKPV-IBGZPJMESA-N 1 0 310.441 3.455 20 10 DGCDRO CCCN(Cc1ccc(N(CC)CC)cc1OC)[C@@H]1CC[NH2+]C1 ZINC001236323432 1099537351 /nfs/dbraw/zinc/53/73/51/1099537351.db2.gz GSWOKXOMTCDDMH-GOSISDBHSA-N 1 0 319.493 3.115 20 10 DGCDRO Nc1ccc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC001236335660 1099544702 /nfs/dbraw/zinc/54/47/02/1099544702.db2.gz SIIAAURVUXNLMC-UHFFFAOYSA-N 1 0 300.377 3.493 20 10 DGCDRO Oc1ccccc1CN(Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236393706 1099572203 /nfs/dbraw/zinc/57/22/03/1099572203.db2.gz LZWMDJFNSIQMDR-GOSISDBHSA-N 1 0 314.404 3.286 20 10 DGCDRO CCN(Cc1c(O)ccc(Cl)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236412111 1099585486 /nfs/dbraw/zinc/58/54/86/1099585486.db2.gz RBKLWURDLDUABU-JTQLQIEISA-N 1 0 303.233 3.130 20 10 DGCDRO CC(C)N(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC001236530102 1099664734 /nfs/dbraw/zinc/66/47/34/1099664734.db2.gz PEMIWWSQMKEDRW-IBGZPJMESA-N 1 0 301.478 3.249 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC(Cc3ccncc3)CC2)c1 ZINC001203680338 1099736321 /nfs/dbraw/zinc/73/63/21/1099736321.db2.gz QBLWXRLVSXPUDJ-UHFFFAOYSA-N 1 0 312.413 3.251 20 10 DGCDRO COc1cc(C[NH+]2CC3CC(C3)C2)c(O)cc1Br ZINC001236752511 1099772420 /nfs/dbraw/zinc/77/24/20/1099772420.db2.gz YOVGTFWWCHAHEF-UHFFFAOYSA-N 1 0 312.207 3.005 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2cccc(F)c2)cc1OC ZINC001236755116 1099772695 /nfs/dbraw/zinc/77/26/95/1099772695.db2.gz ZCKZPRAADNVVNJ-UHFFFAOYSA-N 1 0 319.376 3.223 20 10 DGCDRO Oc1cc(C[N@@H+]2CCC23CCCC3)c(O)cc1Br ZINC001236767719 1099776146 /nfs/dbraw/zinc/77/61/46/1099776146.db2.gz MJANYSPRCMSBFP-UHFFFAOYSA-N 1 0 312.207 3.379 20 10 DGCDRO CCc1ccc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001236784655 1099782710 /nfs/dbraw/zinc/78/27/10/1099782710.db2.gz XWPFYQXJZFKDQZ-UHFFFAOYSA-N 1 0 322.449 3.253 20 10 DGCDRO C[N@H+](Cc1cc(OCc2ccccc2)ccc1O)[C@@H]1CCOC1 ZINC001236787617 1099785780 /nfs/dbraw/zinc/78/57/80/1099785780.db2.gz BIWMRXNQUIMWNR-QGZVFWFLSA-N 1 0 313.397 3.192 20 10 DGCDRO Cc1nc(CC[N@@H+](C)Cc2cc(Cl)c(Cl)cc2[O-])no1 ZINC001236794290 1099787884 /nfs/dbraw/zinc/78/78/84/1099787884.db2.gz RHGXXNRUIXEPET-UHFFFAOYSA-N 1 0 316.188 3.065 20 10 DGCDRO CCc1ccc(C[N@H+](C)Cc2cccc(C(=O)OC)c2)c(O)c1 ZINC001236791726 1099788382 /nfs/dbraw/zinc/78/83/82/1099788382.db2.gz IYCNTZSAZNOFRG-UHFFFAOYSA-N 1 0 313.397 3.373 20 10 DGCDRO CCc1ccc(C[NH+]2CCC(c3noc(C)n3)CC2)c(O)c1 ZINC001236793836 1099788938 /nfs/dbraw/zinc/78/89/38/1099788938.db2.gz FQCDLYSFIANEGW-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(CC)cc1O ZINC001236794417 1099790956 /nfs/dbraw/zinc/79/09/56/1099790956.db2.gz MHZQCHGKECIFIS-CZUORRHYSA-N 1 0 305.418 3.118 20 10 DGCDRO CCc1ccc(C[NH+]2CCN(c3ncc(C)s3)CC2)c(O)c1 ZINC001236794284 1099791280 /nfs/dbraw/zinc/79/12/80/1099791280.db2.gz KQTUUYCRFZRWNG-UHFFFAOYSA-N 1 0 317.458 3.042 20 10 DGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1c(O)cc(OC)cc1Cl ZINC001236797829 1099793397 /nfs/dbraw/zinc/79/33/97/1099793397.db2.gz BDFLLNCCHVUFQJ-GFCCVEGCSA-N 1 0 313.825 3.445 20 10 DGCDRO COc1cc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC001236799770 1099793970 /nfs/dbraw/zinc/79/39/70/1099793970.db2.gz QKXMTTQVERVRNC-ZDUSSCGKSA-N 1 0 324.852 3.114 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c(Cl)c1 ZINC001236799070 1099793985 /nfs/dbraw/zinc/79/39/85/1099793985.db2.gz RBFINFNYTXHUGH-ZBEGNZNMSA-N 1 0 313.825 3.037 20 10 DGCDRO C[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2O)C[C@H](C)[N@H+]1C ZINC001236800702 1099794036 /nfs/dbraw/zinc/79/40/36/1099794036.db2.gz XRMQJYLSRVYQTO-AOOOYVTPSA-N 1 0 303.233 3.223 20 10 DGCDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC001236799769 1099794194 /nfs/dbraw/zinc/79/41/94/1099794194.db2.gz QKXMTTQVERVRNC-CYBMUJFWSA-N 1 0 324.852 3.114 20 10 DGCDRO COc1cc(C)c(CN2CC[NH+](CC3CCCC3)CC2)c(O)c1 ZINC001236813447 1099803178 /nfs/dbraw/zinc/80/31/78/1099803178.db2.gz KUVFQURPXMYZRH-UHFFFAOYSA-N 1 0 318.461 3.017 20 10 DGCDRO OC[C@@]1(F)CCC[N@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236827464 1099812458 /nfs/dbraw/zinc/81/24/58/1099812458.db2.gz SLCUVODHRSLQSH-GOSISDBHSA-N 1 0 303.377 3.232 20 10 DGCDRO C[N@H+](Cc1cc2ccccc2cc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001236834751 1099819753 /nfs/dbraw/zinc/81/97/53/1099819753.db2.gz BXUXAZGZFVRJLI-QGZVFWFLSA-N 1 0 313.397 3.273 20 10 DGCDRO Clc1cc(N2CCOCC2)ccc1C[NH+]1CC2CC(C2)C1 ZINC001236929303 1099880228 /nfs/dbraw/zinc/88/02/28/1099880228.db2.gz DPRWZCBSXJHLCD-UHFFFAOYSA-N 1 0 306.837 3.018 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCN[C@H](C(F)(F)F)C2)c1O ZINC001236978380 1099901820 /nfs/dbraw/zinc/90/18/20/1099901820.db2.gz BDSFSFFVZVEDAR-ZDUSSCGKSA-N 1 0 316.367 3.026 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CCCO1 ZINC000691675429 1099920273 /nfs/dbraw/zinc/92/02/73/1099920273.db2.gz IQIJDWZMJGFQTD-ZDUSSCGKSA-N 1 0 314.223 3.156 20 10 DGCDRO COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N)cc2)cc1 ZINC001237044185 1099941651 /nfs/dbraw/zinc/94/16/51/1099941651.db2.gz UXMJISQNIQOHSN-GOSISDBHSA-N 1 0 310.397 3.393 20 10 DGCDRO CC(C)c1ccc(C[N@H+](C)CCNC(=O)OC(C)(C)C)c(O)c1 ZINC001237045906 1099943187 /nfs/dbraw/zinc/94/31/87/1099943187.db2.gz MUXCBLDNWJQESW-UHFFFAOYSA-N 1 0 322.449 3.472 20 10 DGCDRO CC(C)c1ccc(CN2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)c(O)c1 ZINC001237050073 1099943698 /nfs/dbraw/zinc/94/36/98/1099943698.db2.gz XFDFUXVXFNYDCV-YDHLFZDLSA-N 1 0 315.335 3.420 20 10 DGCDRO CC(C)c1ccc(C[N@@H+]2CCN(C)c3ncccc3C2)c(O)c1 ZINC001237048743 1099944753 /nfs/dbraw/zinc/94/47/53/1099944753.db2.gz OOVAENOETFCVKN-UHFFFAOYSA-N 1 0 311.429 3.363 20 10 DGCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237049678 1099945517 /nfs/dbraw/zinc/94/55/17/1099945517.db2.gz RLZDDVXYZQZIMY-AWEZNQCLSA-N 1 0 305.418 3.291 20 10 DGCDRO CCC(=O)N(C)C1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237055927 1099948158 /nfs/dbraw/zinc/94/81/58/1099948158.db2.gz SFOJFZLUSUJHCM-UHFFFAOYSA-N 1 0 318.461 3.348 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237052898 1099948281 /nfs/dbraw/zinc/94/82/81/1099948281.db2.gz DSHSHPTXFDWOBN-WCFLWFBJSA-N 1 0 319.298 3.123 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C2)c(Br)c1 ZINC001237065486 1099952192 /nfs/dbraw/zinc/95/21/92/1099952192.db2.gz PKGODWSNYSFBRB-SECBINFHSA-N 1 0 300.196 3.005 20 10 DGCDRO CC[C@@H](C)[N@H+](C)Cc1c(O)cc(OC)cc1Br ZINC001237064345 1099953673 /nfs/dbraw/zinc/95/36/73/1099953673.db2.gz HQDASNUYDKDGND-SECBINFHSA-N 1 0 302.212 3.394 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001237080352 1099957557 /nfs/dbraw/zinc/95/75/57/1099957557.db2.gz AQKFMMVRYQGYMP-LLVKDONJSA-N 1 0 315.244 3.369 20 10 DGCDRO CCC1(O)CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237123889 1099981534 /nfs/dbraw/zinc/98/15/34/1099981534.db2.gz UNXOXUOYMNWVPR-UHFFFAOYSA-N 1 0 319.323 3.028 20 10 DGCDRO C[C@H]1C[C@@H](CF)N(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237121572 1099981639 /nfs/dbraw/zinc/98/16/39/1099981639.db2.gz XPULFOKKKKLHIH-UWVGGRQHSA-N 1 0 307.287 3.471 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[NH+](C2CCC2)CC1 ZINC001237138858 1099990945 /nfs/dbraw/zinc/99/09/45/1099990945.db2.gz ZPACAAMWUCNUJT-UHFFFAOYSA-N 1 0 314.351 3.081 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237142282 1099993004 /nfs/dbraw/zinc/99/30/04/1099993004.db2.gz GJWOWIBYKRUFNT-HZMBPMFUSA-N 1 0 301.308 3.022 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH2+]C3=CCCC[C@H]32)c(Cl)c1 ZINC001237226833 1100040625 /nfs/dbraw/zinc/04/06/25/1100040625.db2.gz ZLZBBQBMROWMHF-QGZVFWFLSA-N 1 0 305.853 3.248 20 10 DGCDRO Oc1ccc(C[NH+]2CCC3(Cc4ccccc4N3)CC2)cc1O ZINC001237334279 1100082330 /nfs/dbraw/zinc/08/23/30/1100082330.db2.gz QXXGSKNRBHJGLW-UHFFFAOYSA-N 1 0 310.397 3.101 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001237487224 1100139874 /nfs/dbraw/zinc/13/98/74/1100139874.db2.gz HBXITDMVTNRVFO-ICSRJNTNSA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2ccccc2F)CC1 ZINC001237490138 1100140771 /nfs/dbraw/zinc/14/07/71/1100140771.db2.gz QCEKETKONIQRCR-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(CCc2cccs2)CC1 ZINC001237488914 1100141149 /nfs/dbraw/zinc/14/11/49/1100141149.db2.gz ATPYHSMOYIGLJE-UHFFFAOYSA-N 1 0 316.470 3.122 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC001237490222 1100141182 /nfs/dbraw/zinc/14/11/82/1100141182.db2.gz SEVYCCBYANMVRN-UHFFFAOYSA-N 1 0 310.441 3.409 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001237492426 1100143451 /nfs/dbraw/zinc/14/34/51/1100143451.db2.gz PGIRYSPFCQHATN-KRWDZBQOSA-N 1 0 310.441 3.407 20 10 DGCDRO CN1CC[C@@H]([N@H+](C)Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237646260 1100202213 /nfs/dbraw/zinc/20/22/13/1100202213.db2.gz MKMBYBIDSAMTRE-GOSISDBHSA-N 1 0 314.404 3.334 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1O ZINC001237686282 1100213724 /nfs/dbraw/zinc/21/37/24/1100213724.db2.gz JWYQVLMCEQOMFO-GFCCVEGCSA-N 1 0 301.814 3.383 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCc3c(=O)[nH]ccc3C2)c1O ZINC001237687465 1100213851 /nfs/dbraw/zinc/21/38/51/1100213851.db2.gz CKCDABRCJIYFDI-UHFFFAOYSA-N 1 0 304.777 3.013 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)[C@H]1C ZINC001237687149 1100214062 /nfs/dbraw/zinc/21/40/62/1100214062.db2.gz RMYPSTUCOQRNHI-SMDDNHRTSA-N 1 0 311.809 3.128 20 10 DGCDRO CCO[C@@H]1CC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237683492 1100214429 /nfs/dbraw/zinc/21/44/29/1100214429.db2.gz BGVVKJMVWGTPHI-GFCCVEGCSA-N 1 0 314.223 3.074 20 10 DGCDRO CCOC(=O)CCCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001190444790 1100266453 /nfs/dbraw/zinc/26/64/53/1100266453.db2.gz CXAGCEKCDJLDNZ-UHFFFAOYSA-N 1 0 318.461 3.450 20 10 DGCDRO Cc1cc(F)cc(CN(CC[NH+](C)C)Cc2ccccc2)c1O ZINC001238057867 1100343669 /nfs/dbraw/zinc/34/36/69/1100343669.db2.gz PDSJKQKYOFTCMX-UHFFFAOYSA-N 1 0 316.420 3.404 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c1O ZINC001238062465 1100345521 /nfs/dbraw/zinc/34/55/21/1100345521.db2.gz QHEAJQRNULMOIL-KRWDZBQOSA-N 1 0 316.376 3.278 20 10 DGCDRO COC(=O)CC[N@H+](Cc1cc(F)cc(C)c1O)C1CCCC1 ZINC001238061440 1100346814 /nfs/dbraw/zinc/34/68/14/1100346814.db2.gz HWFHWNPXQYCVHV-UHFFFAOYSA-N 1 0 309.381 3.147 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c1O ZINC001238066701 1100348038 /nfs/dbraw/zinc/34/80/38/1100348038.db2.gz JBNIKOZHWLZMGK-ZDUSSCGKSA-N 1 0 323.408 3.393 20 10 DGCDRO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001205545184 1100353245 /nfs/dbraw/zinc/35/32/45/1100353245.db2.gz AEYRQSULVGTYNB-CQSZACIVSA-N 1 0 321.223 3.352 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1cnccn1)Cc1ccco1 ZINC001192011363 1100561376 /nfs/dbraw/zinc/56/13/76/1100561376.db2.gz BIGGISCVTRELTI-UHFFFAOYSA-N 1 0 309.369 3.020 20 10 DGCDRO CCNc1nc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cs1 ZINC001192780317 1100659828 /nfs/dbraw/zinc/65/98/28/1100659828.db2.gz CROZYUPAECUEIB-SNVBAGLBSA-N 1 0 307.419 3.140 20 10 DGCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cncc(C)c2)n1C ZINC001240801278 1101142462 /nfs/dbraw/zinc/14/24/62/1101142462.db2.gz BNBUGXRMODFBHK-UHFFFAOYSA-N 1 0 309.369 3.429 20 10 DGCDRO COc1ccccc1C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203882508 1101643906 /nfs/dbraw/zinc/64/39/06/1101643906.db2.gz 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1103165351 /nfs/dbraw/zinc/16/53/51/1103165351.db2.gz XPHKESYPCOKNTJ-QAQDUYKDSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1cc(CN2CCCc3cc(C[NH3+])ccc32)ccc1F ZINC001326991562 1103495658 /nfs/dbraw/zinc/49/56/58/1103495658.db2.gz SZYMZTHMHIXXJK-UHFFFAOYSA-N 1 0 300.377 3.246 20 10 DGCDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001327264001 1103605653 /nfs/dbraw/zinc/60/56/53/1103605653.db2.gz NRICZDYLHXESRX-UZLBHIALSA-N 1 0 310.441 3.499 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC001327882522 1103753801 /nfs/dbraw/zinc/75/38/01/1103753801.db2.gz ZDBCVTHWSVGHJL-LTDCPUDJSA-N 1 0 300.446 3.300 20 10 DGCDRO CC(C)c1noc(CC[NH2+][C@H](C)c2ccc(Cl)cc2O)n1 ZINC001328713884 1104032497 /nfs/dbraw/zinc/03/24/97/1104032497.db2.gz OFSBZJKZTUJFQS-SNVBAGLBSA-N 1 0 309.797 3.445 20 10 DGCDRO C[C@H]1C[C@H](CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC001329009168 1104122080 /nfs/dbraw/zinc/12/20/80/1104122080.db2.gz PMNNEACBJWAEQD-QWHCGFSZSA-N 1 0 312.404 3.326 20 10 DGCDRO c1cc(N2CCCC2)ccc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC001329135433 1104166626 /nfs/dbraw/zinc/16/66/26/1104166626.db2.gz QPBRFAOCBNKZPP-UHFFFAOYSA-N 1 0 323.440 3.381 20 10 DGCDRO O=c1cc(-c2ccc3c[nH+]cn3c2)ccn1Cc1ccc(F)cc1 ZINC001245897389 1104294273 /nfs/dbraw/zinc/29/42/73/1104294273.db2.gz QJLCYGMYAWZMIW-UHFFFAOYSA-N 1 0 319.339 3.350 20 10 DGCDRO Nc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)cc1 ZINC001246172279 1104418933 /nfs/dbraw/zinc/41/89/33/1104418933.db2.gz QICFWDZKIFZPFJ-CYBMUJFWSA-N 1 0 306.331 3.333 20 10 DGCDRO c1ccc(C[C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)CC[NH2+]2)cc1 ZINC001246199215 1104434019 /nfs/dbraw/zinc/43/40/19/1104434019.db2.gz KRYLOTLXBVNDDT-VQTJNVASSA-N 1 0 322.452 3.074 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)cc1C ZINC001246345513 1104501062 /nfs/dbraw/zinc/50/10/62/1104501062.db2.gz IQFKAPNPBBZPOB-WOJBJXKFSA-N 1 0 324.468 3.457 20 10 DGCDRO CC(C)(O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001330638598 1104601767 /nfs/dbraw/zinc/60/17/67/1104601767.db2.gz MRXCYNGAQWNVAY-UHFFFAOYSA-N 1 0 302.462 3.270 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001275217494 1104680531 /nfs/dbraw/zinc/68/05/31/1104680531.db2.gz QLWHQWXMHUZPMR-SUMWQHHRSA-N 1 0 320.864 3.494 20 10 DGCDRO Cc1ccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)nc2c1F ZINC001247009846 1104775940 /nfs/dbraw/zinc/77/59/40/1104775940.db2.gz DQAGGAHQZHHLHI-UHFFFAOYSA-N 1 0 310.376 3.087 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C3(C[NH3+])CC3)n2)cc1 ZINC001247455659 1104906492 /nfs/dbraw/zinc/90/64/92/1104906492.db2.gz KHKIMXMCRJCKPV-UHFFFAOYSA-N 1 0 308.385 3.134 20 10 DGCDRO Cc1ccc(C)c(CN2CC3(C2)C[NH+](C2CCCC2)C3)c1O ZINC001275969097 1104971658 /nfs/dbraw/zinc/97/16/58/1104971658.db2.gz ZQBPVURPFKMSRD-UHFFFAOYSA-N 1 0 300.446 3.069 20 10 DGCDRO COC(=O)Cc1ccc(C[NH+](CC(C)C)CC(C)C)c(O)c1 ZINC001249172480 1105239143 /nfs/dbraw/zinc/23/91/43/1105239143.db2.gz NNAOZLVNEOAZPC-UHFFFAOYSA-N 1 0 307.434 3.222 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCC[C@H]1O ZINC001249224323 1105249389 /nfs/dbraw/zinc/24/93/89/1105249389.db2.gz XNMZSNVRWCGBNN-CZUORRHYSA-N 1 0 317.429 3.169 20 10 DGCDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249224247 1105249434 /nfs/dbraw/zinc/24/94/34/1105249434.db2.gz WEHOOIJMPMEWEO-AWEZNQCLSA-N 1 0 303.402 3.187 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@@H]([NH3+])C3CC3)n2)cc1 ZINC001249240626 1105255908 /nfs/dbraw/zinc/25/59/08/1105255908.db2.gz GIOKQVNLLHAAHG-QGZVFWFLSA-N 1 0 322.412 3.424 20 10 DGCDRO CCC[C@@H](CC)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001649176284 1105483671 /nfs/dbraw/zinc/48/36/71/1105483671.db2.gz ZTYPMKVBEXMVHY-MRXNPFEDSA-N 1 0 307.457 3.246 20 10 DGCDRO C[N@@H+]1CCCC2(CC[NH+](Cc3cccc(Cl)c3[O-])CC2)C1 ZINC001276380344 1105539174 /nfs/dbraw/zinc/53/91/74/1105539174.db2.gz QDEDKLOGSQDXKY-UHFFFAOYSA-N 1 0 308.853 3.353 20 10 DGCDRO CC(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2O)cc1 ZINC001250768774 1105579990 /nfs/dbraw/zinc/57/99/90/1105579990.db2.gz GOSYDYXHDGLMNT-KRWDZBQOSA-N 1 0 315.413 3.045 20 10 DGCDRO Oc1ccccc1C[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC001252394372 1105775957 /nfs/dbraw/zinc/77/59/57/1105775957.db2.gz NQWCNBHYFRJONR-QGZVFWFLSA-N 1 0 323.392 3.075 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 ZINC001252860096 1105846009 /nfs/dbraw/zinc/84/60/09/1105846009.db2.gz PQNXFVYGZJYFSG-IBGZPJMESA-N 1 0 314.404 3.249 20 10 DGCDRO Cc1cc(C)c(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)c(O)c1 ZINC001253378576 1105931999 /nfs/dbraw/zinc/93/19/99/1105931999.db2.gz PQEKKDPSNTUTTN-KRWDZBQOSA-N 1 0 307.340 3.110 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC001254548534 1106101681 /nfs/dbraw/zinc/10/16/81/1106101681.db2.gz NQMMUYVQVGVWLB-CYBMUJFWSA-N 1 0 300.358 3.330 20 10 DGCDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1O ZINC001254568283 1106105800 /nfs/dbraw/zinc/10/58/00/1106105800.db2.gz YTBAZWMRIGQXCH-ZDUSSCGKSA-N 1 0 300.358 3.363 20 10 DGCDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cnn1C ZINC001254720968 1106135880 /nfs/dbraw/zinc/13/58/80/1106135880.db2.gz DVZUUCSGHONERI-BHDSKKPTSA-N 1 0 303.381 3.472 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CC2CCN(CC2)C1 ZINC001254862895 1106150753 /nfs/dbraw/zinc/15/07/53/1106150753.db2.gz UTZOLVCCVTZOAF-FQEVSTJZSA-N 1 0 313.489 3.203 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001255353878 1106230800 /nfs/dbraw/zinc/23/08/00/1106230800.db2.gz QADGLMYITJHCSI-HUUCEWRRSA-N 1 0 305.418 3.221 20 10 DGCDRO Oc1cc(O)c(CC[NH2+]C2CCC(C(F)(F)F)CC2)cc1O ZINC001255507139 1106260882 /nfs/dbraw/zinc/26/08/82/1106260882.db2.gz BVXRLSCZOCYXIL-UHFFFAOYSA-N 1 0 319.323 3.057 20 10 DGCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1O ZINC001255690132 1106295274 /nfs/dbraw/zinc/29/52/74/1106295274.db2.gz RCTWMLYJBFMPRR-QWRGUYRKSA-N 1 0 319.323 3.057 20 10 DGCDRO c1ccn(-c2ccc(-c3nnc([C@H]4C[NH+]5CCC4CC5)o3)cc2)c1 ZINC001256965949 1106517782 /nfs/dbraw/zinc/51/77/82/1106517782.db2.gz OHQREMAAPKRVCM-KRWDZBQOSA-N 1 0 320.396 3.337 20 10 DGCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001257031395 1106526885 /nfs/dbraw/zinc/52/68/85/1106526885.db2.gz DXTPCMLHJSJESL-IRXDYDNUSA-N 1 0 316.445 3.108 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001257042757 1106528896 /nfs/dbraw/zinc/52/88/96/1106528896.db2.gz QFPORPVNFKSKRI-NUEKZKHPSA-N 1 0 304.434 3.135 20 10 DGCDRO Clc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CO2 ZINC001257948856 1106649064 /nfs/dbraw/zinc/64/90/64/1106649064.db2.gz RWCZQSWQIDJVOG-MRXNPFEDSA-N 1 0 315.800 3.368 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001320253023 1106938924 /nfs/dbraw/zinc/93/89/24/1106938924.db2.gz OFDQYAKVDGEKEG-GJZGRUSLSA-N 1 0 318.461 3.487 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCc1cccc(C(N)=O)c1 ZINC001320419354 1107001365 /nfs/dbraw/zinc/00/13/65/1107001365.db2.gz DUBXTSMVOXATJS-CJNGLKHVSA-N 1 0 324.424 3.180 20 10 DGCDRO CC[C@H](C)C[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320498116 1107026781 /nfs/dbraw/zinc/02/67/81/1107026781.db2.gz QYEVYZOUEVLFRV-HNNXBMFYSA-N 1 0 307.457 3.055 20 10 DGCDRO CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317263371 1107184269 /nfs/dbraw/zinc/18/42/69/1107184269.db2.gz CFNVMDHXVJXLKF-DJIMGWMZSA-N 1 0 318.461 3.034 20 10 DGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321025496 1107225846 /nfs/dbraw/zinc/22/58/46/1107225846.db2.gz PNOIHCJSCDIZHZ-IBGZPJMESA-N 1 0 302.462 3.414 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC001321560105 1107379670 /nfs/dbraw/zinc/37/96/70/1107379670.db2.gz WPLZZNDBWFVDHT-UHFFFAOYSA-N 1 0 324.424 3.145 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC001261390022 1107427989 /nfs/dbraw/zinc/42/79/89/1107427989.db2.gz YRJKTGDMIAAUEP-TUVASFSCSA-N 1 0 316.445 3.130 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC001321942995 1107468740 /nfs/dbraw/zinc/46/87/40/1107468740.db2.gz DQUVYWOWOJYUJA-MOPGFXCFSA-N 1 0 300.446 3.430 20 10 DGCDRO CO[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(C)(C)C ZINC001261787037 1107528898 /nfs/dbraw/zinc/52/88/98/1107528898.db2.gz BAOXXOFDUNMIJW-OAHLLOKOSA-N 1 0 300.393 3.182 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CC(c3ccc(F)cc3)C2)c1O ZINC001262111815 1107623464 /nfs/dbraw/zinc/62/34/64/1107623464.db2.gz QLWJKJYOXVAXBF-UHFFFAOYSA-N 1 0 301.361 3.448 20 10 DGCDRO C[N@H+](Cc1cc2ccccc2[nH]1)Cc1cc2c(cc1O)OCO2 ZINC001323324522 1107938197 /nfs/dbraw/zinc/93/81/97/1107938197.db2.gz WXPPVFUGZMBAPO-UHFFFAOYSA-N 1 0 310.353 3.234 20 10 DGCDRO O[C@H](CCc1ccccc1)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001323786852 1108083122 /nfs/dbraw/zinc/08/31/22/1108083122.db2.gz ZSCAEXFDLRYYAD-OAQYLSRUSA-N 1 0 324.468 3.370 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCNC(=O)C1CCC1 ZINC001323830794 1108099013 /nfs/dbraw/zinc/09/90/13/1108099013.db2.gz TZGKOPOJOZXLRX-DZGCQCFKSA-N 1 0 316.445 3.145 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCC3(OC)CCC3)CC2)cc1 ZINC001324265905 1108229443 /nfs/dbraw/zinc/22/94/43/1108229443.db2.gz GINYSHSWFDXZDS-UHFFFAOYSA-N 1 0 318.461 3.167 20 10 DGCDRO C[C@@H]([N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C ZINC001324725243 1108443195 /nfs/dbraw/zinc/44/31/95/1108443195.db2.gz RNQDUQQRTOGRNL-OAHLLOKOSA-N 1 0 321.484 3.444 20 10 DGCDRO CN(C)c1ccc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)cc1 ZINC001324793551 1108466952 /nfs/dbraw/zinc/46/69/52/1108466952.db2.gz QKQFWWWUHLJLPC-UHFFFAOYSA-N 1 0 300.450 3.405 20 10 DGCDRO CCSC[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000700992009 1108884107 /nfs/dbraw/zinc/88/41/07/1108884107.db2.gz FEGZVDMRGNEZJZ-VIFPVBQESA-N 1 0 304.253 3.386 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1 ZINC000393417282 1109009223 /nfs/dbraw/zinc/00/92/23/1109009223.db2.gz JUWGKVMCHHGQTB-VQFNDLOPSA-N 1 0 302.462 3.438 20 10 DGCDRO CCC1(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001282184376 1109464628 /nfs/dbraw/zinc/46/46/28/1109464628.db2.gz JDWOUNFKIHNGMM-GJZGRUSLSA-N 1 0 318.461 3.177 20 10 DGCDRO CCCC(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001284561663 1109812716 /nfs/dbraw/zinc/81/27/16/1109812716.db2.gz DEHQMXNCGJRXDQ-KRWDZBQOSA-N 1 0 320.477 3.424 20 10 DGCDRO CC[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001284745348 1109853917 /nfs/dbraw/zinc/85/39/17/1109853917.db2.gz WXXFSKKIZVPCSY-NVPAJSRCSA-N 1 0 318.461 3.129 20 10 DGCDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308264506 1111407805 /nfs/dbraw/zinc/40/78/05/1111407805.db2.gz PLOXTENUKPESIV-KSSFIOAISA-N 1 0 316.420 3.146 20 10 DGCDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308264504 1111407959 /nfs/dbraw/zinc/40/79/59/1111407959.db2.gz PLOXTENUKPESIV-KBXCAEBGSA-N 1 0 316.420 3.146 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cc(F)ccc3F)cc2)CC1 ZINC001308346725 1111419685 /nfs/dbraw/zinc/41/96/85/1111419685.db2.gz LFLMKRLNRUJPLB-UHFFFAOYSA-N 1 0 317.383 3.329 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)Cc2ccccc2C)c(Cl)c1 ZINC001308375256 1111423017 /nfs/dbraw/zinc/42/30/17/1111423017.db2.gz ZINXEKQKGGGYFY-OAHLLOKOSA-N 1 0 319.832 3.356 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC001308374194 1111423120 /nfs/dbraw/zinc/42/31/20/1111423120.db2.gz ZOTWOOQJARJQQJ-OAHLLOKOSA-N 1 0 319.832 3.356 20 10 DGCDRO CCCC[N@H+](C)C[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001308422905 1111427301 /nfs/dbraw/zinc/42/73/01/1111427301.db2.gz VMJBJTLJYFYCEU-CYBMUJFWSA-N 1 0 313.436 3.241 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c(Cl)c1 ZINC001308524481 1111438278 /nfs/dbraw/zinc/43/82/78/1111438278.db2.gz YITWGOFVQPOAIM-AWEZNQCLSA-N 1 0 323.795 3.186 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)cc1F ZINC001308531013 1111438944 /nfs/dbraw/zinc/43/89/44/1111438944.db2.gz YDUMJXWBQGCHBL-HNNXBMFYSA-N 1 0 306.425 3.473 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc(Cl)o2)N(C)C)cc1 ZINC001308542987 1111440178 /nfs/dbraw/zinc/44/01/78/1111440178.db2.gz FHZVLVDDIRFIIH-MRXNPFEDSA-N 1 0 321.852 3.392 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H]2CC=CCC2)N(C)C)cc1 ZINC001308543514 1111441114 /nfs/dbraw/zinc/44/11/14/1111441114.db2.gz IFPDGLMRDACFSV-QFBILLFUSA-N 1 0 301.478 3.301 20 10 DGCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(Cl)cc2O)cc1 ZINC001308625348 1111452772 /nfs/dbraw/zinc/45/27/72/1111452772.db2.gz ZLWNKIVIPZXIIK-MRXNPFEDSA-N 1 0 321.804 3.220 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)OC)C2)c1O ZINC001308675521 1111458782 /nfs/dbraw/zinc/45/87/82/1111458782.db2.gz DCVWFZSUPGUNHC-INIZCTEOSA-N 1 0 319.445 3.366 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c(O)c1 ZINC001308758417 1111470942 /nfs/dbraw/zinc/47/09/42/1111470942.db2.gz SGYYLSANQTUSGM-HUUCEWRRSA-N 1 0 307.434 3.225 20 10 DGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1O ZINC001308878528 1111487881 /nfs/dbraw/zinc/48/78/81/1111487881.db2.gz QBOZAKJGXMNGNP-PXAZEXFGSA-N 1 0 305.805 3.300 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)CC(F)(F)F)C2CC2)cc1 ZINC000276342231 282288933 /nfs/dbraw/zinc/28/89/33/282288933.db2.gz ISSXDCNVADDIAG-OAHLLOKOSA-N 1 0 316.367 3.030 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000083551965 192372222 /nfs/dbraw/zinc/37/22/22/192372222.db2.gz NKHBTUWEILBUOP-SNVBAGLBSA-N 1 0 322.758 3.019 20 10 DGCDRO CN(C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1cccs1 ZINC000083551395 192372310 /nfs/dbraw/zinc/37/23/10/192372310.db2.gz DMZFWSMUIWEEGH-ZDUSSCGKSA-N 1 0 310.850 3.500 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000106856776 432023039 /nfs/dbraw/zinc/02/30/39/432023039.db2.gz PQZMJKQPOACTBB-OAHLLOKOSA-N 1 0 320.433 3.108 20 10 DGCDRO Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000164616168 432050604 /nfs/dbraw/zinc/05/06/04/432050604.db2.gz SBEIMSPLOCYLSE-OAHLLOKOSA-N 1 0 300.450 3.389 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000179374507 432055744 /nfs/dbraw/zinc/05/57/44/432055744.db2.gz SGQWENLXLXHHPV-QGZVFWFLSA-N 1 0 318.461 3.118 20 10 DGCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000188491776 200255550 /nfs/dbraw/zinc/25/55/50/200255550.db2.gz UGEHWAKYIITWJS-OLZOCXBDSA-N 1 0 300.402 3.063 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000091960312 193133356 /nfs/dbraw/zinc/13/33/56/193133356.db2.gz QQROXWRHXDPXKM-GOEBONIOSA-N 1 0 315.417 3.071 20 10 DGCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000092145893 193167540 /nfs/dbraw/zinc/16/75/40/193167540.db2.gz DDVYGMIHHCDVBQ-UHFFFAOYSA-N 1 0 318.461 3.171 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459498935 243391247 /nfs/dbraw/zinc/39/12/47/243391247.db2.gz CVPVBXULWYFXDR-UHFFFAOYSA-N 1 0 306.413 3.444 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1O ZINC000183432606 296131940 /nfs/dbraw/zinc/13/19/40/296131940.db2.gz DDXLYPKNEYERAD-CXAGYDPISA-N 1 0 302.393 3.485 20 10 DGCDRO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccccc1O ZINC000246429592 432131060 /nfs/dbraw/zinc/13/10/60/432131060.db2.gz CNAHBKXCZZYZET-ZNMIVQPWSA-N 1 0 304.434 3.002 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCn2ccnc2C)cc1 ZINC000268911686 432146165 /nfs/dbraw/zinc/14/61/65/432146165.db2.gz ZAVGWPWOBRCQRY-HNNXBMFYSA-N 1 0 300.450 3.389 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000268914887 432146882 /nfs/dbraw/zinc/14/68/82/432146882.db2.gz NPQCMJWNMMXVBM-KUHUBIRLSA-N 1 0 314.429 3.145 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCn2ccnc2C)cc1 ZINC000268911688 432147538 /nfs/dbraw/zinc/14/75/38/432147538.db2.gz ZAVGWPWOBRCQRY-OAHLLOKOSA-N 1 0 300.450 3.389 20 10 DGCDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268973919 432148324 /nfs/dbraw/zinc/14/83/24/432148324.db2.gz ZVVXALMBPPRVOV-GJZGRUSLSA-N 1 0 308.441 3.485 20 10 DGCDRO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3O)C2)c1 ZINC000272831033 130067918 /nfs/dbraw/zinc/06/79/18/130067918.db2.gz HXJTUFCFCCSTLC-LSDHHAIUSA-N 1 0 312.413 3.330 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1O ZINC000272875675 130071545 /nfs/dbraw/zinc/07/15/45/130071545.db2.gz PQGLMAMKLHAZHA-OAHLLOKOSA-N 1 0 312.413 3.080 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000273028951 130084073 /nfs/dbraw/zinc/08/40/73/130084073.db2.gz FWWPWYXNPXKFOC-GJZGRUSLSA-N 1 0 307.434 3.476 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000273179305 130094628 /nfs/dbraw/zinc/09/46/28/130094628.db2.gz XJKWFTIMSCEVPV-CQSZACIVSA-N 1 0 305.805 3.129 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)N(C)C)c1cc(Br)ccc1O ZINC000273306022 130105508 /nfs/dbraw/zinc/10/55/08/130105508.db2.gz CTILWWTVYVPHIK-JTQLQIEISA-N 1 0 315.255 3.146 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c(O)c1C ZINC000273467882 130125044 /nfs/dbraw/zinc/12/50/44/130125044.db2.gz FCGUOKZOLNZVSO-WMLDXEAASA-N 1 0 308.491 3.097 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c(O)c1C ZINC000273467885 130125461 /nfs/dbraw/zinc/12/54/61/130125461.db2.gz FCGUOKZOLNZVSO-YOEHRIQHSA-N 1 0 308.491 3.097 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H](O)c1cccc(F)c1 ZINC000273533275 130134096 /nfs/dbraw/zinc/13/40/96/130134096.db2.gz WUXVQHMWWYFPGO-RVPKQNPDSA-N 1 0 307.340 3.443 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(Br)cc1O ZINC000273604561 130143524 /nfs/dbraw/zinc/14/35/24/130143524.db2.gz SUQBKEJURMUDLZ-DCAQKATOSA-N 1 0 314.223 3.230 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn3ccc(C)cc3n2)c1 ZINC000273621841 130147394 /nfs/dbraw/zinc/14/73/94/130147394.db2.gz ZISATVHTDMMFSZ-CYBMUJFWSA-N 1 0 311.385 3.208 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1O ZINC000273692957 130153755 /nfs/dbraw/zinc/15/37/55/130153755.db2.gz BOQYNNNJIMSVIN-ZDUSSCGKSA-N 1 0 311.809 3.246 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c1O ZINC000273723025 130158984 /nfs/dbraw/zinc/15/89/84/130158984.db2.gz ISHUPWOPHZTTGZ-RYUDHWBXSA-N 1 0 313.825 3.349 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1O ZINC000273750124 130162189 /nfs/dbraw/zinc/16/21/89/130162189.db2.gz NJTUJRAGBHBAFT-LLVKDONJSA-N 1 0 321.808 3.157 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC000274399049 130231264 /nfs/dbraw/zinc/23/12/64/130231264.db2.gz MLDAXXZNUNCJMB-CYBMUJFWSA-N 1 0 308.422 3.012 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccccc1O ZINC000274934487 130275604 /nfs/dbraw/zinc/27/56/04/130275604.db2.gz RPLAWHRNYFZNHK-GJZGRUSLSA-N 1 0 307.340 3.445 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)CCO)c1O ZINC000275346222 130308501 /nfs/dbraw/zinc/30/85/01/130308501.db2.gz PSMOSFVAZFJOGW-KOLCDFICSA-N 1 0 316.239 3.132 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1O ZINC000283374794 130985471 /nfs/dbraw/zinc/98/54/71/130985471.db2.gz OHCUTICLQFDTSP-QILLFSRXSA-N 1 0 319.445 3.001 20 10 DGCDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1cc(Br)ccc1O ZINC000284226675 131061290 /nfs/dbraw/zinc/06/12/90/131061290.db2.gz DCWCIEOZWCTJHM-SNVBAGLBSA-N 1 0 314.223 3.110 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)n(C)n1 ZINC000284447790 131082045 /nfs/dbraw/zinc/08/20/45/131082045.db2.gz SIAWQHPBKZTMCJ-SNVBAGLBSA-N 1 0 324.222 3.047 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000284975045 131127309 /nfs/dbraw/zinc/12/73/09/131127309.db2.gz FWEVTFBMXSXRGN-RHSMWYFYSA-N 1 0 317.404 3.402 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)[C@]12CCCO2 ZINC000285394044 131164527 /nfs/dbraw/zinc/16/45/27/131164527.db2.gz WVUFQYIHZVLISX-NOCIGQNYSA-N 1 0 319.445 3.386 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000285518993 131176469 /nfs/dbraw/zinc/17/64/69/131176469.db2.gz BRKVBECQOSJPRD-MZMPZRCHSA-N 1 0 317.477 3.097 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)c1ccc2c[nH+]cn2c1 ZINC000289132002 131360295 /nfs/dbraw/zinc/36/02/95/131360295.db2.gz VIBGQRASLHEMAS-UHFFFAOYSA-N 1 0 323.396 3.482 20 10 DGCDRO COc1cccc(C[NH2+]CCCc2ccc3c(c2)CCO3)c1O ZINC000289186377 131364659 /nfs/dbraw/zinc/36/46/59/131364659.db2.gz BAHVVOSCHDYQDV-UHFFFAOYSA-N 1 0 313.397 3.058 20 10 DGCDRO OC[C@]1(F)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000289379515 131380628 /nfs/dbraw/zinc/38/06/28/131380628.db2.gz BRHKQNUOSUMIES-IBGZPJMESA-N 1 0 315.388 3.356 20 10 DGCDRO COc1cccc(CN(CC[NH+](C)C)Cc2cccs2)c1O ZINC000289481670 131389891 /nfs/dbraw/zinc/38/98/91/131389891.db2.gz QPWKTALRRBKHKU-UHFFFAOYSA-N 1 0 320.458 3.026 20 10 DGCDRO Cc1cnccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294502048 131839277 /nfs/dbraw/zinc/83/92/77/131839277.db2.gz BJYPJLQFGAHROJ-GOSISDBHSA-N 1 0 312.413 3.277 20 10 DGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297651727 132026754 /nfs/dbraw/zinc/02/67/54/132026754.db2.gz KEVDJAXVUBHCTC-QGZVFWFLSA-N 1 0 324.424 3.018 20 10 DGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccco3)cc2F)C[C@H](C)O1 ZINC000069751725 400341074 /nfs/dbraw/zinc/34/10/74/400341074.db2.gz ZPHQINLGFLRWQS-OKILXGFUSA-N 1 0 318.392 3.322 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1OC ZINC000160383072 286238979 /nfs/dbraw/zinc/23/89/79/286238979.db2.gz IVZFWFNBTRBSSD-GUYCJALGSA-N 1 0 323.458 3.269 20 10 DGCDRO O=C(NCc1ccccc1O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000269138811 432154131 /nfs/dbraw/zinc/15/41/31/432154131.db2.gz LBLQKAUKVXKJDT-SFHVURJKSA-N 1 0 324.424 3.063 20 10 DGCDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151146313 432223887 /nfs/dbraw/zinc/22/38/87/432223887.db2.gz UBXABLTYVFVRAY-AWEZNQCLSA-N 1 0 316.424 3.400 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(F)ccc1O ZINC000176985554 228322853 /nfs/dbraw/zinc/32/28/53/228322853.db2.gz UKYKRGHVAJBDEW-GHMZBOCLSA-N 1 0 320.330 3.066 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000280748960 274252401 /nfs/dbraw/zinc/25/24/01/274252401.db2.gz COHXQKIXPNGEDD-YPMHNXCESA-N 1 0 316.367 3.286 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCN(c3ccccc3)C1)CC2 ZINC000295989330 275061625 /nfs/dbraw/zinc/06/16/25/275061625.db2.gz NPYWSVLNKVUKAC-CRAIPNDOSA-N 1 0 308.425 3.496 20 10 DGCDRO Cc1c2ccccc2n(C)c1CNc1nc(N(C)C)cc(C)[nH+]1 ZINC000490016727 429273354 /nfs/dbraw/zinc/27/33/54/429273354.db2.gz ZGDYNALEKPWRLY-UHFFFAOYSA-N 1 0 309.417 3.263 20 10 DGCDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1cccs1 ZINC000295992086 276792593 /nfs/dbraw/zinc/79/25/93/276792593.db2.gz NTQKXIJTGTXCKK-ZIAGYGMSSA-N 1 0 302.443 3.334 20 10 DGCDRO COCCC[N@H+](CCOC)Cc1c(O)ccc2ccccc21 ZINC000068963698 431151914 /nfs/dbraw/zinc/15/19/14/431151914.db2.gz GTYZXRHAWWRYMH-UHFFFAOYSA-N 1 0 303.402 3.030 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cccnc3)CC2)cc1 ZINC000112541430 431280710 /nfs/dbraw/zinc/28/07/10/431280710.db2.gz HBPKVPJUBOVIKM-HNNXBMFYSA-N 1 0 311.429 3.410 20 10 DGCDRO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000071004396 431270778 /nfs/dbraw/zinc/27/07/78/431270778.db2.gz GPOIXIKIQSJVHD-UHFFFAOYSA-N 1 0 314.404 3.294 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1F ZINC000113337303 431342716 /nfs/dbraw/zinc/34/27/16/431342716.db2.gz SRNNSKIQTJTFDT-MRXNPFEDSA-N 1 0 300.377 3.374 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)CC2 ZINC000296199990 280454448 /nfs/dbraw/zinc/45/44/48/280454448.db2.gz YWDVIJUBWJBULJ-HOTGVXAUSA-N 1 0 312.413 3.399 20 10 DGCDRO CS[C@@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092064101 431907947 /nfs/dbraw/zinc/90/79/47/431907947.db2.gz GOUPQXYMPCHYOM-GOSISDBHSA-N 1 0 320.502 3.241 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cc(C)c(C)cc2O)ccc1O ZINC000125964371 431939765 /nfs/dbraw/zinc/93/97/65/431939765.db2.gz IZWVLMWBWKEKMG-UHFFFAOYSA-N 1 0 301.386 3.355 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000126048426 431941386 /nfs/dbraw/zinc/94/13/86/431941386.db2.gz CTJBMMQCDTVMKY-NSHDSACASA-N 1 0 302.330 3.160 20 10 DGCDRO COCCOC[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000173390807 432276109 /nfs/dbraw/zinc/27/61/09/432276109.db2.gz ZWKAMWXZHVFJKD-OAHLLOKOSA-N 1 0 315.413 3.030 20 10 DGCDRO COc1cc(OC)c(C[NH2+][C@H](C)c2ccccc2O)c(OC)c1 ZINC000183430032 432293637 /nfs/dbraw/zinc/29/36/37/432293637.db2.gz OHRUQOPOZUFYIG-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000183513728 432299302 /nfs/dbraw/zinc/29/93/02/432299302.db2.gz HQESWEFCHRXNRH-KGLIPLIRSA-N 1 0 320.433 3.442 20 10 DGCDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1cc(F)ccc1O)Cc1ccccc1 ZINC000191779934 432301236 /nfs/dbraw/zinc/30/12/36/432301236.db2.gz LODLQQOSYBKLOF-KUHUBIRLSA-N 1 0 317.404 3.251 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC000248890281 432326752 /nfs/dbraw/zinc/32/67/52/432326752.db2.gz RYDHCBMZDNAAAC-SMDDNHRTSA-N 1 0 311.809 3.055 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000271150116 432338471 /nfs/dbraw/zinc/33/84/71/432338471.db2.gz KBVWQWUMSCEAQA-UHFFFAOYSA-N 1 0 305.418 3.254 20 10 DGCDRO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccccc1O ZINC000183633494 432311070 /nfs/dbraw/zinc/31/10/70/432311070.db2.gz XOUJGSTUQMYSHI-NSHDSACASA-N 1 0 308.328 3.282 20 10 DGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183671533 432314251 /nfs/dbraw/zinc/31/42/51/432314251.db2.gz NJWIYYZREKSAIO-ZDUSSCGKSA-N 1 0 319.426 3.037 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000271302101 432371833 /nfs/dbraw/zinc/37/18/33/432371833.db2.gz UMKXDXHEYUTGEC-NVXWUHKLSA-N 1 0 301.386 3.382 20 10 DGCDRO CC[C@@H]([NH2+]CCCc1nc(C)no1)c1ccc(N(C)C)cc1 ZINC000271464789 432400144 /nfs/dbraw/zinc/40/01/44/432400144.db2.gz KVSJKJHKCIJJFY-MRXNPFEDSA-N 1 0 302.422 3.118 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H](C)CCc2ccco2)cc1OC ZINC000271912499 432428496 /nfs/dbraw/zinc/42/84/96/432428496.db2.gz MPHMOJCFAMCGDS-LBPRGKRZSA-N 1 0 305.374 3.113 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCCC2)c1 ZINC000192952708 432433538 /nfs/dbraw/zinc/43/35/38/432433538.db2.gz LBPHKOZSQDCEKT-YOEHRIQHSA-N 1 0 306.450 3.172 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1cc(F)ccc1O)c1cccc(Cl)c1 ZINC000184961901 432449753 /nfs/dbraw/zinc/44/97/53/432449753.db2.gz SAEMNYIZVQCGAT-MRXNPFEDSA-N 1 0 309.768 3.182 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1O ZINC000193504256 432478121 /nfs/dbraw/zinc/47/81/21/432478121.db2.gz BQVGLWQCVIKKPR-GXTWGEPZSA-N 1 0 316.367 3.317 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)c1 ZINC000185251467 432482847 /nfs/dbraw/zinc/48/28/47/432482847.db2.gz RHPCTCZVFSHGOQ-HNNXBMFYSA-N 1 0 304.434 3.144 20 10 DGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185350738 432494085 /nfs/dbraw/zinc/49/40/85/432494085.db2.gz DDUVKJMWFZIBQT-GFCCVEGCSA-N 1 0 316.357 3.468 20 10 DGCDRO C[C@@H]([NH2+]CCSCCCO)c1cc2c(cc1O)CCCC2 ZINC000185378964 432496436 /nfs/dbraw/zinc/49/64/36/432496436.db2.gz QSFRAISEBOKNJH-CYBMUJFWSA-N 1 0 309.475 3.037 20 10 DGCDRO C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(Cl)ccc1O ZINC000185443972 432499993 /nfs/dbraw/zinc/49/99/93/432499993.db2.gz BMDXFEXVBXMTIT-GFCCVEGCSA-N 1 0 324.852 3.345 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1 ZINC000185443442 432500325 /nfs/dbraw/zinc/50/03/25/432500325.db2.gz CSCQZFRRENBZMA-ZDUSSCGKSA-N 1 0 314.385 3.080 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(Br)ccc1O ZINC000185444766 432500407 /nfs/dbraw/zinc/50/04/07/432500407.db2.gz YYJBEATWRPKHHR-WFBYXXMGSA-N 1 0 314.223 3.109 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)cc1 ZINC000193881830 432507476 /nfs/dbraw/zinc/50/74/76/432507476.db2.gz OAIXTTVIGILNIS-CWRNSKLLSA-N 1 0 304.434 3.135 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)c1 ZINC000154042167 432466444 /nfs/dbraw/zinc/46/64/44/432466444.db2.gz NWHINUJLEJLRDB-UHFFFAOYSA-N 1 0 322.412 3.306 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000186034576 432554803 /nfs/dbraw/zinc/55/48/03/432554803.db2.gz OKPUNASCMZQKHG-GUYCJALGSA-N 1 0 301.386 3.439 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(Br)cc1O ZINC000185609295 432514548 /nfs/dbraw/zinc/51/45/48/432514548.db2.gz DBIMFVJLZMBVLP-JTQLQIEISA-N 1 0 316.239 3.214 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(CCO)CCCCC2)c1 ZINC000185669431 432521928 /nfs/dbraw/zinc/52/19/28/432521928.db2.gz BNZGGYROSRJRJJ-CQSZACIVSA-N 1 0 307.434 3.384 20 10 DGCDRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185827233 432536018 /nfs/dbraw/zinc/53/60/18/432536018.db2.gz OAIAEYVYEDYWBO-SJCJKPOMSA-N 1 0 319.376 3.314 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000194374219 432547022 /nfs/dbraw/zinc/54/70/22/432547022.db2.gz OZHAHVUOISOQRU-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(Br)cc1O ZINC000186234860 432571671 /nfs/dbraw/zinc/57/16/71/432571671.db2.gz LERUSRYUCMLIRS-ZYHUDNBSSA-N 1 0 314.223 3.374 20 10 DGCDRO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273421124 432596496 /nfs/dbraw/zinc/59/64/96/432596496.db2.gz SCXYNUAQPPJMIV-KBPBESRZSA-N 1 0 323.437 3.462 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273463291 432601594 /nfs/dbraw/zinc/60/15/94/432601594.db2.gz IMZFUKAJVSFDHZ-CRAIPNDOSA-N 1 0 324.424 3.152 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1O ZINC000186798064 432632311 /nfs/dbraw/zinc/63/23/11/432632311.db2.gz YYJBEATWRPKHHR-MRCXROJRSA-N 1 0 314.223 3.109 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000178095501 432693098 /nfs/dbraw/zinc/69/30/98/432693098.db2.gz PXSWNLOMTSHLBA-XJKSGUPXSA-N 1 0 305.466 3.097 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000178095527 432693464 /nfs/dbraw/zinc/69/34/64/432693464.db2.gz PXSWNLOMTSHLBA-CZUORRHYSA-N 1 0 305.466 3.097 20 10 DGCDRO Cc1csc(C[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000226036516 432702221 /nfs/dbraw/zinc/70/22/21/432702221.db2.gz PRCOMLLEKGWSFA-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000178182196 432704443 /nfs/dbraw/zinc/70/44/43/432704443.db2.gz QPSQYJHJTSKGLK-SFHVURJKSA-N 1 0 311.429 3.092 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c1O ZINC000224867814 432684178 /nfs/dbraw/zinc/68/41/78/432684178.db2.gz NTLBPRHERMDDCV-OAHLLOKOSA-N 1 0 320.433 3.094 20 10 DGCDRO C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1cc(F)ccc1O ZINC000187904734 432691604 /nfs/dbraw/zinc/69/16/04/432691604.db2.gz KZCGWMMDDDTUOU-SCLBCKFNSA-N 1 0 303.377 3.480 20 10 DGCDRO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000162861226 432836792 /nfs/dbraw/zinc/83/67/92/432836792.db2.gz HVINVHLMRQQWPS-WSTXMBPASA-N 1 0 322.518 3.483 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCCn1cnc3ccccc31)CC2 ZINC000296218076 432884230 /nfs/dbraw/zinc/88/42/30/432884230.db2.gz ZSBDSBRMOHAUBY-MRXNPFEDSA-N 1 0 307.397 3.409 20 10 DGCDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(F)ccc1O ZINC000278186043 432889353 /nfs/dbraw/zinc/88/93/53/432889353.db2.gz BVQQTYFKWQWAHE-QMMMGPOBSA-N 1 0 313.266 3.099 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3CC(F)(F)C3)CC2)cc1F ZINC000296747993 432926477 /nfs/dbraw/zinc/92/64/77/432926477.db2.gz KJKJARYOPOINLD-UHFFFAOYSA-N 1 0 314.351 3.002 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)CC2 ZINC000296883266 432935065 /nfs/dbraw/zinc/93/50/65/432935065.db2.gz OFXLXUWDLKAWPN-HOCLYGCPSA-N 1 0 321.779 3.495 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000278590831 432896510 /nfs/dbraw/zinc/89/65/10/432896510.db2.gz YWYLHMXJQXFCMM-JTQLQIEISA-N 1 0 309.303 3.268 20 10 DGCDRO C[C@@H](c1cc(F)ccc1O)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296473750 432912250 /nfs/dbraw/zinc/91/22/50/432912250.db2.gz NWKCNZQLWZXDSY-QWHCGFSZSA-N 1 0 322.424 3.206 20 10 DGCDRO C[C@H](c1cc(F)ccc1O)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296473744 432912365 /nfs/dbraw/zinc/91/23/65/432912365.db2.gz NWKCNZQLWZXDSY-CHWSQXEVSA-N 1 0 322.424 3.206 20 10 DGCDRO CSC1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000289031856 432915052 /nfs/dbraw/zinc/91/50/52/432915052.db2.gz HBEVNIUDOBPDIA-HNNXBMFYSA-N 1 0 307.459 3.269 20 10 DGCDRO CC(C)c1nnc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000296504544 432916142 /nfs/dbraw/zinc/91/61/42/432916142.db2.gz PGALWERHDAKWNA-LBPRGKRZSA-N 1 0 314.433 3.363 20 10 DGCDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000296537954 432920139 /nfs/dbraw/zinc/92/01/39/432920139.db2.gz QUYOPGKLGAKVSK-QWRGUYRKSA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000296537950 432920447 /nfs/dbraw/zinc/92/04/47/432920447.db2.gz QUYOPGKLGAKVSK-MNOVXSKESA-N 1 0 316.239 3.214 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1C ZINC000289699164 432970398 /nfs/dbraw/zinc/97/03/98/432970398.db2.gz ONQIFPFUUHOWGF-KGLIPLIRSA-N 1 0 317.351 3.002 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000297181476 432970462 /nfs/dbraw/zinc/97/04/62/432970462.db2.gz DYGCEBBZRRZVEU-IFXJQAMLSA-N 1 0 316.420 3.146 20 10 DGCDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(N(C)C)c(F)c1)C2 ZINC000289789232 432975387 /nfs/dbraw/zinc/97/53/87/432975387.db2.gz RXFVSTAUTFIJBX-UHFFFAOYSA-N 1 0 306.425 3.283 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289987136 432980741 /nfs/dbraw/zinc/98/07/41/432980741.db2.gz SDJJLNSTMPGWJP-MRXNPFEDSA-N 1 0 304.825 3.050 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(C)cc1O ZINC000280073924 433001792 /nfs/dbraw/zinc/00/17/92/433001792.db2.gz LDXBCKSDMBKQJT-WBVHZDCISA-N 1 0 308.491 3.179 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(C)cc1O ZINC000280144623 433005390 /nfs/dbraw/zinc/00/53/90/433005390.db2.gz PVYGNYNMLVEWOO-QGZVFWFLSA-N 1 0 312.413 3.301 20 10 DGCDRO CCOCC(C)(C)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000290180424 433006412 /nfs/dbraw/zinc/00/64/12/433006412.db2.gz NQYYCRXVSSBYHJ-UHFFFAOYSA-N 1 0 301.814 3.207 20 10 DGCDRO OCC[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000290286975 433027575 /nfs/dbraw/zinc/02/75/75/433027575.db2.gz ZSRKZCRAGLKNMY-HNNXBMFYSA-N 1 0 309.768 3.398 20 10 DGCDRO C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000290605301 433113257 /nfs/dbraw/zinc/11/32/57/433113257.db2.gz WGKMVTGBPCHZNX-AWEZNQCLSA-N 1 0 308.853 3.209 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000280631221 433114379 /nfs/dbraw/zinc/11/43/79/433114379.db2.gz QKGWDFKBAAEHNV-RISCZKNCSA-N 1 0 316.367 3.022 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCOCC3(CCCC3)C2)c1O ZINC000373567473 433157560 /nfs/dbraw/zinc/15/75/60/433157560.db2.gz ITSWTHRUAKKEGR-UHFFFAOYSA-N 1 0 305.418 3.184 20 10 DGCDRO OC[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCCc2ccccc21 ZINC000374147105 433175890 /nfs/dbraw/zinc/17/58/90/433175890.db2.gz HGPXWSFOBZTAEQ-SFHVURJKSA-N 1 0 317.816 3.359 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1C ZINC000290819802 433177407 /nfs/dbraw/zinc/17/74/07/433177407.db2.gz GSMXLCJCWCYURR-OAHLLOKOSA-N 1 0 305.809 3.306 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1 ZINC000280848863 433198938 /nfs/dbraw/zinc/19/89/38/433198938.db2.gz BJCVACQJTATMAF-NVXWUHKLSA-N 1 0 317.477 3.052 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1C ZINC000291185429 433227986 /nfs/dbraw/zinc/22/79/86/433227986.db2.gz FZTFUMBZENSKMN-HXUWFJFHSA-N 1 0 311.425 3.145 20 10 DGCDRO Oc1ccccc1C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000293014784 433607758 /nfs/dbraw/zinc/60/77/58/433607758.db2.gz OJMISBSALYMEBC-UHFFFAOYSA-N 1 0 315.388 3.413 20 10 DGCDRO C[NH+]1CCC(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293573835 433787617 /nfs/dbraw/zinc/78/76/17/433787617.db2.gz JECOJTQLNZHTFZ-UHFFFAOYSA-N 1 0 300.805 3.006 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000293663494 433819548 /nfs/dbraw/zinc/81/95/48/433819548.db2.gz IVSSBKLFKMQWJL-VXGBXAGGSA-N 1 0 312.841 3.249 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000293700190 433834546 /nfs/dbraw/zinc/83/45/46/433834546.db2.gz LZBRVRQGFTYYSA-GDBMZVCRSA-N 1 0 306.450 3.294 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)c1O ZINC000377353843 433862991 /nfs/dbraw/zinc/86/29/91/433862991.db2.gz DIWRHJZZNIVMJD-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO C[N@H+](CCc1nccs1)Cc1cc(Cl)c(F)cc1[O-] ZINC000294105607 433998593 /nfs/dbraw/zinc/99/85/93/433998593.db2.gz FKNXOVQQGISEPL-UHFFFAOYSA-N 1 0 300.786 3.316 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1F ZINC000378338181 434145408 /nfs/dbraw/zinc/14/54/08/434145408.db2.gz XXXGJUVIJITZBH-HNNXBMFYSA-N 1 0 316.424 3.005 20 10 DGCDRO C[C@H](CCO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294958585 434153953 /nfs/dbraw/zinc/15/39/53/434153953.db2.gz CJQIFHXIHQWOTR-CQSZACIVSA-N 1 0 304.459 3.245 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](CC)COCC(F)(F)F)c1O ZINC000295099209 434201333 /nfs/dbraw/zinc/20/13/33/434201333.db2.gz KGEKUOSKSFGRDQ-LBPRGKRZSA-N 1 0 321.339 3.238 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)CCC[NH3+])c(C)n1-c1ccccc1C ZINC000295221567 434263785 /nfs/dbraw/zinc/26/37/85/434263785.db2.gz MTCYYWQPKVEKHB-AWEZNQCLSA-N 1 0 313.445 3.260 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2O)[C@]12CCCO2 ZINC000364338592 434267204 /nfs/dbraw/zinc/26/72/04/434267204.db2.gz BDAVBMJSUJENQV-BZZMCLGOSA-N 1 0 305.418 3.160 20 10 DGCDRO CN(Cc1nccn1C(F)F)Cc1cc(Cl)c(F)cc1[O-] ZINC000295363169 434330135 /nfs/dbraw/zinc/33/01/35/434330135.db2.gz NWOFSSOYXUFNKT-UHFFFAOYSA-N 1 0 319.714 3.408 20 10 DGCDRO COC1CCN(c2ccc(C[N@H+](C)CCCSC)cc2)CC1 ZINC000295463783 434373601 /nfs/dbraw/zinc/37/36/01/434373601.db2.gz XNKBPGQIKVWVED-UHFFFAOYSA-N 1 0 322.518 3.487 20 10 DGCDRO CC[C@@H](NCc1ncn(C)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287762203 434442843 /nfs/dbraw/zinc/44/28/43/434442843.db2.gz QXMVWXILCXSADQ-LLVKDONJSA-N 1 0 315.204 3.068 20 10 DGCDRO C[C@H](CCCO)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000295859853 434440280 /nfs/dbraw/zinc/44/02/80/434440280.db2.gz BKIGBWSWOSTGKW-GHMZBOCLSA-N 1 0 316.239 3.214 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1C ZINC000368248517 434570190 /nfs/dbraw/zinc/57/01/90/434570190.db2.gz FDQCQUWCIMOPKS-INIZCTEOSA-N 1 0 319.445 3.027 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc2c(cc1O)CCCC2 ZINC000370397819 434611039 /nfs/dbraw/zinc/61/10/39/434611039.db2.gz OHHSYNIFKDYKCA-BLLLJJGKSA-N 1 0 311.429 3.202 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c1 ZINC000371426695 434700302 /nfs/dbraw/zinc/70/03/02/434700302.db2.gz YUUANIZCFRSIBS-CQSZACIVSA-N 1 0 313.397 3.399 20 10 DGCDRO Cc1noc(C2(C)CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000360991778 434757465 /nfs/dbraw/zinc/75/74/65/434757465.db2.gz XBFGSAYBVWZGQO-UHFFFAOYSA-N 1 0 315.417 3.254 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)c(O)c1C ZINC000528001793 435018461 /nfs/dbraw/zinc/01/84/61/435018461.db2.gz PWUOJJHLIJFDGB-DYVFJYSZSA-N 1 0 310.397 3.223 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCCc2ccc(C)cc21 ZINC000576028358 435053883 /nfs/dbraw/zinc/05/38/83/435053883.db2.gz QILVTKXGVFHZPO-UHFFFAOYSA-N 1 0 308.425 3.350 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1CC(C)(C)c2ccccc21 ZINC000643508047 435340154 /nfs/dbraw/zinc/34/01/54/435340154.db2.gz FTAVNLZFZLMKIK-UHFFFAOYSA-N 1 0 308.425 3.387 20 10 DGCDRO Cc1ccc2c(c1)N(C(=O)c1cccc3c1CC[NH2+]C3)CCC2 ZINC000662596503 436367375 /nfs/dbraw/zinc/36/73/75/436367375.db2.gz RCYRLHAWUXTHFV-UHFFFAOYSA-N 1 0 306.409 3.234 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1O ZINC000293515013 335111453 /nfs/dbraw/zinc/11/14/53/335111453.db2.gz ANDNJVWPGDDUGR-SFHVURJKSA-N 1 0 317.429 3.182 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c(O)c1 ZINC000185184359 333205371 /nfs/dbraw/zinc/20/53/71/333205371.db2.gz ZLBQVIREFXGLIN-GJZGRUSLSA-N 1 0 312.413 3.056 20 10 DGCDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc2ccccc2c1O ZINC000185194208 333368820 /nfs/dbraw/zinc/36/88/20/333368820.db2.gz PLGGJHQSXSDJPM-ZDUSSCGKSA-N 1 0 300.402 3.064 20 10 DGCDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293594516 334199369 /nfs/dbraw/zinc/19/93/69/334199369.db2.gz FSCFFZVKQWUDMT-JEYLPNPQSA-N 1 0 304.434 3.107 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)CCCO)CC2)cc1 ZINC000361682238 336768542 /nfs/dbraw/zinc/76/85/42/336768542.db2.gz PJKZXOICYXJHHH-UHFFFAOYSA-N 1 0 320.477 3.052 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC([NH+]3CCCC3)CC2)c1O ZINC000184678026 533952877 /nfs/dbraw/zinc/95/28/77/533952877.db2.gz DRJWMXANUXKFFM-UHFFFAOYSA-N 1 0 324.852 3.114 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000267156844 521155301 /nfs/dbraw/zinc/15/53/01/521155301.db2.gz DSUYCDUQTLLURH-KZULUSFZSA-N 1 0 319.376 3.142 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000267156843 521155658 /nfs/dbraw/zinc/15/56/58/521155658.db2.gz DSUYCDUQTLLURH-KPZWWZAWSA-N 1 0 319.376 3.142 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)c1O ZINC000179943871 521333491 /nfs/dbraw/zinc/33/34/91/521333491.db2.gz MSAOOXZCPDURAI-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000267203725 521371634 /nfs/dbraw/zinc/37/16/34/521371634.db2.gz PEKBVCDNJZYAGG-YVEFUNNKSA-N 1 0 319.376 3.142 20 10 DGCDRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188682899 521627362 /nfs/dbraw/zinc/62/73/62/521627362.db2.gz WQJKWULAUMRYBR-CQSZACIVSA-N 1 0 324.440 3.128 20 10 DGCDRO CCOC1CC(CC[NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000187978226 521644963 /nfs/dbraw/zinc/64/49/63/521644963.db2.gz TZYMGBNYRQJLIG-UHFFFAOYSA-N 1 0 313.825 3.349 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(F)c(F)c2)cc1OC ZINC000159734452 522773103 /nfs/dbraw/zinc/77/31/03/522773103.db2.gz JKGJGWULJJSYPC-UHFFFAOYSA-N 1 0 323.339 3.320 20 10 DGCDRO COc1cc(O)c(C[NH2+]CCc2ccc(F)c(F)c2)cc1OC ZINC000191496297 522777702 /nfs/dbraw/zinc/77/77/02/522777702.db2.gz IRDPRCDTDFOIDL-UHFFFAOYSA-N 1 0 323.339 3.020 20 10 DGCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000162861349 523652344 /nfs/dbraw/zinc/65/23/44/523652344.db2.gz HVINVHLMRQQWPS-CHAYTZKSSA-N 1 0 322.518 3.483 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CSC[C@@H]3C)CC2)cc1 ZINC000367705420 524402944 /nfs/dbraw/zinc/40/29/44/524402944.db2.gz HAHDVBYEUZEGEY-GUYCJALGSA-N 1 0 306.475 3.005 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCCOCC(C)C)CC2)cc1 ZINC000163294048 524404320 /nfs/dbraw/zinc/40/43/20/524404320.db2.gz YJPXMTUTEZJJPX-UHFFFAOYSA-N 1 0 320.477 3.316 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000182894557 524772027 /nfs/dbraw/zinc/77/20/27/524772027.db2.gz NAOABWBHZXUEAA-GOEBONIOSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)c1 ZINC000182447842 524772361 /nfs/dbraw/zinc/77/23/61/524772361.db2.gz HFHHKMUXKCTFLM-LBPRGKRZSA-N 1 0 314.385 3.210 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000128673270 525328245 /nfs/dbraw/zinc/32/82/45/525328245.db2.gz VEODAPRERQCGRL-HNNXBMFYSA-N 1 0 317.477 3.242 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000157617663 525408501 /nfs/dbraw/zinc/40/85/01/525408501.db2.gz OCTJQJSZAAKNMS-UGSOOPFHSA-N 1 0 302.393 3.276 20 10 DGCDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000127780476 525467765 /nfs/dbraw/zinc/46/77/65/525467765.db2.gz IUPRTHPXHMWWPO-MRXNPFEDSA-N 1 0 312.461 3.304 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000183513710 525607599 /nfs/dbraw/zinc/60/75/99/525607599.db2.gz HQESWEFCHRXNRH-KBPBESRZSA-N 1 0 320.433 3.442 20 10 DGCDRO Cc1ccc([C@H](C[NH2+]Cc2ccccc2O)N2CCCC2)o1 ZINC000237634769 525958385 /nfs/dbraw/zinc/95/83/85/525958385.db2.gz IZOSBNUDBUDJDB-INIZCTEOSA-N 1 0 300.402 3.220 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000124587427 526158357 /nfs/dbraw/zinc/15/83/57/526158357.db2.gz FAZXQVLMORVKFC-LLVKDONJSA-N 1 0 314.223 3.074 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000368485973 526432039 /nfs/dbraw/zinc/43/20/39/526432039.db2.gz AADWFVNHQHJATA-IBGZPJMESA-N 1 0 300.446 3.432 20 10 DGCDRO Cc1noc(C2CCC([NH2+]Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000267821071 526586433 /nfs/dbraw/zinc/58/64/33/526586433.db2.gz RGBWUFFQKNWMLB-UHFFFAOYSA-N 1 0 314.433 3.260 20 10 DGCDRO NC(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCCC1 ZINC000265448524 526847643 /nfs/dbraw/zinc/84/76/43/526847643.db2.gz BZCJVIPLMAPNJL-UHFFFAOYSA-N 1 0 324.424 3.195 20 10 DGCDRO Cc1nc(N2CC[NH+](Cc3cccc(C)c3O)CC2)sc1C ZINC000180482125 526968438 /nfs/dbraw/zinc/96/84/38/526968438.db2.gz GSFNEZFXDMNSTO-UHFFFAOYSA-N 1 0 317.458 3.096 20 10 DGCDRO Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237995312 527493533 /nfs/dbraw/zinc/49/35/33/527493533.db2.gz ZBDIVGBZOBHBTG-MRXNPFEDSA-N 1 0 309.413 3.120 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)c2ccccn2)c1 ZINC000294927881 535751712 /nfs/dbraw/zinc/75/17/12/535751712.db2.gz ZFOVOPQKODGSGT-UHFFFAOYSA-N 1 0 300.402 3.253 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000274820814 535808547 /nfs/dbraw/zinc/80/85/47/535808547.db2.gz BPDHMGWGJHJJIB-QZTJIDSGSA-N 1 0 324.424 3.234 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccccc1O ZINC000285859571 535932320 /nfs/dbraw/zinc/93/23/20/535932320.db2.gz ZQMHENDQORFBRN-JJRVBVJISA-N 1 0 304.434 3.126 20 10 DGCDRO COc1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cc1F ZINC000297519369 536841433 /nfs/dbraw/zinc/84/14/33/536841433.db2.gz CZAMFRDRZDOSRW-OAHLLOKOSA-N 1 0 301.361 3.360 20 10 DGCDRO COc1ccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)cc1C ZINC000274419189 536894179 /nfs/dbraw/zinc/89/41/79/536894179.db2.gz KSBKYYPNWKMAMB-UHFFFAOYSA-N 1 0 309.413 3.489 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@](C)(O)[C@H](C)CC)ccc1OC ZINC000732820987 574583595 /nfs/dbraw/zinc/58/35/95/574583595.db2.gz RLTNMCKCTWINHT-KDOFPFPSSA-N 1 0 309.450 3.118 20 10 DGCDRO C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000733325465 574615783 /nfs/dbraw/zinc/61/57/83/574615783.db2.gz NNISTBYTQZSRRW-OAHLLOKOSA-N 1 0 321.484 3.492 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000733325250 574615832 /nfs/dbraw/zinc/61/58/32/574615832.db2.gz GVEBQDJFKVJOGI-UHFFFAOYSA-N 1 0 304.777 3.082 20 10 DGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000733329359 574616274 /nfs/dbraw/zinc/61/62/74/574616274.db2.gz RGNWIYKHBKCEKH-OAHLLOKOSA-N 1 0 316.367 3.344 20 10 DGCDRO C[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCCc2ccccc21 ZINC000734843789 574678728 /nfs/dbraw/zinc/67/87/28/574678728.db2.gz QDOUMYRJDLRHAA-IBGZPJMESA-N 1 0 311.381 3.462 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCCOC(C)(C)C2)c1 ZINC000735298065 574695296 /nfs/dbraw/zinc/69/52/96/574695296.db2.gz OBZWCCJKOMYAMG-UHFFFAOYSA-N 1 0 307.434 3.396 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000736647045 574761988 /nfs/dbraw/zinc/76/19/88/574761988.db2.gz CHAVKCYVEJZIEO-GOSISDBHSA-N 1 0 319.408 3.429 20 10 DGCDRO CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCOC1 ZINC000738080540 574858759 /nfs/dbraw/zinc/85/87/59/574858759.db2.gz GQNIAIKBDIHEIC-CYBMUJFWSA-N 1 0 307.434 3.254 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CC=CC3)C2)cc1C(C)C ZINC000742163822 574983255 /nfs/dbraw/zinc/98/32/55/574983255.db2.gz WLEVWAFLNOYJRK-QGZVFWFLSA-N 1 0 300.446 3.270 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3occc3C)CC2)cc1 ZINC000742369393 574992929 /nfs/dbraw/zinc/99/29/29/574992929.db2.gz DDGIFLXASAPCJJ-UHFFFAOYSA-N 1 0 300.402 3.355 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)C12CCCC2 ZINC000742390950 574995956 /nfs/dbraw/zinc/99/59/56/574995956.db2.gz WKLBOSWZXKEGGJ-HZPDHXFCSA-N 1 0 305.418 3.228 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000743767948 575063103 /nfs/dbraw/zinc/06/31/03/575063103.db2.gz NLWOXIGOEKKXGL-CYBMUJFWSA-N 1 0 303.406 3.473 20 10 DGCDRO C[C@H]1CCN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000744450210 575343638 /nfs/dbraw/zinc/34/36/38/575343638.db2.gz WNCAQIIFVZGKFR-INIZCTEOSA-N 1 0 310.441 3.491 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000749129645 575629077 /nfs/dbraw/zinc/62/90/77/575629077.db2.gz RZAMYQNJXUJBMZ-LRDDRELGSA-N 1 0 308.853 3.398 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000749799941 575679494 /nfs/dbraw/zinc/67/94/94/575679494.db2.gz PZUYCYIFTWIBMD-KBPBESRZSA-N 1 0 319.445 3.254 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1O ZINC000750837208 575754751 /nfs/dbraw/zinc/75/47/51/575754751.db2.gz IMZLEFNKDICVNY-GOSISDBHSA-N 1 0 321.392 3.127 20 10 DGCDRO COCCOCCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725843957 575927186 /nfs/dbraw/zinc/92/71/86/575927186.db2.gz JCPRZCJEXWFRGJ-UHFFFAOYSA-N 1 0 315.413 3.202 20 10 DGCDRO Cc1nccn1CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725849943 575931589 /nfs/dbraw/zinc/93/15/89/575931589.db2.gz AKMPFMYXBNTMFR-UHFFFAOYSA-N 1 0 307.397 3.354 20 10 DGCDRO COCC[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850850 575932376 /nfs/dbraw/zinc/93/23/76/575932376.db2.gz GDBBCRGQYADUGV-AWEZNQCLSA-N 1 0 321.421 3.100 20 10 DGCDRO CC(=O)Nc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000726067036 576003865 /nfs/dbraw/zinc/00/38/65/576003865.db2.gz IPZZFRXFKZPMKF-UHFFFAOYSA-N 1 0 311.429 3.343 20 10 DGCDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(N(CC)CC)c(F)c1 ZINC000740004895 576076650 /nfs/dbraw/zinc/07/66/50/576076650.db2.gz YNVUPHSDHUINFS-OAHLLOKOSA-N 1 0 309.473 3.492 20 10 DGCDRO CC[C@@H](COC)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000738438959 576129522 /nfs/dbraw/zinc/12/95/22/576129522.db2.gz HANMYUXBFLVNEY-HNNXBMFYSA-N 1 0 321.421 3.100 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cnc3ccccc3n2)cc1F ZINC000727644318 576135784 /nfs/dbraw/zinc/13/57/84/576135784.db2.gz IAVFCMKSDGPMDU-UHFFFAOYSA-N 1 0 310.376 3.125 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3c[nH]nc3C)CC2)cc1 ZINC000154146686 620643441 /nfs/dbraw/zinc/64/34/41/620643441.db2.gz LKXOGVGNDSYQDP-ZDUSSCGKSA-N 1 0 314.433 3.046 20 10 DGCDRO CC[NH+](CC)[C@@H](CNCc1ccc2c(c1)CCO2)CC(C)C ZINC000917395020 620666919 /nfs/dbraw/zinc/66/69/19/620666919.db2.gz ZEQYVWUULHKGGQ-GOSISDBHSA-N 1 0 304.478 3.468 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1C ZINC000918197927 620700700 /nfs/dbraw/zinc/70/07/00/620700700.db2.gz PKYKDBYITUBGEP-MRXNPFEDSA-N 1 0 305.805 3.480 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000918197492 620700627 /nfs/dbraw/zinc/70/06/27/620700627.db2.gz IBCGEMGQXXTYMB-MRXNPFEDSA-N 1 0 303.789 3.098 20 10 DGCDRO CCc1cc(C[N@H+](C)C[C@@H]2COCCO2)c(O)c(C(C)(C)C)c1 ZINC000853558974 620709383 /nfs/dbraw/zinc/70/93/83/620709383.db2.gz LKYYVPQGSNHBBD-MRXNPFEDSA-N 1 0 321.461 3.099 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000853553345 620709729 /nfs/dbraw/zinc/70/97/29/620709729.db2.gz DNUDELYALYGMKL-KBXCAEBGSA-N 1 0 317.429 3.220 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc2ccccc2c1O ZINC000806179461 617659488 /nfs/dbraw/zinc/65/94/88/617659488.db2.gz ROAMVXLVCJPJGW-YOEHRIQHSA-N 1 0 322.408 3.367 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccc2ccccc2c1O ZINC000806179459 617659820 /nfs/dbraw/zinc/65/98/20/617659820.db2.gz ROAMVXLVCJPJGW-RHSMWYFYSA-N 1 0 322.408 3.367 20 10 DGCDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000806132964 617669274 /nfs/dbraw/zinc/66/92/74/617669274.db2.gz DNEYRTOWOXCZOP-PKOBYXMFSA-N 1 0 302.462 3.174 20 10 DGCDRO CCCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891254604 617761099 /nfs/dbraw/zinc/76/10/99/617761099.db2.gz ZMVFIFDIEGIEJL-KRWDZBQOSA-N 1 0 317.477 3.052 20 10 DGCDRO CN(C)c1ccc([C@@H](CNC(=O)CCC2(C)CC2)[NH+](C)C)cc1 ZINC000891257847 617761151 /nfs/dbraw/zinc/76/11/51/617761151.db2.gz KPWAGDJHXVSPIY-QGZVFWFLSA-N 1 0 317.477 3.052 20 10 DGCDRO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000840835876 617781775 /nfs/dbraw/zinc/78/17/75/617781775.db2.gz RLZHMQMKMYXJRG-QWRGUYRKSA-N 1 0 316.239 3.478 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccccc2)c(O)c1OC ZINC000892437835 618066365 /nfs/dbraw/zinc/06/63/65/618066365.db2.gz SPDFDGOUJJKWDJ-CYBMUJFWSA-N 1 0 301.386 3.303 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)c(O)c1 ZINC000840882040 618109042 /nfs/dbraw/zinc/10/90/42/618109042.db2.gz SEHREWHBQPPTDP-UKRRQHHQSA-N 1 0 303.377 3.266 20 10 DGCDRO CC1(O)CCC([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000892611897 618118461 /nfs/dbraw/zinc/11/84/61/618118461.db2.gz CGSKURTUKPYTHJ-UHFFFAOYSA-N 1 0 320.502 3.023 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccccc1O ZINC000854225180 620785610 /nfs/dbraw/zinc/78/56/10/620785610.db2.gz YAGFIJNOUIIPDW-FSPWUOQZSA-N 1 0 314.404 3.328 20 10 DGCDRO C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)c(Cl)c1[O-] ZINC000854225961 620785754 /nfs/dbraw/zinc/78/57/54/620785754.db2.gz CBXKCCLZNGHAJM-JUXJKVCFSA-N 1 0 301.217 3.102 20 10 DGCDRO COCC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccc(C)o1 ZINC000894420695 618321902 /nfs/dbraw/zinc/32/19/02/618321902.db2.gz QJRGZNDIMOIFGO-OAHLLOKOSA-N 1 0 319.401 3.478 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894443761 618334527 /nfs/dbraw/zinc/33/45/27/618334527.db2.gz DHZXQCRDQDWIQN-OAHLLOKOSA-N 1 0 319.401 3.040 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(O)c1OC ZINC000894449787 618334942 /nfs/dbraw/zinc/33/49/42/618334942.db2.gz QBOHGWJWAXBULV-HNNXBMFYSA-N 1 0 314.385 3.142 20 10 DGCDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c(O)c1OC ZINC000894544442 618378557 /nfs/dbraw/zinc/37/85/57/618378557.db2.gz NFXVVQHOPQTIOH-QGZVFWFLSA-N 1 0 303.402 3.174 20 10 DGCDRO COc1cc(CC[NH2+]Cc2c(O)cc(C)cc2Cl)ccc1O ZINC000840896280 618400771 /nfs/dbraw/zinc/40/07/71/618400771.db2.gz APLXAASXFSCEBP-UHFFFAOYSA-N 1 0 321.804 3.401 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCc2ccc(C)o2)c(O)c1OC ZINC000893076684 618415225 /nfs/dbraw/zinc/41/52/25/618415225.db2.gz DHSJBTPOTJDZSJ-GFCCVEGCSA-N 1 0 319.401 3.422 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)c(O)c1OC ZINC000894664396 618415860 /nfs/dbraw/zinc/41/58/60/618415860.db2.gz UTMNIPFUJSJSOM-LBPRGKRZSA-N 1 0 315.360 3.325 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c1O ZINC000894683619 618422687 /nfs/dbraw/zinc/42/26/87/618422687.db2.gz BYAMKTWKZMBQEW-ZIAGYGMSSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1ccc(C[NH2+]CC2(C3CCC3)CCC2)c(O)c1OC ZINC000894803145 618461186 /nfs/dbraw/zinc/46/11/86/618461186.db2.gz ZFGLYFLOLRBRLY-UHFFFAOYSA-N 1 0 305.418 3.469 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)c2cccnc2)c1O ZINC000895015800 618512964 /nfs/dbraw/zinc/51/29/64/618512964.db2.gz YYPSZDSWMCIDHR-UHFFFAOYSA-N 1 0 300.402 3.172 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)c(O)c1OC ZINC000893354975 618528189 /nfs/dbraw/zinc/52/81/89/618528189.db2.gz AEYQQOQOQKWQIL-GJZGRUSLSA-N 1 0 305.418 3.468 20 10 DGCDRO COCC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000112332049 620816602 /nfs/dbraw/zinc/81/66/02/620816602.db2.gz LMVUCSBIDCZFLM-UHFFFAOYSA-N 1 0 307.434 3.254 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2c(=O)cc[nH]c2c1 ZINC000895204970 618574568 /nfs/dbraw/zinc/57/45/68/618574568.db2.gz MUNAKXGKLBSTBO-UHFFFAOYSA-N 1 0 321.424 3.192 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1O ZINC000895344909 618598938 /nfs/dbraw/zinc/59/89/38/618598938.db2.gz SLCDMMDXUYHRDH-CGTJXYLNSA-N 1 0 313.372 3.276 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1O ZINC000895364538 618603285 /nfs/dbraw/zinc/60/32/85/618603285.db2.gz PVPCXUBGCPYXJK-UHFFFAOYSA-N 1 0 315.417 3.017 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccc(Cl)nc1 ZINC000840934955 618609925 /nfs/dbraw/zinc/60/99/25/618609925.db2.gz ABCDGGSIWIQFEQ-UHFFFAOYSA-N 1 0 303.837 3.442 20 10 DGCDRO Cc1cnn([C@H]2CC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)c1 ZINC000840947807 618620595 /nfs/dbraw/zinc/62/05/95/618620595.db2.gz MIUVCEPQCCNYGH-ZDUSSCGKSA-N 1 0 305.809 3.306 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000840948086 618620612 /nfs/dbraw/zinc/62/06/12/618620612.db2.gz QDWOTBVSXVHXSL-UHFFFAOYSA-N 1 0 308.429 3.238 20 10 DGCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000893683377 618637980 /nfs/dbraw/zinc/63/79/80/618637980.db2.gz HHEXIWAMQYNGON-AWEZNQCLSA-N 1 0 318.417 3.222 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C(F)(F)F)CCCN2)c(O)c1 ZINC000925852756 618646521 /nfs/dbraw/zinc/64/65/21/618646521.db2.gz GHNPVBVFGCRJIM-RISCZKNCSA-N 1 0 302.340 3.036 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C(F)(F)F)CCCN2)c1 ZINC000925855851 618647226 /nfs/dbraw/zinc/64/72/26/618647226.db2.gz PROGJTOGTTXADC-RISCZKNCSA-N 1 0 302.340 3.036 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1O ZINC000893909477 618674314 /nfs/dbraw/zinc/67/43/14/618674314.db2.gz OONXAKUATYSMBV-MRXNPFEDSA-N 1 0 300.402 3.385 20 10 DGCDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894019732 618693647 /nfs/dbraw/zinc/69/36/47/618693647.db2.gz BNYDOHAGGHCWFK-NSHDSACASA-N 1 0 307.340 3.439 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cn2c(n1)CCCC2 ZINC000924869557 618712510 /nfs/dbraw/zinc/71/25/10/618712510.db2.gz HNPZQIPHYZMVRZ-OAHLLOKOSA-N 1 0 324.472 3.453 20 10 DGCDRO COCc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894162915 618722144 /nfs/dbraw/zinc/72/21/44/618722144.db2.gz AWWXXGHKJCYREQ-UHFFFAOYSA-N 1 0 301.386 3.145 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1O ZINC000894165127 618722698 /nfs/dbraw/zinc/72/26/98/618722698.db2.gz IISQJVCVIHTTTO-LBPRGKRZSA-N 1 0 315.369 3.289 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CCc2cccn2C)c1O ZINC000894266169 618745888 /nfs/dbraw/zinc/74/58/88/618745888.db2.gz QWCSQMUJTFMICU-AWEZNQCLSA-N 1 0 302.418 3.159 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccnnc2)cc1F ZINC000925016434 618764849 /nfs/dbraw/zinc/76/48/49/618764849.db2.gz YUCHAROPNCLANT-CYBMUJFWSA-N 1 0 302.397 3.313 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCCc2c(C)noc2C)c1O ZINC000894338727 618767086 /nfs/dbraw/zinc/76/70/86/618767086.db2.gz JQLNOXCQTANMJO-UHFFFAOYSA-N 1 0 304.390 3.036 20 10 DGCDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(N)cc1 ZINC000841299738 618794058 /nfs/dbraw/zinc/79/40/58/618794058.db2.gz NIXAHYUAYFXRAU-UHFFFAOYSA-N 1 0 318.465 3.389 20 10 DGCDRO COc1cc(Br)cc(C[NH+]2CCC(F)CC2)c1O ZINC000895549622 618796017 /nfs/dbraw/zinc/79/60/17/618796017.db2.gz MSEKTGGVJYRPAE-UHFFFAOYSA-N 1 0 318.186 3.097 20 10 DGCDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(N)cc1 ZINC000841302209 618806277 /nfs/dbraw/zinc/80/62/77/618806277.db2.gz PEBQYSVDERFGQK-UHFFFAOYSA-N 1 0 306.454 3.101 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC(C)([NH+]3CCC3)CC2)c1O ZINC000895670387 618816037 /nfs/dbraw/zinc/81/60/37/618816037.db2.gz FXEOYFDTKVCOHJ-UHFFFAOYSA-N 1 0 324.852 3.114 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1O ZINC000895843813 618838504 /nfs/dbraw/zinc/83/85/04/618838504.db2.gz CRULTQHQPLETIY-BXUZGUMPSA-N 1 0 311.809 3.055 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC000896536995 618926294 /nfs/dbraw/zinc/92/62/94/618926294.db2.gz SRCRNCFYWTXAFK-CYBMUJFWSA-N 1 0 318.442 3.312 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(OC(C)C)CCOC2)cc1Cl ZINC000896668183 618942208 /nfs/dbraw/zinc/94/22/08/618942208.db2.gz DFMYFTRAEQBZNN-INIZCTEOSA-N 1 0 313.825 3.028 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ncnn1C ZINC000788971957 625309551 /nfs/dbraw/zinc/30/95/51/625309551.db2.gz RZUJZIIQQLEXCQ-ZDUSSCGKSA-N 1 0 308.385 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(O)(C3CCC3)CC2)cc1 ZINC000897035219 619004609 /nfs/dbraw/zinc/00/46/09/619004609.db2.gz DGJCSXIRZRLKCE-PLNGDYQASA-N 1 0 314.473 3.393 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1Cl ZINC000897051743 619009448 /nfs/dbraw/zinc/00/94/48/619009448.db2.gz ZPPFAXVBCPEFHA-UWEBFBLFSA-N 1 0 311.809 3.126 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)cc1OC ZINC000897229612 619032819 /nfs/dbraw/zinc/03/28/19/619032819.db2.gz XDBZBYPTOPZIIX-ZDUSSCGKSA-N 1 0 323.433 3.093 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)c1 ZINC000897236916 619034543 /nfs/dbraw/zinc/03/45/43/619034543.db2.gz YURMPVZGUIUYCY-LJQANCHMSA-N 1 0 313.397 3.196 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000897339060 619064020 /nfs/dbraw/zinc/06/40/20/619064020.db2.gz CWDXCJGSNFQLOH-UXHICEINSA-N 1 0 310.441 3.199 20 10 DGCDRO CC[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000897423764 619110562 /nfs/dbraw/zinc/11/05/62/619110562.db2.gz PMLXVKUBCWGXEK-AWEZNQCLSA-N 1 0 320.433 3.490 20 10 DGCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(C)ccc1O ZINC000897523875 619145243 /nfs/dbraw/zinc/14/52/43/619145243.db2.gz YVDGRDVQFIGMIP-CQSZACIVSA-N 1 0 305.340 3.274 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1O ZINC000897679198 619172837 /nfs/dbraw/zinc/17/28/37/619172837.db2.gz IOGSWLONCUSLQQ-KBXCAEBGSA-N 1 0 316.470 3.197 20 10 DGCDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH2+]Cc1ccccc1O)C2 ZINC000898074651 619213743 /nfs/dbraw/zinc/21/37/43/619213743.db2.gz UXMGKTVYMITXLO-ILXRZTDVSA-N 1 0 318.417 3.022 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000898100106 619216939 /nfs/dbraw/zinc/21/69/39/619216939.db2.gz IDLJDQZBEZFVTK-HDJSIYSDSA-N 1 0 320.433 3.094 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000898165638 619219226 /nfs/dbraw/zinc/21/92/26/619219226.db2.gz FQJGAXIFOGWQQV-GXTWGEPZSA-N 1 0 321.417 3.001 20 10 DGCDRO CSCC(C)(C)[NH2+]Cc1ccc(Br)cc1O ZINC000898304943 619235438 /nfs/dbraw/zinc/23/54/38/619235438.db2.gz MZLUENYXTITACM-UHFFFAOYSA-N 1 0 304.253 3.386 20 10 DGCDRO COc1cc(C[NH2+][C@H]2COC[C@H]2C2CC2)c(O)c(C(C)(C)C)c1 ZINC000898377225 619240444 /nfs/dbraw/zinc/24/04/44/619240444.db2.gz SQZBRKLVXSNSRZ-RDJZCZTQSA-N 1 0 319.445 3.213 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccccc1O ZINC000926923793 619249750 /nfs/dbraw/zinc/24/97/50/619249750.db2.gz YUQHUTXIHLUGKP-JSGCOSHPSA-N 1 0 316.367 3.460 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(F)ccc1O ZINC000926962121 619252936 /nfs/dbraw/zinc/25/29/36/619252936.db2.gz KBTWZBKQNRCCMO-TVQRCGJNSA-N 1 0 308.319 3.065 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000898384438 619269770 /nfs/dbraw/zinc/26/97/70/619269770.db2.gz BFFOVYPCKQHOGD-BGEOSOQGSA-N 1 0 308.425 3.014 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCSCC2)N(C)C)cc1 ZINC000898448170 619275749 /nfs/dbraw/zinc/27/57/49/619275749.db2.gz QFIOAWGJDOUHMF-WMZOPIPTSA-N 1 0 321.534 3.231 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccs2)N(C)C)cc1 ZINC000898450381 619276135 /nfs/dbraw/zinc/27/61/35/619276135.db2.gz BGPYKPGJOQPVIK-QGZVFWFLSA-N 1 0 303.475 3.207 20 10 DGCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1cc(Cl)ccc1O ZINC000902435145 619635739 /nfs/dbraw/zinc/63/57/39/619635739.db2.gz AEGGTAZZGJDFKL-UDTVLSCZSA-N 1 0 302.805 3.321 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c(O)cc1C ZINC000902650360 619661270 /nfs/dbraw/zinc/66/12/70/619661270.db2.gz ZXQJBEUZBPORDI-ZDUSSCGKSA-N 1 0 318.442 3.230 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2CC2CCOCC2)cc1C ZINC000902669533 619662795 /nfs/dbraw/zinc/66/27/95/619662795.db2.gz HCYLBQDGDYFZLS-SFHVURJKSA-N 1 0 319.445 3.027 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc1 ZINC000902754426 619670620 /nfs/dbraw/zinc/67/06/20/619670620.db2.gz CDNPKUSQBMBILG-WKWVNEEDSA-N 1 0 314.473 3.436 20 10 DGCDRO c1csc(SCCC[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)n1 ZINC000902809429 619680715 /nfs/dbraw/zinc/68/07/15/619680715.db2.gz SGXUUAYXHSJABA-QSLWVIQJSA-N 1 0 310.488 3.028 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000902869466 619684491 /nfs/dbraw/zinc/68/44/91/619684491.db2.gz XESSUAHHYGKSFO-WBVHZDCISA-N 1 0 319.445 3.476 20 10 DGCDRO CC(C)[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1nncn1C ZINC000903064068 619708964 /nfs/dbraw/zinc/70/89/64/619708964.db2.gz KIXROOCIXSEZSF-QMTHXVAHSA-N 1 0 308.813 3.222 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000903178766 619731082 /nfs/dbraw/zinc/73/10/82/619731082.db2.gz JIOZWHSLVQHVRW-DRCTWCGVSA-N 1 0 319.323 3.161 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(N(C)C)ccn2)c2c1c(F)ccc2O ZINC000903198071 619734864 /nfs/dbraw/zinc/73/48/64/619734864.db2.gz FDUZDJNGASSORG-NHYWBVRUSA-N 1 0 315.392 3.330 20 10 DGCDRO CC[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccccc1O ZINC000903222680 619741880 /nfs/dbraw/zinc/74/18/80/619741880.db2.gz IGCBYQYXUGKPMF-AWEZNQCLSA-N 1 0 305.447 3.151 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCONC(=O)OC(C)(C)C)c1 ZINC000903240258 619742487 /nfs/dbraw/zinc/74/24/87/619742487.db2.gz WFZQCFVGOGGVKZ-ZDUSSCGKSA-N 1 0 324.421 3.198 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1ccccc1O ZINC000903271144 619749867 /nfs/dbraw/zinc/74/98/67/619749867.db2.gz JLWAOUQDGUZEES-HRCADAONSA-N 1 0 306.475 3.013 20 10 DGCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000903299076 619753367 /nfs/dbraw/zinc/75/33/67/619753367.db2.gz DDUCQBOVZWEGIX-ATZDWAIDSA-N 1 0 318.461 3.131 20 10 DGCDRO CC[C@H]([NH2+]C[C@@]1(OC)CCSC1)c1ccc(N(C)C)cc1 ZINC000903308894 619757047 /nfs/dbraw/zinc/75/70/47/619757047.db2.gz AITMYXPXDVAONZ-IRXDYDNUSA-N 1 0 308.491 3.315 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(F)c2)c(O)c1 ZINC000903310767 619757282 /nfs/dbraw/zinc/75/72/82/619757282.db2.gz QQEPNFJKKGSGND-FZKQIMNGSA-N 1 0 303.377 3.398 20 10 DGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1cc(F)ccc1O ZINC000903312276 619757920 /nfs/dbraw/zinc/75/79/20/619757920.db2.gz YKLMHLYYWIXEKK-APPDUMDISA-N 1 0 307.340 3.229 20 10 DGCDRO CC[C@H]([NH2+]Cc1cn(C)cn1)c1cc(Br)ccc1O ZINC000903351346 619763547 /nfs/dbraw/zinc/76/35/47/619763547.db2.gz JWAMWQCBMJPNMI-ZDUSSCGKSA-N 1 0 324.222 3.129 20 10 DGCDRO C[NH+](C)CC[C@H](N[C@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000903381373 619768620 /nfs/dbraw/zinc/76/86/20/619768620.db2.gz WBCQKNTVVGNJGZ-IRXDYDNUSA-N 1 0 311.429 3.057 20 10 DGCDRO C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(F)cc1O ZINC000903380777 619768821 /nfs/dbraw/zinc/76/88/21/619768821.db2.gz PHVRYSKDKFLXLE-GUYCJALGSA-N 1 0 317.408 3.270 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(Cl)cc1O ZINC000903390166 619770884 /nfs/dbraw/zinc/77/08/84/619770884.db2.gz PYVJDBRCXQDBPO-IAQYHMDHSA-N 1 0 311.809 3.034 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(Cl)ccc1O ZINC000903420374 619775991 /nfs/dbraw/zinc/77/59/91/619775991.db2.gz NXMPKVWWAXUXGM-CQSZACIVSA-N 1 0 321.808 3.013 20 10 DGCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000905139822 619975218 /nfs/dbraw/zinc/97/52/18/619975218.db2.gz YFSARSMPQSFMTI-FQEVSTJZSA-N 1 0 308.425 3.194 20 10 DGCDRO Cc1ccc(NC(=S)NCc2cc(N(C)C)cc[nH+]2)cc1F ZINC000905618426 620013596 /nfs/dbraw/zinc/01/35/96/620013596.db2.gz NXGHKDUBXOWBNA-UHFFFAOYSA-N 1 0 318.421 3.082 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(Br)cc1O ZINC000757658622 620458972 /nfs/dbraw/zinc/45/89/72/620458972.db2.gz SHFRLYDYXSXJSG-GHMZBOCLSA-N 1 0 314.223 3.232 20 10 DGCDRO CC[C@@H]1COCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000151898440 620480070 /nfs/dbraw/zinc/48/00/70/620480070.db2.gz MPGLBOHASHYNDF-CQSZACIVSA-N 1 0 301.386 3.165 20 10 DGCDRO C[C@H](NCCC[NH+](C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151911404 620480486 /nfs/dbraw/zinc/48/04/86/620480486.db2.gz LAHKDTXWTDTJPZ-HNNXBMFYSA-N 1 0 307.457 3.418 20 10 DGCDRO Cc1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)ccc1N1CCCCC1 ZINC000852580911 620631091 /nfs/dbraw/zinc/63/10/91/620631091.db2.gz GDSHOUVDTGDHHH-RBUKOAKNSA-N 1 0 314.473 3.378 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1F ZINC000921505112 620876345 /nfs/dbraw/zinc/87/63/45/620876345.db2.gz YUXJGDMEXRULNF-UHFFFAOYSA-N 1 0 301.361 3.449 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000840764630 620884190 /nfs/dbraw/zinc/88/41/90/620884190.db2.gz WVCQRBCFIJDZJX-JLLWLGSASA-N 1 0 314.223 3.373 20 10 DGCDRO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921513976 620894255 /nfs/dbraw/zinc/89/42/55/620894255.db2.gz NZJPNXJKFQVWRL-UHFFFAOYSA-N 1 0 324.424 3.003 20 10 DGCDRO CC(C)C[NH+]1CCC(NCc2ccc3c(c2)CCCO3)CC1 ZINC000921519875 620896506 /nfs/dbraw/zinc/89/65/06/620896506.db2.gz QDBJJJWWTQTVOC-UHFFFAOYSA-N 1 0 302.462 3.222 20 10 DGCDRO OCC[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921767174 620946937 /nfs/dbraw/zinc/94/69/37/620946937.db2.gz OICIHFQHLSDPSW-LJQANCHMSA-N 1 0 311.425 3.267 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)c1cccs1 ZINC000921768893 620947179 /nfs/dbraw/zinc/94/71/79/620947179.db2.gz MIPUIYVWGJRLSF-QGZVFWFLSA-N 1 0 303.427 3.070 20 10 DGCDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921785857 620949565 /nfs/dbraw/zinc/94/95/65/620949565.db2.gz NQEODZBTOBBZRO-ZDUSSCGKSA-N 1 0 313.445 3.083 20 10 DGCDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921785854 620949610 /nfs/dbraw/zinc/94/96/10/620949610.db2.gz NQEODZBTOBBZRO-CYBMUJFWSA-N 1 0 313.445 3.083 20 10 DGCDRO c1cc2c(s1)CCO[C@H]2C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921792641 620950402 /nfs/dbraw/zinc/95/04/02/620950402.db2.gz OVGNKBDMAGGFNW-KRWDZBQOSA-N 1 0 315.438 3.477 20 10 DGCDRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921817215 620953873 /nfs/dbraw/zinc/95/38/73/620953873.db2.gz JSPJQVNPVHWZKS-OAHLLOKOSA-N 1 0 303.427 3.205 20 10 DGCDRO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756385553 620972003 /nfs/dbraw/zinc/97/20/03/620972003.db2.gz SGEFEFAGPKOOCW-CYBMUJFWSA-N 1 0 301.434 3.253 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cncc(Cl)c2)cc1 ZINC000856754878 621016753 /nfs/dbraw/zinc/01/67/53/621016753.db2.gz OXRAHQHELKRQEV-UHFFFAOYSA-N 1 0 319.836 3.312 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1C ZINC000922457299 621039821 /nfs/dbraw/zinc/03/98/21/621039821.db2.gz IQCYUHFWCNJUJQ-JSGCOSHPSA-N 1 0 303.324 3.209 20 10 DGCDRO OC[C@@H](CCc1ccccc1)[NH2+]Cc1c(O)cccc1Cl ZINC000922547435 621052336 /nfs/dbraw/zinc/05/23/36/621052336.db2.gz CLQDOBWTEVKICA-CQSZACIVSA-N 1 0 305.805 3.129 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCSC3(CCC3)C1)OCO2 ZINC000922844228 621107409 /nfs/dbraw/zinc/10/74/09/621107409.db2.gz BYLXEUYAXIDIMW-LBPRGKRZSA-N 1 0 307.415 3.029 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1 ZINC000922875959 621111613 /nfs/dbraw/zinc/11/16/13/621111613.db2.gz JJTPBNVQNWNXMP-XGWQRUHWSA-N 1 0 318.461 3.305 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1OC ZINC000115629319 621119108 /nfs/dbraw/zinc/11/91/08/621119108.db2.gz IZRPZJUUWLITDT-UHFFFAOYSA-N 1 0 314.429 3.368 20 10 DGCDRO CC(C)[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000922894300 621121643 /nfs/dbraw/zinc/12/16/43/621121643.db2.gz OXGZPTIJRADJQX-LIXSYLKWSA-N 1 0 312.461 3.486 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(C)cc1O ZINC000857876936 621126959 /nfs/dbraw/zinc/12/69/59/621126959.db2.gz ISINWAFVICWKEJ-IEBWSBKVSA-N 1 0 324.424 3.455 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1F ZINC000922899001 621129175 /nfs/dbraw/zinc/12/91/75/621129175.db2.gz VLVJUQOEJDKLPN-MAUKXSAKSA-N 1 0 306.425 3.187 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)CCCO2 ZINC000922901292 621129261 /nfs/dbraw/zinc/12/92/61/621129261.db2.gz OREUFKNAEMPLKF-MJGOQNOKSA-N 1 0 301.430 3.306 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cc(C3CC3)nn2C)cc1 ZINC000922946597 621135515 /nfs/dbraw/zinc/13/55/15/621135515.db2.gz BENFMAAQEMVFSQ-SNAWJCMRSA-N 1 0 310.445 3.167 20 10 DGCDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000858010712 621144073 /nfs/dbraw/zinc/14/40/73/621144073.db2.gz FKEGSIABYVQBOM-OAHLLOKOSA-N 1 0 318.804 3.402 20 10 DGCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC000858010833 621144213 /nfs/dbraw/zinc/14/42/13/621144213.db2.gz GYRAUDIOFYSEJL-ZDUSSCGKSA-N 1 0 318.804 3.402 20 10 DGCDRO CN(C)c1c(C[NH2+]Cc2ccc3c(c2)CCO3)ccc(F)c1F ZINC000858121012 621155262 /nfs/dbraw/zinc/15/52/62/621155262.db2.gz RNIJOSMANVIVDG-UHFFFAOYSA-N 1 0 318.367 3.256 20 10 DGCDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858146643 621157858 /nfs/dbraw/zinc/15/78/58/621157858.db2.gz JUBVOSSUOKNHGK-LLVKDONJSA-N 1 0 300.393 3.324 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2COc3ccccc32)cc1F ZINC000858165239 621160590 /nfs/dbraw/zinc/16/05/90/621160590.db2.gz PQCCBBACIYRTNV-CYBMUJFWSA-N 1 0 318.367 3.297 20 10 DGCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000858177295 621161653 /nfs/dbraw/zinc/16/16/53/621161653.db2.gz OBSQOWVHXHHDSW-GTNSWQLSSA-N 1 0 312.404 3.324 20 10 DGCDRO CCn1cc([C@H](C)[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000858173636 621161702 /nfs/dbraw/zinc/16/17/02/621161702.db2.gz DPVBEBFPOANTPR-JTQLQIEISA-N 1 0 324.222 3.222 20 10 DGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858180047 621162117 /nfs/dbraw/zinc/16/21/17/621162117.db2.gz KALYPOLLOCFXIZ-WDEREUQCSA-N 1 0 314.223 3.202 20 10 DGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000858184824 621162597 /nfs/dbraw/zinc/16/25/97/621162597.db2.gz PPKTVISFDORHSL-TZMCWYRMSA-N 1 0 314.223 3.202 20 10 DGCDRO Cc1ccncc1CC[NH2+]Cc1c(O)cccc1Br ZINC000858187108 621162879 /nfs/dbraw/zinc/16/28/79/621162879.db2.gz CSLOSWLQOJILEP-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)cc1F ZINC000858191955 621163902 /nfs/dbraw/zinc/16/39/02/621163902.db2.gz CQWRQIBEBOOHLV-CYBMUJFWSA-N 1 0 304.331 3.412 20 10 DGCDRO COc1ccc(C[NH2+]C2(c3cc(C)no3)CCOCC2)cc1C ZINC000858325595 621176288 /nfs/dbraw/zinc/17/62/88/621176288.db2.gz FHTYICHDJPWNGP-UHFFFAOYSA-N 1 0 316.401 3.096 20 10 DGCDRO Fc1cc(C[NH2+]C[C@H]2CCCC23CC3)ccc1N1CCOCC1 ZINC000858333195 621176889 /nfs/dbraw/zinc/17/68/89/621176889.db2.gz YRQDGJPRJPETEL-MRXNPFEDSA-N 1 0 318.436 3.332 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3cccc(C)c3C2)c1 ZINC000858459308 621193998 /nfs/dbraw/zinc/19/39/98/621193998.db2.gz CFCDTMWCCVMGPA-KGLIPLIRSA-N 1 0 313.397 3.364 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Br)ccc1O ZINC000756771360 621196137 /nfs/dbraw/zinc/19/61/37/621196137.db2.gz WGWLEJDWPLQMPP-YUSALJHKSA-N 1 0 314.223 3.109 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000858505797 621199756 /nfs/dbraw/zinc/19/97/56/621199756.db2.gz PMSJHAISZFEMIX-ZWNOBZJWSA-N 1 0 309.793 3.348 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(N(C)C)cc1 ZINC000858528894 621201984 /nfs/dbraw/zinc/20/19/84/621201984.db2.gz HBUTUKKSTSTCOC-IFXJQAMLSA-N 1 0 323.440 3.230 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(C(F)(F)F)cc1O ZINC000858543341 621203092 /nfs/dbraw/zinc/20/30/92/621203092.db2.gz ICLWJCONBGQJSC-NDMJEZRESA-N 1 0 303.324 3.223 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccccc1O ZINC000858540010 621203298 /nfs/dbraw/zinc/20/32/98/621203298.db2.gz SKEYSRQASARJSI-CQSZACIVSA-N 1 0 312.369 3.078 20 10 DGCDRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000858547091 621203566 /nfs/dbraw/zinc/20/35/66/621203566.db2.gz ISCXTLLYBCPSOG-MOFZMDFASA-N 1 0 301.430 3.489 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccccc1O ZINC000858594411 621208054 /nfs/dbraw/zinc/20/80/54/621208054.db2.gz DFLPMRIWDHRCAL-DOTOQJQBSA-N 1 0 315.413 3.011 20 10 DGCDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000858592480 621208246 /nfs/dbraw/zinc/20/82/46/621208246.db2.gz DBIZOTGPKFOGEA-GARJFASQSA-N 1 0 303.324 3.487 20 10 DGCDRO COC(=O)CCCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000859081124 621246817 /nfs/dbraw/zinc/24/68/17/621246817.db2.gz AQFRSOCYXYSEBI-UHFFFAOYSA-N 1 0 306.450 3.306 20 10 DGCDRO CCO[C@H](C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000859086882 621247100 /nfs/dbraw/zinc/24/71/00/621247100.db2.gz PVOHKFIXIDCHEV-LJQANCHMSA-N 1 0 318.461 3.022 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC(F)(F)CC2)c1O ZINC000859535893 621288158 /nfs/dbraw/zinc/28/81/58/621288158.db2.gz PUOGOUSUZVZEDB-UHFFFAOYSA-N 1 0 301.308 3.355 20 10 DGCDRO COc1cc(O)c(C[NH+]2CC(Cc3ccccc3)C2)cc1OC ZINC000839128083 621338194 /nfs/dbraw/zinc/33/81/94/621338194.db2.gz LOBODDCMFYCXNH-UHFFFAOYSA-N 1 0 313.397 3.084 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c(O)c1 ZINC000839191826 621347045 /nfs/dbraw/zinc/34/70/45/621347045.db2.gz KCINWTXROVEREV-JKSUJKDBSA-N 1 0 307.434 3.473 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1N1CCCCC1 ZINC000860131668 621369444 /nfs/dbraw/zinc/36/94/44/621369444.db2.gz OGJXMQRFPSFUAK-DFQSSKMNSA-N 1 0 314.473 3.331 20 10 DGCDRO C[C@@H]1COCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000753995450 621478833 /nfs/dbraw/zinc/47/88/33/621478833.db2.gz VOADUPXFMCRELW-ZDUSSCGKSA-N 1 0 315.413 3.486 20 10 DGCDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000755224229 621559459 /nfs/dbraw/zinc/55/94/59/621559459.db2.gz ZFKBETWNSRHWRM-SECBINFHSA-N 1 0 305.296 3.332 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1F ZINC000862228184 621563783 /nfs/dbraw/zinc/56/37/83/621563783.db2.gz MVBWNQBSJPEOIG-LBPRGKRZSA-N 1 0 320.387 3.134 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@@]3(C)CCCS3)CC2)cc1 ZINC000862231793 621564186 /nfs/dbraw/zinc/56/41/86/621564186.db2.gz MPZDCGLVVBHEEZ-GOSISDBHSA-N 1 0 320.502 3.493 20 10 DGCDRO CN(C)c1cc(F)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1F ZINC000862239185 621565650 /nfs/dbraw/zinc/56/56/50/621565650.db2.gz YFVDGMXKVSMQRM-OAHLLOKOSA-N 1 0 323.431 3.091 20 10 DGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862251065 621567775 /nfs/dbraw/zinc/56/77/75/621567775.db2.gz ZSQWAUMPYJDLAQ-JTQLQIEISA-N 1 0 316.264 3.482 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1F ZINC000862252412 621567873 /nfs/dbraw/zinc/56/78/73/621567873.db2.gz TWJVLSKDOZJSIH-BLLLJJGKSA-N 1 0 310.388 3.032 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1F ZINC000862252414 621568334 /nfs/dbraw/zinc/56/83/34/621568334.db2.gz TWJVLSKDOZJSIH-LRDDRELGSA-N 1 0 310.388 3.032 20 10 DGCDRO CN(Cc1cccc2n[nH]cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000862325377 621574183 /nfs/dbraw/zinc/57/41/83/621574183.db2.gz AWSUIYHCQLVHQN-UHFFFAOYSA-N 1 0 324.428 3.140 20 10 DGCDRO CN(C)c1cc(F)c(CN2CCCC23CC[NH+](C)CC3)cc1F ZINC000862334520 621574891 /nfs/dbraw/zinc/57/48/91/621574891.db2.gz OUNOKWVAUBBNOT-UHFFFAOYSA-N 1 0 323.431 3.091 20 10 DGCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862366019 621579396 /nfs/dbraw/zinc/57/93/96/621579396.db2.gz AJFUAOWMAAQBQO-SUMWQHHRSA-N 1 0 323.431 3.089 20 10 DGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862371431 621580582 /nfs/dbraw/zinc/58/05/82/621580582.db2.gz IWPAECBSOPKVEX-QGZVFWFLSA-N 1 0 312.404 3.015 20 10 DGCDRO Cc1nc(C)c(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000862395268 621584145 /nfs/dbraw/zinc/58/41/45/621584145.db2.gz YPAYPGFWTHUNNE-ZDUSSCGKSA-N 1 0 301.434 3.387 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1O ZINC000862432604 621589200 /nfs/dbraw/zinc/58/92/00/621589200.db2.gz KDYNHBNLXWSRML-QGZVFWFLSA-N 1 0 321.804 3.057 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862489556 621595743 /nfs/dbraw/zinc/59/57/43/621595743.db2.gz PDHKMQYUOPDXNS-KEGWNNHHSA-N 1 0 314.429 3.007 20 10 DGCDRO COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC000756032405 621610808 /nfs/dbraw/zinc/61/08/08/621610808.db2.gz QDZPFMVHDWIFGE-KRWDZBQOSA-N 1 0 310.441 3.408 20 10 DGCDRO CCN(CC[NH2+][C@@H](C)c1ccccc1O)CCC(F)(F)F ZINC000756049876 621611976 /nfs/dbraw/zinc/61/19/76/621611976.db2.gz LBXRQEMYRHKNQB-LBPRGKRZSA-N 1 0 304.356 3.317 20 10 DGCDRO Oc1ccccc1CN(CC[NH+]1CCCC1)Cc1ccco1 ZINC000756319858 621627805 /nfs/dbraw/zinc/62/78/05/621627805.db2.gz QKVMKDLZUAFCKE-UHFFFAOYSA-N 1 0 300.402 3.083 20 10 DGCDRO C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756361254 621631005 /nfs/dbraw/zinc/63/10/05/621631005.db2.gz JQKHYCNQKJPNKE-ZDUSSCGKSA-N 1 0 312.404 3.443 20 10 DGCDRO CCC[C@H](O)C[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000119239701 621633148 /nfs/dbraw/zinc/63/31/48/621633148.db2.gz YVZMIYVSGYAZCR-AAEUAGOBSA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc2ccccc2c1O ZINC000756383697 621633388 /nfs/dbraw/zinc/63/33/88/621633388.db2.gz ZYJUHGNYUNYLAR-FZKQIMNGSA-N 1 0 320.392 3.423 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c(O)c1C ZINC000756397602 621635046 /nfs/dbraw/zinc/63/50/46/621635046.db2.gz WDKCMIUXXTYXLW-OAHLLOKOSA-N 1 0 318.461 3.307 20 10 DGCDRO COc1ncccc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756394780 621635206 /nfs/dbraw/zinc/63/52/06/621635206.db2.gz YEUODJXHRMOPIF-GXFFZTMASA-N 1 0 302.349 3.273 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCN2CCC(C)CC2)c2c1c(F)ccc2O ZINC000756412944 621636932 /nfs/dbraw/zinc/63/69/32/621636932.db2.gz WMNGUPHMIWKGCM-DZGCQCFKSA-N 1 0 306.425 3.401 20 10 DGCDRO COCCOc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000756429327 621638279 /nfs/dbraw/zinc/63/82/79/621638279.db2.gz GLIJBEJJULKYJK-CYBMUJFWSA-N 1 0 319.376 3.407 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCCc2cnn(C)c2)c2c1c(F)ccc2O ZINC000756525463 621644873 /nfs/dbraw/zinc/64/48/73/621644873.db2.gz BTVFLBCGJDALPP-SMDDNHRTSA-N 1 0 303.381 3.036 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Br)ccc1O ZINC000756576453 621650895 /nfs/dbraw/zinc/65/08/95/621650895.db2.gz UNZIDDPFJJFTJZ-IINYFYTJSA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c2c1c(F)ccc2O ZINC000756588138 621651298 /nfs/dbraw/zinc/65/12/98/621651298.db2.gz FLJJDNGVAYIDMZ-SXUOVDMSSA-N 1 0 313.438 3.216 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCOC[C@@H]2CCOC2)c(O)c1C ZINC000756602955 621652382 /nfs/dbraw/zinc/65/23/82/621652382.db2.gz HBIPMWYWIWODDC-HOTGVXAUSA-N 1 0 307.434 3.103 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCOC[C@H]2CCOC2)c(O)c1C ZINC000756602957 621652388 /nfs/dbraw/zinc/65/23/88/621652388.db2.gz HBIPMWYWIWODDC-JKSUJKDBSA-N 1 0 307.434 3.103 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000756614937 621652835 /nfs/dbraw/zinc/65/28/35/621652835.db2.gz CIEVMOFBOAHOOQ-LSDHHAIUSA-N 1 0 302.462 3.406 20 10 DGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)C(C)C ZINC000756628074 621653480 /nfs/dbraw/zinc/65/34/80/621653480.db2.gz VEFIAZPXFHGOCJ-HZMBPMFUSA-N 1 0 316.239 3.476 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c(O)c1C ZINC000756650012 621656148 /nfs/dbraw/zinc/65/61/48/621656148.db2.gz SVAIDIQYKHNZLX-ZDUSSCGKSA-N 1 0 320.433 3.279 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000756659185 621656667 /nfs/dbraw/zinc/65/66/67/621656667.db2.gz PAWAJGOTVASKQH-LLVKDONJSA-N 1 0 313.323 3.310 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1 ZINC000756661224 621657065 /nfs/dbraw/zinc/65/70/65/621657065.db2.gz ZHISBLNFKOWEHD-GOEBONIOSA-N 1 0 316.445 3.142 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000756762559 621662800 /nfs/dbraw/zinc/66/28/00/621662800.db2.gz PJHJIOGDZBEECP-RHSMWYFYSA-N 1 0 316.445 3.285 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c(O)c1C ZINC000756771519 621663541 /nfs/dbraw/zinc/66/35/41/621663541.db2.gz XPELVJRYZAVPQN-FOIQADDNSA-N 1 0 311.425 3.494 20 10 DGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C2 ZINC000756774910 621663771 /nfs/dbraw/zinc/66/37/71/621663771.db2.gz MHQHJKDBRNNKEE-RISCZKNCSA-N 1 0 317.360 3.194 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000756775697 621663823 /nfs/dbraw/zinc/66/38/23/621663823.db2.gz RGPVJCJTWNIDQQ-NHYWBVRUSA-N 1 0 323.795 3.439 20 10 DGCDRO CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756792205 621664848 /nfs/dbraw/zinc/66/48/48/621664848.db2.gz ZWWGUFCLFNUFQF-NDGTYSDOSA-N 1 0 307.409 3.466 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)c2c1c(F)ccc2O ZINC000756788878 621664908 /nfs/dbraw/zinc/66/49/08/621664908.db2.gz FVWAVODJYRPWPN-MLGOLLRUSA-N 1 0 315.388 3.404 20 10 DGCDRO CO[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(F)(F)F ZINC000756835477 621667025 /nfs/dbraw/zinc/66/70/25/621667025.db2.gz MTYWDSQPRBUXOH-OVYXKVPISA-N 1 0 307.287 3.247 20 10 DGCDRO CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000863546574 621683111 /nfs/dbraw/zinc/68/31/11/621683111.db2.gz LFXAZHNRCFKAJL-ZWKOPEQDSA-N 1 0 302.340 3.202 20 10 DGCDRO [NH3+]C[C@H]1CN(Cc2c(O)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000863646294 621693294 /nfs/dbraw/zinc/69/32/94/621693294.db2.gz ISGYFGSFMYOJON-ONGXEEELSA-N 1 0 322.758 3.005 20 10 DGCDRO CCC[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CC[NH2+]CC1 ZINC000843045383 621695536 /nfs/dbraw/zinc/69/55/36/621695536.db2.gz WBLBJYLFZCIFGI-UHFFFAOYSA-N 1 0 300.805 3.149 20 10 DGCDRO c1c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)[nH]c2ccccc12 ZINC000119732392 621721484 /nfs/dbraw/zinc/72/14/84/621721484.db2.gz VRHYQRHWUFCGHF-UHFFFAOYSA-N 1 0 321.424 3.294 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000757653538 621731220 /nfs/dbraw/zinc/73/12/20/621731220.db2.gz JIHYGISANNIZBA-JSGCOSHPSA-N 1 0 307.365 3.423 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000757656528 621731478 /nfs/dbraw/zinc/73/14/78/621731478.db2.gz JHQSVQBRSBWFIJ-WDEREUQCSA-N 1 0 314.223 3.232 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)cn1 ZINC000757917630 621746880 /nfs/dbraw/zinc/74/68/80/621746880.db2.gz LWAHHRDHIZAABI-UHFFFAOYSA-N 1 0 306.793 3.390 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3cccs3)CC2)c1 ZINC000119904156 621749729 /nfs/dbraw/zinc/74/97/29/621749729.db2.gz LRKLKHBLSGPQAY-UHFFFAOYSA-N 1 0 302.443 3.080 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2nc3ccc(F)cc3s2)c1 ZINC000758344379 621775951 /nfs/dbraw/zinc/77/59/51/621775951.db2.gz SHQRGRMUFLASSH-UHFFFAOYSA-N 1 0 318.373 3.439 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC=C(c3ccccc3)C1)[C@@H](O)CO2 ZINC000789545225 625521209 /nfs/dbraw/zinc/52/12/09/625521209.db2.gz FJOLYZYIHPTHOK-IBGZPJMESA-N 1 0 323.392 3.107 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759852591 621897310 /nfs/dbraw/zinc/89/73/10/621897310.db2.gz OWZPEAPXGDKSHX-MRXNPFEDSA-N 1 0 309.768 3.350 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccnn3CC3CCC3)ccc21 ZINC000865438065 621920713 /nfs/dbraw/zinc/92/07/13/621920713.db2.gz YPTVVUVLZUEONJ-UHFFFAOYSA-N 1 0 324.472 3.355 20 10 DGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000760886933 621971844 /nfs/dbraw/zinc/97/18/44/621971844.db2.gz OZHBLXJQCHXTLI-FSPWUOQZSA-N 1 0 315.413 3.390 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCCC[C@H]2F)ccc1N1CCOCC1 ZINC000865698948 621980086 /nfs/dbraw/zinc/98/00/86/621980086.db2.gz JBSRHPICJQSBEA-ZBFHGGJFSA-N 1 0 310.388 3.033 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1O ZINC000865762560 621990979 /nfs/dbraw/zinc/99/09/79/621990979.db2.gz QRMSYPOBRSUMMX-DOTOQJQBSA-N 1 0 305.418 3.086 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1O ZINC000761193415 621993119 /nfs/dbraw/zinc/99/31/19/621993119.db2.gz AWKSVLHHQQAECF-CQSZACIVSA-N 1 0 321.808 3.088 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1O ZINC000761213505 621994625 /nfs/dbraw/zinc/99/46/25/621994625.db2.gz AFHDHQLWCWLJOC-NSHDSACASA-N 1 0 321.751 3.258 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000865783693 621994908 /nfs/dbraw/zinc/99/49/08/621994908.db2.gz SCNDSYISRJLYSK-XCJDPYLSSA-N 1 0 314.473 3.418 20 10 DGCDRO Cc1nc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000761220490 621995335 /nfs/dbraw/zinc/99/53/35/621995335.db2.gz GLODFRNCEPPYHV-UHFFFAOYSA-N 1 0 305.447 3.028 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000761226436 621995597 /nfs/dbraw/zinc/99/55/97/621995597.db2.gz QBHGMIHNSILEHK-INIZCTEOSA-N 1 0 302.462 3.391 20 10 DGCDRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000865806718 621998460 /nfs/dbraw/zinc/99/84/60/621998460.db2.gz MWWAJBGBWABVGL-INIZCTEOSA-N 1 0 302.805 3.322 20 10 DGCDRO C/C=C(\C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761980990 622043450 /nfs/dbraw/zinc/04/34/50/622043450.db2.gz LTFLWNMWOCKMSX-NEDLJVEISA-N 1 0 322.836 3.092 20 10 DGCDRO C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1O ZINC000866160908 622056508 /nfs/dbraw/zinc/05/65/08/622056508.db2.gz HJFRGCJUJMKUFR-ZDUSSCGKSA-N 1 0 313.401 3.337 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1C ZINC000762619164 622087115 /nfs/dbraw/zinc/08/71/15/622087115.db2.gz XQCFYZMQZJGLQL-BMFZPTHFSA-N 1 0 309.500 3.473 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCc4ncccc43)C2)cc1 ZINC000866384946 622107712 /nfs/dbraw/zinc/10/77/12/622107712.db2.gz GUUFUQHVTKBLLX-QRWLVFNGSA-N 1 0 323.440 3.336 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(N2CCCCCC2)cc1 ZINC000866414290 622113558 /nfs/dbraw/zinc/11/35/58/622113558.db2.gz CJQWZLNEODACKC-NUJGCVRESA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)CC1(C)OCCO1 ZINC000866424018 622115133 /nfs/dbraw/zinc/11/51/33/622115133.db2.gz CPDOCTRQZGGKIU-NEPJUHHUSA-N 1 0 313.825 3.485 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(N2CCCCC2)cc1 ZINC000866442048 622118816 /nfs/dbraw/zinc/11/88/16/622118816.db2.gz CKJYZHRMMZAETC-XJKSGUPXSA-N 1 0 312.404 3.344 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866463917 622122253 /nfs/dbraw/zinc/12/22/53/622122253.db2.gz QGKVOQONCOGANG-JWYUURKGSA-N 1 0 311.731 3.398 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1O ZINC000866513112 622130434 /nfs/dbraw/zinc/13/04/34/622130434.db2.gz RMRFDZGQLKTSMK-JDFRZJQESA-N 1 0 305.418 3.257 20 10 DGCDRO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866517831 622131526 /nfs/dbraw/zinc/13/15/26/622131526.db2.gz OMRHILKVYXZGDF-POZPTJLLSA-N 1 0 321.421 3.214 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1O ZINC000866539844 622134948 /nfs/dbraw/zinc/13/49/48/622134948.db2.gz QFXYSTKYYCUGAT-INWMFGNUSA-N 1 0 305.418 3.114 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1cc(F)ccc1O ZINC000866563055 622138926 /nfs/dbraw/zinc/13/89/26/622138926.db2.gz JGJCBJSPIVCLTA-YVEFUNNKSA-N 1 0 300.377 3.369 20 10 DGCDRO Cc1cccc2c1C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000763501064 622148384 /nfs/dbraw/zinc/14/83/84/622148384.db2.gz FUDPQWLPOOGLID-UHFFFAOYSA-N 1 0 322.452 3.390 20 10 DGCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CCOC1 ZINC000763572752 622152953 /nfs/dbraw/zinc/15/29/53/622152953.db2.gz OQPRPSLHZSLHDA-QFBILLFUSA-N 1 0 318.461 3.133 20 10 DGCDRO C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1O ZINC000868124265 622216193 /nfs/dbraw/zinc/21/61/93/622216193.db2.gz SAJTUHOFDNKDFN-CYBMUJFWSA-N 1 0 319.449 3.015 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000764769800 622218639 /nfs/dbraw/zinc/21/86/39/622218639.db2.gz LLBYIPYMNUJLPR-KPZWWZAWSA-N 1 0 320.383 3.415 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000764769803 622218977 /nfs/dbraw/zinc/21/89/77/622218977.db2.gz LLBYIPYMNUJLPR-KZULUSFZSA-N 1 0 320.383 3.415 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]CCOCC1CCC1 ZINC000764980596 622237258 /nfs/dbraw/zinc/23/72/58/622237258.db2.gz OBUFNGXMCIBZRX-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000765480331 622267555 /nfs/dbraw/zinc/26/75/55/622267555.db2.gz LTRIUJBCTTXNBH-HXUWFJFHSA-N 1 0 324.468 3.416 20 10 DGCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000765794502 622287869 /nfs/dbraw/zinc/28/78/69/622287869.db2.gz CTLACDVCANISMH-MSOLQXFVSA-N 1 0 324.424 3.064 20 10 DGCDRO CC[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccc(N(C)C)cc1 ZINC000765846826 622290774 /nfs/dbraw/zinc/29/07/74/622290774.db2.gz ZSMMVSUARNSMLU-GOSISDBHSA-N 1 0 317.477 3.196 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c(O)cc1C ZINC000766115382 622307347 /nfs/dbraw/zinc/30/73/47/622307347.db2.gz FMBLIXRWLFZPOM-LLVKDONJSA-N 1 0 303.324 3.484 20 10 DGCDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000766215435 622312771 /nfs/dbraw/zinc/31/27/71/622312771.db2.gz ZYTGEGYGXGMUCE-CRAIPNDOSA-N 1 0 302.462 3.438 20 10 DGCDRO C[C@H]([NH2+]CCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000766525696 622336698 /nfs/dbraw/zinc/33/66/98/622336698.db2.gz APFPCOLSUPQZRA-NSHDSACASA-N 1 0 320.330 3.265 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000129210190 625559011 /nfs/dbraw/zinc/55/90/11/625559011.db2.gz OHDGHQDPSOXACX-QGZVFWFLSA-N 1 0 319.468 3.342 20 10 DGCDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000767417123 622397261 /nfs/dbraw/zinc/39/72/61/622397261.db2.gz IPAILMXLYFRONE-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1c(O)cccc1Cl)C2 ZINC000767726563 622419077 /nfs/dbraw/zinc/41/90/77/622419077.db2.gz DMYAKIJYBGWTNO-ZDUSSCGKSA-N 1 0 303.789 3.398 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)c1ccccc1 ZINC000789778216 625565861 /nfs/dbraw/zinc/56/58/61/625565861.db2.gz GNZDGCZSYGOTEJ-ZWKOTPCHSA-N 1 0 303.377 3.379 20 10 DGCDRO Cc1ccc(O)c(CN(C)CC(=O)Nc2ccccc2Cl)c1 ZINC000768170104 622443329 /nfs/dbraw/zinc/44/33/29/622443329.db2.gz KPCPKZRIUIKWHW-UHFFFAOYSA-N 1 0 318.804 3.425 20 10 DGCDRO Cc1cccc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000768194543 622445138 /nfs/dbraw/zinc/44/51/38/622445138.db2.gz AMGDHULIOJRRSF-UHFFFAOYSA-N 1 0 310.441 3.327 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(CCc3ccccc3)CC2)c1 ZINC000768216212 622445986 /nfs/dbraw/zinc/44/59/86/622445986.db2.gz RBFYEPCNNWQYFP-UHFFFAOYSA-N 1 0 310.441 3.061 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c(O)cc1C ZINC000768438989 622455690 /nfs/dbraw/zinc/45/56/90/622455690.db2.gz DSDWYQWYNFKRFJ-CQSZACIVSA-N 1 0 302.374 3.343 20 10 DGCDRO CC[N@H+](Cc1ccccc1C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440456 622456012 /nfs/dbraw/zinc/45/60/12/622456012.db2.gz WHXVPGKPBDAFOK-GOSISDBHSA-N 1 0 313.397 3.149 20 10 DGCDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000768443049 622456318 /nfs/dbraw/zinc/45/63/18/622456318.db2.gz YBQMOZWONSGMHX-WMLDXEAASA-N 1 0 324.424 3.145 20 10 DGCDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445156 622456919 /nfs/dbraw/zinc/45/69/19/622456919.db2.gz QEYVBTQFPLLXSW-CZUORRHYSA-N 1 0 305.418 3.219 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC3(CCCCC3)C1)[C@H](O)CO2 ZINC000768447962 622457067 /nfs/dbraw/zinc/45/70/67/622457067.db2.gz SBORZIPCLNJOFO-QGZVFWFLSA-N 1 0 317.429 3.364 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]3COCC[C@@H]31)CCCC2 ZINC000768462610 622457961 /nfs/dbraw/zinc/45/79/61/622457961.db2.gz ANSFZJFHZJOIAK-AEFFLSMTSA-N 1 0 301.430 3.272 20 10 DGCDRO COc1cc(C[N@@H+]2CCc3c(F)cccc3C2)c(O)cc1C ZINC000768465396 622458053 /nfs/dbraw/zinc/45/80/53/622458053.db2.gz KUJOVXJETOPCKA-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)nnn2C ZINC000768532703 622462360 /nfs/dbraw/zinc/46/23/60/622462360.db2.gz FBNRABRMJIYWBW-UHFFFAOYSA-N 1 0 323.444 3.056 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC000768531305 622462484 /nfs/dbraw/zinc/46/24/84/622462484.db2.gz AFWUMBYBRFJZJV-HNNXBMFYSA-N 1 0 317.351 3.226 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H](CCOC)C2)c(O)c1 ZINC000768542791 622463922 /nfs/dbraw/zinc/46/39/22/622463922.db2.gz ZHEOYOJFZVRYCX-OAHLLOKOSA-N 1 0 307.434 3.430 20 10 DGCDRO CCN(CC)CC[N@@H+](Cc1cccc(OC)c1O)CC(C)C ZINC000768741746 622473633 /nfs/dbraw/zinc/47/36/33/622473633.db2.gz KHUCYYMPWISLOA-UHFFFAOYSA-N 1 0 308.466 3.201 20 10 DGCDRO CC1(C)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CCS1 ZINC000789764295 625563242 /nfs/dbraw/zinc/56/32/42/625563242.db2.gz XVRTZPIHORSVKS-UHFFFAOYSA-N 1 0 320.502 3.241 20 10 DGCDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000768891316 622483651 /nfs/dbraw/zinc/48/36/51/622483651.db2.gz CNFVNOBPKPAMCH-CYBMUJFWSA-N 1 0 305.805 3.429 20 10 DGCDRO COc1ccc(CCC[N@H+](C)Cc2c(O)cccc2OC)cc1 ZINC000768921483 622485153 /nfs/dbraw/zinc/48/51/53/622485153.db2.gz WYKHKQMPRHBJAU-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000769107122 622499114 /nfs/dbraw/zinc/49/91/14/622499114.db2.gz UDNLVSKWOBVIRU-AUUYWEPGSA-N 1 0 313.397 3.363 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)cc1C ZINC000789866935 625572064 /nfs/dbraw/zinc/57/20/64/625572064.db2.gz VAQUXWLGWGMHIT-SREVYHEPSA-N 1 0 320.433 3.180 20 10 DGCDRO COc1ccccc1CC[N@H+](C)Cc1c(O)cccc1OC ZINC000769335309 622518692 /nfs/dbraw/zinc/51/86/92/622518692.db2.gz WCRNWLLDHCSDIZ-UHFFFAOYSA-N 1 0 301.386 3.084 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000769388710 622523837 /nfs/dbraw/zinc/52/38/37/622523837.db2.gz XQRBIZJTCCKTNN-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO CC[N@H+](Cc1cc(C)ccc1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000769404234 622525358 /nfs/dbraw/zinc/52/53/58/622525358.db2.gz PUVMPZYIWNJMTQ-SFHVURJKSA-N 1 0 324.424 3.328 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CCC(=O)OC)C(C)C)cc1 ZINC000769405351 622525373 /nfs/dbraw/zinc/52/53/73/622525373.db2.gz ULUDFEVLKNUEEA-UHFFFAOYSA-N 1 0 306.450 3.306 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccco2)c2c1c(F)ccc2O ZINC000769412767 622525805 /nfs/dbraw/zinc/52/58/05/622525805.db2.gz ISTBOFFZSXGPHL-KGYLQXTDSA-N 1 0 305.349 3.386 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@H](CC)CN1C(C)=O ZINC000769494944 622533991 /nfs/dbraw/zinc/53/39/91/622533991.db2.gz CBEKDRZYYLBGND-HZPDHXFCSA-N 1 0 324.852 3.267 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1C2CCCC1CCC2 ZINC000769498540 622534270 /nfs/dbraw/zinc/53/42/70/622534270.db2.gz KMKBOMVQVQJUES-UHFFFAOYSA-N 1 0 300.446 3.430 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000769504262 622535114 /nfs/dbraw/zinc/53/51/14/622535114.db2.gz RXGWXWIPPGRMPG-UHFFFAOYSA-N 1 0 305.418 3.039 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@H+](C)C[C@H](C)C(=O)NC)cc1 ZINC000769570141 622541482 /nfs/dbraw/zinc/54/14/82/622541482.db2.gz XGGGECKSKIXVKI-INIZCTEOSA-N 1 0 319.493 3.127 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccsc2)c2c1c(F)ccc2O ZINC000769990656 622586991 /nfs/dbraw/zinc/58/69/91/622586991.db2.gz VUEFMRMRDPGDHF-OASPWFOLSA-N 1 0 307.390 3.464 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000770377266 622626853 /nfs/dbraw/zinc/62/68/53/622626853.db2.gz ZDOVDLWKJIYLQG-CABCVRRESA-N 1 0 305.418 3.039 20 10 DGCDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC000770504529 622640595 /nfs/dbraw/zinc/64/05/95/622640595.db2.gz IJPPRGIEEZUEDH-DZGCQCFKSA-N 1 0 320.433 3.270 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@@H]1CCCOC1 ZINC000872029554 622762150 /nfs/dbraw/zinc/76/21/50/622762150.db2.gz RUJPXVDIJDWZEF-MSOLQXFVSA-N 1 0 302.462 3.364 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCCOC1 ZINC000872083641 622795460 /nfs/dbraw/zinc/79/54/60/622795460.db2.gz CTPWDODFAMABKL-FCEWJHQRSA-N 1 0 318.461 3.069 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccnc(SC)c2)c1 ZINC000771883753 622808926 /nfs/dbraw/zinc/80/89/26/622808926.db2.gz ZKMSMNAIDJTAJU-UHFFFAOYSA-N 1 0 304.415 3.198 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)c(O)c1 ZINC000872108808 622810649 /nfs/dbraw/zinc/81/06/49/622810649.db2.gz DTDPDGJTASNEPG-NSHDSACASA-N 1 0 313.323 3.267 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2=O)c2c1c(F)ccc2O ZINC000872113214 622814818 /nfs/dbraw/zinc/81/48/18/622814818.db2.gz NNTFIDJNPVIRCA-NQBHXWOUSA-N 1 0 307.365 3.013 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000771935585 622820247 /nfs/dbraw/zinc/82/02/47/622820247.db2.gz YSFJWXUUVPLEAM-HXUWFJFHSA-N 1 0 309.457 3.241 20 10 DGCDRO CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000872254331 622867714 /nfs/dbraw/zinc/86/77/14/622867714.db2.gz ZTANIPKQEHHHTN-SNVBAGLBSA-N 1 0 300.805 3.053 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OC3CCC3)CC1)OCO2 ZINC000872260931 622871361 /nfs/dbraw/zinc/87/13/61/622871361.db2.gz WRUSOUJIZAJNBX-HNNXBMFYSA-N 1 0 319.401 3.045 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872721926 622960097 /nfs/dbraw/zinc/96/00/97/622960097.db2.gz PMMLCVCSVLXDTH-KGLIPLIRSA-N 1 0 300.427 3.125 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773009903 622965707 /nfs/dbraw/zinc/96/57/07/622965707.db2.gz PXVKAVGKASMIRD-KDOFPFPSSA-N 1 0 314.429 3.145 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773012601 622967174 /nfs/dbraw/zinc/96/71/74/622967174.db2.gz WOMURQYWVNDYCB-SCLBCKFNSA-N 1 0 302.393 3.276 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOc2ncccc2F)cc1 ZINC000773083108 622980350 /nfs/dbraw/zinc/98/03/50/622980350.db2.gz KEXJWHSBBOGSPB-CQSZACIVSA-N 1 0 317.408 3.406 20 10 DGCDRO CC(=O)C1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000872798803 622981466 /nfs/dbraw/zinc/98/14/66/622981466.db2.gz RXEZSIVLECSRIM-UHFFFAOYSA-N 1 0 305.418 3.196 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1)CCC2 ZINC000872814675 622984061 /nfs/dbraw/zinc/98/40/61/622984061.db2.gz SYPXLAARROOHTM-OAHLLOKOSA-N 1 0 315.335 3.034 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000773107208 622984849 /nfs/dbraw/zinc/98/48/49/622984849.db2.gz MEPBJQTUISJLGJ-MRXNPFEDSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1O ZINC000773262203 623005542 /nfs/dbraw/zinc/00/55/42/623005542.db2.gz OIZHEZOGFOTEFZ-CVEARBPZSA-N 1 0 319.445 3.348 20 10 DGCDRO CCCCn1cc(C[NH2+]Cc2ccc(OCC)cc2O)c(C)n1 ZINC000773410783 623024120 /nfs/dbraw/zinc/02/41/20/623024120.db2.gz WECSPKQUZSWRHA-UHFFFAOYSA-N 1 0 317.433 3.386 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2cccn(CC)c2=O)cc1C ZINC000873115922 623039859 /nfs/dbraw/zinc/03/98/59/623039859.db2.gz RHHGDVGIMOSPIF-UHFFFAOYSA-N 1 0 314.429 3.255 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1C ZINC000873132151 623043503 /nfs/dbraw/zinc/04/35/03/623043503.db2.gz JKGIFNPRYKOPQJ-JCNLHEQBSA-N 1 0 318.461 3.165 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1C ZINC000873131263 623044227 /nfs/dbraw/zinc/04/42/27/623044227.db2.gz QSIPGTGXSLEOBS-IRXDYDNUSA-N 1 0 316.445 3.027 20 10 DGCDRO CCN(C)c1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000773747492 623066568 /nfs/dbraw/zinc/06/65/68/623066568.db2.gz GVWNBKZYBJIAOK-LJQANCHMSA-N 1 0 301.478 3.203 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000773773736 623071385 /nfs/dbraw/zinc/07/13/85/623071385.db2.gz AICOAJDUAHGZKL-FQEVSTJZSA-N 1 0 310.441 3.234 20 10 DGCDRO COc1cc(Cl)cc(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c1O ZINC000873214317 623077355 /nfs/dbraw/zinc/07/73/55/623077355.db2.gz BUYMZQAKNMMNLK-LSDHHAIUSA-N 1 0 318.804 3.481 20 10 DGCDRO CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000873224209 623081449 /nfs/dbraw/zinc/08/14/49/623081449.db2.gz XPNYHIIOEZVVGW-INIZCTEOSA-N 1 0 314.832 3.382 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCCC(C)(C)C2)c1 ZINC000774488930 623152066 /nfs/dbraw/zinc/15/20/66/623152066.db2.gz SDCFYQUOVUQTFT-AWEZNQCLSA-N 1 0 306.450 3.173 20 10 DGCDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000775185798 623239691 /nfs/dbraw/zinc/23/96/91/623239691.db2.gz WKJURRGHRZSJGB-QGZVFWFLSA-N 1 0 309.381 3.229 20 10 DGCDRO C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(N(C)C)cc1 ZINC000775365154 623260163 /nfs/dbraw/zinc/26/01/63/623260163.db2.gz VCCXEIRYYIWFFY-AWEZNQCLSA-N 1 0 308.429 3.490 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c(O)c1 ZINC000775371636 623260970 /nfs/dbraw/zinc/26/09/70/623260970.db2.gz OPBCTTPEDSRACZ-FUHWJXTLSA-N 1 0 307.434 3.474 20 10 DGCDRO COCCC1(C[NH2+]Cc2c(O)cccc2OC)CCCCC1 ZINC000775374156 623261330 /nfs/dbraw/zinc/26/13/30/623261330.db2.gz HWXFGYRFFSVJFY-UHFFFAOYSA-N 1 0 307.434 3.477 20 10 DGCDRO C[C@H]([NH2+]CCc1cnccn1)c1ccc(N2CCCCC2)cc1 ZINC000775419605 623273845 /nfs/dbraw/zinc/27/38/45/623273845.db2.gz VNVPDPXGTQHCCM-INIZCTEOSA-N 1 0 310.445 3.360 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1O ZINC000775488061 623280114 /nfs/dbraw/zinc/28/01/14/623280114.db2.gz GJYJDLJYWWVAMK-YJBOKZPZSA-N 1 0 317.404 3.423 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccccc1O ZINC000775488060 623280120 /nfs/dbraw/zinc/28/01/20/623280120.db2.gz GJYJDLJYWWVAMK-QAPCUYQASA-N 1 0 317.404 3.423 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Cl)ccc1O ZINC000775494295 623280761 /nfs/dbraw/zinc/28/07/61/623280761.db2.gz ZHGLGJRNRRMIPQ-HNNXBMFYSA-N 1 0 324.852 3.489 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Cl)ccc1O ZINC000775517877 623283267 /nfs/dbraw/zinc/28/32/67/623283267.db2.gz AGMFYQSSEUNRGJ-CYBMUJFWSA-N 1 0 312.841 3.391 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1cc(Cl)ccc1O ZINC000775524336 623283682 /nfs/dbraw/zinc/28/36/82/623283682.db2.gz NSYSIIJJPYAWLF-ZIAGYGMSSA-N 1 0 310.825 3.096 20 10 DGCDRO CC[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cc(Cl)ccc1O ZINC000775522760 623283848 /nfs/dbraw/zinc/28/38/48/623283848.db2.gz ZPKNZYJVECBROV-WSHAHDTKSA-N 1 0 303.855 3.243 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1O ZINC000775522678 623283879 /nfs/dbraw/zinc/28/38/79/623283879.db2.gz XNLIHDSFQGZFPA-IAGOWNOFSA-N 1 0 316.445 3.367 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(Cl)ccc1O ZINC000775522396 623283945 /nfs/dbraw/zinc/28/39/45/623283945.db2.gz OIQKZZAUSSJHST-TZMCWYRMSA-N 1 0 305.809 3.367 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1cc(Cl)ccc1O ZINC000775527822 623285011 /nfs/dbraw/zinc/28/50/11/623285011.db2.gz UQUBYWKNHQHMOK-JXBWDGJFSA-N 1 0 303.855 3.243 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(CCc3ccccc3)CC2)c1O ZINC000775644625 623302830 /nfs/dbraw/zinc/30/28/30/623302830.db2.gz LIXDHLNFLCSTTB-UHFFFAOYSA-N 1 0 310.441 3.061 20 10 DGCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000775647945 623303914 /nfs/dbraw/zinc/30/39/14/623303914.db2.gz IWQVQUZDZLWBKP-IBGZPJMESA-N 1 0 310.441 3.407 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1O ZINC000775654202 623305419 /nfs/dbraw/zinc/30/54/19/623305419.db2.gz IGPJVJPXORXTFR-CYBMUJFWSA-N 1 0 303.324 3.244 20 10 DGCDRO CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775658821 623306000 /nfs/dbraw/zinc/30/60/00/623306000.db2.gz SUIYRZLVQKZIAI-UHFFFAOYSA-N 1 0 314.832 3.491 20 10 DGCDRO Cc1cccc(C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c1O ZINC000775724561 623319566 /nfs/dbraw/zinc/31/95/66/623319566.db2.gz LUUNEQLZYQCSNW-LJQANCHMSA-N 1 0 310.441 3.407 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775829942 623338644 /nfs/dbraw/zinc/33/86/44/623338644.db2.gz BEMNUBYAXSGBMQ-JYJNAYRXSA-N 1 0 317.477 3.193 20 10 DGCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000775835232 623339220 /nfs/dbraw/zinc/33/92/20/623339220.db2.gz SNKPFOPWBVHJJU-GFCCVEGCSA-N 1 0 316.401 3.291 20 10 DGCDRO Cc1cccc(C[NH2+]Cc2ccccc2Cn2ccnc2)c1O ZINC000775931822 623352424 /nfs/dbraw/zinc/35/24/24/623352424.db2.gz YMAWZJDWCCZXOF-UHFFFAOYSA-N 1 0 307.397 3.235 20 10 DGCDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(N3CCCCC3)cc2)CCN1C ZINC000775986217 623361115 /nfs/dbraw/zinc/36/11/15/623361115.db2.gz PYYNKKTYMBBSCS-IAGOWNOFSA-N 1 0 301.478 3.201 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000776154507 623383629 /nfs/dbraw/zinc/38/36/29/623383629.db2.gz UCIAODUGTNJMJZ-SCAQPMJSSA-N 1 0 318.461 3.210 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1N(C)C ZINC000776163450 623386107 /nfs/dbraw/zinc/38/61/07/623386107.db2.gz BKMZXOQMMFEQAI-CGTJXYLNSA-N 1 0 300.446 3.108 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000776231152 623400080 /nfs/dbraw/zinc/40/00/80/623400080.db2.gz NLTBDZFXMXAPHR-QUJCMNEKSA-N 1 0 313.397 3.444 20 10 DGCDRO Cc1nnc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)s1 ZINC000810242354 623463436 /nfs/dbraw/zinc/46/34/36/623463436.db2.gz ADGLKBGLRAQDBU-SECBINFHSA-N 1 0 311.838 3.407 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000125757287 623540416 /nfs/dbraw/zinc/54/04/16/623540416.db2.gz HJKMTVUVNITIID-GXTWGEPZSA-N 1 0 315.383 3.040 20 10 DGCDRO C[N@H+](Cc1ccsc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876548840 623640316 /nfs/dbraw/zinc/64/03/16/623640316.db2.gz VENSZMALNZTZOY-UHFFFAOYSA-N 1 0 316.470 3.341 20 10 DGCDRO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876571629 623647598 /nfs/dbraw/zinc/64/75/98/623647598.db2.gz BFVRBMWSWIXECS-HNNXBMFYSA-N 1 0 314.429 3.434 20 10 DGCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876579484 623650367 /nfs/dbraw/zinc/65/03/67/623650367.db2.gz SUOXROOQEPRDTA-IBGZPJMESA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000876583314 623650825 /nfs/dbraw/zinc/65/08/25/623650825.db2.gz HNAKWBDPZZULDY-UHFFFAOYSA-N 1 0 320.433 3.190 20 10 DGCDRO CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876625522 623663257 /nfs/dbraw/zinc/66/32/57/623663257.db2.gz XNHUXENWDKLJJF-UHFFFAOYSA-N 1 0 312.404 3.223 20 10 DGCDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC000876629493 623665022 /nfs/dbraw/zinc/66/50/22/623665022.db2.gz HNIFILXJXXOEGB-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000876635214 623665554 /nfs/dbraw/zinc/66/55/54/623665554.db2.gz PUXIQTDBARLYBE-MRXNPFEDSA-N 1 0 301.386 3.475 20 10 DGCDRO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c(O)c1 ZINC000876635597 623665580 /nfs/dbraw/zinc/66/55/80/623665580.db2.gz ZFTXPPGEPYGWKM-KRWDZBQOSA-N 1 0 301.386 3.475 20 10 DGCDRO CCC[N@H+](Cc1cnc2c(cnn2C)c1)Cc1ccccc1O ZINC000876654878 623671427 /nfs/dbraw/zinc/67/14/27/623671427.db2.gz SJUPWLCGCYKWJS-UHFFFAOYSA-N 1 0 310.401 3.086 20 10 DGCDRO Cc1ccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c(O)c1 ZINC000876773497 623702678 /nfs/dbraw/zinc/70/26/78/623702678.db2.gz SKVICCNFPPVZPI-NRFANRHFSA-N 1 0 303.427 3.070 20 10 DGCDRO CCOC(=O)CCC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876781904 623704525 /nfs/dbraw/zinc/70/45/25/623704525.db2.gz RFNADJNCDRNLJW-UHFFFAOYSA-N 1 0 305.418 3.256 20 10 DGCDRO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1ccccc1O ZINC000779034582 623723901 /nfs/dbraw/zinc/72/39/01/623723901.db2.gz YOGUSDQNJYHDSE-SJORKVTESA-N 1 0 317.429 3.336 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000779041646 623723948 /nfs/dbraw/zinc/72/39/48/623723948.db2.gz WRWPPQMPAGQTME-UWVGGRQHSA-N 1 0 316.239 3.273 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc2ccccc2c1O ZINC000779061705 623726019 /nfs/dbraw/zinc/72/60/19/623726019.db2.gz MKQKFBRFEWURGK-ZFWWWQNUSA-N 1 0 307.397 3.408 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(Cl)ccc1O ZINC000779067355 623726472 /nfs/dbraw/zinc/72/64/72/623726472.db2.gz VZBNVDPYQWIEHB-JSGCOSHPSA-N 1 0 305.809 3.298 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000876884657 623736163 /nfs/dbraw/zinc/73/61/63/623736163.db2.gz RAZZMBITJYOVMJ-QGZVFWFLSA-N 1 0 302.393 3.232 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c(O)c1 ZINC000876901727 623740353 /nfs/dbraw/zinc/74/03/53/623740353.db2.gz ISTAIUWCCKYXEK-UHFFFAOYSA-N 1 0 319.788 3.415 20 10 DGCDRO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876933260 623747533 /nfs/dbraw/zinc/74/75/33/623747533.db2.gz KOLGYOIMCMBHMF-CYBMUJFWSA-N 1 0 312.404 3.415 20 10 DGCDRO c1cc(N2CCSCC2)ccc1C[NH2+]CCC1CCOCC1 ZINC000876942915 623750603 /nfs/dbraw/zinc/75/06/03/623750603.db2.gz IRMUXORMSXEBJL-UHFFFAOYSA-N 1 0 320.502 3.146 20 10 DGCDRO CC(C)C1(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000876965794 623756426 /nfs/dbraw/zinc/75/64/26/623756426.db2.gz LHZMKWPUTQDGNJ-UHFFFAOYSA-N 1 0 316.489 3.421 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000877031915 623770096 /nfs/dbraw/zinc/77/00/96/623770096.db2.gz CUJHCJSJLDPXNF-UHFFFAOYSA-N 1 0 302.443 3.368 20 10 DGCDRO CCc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877058923 623778581 /nfs/dbraw/zinc/77/85/81/623778581.db2.gz HSVAXLMWEPYCML-UHFFFAOYSA-N 1 0 324.468 3.500 20 10 DGCDRO COc1c(C)cnc(C[NH2+]CCCSc2nccs2)c1C ZINC000877061295 623779473 /nfs/dbraw/zinc/77/94/73/623779473.db2.gz DATNRSRCQMETDG-UHFFFAOYSA-N 1 0 323.487 3.436 20 10 DGCDRO CCSCC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877063812 623781020 /nfs/dbraw/zinc/78/10/20/623781020.db2.gz KPILIZYDVNIRHU-HNNXBMFYSA-N 1 0 322.518 3.269 20 10 DGCDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877083931 623787670 /nfs/dbraw/zinc/78/76/70/623787670.db2.gz IDDRNEXVCPIAEU-HNNXBMFYSA-N 1 0 312.413 3.078 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c(O)c1 ZINC000877093719 623790589 /nfs/dbraw/zinc/79/05/89/623790589.db2.gz CMVUHBFFIXMROG-CQSZACIVSA-N 1 0 317.820 3.118 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000877122018 623796195 /nfs/dbraw/zinc/79/61/95/623796195.db2.gz FJKBABNMMXNUMW-YEJXKQKISA-N 1 0 303.427 3.289 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000877128383 623798479 /nfs/dbraw/zinc/79/84/79/623798479.db2.gz GOHRIUMDNUDBGV-UGSOOPFHSA-N 1 0 303.377 3.442 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c(O)c1 ZINC000877473063 623898599 /nfs/dbraw/zinc/89/85/99/623898599.db2.gz HHICBOKVRIQHDV-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000877473234 623898616 /nfs/dbraw/zinc/89/86/16/623898616.db2.gz IYOAUPUZQIGRNS-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000877476513 623901328 /nfs/dbraw/zinc/90/13/28/623901328.db2.gz GJNGSYMHHCWZQS-PKOBYXMFSA-N 1 0 315.388 3.096 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C ZINC000877506387 623916203 /nfs/dbraw/zinc/91/62/03/623916203.db2.gz VYPATDMOILAAFT-ZDUSSCGKSA-N 1 0 308.422 3.094 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000877560849 623941283 /nfs/dbraw/zinc/94/12/83/623941283.db2.gz BWDWXOWUWZOEDU-IEBWSBKVSA-N 1 0 315.388 3.001 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000877572206 623947629 /nfs/dbraw/zinc/94/76/29/623947629.db2.gz NOSCTOJMFJPZHT-GFCCVEGCSA-N 1 0 316.367 3.017 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000877575827 623949399 /nfs/dbraw/zinc/94/93/99/623949399.db2.gz FRBHFUNQHPXROV-UHFFFAOYSA-N 1 0 316.367 3.159 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000877591157 623954715 /nfs/dbraw/zinc/95/47/15/623954715.db2.gz APCJHUYMAVOEJI-MRXNPFEDSA-N 1 0 312.457 3.274 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]CC3CCSCC3)C2)cc1 ZINC000877598487 623958350 /nfs/dbraw/zinc/95/83/50/623958350.db2.gz OCJDAFITVSPGNR-MRXNPFEDSA-N 1 0 320.502 3.254 20 10 DGCDRO CC([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)(C1CC1)C1CC1 ZINC000877637869 623972593 /nfs/dbraw/zinc/97/25/93/623972593.db2.gz NQNUKXRRTBPHOQ-UHFFFAOYSA-N 1 0 314.473 3.316 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CCC(SC)CC2)c1O ZINC000877663076 623983217 /nfs/dbraw/zinc/98/32/17/623983217.db2.gz FNSUSKBGDIMQCA-UHFFFAOYSA-N 1 0 301.839 3.382 20 10 DGCDRO CSC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000877663325 623983245 /nfs/dbraw/zinc/98/32/45/623983245.db2.gz PCGHTMNCNAWDCV-UHFFFAOYSA-N 1 0 316.264 3.482 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@@]23C[C@@H]2CCCC3)cc1OC ZINC000877686836 623992879 /nfs/dbraw/zinc/99/28/79/623992879.db2.gz ZQHPPXSFYHIONM-UVBSCNOISA-N 1 0 305.418 3.468 20 10 DGCDRO CCOc1cccc(CN2CCC(CC)([NH+](C)C)CC2)c1O ZINC000877690108 623993821 /nfs/dbraw/zinc/99/38/21/623993821.db2.gz NGYYKWSBLSVRDW-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC[C@H]3CCCS3)cc2)CC1 ZINC000877697848 623995262 /nfs/dbraw/zinc/99/52/62/623995262.db2.gz NZOHXLIRSGNKKH-GOSISDBHSA-N 1 0 320.502 3.023 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)c1O ZINC000877702621 623997159 /nfs/dbraw/zinc/99/71/59/623997159.db2.gz VNLAESFMCGMWIY-AWEZNQCLSA-N 1 0 313.825 3.492 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1cn(C)c2ncccc12 ZINC000877734047 624008441 /nfs/dbraw/zinc/00/84/41/624008441.db2.gz GSBXBSIVTIZQJO-UHFFFAOYSA-N 1 0 322.456 3.280 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c1O ZINC000877739721 624012488 /nfs/dbraw/zinc/01/24/88/624012488.db2.gz SXVIATAQTJEOOY-CMPLNLGQSA-N 1 0 313.850 3.239 20 10 DGCDRO COc1ccccc1[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877758518 624023749 /nfs/dbraw/zinc/02/37/49/624023749.db2.gz GQKYLFPFURRLLF-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000877820068 624051578 /nfs/dbraw/zinc/05/15/78/624051578.db2.gz GDZWTSBHARCXTN-BXUZGUMPSA-N 1 0 303.324 3.242 20 10 DGCDRO c1cc2c(s1)C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000127060859 624252785 /nfs/dbraw/zinc/25/27/85/624252785.db2.gz SMPLAZHIWLZQMX-UHFFFAOYSA-N 1 0 314.454 3.143 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000878354271 624254075 /nfs/dbraw/zinc/25/40/75/624254075.db2.gz HSCJXBNLWQEAPG-HUUCEWRRSA-N 1 0 305.418 3.019 20 10 DGCDRO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C[C@@H](C)OC ZINC000782462558 624254502 /nfs/dbraw/zinc/25/45/02/624254502.db2.gz DDPRSMUCKJJBBW-MRXNPFEDSA-N 1 0 320.477 3.159 20 10 DGCDRO CCOCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000782955590 624294883 /nfs/dbraw/zinc/29/48/83/624294883.db2.gz IPYYOQKYBOPXIA-UHFFFAOYSA-N 1 0 313.397 3.284 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Br)ccc1O ZINC000783308450 624337354 /nfs/dbraw/zinc/33/73/54/624337354.db2.gz DXDABDVOBMRCAY-JQWIXIFHSA-N 1 0 312.207 3.498 20 10 DGCDRO C[C@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)c2c1c(F)ccc2O ZINC000783325861 624338325 /nfs/dbraw/zinc/33/83/25/624338325.db2.gz QDPRQKHYKWTPDS-NOLJZWGESA-N 1 0 315.388 3.273 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)[C@H](C)O1 ZINC000783539835 624363634 /nfs/dbraw/zinc/36/36/34/624363634.db2.gz DCEOFHVRXLQKBS-AGIUHOORSA-N 1 0 307.434 3.393 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccccc1O ZINC000805747640 624366797 /nfs/dbraw/zinc/36/67/97/624366797.db2.gz DPHJJQONTOSEJB-IUODEOHRSA-N 1 0 305.805 3.300 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCS[C@H]3C)CC2)cc1 ZINC000783609567 624373921 /nfs/dbraw/zinc/37/39/21/624373921.db2.gz YONGFBHTSSGGDQ-GUYCJALGSA-N 1 0 306.475 3.148 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000784000854 624419168 /nfs/dbraw/zinc/41/91/68/624419168.db2.gz IZEBYXUUIQRWIX-MRXNPFEDSA-N 1 0 319.445 3.027 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cnc(C)s2)c1O ZINC000879251154 624465152 /nfs/dbraw/zinc/46/51/52/624465152.db2.gz GAYWTGCOFZHLMH-MRVPVSSYSA-N 1 0 308.378 3.350 20 10 DGCDRO Fc1cc(C[NH2+]C[C@H]2CCCCS2)ccc1N1CCOCC1 ZINC000784615436 624558939 /nfs/dbraw/zinc/55/89/39/624558939.db2.gz HWLNZWFEHGDIBS-OAHLLOKOSA-N 1 0 324.465 3.038 20 10 DGCDRO CS[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000784625515 624560226 /nfs/dbraw/zinc/56/02/26/624560226.db2.gz GEAWYGQNTSJODN-KRWDZBQOSA-N 1 0 322.518 3.391 20 10 DGCDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000784626351 624561652 /nfs/dbraw/zinc/56/16/52/624561652.db2.gz QVZYKNJZBFBETM-SFHVURJKSA-N 1 0 309.409 3.277 20 10 DGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1c(O)cccc1OC)CC2 ZINC000784680214 624571067 /nfs/dbraw/zinc/57/10/67/624571067.db2.gz QAOORDQUXHRIRV-UHFFFAOYSA-N 1 0 313.397 3.010 20 10 DGCDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648601 624621057 /nfs/dbraw/zinc/62/10/57/624621057.db2.gz VRJUHOXNCRRVID-OLZOCXBDSA-N 1 0 314.385 3.079 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N1c2ccccc2C[C@@H]1C ZINC000879648720 624621285 /nfs/dbraw/zinc/62/12/85/624621285.db2.gz ASEAHWLHCRWWMA-RRFJBIMHSA-N 1 0 324.424 3.409 20 10 DGCDRO CC(C)N(C(=O)C[NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000879647441 624621527 /nfs/dbraw/zinc/62/15/27/624621527.db2.gz CJAXQROUOKCSKR-OAHLLOKOSA-N 1 0 312.413 3.484 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000879650080 624622495 /nfs/dbraw/zinc/62/24/95/624622495.db2.gz ZXCQMSJMXKTYFX-LXTVHRRPSA-N 1 0 304.434 3.221 20 10 DGCDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651704 624624135 /nfs/dbraw/zinc/62/41/35/624624135.db2.gz IAAKAYJHRGNITA-HOTGVXAUSA-N 1 0 315.413 3.100 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccccc1O ZINC000879651347 624624232 /nfs/dbraw/zinc/62/42/32/624624232.db2.gz RRZVNLWXYBDNPS-YCPHGPKFSA-N 1 0 304.434 3.080 20 10 DGCDRO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)c1ccccc1O ZINC000879650983 624624242 /nfs/dbraw/zinc/62/42/42/624624242.db2.gz BRKDCHWABNZWGH-NSHDSACASA-N 1 0 303.358 3.185 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1O ZINC000879653957 624626660 /nfs/dbraw/zinc/62/66/60/624626660.db2.gz ZAFJIQYJEYZTQL-UXLLHSPISA-N 1 0 316.445 3.224 20 10 DGCDRO c1cc(N2CCSCC2)ccc1C[NH2+]C[C@H]1CCSC1 ZINC000785426722 624665009 /nfs/dbraw/zinc/66/50/09/624665009.db2.gz RNACQLMBRRCDDI-OAHLLOKOSA-N 1 0 308.516 3.083 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000785446768 624667474 /nfs/dbraw/zinc/66/74/74/624667474.db2.gz UUYLKABKEUIOOM-AWEZNQCLSA-N 1 0 306.475 3.007 20 10 DGCDRO CCOC(CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)OCC ZINC000786971690 624968759 /nfs/dbraw/zinc/96/87/59/624968759.db2.gz XRUYYUXVAWTDDA-DGCLKSJQSA-N 1 0 311.397 3.458 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c(O)c1 ZINC000788509760 625202771 /nfs/dbraw/zinc/20/27/71/625202771.db2.gz ZRPNMYALFTVWBU-SJORKVTESA-N 1 0 320.477 3.016 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3nccc4occc43)cc2)CC1 ZINC000882880255 625841897 /nfs/dbraw/zinc/84/18/97/625841897.db2.gz JYKQBMPBXMOSGV-UHFFFAOYSA-N 1 0 322.412 3.192 20 10 DGCDRO C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882892050 625848623 /nfs/dbraw/zinc/84/86/23/625848623.db2.gz LOMGWNCDFOTICL-ZDUSSCGKSA-N 1 0 312.404 3.272 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC000792194873 625923712 /nfs/dbraw/zinc/92/37/12/625923712.db2.gz AUCWMCXVOOFDEF-UHFFFAOYSA-N 1 0 305.418 3.217 20 10 DGCDRO CC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796287571 626035579 /nfs/dbraw/zinc/03/55/79/626035579.db2.gz LZEDXTYBNQJIIV-NRFANRHFSA-N 1 0 324.468 3.500 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000796306963 626037094 /nfs/dbraw/zinc/03/70/94/626037094.db2.gz ZHWFGWSNEWZVFP-OAQYLSRUSA-N 1 0 322.452 3.110 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)c2ccc(CC)cc2)c1 ZINC000796451872 626051200 /nfs/dbraw/zinc/05/12/00/626051200.db2.gz PWYSHDMJSNRDGQ-IBGZPJMESA-N 1 0 315.413 3.177 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000796452881 626051737 /nfs/dbraw/zinc/05/17/37/626051737.db2.gz ZYHSMLPDVBGREA-QGZVFWFLSA-N 1 0 305.805 3.431 20 10 DGCDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000796526967 626058824 /nfs/dbraw/zinc/05/88/24/626058824.db2.gz UKYDGPCYHUJSCB-UKRRQHHQSA-N 1 0 303.406 3.473 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000797063256 626109839 /nfs/dbraw/zinc/10/98/39/626109839.db2.gz AWIFBLGOGRXKME-DVOMOZLQSA-N 1 0 324.465 3.064 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(CC)CC)cc2)C1 ZINC000798089292 626193247 /nfs/dbraw/zinc/19/32/47/626193247.db2.gz OIHBCFAVZKBYNL-SJORKVTESA-N 1 0 318.461 3.354 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000798089182 626193502 /nfs/dbraw/zinc/19/35/02/626193502.db2.gz LIYSCECLRMOJDO-RISCZKNCSA-N 1 0 311.809 3.175 20 10 DGCDRO O=c1ccccn1C[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000800313234 626350809 /nfs/dbraw/zinc/35/08/09/626350809.db2.gz IYNJFINSBGZLPB-SFHVURJKSA-N 1 0 320.392 3.085 20 10 DGCDRO CC(C)COCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000800356772 626353714 /nfs/dbraw/zinc/35/37/14/626353714.db2.gz WQIUCQKYLNCCKO-KRWDZBQOSA-N 1 0 307.434 3.046 20 10 DGCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000800858363 626379696 /nfs/dbraw/zinc/37/96/96/626379696.db2.gz MAOKPTVAYYGWEF-HNNXBMFYSA-N 1 0 322.412 3.054 20 10 DGCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000800896450 626383402 /nfs/dbraw/zinc/38/34/02/626383402.db2.gz JYDXBWPDMWWWBY-KRWDZBQOSA-N 1 0 305.805 3.486 20 10 DGCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000800898128 626383942 /nfs/dbraw/zinc/38/39/42/626383942.db2.gz RZDKHDYEVZCLPS-KRWDZBQOSA-N 1 0 305.805 3.486 20 10 DGCDRO CCCC[N@H+](CC(=O)NC1CCCCC1)Cc1ccccc1O ZINC000801595633 626411377 /nfs/dbraw/zinc/41/13/77/626411377.db2.gz GRKTUCCUOHAQIR-UHFFFAOYSA-N 1 0 318.461 3.443 20 10 DGCDRO CCCC[N@H+](CCCc1cnn(C)c1)Cc1ccccc1O ZINC000801594908 626411450 /nfs/dbraw/zinc/41/14/50/626411450.db2.gz CZGJYRIWZHXVKX-UHFFFAOYSA-N 1 0 301.434 3.361 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccccc2O)c(-c2ccnn2C)c1 ZINC000801719484 626415787 /nfs/dbraw/zinc/41/57/87/626415787.db2.gz AYCIEOIVXNLKIR-UHFFFAOYSA-N 1 0 307.397 3.391 20 10 DGCDRO CCOc1cccc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c1O ZINC000801732827 626416504 /nfs/dbraw/zinc/41/65/04/626416504.db2.gz YMWYVHYSPCQQFS-ZIAGYGMSSA-N 1 0 307.434 3.474 20 10 DGCDRO CCOc1ccc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000801732787 626416508 /nfs/dbraw/zinc/41/65/08/626416508.db2.gz WYDJULALHVTQLO-KBPBESRZSA-N 1 0 307.434 3.474 20 10 DGCDRO CCOc1cccc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c1O ZINC000801732825 626416611 /nfs/dbraw/zinc/41/66/11/626416611.db2.gz YMWYVHYSPCQQFS-KBPBESRZSA-N 1 0 307.434 3.474 20 10 DGCDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2O)C1 ZINC000802654631 626565321 /nfs/dbraw/zinc/56/53/21/626565321.db2.gz LINYREBCODODSX-GOSISDBHSA-N 1 0 320.433 3.129 20 10 DGCDRO CC1(C)CCc2onc(CNCc3cc(F)cc(F)c3[O-])c2C1 ZINC000883203935 626607361 /nfs/dbraw/zinc/60/73/61/626607361.db2.gz OVGLNFHVSFZPGO-UHFFFAOYSA-N 1 0 322.355 3.463 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC3(CC4CC4)CC3)cc2)CC1 ZINC000883248338 626623236 /nfs/dbraw/zinc/62/32/36/626623236.db2.gz PREDJZUDCFEILV-UHFFFAOYSA-N 1 0 314.473 3.318 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000883263375 626628508 /nfs/dbraw/zinc/62/85/08/626628508.db2.gz QYUOVTOINKLNMH-HOTGVXAUSA-N 1 0 319.445 3.327 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000883263377 626628869 /nfs/dbraw/zinc/62/88/69/626628869.db2.gz QYUOVTOINKLNMH-JKSUJKDBSA-N 1 0 319.445 3.327 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cc(Cl)ccc1O ZINC000883276672 626633962 /nfs/dbraw/zinc/63/39/62/626633962.db2.gz OFTZHWPENKSWJQ-AAEUAGOBSA-N 1 0 309.793 3.140 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000883288427 626637534 /nfs/dbraw/zinc/63/75/34/626637534.db2.gz DWKGCJUMOSVFFN-OAHLLOKOSA-N 1 0 315.486 3.351 20 10 DGCDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000883319534 626645678 /nfs/dbraw/zinc/64/56/78/626645678.db2.gz FUYZCUMFYCQPPT-FOGDFJRCSA-N 1 0 314.223 3.230 20 10 DGCDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806133189 626701136 /nfs/dbraw/zinc/70/11/36/626701136.db2.gz IVNMGARXLRTJGY-PBHICJAKSA-N 1 0 306.425 3.065 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)c2c1c(F)ccc2O ZINC000806167703 626703648 /nfs/dbraw/zinc/70/36/48/626703648.db2.gz GFLUYATTWWXVJS-BJJXKVORSA-N 1 0 315.388 3.273 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Cl)ccc1O ZINC000806178052 626704789 /nfs/dbraw/zinc/70/47/89/626704789.db2.gz BOJVCXYMZDXXFO-XJKSGUPXSA-N 1 0 320.820 3.257 20 10 DGCDRO COCC[N@@H+](Cc1cc(Br)ccc1O)CC(C)C ZINC000132648442 626732347 /nfs/dbraw/zinc/73/23/47/626732347.db2.gz FIANFFHWEHSNJS-UHFFFAOYSA-N 1 0 316.239 3.259 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000840095846 626758019 /nfs/dbraw/zinc/75/80/19/626758019.db2.gz JFWSTRYPDSNXQW-MOPGFXCFSA-N 1 0 310.397 3.084 20 10 DGCDRO COC[C@@]1(C)CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000840105953 626763735 /nfs/dbraw/zinc/76/37/35/626763735.db2.gz HAKLUFXLEMRKKR-IBGZPJMESA-N 1 0 315.413 3.412 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)CCC2 ZINC000840117931 626770232 /nfs/dbraw/zinc/77/02/32/626770232.db2.gz CKBSOATVDBTAGZ-KURKYZTESA-N 1 0 301.430 3.006 20 10 DGCDRO Fc1cc(C[NH2+]CCC2(F)CCC2)ccc1N1CCOCC1 ZINC000808427336 626823245 /nfs/dbraw/zinc/82/32/45/626823245.db2.gz OEXMZDLEBKRQBS-UHFFFAOYSA-N 1 0 310.388 3.034 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000808452611 626826940 /nfs/dbraw/zinc/82/69/40/626826940.db2.gz MLUGUNGOJAMEMI-CQSZACIVSA-N 1 0 307.752 3.278 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)c1O ZINC000808674006 626847877 /nfs/dbraw/zinc/84/78/77/626847877.db2.gz MGANXQHQHDIYON-IAQYHMDHSA-N 1 0 318.804 3.231 20 10 DGCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808702204 626851195 /nfs/dbraw/zinc/85/11/95/626851195.db2.gz CPPIMRDUHSCWAZ-YPMHNXCESA-N 1 0 310.825 3.016 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)c1O ZINC000808706795 626851504 /nfs/dbraw/zinc/85/15/04/626851504.db2.gz VCDXELMWIKGAAT-ADWYPQAOSA-N 1 0 303.855 3.162 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000808705356 626851650 /nfs/dbraw/zinc/85/16/50/626851650.db2.gz FIXBVLFDVZZJLW-NSHDSACASA-N 1 0 312.841 3.309 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000808708569 626852634 /nfs/dbraw/zinc/85/26/34/626852634.db2.gz NHHFOJZAXVZSFM-PRHODGIISA-N 1 0 311.731 3.318 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1O ZINC000808717177 626852936 /nfs/dbraw/zinc/85/29/36/626852936.db2.gz ATYFXBJVALOUQN-OCCSQVGLSA-N 1 0 320.820 3.176 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)c2ccccc2)C2CC2)cc1 ZINC000134065668 626853199 /nfs/dbraw/zinc/85/31/99/626853199.db2.gz RFKRUBOQFCMALL-FQEVSTJZSA-N 1 0 310.441 3.451 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1O ZINC000808717176 626853262 /nfs/dbraw/zinc/85/32/62/626853262.db2.gz ATYFXBJVALOUQN-JSGCOSHPSA-N 1 0 320.820 3.176 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c(O)c1 ZINC000808729426 626855077 /nfs/dbraw/zinc/85/50/77/626855077.db2.gz JOCFFKFSUHESMU-WFASDCNBSA-N 1 0 301.361 3.494 20 10 DGCDRO COc1ccc(Br)c(C[NH2+]Cc2ccccc2O)c1 ZINC000134230085 626865729 /nfs/dbraw/zinc/86/57/29/626865729.db2.gz NXDAWVPHRBIZGH-UHFFFAOYSA-N 1 0 322.202 3.453 20 10 DGCDRO Cc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1C ZINC000840148742 626867981 /nfs/dbraw/zinc/86/79/81/626867981.db2.gz VKOPPWDKJRQYBV-GOSISDBHSA-N 1 0 313.397 3.067 20 10 DGCDRO O[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809538881 626917285 /nfs/dbraw/zinc/91/72/85/626917285.db2.gz UWPGBYFXAIZRMY-FQEVSTJZSA-N 1 0 322.452 3.206 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1 ZINC000809700561 626938435 /nfs/dbraw/zinc/93/84/35/626938435.db2.gz JCHCAWHNDHMRSM-ZBFHGGJFSA-N 1 0 307.434 3.306 20 10 DGCDRO Fc1cc(C[NH+]2CCC3(CCC3)CC2)ccc1N1CCOCC1 ZINC000809707194 626939190 /nfs/dbraw/zinc/93/91/90/626939190.db2.gz RYXHCCKDCUFFTC-UHFFFAOYSA-N 1 0 318.436 3.428 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)cc1C ZINC000809708480 626939889 /nfs/dbraw/zinc/93/98/89/626939889.db2.gz CWFHBSPBKDDEAF-INIZCTEOSA-N 1 0 320.433 3.062 20 10 DGCDRO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)ccc1O ZINC000809712918 626940089 /nfs/dbraw/zinc/94/00/89/626940089.db2.gz AZHOHMPNRCNYIY-UHFFFAOYSA-N 1 0 324.852 3.270 20 10 DGCDRO CCCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000809716542 626940467 /nfs/dbraw/zinc/94/04/67/626940467.db2.gz WMGPRTCHLSXOBA-AWEZNQCLSA-N 1 0 312.841 3.018 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)CCCN(C)Cc2ccco2)c1 ZINC000809717895 626940486 /nfs/dbraw/zinc/94/04/86/626940486.db2.gz CDEKZRRQBFSTAV-UHFFFAOYSA-N 1 0 302.418 3.248 20 10 DGCDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000809720427 626941006 /nfs/dbraw/zinc/94/10/06/626941006.db2.gz GGWLIAPEULRGQV-HNNXBMFYSA-N 1 0 324.396 3.020 20 10 DGCDRO C[NH+](C)CCN(Cc1ccccc1)Cc1cc(F)ccc1O ZINC000809728022 626942527 /nfs/dbraw/zinc/94/25/27/626942527.db2.gz HZMYZDMVUZANBP-UHFFFAOYSA-N 1 0 302.393 3.095 20 10 DGCDRO Cc1cccc(CN(CC[NH+](C)C)Cc2ccc(F)cc2)c1O ZINC000809736507 626943481 /nfs/dbraw/zinc/94/34/81/626943481.db2.gz XVJRXDMWRZYNFQ-UHFFFAOYSA-N 1 0 316.420 3.404 20 10 DGCDRO C[NH+](C)CCN(Cc1ccccn1)Cc1cc(Cl)ccc1O ZINC000809740785 626944640 /nfs/dbraw/zinc/94/46/40/626944640.db2.gz IHFFDNJTVSHXFG-UHFFFAOYSA-N 1 0 319.836 3.004 20 10 DGCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000809778730 626951134 /nfs/dbraw/zinc/95/11/34/626951134.db2.gz VIHJKLXAOVOYQS-CQSZACIVSA-N 1 0 324.852 3.092 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cncn1C)c1ccc(C(F)(F)F)cc1O ZINC000810243644 626991831 /nfs/dbraw/zinc/99/18/31/626991831.db2.gz SJBIXBIZJHQUGX-CYBMUJFWSA-N 1 0 313.323 3.385 20 10 DGCDRO COC(=O)c1cnc(SC[C@@H]2CCCC[N@@H+]2C(C)C)s1 ZINC000840209764 627046462 /nfs/dbraw/zinc/04/64/62/627046462.db2.gz BIGOZQICMYYBPS-NSHDSACASA-N 1 0 314.476 3.285 20 10 DGCDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000136825171 627103733 /nfs/dbraw/zinc/10/37/33/627103733.db2.gz KXVHPJKKOAEFOO-SJLPKXTDSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cc1C ZINC000886340935 627140112 /nfs/dbraw/zinc/14/01/12/627140112.db2.gz NHNKGEKVRGSDAW-WXSAJPJJSA-N 1 0 319.445 3.066 20 10 DGCDRO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1c([O-])cccc1F ZINC000886641244 627178483 /nfs/dbraw/zinc/17/84/83/627178483.db2.gz DMCLSEIDKWFIFX-MRVPVSSYSA-N 1 0 317.286 3.134 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1ccc2ccccc2c1O ZINC000886669863 627185197 /nfs/dbraw/zinc/18/51/97/627185197.db2.gz FVKXRYBHWVHPAB-CWRNSKLLSA-N 1 0 315.413 3.126 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ncccn3)C2)ccc1N(C)C ZINC000886688550 627190258 /nfs/dbraw/zinc/19/02/58/627190258.db2.gz VCVHKGHCEZNJTO-KRWDZBQOSA-N 1 0 310.445 3.231 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(N(C)C)cc1 ZINC000886761980 627200653 /nfs/dbraw/zinc/20/06/53/627200653.db2.gz OJPOHXDGMJDQBL-VVWQDTPRSA-N 1 0 318.461 3.130 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1)c1ccc(C)cc1O ZINC000886766892 627202100 /nfs/dbraw/zinc/20/21/00/627202100.db2.gz UEIAXASVZSZDGY-YEWFCNIMSA-N 1 0 319.445 3.468 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c1 ZINC000886764669 627202130 /nfs/dbraw/zinc/20/21/30/627202130.db2.gz YBNQQCIFBCUFQV-XSWJXKHESA-N 1 0 305.418 3.078 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1cc(F)ccc1O ZINC000886771438 627202938 /nfs/dbraw/zinc/20/29/38/627202938.db2.gz HWRHXCCJGPXAGR-BPTYRPCHSA-N 1 0 323.408 3.155 20 10 DGCDRO CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000886787571 627204762 /nfs/dbraw/zinc/20/47/62/627204762.db2.gz YFYJVRAXUFVFOF-WDSOQIARSA-N 1 0 320.477 3.235 20 10 DGCDRO CC[C@@]1(C[NH2+]Cc2cc(F)ccc2O)OCCc2ccccc21 ZINC000811509935 627284434 /nfs/dbraw/zinc/28/44/34/627284434.db2.gz MQDYSFMITJQNOG-IBGZPJMESA-N 1 0 315.388 3.499 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000811510346 627285259 /nfs/dbraw/zinc/28/52/59/627285259.db2.gz CWLZGXJRXRSPDZ-IAGOWNOFSA-N 1 0 305.418 3.180 20 10 DGCDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000811517673 627286314 /nfs/dbraw/zinc/28/63/14/627286314.db2.gz YWZZYKPWJNGQNO-MNOVXSKESA-N 1 0 304.356 3.284 20 10 DGCDRO Cc1cccc2c(NCCc3ccc(O)c(O)c3)c(C)c[nH+]c12 ZINC000811811130 627324663 /nfs/dbraw/zinc/32/46/63/627324663.db2.gz MJHRLYYPDGXWIG-UHFFFAOYSA-N 1 0 308.381 3.339 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@](C)(OC)C3CC3)CC2)cc1 ZINC000812735060 627413897 /nfs/dbraw/zinc/41/38/97/627413897.db2.gz VKYNVLFKUMXWPV-LJQANCHMSA-N 1 0 318.461 3.069 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(N(C)C)cc1 ZINC000812736347 627414056 /nfs/dbraw/zinc/41/40/56/627414056.db2.gz BCIZOMVSSTUYMP-CQSZACIVSA-N 1 0 308.429 3.490 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1 ZINC000812736808 627414558 /nfs/dbraw/zinc/41/45/58/627414558.db2.gz CXBUOVHJSGTNGM-GFCCVEGCSA-N 1 0 311.385 3.138 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000813792316 627512018 /nfs/dbraw/zinc/51/20/18/627512018.db2.gz WATSOKZSDASAGT-INIZCTEOSA-N 1 0 313.420 3.260 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000814138675 627544285 /nfs/dbraw/zinc/54/42/85/627544285.db2.gz ZOAJLVABPDGQCJ-LBPRGKRZSA-N 1 0 319.474 3.083 20 10 DGCDRO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000814178064 627547355 /nfs/dbraw/zinc/54/73/55/627547355.db2.gz ANMMWXKADZESPJ-CYBMUJFWSA-N 1 0 318.367 3.381 20 10 DGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815070933 627621925 /nfs/dbraw/zinc/62/19/25/627621925.db2.gz APJVSZIONUVRRC-APWZRJJASA-N 1 0 303.494 3.223 20 10 DGCDRO Cc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1N(C)C ZINC000815118516 627630106 /nfs/dbraw/zinc/63/01/06/627630106.db2.gz WLGSIQPCIATWAS-AEFFLSMTSA-N 1 0 301.478 3.120 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)ccc1N(C)C ZINC000815121338 627630738 /nfs/dbraw/zinc/63/07/38/627630738.db2.gz KYIZKHFHVICDHM-LJQANCHMSA-N 1 0 312.457 3.096 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000815121219 627630758 /nfs/dbraw/zinc/63/07/58/627630758.db2.gz SSAYZIDPBZKWAE-GOSISDBHSA-N 1 0 302.462 3.391 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2conc2Cc2ccccc2)c1 ZINC000815126560 627632515 /nfs/dbraw/zinc/63/25/15/627632515.db2.gz NWADXSZOCNGGMF-UHFFFAOYSA-N 1 0 324.380 3.269 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(O)c1 ZINC000815571877 627686116 /nfs/dbraw/zinc/68/61/16/627686116.db2.gz PEMQXWDXPRAWDY-OLZOCXBDSA-N 1 0 316.367 3.296 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCCCC2=O)c(O)c1 ZINC000815577132 627686254 /nfs/dbraw/zinc/68/62/54/627686254.db2.gz HFBCTPJBHPFCQF-OAHLLOKOSA-N 1 0 304.434 3.062 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)c(O)c1 ZINC000815571529 627686415 /nfs/dbraw/zinc/68/64/15/627686415.db2.gz GGYGGMULZPYWHX-ZDUSSCGKSA-N 1 0 312.404 3.389 20 10 DGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)C1CC1 ZINC000815651477 627694634 /nfs/dbraw/zinc/69/46/34/627694634.db2.gz UUPQBWOZSCTOCF-LKFCYVNXSA-N 1 0 314.223 3.230 20 10 DGCDRO C[C@@H]([NH3+])[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000925529695 627748368 /nfs/dbraw/zinc/74/83/68/627748368.db2.gz LLSSURDRPBCGAR-ACJLOTCBSA-N 1 0 301.409 3.070 20 10 DGCDRO Oc1c(C[NH2+]Cc2cn3ccccc3n2)ccc2ccccc21 ZINC000816529724 627803524 /nfs/dbraw/zinc/80/35/24/627803524.db2.gz FKTNPEWLITWJSQ-UHFFFAOYSA-N 1 0 303.365 3.483 20 10 DGCDRO OCc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1F ZINC000816538831 627803968 /nfs/dbraw/zinc/80/39/68/627803968.db2.gz IUVUGJDKTFRNMV-UHFFFAOYSA-N 1 0 311.356 3.467 20 10 DGCDRO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C[NH+]1CCCCC1 ZINC000816536799 627804538 /nfs/dbraw/zinc/80/45/38/627804538.db2.gz KIQLLZAMDCYZNO-GFCCVEGCSA-N 1 0 314.832 3.396 20 10 DGCDRO C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816554813 627806617 /nfs/dbraw/zinc/80/66/17/627806617.db2.gz JRVSQAMWKUHYON-RYUDHWBXSA-N 1 0 300.805 3.147 20 10 DGCDRO CC[C@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1ccccc1O ZINC000925853367 627806658 /nfs/dbraw/zinc/80/66/58/627806658.db2.gz INULGCWVLYLHKD-JSGCOSHPSA-N 1 0 302.340 3.117 20 10 DGCDRO OCc1ccc(CC[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816560162 627808273 /nfs/dbraw/zinc/80/82/73/627808273.db2.gz GQWAGXQJKVXRRH-UHFFFAOYSA-N 1 0 307.393 3.370 20 10 DGCDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816608376 627814159 /nfs/dbraw/zinc/81/41/59/627814159.db2.gz XTMIMCKNJYQVIK-UHFFFAOYSA-N 1 0 301.386 3.224 20 10 DGCDRO Oc1c(C[NH+]2CC(O)(c3ccccc3)C2)ccc2ccccc21 ZINC000816613935 627815458 /nfs/dbraw/zinc/81/54/58/627815458.db2.gz ITJKOTJDZAZFJE-UHFFFAOYSA-N 1 0 305.377 3.249 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1O ZINC000816667290 627823802 /nfs/dbraw/zinc/82/38/02/627823802.db2.gz IZJNXFJKCJTHPR-INIZCTEOSA-N 1 0 305.418 3.182 20 10 DGCDRO CC1([NH+]2CCCC2)CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000926141013 627850284 /nfs/dbraw/zinc/85/02/84/627850284.db2.gz CUFLJBIZYZQCRO-UHFFFAOYSA-N 1 0 316.449 3.187 20 10 DGCDRO C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000817416213 627896928 /nfs/dbraw/zinc/89/69/28/627896928.db2.gz ROBDCZNCGGNGML-UHFFFAOYSA-N 1 0 300.805 3.147 20 10 DGCDRO CCOCc1cc(C[NH2+]CCCC2(O)CCC2)ccc1OC ZINC000817414360 627897034 /nfs/dbraw/zinc/89/70/34/627897034.db2.gz IKSUHFKZGFVTSY-UHFFFAOYSA-N 1 0 307.434 3.017 20 10 DGCDRO CC(C)n1cc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2O)nn1 ZINC000817420181 627897728 /nfs/dbraw/zinc/89/77/28/627897728.db2.gz PCUATRHPRBLITO-UHFFFAOYSA-N 1 0 308.813 3.243 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000817419648 627897739 /nfs/dbraw/zinc/89/77/39/627897739.db2.gz VQKXQLINIAYUAE-YZTRRJNXSA-N 1 0 302.462 3.250 20 10 DGCDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1=O ZINC000817590052 627927303 /nfs/dbraw/zinc/92/73/03/627927303.db2.gz SQRUIRPQUPUFMO-QWHCGFSZSA-N 1 0 324.852 3.263 20 10 DGCDRO CCCN1C[C@H](C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1=O ZINC000817590051 627927453 /nfs/dbraw/zinc/92/74/53/627927453.db2.gz SQRUIRPQUPUFMO-OLZOCXBDSA-N 1 0 324.852 3.263 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000926681292 627931898 /nfs/dbraw/zinc/93/18/98/627931898.db2.gz XUCZJTZTFSHEOS-HILARFPUSA-N 1 0 318.486 3.290 20 10 DGCDRO CN1CCCc2cc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)ccc21 ZINC000817900034 627955912 /nfs/dbraw/zinc/95/59/12/627955912.db2.gz JSTQKOPMTQWSJL-RBUKOAKNSA-N 1 0 307.441 3.303 20 10 DGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000817938252 627966294 /nfs/dbraw/zinc/96/62/94/627966294.db2.gz HMQFERYQQXLXLG-KPZWWZAWSA-N 1 0 319.399 3.381 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000817938530 627966635 /nfs/dbraw/zinc/96/66/35/627966635.db2.gz MMOZDKDCAJXQLR-UXHICEINSA-N 1 0 309.457 3.420 20 10 DGCDRO CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817937305 627966682 /nfs/dbraw/zinc/96/66/82/627966682.db2.gz WGHCPYABENYWAY-GFCCVEGCSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000817938792 627967815 /nfs/dbraw/zinc/96/78/15/627967815.db2.gz SLMGXSZXBPVSCA-FZKQIMNGSA-N 1 0 301.409 3.242 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(C)n1 ZINC000817941144 627968932 /nfs/dbraw/zinc/96/89/32/627968932.db2.gz JDWNRLQWZKQWGG-KUHUBIRLSA-N 1 0 312.461 3.115 20 10 DGCDRO C[C@@H](CSC(C)(C)C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817944039 627969354 /nfs/dbraw/zinc/96/93/54/627969354.db2.gz WZPYLNDFRNLWJP-BBRMVZONSA-N 1 0 309.523 3.262 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1O ZINC000817942305 627969396 /nfs/dbraw/zinc/96/93/96/627969396.db2.gz NZNYXLPMOJJQBB-ZWKOTPCHSA-N 1 0 313.445 3.199 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000817942704 627969467 /nfs/dbraw/zinc/96/94/67/627969467.db2.gz QGSOGGMWIRASIH-SFHVURJKSA-N 1 0 301.478 3.311 20 10 DGCDRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(N2CCCCC2)cc1 ZINC000817945850 627970696 /nfs/dbraw/zinc/97/06/96/627970696.db2.gz NINLLWDPKPRFBX-AEFFLSMTSA-N 1 0 301.478 3.470 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952637 627972602 /nfs/dbraw/zinc/97/26/02/627972602.db2.gz RYNBLUBQXZHACU-SKDRFNHKSA-N 1 0 303.233 3.492 20 10 DGCDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000817955611 627974315 /nfs/dbraw/zinc/97/43/15/627974315.db2.gz CQVZQTMKBXXXNY-CYBMUJFWSA-N 1 0 300.402 3.179 20 10 DGCDRO C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817959863 627975628 /nfs/dbraw/zinc/97/56/28/627975628.db2.gz JSBXDQTZNBWJAZ-DNVCBOLYSA-N 1 0 301.478 3.455 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1[O-] ZINC000817969739 627978469 /nfs/dbraw/zinc/97/84/69/627978469.db2.gz ZBLOJKWNRWOGPM-KRWDZBQOSA-N 1 0 300.377 3.375 20 10 DGCDRO C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968367 627979076 /nfs/dbraw/zinc/97/90/76/627979076.db2.gz QRWWJSMLMUOAQP-VIFPVBQESA-N 1 0 301.217 3.269 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817981212 627982460 /nfs/dbraw/zinc/98/24/60/627982460.db2.gz HFFVWXZZIIRSRZ-DCAQKATOSA-N 1 0 302.340 3.189 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2c1c(F)ccc2O ZINC000926937550 627985146 /nfs/dbraw/zinc/98/51/46/627985146.db2.gz PDXLWPUOIXBVMF-DKBOKBLXSA-N 1 0 303.377 3.260 20 10 DGCDRO Cc1cc(C(=O)NC(C)(C)CC[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000818020985 627987564 /nfs/dbraw/zinc/98/75/64/627987564.db2.gz NBYQBFHTMBOKIW-UHFFFAOYSA-N 1 0 317.408 3.090 20 10 DGCDRO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc2ccccc2c1O ZINC000926999829 627994590 /nfs/dbraw/zinc/99/45/90/627994590.db2.gz DYDQMJURKFTPIQ-CYBMUJFWSA-N 1 0 313.397 3.349 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccncc3)C2)cc1 ZINC000818115749 627997180 /nfs/dbraw/zinc/99/71/80/627997180.db2.gz CKOGOACPBLAUBU-CVEARBPZSA-N 1 0 311.429 3.267 20 10 DGCDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000927014496 627997520 /nfs/dbraw/zinc/99/75/20/627997520.db2.gz CGXVKACOGDICPE-CMPLNLGQSA-N 1 0 316.239 3.356 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H](OC)C3)C2)cc1 ZINC000818222434 628006566 /nfs/dbraw/zinc/00/65/66/628006566.db2.gz SQAJBBSEQZVDHL-MDZRGWNJSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]CC3(OC)CCCC3)C2)cc1 ZINC000818221088 628006623 /nfs/dbraw/zinc/00/66/23/628006623.db2.gz LFGRDQBTSSHLNQ-INIZCTEOSA-N 1 0 318.461 3.070 20 10 DGCDRO CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000818221423 628006714 /nfs/dbraw/zinc/00/67/14/628006714.db2.gz MEGJNXNJSZOEFG-SOLBZPMBSA-N 1 0 318.461 3.069 20 10 DGCDRO OC[C@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000927148992 628027112 /nfs/dbraw/zinc/02/71/12/628027112.db2.gz WLHZELPKWCVODX-ZHALLVOQSA-N 1 0 311.425 3.427 20 10 DGCDRO Nc1ccc(CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000818545265 628033650 /nfs/dbraw/zinc/03/36/50/628033650.db2.gz TYVYMWKAVJDGKM-GOSISDBHSA-N 1 0 317.477 3.005 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000818616050 628043528 /nfs/dbraw/zinc/04/35/28/628043528.db2.gz SVJOUVFLSYWSJL-OASPWFOLSA-N 1 0 302.340 3.332 20 10 DGCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)C3CC3)cc2Cl)C1 ZINC000819290784 628127914 /nfs/dbraw/zinc/12/79/14/628127914.db2.gz MHXMYVLCGQSGBV-ACJLOTCBSA-N 1 0 322.880 3.437 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c1O ZINC000822480723 628456481 /nfs/dbraw/zinc/45/64/81/628456481.db2.gz FBBKLAWHNFTDLB-UHFFFAOYSA-N 1 0 323.295 3.012 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)cc1OC ZINC000822498242 628458217 /nfs/dbraw/zinc/45/82/17/628458217.db2.gz WSXIQGNXQSXWSW-ZWKOTPCHSA-N 1 0 317.360 3.136 20 10 DGCDRO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1cc(F)ccc1O)CC1CC1 ZINC000822504537 628458656 /nfs/dbraw/zinc/45/86/56/628458656.db2.gz UKMNHETXJDAOKE-KRWDZBQOSA-N 1 0 309.381 3.085 20 10 DGCDRO CCOc1cccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1O ZINC000822516779 628459772 /nfs/dbraw/zinc/45/97/72/628459772.db2.gz PSRGGNGYAHAQLS-LJQANCHMSA-N 1 0 315.413 3.130 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000822530373 628462137 /nfs/dbraw/zinc/46/21/37/628462137.db2.gz ZAPVLGYGRUJVHP-SFHVURJKSA-N 1 0 301.430 3.482 20 10 DGCDRO CCn1nnc(C)c1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000823404319 628557429 /nfs/dbraw/zinc/55/74/29/628557429.db2.gz OWLXNTYHDHVWIH-UHFFFAOYSA-N 1 0 315.465 3.083 20 10 DGCDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000823730361 628591267 /nfs/dbraw/zinc/59/12/67/628591267.db2.gz VHYUNNCTZFGDRD-SZVBFZGTSA-N 1 0 318.461 3.131 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)Cc1ccccc1 ZINC000824589450 628674739 /nfs/dbraw/zinc/67/47/39/628674739.db2.gz CWKUHYIMQOZGCJ-MRXNPFEDSA-N 1 0 305.805 3.393 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)[C@@H](O)C(F)F ZINC000824635028 628679180 /nfs/dbraw/zinc/67/91/80/628679180.db2.gz DWYNPTPOGVZDRT-UKRRQHHQSA-N 1 0 318.383 3.166 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000824643914 628679910 /nfs/dbraw/zinc/67/99/10/628679910.db2.gz LZYMVCFFVSJKSN-UONOGXRCSA-N 1 0 322.449 3.400 20 10 DGCDRO CCC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000824650798 628680314 /nfs/dbraw/zinc/68/03/14/628680314.db2.gz QVVIKUINAYUOPX-UHFFFAOYSA-N 1 0 306.425 3.475 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000824696312 628684878 /nfs/dbraw/zinc/68/48/78/628684878.db2.gz KXJURFRMTFENJT-GVDBMIGSSA-N 1 0 319.445 3.306 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(O)c1 ZINC000824695987 628684929 /nfs/dbraw/zinc/68/49/29/628684929.db2.gz GAICKJIQYSVATA-RCCFBDPRSA-N 1 0 319.445 3.306 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F ZINC000824715100 628686386 /nfs/dbraw/zinc/68/63/86/628686386.db2.gz HQNLEOBRZORQCM-QGPMSJSTSA-N 1 0 306.425 3.017 20 10 DGCDRO CC[C@@](C)(C[NH2+]Cc1cc(Br)cc(C)c1O)OC ZINC000824743541 628688880 /nfs/dbraw/zinc/68/88/80/628688880.db2.gz FVFZKAZFTIUNNK-AWEZNQCLSA-N 1 0 316.239 3.368 20 10 DGCDRO CC[C@](C)(C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000824743641 628688947 /nfs/dbraw/zinc/68/89/47/628688947.db2.gz KASKMAFBWKAGOH-GOSISDBHSA-N 1 0 306.450 3.069 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c(O)c1 ZINC000824766351 628691785 /nfs/dbraw/zinc/69/17/85/628691785.db2.gz UHARIFWADVOMIY-ZDUSSCGKSA-N 1 0 304.217 3.464 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@](C)(OC)c2ccccc2)c(O)c1 ZINC000824780459 628692793 /nfs/dbraw/zinc/69/27/93/628692793.db2.gz PUODJRWSEVQDFF-LJQANCHMSA-N 1 0 315.413 3.442 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1O ZINC000824845741 628699363 /nfs/dbraw/zinc/69/93/63/628699363.db2.gz NJVHYYTVHXADHQ-HOTGVXAUSA-N 1 0 309.837 3.241 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1Cl ZINC000824913669 628705823 /nfs/dbraw/zinc/70/58/23/628705823.db2.gz WJNMTBBIVIGFEZ-ZDUSSCGKSA-N 1 0 319.836 3.152 20 10 DGCDRO C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000824913813 628705847 /nfs/dbraw/zinc/70/58/47/628705847.db2.gz GGPZAWNILYTHGB-UHFFFAOYSA-N 1 0 302.821 3.395 20 10 DGCDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000824920211 628706857 /nfs/dbraw/zinc/70/68/57/628706857.db2.gz HYDMPWAVUUGECR-DYVFJYSZSA-N 1 0 321.461 3.291 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](C)O ZINC000824921296 628707050 /nfs/dbraw/zinc/70/70/50/628707050.db2.gz IMBIGHRKHQFONS-YGRLFVJLSA-N 1 0 304.356 3.020 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@H](C)O ZINC000824922235 628707126 /nfs/dbraw/zinc/70/71/26/628707126.db2.gz YJCAYKQJYYWYDK-KSSFIOAISA-N 1 0 315.413 3.220 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCN2CCCCCC2=O)cc1Cl ZINC000825059324 628723056 /nfs/dbraw/zinc/72/30/56/628723056.db2.gz WJSLUMDGSLFWOT-UHFFFAOYSA-N 1 0 324.852 3.236 20 10 DGCDRO CCc1ncc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000825079449 628725817 /nfs/dbraw/zinc/72/58/17/628725817.db2.gz ULZWMRUENNVHDM-UHFFFAOYSA-N 1 0 315.417 3.004 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1Cl ZINC000825096845 628726764 /nfs/dbraw/zinc/72/67/64/628726764.db2.gz LCRDRQICAVLIKV-AWEZNQCLSA-N 1 0 317.820 3.100 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1Cl ZINC000825096846 628726962 /nfs/dbraw/zinc/72/69/62/628726962.db2.gz LCRDRQICAVLIKV-CQSZACIVSA-N 1 0 317.820 3.100 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)[C@H](OC)C2CC2)ccc1OC ZINC000825098205 628727585 /nfs/dbraw/zinc/72/75/85/628727585.db2.gz CVASZTPKWONYPU-ACJLOTCBSA-N 1 0 307.434 3.135 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)ccc1OC ZINC000825098207 628727681 /nfs/dbraw/zinc/72/76/81/628727681.db2.gz CVASZTPKWONYPU-SCLBCKFNSA-N 1 0 307.434 3.135 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCOCC(F)(F)F)cc1Cl ZINC000825102005 628727812 /nfs/dbraw/zinc/72/78/12/628727812.db2.gz JKVYPSJHNUJYQZ-UHFFFAOYSA-N 1 0 311.731 3.413 20 10 DGCDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825103829 628727921 /nfs/dbraw/zinc/72/79/21/628727921.db2.gz IROPUHJVNSUYFZ-RDTXWAMCSA-N 1 0 316.470 3.340 20 10 DGCDRO CCOc1cccc(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1O ZINC000825104255 628728357 /nfs/dbraw/zinc/72/83/57/628728357.db2.gz SCXGJLZVQBKGLU-CVEARBPZSA-N 1 0 305.418 3.180 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000825112249 628729482 /nfs/dbraw/zinc/72/94/82/628729482.db2.gz SBWOMBOFXNDGJA-LSDHHAIUSA-N 1 0 324.424 3.157 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124153 628730379 /nfs/dbraw/zinc/73/03/79/628730379.db2.gz IVXCEYURVVDXKL-ZANVPECISA-N 1 0 323.742 3.099 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124151 628730531 /nfs/dbraw/zinc/73/05/31/628730531.db2.gz IVXCEYURVVDXKL-RNCFNFMXSA-N 1 0 323.742 3.099 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CCO)C2CCSCC2)cc1 ZINC000825129732 628730960 /nfs/dbraw/zinc/73/09/60/628730960.db2.gz BXNXBRWUPZYCHB-UHFFFAOYSA-N 1 0 322.518 3.223 20 10 DGCDRO Cc1cc(Cl)cc(C[N@H+](CCO)C2CCSCC2)c1O ZINC000825133736 628731209 /nfs/dbraw/zinc/73/12/09/628731209.db2.gz MHVVAYSKSOCUDP-UHFFFAOYSA-N 1 0 315.866 3.044 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCC[C@@H]3CCOC3)CC2)cc1 ZINC000825144422 628732077 /nfs/dbraw/zinc/73/20/77/628732077.db2.gz NBBGVQSWOUMBJW-MRXNPFEDSA-N 1 0 318.461 3.070 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2nccn2C(F)F)cc1Cl ZINC000825156346 628733779 /nfs/dbraw/zinc/73/37/79/628733779.db2.gz UDTOGNDFYCPFTA-UHFFFAOYSA-N 1 0 301.724 3.235 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C2CCC2)c(C(F)(F)F)c1 ZINC000825240925 628740896 /nfs/dbraw/zinc/74/08/96/628740896.db2.gz RKIZFHBMZXBRGQ-OAHLLOKOSA-N 1 0 316.367 3.022 20 10 DGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000825284714 628746929 /nfs/dbraw/zinc/74/69/29/628746929.db2.gz ZROTWWVEXGRBLM-RTBURBONSA-N 1 0 318.461 3.211 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)cc1Cl ZINC000825291291 628747104 /nfs/dbraw/zinc/74/71/04/628747104.db2.gz IQVQMOZQRVWABZ-JSGCOSHPSA-N 1 0 324.852 3.091 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1Cl ZINC000825291278 628747289 /nfs/dbraw/zinc/74/72/89/628747289.db2.gz HUFMBJWAPMXVJG-OAHLLOKOSA-N 1 0 311.834 3.413 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccncc1 ZINC000825325787 628749898 /nfs/dbraw/zinc/74/98/98/628749898.db2.gz JVIRRTUZTMEZQR-LLVKDONJSA-N 1 0 321.218 3.443 20 10 DGCDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000825405865 628758032 /nfs/dbraw/zinc/75/80/32/628758032.db2.gz LFSWKKRXGOFWPS-SMDDNHRTSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1Cl ZINC000825405064 628758088 /nfs/dbraw/zinc/75/80/88/628758088.db2.gz BVOIBBLWXYPIBO-CYBMUJFWSA-N 1 0 311.809 3.129 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1Cl ZINC000825556336 628773282 /nfs/dbraw/zinc/77/32/82/628773282.db2.gz QEFZWQVYICWSQZ-NSHDSACASA-N 1 0 312.841 3.089 20 10 DGCDRO CO[C@H](CC[NH2+]Cc1cc(Cl)c(C)cc1O)C(F)(F)F ZINC000825651442 628782000 /nfs/dbraw/zinc/78/20/00/628782000.db2.gz IRELGAHFXJVIJJ-GFCCVEGCSA-N 1 0 311.731 3.411 20 10 DGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Cl)c(C)cc1O ZINC000825884778 628806658 /nfs/dbraw/zinc/80/66/58/628806658.db2.gz ACRVPAVFBXWUFS-WQZURDFPSA-N 1 0 307.821 3.209 20 10 DGCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825892678 628808090 /nfs/dbraw/zinc/80/80/90/628808090.db2.gz GQLPDJBXKRSSQQ-CQSZACIVSA-N 1 0 324.852 3.235 20 10 DGCDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000826043697 628822816 /nfs/dbraw/zinc/82/28/16/628822816.db2.gz OQWIBBJQYDQVLY-SUMWQHHRSA-N 1 0 321.461 3.291 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826123355 628830102 /nfs/dbraw/zinc/83/01/02/628830102.db2.gz LHEQONBVCLSFCI-ZIAGYGMSSA-N 1 0 321.461 3.291 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CS[C@H](C(C)C)C3)C2)cc1 ZINC000826845870 628894306 /nfs/dbraw/zinc/89/43/06/628894306.db2.gz MNWHOEJFRVBRFD-MPGHIAIKSA-N 1 0 320.502 3.394 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c1O ZINC000826869033 628897351 /nfs/dbraw/zinc/89/73/51/628897351.db2.gz ZLBDPEYVBQXNLU-ZDUSSCGKSA-N 1 0 312.841 3.017 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1O ZINC000826911317 628903088 /nfs/dbraw/zinc/90/30/88/628903088.db2.gz VZINFLUQIXLRMH-LAPQFRIASA-N 1 0 315.866 3.133 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1O ZINC000827319228 628948877 /nfs/dbraw/zinc/94/88/77/628948877.db2.gz AZSXDYXHQLVDQF-FUHWJXTLSA-N 1 0 313.445 3.189 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1O ZINC000827319230 628948890 /nfs/dbraw/zinc/94/88/90/628948890.db2.gz AZSXDYXHQLVDQF-SJLPKXTDSA-N 1 0 313.445 3.189 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H](CO)C2)ccc1N1CCCCC1 ZINC000827354386 628952401 /nfs/dbraw/zinc/95/24/01/628952401.db2.gz OXLIRXXPMMGJOM-SFHVURJKSA-N 1 0 302.462 3.190 20 10 DGCDRO CCCC[N@H+](CC(N)=O)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827424550 628957834 /nfs/dbraw/zinc/95/78/34/628957834.db2.gz DBHMDBDNDKNEQX-UHFFFAOYSA-N 1 0 317.477 3.073 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)c(F)c1 ZINC000827526186 628967780 /nfs/dbraw/zinc/96/77/80/628967780.db2.gz JBRCWOFKDXVZOJ-UHFFFAOYSA-N 1 0 317.360 3.225 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000827544515 628969355 /nfs/dbraw/zinc/96/93/55/628969355.db2.gz CZURLGSGTUYROR-INIZCTEOSA-N 1 0 312.413 3.112 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]1(C)CO ZINC000827700876 628983964 /nfs/dbraw/zinc/98/39/64/628983964.db2.gz YPRWVDPRDQMREG-APWZRJJASA-N 1 0 302.462 3.127 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000827844761 628996269 /nfs/dbraw/zinc/99/62/69/628996269.db2.gz NUWLPOQBHWCLLN-UHFFFAOYSA-N 1 0 308.853 3.257 20 10 DGCDRO CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)[NH+]1CCCCC1 ZINC000827930618 629004665 /nfs/dbraw/zinc/00/46/65/629004665.db2.gz MVHCLIRBAHRDBD-PBHICJAKSA-N 1 0 304.434 3.080 20 10 DGCDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2ccccc2O)o1 ZINC000827977917 629010494 /nfs/dbraw/zinc/01/04/94/629010494.db2.gz CFBVVZMAEBFQJX-ZDUSSCGKSA-N 1 0 316.401 3.318 20 10 DGCDRO CCN(CC)c1ccc(CN2CCCc3n[nH]cc3C2)cc1F ZINC000828013997 629014678 /nfs/dbraw/zinc/01/46/78/629014678.db2.gz QJUXIFZCXPDWDZ-UHFFFAOYSA-N 1 0 316.424 3.343 20 10 DGCDRO Cc1cc(C[N@H+]2CCOC[C@@H](C)C2)ccc1N1CCCCC1 ZINC000828487533 629058740 /nfs/dbraw/zinc/05/87/40/629058740.db2.gz IVFHNGZDGHQRRO-INIZCTEOSA-N 1 0 302.462 3.454 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1O ZINC000828554959 629067267 /nfs/dbraw/zinc/06/72/67/629067267.db2.gz INVVUMKCAGJONS-MJGOQNOKSA-N 1 0 302.462 3.188 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c1 ZINC000828681884 629082267 /nfs/dbraw/zinc/08/22/67/629082267.db2.gz HKAHINNRLDDOKV-NJSLBKSFSA-N 1 0 315.413 3.216 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](CCO)C(C)C)ccc1N1CCCCC1 ZINC000828803006 629094769 /nfs/dbraw/zinc/09/47/69/629094769.db2.gz ZSJGXVWNXBFGCM-SFHVURJKSA-N 1 0 304.478 3.482 20 10 DGCDRO Cc1cc(C[N@H+](CCO)C2CCC2)ccc1N1CCCCC1 ZINC000829113678 629131744 /nfs/dbraw/zinc/13/17/44/629131744.db2.gz MHDIPGPFAYUWJJ-UHFFFAOYSA-N 1 0 302.462 3.332 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)ccc1N1CCCCC1 ZINC000829244340 629144160 /nfs/dbraw/zinc/14/41/60/629144160.db2.gz WMUBNPZUFKRKBX-SJLPKXTDSA-N 1 0 302.462 3.500 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](O)C2(C)C)ccc1N1CCCCC1 ZINC000829974070 629214189 /nfs/dbraw/zinc/21/41/89/629214189.db2.gz VPBZKDVHCKRJAP-SFHVURJKSA-N 1 0 302.462 3.331 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](SC)C3)cc2)CC1 ZINC000830888995 629316193 /nfs/dbraw/zinc/31/61/93/629316193.db2.gz LJHJRLUNWOPLFV-SFHVURJKSA-N 1 0 320.502 3.239 20 10 DGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCc2ccccc2C1 ZINC000834538700 629723708 /nfs/dbraw/zinc/72/37/08/629723708.db2.gz WBKXQNZRNULWBF-HNAYVOBHSA-N 1 0 322.452 3.416 20 10 DGCDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000834575971 629732498 /nfs/dbraw/zinc/73/24/98/629732498.db2.gz QPEYPWICVPEWBN-KRWDZBQOSA-N 1 0 324.472 3.434 20 10 DGCDRO Cn1c2ccc(F)cc2nc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834654543 629748462 /nfs/dbraw/zinc/74/84/62/629748462.db2.gz OZIQRULYOBEMNS-CYBMUJFWSA-N 1 0 311.360 3.195 20 10 DGCDRO Cc1noc(C2CCC([NH2+][C@H]3CCc4cccc(O)c43)CC2)n1 ZINC000834676563 629755217 /nfs/dbraw/zinc/75/52/17/629755217.db2.gz WGPBKGNAGMGPLP-NRXISQOPSA-N 1 0 313.401 3.387 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000834906427 629804582 /nfs/dbraw/zinc/80/45/82/629804582.db2.gz QPBHQLGDMGEDKQ-KXBFYZLASA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1cc(Br)ccc1O ZINC000834906245 629804806 /nfs/dbraw/zinc/80/48/06/629804806.db2.gz YQBWXXXJQZJRDR-TVQRCGJNSA-N 1 0 314.223 3.230 20 10 DGCDRO Cc1cnc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000834908692 629806124 /nfs/dbraw/zinc/80/61/24/629806124.db2.gz LGYCYWDQSMMROV-QMTHXVAHSA-N 1 0 301.365 3.010 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1O ZINC000834914558 629807503 /nfs/dbraw/zinc/80/75/03/629807503.db2.gz NVVZAMHDIXHAIK-OASPWFOLSA-N 1 0 314.223 3.027 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc(Br)ccc1O ZINC000834915202 629807683 /nfs/dbraw/zinc/80/76/83/629807683.db2.gz PAUSEWDTMXMLIE-CKYFFXLPSA-N 1 0 314.223 3.373 20 10 DGCDRO CCC(C)(C)OCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000834915651 629807983 /nfs/dbraw/zinc/80/79/83/629807983.db2.gz SSNJOKBKDIJNNP-UHFFFAOYSA-N 1 0 320.477 3.459 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(Br)cc1O ZINC000834915700 629808250 /nfs/dbraw/zinc/80/82/50/629808250.db2.gz SAKSKZRZLNNRLQ-FOGDFJRCSA-N 1 0 314.223 3.373 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000835024878 629828286 /nfs/dbraw/zinc/82/82/86/629828286.db2.gz AHSGZNBZIYEMFR-JXTAAOLFSA-N 1 0 324.472 3.379 20 10 DGCDRO C[C@@H]1C[C@H]([N@H+](C)C/C=C/c2ccc(N(C)C)cc2)CCN1C ZINC000835026368 629828292 /nfs/dbraw/zinc/82/82/92/629828292.db2.gz RYKOAQRJASQUJP-HVMFBIMJSA-N 1 0 301.478 3.180 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000835026122 629828349 /nfs/dbraw/zinc/82/83/49/629828349.db2.gz QALLTNPEDYRDFJ-RCFWFJCLSA-N 1 0 310.445 3.369 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000835029565 629828906 /nfs/dbraw/zinc/82/89/06/629828906.db2.gz RKSWMYYAVUROTM-DUVWHUSGSA-N 1 0 300.446 3.267 20 10 DGCDRO CCCNC(=O)C[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCC ZINC000835027279 629829390 /nfs/dbraw/zinc/82/93/90/629829390.db2.gz JWESUIULQDCYLO-FPLPWBNLSA-N 1 0 317.477 3.004 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000835029828 629829676 /nfs/dbraw/zinc/82/96/76/629829676.db2.gz SXJHTZKMTOTFSC-LYSGITKLSA-N 1 0 322.452 3.358 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000835029685 629829758 /nfs/dbraw/zinc/82/97/58/629829758.db2.gz VWCZYYSPNWGCKM-UYLIBMQOSA-N 1 0 300.446 3.124 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(CO)c(F)c2)cc1 ZINC000835036063 629830409 /nfs/dbraw/zinc/83/04/09/629830409.db2.gz JHRIEXIYSRLXLH-ONEGZZNKSA-N 1 0 314.404 3.187 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](CO)Cc2ccccc2)cc1 ZINC000835035160 629830564 /nfs/dbraw/zinc/83/05/64/629830564.db2.gz HSHMJSUDVBHHFT-AQDCRGGLSA-N 1 0 324.468 3.207 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000835036386 629830582 /nfs/dbraw/zinc/83/05/82/629830582.db2.gz PBGNKMOZLPTHEP-QWNKOJSDSA-N 1 0 310.445 3.167 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)c2cccc(F)c2)cc1 ZINC000835038625 629831466 /nfs/dbraw/zinc/83/14/66/629831466.db2.gz BZTQTIZFAVOTBC-VZSQWMKGSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000835040094 629831735 /nfs/dbraw/zinc/83/17/35/629831735.db2.gz OAVBVNXYSSCFAL-NQVSYGGRSA-N 1 0 300.446 3.169 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]2(C)CCCC[C@@H]2O)cc1 ZINC000835041882 629833118 /nfs/dbraw/zinc/83/31/18/629833118.db2.gz FPNRTMYOPZRERB-FNYRVFDFSA-N 1 0 302.462 3.297 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000835044389 629833831 /nfs/dbraw/zinc/83/38/31/629833831.db2.gz ZKEATWMGWUGNCX-BGEOSOQGSA-N 1 0 308.425 3.014 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCc2nccs2)cc1 ZINC000835045077 629834029 /nfs/dbraw/zinc/83/40/29/629834029.db2.gz RSQZTKONBGGGRB-HWKANZROSA-N 1 0 301.459 3.445 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000835046717 629834806 /nfs/dbraw/zinc/83/48/06/629834806.db2.gz MGROWFYTGGKNDS-JFZXIXNHSA-N 1 0 300.446 3.313 20 10 DGCDRO COC(=O)C1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCCC1 ZINC000835048292 629835778 /nfs/dbraw/zinc/83/57/78/629835778.db2.gz PSWTYNSMCMRODJ-VOTSOKGWSA-N 1 0 316.445 3.089 20 10 DGCDRO COC(=O)[C@H](C)N(C/C=C\c1ccc(N(C)C)cc1)C1CCC1 ZINC000835050366 629836447 /nfs/dbraw/zinc/83/64/47/629836447.db2.gz PHCQPIFTIOLXCE-XHPSBEMXSA-N 1 0 316.445 3.182 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000835049456 629836649 /nfs/dbraw/zinc/83/66/49/629836649.db2.gz DSKPVESOQAQKSV-FBQMEGEOSA-N 1 0 324.468 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CCO)Cc2ccccc2)cc1 ZINC000835052632 629837709 /nfs/dbraw/zinc/83/77/09/629837709.db2.gz POMASNLZMWJQDP-NSDNCLLMSA-N 1 0 324.468 3.349 20 10 DGCDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054459 629838542 /nfs/dbraw/zinc/83/85/42/629838542.db2.gz VTHZOHJBQCIHMV-VAQJZUQRSA-N 1 0 301.478 3.038 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000835054900 629838934 /nfs/dbraw/zinc/83/89/34/629838934.db2.gz MYRQVTMJTXGGFD-UABKOXTMSA-N 1 0 300.446 3.268 20 10 DGCDRO CC(C)[C@@]1(CO)CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835055485 629839014 /nfs/dbraw/zinc/83/90/14/629839014.db2.gz KUFCJMFMNXZPHG-BPJPHKDRSA-N 1 0 316.489 3.496 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1 ZINC000835054326 629839030 /nfs/dbraw/zinc/83/90/30/629839030.db2.gz KCNXQAMVDBVMRD-WIJVFFIESA-N 1 0 300.446 3.123 20 10 DGCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1cccc(C)c1O)C2 ZINC000835068892 629842801 /nfs/dbraw/zinc/84/28/01/629842801.db2.gz JYYHGTGPATYVND-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000840818050 630362363 /nfs/dbraw/zinc/36/23/63/630362363.db2.gz GIEFTOGEIWLNRF-SKWUIDRYSA-N 1 0 300.446 3.362 20 10 DGCDRO COCC[C@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000840837818 630364577 /nfs/dbraw/zinc/36/45/77/630364577.db2.gz VUPCCWUWVJVZPK-QWRGUYRKSA-N 1 0 316.239 3.478 20 10 DGCDRO C[C@@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1ccccc1O ZINC000840862784 630369086 /nfs/dbraw/zinc/36/90/86/630369086.db2.gz IEXGTHVADSGDEB-UKRRQHHQSA-N 1 0 314.385 3.163 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c(Cl)c1 ZINC000840873418 630370351 /nfs/dbraw/zinc/37/03/51/630370351.db2.gz AZDMYVMGNUBVLF-ZDUSSCGKSA-N 1 0 317.820 3.100 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N(C)C)nc2)c(Cl)c1 ZINC000840877447 630370552 /nfs/dbraw/zinc/37/05/52/630370552.db2.gz GTUARWPORZIKGF-UHFFFAOYSA-N 1 0 305.809 3.105 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000840892565 630373827 /nfs/dbraw/zinc/37/38/27/630373827.db2.gz BANNPEGDYXNGQR-JZXOWHBKSA-N 1 0 303.494 3.064 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000840893521 630373840 /nfs/dbraw/zinc/37/38/40/630373840.db2.gz KHSBBZAMPSWITN-YESZJQIVSA-N 1 0 304.478 3.397 20 10 DGCDRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893333 630373853 /nfs/dbraw/zinc/37/38/53/630373853.db2.gz ITNQUYXYZCIIDQ-KBPBESRZSA-N 1 0 300.450 3.374 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1 ZINC000840892791 630373856 /nfs/dbraw/zinc/37/38/56/630373856.db2.gz DEYZJTAKCSDNMA-AYBZRNKSSA-N 1 0 304.478 3.397 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000840892662 630373913 /nfs/dbraw/zinc/37/39/13/630373913.db2.gz BWXKOLOGXKHLFU-BQFCYCMXSA-N 1 0 304.478 3.397 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000840893561 630373933 /nfs/dbraw/zinc/37/39/33/630373933.db2.gz LLJQKYUDALDNRL-INIZCTEOSA-N 1 0 315.505 3.208 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)o1 ZINC000840899404 630374524 /nfs/dbraw/zinc/37/45/24/630374524.db2.gz WHCVZFJCAYXWHU-UHFFFAOYSA-N 1 0 309.749 3.023 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(c3c[nH]cn3)CC2)c(Cl)c1 ZINC000840915098 630377219 /nfs/dbraw/zinc/37/72/19/630377219.db2.gz JZHHLPFDLUKJBY-UHFFFAOYSA-N 1 0 305.809 3.457 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000840937129 630380481 /nfs/dbraw/zinc/38/04/81/630380481.db2.gz HWEZEORQJVZLKC-MOPGFXCFSA-N 1 0 302.462 3.356 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000840961458 630387071 /nfs/dbraw/zinc/38/70/71/630387071.db2.gz BFRFRBUHNBRJAW-CYBMUJFWSA-N 1 0 309.768 3.050 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1O ZINC000840968608 630388289 /nfs/dbraw/zinc/38/82/89/630388289.db2.gz ATEUXVZXDPJICD-SFHVURJKSA-N 1 0 319.445 3.428 20 10 DGCDRO COc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1O ZINC000840971129 630388618 /nfs/dbraw/zinc/38/86/18/630388618.db2.gz UFCXXYFIDWRFFX-KRWDZBQOSA-N 1 0 305.418 3.038 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000840974952 630389366 /nfs/dbraw/zinc/38/93/66/630389366.db2.gz AECCZTMUJFUNGN-INIZCTEOSA-N 1 0 322.456 3.430 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cc(F)ncc1F ZINC000840975082 630389604 /nfs/dbraw/zinc/38/96/04/630389604.db2.gz CNTROTOYMAALSA-CYBMUJFWSA-N 1 0 319.399 3.455 20 10 DGCDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000840978129 630390004 /nfs/dbraw/zinc/39/00/04/630390004.db2.gz LKEMROZDUMYQNJ-AEFFLSMTSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000840978326 630390186 /nfs/dbraw/zinc/39/01/86/630390186.db2.gz NGXDMAVGDRHCHG-CVEARBPZSA-N 1 0 307.434 3.473 20 10 DGCDRO CCCC[C@H](CN)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000841028660 630397981 /nfs/dbraw/zinc/39/79/81/630397981.db2.gz GHUFQUMGHDKAIZ-CYBMUJFWSA-N 1 0 315.255 3.070 20 10 DGCDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841041751 630400684 /nfs/dbraw/zinc/40/06/84/630400684.db2.gz BHCCLTBHSFSHTQ-OXJNMPFZSA-N 1 0 311.473 3.282 20 10 DGCDRO C[C@@H](C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000841046060 630401778 /nfs/dbraw/zinc/40/17/78/630401778.db2.gz VKGYTXBKICKYAK-UZLBHIALSA-N 1 0 311.473 3.221 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2NCCc3ccccc32)cc1 ZINC000841067729 630404269 /nfs/dbraw/zinc/40/42/69/630404269.db2.gz PHEVXLQWQUPJGF-YAQIIAKESA-N 1 0 321.468 3.242 20 10 DGCDRO C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000841296485 630424193 /nfs/dbraw/zinc/42/41/93/630424193.db2.gz TYOCZXLGGGSNRC-KBPBESRZSA-N 1 0 316.449 3.043 20 10 DGCDRO Nc1ccc(NC(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000841300580 630424932 /nfs/dbraw/zinc/42/49/32/630424932.db2.gz SFVMBQQSNWDNMI-UHFFFAOYSA-N 1 0 304.438 3.047 20 10 DGCDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N)cc1)CC(C)C ZINC000841302204 630425633 /nfs/dbraw/zinc/42/56/33/630425633.db2.gz OXAWHXLCMHWCLI-INIZCTEOSA-N 1 0 306.454 3.147 20 10 DGCDRO Nc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000841302302 630425674 /nfs/dbraw/zinc/42/56/74/630425674.db2.gz SDIGOEPMGZXKME-UHFFFAOYSA-N 1 0 324.428 3.186 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000841303989 630425878 /nfs/dbraw/zinc/42/58/78/630425878.db2.gz FYICWEGDSMEKMW-UHFFFAOYSA-N 1 0 313.401 3.295 20 10 DGCDRO C[C@H](NC(=O)Nc1cccc(C[NH3+])c1)c1ccc(N(C)C)cc1 ZINC000841304163 630426067 /nfs/dbraw/zinc/42/60/67/630426067.db2.gz NDHGPBBSKBIJFC-ZDUSSCGKSA-N 1 0 312.417 3.094 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841752865 630462546 /nfs/dbraw/zinc/46/25/46/630462546.db2.gz QKQZANNTWGLDGV-SNVBAGLBSA-N 1 0 319.792 3.250 20 10 DGCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)cc1O ZINC000841759693 630462772 /nfs/dbraw/zinc/46/27/72/630462772.db2.gz PJHDAKUMMHNIFG-POJUEXTFSA-N 1 0 303.789 3.355 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)c(O)c1 ZINC000841761118 630462916 /nfs/dbraw/zinc/46/29/16/630462916.db2.gz DJGYDYNWNIRFHW-OAHLLOKOSA-N 1 0 321.461 3.227 20 10 DGCDRO CC[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccccc1O ZINC000841763741 630463441 /nfs/dbraw/zinc/46/34/41/630463441.db2.gz QMQBTLRABMVKTA-OAHLLOKOSA-N 1 0 307.434 3.001 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O ZINC000841765674 630463741 /nfs/dbraw/zinc/46/37/41/630463741.db2.gz UXQSCQWHNJHJNM-AAEUAGOBSA-N 1 0 318.795 3.426 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2COCc3ccccc32)c1O ZINC000841891770 630473710 /nfs/dbraw/zinc/47/37/10/630473710.db2.gz UOFNLSXWOIMLIA-HNNXBMFYSA-N 1 0 319.788 3.415 20 10 DGCDRO FC(F)CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000841893456 630473965 /nfs/dbraw/zinc/47/39/65/630473965.db2.gz FHTBQVHLTNELAR-INIZCTEOSA-N 1 0 323.431 3.106 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(O)cc1C ZINC000842613587 630553372 /nfs/dbraw/zinc/55/33/72/630553372.db2.gz CXLUGZLLEHOIGS-GDBMZVCRSA-N 1 0 305.418 3.100 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000842726231 630568108 /nfs/dbraw/zinc/56/81/08/630568108.db2.gz DDNSJVNIXJRAEH-GFCCVEGCSA-N 1 0 317.410 3.044 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c2c1c(F)ccc2O ZINC000842885795 630589780 /nfs/dbraw/zinc/58/97/80/630589780.db2.gz PIFZSSQSHLQTEG-RAIGVLPGSA-N 1 0 320.408 3.069 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843044784 630607513 /nfs/dbraw/zinc/60/75/13/630607513.db2.gz JFTAFKNSBIQHNR-ICSRJNTNSA-N 1 0 315.505 3.497 20 10 DGCDRO COc1cccc(CN2CCCc3cc(C[NH3+])ccc32)c1OC ZINC000843057419 630609279 /nfs/dbraw/zinc/60/92/79/630609279.db2.gz LKFQIZXCVQJNTL-UHFFFAOYSA-N 1 0 312.413 3.115 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc(-c2ccccc2)n[nH]1 ZINC000843057340 630609350 /nfs/dbraw/zinc/60/93/50/630609350.db2.gz CIRPMOJRAGMPEF-UHFFFAOYSA-N 1 0 318.424 3.488 20 10 DGCDRO Cc1nc2ccccn2c1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058031 630609998 /nfs/dbraw/zinc/60/99/98/630609998.db2.gz LRWGRSDWUUHMCF-UHFFFAOYSA-N 1 0 306.413 3.054 20 10 DGCDRO Cc1cc(O)c(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(Cl)c1 ZINC000843113777 630615318 /nfs/dbraw/zinc/61/53/18/630615318.db2.gz CYIRCNSNQCESKJ-WMLDXEAASA-N 1 0 316.832 3.281 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843124626 630616046 /nfs/dbraw/zinc/61/60/46/630616046.db2.gz DQDSIGPUJYVFNU-NWDGAFQWSA-N 1 0 312.816 3.006 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843349785 630648851 /nfs/dbraw/zinc/64/88/51/630648851.db2.gz CHOPSDHFACPXMJ-UHFFFAOYSA-N 1 0 315.348 3.145 20 10 DGCDRO Nc1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000843356394 630649663 /nfs/dbraw/zinc/64/96/63/630649663.db2.gz MVNGRJVADRQZSH-GOSISDBHSA-N 1 0 312.413 3.156 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843417992 630654500 /nfs/dbraw/zinc/65/45/00/630654500.db2.gz YJFYDSZGKYXYKD-IEBWSBKVSA-N 1 0 302.462 3.452 20 10 DGCDRO COc1cc(O)c(C[NH2+]C2(c3ccccc3C)CC2)cc1OC ZINC000843419271 630655051 /nfs/dbraw/zinc/65/50/51/630655051.db2.gz RWYDKPMKEIPDEW-UHFFFAOYSA-N 1 0 313.397 3.497 20 10 DGCDRO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2ccccc2O)CC1 ZINC000843428826 630657772 /nfs/dbraw/zinc/65/77/72/630657772.db2.gz OOBUNJWCCMBSNX-UHFFFAOYSA-N 1 0 305.418 3.336 20 10 DGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(N(C)C)c(F)c1)CCOCC2 ZINC000843431542 630658092 /nfs/dbraw/zinc/65/80/92/630658092.db2.gz GXTDZPNTSKJQHY-CQSZACIVSA-N 1 0 306.425 3.283 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CO1 ZINC000843432174 630658292 /nfs/dbraw/zinc/65/82/92/630658292.db2.gz IRVGHLPEKCGYSC-RHSMWYFYSA-N 1 0 313.397 3.238 20 10 DGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[NH2+]C1CC1 ZINC000843486481 630661824 /nfs/dbraw/zinc/66/18/24/630661824.db2.gz UDNJIEGBPQWQEP-OAHLLOKOSA-N 1 0 324.424 3.234 20 10 DGCDRO CC[NH2+]CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843483557 630661986 /nfs/dbraw/zinc/66/19/86/630661986.db2.gz DPJJDGLBKVSWIR-OAHLLOKOSA-N 1 0 312.413 3.092 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC(C)C)ccn2)c1 ZINC000844311978 630718205 /nfs/dbraw/zinc/71/82/05/630718205.db2.gz HNJUNSICEPQQIH-ZDUSSCGKSA-N 1 0 316.401 3.434 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCc2csc(C)n2)cc1 ZINC000844402109 630724950 /nfs/dbraw/zinc/72/49/50/630724950.db2.gz UYHUWMYHXOHXQC-UHFFFAOYSA-N 1 0 319.474 3.071 20 10 DGCDRO CCn1cc(C[N@H+](Cc2cc(OC)c(C)cc2O)C(C)C)cn1 ZINC000844737985 630822573 /nfs/dbraw/zinc/82/25/73/630822573.db2.gz VFROHURQZFKLRP-UHFFFAOYSA-N 1 0 317.433 3.336 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000844911979 630977272 /nfs/dbraw/zinc/97/72/72/630977272.db2.gz QMFXELWNVAOWAU-MRXNPFEDSA-N 1 0 300.377 3.438 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000846015540 631206027 /nfs/dbraw/zinc/20/60/27/631206027.db2.gz OGXOLZJOKKQDPK-UHFFFAOYSA-N 1 0 319.298 3.267 20 10 DGCDRO OC[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCc2ccccc21 ZINC000846011773 631206029 /nfs/dbraw/zinc/20/60/29/631206029.db2.gz POVNTSZBKUOGOV-GOSISDBHSA-N 1 0 317.816 3.012 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c(O)c1 ZINC000846016913 631206219 /nfs/dbraw/zinc/20/62/19/631206219.db2.gz KLAPLTPHOSVILZ-KZULUSFZSA-N 1 0 319.376 3.142 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1F ZINC000846017948 631206324 /nfs/dbraw/zinc/20/63/24/631206324.db2.gz RIMPFWQBVWTVPK-MGPLVRAMSA-N 1 0 309.768 3.396 20 10 DGCDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000846016802 631206388 /nfs/dbraw/zinc/20/63/88/631206388.db2.gz JTCOTISKRLTAQO-GWCFXTLKSA-N 1 0 316.239 3.041 20 10 DGCDRO C[C@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1F ZINC000846017949 631206419 /nfs/dbraw/zinc/20/64/19/631206419.db2.gz RIMPFWQBVWTVPK-QFYYESIMSA-N 1 0 309.768 3.396 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c1O ZINC000846034700 631207277 /nfs/dbraw/zinc/20/72/77/631207277.db2.gz BMZPQCRJGIPVOV-KUHUBIRLSA-N 1 0 315.413 3.177 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C2CC2)C2CCOCC2)c1 ZINC000846042767 631207935 /nfs/dbraw/zinc/20/79/35/631207935.db2.gz PIKOAFFOQASHNC-GOSISDBHSA-N 1 0 305.418 3.086 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846045216 631208056 /nfs/dbraw/zinc/20/80/56/631208056.db2.gz VUZKLNJIIIEARD-LJQANCHMSA-N 1 0 302.462 3.356 20 10 DGCDRO CC(C)(C)c1ncc(C[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000846055857 631208699 /nfs/dbraw/zinc/20/86/99/631208699.db2.gz QKMOJFCIJLUWPS-UHFFFAOYSA-N 1 0 305.809 3.423 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1O ZINC000846058813 631208782 /nfs/dbraw/zinc/20/87/82/631208782.db2.gz UNIHAHJIQQBAPR-UHFFFAOYSA-N 1 0 307.777 3.440 20 10 DGCDRO CCN1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000846092928 631209246 /nfs/dbraw/zinc/20/92/46/631209246.db2.gz KOICKMPFKJEHQQ-OAHLLOKOSA-N 1 0 324.424 3.017 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CO)CCF)c1ccc(C(F)(F)F)cc1O ZINC000846096654 631209317 /nfs/dbraw/zinc/20/93/17/631209317.db2.gz JMIANYDKOJHBAU-CMPLNLGQSA-N 1 0 309.303 3.172 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccccc1O ZINC000846123674 631210975 /nfs/dbraw/zinc/21/09/75/631210975.db2.gz UDCFAJPLLQQNJE-HOTGVXAUSA-N 1 0 312.413 3.209 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1O ZINC000846135562 631211395 /nfs/dbraw/zinc/21/13/95/631211395.db2.gz DOUFKHRVIWGLGL-LBPRGKRZSA-N 1 0 315.369 3.023 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1O ZINC000846136061 631211433 /nfs/dbraw/zinc/21/14/33/631211433.db2.gz HRXWOYDXHVBXLM-NHYWBVRUSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCN(C)c2ccccc2)c1O ZINC000846137300 631211448 /nfs/dbraw/zinc/21/14/48/631211448.db2.gz DIUISVNVFNMHMB-CQSZACIVSA-N 1 0 300.402 3.188 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1O ZINC000846144979 631211772 /nfs/dbraw/zinc/21/17/72/631211772.db2.gz IXXUFSUTMNONSQ-OUENDJJVSA-N 1 0 305.418 3.255 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccc(F)cc2)c1O ZINC000846144621 631211785 /nfs/dbraw/zinc/21/17/85/631211785.db2.gz MQKNBTBDCJWQCS-LBPRGKRZSA-N 1 0 305.349 3.270 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c1O ZINC000846144104 631211794 /nfs/dbraw/zinc/21/17/94/631211794.db2.gz IAOWNYMYTMNREJ-CYBMUJFWSA-N 1 0 311.385 3.208 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1O ZINC000846146947 631212066 /nfs/dbraw/zinc/21/20/66/631212066.db2.gz SYKQNQUHPWQDLP-HOCLYGCPSA-N 1 0 315.413 3.218 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccc(Cl)cn2)c1O ZINC000846152422 631212255 /nfs/dbraw/zinc/21/22/55/631212255.db2.gz AUPOTLRKDDOQAG-LLVKDONJSA-N 1 0 322.792 3.179 20 10 DGCDRO CCc1cnc(CC[NH2+][C@H](C)c2cccc(OC)c2O)s1 ZINC000846149424 631212401 /nfs/dbraw/zinc/21/24/01/631212401.db2.gz ZHJVYDZSBRPSTH-LLVKDONJSA-N 1 0 306.431 3.313 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)c1O ZINC000846157211 631212462 /nfs/dbraw/zinc/21/24/62/631212462.db2.gz SAZTWQUGVAYBPN-ZQIUZPCESA-N 1 0 315.413 3.044 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)c1O ZINC000846157205 631212662 /nfs/dbraw/zinc/21/26/62/631212662.db2.gz SAZTWQUGVAYBPN-GRDNDAEWSA-N 1 0 315.413 3.044 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCCc2cccc(C)n2)c1O ZINC000846172928 631213446 /nfs/dbraw/zinc/21/34/46/631213446.db2.gz PPFDTADFMOTXLP-AWEZNQCLSA-N 1 0 300.402 3.388 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2F)c1O ZINC000846175146 631213601 /nfs/dbraw/zinc/21/36/01/631213601.db2.gz XFEQSVWBKVQCOD-MLGOLLRUSA-N 1 0 319.376 3.314 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c1O ZINC000846171732 631213623 /nfs/dbraw/zinc/21/36/23/631213623.db2.gz VXGPXIZRQJQSBK-ZFWWWQNUSA-N 1 0 307.434 3.240 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)c1 ZINC000846181535 631213760 /nfs/dbraw/zinc/21/37/60/631213760.db2.gz ZSVJUXTVLXNTHA-FOIQADDNSA-N 1 0 311.425 3.228 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000846204987 631214704 /nfs/dbraw/zinc/21/47/04/631214704.db2.gz DLAOZFHNUAIMKF-ABAIWWIYSA-N 1 0 322.836 3.097 20 10 DGCDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000846704289 631290184 /nfs/dbraw/zinc/29/01/84/631290184.db2.gz UIQCEXXXLAXETE-AAEUAGOBSA-N 1 0 315.383 3.083 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1ccc(N2CCOCC2)cc1 ZINC000848526612 631677541 /nfs/dbraw/zinc/67/75/41/631677541.db2.gz CFNCJTIJEVIVFB-HLLBOEOZSA-N 1 0 320.502 3.458 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1C ZINC000848557025 631692242 /nfs/dbraw/zinc/69/22/42/631692242.db2.gz DXGPFXIWGBCCQJ-MPTYRVRUSA-N 1 0 320.477 3.157 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c(O)c1 ZINC000848559144 631692698 /nfs/dbraw/zinc/69/26/98/631692698.db2.gz AVHKQJJNTJZUAI-QZTJIDSGSA-N 1 0 305.418 3.228 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cc1F ZINC000848560624 631692711 /nfs/dbraw/zinc/69/27/11/631692711.db2.gz OXMRIRCCUOYKJK-ZWKOTPCHSA-N 1 0 306.425 3.329 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c(O)c1 ZINC000848559143 631693113 /nfs/dbraw/zinc/69/31/13/631693113.db2.gz AVHKQJJNTJZUAI-MSOLQXFVSA-N 1 0 305.418 3.228 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000848562367 631694062 /nfs/dbraw/zinc/69/40/62/631694062.db2.gz IOEMZUOUMAHQKQ-KGLIPLIRSA-N 1 0 306.450 3.381 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000848563862 631694070 /nfs/dbraw/zinc/69/40/70/631694070.db2.gz XZNACCVYHBULSJ-VXGBXAGGSA-N 1 0 309.406 3.029 20 10 DGCDRO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000848571480 631697728 /nfs/dbraw/zinc/69/77/28/631697728.db2.gz BZVCPMRFOLUYHN-CQSZACIVSA-N 1 0 313.397 3.267 20 10 DGCDRO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000848572167 631697837 /nfs/dbraw/zinc/69/78/37/631697837.db2.gz GYOXYNAEKAJJRL-GFCCVEGCSA-N 1 0 317.360 3.098 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000848882612 631769595 /nfs/dbraw/zinc/76/95/95/631769595.db2.gz VVSUVURMRQKRHZ-OAHLLOKOSA-N 1 0 301.390 3.026 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(c3nc(C)no3)CC2)c1O ZINC000848882624 631769878 /nfs/dbraw/zinc/76/98/78/631769878.db2.gz WCMKFYBUNIXWTO-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO CCc1cccc(C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)c1O ZINC000848887339 631772607 /nfs/dbraw/zinc/77/26/07/631772607.db2.gz UAEQPOKHUHCJFY-SFHVURJKSA-N 1 0 315.413 3.129 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(OCCOC)cc2)c1O ZINC000848892558 631775656 /nfs/dbraw/zinc/77/56/56/631775656.db2.gz AKKHYOWHLJEDSE-UHFFFAOYSA-N 1 0 315.413 3.270 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1O ZINC000848896148 631776549 /nfs/dbraw/zinc/77/65/49/631776549.db2.gz TUGAKVYBYWYZME-ZDUSSCGKSA-N 1 0 324.424 3.324 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000848913191 631783993 /nfs/dbraw/zinc/78/39/93/631783993.db2.gz QTWTURDMRXOKES-QUCCMNQESA-N 1 0 311.425 3.210 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000848912082 631784127 /nfs/dbraw/zinc/78/41/27/631784127.db2.gz AHRKNOWBCNLWCZ-OAHLLOKOSA-N 1 0 305.809 3.252 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000848912244 631784138 /nfs/dbraw/zinc/78/41/38/631784138.db2.gz PFSHASHFMVDGFQ-GOSISDBHSA-N 1 0 316.420 3.486 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(OCCOC(C)C)CC2)c1O ZINC000848914666 631785090 /nfs/dbraw/zinc/78/50/90/631785090.db2.gz MPADVHOEYAMASC-UHFFFAOYSA-N 1 0 321.461 3.361 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000848921459 631788598 /nfs/dbraw/zinc/78/85/98/631788598.db2.gz BJVZOHJUKUUZBF-OALUTQOASA-N 1 0 302.462 3.498 20 10 DGCDRO CC1CCN(c2ccc(CNC(=[NH2+])NC3CCCC3)cc2)CC1 ZINC000849006487 631804715 /nfs/dbraw/zinc/80/47/15/631804715.db2.gz LARJCVIETISZBI-UHFFFAOYSA-N 1 0 314.477 3.479 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)cc1C ZINC000849350483 631900288 /nfs/dbraw/zinc/90/02/88/631900288.db2.gz YUTNTAJXTLXNJV-RTBURBONSA-N 1 0 310.441 3.244 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCN(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850118804 632059981 /nfs/dbraw/zinc/05/99/81/632059981.db2.gz JFQQBOZESCSZFF-AWEZNQCLSA-N 1 0 318.461 3.025 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCN(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850118805 632060266 /nfs/dbraw/zinc/06/02/66/632060266.db2.gz JFQQBOZESCSZFF-CQSZACIVSA-N 1 0 318.461 3.025 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cc(OC)ccc2O)c(C)c1 ZINC000850136750 632063709 /nfs/dbraw/zinc/06/37/09/632063709.db2.gz CFJKXIAVZMPLFF-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO COc1cc(C[NH2+]CCOCC(F)F)c(O)c(C(C)(C)C)c1 ZINC000850272682 632099752 /nfs/dbraw/zinc/09/97/52/632099752.db2.gz ZJMKFNILZLQTJJ-UHFFFAOYSA-N 1 0 317.376 3.070 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)CCCCO)c(O)c(C(C)(C)C)c1 ZINC000850314466 632111251 /nfs/dbraw/zinc/11/12/51/632111251.db2.gz USDNFSDMRGAJCY-ZDUSSCGKSA-N 1 0 309.450 3.339 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H](C)CCCO)c(O)c(C(C)(C)C)c1 ZINC000850313501 632111410 /nfs/dbraw/zinc/11/14/10/632111410.db2.gz BPQSMGJSGNCMLB-ZDUSSCGKSA-N 1 0 309.450 3.197 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000850326634 632114326 /nfs/dbraw/zinc/11/43/26/632114326.db2.gz APTWJWLZUZWQCA-UKRRQHHQSA-N 1 0 321.461 3.339 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1 ZINC000850341809 632118451 /nfs/dbraw/zinc/11/84/51/632118451.db2.gz ATBVTELVDHCNJW-MJRGOJFPSA-N 1 0 301.478 3.228 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)o3)C2)cc1 ZINC000850345791 632119936 /nfs/dbraw/zinc/11/99/36/632119936.db2.gz KOMOHBDOPAXJFZ-GFCCVEGCSA-N 1 0 306.793 3.310 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3sc(C)nc3C)C2)cc1 ZINC000850346291 632120244 /nfs/dbraw/zinc/12/02/44/632120244.db2.gz DQRJLDQLEIQXDI-CQSZACIVSA-N 1 0 317.458 3.137 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccccc3OC)C2)cc1 ZINC000850345670 632120296 /nfs/dbraw/zinc/12/02/96/632120296.db2.gz HLCVKMHZFFFIIM-MRXNPFEDSA-N 1 0 312.413 3.072 20 10 DGCDRO CCc1ncc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000850347115 632120917 /nfs/dbraw/zinc/12/09/17/632120917.db2.gz NQXHQXZWIAJPGR-CYBMUJFWSA-N 1 0 317.458 3.083 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000850352927 632122828 /nfs/dbraw/zinc/12/28/28/632122828.db2.gz MNOOULGYQZNMHH-UHFFFAOYSA-N 1 0 317.820 3.331 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccnc2N2CCCC2)cc1C ZINC000850352944 632122924 /nfs/dbraw/zinc/12/29/24/632122924.db2.gz NDWRFXCUHIBXOW-UHFFFAOYSA-N 1 0 311.429 3.289 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2COc3cc(F)ccc3C2)c1 ZINC000850381632 632134067 /nfs/dbraw/zinc/13/40/67/632134067.db2.gz HWLSBSFIUPHKQU-OAHLLOKOSA-N 1 0 317.360 3.023 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)ccc1N1CCCCC1 ZINC000850393903 632137903 /nfs/dbraw/zinc/13/79/03/632137903.db2.gz YDNAMPSTSMCQNF-JLVBRIDZSA-N 1 0 315.417 3.473 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2CCC(O)CC2)cc1F ZINC000850395770 632138784 /nfs/dbraw/zinc/13/87/84/632138784.db2.gz YGWSTOHXHXNNAB-UHFFFAOYSA-N 1 0 308.441 3.313 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)CC1 ZINC000850405635 632142423 /nfs/dbraw/zinc/14/24/23/632142423.db2.gz XKCOBBLZFKYOMT-INIZCTEOSA-N 1 0 300.446 3.094 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCCc3ccco3)CC2)cc1 ZINC000850408018 632143567 /nfs/dbraw/zinc/14/35/67/632143567.db2.gz VGVLSMISDCOMIQ-UHFFFAOYSA-N 1 0 314.429 3.479 20 10 DGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)[C@@H]1CCOC1 ZINC000850484122 632165992 /nfs/dbraw/zinc/16/59/92/632165992.db2.gz CPZZAWJCUAJXPW-YWPYICTPSA-N 1 0 313.825 3.056 20 10 DGCDRO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000850484610 632166867 /nfs/dbraw/zinc/16/68/67/632166867.db2.gz MMZGXMDPWAENPY-AWEZNQCLSA-N 1 0 312.413 3.188 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cnc(C)s3)C2)cc1 ZINC000850487629 632167567 /nfs/dbraw/zinc/16/75/67/632167567.db2.gz IQGMITYWVDROKZ-OCCSQVGLSA-N 1 0 317.458 3.390 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C3(OC)CCCC3)C2)cc1 ZINC000850486707 632167612 /nfs/dbraw/zinc/16/76/12/632167612.db2.gz JOCFBVAARFBPIT-CVEARBPZSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C3CC3)C3CCC3)C2)cc1 ZINC000850485952 632167718 /nfs/dbraw/zinc/16/77/18/632167718.db2.gz DKXLPXHQKIKRST-QFBILLFUSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cnccc3C)C2)cc1 ZINC000850489221 632168200 /nfs/dbraw/zinc/16/82/00/632168200.db2.gz SCXFUTDKFGVOME-CVEARBPZSA-N 1 0 311.429 3.328 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ccc(C)cc1O ZINC000850500237 632172548 /nfs/dbraw/zinc/17/25/48/632172548.db2.gz DTGHJCARVDGUCN-SJORKVTESA-N 1 0 324.424 3.329 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1 ZINC000850501493 632173228 /nfs/dbraw/zinc/17/32/28/632173228.db2.gz NFXQZQFZKLKQEA-IDWSUWKASA-N 1 0 322.518 3.483 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(N(C)C)cc1 ZINC000850503122 632173531 /nfs/dbraw/zinc/17/35/31/632173531.db2.gz ULOSYEHWYMGLSQ-VIRVFLBCSA-N 1 0 322.518 3.483 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(C)cc1O ZINC000850503740 632174391 /nfs/dbraw/zinc/17/43/91/632174391.db2.gz YTEHHWVWKVJTIB-BEZKYQLSSA-N 1 0 309.475 3.431 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c(O)c1C ZINC000850533142 632183306 /nfs/dbraw/zinc/18/33/06/632183306.db2.gz RGCPTBJQMZIAQH-XPKDYRNWSA-N 1 0 311.372 3.474 20 10 DGCDRO C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(N(C)C)cc1 ZINC000850533743 632183999 /nfs/dbraw/zinc/18/39/99/632183999.db2.gz DZGZXXCMDYJIDR-MAZHCROVSA-N 1 0 310.388 3.218 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2COc3cc(F)ccc3C2)c1O ZINC000850537794 632186113 /nfs/dbraw/zinc/18/61/13/632186113.db2.gz URUTYAHVLZHPSE-BXUZGUMPSA-N 1 0 317.360 3.194 20 10 DGCDRO CC[C@@H]([NH2+]Cc1nccc(OC)c1F)c1ccc(C)cc1O ZINC000850537766 632186230 /nfs/dbraw/zinc/18/62/30/632186230.db2.gz UFGVLYPRVYAKII-CYBMUJFWSA-N 1 0 304.365 3.484 20 10 DGCDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCc3cccc(O)c32)cn1 ZINC000850541292 632186632 /nfs/dbraw/zinc/18/66/32/632186632.db2.gz UVXFYSGSGHELJR-ULQDDVLXSA-N 1 0 311.429 3.114 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O ZINC000850557945 632192544 /nfs/dbraw/zinc/19/25/44/632192544.db2.gz ORZLOYSSXWENSJ-ZBFHGGJFSA-N 1 0 318.461 3.388 20 10 DGCDRO CNC(=O)CC1(C[NH2+][C@H](C)c2ccccc2O)CCCCC1 ZINC000850558118 632192724 /nfs/dbraw/zinc/19/27/24/632192724.db2.gz ZOCZIYMPLCBVBH-CQSZACIVSA-N 1 0 304.434 3.129 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c(O)c1C ZINC000850562647 632194700 /nfs/dbraw/zinc/19/47/00/632194700.db2.gz OTAXNBULJGMMGH-KXBFYZLASA-N 1 0 321.461 3.227 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@H]1C ZINC000850568006 632196489 /nfs/dbraw/zinc/19/64/89/632196489.db2.gz NVVPRTXWSIWHSA-CCKFTAQKSA-N 1 0 302.462 3.172 20 10 DGCDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567940 632196665 /nfs/dbraw/zinc/19/66/65/632196665.db2.gz MKWUQNNCEINCLA-UXPWSPDFSA-N 1 0 314.473 3.316 20 10 DGCDRO CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000850572574 632198191 /nfs/dbraw/zinc/19/81/91/632198191.db2.gz DLQQZJPUKJNAFY-AWEZNQCLSA-N 1 0 317.429 3.481 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1cc(F)ccc1O ZINC000850572134 632198527 /nfs/dbraw/zinc/19/85/27/632198527.db2.gz BLNMGQLIYQCCLZ-ZJNRKIDTSA-N 1 0 303.377 3.347 20 10 DGCDRO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1F ZINC000109770796 632316488 /nfs/dbraw/zinc/31/64/88/632316488.db2.gz BFRPLHGZCQTAIK-CYBMUJFWSA-N 1 0 316.376 3.299 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](OC)[C@@H]2CCOC2)cc1 ZINC000851717017 632474437 /nfs/dbraw/zinc/47/44/37/632474437.db2.gz UKHJWWQRUFHZGV-MJGOQNOKSA-N 1 0 320.477 3.016 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)ccc1N(C)C ZINC000852035943 632543748 /nfs/dbraw/zinc/54/37/48/632543748.db2.gz RGVUQNIBCOURBY-GJZGRUSLSA-N 1 0 318.383 3.098 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)c1O ZINC000184798744 660187734 /nfs/dbraw/zinc/18/77/34/660187734.db2.gz QYDOUKFYJZXLKM-UHFFFAOYSA-N 1 0 316.367 3.159 20 10 DGCDRO C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000184923687 660195445 /nfs/dbraw/zinc/19/54/45/660195445.db2.gz OEWNYHABWHDXMT-AWEZNQCLSA-N 1 0 314.404 3.240 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000184923704 660195496 /nfs/dbraw/zinc/19/54/96/660195496.db2.gz OEWNYHABWHDXMT-CQSZACIVSA-N 1 0 314.404 3.240 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000184948236 660196429 /nfs/dbraw/zinc/19/64/29/660196429.db2.gz YEYJTDCVRRHKRD-FZKQIMNGSA-N 1 0 301.386 3.093 20 10 DGCDRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185117144 660202639 /nfs/dbraw/zinc/20/26/39/660202639.db2.gz IINQSKHSAFUOST-GDBMZVCRSA-N 1 0 317.429 3.230 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000174007933 659409588 /nfs/dbraw/zinc/40/95/88/659409588.db2.gz SEXPYJUXNPIKLN-HOTGVXAUSA-N 1 0 311.429 3.330 20 10 DGCDRO C[N@H+](CCc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000072981078 660234268 /nfs/dbraw/zinc/23/42/68/660234268.db2.gz ZDDDCFIFUICTCJ-UHFFFAOYSA-N 1 0 310.441 3.198 20 10 DGCDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1cc2c(cc1O)CCCC2 ZINC000186481928 660446999 /nfs/dbraw/zinc/44/69/99/660446999.db2.gz PJVKAWVGTNRBFU-CQSZACIVSA-N 1 0 303.446 3.474 20 10 DGCDRO COc1cccc(C[NH+]2CCC(Oc3ccccc3)CC2)c1O ZINC000091682397 660452229 /nfs/dbraw/zinc/45/22/29/660452229.db2.gz JMXRKTYOWAOUMA-UHFFFAOYSA-N 1 0 313.397 3.444 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCCSC1 ZINC000701094923 660654413 /nfs/dbraw/zinc/65/44/13/660654413.db2.gz RQHMQQPRMMFARQ-SNVBAGLBSA-N 1 0 316.264 3.388 20 10 DGCDRO CO[C@H]([C@@H](C)[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706881087 660879202 /nfs/dbraw/zinc/87/92/02/660879202.db2.gz LXTYEQUPPVIWNJ-YMTOWFKASA-N 1 0 314.223 3.058 20 10 DGCDRO COCC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000707139460 660889091 /nfs/dbraw/zinc/88/90/91/660889091.db2.gz IXQKHNSGJKHEJT-UHFFFAOYSA-N 1 0 314.223 3.013 20 10 DGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000707130135 660889645 /nfs/dbraw/zinc/88/96/45/660889645.db2.gz YUIOAMLORCMJFY-NSHDSACASA-N 1 0 314.223 3.156 20 10 DGCDRO COC(=O)C(C)(C)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000792780398 660984565 /nfs/dbraw/zinc/98/45/65/660984565.db2.gz OQXSKOPLPWHDOZ-UHFFFAOYSA-N 1 0 318.461 3.306 20 10 DGCDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075316 661003744 /nfs/dbraw/zinc/00/37/44/661003744.db2.gz ZEBYKFZHAHMSLI-MNOVXSKESA-N 1 0 304.356 3.020 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)N(C)C)c(C(F)(F)F)c1 ZINC000792887602 660991708 /nfs/dbraw/zinc/99/17/08/660991708.db2.gz AYYIUIQTIOGORD-UHFFFAOYSA-N 1 0 317.399 3.201 20 10 DGCDRO CCC(O)(CC)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792941396 660995544 /nfs/dbraw/zinc/99/55/44/660995544.db2.gz UVFQFRGBTQQUBK-UHFFFAOYSA-N 1 0 318.383 3.412 20 10 DGCDRO C[C@H](CC[NH+](C)C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000792948085 660996674 /nfs/dbraw/zinc/99/66/74/660996674.db2.gz WFDASIXHGVFPGE-GFCCVEGCSA-N 1 0 317.399 3.201 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@]2(C)CCCOC2)c(C(F)(F)F)c1 ZINC000793060304 661002810 /nfs/dbraw/zinc/00/28/10/661002810.db2.gz YGAWTWOERSFGEG-HNNXBMFYSA-N 1 0 316.367 3.430 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CC2(O)CCC2)c(C(F)(F)F)c1 ZINC000793075767 661003643 /nfs/dbraw/zinc/00/36/43/661003643.db2.gz YTCLWJBWQHDETI-UHFFFAOYSA-N 1 0 316.367 3.118 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CCO)c(C(F)(F)F)c1 ZINC000793093605 661004710 /nfs/dbraw/zinc/00/47/10/661004710.db2.gz PUERVQUZYZELOU-CYBMUJFWSA-N 1 0 316.367 3.118 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000793192049 661011814 /nfs/dbraw/zinc/01/18/14/661011814.db2.gz OYHDWTGATJHLQX-YXJHDRRASA-N 1 0 318.461 3.340 20 10 DGCDRO COc1cc(Br)cc(C[NH+]2[C@H](C)C[C@H]2C)c1O ZINC000793220121 661014267 /nfs/dbraw/zinc/01/42/67/661014267.db2.gz JYPKDPQHAFWEKH-RKDXNWHRSA-N 1 0 300.196 3.146 20 10 DGCDRO CSc1ccccc1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000793232809 661015625 /nfs/dbraw/zinc/01/56/25/661015625.db2.gz NVSCGMVWAFYYQS-UHFFFAOYSA-N 1 0 317.410 3.475 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(C)c2O)CCCC1 ZINC000793232548 661015739 /nfs/dbraw/zinc/01/57/39/661015739.db2.gz XTOXDNOHLLWIHP-UHFFFAOYSA-N 1 0 311.809 3.320 20 10 DGCDRO COCCC1([NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000793329651 661024949 /nfs/dbraw/zinc/02/49/49/661024949.db2.gz QURYKDJEGMFUKE-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c(O)c1 ZINC000793389501 661029296 /nfs/dbraw/zinc/02/92/96/661029296.db2.gz ZWQMWNFZIWNAIR-UHFFFAOYSA-N 1 0 313.397 3.404 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(C)nn2C)cc1 ZINC000793519888 661040917 /nfs/dbraw/zinc/04/09/17/661040917.db2.gz DQLAWEYLZKXJOC-OAHLLOKOSA-N 1 0 300.450 3.426 20 10 DGCDRO Cc1cccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c1C ZINC000793570343 661046556 /nfs/dbraw/zinc/04/65/56/661046556.db2.gz MJFJKTZQXDSHRS-GOSISDBHSA-N 1 0 313.397 3.067 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](C2CC2)O1 ZINC000794661318 661096418 /nfs/dbraw/zinc/09/64/18/661096418.db2.gz ZCRXWSVQQYBNAG-BFUOFWGJSA-N 1 0 301.430 3.270 20 10 DGCDRO CC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(C)cc1O ZINC000794789963 661105450 /nfs/dbraw/zinc/10/54/50/661105450.db2.gz BCMAQTRKCXMAFS-QGZVFWFLSA-N 1 0 301.434 3.334 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1O ZINC000794802382 661106302 /nfs/dbraw/zinc/10/63/02/661106302.db2.gz DZWTXDVAJCKNRY-TZMCWYRMSA-N 1 0 316.367 3.378 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O ZINC000794817810 661107058 /nfs/dbraw/zinc/10/70/58/661107058.db2.gz RATNKTMYFSUKPP-ZFWWWQNUSA-N 1 0 304.434 3.141 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccn(CC)c1=O)c1ccc(C)cc1O ZINC000794829987 661107725 /nfs/dbraw/zinc/10/77/25/661107725.db2.gz XAFHMNNLZGJEKB-MRXNPFEDSA-N 1 0 300.402 3.123 20 10 DGCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000317323530 655613325 /nfs/dbraw/zinc/61/33/25/655613325.db2.gz FRZMNKYJLYSNNY-STQMWFEESA-N 1 0 300.402 3.109 20 10 DGCDRO COc1cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC000795673628 661166844 /nfs/dbraw/zinc/16/68/44/661166844.db2.gz HHLVAOXSOAYPAP-OTVXOJSOSA-N 1 0 307.434 3.308 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cc(Cl)cn2C)c(O)cc1C ZINC000160392844 655628662 /nfs/dbraw/zinc/62/86/62/655628662.db2.gz NCDXZGATFUMUTK-UHFFFAOYSA-N 1 0 308.809 3.333 20 10 DGCDRO CCOc1cccc(C[N@H+](CCOC)Cc2ccccc2)c1O ZINC000160445270 655633407 /nfs/dbraw/zinc/63/34/07/655633407.db2.gz DCTPOHHIDZFVDC-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000933080500 655674351 /nfs/dbraw/zinc/67/43/51/655674351.db2.gz FUNNKVKNDVVERC-GOSISDBHSA-N 1 0 302.462 3.391 20 10 DGCDRO COCCC[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000178463951 655747795 /nfs/dbraw/zinc/74/77/95/655747795.db2.gz SCPYOAZWYOTEFH-HNNXBMFYSA-N 1 0 306.450 3.069 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934334416 655768565 /nfs/dbraw/zinc/76/85/65/655768565.db2.gz UWAOEACHLAVYEV-HNNXBMFYSA-N 1 0 301.459 3.274 20 10 DGCDRO COc1ccccc1OCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000051588491 655772196 /nfs/dbraw/zinc/77/21/96/655772196.db2.gz YLRNIQHLSHHOAV-UHFFFAOYSA-N 1 0 314.429 3.272 20 10 DGCDRO C[C@H](C1CC1)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000092009594 655772211 /nfs/dbraw/zinc/77/22/11/655772211.db2.gz NAUYQBIPJMYYCS-OAHLLOKOSA-N 1 0 300.446 3.286 20 10 DGCDRO O=C(CC1CCCCC1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179567111 655908927 /nfs/dbraw/zinc/90/89/27/655908927.db2.gz HPFPHKZGLDZILC-UHFFFAOYSA-N 1 0 316.445 3.007 20 10 DGCDRO c1ccc(COC2CC([NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000716286744 661221220 /nfs/dbraw/zinc/22/12/20/661221220.db2.gz TYZFHFRUZDFFKT-UHFFFAOYSA-N 1 0 309.409 3.459 20 10 DGCDRO Cc1cccc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c1O ZINC000182639703 656107115 /nfs/dbraw/zinc/10/71/15/656107115.db2.gz CBUXHLJHXRREBR-UHFFFAOYSA-N 1 0 318.461 3.265 20 10 DGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCSc1nccs1 ZINC000182670169 656107669 /nfs/dbraw/zinc/10/76/69/656107669.db2.gz XREAMMXWPHYUOK-NSHDSACASA-N 1 0 316.492 3.335 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184912500 656122099 /nfs/dbraw/zinc/12/20/99/656122099.db2.gz PGFJTRQWEVZCGE-OWCLPIDISA-N 1 0 320.477 3.239 20 10 DGCDRO COCCC1(C[NH2+]Cc2cccc(OC)c2O)CCCCC1 ZINC000185225740 656124763 /nfs/dbraw/zinc/12/47/63/656124763.db2.gz QRUMKJFYNLSKII-UHFFFAOYSA-N 1 0 307.434 3.477 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H](O)c1ccc(F)cc1 ZINC000185469109 656126691 /nfs/dbraw/zinc/12/66/91/656126691.db2.gz MMCDUNGKCRKZNA-RVPKQNPDSA-N 1 0 307.340 3.443 20 10 DGCDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000296660269 656168249 /nfs/dbraw/zinc/16/82/49/656168249.db2.gz ZRWRJBDZXFBWCL-BXWFABGCSA-N 1 0 320.477 3.235 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000296660276 656168386 /nfs/dbraw/zinc/16/83/86/656168386.db2.gz ZRWRJBDZXFBWCL-TXPKVOOTSA-N 1 0 320.477 3.235 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000162613590 656177766 /nfs/dbraw/zinc/17/77/66/656177766.db2.gz BWDKVXKFJRHOKM-UHFFFAOYSA-N 1 0 314.477 3.209 20 10 DGCDRO CCO[C@H](C[NH2+]Cc1cccc(OC)c1O)c1ccccc1 ZINC000194465014 656201378 /nfs/dbraw/zinc/20/13/78/656201378.db2.gz NTQHNFLRTTZWSY-QGZVFWFLSA-N 1 0 301.386 3.268 20 10 DGCDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000236700560 656206700 /nfs/dbraw/zinc/20/67/00/656206700.db2.gz FMCKFOZBRLKWHR-UHFFFAOYSA-N 1 0 303.333 3.285 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1O ZINC000178408711 656287691 /nfs/dbraw/zinc/28/76/91/656287691.db2.gz GWDIEBDVKRHNCX-CYBMUJFWSA-N 1 0 300.402 3.318 20 10 DGCDRO COC(=O)CN(Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000093286935 656301487 /nfs/dbraw/zinc/30/14/87/656301487.db2.gz IGANVUXYEMJWDC-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185511463 656432316 /nfs/dbraw/zinc/43/23/16/656432316.db2.gz XSAADLYQDJGYHD-HWWQOWPSSA-N 1 0 305.443 3.308 20 10 DGCDRO CC(=O)N1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000320028279 657343338 /nfs/dbraw/zinc/34/33/38/657343338.db2.gz GUSMRWAAKKFMNM-CYBMUJFWSA-N 1 0 312.413 3.207 20 10 DGCDRO COc1cc(Br)cc(C[NH+]2CCCCC2)c1O ZINC000092106922 657422022 /nfs/dbraw/zinc/42/20/22/657422022.db2.gz TXSSUDZNMAHXNR-UHFFFAOYSA-N 1 0 300.196 3.149 20 10 DGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305138074 657685391 /nfs/dbraw/zinc/68/53/91/657685391.db2.gz PECSVNLIMCZPNM-HNAYVOBHSA-N 1 0 320.477 3.051 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000305718542 657928020 /nfs/dbraw/zinc/92/80/20/657928020.db2.gz VHLQPTOJRTVFRO-INIZCTEOSA-N 1 0 309.768 3.182 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cc(F)ccc1O ZINC000321328306 658166315 /nfs/dbraw/zinc/16/63/15/658166315.db2.gz JBNHCRWPDACELV-VHSXEESVSA-N 1 0 315.348 3.113 20 10 DGCDRO C[C@@H]1COCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000054462367 658335680 /nfs/dbraw/zinc/33/56/80/658335680.db2.gz BCCFUNYCZCLSLV-GFCCVEGCSA-N 1 0 301.386 3.238 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000322301650 658488095 /nfs/dbraw/zinc/48/80/95/658488095.db2.gz WDRUCSNDLTWAQQ-GOSISDBHSA-N 1 0 318.461 3.090 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1O ZINC000163895044 658906688 /nfs/dbraw/zinc/90/66/88/658906688.db2.gz FZDSQPJPFSHRLA-SFHVURJKSA-N 1 0 313.397 3.283 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H](C)[C@H]3C)c2c1 ZINC000164144582 658919213 /nfs/dbraw/zinc/91/92/13/658919213.db2.gz UEPZTZFAPDKDGX-CHWSQXEVSA-N 1 0 301.386 3.163 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000164356292 658929876 /nfs/dbraw/zinc/92/98/76/658929876.db2.gz ACELJIVILPOONY-UHFFFAOYSA-N 1 0 316.367 3.079 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCN(c3cccs3)CC2)c1O ZINC000164487310 658936642 /nfs/dbraw/zinc/93/66/42/658936642.db2.gz HIMPRGHGUUNGQQ-UHFFFAOYSA-N 1 0 318.442 3.093 20 10 DGCDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000165198057 658969469 /nfs/dbraw/zinc/96/94/69/658969469.db2.gz PROUBZSFFBNMOQ-LLVKDONJSA-N 1 0 320.330 3.093 20 10 DGCDRO CCC[N@H+](CC(=O)c1cc(C)[nH]c1C)Cc1ccccc1O ZINC000157057754 658983503 /nfs/dbraw/zinc/98/35/03/658983503.db2.gz IPJYSGZJLHXVAK-UHFFFAOYSA-N 1 0 300.402 3.432 20 10 DGCDRO CC(C)COCCC[NH2+]Cc1cc(Br)ccc1O ZINC000227435371 659154780 /nfs/dbraw/zinc/15/47/80/659154780.db2.gz RFEBXXJGELXNMW-UHFFFAOYSA-N 1 0 316.239 3.307 20 10 DGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000171734398 659296925 /nfs/dbraw/zinc/29/69/25/659296925.db2.gz ZSVHFPHXLTUPRI-OAHLLOKOSA-N 1 0 318.461 3.497 20 10 DGCDRO CC(C)C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000171883471 659306393 /nfs/dbraw/zinc/30/63/93/659306393.db2.gz DAYXHQGAFFESQP-UHFFFAOYSA-N 1 0 319.493 3.077 20 10 DGCDRO C[N@H+](Cc1ccc(Br)cn1)Cc1ccccc1O ZINC000171960910 659307813 /nfs/dbraw/zinc/30/78/13/659307813.db2.gz YQRCNFSSLVFVIZ-UHFFFAOYSA-N 1 0 307.191 3.182 20 10 DGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccsc3)SC2=S)CC1 ZINC000063824286 659413864 /nfs/dbraw/zinc/41/38/64/659413864.db2.gz UFFSJLMKHCXAMD-WQLSENKSSA-N 1 0 324.496 3.044 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C(C)C)C2)cc1C ZINC000994771843 659924787 /nfs/dbraw/zinc/92/47/87/659924787.db2.gz RFYUKKGYBOEAOL-IAGOWNOFSA-N 1 0 318.461 3.034 20 10 DGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000237544004 659927938 /nfs/dbraw/zinc/92/79/38/659927938.db2.gz WZMCUYNALXMHEC-GJYPPUQNSA-N 1 0 302.462 3.438 20 10 DGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000237543970 659928122 /nfs/dbraw/zinc/92/81/22/659928122.db2.gz ZUMAIONWXZOCMS-RYRKJORJSA-N 1 0 302.462 3.438 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H](c2ccccc2)O1 ZINC000179986777 659948226 /nfs/dbraw/zinc/94/82/26/659948226.db2.gz RMIBXGCLUNAYML-FZKQIMNGSA-N 1 0 301.361 3.493 20 10 DGCDRO CC[N@H+](Cc1cc(Br)cc(OC)c1O)C1CC1 ZINC000180100277 659951875 /nfs/dbraw/zinc/95/18/75/659951875.db2.gz ZNQWJBDLYUITFK-UHFFFAOYSA-N 1 0 300.196 3.148 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000069716489 660016652 /nfs/dbraw/zinc/01/66/52/660016652.db2.gz UCXGWCSNIYSSQT-UHFFFAOYSA-N 1 0 302.443 3.431 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(C)cc2)c1 ZINC000182317436 660042322 /nfs/dbraw/zinc/04/23/22/660042322.db2.gz KDCDXFOPWCFHGU-AWEZNQCLSA-N 1 0 301.386 3.439 20 10 DGCDRO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182406310 660051378 /nfs/dbraw/zinc/05/13/78/660051378.db2.gz VVDWINXUYUOJAT-KBPBESRZSA-N 1 0 322.449 3.136 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000070395699 660054566 /nfs/dbraw/zinc/05/45/66/660054566.db2.gz NPZWFASDGQHWJO-UHFFFAOYSA-N 1 0 320.234 3.200 20 10 DGCDRO CCC[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000182953355 660092722 /nfs/dbraw/zinc/09/27/22/660092722.db2.gz HSLSEPSVBMHWOT-UHFFFAOYSA-N 1 0 315.413 3.176 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3CCCCCC3)cc2)CC1 ZINC000076275594 661976610 /nfs/dbraw/zinc/97/66/10/661976610.db2.gz XHVPHFWWNDAMKQ-UHFFFAOYSA-N 1 0 302.462 3.460 20 10 DGCDRO COc1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)c(O)cc1C ZINC000190171482 662021504 /nfs/dbraw/zinc/02/15/04/662021504.db2.gz LGBIYEHZHHSZIE-QGZVFWFLSA-N 1 0 305.418 3.100 20 10 DGCDRO COc1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c(O)cc1C ZINC000190171461 662021574 /nfs/dbraw/zinc/02/15/74/662021574.db2.gz LGBIYEHZHHSZIE-KRWDZBQOSA-N 1 0 305.418 3.100 20 10 DGCDRO CCN(C)c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000190907368 662049025 /nfs/dbraw/zinc/04/90/25/662049025.db2.gz BTXDOBHKGNXJMK-UHFFFAOYSA-N 1 0 316.424 3.033 20 10 DGCDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000191567307 662072791 /nfs/dbraw/zinc/07/27/91/662072791.db2.gz OQKHJLIHKYHOAO-APWZRJJASA-N 1 0 312.457 3.315 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000192691139 662108281 /nfs/dbraw/zinc/10/82/81/662108281.db2.gz NZWSQZBVPWHDDZ-MNOVXSKESA-N 1 0 312.385 3.095 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccccc2)N(C)C)c1 ZINC000192907333 662115683 /nfs/dbraw/zinc/11/56/83/662115683.db2.gz XXCJFDVYYAQHHO-KBXCAEBGSA-N 1 0 314.429 3.354 20 10 DGCDRO CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCCO1 ZINC000194009752 662154584 /nfs/dbraw/zinc/15/45/84/662154584.db2.gz GGVRGWUUJIASCV-OAHLLOKOSA-N 1 0 307.434 3.396 20 10 DGCDRO COc1ccc(N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000195312608 662184339 /nfs/dbraw/zinc/18/43/39/662184339.db2.gz HRFZKVCSRJINEA-UHFFFAOYSA-N 1 0 302.443 3.121 20 10 DGCDRO COc1ccc(N2CC[NH+](CCc3cccs3)CC2)cc1F ZINC000084866454 662204422 /nfs/dbraw/zinc/20/44/22/662204422.db2.gz DQPVRQXVZIBKBL-UHFFFAOYSA-N 1 0 320.433 3.261 20 10 DGCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092073522 662327258 /nfs/dbraw/zinc/32/72/58/662327258.db2.gz GRIIZLRZZOMALO-MRXNPFEDSA-N 1 0 318.461 3.308 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092731426 662335340 /nfs/dbraw/zinc/33/53/40/662335340.db2.gz BEQKUQAFSSETGC-JKSUJKDBSA-N 1 0 318.461 3.217 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cc(F)ccc1O ZINC000248534329 662351911 /nfs/dbraw/zinc/35/19/11/662351911.db2.gz ZRVABIVGMVORPY-LXIYXOSZSA-N 1 0 303.377 3.174 20 10 DGCDRO Fc1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000093441991 662354958 /nfs/dbraw/zinc/35/49/58/662354958.db2.gz CZJQKXNOEZGHHU-IAGOWNOFSA-N 1 0 318.436 3.284 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000093612219 662357665 /nfs/dbraw/zinc/35/76/65/662357665.db2.gz OGXWJNNHGKWSOY-HNNXBMFYSA-N 1 0 316.367 3.032 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCN(C)CC23CCCCC3)c1O ZINC000093872001 662360906 /nfs/dbraw/zinc/36/09/06/662360906.db2.gz ICUIMDPFAZMJQC-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)N2CCCCC2)cc1 ZINC000386966184 685180891 /nfs/dbraw/zinc/18/08/91/685180891.db2.gz XGDQPCPOLBGDRH-KRWDZBQOSA-N 1 0 303.494 3.497 20 10 DGCDRO FC1(F)CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000390552468 685203169 /nfs/dbraw/zinc/20/31/69/685203169.db2.gz KMSJCLJDMDFPLX-OAHLLOKOSA-N 1 0 310.388 3.048 20 10 DGCDRO C[NH+](C)CCOc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000391784675 685212250 /nfs/dbraw/zinc/21/22/50/685212250.db2.gz CGNKJQVWJACWTC-KRWDZBQOSA-N 1 0 312.413 3.432 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)CC(F)(F)F ZINC000396980436 685229317 /nfs/dbraw/zinc/22/93/17/685229317.db2.gz VKVOMMUJJULXCR-ZDUSSCGKSA-N 1 0 316.367 3.201 20 10 DGCDRO CCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC[NH2+]CC1 ZINC001577526878 1191906825 /nfs/dbraw/zinc/90/68/25/1191906825.db2.gz ICOREBCCBHVXLW-UHFFFAOYSA-N 1 0 300.805 3.149 20 10 DGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001620785452 1191956763 /nfs/dbraw/zinc/95/67/63/1191956763.db2.gz ZXISTRVOJUWSPI-JCNLHEQBSA-N 1 0 319.468 3.246 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC001579674074 1191985798 /nfs/dbraw/zinc/98/57/98/1191985798.db2.gz MPMIYRBCHRQITL-QUCCMNQESA-N 1 0 323.440 3.109 20 10 DGCDRO Oc1cc(Cl)ccc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC001580887958 1192043762 /nfs/dbraw/zinc/04/37/62/1192043762.db2.gz BREWITXSTIXCBA-UHFFFAOYSA-N 1 0 304.777 3.140 20 10 DGCDRO CC(C)C([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)C ZINC001620853268 1192459001 /nfs/dbraw/zinc/45/90/01/1192459001.db2.gz UQQIMPUUHKAQKP-UHFFFAOYSA-N 1 0 321.484 3.348 20 10 DGCDRO Cc1cc(-c2nn[nH]n2)cc(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC001591847668 1192575474 /nfs/dbraw/zinc/57/54/74/1192575474.db2.gz BXFZSRXQKRAERN-ZDUSSCGKSA-N 1 0 323.400 3.040 20 10 DGCDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001620976128 1192735273 /nfs/dbraw/zinc/73/52/73/1192735273.db2.gz PWJDLWJQDHRAFG-TYKWCNGQSA-N 1 0 322.452 3.252 20 10 DGCDRO COCCOCCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000387568057 1177898198 /nfs/dbraw/zinc/89/81/98/1177898198.db2.gz IZMNAKUUUFKBRN-LSDHHAIUSA-N 1 0 307.434 3.282 20 10 DGCDRO Cn1cnc2cc(C[NH2+]Cc3ccc(N4CCCC4)cc3)ccc21 ZINC001332236197 1178401010 /nfs/dbraw/zinc/40/10/10/1178401010.db2.gz CEPKIYJDLXSIPN-UHFFFAOYSA-N 1 0 320.440 3.463 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC[C@@H]1CCOC1=O ZINC001332276936 1178410346 /nfs/dbraw/zinc/41/03/46/1178410346.db2.gz LAFBRSBDCOSMFN-MGPQQGTHSA-N 1 0 303.402 3.182 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC001332507802 1178458837 /nfs/dbraw/zinc/45/88/37/1178458837.db2.gz UTEJEYHKBOHWGA-SFHVURJKSA-N 1 0 317.477 3.023 20 10 DGCDRO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3c(C)cccc3O)C2)cc1 ZINC001332723570 1178483424 /nfs/dbraw/zinc/48/34/24/1178483424.db2.gz HCZNBSXSQPTIJE-MRXNPFEDSA-N 1 0 310.397 3.292 20 10 DGCDRO COc1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)c(O)c1OC ZINC001333670760 1178650770 /nfs/dbraw/zinc/65/07/70/1178650770.db2.gz MIVMPJLYFWEXEI-UHFFFAOYSA-N 1 0 317.360 3.327 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2c(C)nn(C(C)C)c2C)c1 ZINC001333684575 1178652365 /nfs/dbraw/zinc/65/23/65/1178652365.db2.gz LHXHXMKEGKANQL-UHFFFAOYSA-N 1 0 303.406 3.085 20 10 DGCDRO Cc1cccc(NCC[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001333720082 1178659782 /nfs/dbraw/zinc/65/97/82/1178659782.db2.gz WJBBJQCAITXJHU-UHFFFAOYSA-N 1 0 310.445 3.192 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC001334908937 1178828141 /nfs/dbraw/zinc/82/81/41/1178828141.db2.gz PSLBZQHTVNZLSZ-JGPRNRPPSA-N 1 0 302.315 3.164 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(F)cccc2OC)c1 ZINC001335222217 1178872114 /nfs/dbraw/zinc/87/21/14/1178872114.db2.gz NYPTYCCMALDKRQ-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCS[C@@H](C)C2)c1O ZINC001343288368 1179252417 /nfs/dbraw/zinc/25/24/17/1179252417.db2.gz UHDJSXKTTHWPMH-JOYOIKCWSA-N 1 0 301.839 3.428 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001344439553 1179434409 /nfs/dbraw/zinc/43/44/09/1179434409.db2.gz WKVJHZFYGMYAEJ-GVKBTVHKSA-N 1 0 300.446 3.267 20 10 DGCDRO Fc1cc(C[NH2+]CCC[C@H]2C=CCC2)ccc1N1CCOCC1 ZINC001621053697 1192975054 /nfs/dbraw/zinc/97/50/54/1192975054.db2.gz GEHONTBSAONITP-INIZCTEOSA-N 1 0 318.436 3.498 20 10 DGCDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1c(O)cccc1Br ZINC001351329758 1180199837 /nfs/dbraw/zinc/19/98/37/1180199837.db2.gz HYIVTWYRPYSCET-YGRLFVJLSA-N 1 0 314.223 3.059 20 10 DGCDRO C[N@H+](CCC(F)(F)F)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001352836767 1180407481 /nfs/dbraw/zinc/40/74/81/1180407481.db2.gz PNVPVCSEQLXJGS-UHFFFAOYSA-N 1 0 316.367 3.032 20 10 DGCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001200365863 1180577849 /nfs/dbraw/zinc/57/78/49/1180577849.db2.gz OTUILHHOFHYWDV-FQEVSTJZSA-N 1 0 310.441 3.418 20 10 DGCDRO CCCC[C@H](COC)[NH2+]Cc1c(O)cccc1Br ZINC001200630731 1180770544 /nfs/dbraw/zinc/77/05/44/1180770544.db2.gz LZAFWEQECPJSLD-LLVKDONJSA-N 1 0 316.239 3.450 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC001355362032 1181043543 /nfs/dbraw/zinc/04/35/43/1181043543.db2.gz IFOBRMQTVAKSHM-RTBURBONSA-N 1 0 300.446 3.334 20 10 DGCDRO CC(C)C[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001439960256 1182023502 /nfs/dbraw/zinc/02/35/02/1182023502.db2.gz LFTAGNYPXGXCMA-MAUKXSAKSA-N 1 0 319.493 3.154 20 10 DGCDRO CC[C@H]1CCCCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001459531727 1182591314 /nfs/dbraw/zinc/59/13/14/1182591314.db2.gz MDUTVUNROMXPQN-KRWDZBQOSA-N 1 0 317.477 3.023 20 10 DGCDRO Cc1cc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)ccc1N(C)C ZINC001460740444 1182714685 /nfs/dbraw/zinc/71/46/85/1182714685.db2.gz DMZQDTJSXNFTCJ-PUZFROQSSA-N 1 0 310.441 3.201 20 10 DGCDRO CCN(CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C1CC1 ZINC001461131063 1182771658 /nfs/dbraw/zinc/77/16/58/1182771658.db2.gz QCAFAQPDSYIMKE-UHFFFAOYSA-N 1 0 320.477 3.272 20 10 DGCDRO COc1ccc(C[NH2+]CC2(C(C)C)CC2)cc1Cn1cccn1 ZINC001461261729 1182788371 /nfs/dbraw/zinc/78/83/71/1182788371.db2.gz AVCJGMJTQSISIY-UHFFFAOYSA-N 1 0 313.445 3.466 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001461267814 1182789936 /nfs/dbraw/zinc/78/99/36/1182789936.db2.gz QNMNUJTUXHLQGT-MRUHUIDDSA-N 1 0 309.475 3.173 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1O ZINC001462010478 1182895805 /nfs/dbraw/zinc/89/58/05/1182895805.db2.gz FNEFHTIOANKQQI-LJQANCHMSA-N 1 0 311.425 3.398 20 10 DGCDRO CCc1cccc(C[NH+]2CCN(Cc3cccs3)CC2)c1O ZINC001462036837 1182900192 /nfs/dbraw/zinc/90/01/92/1182900192.db2.gz WDIDOJLEJVZLKX-UHFFFAOYSA-N 1 0 316.470 3.334 20 10 DGCDRO COC(=O)Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001462475000 1182958417 /nfs/dbraw/zinc/95/84/17/1182958417.db2.gz BFSRSJJDOMUYNE-UHFFFAOYSA-N 1 0 319.788 3.051 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)cc1F ZINC001473950135 1183836316 /nfs/dbraw/zinc/83/63/16/1183836316.db2.gz DXWMEQTUYORLGW-KRWDZBQOSA-N 1 0 318.440 3.293 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCCN2CCCCC2=O)cc1 ZINC001473987449 1183844658 /nfs/dbraw/zinc/84/46/58/1183844658.db2.gz VVXKLZKDBHQMAE-UHFFFAOYSA-N 1 0 317.477 3.025 20 10 DGCDRO CCn1cnc(Cl)c1C[NH2+]CCCSc1nccs1 ZINC001474018452 1183850973 /nfs/dbraw/zinc/85/09/73/1183850973.db2.gz OBBYLQBPBYGBJA-UHFFFAOYSA-N 1 0 316.883 3.285 20 10 DGCDRO CO[C@]1(C)C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001474022517 1183852867 /nfs/dbraw/zinc/85/28/67/1183852867.db2.gz XQYZTRBRERCVJC-DOTOQJQBSA-N 1 0 312.404 3.324 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC001474087100 1183864959 /nfs/dbraw/zinc/86/49/59/1183864959.db2.gz OLVVXPIFBMIUGH-HNNXBMFYSA-N 1 0 314.429 3.262 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1 ZINC001474246691 1183889378 /nfs/dbraw/zinc/88/93/78/1183889378.db2.gz COOOOIPYAFHCIS-MPTZACGUSA-N 1 0 300.446 3.457 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2C[C@@]2(C)Br)cc1 ZINC001474307430 1183902403 /nfs/dbraw/zinc/90/24/03/1183902403.db2.gz LXNVTJNSUGXOEJ-DZGCQCFKSA-N 1 0 311.267 3.358 20 10 DGCDRO COc1cc(C)c(C[N@H+](CCCO)Cc2ccccc2)c(O)c1 ZINC001474368329 1183910709 /nfs/dbraw/zinc/91/07/09/1183910709.db2.gz ZODIGXRWHUBABI-UHFFFAOYSA-N 1 0 315.413 3.094 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(Cl)cc1O ZINC001474395976 1183914647 /nfs/dbraw/zinc/91/46/47/1183914647.db2.gz ANWJFYXBADAWCB-BBRMVZONSA-N 1 0 311.809 3.257 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc3c(ccnc3Cl)o2)c1O ZINC001474501180 1183932105 /nfs/dbraw/zinc/93/21/05/1183932105.db2.gz VUOFMSAEBFVHDU-UHFFFAOYSA-N 1 0 318.760 3.485 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)cc(OC)cc2O)c1 ZINC001474505315 1183932951 /nfs/dbraw/zinc/93/29/51/1183932951.db2.gz RKWFHIREBNMGRI-GFCCVEGCSA-N 1 0 317.385 3.274 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC001474541173 1183937277 /nfs/dbraw/zinc/93/72/77/1183937277.db2.gz JYSXVOHLINQHLC-KRWDZBQOSA-N 1 0 303.377 3.478 20 10 DGCDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001474573104 1183943832 /nfs/dbraw/zinc/94/38/32/1183943832.db2.gz UDTNCQVKRJQVQJ-GUYCJALGSA-N 1 0 324.415 3.470 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)C2)cc1 ZINC001474624298 1183951179 /nfs/dbraw/zinc/95/11/79/1183951179.db2.gz PPKJQEAVTZGGNN-QGWWYQLQSA-N 1 0 300.446 3.442 20 10 DGCDRO COC(=O)c1c(C[NH2+][C@@H]2CC[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001474707768 1183965535 /nfs/dbraw/zinc/96/55/35/1183965535.db2.gz HCCIBBJSTNBQIW-DGCLKSJQSA-N 1 0 318.392 3.382 20 10 DGCDRO COC(=O)c1c(C[NH2+][C@H]2CC[C@H](C)C2)c2cc(F)ccc2n1C ZINC001474707767 1183965692 /nfs/dbraw/zinc/96/56/92/1183965692.db2.gz HCCIBBJSTNBQIW-AAEUAGOBSA-N 1 0 318.392 3.382 20 10 DGCDRO CCCSC[C@@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001474741857 1183971305 /nfs/dbraw/zinc/97/13/05/1183971305.db2.gz LYLYVNBPKSEHIN-QAPCUYQASA-N 1 0 323.550 3.477 20 10 DGCDRO C[C@H]1CC[C@](CO)([NH2+]Cc2cc(F)ccc2O)c2ccccc21 ZINC001474757747 1183973495 /nfs/dbraw/zinc/97/34/95/1183973495.db2.gz ZGEULSRFLJPTMP-ORAYPTAESA-N 1 0 315.388 3.406 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC(C)C)cc1C ZINC001505547938 1186101193 /nfs/dbraw/zinc/10/11/93/1186101193.db2.gz QXWDWXZGDUBNNJ-CABCVRRESA-N 1 0 306.450 3.033 20 10 DGCDRO CC/C(C)=C(\C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001539707385 1188199932 /nfs/dbraw/zinc/19/99/32/1188199932.db2.gz RDXPSTGOAUOBCN-LGHUBQEGSA-N 1 0 317.477 3.218 20 10 DGCDRO CCC(=CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)CC ZINC001616858238 1193549738 /nfs/dbraw/zinc/54/97/38/1193549738.db2.gz JJSINMZCQAMYIG-SFHVURJKSA-N 1 0 317.477 3.218 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001544580118 1188400289 /nfs/dbraw/zinc/40/02/89/1188400289.db2.gz FZASDOHLBSNNRT-UHFFFAOYSA-N 1 0 319.493 3.127 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)cc1 ZINC001559666921 1189228419 /nfs/dbraw/zinc/22/84/19/1189228419.db2.gz DRQUYMKIKSBAMY-SFHVURJKSA-N 1 0 318.461 3.022 20 10 DGCDRO CC[C@@H](C)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001560083131 1189275894 /nfs/dbraw/zinc/27/58/94/1189275894.db2.gz QLLKUKIRFWWIPD-HUUCEWRRSA-N 1 0 306.450 3.260 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C2CCC3(CC2)OCCO3)c(Cl)c1 ZINC001560271702 1189303779 /nfs/dbraw/zinc/30/37/79/1189303779.db2.gz XUDNRQQAFDDGRY-UHFFFAOYSA-N 1 0 311.809 3.129 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc3nccn32)cc1 ZINC001560274537 1189303956 /nfs/dbraw/zinc/30/39/56/1189303956.db2.gz MCNWCFCIHWOHCS-UHFFFAOYSA-N 1 0 308.429 3.470 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCOc2ccc(F)c(F)c2)cc1F ZINC001560324269 1189312084 /nfs/dbraw/zinc/31/20/84/1189312084.db2.gz AFQNVEKEPMSDAY-UHFFFAOYSA-N 1 0 324.346 3.339 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)C(=O)NC(C)C)cc1 ZINC001560505125 1189334184 /nfs/dbraw/zinc/33/41/84/1189334184.db2.gz MDGXQXIKUWGZRB-INIZCTEOSA-N 1 0 319.493 3.316 20 10 DGCDRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001560562593 1189339841 /nfs/dbraw/zinc/33/98/41/1189339841.db2.gz BKWOSDCTHKWCDL-LJQANCHMSA-N 1 0 308.425 3.288 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Br)CCCCO1 ZINC001560606368 1189347482 /nfs/dbraw/zinc/34/74/82/1189347482.db2.gz PVLSKVDEADZXNO-AWEZNQCLSA-N 1 0 314.223 3.204 20 10 DGCDRO Cc1ccc(C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c(O)c1 ZINC001560633140 1189352038 /nfs/dbraw/zinc/35/20/38/1189352038.db2.gz KBNIQYLKHKXHMC-LJQANCHMSA-N 1 0 310.441 3.407 20 10 DGCDRO CC[C@@H](C)[C@H](C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001560648966 1189356194 /nfs/dbraw/zinc/35/61/94/1189356194.db2.gz ZIXROKODJZAUCN-APWZRJJASA-N 1 0 320.477 3.268 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2cc(F)ccc2O)c(N2CCCC2)n1 ZINC001560744283 1189372575 /nfs/dbraw/zinc/37/25/75/1189372575.db2.gz JRIYBSFMPDLTEZ-UHFFFAOYSA-N 1 0 315.392 3.125 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCOc3ccc(C)cc3C2)c(O)c1 ZINC001560824979 1189389574 /nfs/dbraw/zinc/38/95/74/1189389574.db2.gz YEGYEXCQTSRKKC-UHFFFAOYSA-N 1 0 313.397 3.412 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC(C)(C)C2(O)CCCC2)c(O)c1 ZINC001560886591 1189401118 /nfs/dbraw/zinc/40/11/18/1189401118.db2.gz GUJOLRNRPDEFPX-UHFFFAOYSA-N 1 0 307.434 3.130 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001560947861 1189409805 /nfs/dbraw/zinc/40/98/05/1189409805.db2.gz JSRMRLQWLRVZFU-ZBFHGGJFSA-N 1 0 311.809 3.257 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001561038442 1189424365 /nfs/dbraw/zinc/42/43/65/1189424365.db2.gz OHDUJROPKZZSLT-CABCVRRESA-N 1 0 305.418 3.301 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)N(C)C)cc1 ZINC001561040076 1189424669 /nfs/dbraw/zinc/42/46/69/1189424669.db2.gz JLPLBUIZDLYJRC-QEEHTWDDSA-N 1 0 315.505 3.381 20 10 DGCDRO CC/C(C)=C/C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567214034 1190074544 /nfs/dbraw/zinc/07/45/44/1190074544.db2.gz JFISKJWGRSUFTR-WSYSLRRZSA-N 1 0 318.461 3.344 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](NC(C)=O)C2CCCCC2)cc1C ZINC001568340507 1190496854 /nfs/dbraw/zinc/49/68/54/1190496854.db2.gz RDZPERMKCPDTDX-SFHVURJKSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)C(C)C)C(C)(C)C)cc1C ZINC001571619284 1191065387 /nfs/dbraw/zinc/06/53/87/1191065387.db2.gz NVXPEPOBWILTMK-QGZVFWFLSA-N 1 0 320.477 3.280 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H]1C1CC1 ZINC001575243603 1191469758 /nfs/dbraw/zinc/46/97/58/1191469758.db2.gz KDYZIYZTXDZTDH-DLBZAZTESA-N 1 0 316.445 3.069 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC001620481897 1193772069 /nfs/dbraw/zinc/77/20/69/1193772069.db2.gz UZNKASBQMADKHY-WOJBJXKFSA-N 1 0 310.441 3.451 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC001620746221 1193797364 /nfs/dbraw/zinc/79/73/64/1193797364.db2.gz DSDVNXLEAKKQQZ-VQTJNVASSA-N 1 0 306.409 3.235 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1n1ccnc1 ZINC001621157503 1193809839 /nfs/dbraw/zinc/80/98/39/1193809839.db2.gz MNSKINRTPOPQPJ-SWLSCSKDSA-N 1 0 305.809 3.325 20 10 DGCDRO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001621243538 1193821584 /nfs/dbraw/zinc/82/15/84/1193821584.db2.gz MDRHQMRZJSRSSR-VFNWGFHPSA-N 1 0 323.845 3.255 20 10 DGCDRO COc1cc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001621272017 1193825764 /nfs/dbraw/zinc/82/57/64/1193825764.db2.gz RNMINDBPRWVBGS-KGLIPLIRSA-N 1 0 320.477 3.223 20 10 DGCDRO CCc1cccc(CN(CC[NH3+])c2ccc3ccccc3n2)c1O ZINC001621395441 1193837700 /nfs/dbraw/zinc/83/77/00/1193837700.db2.gz BDHXKXHKZRWLCF-UHFFFAOYSA-N 1 0 321.424 3.468 20 10 DGCDRO OC[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccc(F)cc1F ZINC001621452032 1193844613 /nfs/dbraw/zinc/84/46/13/1193844613.db2.gz KSKJKNBBAVDSDH-AWEZNQCLSA-N 1 0 313.731 3.147 20 10 DGCDRO C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001621458092 1193845573 /nfs/dbraw/zinc/84/55/73/1193845573.db2.gz WXKDPIWBAGMBSJ-SWLSCSKDSA-N 1 0 312.404 3.223 20 10 DGCDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(F)ccc3O)C2)cc1 ZINC001621490376 1193849736 /nfs/dbraw/zinc/84/97/36/1193849736.db2.gz ZIOGWIPGMUDCNL-GOSISDBHSA-N 1 0 314.404 3.204 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1nc2c(s1)CCC2 ZINC001621517533 1193852905 /nfs/dbraw/zinc/85/29/05/1193852905.db2.gz HQSVZDHEGNZINZ-UHFFFAOYSA-N 1 0 315.486 3.339 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC001621522533 1193853686 /nfs/dbraw/zinc/85/36/86/1193853686.db2.gz FCJLMPJPDNAUDH-OKILXGFUSA-N 1 0 321.486 3.493 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2cc3ccccc3[nH]c2=O)c1O ZINC001621572296 1193860174 /nfs/dbraw/zinc/86/01/74/1193860174.db2.gz UOLWITUNAFNJSF-UHFFFAOYSA-N 1 0 324.380 3.253 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001635969294 1194582756 /nfs/dbraw/zinc/58/27/56/1194582756.db2.gz OEXAOBKGCPNJHI-QGZVFWFLSA-N 1 0 312.413 3.034 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC001640222695 1194802508 /nfs/dbraw/zinc/80/25/08/1194802508.db2.gz QPXSHRZUKZMOCO-AWEZNQCLSA-N 1 0 313.445 3.082 20 10 DGCDRO Cc1cc(C[N@@H+]2CCN(C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC001642589573 1194921364 /nfs/dbraw/zinc/92/13/64/1194921364.db2.gz PJBJXOZYMOYGLU-KRWDZBQOSA-N 1 0 301.478 3.121 20 10 DGCDRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccccc1O ZINC001643742226 1195051513 /nfs/dbraw/zinc/05/15/13/1195051513.db2.gz ULGSKEIUNRCHGU-CYBMUJFWSA-N 1 0 314.385 3.072 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)cc1 ZINC001643956057 1195066899 /nfs/dbraw/zinc/06/68/99/1195066899.db2.gz VHTWDPSOPSHXKV-IBGZPJMESA-N 1 0 318.461 3.449 20 10 DGCDRO Cc1cc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)ccc1N1CCCCC1 ZINC001647806501 1195254964 /nfs/dbraw/zinc/25/49/64/1195254964.db2.gz IFPJHZUGZKIGJK-FXAWDEMLSA-N 1 0 316.489 3.436 20 10 DGCDRO Clc1ccccc1OCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001650824909 1195386729 /nfs/dbraw/zinc/38/67/29/1195386729.db2.gz HHOMVHBTOKZVEP-UHFFFAOYSA-N 1 0 303.789 3.444 20 10 DGCDRO Cc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1F ZINC001650839930 1195387587 /nfs/dbraw/zinc/38/75/87/1195387587.db2.gz YYVWZEZLEPWKCK-UHFFFAOYSA-N 1 0 313.420 3.498 20 10 DGCDRO CC(C)C(C)(C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001650964082 1195399034 /nfs/dbraw/zinc/39/90/34/1195399034.db2.gz NNJWKLBLVCOCEN-UHFFFAOYSA-N 1 0 321.484 3.349 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnn2-c2ccccc2)c1 ZINC001651273810 1195436132 /nfs/dbraw/zinc/43/61/32/1195436132.db2.gz VDOKLEXXMXBRAA-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1C ZINC001651532018 1195475989 /nfs/dbraw/zinc/47/59/89/1195475989.db2.gz VBHUBSSWYPUBTJ-AWEZNQCLSA-N 1 0 316.367 3.120 20 10 DGCDRO COC(=O)[C@@H](C)C[N@H+](Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001652170420 1195557958 /nfs/dbraw/zinc/55/79/58/1195557958.db2.gz ZGQQBLVBTBISQN-ZDUSSCGKSA-N 1 0 305.418 3.289 20 10 DGCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001652220492 1195564409 /nfs/dbraw/zinc/56/44/09/1195564409.db2.gz CBOUIUCJUHEKFY-WQGACYEGSA-N 1 0 312.404 3.012 20 10 DGCDRO CCc1cccc(C[N@@H+]2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)c1O ZINC001652739559 1195645228 /nfs/dbraw/zinc/64/52/28/1195645228.db2.gz HVWBAJFMGFQOSK-VQIMIIECSA-N 1 0 317.429 3.120 20 10 DGCDRO CN(C)C(=O)c1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC001652759825 1195647251 /nfs/dbraw/zinc/64/72/51/1195647251.db2.gz OIXWMLSSCSTGIB-UHFFFAOYSA-N 1 0 318.804 3.037 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001652775574 1195650534 /nfs/dbraw/zinc/65/05/34/1195650534.db2.gz LAOXLOPAAOUBEP-OCCSQVGLSA-N 1 0 321.417 3.001 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccnc(-c3ccccn3)n2)c1O ZINC001653026104 1195681539 /nfs/dbraw/zinc/68/15/39/1195681539.db2.gz XREUSEOUPCFVLD-UHFFFAOYSA-N 1 0 320.396 3.096 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1F ZINC001653749225 1195748232 /nfs/dbraw/zinc/74/82/32/1195748232.db2.gz GWWRUQHCANYGPH-OWCLPIDISA-N 1 0 318.436 3.393 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c1O ZINC001653952732 1195762404 /nfs/dbraw/zinc/76/24/04/1195762404.db2.gz GHRSRFLJSWFLRA-MRXNPFEDSA-N 1 0 323.433 3.451 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1 ZINC001654650724 1195827903 /nfs/dbraw/zinc/82/79/03/1195827903.db2.gz WGNHZTKAUFCPQN-LJQANCHMSA-N 1 0 318.461 3.306 20 10 DGCDRO CN(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccsc1 ZINC001655231763 1195894621 /nfs/dbraw/zinc/89/46/21/1195894621.db2.gz WMPDDNYELDXXQJ-QGZVFWFLSA-N 1 0 316.470 3.466 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)cc1F ZINC001655517209 1195926470 /nfs/dbraw/zinc/92/64/70/1195926470.db2.gz JEBOTPRFRVYRIC-UHFFFAOYSA-N 1 0 301.361 3.102 20 10 DGCDRO CC1CCN(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001656044820 1195991548 /nfs/dbraw/zinc/99/15/48/1195991548.db2.gz NLKBFXHLIRCLPE-PLNGDYQASA-N 1 0 301.478 3.087 20 10 DGCDRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C2 ZINC001656043205 1195991724 /nfs/dbraw/zinc/99/17/24/1195991724.db2.gz GWUYJJUSSJECSE-MRXNPFEDSA-N 1 0 313.397 3.106 20 10 DGCDRO CO[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C12CCC2 ZINC001656405425 1196037043 /nfs/dbraw/zinc/03/70/43/1196037043.db2.gz OTLUXDUUNPFATO-UUNORDMYSA-N 1 0 300.446 3.313 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1c(F)cccc1Cl ZINC001656583351 1196052299 /nfs/dbraw/zinc/05/22/99/1196052299.db2.gz JNSKHSJGCXLZKN-OAHLLOKOSA-N 1 0 321.779 3.237 20 10 DGCDRO CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001657000137 1196091596 /nfs/dbraw/zinc/09/15/96/1196091596.db2.gz MJOJXZDLKMJHHB-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]([S@@](C)=O)C2)cc1C ZINC001657085239 1196103403 /nfs/dbraw/zinc/10/34/03/1196103403.db2.gz JMQWWYACHHWWSU-WHSLLNHNSA-N 1 0 309.475 3.173 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2Cc3ccccc3O2)cc1F ZINC001657120793 1196107937 /nfs/dbraw/zinc/10/79/37/1196107937.db2.gz RHXDMQZGVZWVDH-CQSZACIVSA-N 1 0 318.367 3.124 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)C[S@@](C)=O)cc1 ZINC001657159084 1196113244 /nfs/dbraw/zinc/11/32/44/1196113244.db2.gz DADBRRYPRYQLRQ-QVKFZJNVSA-N 1 0 310.507 3.170 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1 ZINC001657312867 1196129494 /nfs/dbraw/zinc/12/94/94/1196129494.db2.gz QBWXBPGNYQPTSY-FNQPIQQGSA-N 1 0 315.505 3.476 20 10 DGCDRO CC(C)[NH+](CCCNCc1ccc(N(C)C)c(F)c1)C(C)C ZINC001657364277 1196133436 /nfs/dbraw/zinc/13/34/36/1196133436.db2.gz DBYJFASVHQJMDM-UHFFFAOYSA-N 1 0 309.473 3.490 20 10 DGCDRO CCC[N@H+](CC)C[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001657474556 1196145788 /nfs/dbraw/zinc/14/57/88/1196145788.db2.gz XXHPPWKHMMMTQB-ZDUSSCGKSA-N 1 0 313.436 3.241 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657557600 1196154765 /nfs/dbraw/zinc/15/47/65/1196154765.db2.gz ILJRKCJIHBUBFY-APWZRJJASA-N 1 0 317.429 3.223 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@H](OC)C3CCC3)CC2)cc1 ZINC001657876504 1196189572 /nfs/dbraw/zinc/18/95/72/1196189572.db2.gz UDLBLTRDMUNXPY-IBGZPJMESA-N 1 0 318.461 3.022 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1F ZINC001657926698 1196193812 /nfs/dbraw/zinc/19/38/12/1196193812.db2.gz YQIAVVQMKYGWPX-BNLOLNQZSA-N 1 0 310.388 3.078 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1F ZINC001657926699 1196194218 /nfs/dbraw/zinc/19/42/18/1196194218.db2.gz YQIAVVQMKYGWPX-BTJLNZGRSA-N 1 0 310.388 3.078 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cccc3c2OCC3)cc1 ZINC001658052062 1196206266 /nfs/dbraw/zinc/20/62/66/1196206266.db2.gz ZLZWXUUSBMZEQX-PLNGDYQASA-N 1 0 308.425 3.491 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC001658092353 1196211348 /nfs/dbraw/zinc/21/13/48/1196211348.db2.gz CSQLEXMCDMYHGX-GHOSXJJBSA-N 1 0 302.462 3.393 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c(O)c1 ZINC001658402310 1196251574 /nfs/dbraw/zinc/25/15/74/1196251574.db2.gz CYRNSODCTYOGIV-QZTJIDSGSA-N 1 0 301.361 3.436 20 10 DGCDRO CC[C@H](C)[C@@H](C[N@H+](C)CCN(C)c1ccc(OC)cc1)OC ZINC001658486675 1196263040 /nfs/dbraw/zinc/26/30/40/1196263040.db2.gz GWOUXSJNIAYQQS-MAUKXSAKSA-N 1 0 308.466 3.124 20 10 DGCDRO COC(=O)c1c(C[NH2+]CCC(C)(C)F)c2cc(F)ccc2n1C ZINC001658518807 1196267986 /nfs/dbraw/zinc/26/79/86/1196267986.db2.gz QNUQNDNCPRXLKC-UHFFFAOYSA-N 1 0 324.371 3.332 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC001658540973 1196270697 /nfs/dbraw/zinc/27/06/97/1196270697.db2.gz SOPCZMGZLXUMRI-KRWDZBQOSA-N 1 0 316.445 3.102 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC001658648813 1196284617 /nfs/dbraw/zinc/28/46/17/1196284617.db2.gz IWRBLJWFYIDNOT-OALUTQOASA-N 1 0 302.462 3.498 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)c(O)c1 ZINC001658789199 1196301460 /nfs/dbraw/zinc/30/14/60/1196301460.db2.gz YLMORHGTJFCTBA-GOSISDBHSA-N 1 0 307.397 3.428 20 10 DGCDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001658833393 1196306530 /nfs/dbraw/zinc/30/65/30/1196306530.db2.gz QYOFHZULHCUOQY-CVEARBPZSA-N 1 0 324.852 3.267 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC2(Br)CC2)cc1F ZINC001659020813 1196333765 /nfs/dbraw/zinc/33/37/65/1196333765.db2.gz NDANCSCXDNLKRE-UHFFFAOYSA-N 1 0 319.193 3.048 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC001659050616 1196337998 /nfs/dbraw/zinc/33/79/98/1196337998.db2.gz UZPYLUGAVGKNPV-OAHLLOKOSA-N 1 0 313.445 3.314 20 10 DGCDRO CCC[N@H+](CCN1CCCCC1)Cc1c(C)cc(OC)cc1O ZINC001659182612 1196356565 /nfs/dbraw/zinc/35/65/65/1196356565.db2.gz BDIAQFPKGMIMHX-UHFFFAOYSA-N 1 0 320.477 3.407 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2cnc(C(C)C)nc2)c(O)c1 ZINC001659564350 1196396338 /nfs/dbraw/zinc/39/63/38/1196396338.db2.gz NANHGQADXJYQSC-UHFFFAOYSA-N 1 0 315.417 3.255 20 10 DGCDRO CC[NH+](CC)CCC[N@H+](CC)Cc1cc(F)cc(F)c1[O-] ZINC001659699946 1196407216 /nfs/dbraw/zinc/40/72/16/1196407216.db2.gz SXFGRVBGSLFLEW-UHFFFAOYSA-N 1 0 300.393 3.224 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2cccc3c2CCOC3)c(O)c1 ZINC001659756833 1196411771 /nfs/dbraw/zinc/41/17/71/1196411771.db2.gz CGNNRZXHRNVOBR-UHFFFAOYSA-N 1 0 313.397 3.072 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)c1ccccc1O ZINC001659815755 1196417240 /nfs/dbraw/zinc/41/72/40/1196417240.db2.gz SOHYNNHOCPIRRL-LBPRGKRZSA-N 1 0 302.349 3.211 20 10 DGCDRO COc1cc(C)c(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c(O)c1 ZINC001659965974 1196433135 /nfs/dbraw/zinc/43/31/35/1196433135.db2.gz QBVWPEOSGHIERE-UHFFFAOYSA-N 1 0 317.433 3.101 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3oc(=O)[nH]c3c2)cc1Cl ZINC001659972994 1196433705 /nfs/dbraw/zinc/43/37/05/1196433705.db2.gz TVSPGBKXYKKUJJ-UHFFFAOYSA-N 1 0 318.760 3.491 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c(O)c1 ZINC001660109594 1196447451 /nfs/dbraw/zinc/44/74/51/1196447451.db2.gz JDGOMIPPQAKESW-YOEHRIQHSA-N 1 0 305.418 3.100 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001660370242 1196476107 /nfs/dbraw/zinc/47/61/07/1196476107.db2.gz PXHDTFHGWCAQGY-CALCHBBNSA-N 1 0 307.821 3.438 20 10 DGCDRO Cc1cc(CC[NH2+]Cc2cccnc2N)c(C)n1-c1ccccc1 ZINC001660412964 1196481252 /nfs/dbraw/zinc/48/12/52/1196481252.db2.gz MJCLBHCCJNDIEC-UHFFFAOYSA-N 1 0 320.440 3.404 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)C1 ZINC001660633530 1196506153 /nfs/dbraw/zinc/50/61/53/1196506153.db2.gz YPROIZQDISEYDJ-WKILWMFISA-N 1 0 318.461 3.271 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)cc1OC ZINC001660796025 1196525803 /nfs/dbraw/zinc/52/58/03/1196525803.db2.gz HFFFFMJXGOGOMJ-OUFKLWKOSA-N 1 0 315.413 3.053 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCSC(F)(F)F)cc1F ZINC001660930511 1196543529 /nfs/dbraw/zinc/54/35/29/1196543529.db2.gz AGOUNBDRFRUXOZ-UHFFFAOYSA-N 1 0 314.323 3.373 20 10 DGCDRO O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCc2ccccc21 ZINC001661387211 1196599967 /nfs/dbraw/zinc/59/99/67/1196599967.db2.gz ZCRMCZBJTJAJGX-OAQYLSRUSA-N 1 0 323.436 3.325 20 10 DGCDRO CC[C@H]1CCCC[N@@H+]1CCNCc1ccc(N(C)C)c(F)c1 ZINC001661391964 1196600973 /nfs/dbraw/zinc/60/09/73/1196600973.db2.gz XGSWVLOQOGEYQT-INIZCTEOSA-N 1 0 307.457 3.246 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1 ZINC001661396928 1196601588 /nfs/dbraw/zinc/60/15/88/1196601588.db2.gz KTLZJWWNCVAWKX-MRXNPFEDSA-N 1 0 323.440 3.404 20 10 DGCDRO c1ccc(NCCC[NH2+]Cc2ccc(N3CCCC3)cc2)nc1 ZINC001661643167 1196627378 /nfs/dbraw/zinc/62/73/78/1196627378.db2.gz VKXVIDVZAWYWLB-UHFFFAOYSA-N 1 0 310.445 3.274 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1F ZINC001662386441 1196715211 /nfs/dbraw/zinc/71/52/11/1196715211.db2.gz QIOYRWIHJBMPRP-KRWDZBQOSA-N 1 0 307.457 3.102 20 10 DGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C12CCC2 ZINC001663821126 1196948749 /nfs/dbraw/zinc/94/87/49/1196948749.db2.gz CVSBZEUZMLHIKM-ZWKOTPCHSA-N 1 0 319.445 3.489 20 10 DGCDRO CN(C)c1ccc(/C=C/CN(C)CC2([NH+](C)C)CCC2)cc1 ZINC001664375430 1196993154 /nfs/dbraw/zinc/99/31/54/1196993154.db2.gz XFAXURDRUMOCDD-SOFGYWHQSA-N 1 0 301.478 3.182 20 10 DGCDRO COc1cc(C)c(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC001664441109 1196999503 /nfs/dbraw/zinc/99/95/03/1196999503.db2.gz VVUAUSNFRJRKBE-ZIAGYGMSSA-N 1 0 307.434 3.393 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H](CO)CC2CCOCC2)c1 ZINC001664493196 1197005891 /nfs/dbraw/zinc/00/58/91/1197005891.db2.gz WFSDVRXDXGEPFH-MRXNPFEDSA-N 1 0 321.461 3.030 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(O)c1 ZINC001665290439 1197119384 /nfs/dbraw/zinc/11/93/84/1197119384.db2.gz VKZYYMYNXMABDP-KFKAGJAMSA-N 1 0 313.372 3.276 20 10 DGCDRO Cc1ccc(NCC[NH2+]Cc2ccc3ccccc3c2O)nc1 ZINC001665723752 1197181857 /nfs/dbraw/zinc/18/18/57/1197181857.db2.gz NBIYQNJBGNMDSP-UHFFFAOYSA-N 1 0 307.397 3.451 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)C2CC2)cc1C ZINC001668015043 1197395534 /nfs/dbraw/zinc/39/55/34/1197395534.db2.gz DWQCRWWZSZCTPG-LSDHHAIUSA-N 1 0 318.461 3.034 20 10 DGCDRO CC/C=C(\C)C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001668731770 1197427187 /nfs/dbraw/zinc/42/71/87/1197427187.db2.gz LPKDKTAEECZWBW-FTLCMBAGSA-N 1 0 316.445 3.122 20 10 DGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H](C)C(C)C)cc1C ZINC001754401091 1200253318 /nfs/dbraw/zinc/25/33/18/1200253318.db2.gz QCXVUOGHTNMHTA-MRXNPFEDSA-N 1 0 320.477 3.234 20 10 DGCDRO CC[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001690143641 1200420480 /nfs/dbraw/zinc/42/04/80/1200420480.db2.gz YFLLBGCUCVVZOZ-SUMWQHHRSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCC2CCC2)cc1C ZINC001690564670 1200628216 /nfs/dbraw/zinc/62/82/16/1200628216.db2.gz STGJTQNEEOVDDX-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CC/C=C(\C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001690833286 1200743011 /nfs/dbraw/zinc/74/30/11/1200743011.db2.gz BLINVRNJWDAAIJ-SNQWNFELSA-N 1 0 318.461 3.344 20 10 DGCDRO CC[C@@H](C)C(=O)N[C@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699083135 1201709429 /nfs/dbraw/zinc/70/94/29/1201709429.db2.gz YZJIYZPWOBLKGI-UKRRQHHQSA-N 1 0 306.450 3.034 20 10 DGCDRO CCCCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001752929879 1202016069 /nfs/dbraw/zinc/01/60/69/1202016069.db2.gz QFTRLODMZLYAMZ-QGZVFWFLSA-N 1 0 318.461 3.132 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCNC(=O)OC(C)(C)C ZINC000230660213 1202598638 /nfs/dbraw/zinc/59/86/38/1202598638.db2.gz LKXOVHJNZNNSKR-STQMWFEESA-N 1 0 320.433 3.363 20 10 DGCDRO COc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)c(O)c1 ZINC000155974898 1202599521 /nfs/dbraw/zinc/59/95/21/1202599521.db2.gz BSXZRWHGHHWURR-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1Cc1ccccc1 ZINC000237494463 1202675547 /nfs/dbraw/zinc/67/55/47/1202675547.db2.gz NDHZPSXQJVBARO-UZLBHIALSA-N 1 0 322.452 3.374 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)cc1 ZINC000273077760 1202764118 /nfs/dbraw/zinc/76/41/18/1202764118.db2.gz IIBYKTMOQKQUGZ-FQEVSTJZSA-N 1 0 320.440 3.365 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)C2CCC2)cc1C ZINC001714247029 1202846262 /nfs/dbraw/zinc/84/62/62/1202846262.db2.gz OIMHKJMVDZXCLP-LSDHHAIUSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@@H](CNC(=O)CC1CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715054011 1203256615 /nfs/dbraw/zinc/25/66/15/1203256615.db2.gz SHIIVXJKAJEGNX-KRWDZBQOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2CC(C)C2)cc1C ZINC001715636068 1203376521 /nfs/dbraw/zinc/37/65/21/1203376521.db2.gz OZGXYMIWEVUPEL-GNHJJJEISA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)/C=C\C(C)(C)C)cc1C ZINC001715971476 1203413742 /nfs/dbraw/zinc/41/37/42/1203413742.db2.gz VBKMAIGBBLTDEL-KVPUOBJLSA-N 1 0 318.461 3.200 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)C(C)C)cc1C ZINC001716396676 1203466413 /nfs/dbraw/zinc/46/64/13/1203466413.db2.gz CDGMINDJKLIMNC-OAHLLOKOSA-N 1 0 320.477 3.280 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC2(C)CC2)cc1C ZINC001725101606 1204094775 /nfs/dbraw/zinc/09/47/75/1204094775.db2.gz HQPGNWDAJZPOGM-LSDHHAIUSA-N 1 0 318.461 3.177 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC(C)C)C2)cc1C ZINC001731469718 1204422988 /nfs/dbraw/zinc/42/29/88/1204422988.db2.gz NTPWSSDGKJTXBZ-CALCHBBNSA-N 1 0 318.461 3.177 20 10 DGCDRO CC/C(C)=C\C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732692744 1204929989 /nfs/dbraw/zinc/92/99/89/1204929989.db2.gz IEXOCOONCGCGSI-QBOMHBFWSA-N 1 0 318.461 3.344 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H](C)C(C)C ZINC001732799739 1204945818 /nfs/dbraw/zinc/94/58/18/1204945818.db2.gz PQMOCYYJJQEPQZ-INIZCTEOSA-N 1 0 320.477 3.234 20 10 DGCDRO CCC(CC)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732946785 1204962251 /nfs/dbraw/zinc/96/22/51/1204962251.db2.gz YZKLDRVHVJCYIV-CQSZACIVSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C=C2CCC2)cc1C ZINC001733970273 1205274768 /nfs/dbraw/zinc/27/47/68/1205274768.db2.gz OZYBCNGKVFXARS-HUUCEWRRSA-N 1 0 316.445 3.097 20 10 DGCDRO C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593267696 994591214 /nfs/dbraw/zinc/59/12/14/994591214.db2.gz RAPALNWJVLTPSJ-KGLIPLIRSA-N 1 0 320.433 3.006 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCC[C@@]1(O)C(F)(F)F ZINC001140057867 1081777089 /nfs/dbraw/zinc/77/70/89/1081777089.db2.gz QMYMYQPAPHICBX-YGRLFVJLSA-N 1 0 321.314 3.057 20 10 DGCDRO CCOCC(C)(C)[NH2+]Cc1ccc(Br)cc1O ZINC000691470613 1081858992 /nfs/dbraw/zinc/85/89/92/1081858992.db2.gz WRHMTIDCNCRABB-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000693067613 1081904333 /nfs/dbraw/zinc/90/43/33/1081904333.db2.gz XGBBAKLZJBWKRZ-NSHDSACASA-N 1 0 314.223 3.059 20 10 DGCDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc(Br)cc1O ZINC000691490022 1081923884 /nfs/dbraw/zinc/92/38/84/1081923884.db2.gz VFLPTDFLGPNWNO-NSHDSACASA-N 1 0 316.239 3.043 20 10 DGCDRO CCCO[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000706215855 1081928191 /nfs/dbraw/zinc/92/81/91/1081928191.db2.gz IQXBUZZQLCIMII-ZDUSSCGKSA-N 1 0 314.223 3.156 20 10 DGCDRO CCc1cccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1O ZINC000691513924 1081954503 /nfs/dbraw/zinc/95/45/03/1081954503.db2.gz QXTPKBNQYUCTBU-SREVYHEPSA-N 1 0 320.433 3.125 20 10 DGCDRO CN(c1ccc(OC(F)(F)C(F)(F)F)cc1)C(C)(C)C[NH3+] ZINC001170059868 1081972508 /nfs/dbraw/zinc/97/25/08/1081972508.db2.gz WIHOBCGVZUFXKL-UHFFFAOYSA-N 1 0 312.282 3.394 20 10 DGCDRO COC1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000707358436 1082253916 /nfs/dbraw/zinc/25/39/16/1082253916.db2.gz HINZEOKMJBYQKC-UHFFFAOYSA-N 1 0 314.223 3.202 20 10 DGCDRO CC[C@H]1C[C@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)CCO1 ZINC001170241880 1082325865 /nfs/dbraw/zinc/32/58/65/1082325865.db2.gz YTBBUPBOXTVKKC-SJORKVTESA-N 1 0 318.461 3.083 20 10 DGCDRO C[N@H+](Cc1ccc(CO)o1)Cc1ccc(N2CCCC2)cc1 ZINC001140682129 1082828229 /nfs/dbraw/zinc/82/82/29/1082828229.db2.gz VSDHCDUSAPALCE-UHFFFAOYSA-N 1 0 300.402 3.004 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)c(O)c1 ZINC001170676132 1083082425 /nfs/dbraw/zinc/08/24/25/1083082425.db2.gz WJNLQBSODAUSQR-CYBMUJFWSA-N 1 0 305.324 3.023 20 10 DGCDRO CC(C)(C)OC(=O)CC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161221 1083404190 /nfs/dbraw/zinc/40/41/90/1083404190.db2.gz PJDFEVTUOOBWGX-UHFFFAOYSA-N 1 0 321.417 3.042 20 10 DGCDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001204329092 1083655489 /nfs/dbraw/zinc/65/54/89/1083655489.db2.gz WTQSSPZOCYCUBT-YJBOKZPZSA-N 1 0 318.461 3.306 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC001182567493 1083754504 /nfs/dbraw/zinc/75/45/04/1083754504.db2.gz ZELWYIOMIJWGQS-HNNXBMFYSA-N 1 0 304.434 3.005 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC001183058983 1083870736 /nfs/dbraw/zinc/87/07/36/1083870736.db2.gz HZVWPXYTKBLATN-UHFFFAOYSA-N 1 0 314.473 3.452 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c(O)c1 ZINC001183980733 1084080567 /nfs/dbraw/zinc/08/05/67/1084080567.db2.gz DVQIUJDGISFYJS-CYBMUJFWSA-N 1 0 307.434 3.393 20 10 DGCDRO CCCC(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001268207988 1084328532 /nfs/dbraw/zinc/32/85/32/1084328532.db2.gz YYMFGPQBEXTOBA-MRXNPFEDSA-N 1 0 306.450 3.034 20 10 DGCDRO C[N@@H+]1CCC[C@H](C(=O)N(Cc2ccccc2)c2ccc(N)cc2)C1 ZINC001186359995 1084633528 /nfs/dbraw/zinc/63/35/28/1084633528.db2.gz HQLKNAJBHURLHW-KRWDZBQOSA-N 1 0 323.440 3.144 20 10 DGCDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(OC)cc3O)C2)cc1 ZINC000092783654 1084727297 /nfs/dbraw/zinc/72/72/97/1084727297.db2.gz UYWZYDAGYJEYHQ-HNNXBMFYSA-N 1 0 313.397 3.399 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC001461433645 1126194511 /nfs/dbraw/zinc/19/45/11/1126194511.db2.gz SNBRFXFIZSDMAW-SFHVURJKSA-N 1 0 322.452 3.488 20 10 DGCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001462095312 1126197342 /nfs/dbraw/zinc/19/73/42/1126197342.db2.gz NQYRVFMHZYRBAI-INIZCTEOSA-N 1 0 305.805 3.047 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC001658866698 1126263230 /nfs/dbraw/zinc/26/32/30/1126263230.db2.gz IXEHKPRQZCJCOM-MRXNPFEDSA-N 1 0 319.832 3.356 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C(C)C)cc1C ZINC001271128516 1086348337 /nfs/dbraw/zinc/34/83/37/1086348337.db2.gz CZFLNOPHRDOPCE-HOTGVXAUSA-N 1 0 320.477 3.232 20 10 DGCDRO COc1ccc2c(c1)C[C@@H]([N@H+](C)Cc1ccc(N(C)C)cc1)C2 ZINC001168285983 1087283130 /nfs/dbraw/zinc/28/31/30/1087283130.db2.gz IDYWMDONAYPPGI-IBGZPJMESA-N 1 0 310.441 3.360 20 10 DGCDRO CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1O ZINC001272619473 1088325894 /nfs/dbraw/zinc/32/58/94/1088325894.db2.gz WEGFARPZDAJIDD-LJQANCHMSA-N 1 0 316.445 3.149 20 10 DGCDRO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(C)ccc2O)C1=O ZINC001272623268 1088331559 /nfs/dbraw/zinc/33/15/59/1088331559.db2.gz YOBZNSMGWOKPCG-HNAYVOBHSA-N 1 0 316.445 3.066 20 10 DGCDRO CO[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@@H]1C ZINC000691679486 1088730963 /nfs/dbraw/zinc/73/09/63/1088730963.db2.gz SEFGXKSTJGWWJK-HZMBPMFUSA-N 1 0 314.223 3.012 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]34C[C@@H]3CC[NH2+]4)n2)cc1 ZINC001212341854 1089623301 /nfs/dbraw/zinc/62/33/01/1089623301.db2.gz ZUAPCZNGRDKACM-HNAYVOBHSA-N 1 0 320.396 3.353 20 10 DGCDRO CC/C(C)=C/C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001484991704 1089830721 /nfs/dbraw/zinc/83/07/21/1089830721.db2.gz JFISKJWGRSUFTR-UKYUDJEDSA-N 1 0 318.461 3.344 20 10 DGCDRO Cc1cc2ccccc2c(NCCc2cc(O)c(O)cc2O)[nH+]1 ZINC001157246642 1089889479 /nfs/dbraw/zinc/88/94/79/1089889479.db2.gz VKGILHAFWWCOBX-UHFFFAOYSA-N 1 0 310.353 3.315 20 10 DGCDRO CCCC[C@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001157378072 1089932723 /nfs/dbraw/zinc/93/27/23/1089932723.db2.gz CBDHJKKRVJXLNK-HNNXBMFYSA-N 1 0 320.477 3.426 20 10 DGCDRO CC/C=C(\C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485128754 1089980349 /nfs/dbraw/zinc/98/03/49/1089980349.db2.gz RONGOGVUQIEVKW-CRSTWVDOSA-N 1 0 318.461 3.343 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC001203315039 1090719119 /nfs/dbraw/zinc/71/91/19/1090719119.db2.gz GJTXIAMCVHOWLJ-UHFFFAOYSA-N 1 0 312.413 3.026 20 10 DGCDRO CCC[C@@H](CCO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001203379862 1090727755 /nfs/dbraw/zinc/72/77/55/1090727755.db2.gz QLVPOAJEBJCGSL-AWEZNQCLSA-N 1 0 309.450 3.339 20 10 DGCDRO Oc1ccccc1C[NH+]1CCN(C2(c3ccccc3)CC2)CC1 ZINC001203561698 1090757265 /nfs/dbraw/zinc/75/72/65/1090757265.db2.gz YAUIKJKBPICTGL-UHFFFAOYSA-N 1 0 308.425 3.199 20 10 DGCDRO COc1cccc(CCC[N@H+](C)Cc2cccc(OC)c2O)c1 ZINC001203596888 1090764198 /nfs/dbraw/zinc/76/41/98/1090764198.db2.gz RWFXKGBACIDHFQ-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c1O ZINC001203595511 1090764480 /nfs/dbraw/zinc/76/44/80/1090764480.db2.gz GOQRCMBWPUIFST-KRWDZBQOSA-N 1 0 313.397 3.192 20 10 DGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1O ZINC001203602130 1090765155 /nfs/dbraw/zinc/76/51/55/1090765155.db2.gz BQYFCJBSOIIQNW-VXGBXAGGSA-N 1 0 321.314 3.371 20 10 DGCDRO COc1ccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)c(O)c1 ZINC001203617220 1090767186 /nfs/dbraw/zinc/76/71/86/1090767186.db2.gz MLQYOPQAKNGQKD-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)c(O)c1 ZINC001203629434 1090768891 /nfs/dbraw/zinc/76/88/91/1090768891.db2.gz KGCUZZVDKBWRKA-QGZVFWFLSA-N 1 0 313.397 3.363 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c(O)c1 ZINC001203634561 1090769866 /nfs/dbraw/zinc/76/98/66/1090769866.db2.gz LYVCYMINQAEVNW-AWEZNQCLSA-N 1 0 321.417 3.097 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001203663717 1090776130 /nfs/dbraw/zinc/77/61/30/1090776130.db2.gz FJTTVIMXYNLDLU-CYBMUJFWSA-N 1 0 303.736 3.046 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c1 ZINC001203677949 1090779208 /nfs/dbraw/zinc/77/92/08/1090779208.db2.gz BRUHUGIMHFTYCA-QGZVFWFLSA-N 1 0 313.397 3.192 20 10 DGCDRO CCN(C(=O)C[NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1 ZINC001203689044 1090782110 /nfs/dbraw/zinc/78/21/10/1090782110.db2.gz CCHJTNIQTOFHFX-UHFFFAOYSA-N 1 0 312.413 3.146 20 10 DGCDRO COC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@@H]1CCCOC1 ZINC001203706599 1090785980 /nfs/dbraw/zinc/78/59/80/1090785980.db2.gz OEVYVCCZWMPIGH-NVXWUHKLSA-N 1 0 316.445 3.018 20 10 DGCDRO c1ccc([C@]2(C[NH2+]Cc3ccc4c(c3)CCO4)CCCO2)cc1 ZINC001203783184 1090802533 /nfs/dbraw/zinc/80/25/33/1090802533.db2.gz RLQVPVMUTAGNMV-HXUWFJFHSA-N 1 0 309.409 3.417 20 10 DGCDRO COc1cccc(CCC[N@H+](C)Cc2ccc(O)c(O)c2)c1 ZINC001203880753 1090826374 /nfs/dbraw/zinc/82/63/74/1090826374.db2.gz YOJHIRQDYBLSGC-UHFFFAOYSA-N 1 0 301.386 3.171 20 10 DGCDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203881105 1090826451 /nfs/dbraw/zinc/82/64/51/1090826451.db2.gz LSQWNNHXHHSQSF-CYBMUJFWSA-N 1 0 301.386 3.169 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCCC(=O)c2cccnc2)cc1 ZINC001203934040 1090842978 /nfs/dbraw/zinc/84/29/78/1090842978.db2.gz LFUGLJSTPHQEOR-UHFFFAOYSA-N 1 0 311.429 3.243 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)cc1 ZINC001203933819 1090843245 /nfs/dbraw/zinc/84/32/45/1090843245.db2.gz RNOTWXMDQYZKJF-UHFFFAOYSA-N 1 0 322.456 3.021 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001203938631 1090843817 /nfs/dbraw/zinc/84/38/17/1090843817.db2.gz AHOGEZGKCGDWMW-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO C[C@@H]1C(=O)CC[N@H+](Cc2ccc(N(C)C)cc2)C12CCCC2 ZINC001203937334 1090844477 /nfs/dbraw/zinc/84/44/77/1090844477.db2.gz VJHWGPBPXGYINF-OAHLLOKOSA-N 1 0 300.446 3.476 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccsc3)CC2)c(C)c1 ZINC001204045378 1090882715 /nfs/dbraw/zinc/88/27/15/1090882715.db2.gz QHUMLBXUAFBMPM-UHFFFAOYSA-N 1 0 302.443 3.387 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCOCC23CCCC3)cc1F ZINC001204078617 1090893956 /nfs/dbraw/zinc/89/39/56/1090893956.db2.gz AOVVLFNSMZKXPO-QGZVFWFLSA-N 1 0 324.415 3.470 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc(O)cc3)CC2)c(C)c1 ZINC001204099403 1090903677 /nfs/dbraw/zinc/90/36/77/1090903677.db2.gz WRWUMNOPPQOODC-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@]1(C)O ZINC001204232350 1090929536 /nfs/dbraw/zinc/92/95/36/1090929536.db2.gz BBVAUZIPZOZTFB-QRWLVFNGSA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(CN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC001204233279 1090930273 /nfs/dbraw/zinc/93/02/73/1090930273.db2.gz 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COc1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc(O)c1O ZINC001204346437 1090953107 /nfs/dbraw/zinc/95/31/07/1090953107.db2.gz PMDRNJJLNVHAIN-CQSZACIVSA-N 1 0 317.360 3.235 20 10 DGCDRO C[N@@H+]1CCN(Cc2cc(F)c(F)cc2O)C2(CCCCC2)C1 ZINC001204357495 1090955448 /nfs/dbraw/zinc/95/54/48/1090955448.db2.gz AROAOWXQZJCPCW-UHFFFAOYSA-N 1 0 310.388 3.121 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC001204850315 1091047317 /nfs/dbraw/zinc/04/73/17/1091047317.db2.gz CJINAVYMPJKCGF-UHFFFAOYSA-N 1 0 311.809 3.272 20 10 DGCDRO CC(C)C[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138216516 1091118843 /nfs/dbraw/zinc/11/88/43/1091118843.db2.gz ALNSMQLGKJNOCR-UHFFFAOYSA-N 1 0 315.505 3.451 20 10 DGCDRO CC[N@H+](CCn1ccnc1)Cc1ccc(N2CCCCC2)cc1 ZINC001138222170 1091119774 /nfs/dbraw/zinc/11/97/74/1091119774.db2.gz KARCGUIEVRYCQA-UHFFFAOYSA-N 1 0 312.461 3.396 20 10 DGCDRO CN1CCC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC001138220673 1091120240 /nfs/dbraw/zinc/12/02/40/1091120240.db2.gz 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1091152620 /nfs/dbraw/zinc/15/26/20/1091152620.db2.gz RFPBOCSMWAZPGW-UHFFFAOYSA-N 1 0 324.424 3.430 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2COC)c(OC)c1 ZINC001138386001 1091160762 /nfs/dbraw/zinc/16/07/62/1091160762.db2.gz DNVSRLWOBCBTPB-QGZVFWFLSA-N 1 0 306.450 3.152 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(OC)c1 ZINC001138390437 1091164788 /nfs/dbraw/zinc/16/47/88/1091164788.db2.gz WZQQUAWHVCQKMF-SJLPKXTDSA-N 1 0 318.461 3.152 20 10 DGCDRO COc1ccccc1C[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC001205596363 1091272147 /nfs/dbraw/zinc/27/21/47/1091272147.db2.gz VOFDZIWHGKTTQK-AWEZNQCLSA-N 1 0 315.413 3.439 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccncc3C)CC2)c(C)c1 ZINC001205867833 1091386464 /nfs/dbraw/zinc/38/64/64/1091386464.db2.gz OAEAVZUNBDYMKD-UHFFFAOYSA-N 1 0 311.429 3.029 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC001205967266 1091431279 /nfs/dbraw/zinc/43/12/79/1091431279.db2.gz KBXYUOVSXMTFBL-MRXNPFEDSA-N 1 0 307.821 3.437 20 10 DGCDRO Nc1cc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc[nH+]1 ZINC001206550404 1091665875 /nfs/dbraw/zinc/66/58/75/1091665875.db2.gz IFYVTKHPYSHEHR-UHFFFAOYSA-N 1 0 315.332 3.183 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1 ZINC001206661213 1091697302 /nfs/dbraw/zinc/69/73/02/1091697302.db2.gz QPOWFISHDDIVFA-ZOCZFRKYSA-N 1 0 309.475 3.295 20 10 DGCDRO Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060496 1091753450 /nfs/dbraw/zinc/75/34/50/1091753450.db2.gz YMZWJDJXUPEVSR-MRXNPFEDSA-N 1 0 316.376 3.278 20 10 DGCDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140180906 1091793046 /nfs/dbraw/zinc/79/30/46/1091793046.db2.gz OESZCKXKDJOUSD-HKUYNNGSSA-N 1 0 319.445 3.027 20 10 DGCDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140180907 1091793397 /nfs/dbraw/zinc/79/33/97/1091793397.db2.gz OESZCKXKDJOUSD-IEBWSBKVSA-N 1 0 319.445 3.027 20 10 DGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)[C@@H]1C ZINC001140182205 1091793701 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COc1cc2c(cn1)CCN(Cc1ccc(Cl)cc1O)C2 ZINC001140468363 1091878282 /nfs/dbraw/zinc/87/82/82/1091878282.db2.gz IHYUYKSTZIUQQG-UHFFFAOYSA-N 1 0 304.777 3.008 20 10 DGCDRO O=C([C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O)N1CCCC1 ZINC001140467584 1091878908 /nfs/dbraw/zinc/87/89/08/1091878908.db2.gz YKPIAUWMJSXBJN-OAHLLOKOSA-N 1 0 322.836 3.023 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1O ZINC001140466979 1091879501 /nfs/dbraw/zinc/87/95/01/1091879501.db2.gz OLIFFMWDRWJYFG-ZDUSSCGKSA-N 1 0 311.809 3.352 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001140617453 1091932278 /nfs/dbraw/zinc/93/22/78/1091932278.db2.gz OVCRWOCRZAGGBL-AWEZNQCLSA-N 1 0 307.390 3.227 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(O)(c3ccccc3F)CC2)c1 ZINC001140620886 1091934052 /nfs/dbraw/zinc/93/40/52/1091934052.db2.gz FEFYFCOFBICAGJ-UHFFFAOYSA-N 1 0 315.388 3.323 20 10 DGCDRO CC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140663347 1091949619 /nfs/dbraw/zinc/94/96/19/1091949619.db2.gz BBRBTKKXXDVQET-HNNXBMFYSA-N 1 0 306.425 3.284 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001140663432 1091950566 /nfs/dbraw/zinc/95/05/66/1091950566.db2.gz DSTPHKIXIZAJIX-KXBFYZLASA-N 1 0 318.436 3.427 20 10 DGCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140664169 1091952571 /nfs/dbraw/zinc/95/25/71/1091952571.db2.gz ACNYRUFEWQIZCM-GOSISDBHSA-N 1 0 306.425 3.283 20 10 DGCDRO Cc1cccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)c1 ZINC001140742355 1091982458 /nfs/dbraw/zinc/98/24/58/1091982458.db2.gz LLTRWOUIMCMPLE-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO CCCCCC[NH+]1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140745238 1091983920 /nfs/dbraw/zinc/98/39/20/1091983920.db2.gz AVGGSGJBVJWURC-UHFFFAOYSA-N 1 0 306.450 3.104 20 10 DGCDRO COc1ccccc1CC[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140748845 1091984328 /nfs/dbraw/zinc/98/43/28/1091984328.db2.gz MEMQANBYCUAPQL-UHFFFAOYSA-N 1 0 301.386 3.089 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2ccc(O)c(C)c2O)c1OC ZINC001140747464 1091985087 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CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c(O)c1 ZINC001140850032 1092029992 /nfs/dbraw/zinc/02/99/92/1092029992.db2.gz AZQFWRYDQLLKBM-DNVCBOLYSA-N 1 0 320.477 3.221 20 10 DGCDRO CN(C)c1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC001140924869 1092064476 /nfs/dbraw/zinc/06/44/76/1092064476.db2.gz VEZAHIPICIARBT-INIZCTEOSA-N 1 0 307.869 3.076 20 10 DGCDRO CN(C)c1ccc(CN2CCC([N@H+](C)C3CC3)CC2)c(Cl)c1 ZINC001140925813 1092065721 /nfs/dbraw/zinc/06/57/21/1092065721.db2.gz DLHBTERXQFVFRL-UHFFFAOYSA-N 1 0 321.896 3.465 20 10 DGCDRO Cc1ccc(C[NH+]2CC3(CCN3Cc3ccccc3)C2)c(O)c1 ZINC001140950644 1092076604 /nfs/dbraw/zinc/07/66/04/1092076604.db2.gz AGSIDBOKLPWSEA-UHFFFAOYSA-N 1 0 308.425 3.161 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCCc3ccccc3C2)c(OC)c1 ZINC001141028656 1092110435 /nfs/dbraw/zinc/11/04/35/1092110435.db2.gz YXDKYBRQONCRMW-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO COc1cc(O)c(CN(C)Cc2ccc(F)cc2F)c(OC)c1 ZINC001141030871 1092112959 /nfs/dbraw/zinc/11/29/59/1092112959.db2.gz ORPYRXVJDZWMAR-UHFFFAOYSA-N 1 0 323.339 3.320 20 10 DGCDRO CO[C@@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141076241 1092130013 /nfs/dbraw/zinc/13/00/13/1092130013.db2.gz NXOFZDSUVMIUOT-LJQANCHMSA-N 1 0 314.473 3.386 20 10 DGCDRO c1cncc(C2C[NH+](Cc3cc4c5c(c3)CCCN5CCC4)C2)c1 ZINC001141078441 1092131620 /nfs/dbraw/zinc/13/16/20/1092131620.db2.gz VZHZDPUYALGJRR-UHFFFAOYSA-N 1 0 319.452 3.380 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)CCC1(F)F ZINC001141139725 1092148257 /nfs/dbraw/zinc/14/82/57/1092148257.db2.gz ADRBSYRGHRYABI-ZDUSSCGKSA-N 1 0 310.388 3.382 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H]3c3ccccn3)ccc21 ZINC001141143248 1092148372 /nfs/dbraw/zinc/14/83/72/1092148372.db2.gz QUYDJIIMGYUFMO-QGZVFWFLSA-N 1 0 309.413 3.247 20 10 DGCDRO CN1CCOc2cc(C[N@H+](C)CCOc3ccccc3)ccc21 ZINC001141142992 1092149042 /nfs/dbraw/zinc/14/90/42/1092149042.db2.gz JGMDJVFKANIZTI-UHFFFAOYSA-N 1 0 312.413 3.026 20 10 DGCDRO Cc1cccc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)c1C ZINC001141160184 1092156338 /nfs/dbraw/zinc/15/63/38/1092156338.db2.gz SOOSZWYRDFXVOA-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc1 ZINC001168817192 1092364578 /nfs/dbraw/zinc/36/45/78/1092364578.db2.gz WDSVDHIQAZOLNE-INIZCTEOSA-N 1 0 306.413 3.096 20 10 DGCDRO COc1ccc(-c2cccnc2)cc1N(CC[NH3+])c1cccnc1 ZINC001168836042 1092390423 /nfs/dbraw/zinc/39/04/23/1092390423.db2.gz JCKRIQAZVFYAOC-UHFFFAOYSA-N 1 0 320.396 3.249 20 10 DGCDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CN1C(=O)OC(C)(C)C ZINC001168871123 1092406494 /nfs/dbraw/zinc/40/64/94/1092406494.db2.gz GZGNTRLWAWAXRD-HIFRSBDPSA-N 1 0 320.433 3.222 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC001142508653 1092491923 /nfs/dbraw/zinc/49/19/23/1092491923.db2.gz GRFUWSYDGKTPDN-UHFFFAOYSA-N 1 0 310.388 3.121 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@@H](C)C(F)(F)F)CC2)cc1 ZINC001208902020 1092576632 /nfs/dbraw/zinc/57/66/32/1092576632.db2.gz PYAJHLXJCPBMQS-CYBMUJFWSA-N 1 0 316.367 3.406 20 10 DGCDRO COC(=O)C1(C)CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143110840 1092616787 /nfs/dbraw/zinc/61/67/87/1092616787.db2.gz QUZHLTUXDUUNHU-UHFFFAOYSA-N 1 0 319.445 3.465 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143111080 1092617079 /nfs/dbraw/zinc/61/70/79/1092617079.db2.gz WSSRXEDIWRDEBS-OAHLLOKOSA-N 1 0 319.445 3.465 20 10 DGCDRO CCOC(=O)[C@H]1CC[C@H](C[N@H+](C)Cc2ccccc2O)CC1 ZINC001209010760 1092623308 /nfs/dbraw/zinc/62/33/08/1092623308.db2.gz HJCVIEKQABEQJS-SHTZXODSSA-N 1 0 305.418 3.194 20 10 DGCDRO C[C@@H]1C[C@@H](C[N@@H+]2CCCc3cc(O)c(O)cc3C2)C[C@H](C)O1 ZINC001209384374 1092749120 /nfs/dbraw/zinc/74/91/20/1092749120.db2.gz AIVHRYJILRJEGA-BTTYYORXSA-N 1 0 305.418 3.050 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)cc1 ZINC001209516890 1092805665 /nfs/dbraw/zinc/80/56/65/1092805665.db2.gz RWRLHDZWKBEAJS-RTBURBONSA-N 1 0 316.420 3.389 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)cc1 ZINC001209516887 1092806153 /nfs/dbraw/zinc/80/61/53/1092806153.db2.gz RWRLHDZWKBEAJS-MOPGFXCFSA-N 1 0 316.420 3.389 20 10 DGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209516480 1092806388 /nfs/dbraw/zinc/80/63/88/1092806388.db2.gz IBSIDEGAQIDACA-QGZVFWFLSA-N 1 0 312.413 3.089 20 10 DGCDRO Cc1cc(CN2CC[NH2+]C[C@@H]2c2ccccc2)ccc1N(C)C ZINC001210215696 1093082411 /nfs/dbraw/zinc/08/24/11/1093082411.db2.gz LDCAGNRXNXRIQA-HXUWFJFHSA-N 1 0 309.457 3.208 20 10 DGCDRO O=C1C=CC(=NNc2ccccc2)C(O[C@@H]2C[NH2+]C[C@@H]2F)=C1 ZINC001217997496 1094550251 /nfs/dbraw/zinc/55/02/51/1094550251.db2.gz BOTGVHOAVHOQOM-UTWKKMKISA-N 1 0 301.321 3.496 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCCCCOC)CC2)cc1 ZINC001336436108 1094649574 /nfs/dbraw/zinc/64/95/74/1094649574.db2.gz RRIACHOMSVRCJJ-UHFFFAOYSA-N 1 0 306.450 3.024 20 10 DGCDRO CCC(CC)(CC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135831959 1094701280 /nfs/dbraw/zinc/70/12/80/1094701280.db2.gz ZOELVKZXVCJCTQ-UHFFFAOYSA-N 1 0 320.477 3.426 20 10 DGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001336893592 1094776510 /nfs/dbraw/zinc/77/65/10/1094776510.db2.gz LQMUNZSZHICJQT-QGZVFWFLSA-N 1 0 319.468 3.342 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000314705426 1095062189 /nfs/dbraw/zinc/06/21/89/1095062189.db2.gz JZZURUNKHNMUHH-IHRRRGAJSA-N 1 0 304.434 3.143 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](CO)Cc1ccco1 ZINC001337785009 1095094849 /nfs/dbraw/zinc/09/48/49/1095094849.db2.gz INRJORRTRRNCAJ-IJEWVQPXSA-N 1 0 315.413 3.283 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC001337784972 1095095338 /nfs/dbraw/zinc/09/53/38/1095095338.db2.gz HKYTZVHPJUTFHF-BMFZPTHFSA-N 1 0 300.446 3.323 20 10 DGCDRO CCC1([NH+]2CCCCC2)CCN(Cc2ccc(N)cc2)CC1 ZINC001337838765 1095112486 /nfs/dbraw/zinc/11/24/86/1095112486.db2.gz SWUAVCBJHXQOKC-UHFFFAOYSA-N 1 0 301.478 3.499 20 10 DGCDRO Oc1ccc(CC[NH2+][C@H]2CCc3c(Cl)cccc3C2)cc1O ZINC001171017636 1095134646 /nfs/dbraw/zinc/13/46/46/1095134646.db2.gz JUIJSFAHPIDULR-AWEZNQCLSA-N 1 0 317.816 3.441 20 10 DGCDRO [O-]c1cccc(F)c1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161585 1095467213 /nfs/dbraw/zinc/46/72/13/1095467213.db2.gz PULRAIPWFVZVHY-SFHVURJKSA-N 1 0 306.425 3.277 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@@]23CCC[NH2+]C3)c(Cl)c1 ZINC001222249499 1095511367 /nfs/dbraw/zinc/51/13/67/1095511367.db2.gz TUDVLHBJQZMWJB-QGZVFWFLSA-N 1 0 307.869 3.124 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3cccc(O)c3C)CC2)cc1 ZINC001144107257 1095523753 /nfs/dbraw/zinc/52/37/53/1095523753.db2.gz IBDIELZSVPZDBX-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO Oc1c(CN2CCC[C@@]3(CCC[NH2+]3)C2)cccc1C(F)(F)F ZINC001222353683 1095568019 /nfs/dbraw/zinc/56/80/19/1095568019.db2.gz FGTLFMADYQMZEJ-HNNXBMFYSA-N 1 0 314.351 3.129 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222360496 1095574193 /nfs/dbraw/zinc/57/41/93/1095574193.db2.gz QMEPRGLXPWAAQU-OAHLLOKOSA-N 1 0 315.244 3.417 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420526 1095605622 /nfs/dbraw/zinc/60/56/22/1095605622.db2.gz DRGBIZKKKRZSNJ-LJQANCHMSA-N 1 0 301.478 3.251 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001116588405 1095608335 /nfs/dbraw/zinc/60/83/35/1095608335.db2.gz FEAUNRQCHOJMJY-MCIONIFRSA-N 1 0 316.445 3.238 20 10 DGCDRO CC(C)(C)c1ccc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c(O)c1 ZINC001222436783 1095614420 /nfs/dbraw/zinc/61/44/20/1095614420.db2.gz ZZZJOTPMIWFOET-LJQANCHMSA-N 1 0 302.462 3.408 20 10 DGCDRO [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222461365 1095624837 /nfs/dbraw/zinc/62/48/37/1095624837.db2.gz QWAMBZAAZSKLAQ-UHFFFAOYSA-N 1 0 312.816 3.150 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)nc1 ZINC001144428339 1095653066 /nfs/dbraw/zinc/65/30/66/1095653066.db2.gz DKRRTXLTQJNSJB-UHFFFAOYSA-N 1 0 311.429 3.322 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C)[C@H]1CCCO1 ZINC001116853455 1095680545 /nfs/dbraw/zinc/68/05/45/1095680545.db2.gz HBOPHCGCIYFFIE-HGTKMLMNSA-N 1 0 305.418 3.033 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(Cl)cccc2N(C)C)c(O)c1 ZINC001116879176 1095688746 /nfs/dbraw/zinc/68/87/46/1095688746.db2.gz QLSVIJQZPFNHBC-UHFFFAOYSA-N 1 0 320.820 3.410 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCc3ccc(Cl)cc3C2)c(O)c1 ZINC001144500656 1095689481 /nfs/dbraw/zinc/68/94/81/1095689481.db2.gz YCXLRJNQAWCGTK-UHFFFAOYSA-N 1 0 305.761 3.015 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c(O)c1 ZINC001144509397 1095698518 /nfs/dbraw/zinc/69/85/18/1095698518.db2.gz VNSWXKSABLZWOC-OAHLLOKOSA-N 1 0 303.333 3.280 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c(C)n1-c1ccccc1 ZINC001137854005 1095766285 /nfs/dbraw/zinc/76/62/85/1095766285.db2.gz DSOFYMUBCMQTDZ-RTBURBONSA-N 1 0 316.420 3.389 20 10 DGCDRO CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)n(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001137858956 1095769363 /nfs/dbraw/zinc/76/93/63/1095769363.db2.gz BSDFJHXTBZRNMR-BGYRXZFFSA-N 1 0 323.484 3.478 20 10 DGCDRO Cc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137857337 1095769752 /nfs/dbraw/zinc/76/97/52/1095769752.db2.gz DSEJHVDWEJQMKZ-HXUWFJFHSA-N 1 0 309.457 3.374 20 10 DGCDRO Cc1cc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)n1-c1ccccc1 ZINC001137859106 1095770247 /nfs/dbraw/zinc/77/02/47/1095770247.db2.gz ITXIMQVHEVQRAM-TZIWHRDSSA-N 1 0 323.484 3.478 20 10 DGCDRO Cc1cc(C[N@@H+](Cc2ccccc2)[C@H](C)CO)ccc1N(C)C ZINC001117705590 1095809018 /nfs/dbraw/zinc/80/90/18/1095809018.db2.gz XJJFWMBBBUBXLP-QGZVFWFLSA-N 1 0 312.457 3.444 20 10 DGCDRO CCOC(=O)C1(CC)CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138129551 1095900557 /nfs/dbraw/zinc/90/05/57/1095900557.db2.gz KAEJPUBFSJRZCQ-UHFFFAOYSA-N 1 0 309.381 3.087 20 10 DGCDRO CCOc1ccc(N2CC3(C2)CC[N@H+](Cc2ccc[nH]2)C3)cc1 ZINC001276925833 1096078727 /nfs/dbraw/zinc/07/87/27/1096078727.db2.gz KBAVKGHVZKUILJ-UHFFFAOYSA-N 1 0 311.429 3.126 20 10 DGCDRO C/C(=C\c1cccnc1)C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001341253813 1096142319 /nfs/dbraw/zinc/14/23/19/1096142319.db2.gz ALTNLRPSYGHNGB-GSPCDJLXSA-N 1 0 321.424 3.039 20 10 DGCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc[nH]2)c(C)c1 ZINC001277018137 1096348038 /nfs/dbraw/zinc/34/80/38/1096348038.db2.gz DIGNSZBZXXIYQO-CALCHBBNSA-N 1 0 311.429 3.185 20 10 DGCDRO CCCCC[C@H]([NH2+]C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001161135534 1096420512 /nfs/dbraw/zinc/42/05/12/1096420512.db2.gz YVUAGMXRVIWELP-SFHVURJKSA-N 1 0 319.493 3.269 20 10 DGCDRO Oc1ccc(C[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)c(O)c1 ZINC001171345130 1096497280 /nfs/dbraw/zinc/49/72/80/1096497280.db2.gz HHYCLPRSLPPTED-ZDUSSCGKSA-N 1 0 305.324 3.023 20 10 DGCDRO Cc1ccc(CC[C@@H](C)[NH2+]CCc2cc(O)c(O)cc2O)cc1 ZINC001171659161 1096941224 /nfs/dbraw/zinc/94/12/24/1096941224.db2.gz ZFQXFKCZOLKKSL-CQSZACIVSA-N 1 0 315.413 3.265 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)CC2CCCC2)cc1 ZINC001171730303 1096957175 /nfs/dbraw/zinc/95/71/75/1096957175.db2.gz TUJMYZMTXVDGRT-GOSISDBHSA-N 1 0 320.477 3.004 20 10 DGCDRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CN1Cc1ccccc1 ZINC001171760694 1096965399 /nfs/dbraw/zinc/96/53/99/1096965399.db2.gz ZKSFKRHLBZHIGH-QFBILLFUSA-N 1 0 310.441 3.487 20 10 DGCDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227939378 1097017390 /nfs/dbraw/zinc/01/73/90/1097017390.db2.gz UXCUTQUIIQHCLC-CRAIPNDOSA-N 1 0 311.429 3.362 20 10 DGCDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001172591855 1097189512 /nfs/dbraw/zinc/18/95/12/1097189512.db2.gz LNDHJVSYMKGLBR-IRXDYDNUSA-N 1 0 316.445 3.108 20 10 DGCDRO Oc1cc(O)c(CC[NH2+]C2CCC3(CCCC3)CC2)cc1O ZINC001172726597 1097218161 /nfs/dbraw/zinc/21/81/61/1097218161.db2.gz YDOCMOOWLXHHPH-UHFFFAOYSA-N 1 0 305.418 3.439 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1O ZINC001173221573 1097371732 /nfs/dbraw/zinc/37/17/32/1097371732.db2.gz NVEURFWMRINDSS-ZDUSSCGKSA-N 1 0 300.358 3.330 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001173662077 1097485418 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CCOC(=O)C1(CC)CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231595118 1097788196 /nfs/dbraw/zinc/78/81/96/1097788196.db2.gz SPIUUJPKKNELBP-UHFFFAOYSA-N 1 0 305.418 3.256 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(C)nc2)c(O)cc1O ZINC001231637644 1097798336 /nfs/dbraw/zinc/79/83/36/1097798336.db2.gz PJJIRTRHHRQKJJ-HNNXBMFYSA-N 1 0 314.385 3.147 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCCN(c3ccccn3)CC2)c(O)c1 ZINC001231843401 1097860213 /nfs/dbraw/zinc/86/02/13/1097860213.db2.gz YAJFITOTYNCTPC-UHFFFAOYSA-N 1 0 311.429 3.116 20 10 DGCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231842880 1097860672 /nfs/dbraw/zinc/86/06/72/1097860672.db2.gz XSCGTMTVFNCEHJ-MRXNPFEDSA-N 1 0 318.461 3.089 20 10 DGCDRO CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231846504 1097861960 /nfs/dbraw/zinc/86/19/60/1097861960.db2.gz NCEYZULNJPMIGW-MLGOLLRUSA-N 1 0 305.418 3.173 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001231847922 1097862309 /nfs/dbraw/zinc/86/23/09/1097862309.db2.gz 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CC[N@H+](Cc1ccc(C(F)(F)F)cc1O)C1CCOCC1 ZINC001233454414 1098341366 /nfs/dbraw/zinc/34/13/66/1098341366.db2.gz UEVQNMMGCWMXTJ-UHFFFAOYSA-N 1 0 303.324 3.412 20 10 DGCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454500 1098341678 /nfs/dbraw/zinc/34/16/78/1098341678.db2.gz WWTMRXMGMQVEHG-CYBMUJFWSA-N 1 0 303.324 3.412 20 10 DGCDRO CCCC(=O)c1cc(O)c(O)cc1OC1CCC([NH+](C)C)CC1 ZINC001233499296 1098353734 /nfs/dbraw/zinc/35/37/34/1098353734.db2.gz YAENCDYNBUFAEV-UHFFFAOYSA-N 1 0 321.417 3.332 20 10 DGCDRO CCOC1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233755291 1098423248 /nfs/dbraw/zinc/42/32/48/1098423248.db2.gz TXKCVLKCSYVBSY-UHFFFAOYSA-N 1 0 319.323 3.292 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@H](CF)C2)cccc1OC(F)(F)F ZINC001233761007 1098424929 /nfs/dbraw/zinc/42/49/29/1098424929.db2.gz NOHFGIDSRBWSDT-SNVBAGLBSA-N 1 0 307.287 3.472 20 10 DGCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233768044 1098426709 /nfs/dbraw/zinc/42/67/09/1098426709.db2.gz JWJWBGURCQXAFX-LBPRGKRZSA-N 1 0 319.323 3.026 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cccc3c2OCO3)cc1 ZINC001177446419 1098539029 /nfs/dbraw/zinc/53/90/29/1098539029.db2.gz MZMAPPBAMPYSBF-SNAWJCMRSA-N 1 0 310.397 3.284 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)C3CCOCC3)cc2)CC1 ZINC001234658127 1098634659 /nfs/dbraw/zinc/63/46/59/1098634659.db2.gz VATPLGQRAWOXKC-MRXNPFEDSA-N 1 0 318.461 3.022 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)c3nccs3)cc2)CC1 ZINC001234661471 1098636335 /nfs/dbraw/zinc/63/63/35/1098636335.db2.gz UDRDGGUWGFRWJL-AWEZNQCLSA-N 1 0 317.458 3.425 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](O)Cc1ccccc1 ZINC001178249767 1098754206 /nfs/dbraw/zinc/75/42/06/1098754206.db2.gz USCWNQYTZZBDBW-KXBFYZLASA-N 1 0 311.425 3.093 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1O ZINC001235153127 1098839531 /nfs/dbraw/zinc/83/95/31/1098839531.db2.gz FCOAVAIQAUAEFX-QGZVFWFLSA-N 1 0 306.425 3.194 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC3(C2)CCC[NH2+]3)cc1Cl ZINC001235204062 1098876596 /nfs/dbraw/zinc/87/65/96/1098876596.db2.gz CLRUIGDOMFKVQJ-UHFFFAOYSA-N 1 0 308.853 3.281 20 10 DGCDRO [O-]c1ccc(F)c(F)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235237362 1098911863 /nfs/dbraw/zinc/91/18/63/1098911863.db2.gz AOHGIDNBPGMRFN-HNNXBMFYSA-N 1 0 310.388 3.025 20 10 DGCDRO Cc1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)n1-c1ccccc1 ZINC001235265264 1098937234 /nfs/dbraw/zinc/93/72/34/1098937234.db2.gz CMCGAWOVMSRYKG-FXAWDEMLSA-N 1 0 309.457 3.278 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]CC3=CCCCC3)cc2F)CC1 ZINC001178823678 1098942923 /nfs/dbraw/zinc/94/29/23/1098942923.db2.gz KBEHXWHDTPVZTM-UHFFFAOYSA-N 1 0 317.452 3.168 20 10 DGCDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001178852784 1098952812 /nfs/dbraw/zinc/95/28/12/1098952812.db2.gz YLAKGYFHPDBEFH-SFHVURJKSA-N 1 0 309.409 3.413 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3[nH]c(=O)oc32)c1 ZINC001179053421 1099002014 /nfs/dbraw/zinc/00/20/14/1099002014.db2.gz LQGSJXXHDGNLQK-JTQLQIEISA-N 1 0 314.341 3.098 20 10 DGCDRO CCCN1CC[C@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC001179238033 1099044270 /nfs/dbraw/zinc/04/42/70/1099044270.db2.gz GSGZWLRSQKXWRR-INIZCTEOSA-N 1 0 307.457 3.246 20 10 DGCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1c(O)ccc(Cl)c1Cl ZINC001235458702 1099046600 /nfs/dbraw/zinc/04/66/00/1099046600.db2.gz SHXJJVRRLSKPIJ-LBPRGKRZSA-N 1 0 303.233 3.129 20 10 DGCDRO CC(C)[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2O)CC[NH2+]1 ZINC001235475479 1099058650 /nfs/dbraw/zinc/05/86/50/1099058650.db2.gz QRQUCSGGRKMUMD-ZDUSSCGKSA-N 1 0 303.233 3.129 20 10 DGCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235678682 1099121698 /nfs/dbraw/zinc/12/16/98/1099121698.db2.gz KTPFMAGVQBEWJQ-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235679595 1099121885 /nfs/dbraw/zinc/12/18/85/1099121885.db2.gz PYFUBNPRPWKEIR-HNNXBMFYSA-N 1 0 305.418 3.217 20 10 DGCDRO CN1CCC[C@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@H]21 ZINC001235678089 1099122780 /nfs/dbraw/zinc/12/27/80/1099122780.db2.gz ADYPRGVBONWUPI-WMLDXEAASA-N 1 0 302.462 3.216 20 10 DGCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235679255 1099122858 /nfs/dbraw/zinc/12/28/58/1099122858.db2.gz DRECJZYGRQJLNV-QGZVFWFLSA-N 1 0 318.461 3.132 20 10 DGCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681856 1099124669 /nfs/dbraw/zinc/12/46/69/1099124669.db2.gz RIAXMEFWGQSCAP-GOSISDBHSA-N 1 0 305.418 3.075 20 10 DGCDRO C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)C1 ZINC001235680602 1099124501 /nfs/dbraw/zinc/12/45/01/1099124501.db2.gz WGJNBZOURUOOQG-IBGZPJMESA-N 1 0 302.462 3.217 20 10 DGCDRO CC(C)(C)c1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC001235686214 1099126317 /nfs/dbraw/zinc/12/63/17/1099126317.db2.gz YPJXMGHMDDTOBZ-QGZVFWFLSA-N 1 0 302.462 3.360 20 10 DGCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)c1 ZINC001235689228 1099128884 /nfs/dbraw/zinc/12/88/84/1099128884.db2.gz YPTNLISPZQFGEP-LJQANCHMSA-N 1 0 312.413 3.321 20 10 DGCDRO CCc1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2F)c(O)c1 ZINC001235752735 1099165406 /nfs/dbraw/zinc/16/54/06/1099165406.db2.gz KUOPRCBDIVXIMY-GOSISDBHSA-N 1 0 314.404 3.240 20 10 DGCDRO CCCCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001179763160 1099202409 /nfs/dbraw/zinc/20/24/09/1099202409.db2.gz GBOQNCXHWGOHLB-UHFFFAOYSA-N 1 0 301.478 3.251 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])C[C@H]1CCC[NH2+]C1 ZINC001235958212 1099289155 /nfs/dbraw/zinc/28/91/55/1099289155.db2.gz ZBQHSEYDTJXMSJ-JTQLQIEISA-N 1 0 303.233 3.130 20 10 DGCDRO CN(Cc1c(O)ccc(Cl)c1Cl)C[C@H]1CCC[NH2+]C1 ZINC001235957042 1099288753 /nfs/dbraw/zinc/28/87/53/1099288753.db2.gz KBFKEGORZIWYSJ-JTQLQIEISA-N 1 0 303.233 3.130 20 10 DGCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985539 1099311867 /nfs/dbraw/zinc/31/18/67/1099311867.db2.gz CTICOXQLMXHYDZ-VQIMIIECSA-N 1 0 312.388 3.121 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccc(OC)c(O)c2)c(O)c1 ZINC001180158568 1099335795 /nfs/dbraw/zinc/33/57/95/1099335795.db2.gz XIFLLJPHVQGRSG-UHFFFAOYSA-N 1 0 317.385 3.055 20 10 DGCDRO Cc1cc(CN2CC[NH2+]C[C@H]2c2cccs2)ccc1N(C)C ZINC001236112306 1099400020 /nfs/dbraw/zinc/40/00/20/1099400020.db2.gz CLWQBJLIKHEIKH-KRWDZBQOSA-N 1 0 315.486 3.269 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236116317 1099404883 /nfs/dbraw/zinc/40/48/83/1099404883.db2.gz LRCJEJJGSPBIGL-ZDUSSCGKSA-N 1 0 308.834 3.254 20 10 DGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001236135911 1099423582 /nfs/dbraw/zinc/42/35/82/1099423582.db2.gz RQOBONREONTFGE-OAHLLOKOSA-N 1 0 316.445 3.150 20 10 DGCDRO CCCN(Cc1c(O)ccc(F)c1Cl)C1CC[NH2+]CC1 ZINC001236183905 1099452134 /nfs/dbraw/zinc/45/21/34/1099452134.db2.gz BJCYFNPZBVIJTD-UHFFFAOYSA-N 1 0 300.805 3.149 20 10 DGCDRO CN(C)c1ccc(CN(C)[C@@]2(C)CCC[NH2+]C2)c2ccccc21 ZINC001236203135 1099461061 /nfs/dbraw/zinc/46/10/61/1099461061.db2.gz VPZSJSBSLALTPW-FQEVSTJZSA-N 1 0 311.473 3.480 20 10 DGCDRO Cc1ccc(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236269593 1099511978 /nfs/dbraw/zinc/51/19/78/1099511978.db2.gz IYOSWWKYKYSKPV-LJQANCHMSA-N 1 0 310.441 3.455 20 10 DGCDRO CCCN(Cc1c(O)ccc(Cl)c1Cl)[C@@H]1CC[NH2+]C1 ZINC001236324644 1099539135 /nfs/dbraw/zinc/53/91/35/1099539135.db2.gz TVRYRAIYXXGRNZ-SNVBAGLBSA-N 1 0 303.233 3.273 20 10 DGCDRO CC[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236410814 1099585319 /nfs/dbraw/zinc/58/53/19/1099585319.db2.gz KQXCVDILAKTPGK-SNVBAGLBSA-N 1 0 303.233 3.130 20 10 DGCDRO Cc1cc(O)c(CN(CC[NH3+])Cc2ccccc2)cc1Cl ZINC001236523717 1099659102 /nfs/dbraw/zinc/65/91/02/1099659102.db2.gz IHLJRSRQKDCHHT-UHFFFAOYSA-N 1 0 304.821 3.315 20 10 DGCDRO [NH3+]CCN(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1O ZINC001236528117 1099663345 /nfs/dbraw/zinc/66/33/45/1099663345.db2.gz PLCSUGFBBXNVHS-UHFFFAOYSA-N 1 0 324.346 3.372 20 10 DGCDRO COc1cc(C[N@@H+]2CCCC23CC3)c(O)cc1Br ZINC001236746501 1099769897 /nfs/dbraw/zinc/76/98/97/1099769897.db2.gz ZNGURLZFVPRYRN-UHFFFAOYSA-N 1 0 312.207 3.292 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)[C@@H](C)C1 ZINC001236770583 1099775356 /nfs/dbraw/zinc/77/53/56/1099775356.db2.gz IVYMFZOPYNLOFM-ZJUUUORDSA-N 1 0 314.223 3.481 20 10 DGCDRO CC[C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236765413 1099776011 /nfs/dbraw/zinc/77/60/11/1099776011.db2.gz OMHJWWKTFCDXSX-SECBINFHSA-N 1 0 300.196 3.092 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)[C@H](C)C1 ZINC001236770569 1099776568 /nfs/dbraw/zinc/77/65/68/1099776568.db2.gz IVYMFZOPYNLOFM-NXEZZACHSA-N 1 0 314.223 3.481 20 10 DGCDRO CC1CC([N@H+](C)Cc2cc(O)c(Br)cc2O)C1 ZINC001236768915 1099776838 /nfs/dbraw/zinc/77/68/38/1099776838.db2.gz SBRQNMAKGDSQLI-UHFFFAOYSA-N 1 0 300.196 3.091 20 10 DGCDRO Oc1cc(C[N@@H+]2CCC[C@H](CF)C2)c(O)cc1Br ZINC001236775140 1099778888 /nfs/dbraw/zinc/77/88/88/1099778888.db2.gz KBWCPKOYUAGELG-SECBINFHSA-N 1 0 318.186 3.042 20 10 DGCDRO CCc1ccc(C[N@H+](CCC(=O)OC)C2CCCC2)c(O)c1 ZINC001236786637 1099783632 /nfs/dbraw/zinc/78/36/32/1099783632.db2.gz FWPWYNBPEGRZOR-UHFFFAOYSA-N 1 0 305.418 3.262 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c(O)c1 ZINC001236786447 1099784004 /nfs/dbraw/zinc/78/40/04/1099784004.db2.gz DJWSXTKWZCWKFY-UHFFFAOYSA-N 1 0 323.440 3.223 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCN(C)c3nc(C)ccc3C2)c(O)c1 ZINC001236788939 1099785602 /nfs/dbraw/zinc/78/56/02/1099785602.db2.gz XPWGZKZPEMYOIB-UHFFFAOYSA-N 1 0 311.429 3.110 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(O)c1 ZINC001236788681 1099785632 /nfs/dbraw/zinc/78/56/32/1099785632.db2.gz MZKDUVILGSXVTH-LJQANCHMSA-N 1 0 310.441 3.443 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c(Cl)c1 ZINC001236796949 1099791510 /nfs/dbraw/zinc/79/15/10/1099791510.db2.gz AMDGVLAMVIUVKP-BZNIZROVSA-N 1 0 313.825 3.037 20 10 DGCDRO C[NH+]1CCC2(C[NH+](Cc3cc(Cl)c(Cl)cc3[O-])C2)CC1 ZINC001236798693 1099793702 /nfs/dbraw/zinc/79/37/02/1099793702.db2.gz KSRNXEVGTMFHFH-UHFFFAOYSA-N 1 0 315.244 3.227 20 10 DGCDRO COc1cc(O)c(CN2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC001236799536 1099793887 /nfs/dbraw/zinc/79/38/87/1099793887.db2.gz OVESFFOEOCHJJW-UHFFFAOYSA-N 1 0 324.852 3.114 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)OC)c(Cl)c1 ZINC001236804579 1099796370 /nfs/dbraw/zinc/79/63/70/1099796370.db2.gz WJQPUSKSRVGZEY-HNNXBMFYSA-N 1 0 313.825 3.444 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001236814069 1099802699 /nfs/dbraw/zinc/80/26/99/1099802699.db2.gz OVFJCFNVKHFJCL-HNNXBMFYSA-N 1 0 321.417 3.015 20 10 DGCDRO CCOC(=O)C[N@H+](Cc1c(C)cc(OC)cc1O)C1CCCC1 ZINC001236815800 1099803026 /nfs/dbraw/zinc/80/30/26/1099803026.db2.gz OWNSFSFCBBNUTK-UHFFFAOYSA-N 1 0 321.417 3.017 20 10 DGCDRO COC(=O)CC1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236830632 1099814087 /nfs/dbraw/zinc/81/40/87/1099814087.db2.gz PSAMUYADKFLDCW-UHFFFAOYSA-N 1 0 313.397 3.321 20 10 DGCDRO Oc1cc2ccccc2cc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001236830899 1099816713 /nfs/dbraw/zinc/81/67/13/1099816713.db2.gz DKCFFMBWEOKXCE-UHFFFAOYSA-N 1 0 314.404 3.164 20 10 DGCDRO O=C1CCCC2(CC[NH+](Cc3cc4ccccc4cc3O)CC2)N1 ZINC001236832375 1099817201 /nfs/dbraw/zinc/81/72/01/1099817201.db2.gz LOTLMKJJGHCWOO-UHFFFAOYSA-N 1 0 324.424 3.180 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c(O)c1 ZINC001236961948 1099891767 /nfs/dbraw/zinc/89/17/67/1099891767.db2.gz QFWWKOVAQJBBLT-UHFFFAOYSA-N 1 0 302.462 3.302 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCCC12CC2 ZINC001237052391 1099944091 /nfs/dbraw/zinc/94/40/91/1099944091.db2.gz WWJQMHKAXPGPAV-UHFFFAOYSA-N 1 0 301.308 3.462 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237052897 1099947402 /nfs/dbraw/zinc/94/74/02/1099947402.db2.gz DSHSHPTXFDWOBN-DRZSPHRISA-N 1 0 319.298 3.123 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237055904 1099947611 /nfs/dbraw/zinc/94/76/11/1099947611.db2.gz QQTJVJYPKXCGOI-GMXVVIOVSA-N 1 0 319.298 3.266 20 10 DGCDRO CCNC(=O)OC1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237055473 1099948742 /nfs/dbraw/zinc/94/87/42/1099948742.db2.gz PGFTXZFAHGBWSS-UHFFFAOYSA-N 1 0 320.433 3.226 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCCC23CC3)c(Br)c1 ZINC001237062593 1099952244 /nfs/dbraw/zinc/95/22/44/1099952244.db2.gz NBJKNSSFIFJQGS-UHFFFAOYSA-N 1 0 312.207 3.292 20 10 DGCDRO CCCC[N@H+](C)Cc1c(O)cc(OC)cc1Br ZINC001237062136 1099953881 /nfs/dbraw/zinc/95/38/81/1099953881.db2.gz KJWIQJQOJHFHSE-UHFFFAOYSA-N 1 0 302.212 3.395 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[NH+](C2CCC2)CC1 ZINC001237078616 1099958211 /nfs/dbraw/zinc/95/82/11/1099958211.db2.gz VKAVOWGASAMVES-UHFFFAOYSA-N 1 0 315.244 3.369 20 10 DGCDRO C[NH+](C)[C@H]1CCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237080359 1099958638 /nfs/dbraw/zinc/95/86/38/1099958638.db2.gz ATXBXKVGEOWTLK-JTQLQIEISA-N 1 0 303.233 3.225 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001237082671 1099961629 /nfs/dbraw/zinc/96/16/29/1099961629.db2.gz TYGWHVFOSJXJCM-NSHDSACASA-N 1 0 315.244 3.369 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001237081477 1099962560 /nfs/dbraw/zinc/96/25/60/1099962560.db2.gz LGAGHHPVWOFQSO-NSHDSACASA-N 1 0 315.244 3.369 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)[C@@H](C)C1 ZINC001237126453 1099984426 /nfs/dbraw/zinc/98/44/26/1099984426.db2.gz YFSITRYJOCMLNV-WDEREUQCSA-N 1 0 319.323 3.290 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CC([NH+]2CCCCC2)C1 ZINC001237139420 1099988381 /nfs/dbraw/zinc/98/83/81/1099988381.db2.gz FAAKHEIEICIPNM-UHFFFAOYSA-N 1 0 314.351 3.081 20 10 DGCDRO CC(C)[N@@H+]1CCN(Cc2cc(C(F)(F)F)ccc2O)C[C@@H]1C ZINC001237142696 1099991802 /nfs/dbraw/zinc/99/18/02/1099991802.db2.gz JCNOZGNPAPPQRW-LBPRGKRZSA-N 1 0 316.367 3.326 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237227600 1100039276 /nfs/dbraw/zinc/03/92/76/1100039276.db2.gz BSQMKPFJNXBOSY-AWEZNQCLSA-N 1 0 312.335 3.253 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH2+]C3=CCCC[C@@H]32)c(Cl)c1 ZINC001237226832 1100040968 /nfs/dbraw/zinc/04/09/68/1100040968.db2.gz ZLZBBQBMROWMHF-KRWDZBQOSA-N 1 0 305.853 3.248 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCNC2=CCCC[C@@H]21 ZINC001237230394 1100043125 /nfs/dbraw/zinc/04/31/25/1100043125.db2.gz SEQBSLNWINCNCW-AWEZNQCLSA-N 1 0 312.335 3.253 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC001237489066 1100141312 /nfs/dbraw/zinc/14/13/12/1100141312.db2.gz DODWVIBYJYAPBX-AWEZNQCLSA-N 1 0 320.433 3.190 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(C)cccc1O ZINC001237489995 1100141422 /nfs/dbraw/zinc/14/14/22/1100141422.db2.gz ONZNJSBCLCBILA-UHFFFAOYSA-N 1 0 313.397 3.266 20 10 DGCDRO Cc1cccc(O)c1CN1CC[C@H](N2CCCCC2)C(F)(F)C1 ZINC001237495726 1100145832 /nfs/dbraw/zinc/14/58/32/1100145832.db2.gz UWERWZTVTYHCAN-KRWDZBQOSA-N 1 0 324.415 3.396 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccn2nccc2c1 ZINC001237545672 1100167312 /nfs/dbraw/zinc/16/73/12/1100167312.db2.gz XNWPMSKVMQYULO-UHFFFAOYSA-N 1 0 308.429 3.422 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001237622472 1100191654 /nfs/dbraw/zinc/19/16/54/1100191654.db2.gz SEBPQUQWHBUMJS-LBPRGKRZSA-N 1 0 313.800 3.433 20 10 DGCDRO CC[N@H+](Cc1cc(Br)c(C)cc1O)CC(C)(C)O ZINC001237682920 1100214082 /nfs/dbraw/zinc/21/40/82/1100214082.db2.gz UVQSSPRMSRBNDL-UHFFFAOYSA-N 1 0 316.239 3.056 20 10 DGCDRO Cc1cc(F)cc(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001238062930 1100345442 /nfs/dbraw/zinc/34/54/42/1100345442.db2.gz UVSLOOWMVMTJJH-GOSISDBHSA-N 1 0 314.404 3.328 20 10 DGCDRO Cc1cc(F)cc(C[N@H+](C)CCCC(=O)c2cccnc2)c1O ZINC001238061805 1100345553 /nfs/dbraw/zinc/34/55/53/1100345553.db2.gz IVHHLUQKAOHMQP-UHFFFAOYSA-N 1 0 316.376 3.330 20 10 DGCDRO Cc1ccccc1N1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238058607 1100345975 /nfs/dbraw/zinc/34/59/75/1100345975.db2.gz SQXWHVVRHZAYKN-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(F)cc(C)c2O)c(OC)c1 ZINC001238068770 1100347933 /nfs/dbraw/zinc/34/79/33/1100347933.db2.gz FJPJXQNCUZZMGG-UHFFFAOYSA-N 1 0 319.376 3.489 20 10 DGCDRO CCc1noc([C@H]2CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238070948 1100349774 /nfs/dbraw/zinc/34/97/74/1100349774.db2.gz QIWBOMBCUYGHIB-LBPRGKRZSA-N 1 0 319.380 3.165 20 10 DGCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC001194090026 1100871550 /nfs/dbraw/zinc/87/15/50/1100871550.db2.gz CRZGKKDMVZPFOB-JKSUJKDBSA-N 1 0 323.408 3.417 20 10 DGCDRO Cc1c(C)n(Cc2ccco2)c2ncnc(C3=CCC[NH2+]C3)c12 ZINC001240656882 1101084966 /nfs/dbraw/zinc/08/49/66/1101084966.db2.gz MPHJFBJRWFPENK-UHFFFAOYSA-N 1 0 308.385 3.066 20 10 DGCDRO CO[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C1CCCC1 ZINC001203241574 1101452246 /nfs/dbraw/zinc/45/22/46/1101452246.db2.gz AVJOVXHXLMXHEA-QGZVFWFLSA-N 1 0 312.404 3.326 20 10 DGCDRO CC[NH+](CC)C1CCN(Cc2cc(OC)c(C)cc2O)CC1 ZINC000160232470 1101494072 /nfs/dbraw/zinc/49/40/72/1101494072.db2.gz FWDGCHLGBXVGLI-UHFFFAOYSA-N 1 0 306.450 3.015 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@](OC)(C(F)(F)F)C2)cc1 ZINC001197326221 1101547717 /nfs/dbraw/zinc/54/77/17/1101547717.db2.gz OUPBURBLXFIDNK-OAHLLOKOSA-N 1 0 316.367 3.296 20 10 DGCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cccc(C)c2O)C1=O ZINC001273770255 1101956103 /nfs/dbraw/zinc/95/61/03/1101956103.db2.gz QWZGIBMOTWJSCB-BEFAXECRSA-N 1 0 316.445 3.066 20 10 DGCDRO Cn1cnc2cc(NCc3ccc(OCC[NH+](C)C)cc3)ccc21 ZINC001201114848 1102490251 /nfs/dbraw/zinc/49/02/51/1102490251.db2.gz NDOZLSDMATYWSB-UHFFFAOYSA-N 1 0 324.428 3.126 20 10 DGCDRO CCC[C@H](C)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001201553514 1102638800 /nfs/dbraw/zinc/63/88/00/1102638800.db2.gz OAQBULZJJPBNFU-HNNXBMFYSA-N 1 0 306.450 3.262 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC001201832757 1102741839 /nfs/dbraw/zinc/74/18/39/1102741839.db2.gz FVELGMITZGXJQL-XOIINTDNSA-N 1 0 307.434 3.277 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@@]23CCOC3)c(C(F)(F)F)c1 ZINC001325473265 1103045806 /nfs/dbraw/zinc/04/58/06/1103045806.db2.gz DYTLXARTMCBRHE-HNNXBMFYSA-N 1 0 314.351 3.136 20 10 DGCDRO Oc1c(C[NH+]2CCC(F)CC2)cc2c3c1CCCN3CCC2 ZINC001138338994 1103070486 /nfs/dbraw/zinc/07/04/86/1103070486.db2.gz ZEWHEDJOXCPXKD-UHFFFAOYSA-N 1 0 304.409 3.025 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCC[C@@H](F)C2)ccc1N1CCOCC1 ZINC001326190348 1103228996 /nfs/dbraw/zinc/22/89/96/1103228996.db2.gz WVXLBQUFAQZJNR-HUUCEWRRSA-N 1 0 310.388 3.033 20 10 DGCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2O)O1 ZINC000688864622 1103260836 /nfs/dbraw/zinc/26/08/36/1103260836.db2.gz HDFZQCCPRPKNRN-GWCFXTLKSA-N 1 0 314.223 3.202 20 10 DGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001327572335 1103684089 /nfs/dbraw/zinc/68/40/89/1103684089.db2.gz IKTMLDVQURTIPH-SFHVURJKSA-N 1 0 302.462 3.174 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC001276372210 1103689098 /nfs/dbraw/zinc/68/90/98/1103689098.db2.gz JOQUUYDTIPHBTD-QGZVFWFLSA-N 1 0 308.853 3.272 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1O ZINC001327704492 1103709908 /nfs/dbraw/zinc/70/99/08/1103709908.db2.gz ZZILYNYAMVNRFZ-NVXWUHKLSA-N 1 0 319.445 3.490 20 10 DGCDRO CCCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001327828438 1103733827 /nfs/dbraw/zinc/73/38/27/1103733827.db2.gz NHGUMKJPVRBXLW-DOTOQJQBSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC001327882523 1103754081 /nfs/dbraw/zinc/75/40/81/1103754081.db2.gz ZDBCVTHWSVGHJL-QGWWYQLQSA-N 1 0 300.446 3.300 20 10 DGCDRO C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001206563648 1103791869 /nfs/dbraw/zinc/79/18/69/1103791869.db2.gz GDBXJJXTLJXIMO-HNNXBMFYSA-N 1 0 316.367 3.362 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccccc1-n1cccn1)CC2 ZINC001137101012 1103979723 /nfs/dbraw/zinc/97/97/23/1103979723.db2.gz XDJZHICXAPTUBE-UHFFFAOYSA-N 1 0 305.381 3.136 20 10 DGCDRO C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC001329023675 1104127382 /nfs/dbraw/zinc/12/73/82/1104127382.db2.gz MQVXFSLVLLVMOV-HUUCEWRRSA-N 1 0 307.457 3.465 20 10 DGCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1c(O)cccc1Br ZINC001329139434 1104167914 /nfs/dbraw/zinc/16/79/14/1104167914.db2.gz DYIKRMDAYWPEFZ-QWRGUYRKSA-N 1 0 316.239 3.041 20 10 DGCDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001329823112 1104394076 /nfs/dbraw/zinc/39/40/76/1104394076.db2.gz IEVZHACWNKCGQF-IBGZPJMESA-N 1 0 302.462 3.414 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)ccc1N1CCCCC1 ZINC001330597942 1104588177 /nfs/dbraw/zinc/58/81/77/1104588177.db2.gz HAKPUWGMPIUKIR-FQEVSTJZSA-N 1 0 314.473 3.332 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1 ZINC001330601647 1104589543 /nfs/dbraw/zinc/58/95/43/1104589543.db2.gz JLQURVQESIVHRO-GOSISDBHSA-N 1 0 324.424 3.095 20 10 DGCDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001330639637 1104602173 /nfs/dbraw/zinc/60/21/73/1104602173.db2.gz UMQLJYUGCMGKND-LJQANCHMSA-N 1 0 316.445 3.108 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001330713005 1104628631 /nfs/dbraw/zinc/62/86/31/1104628631.db2.gz GOQPARSXOGCLJC-NWDGAFQWSA-N 1 0 300.406 3.280 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275217333 1104679473 /nfs/dbraw/zinc/67/94/73/1104679473.db2.gz JDJNRNZSJFEPBH-UHFFFAOYSA-N 1 0 320.864 3.496 20 10 DGCDRO CCn1c2cc(F)ccc2nc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001247041129 1104783942 /nfs/dbraw/zinc/78/39/42/1104783942.db2.gz MQBXXFMQURRKES-UHFFFAOYSA-N 1 0 324.403 3.272 20 10 DGCDRO CN(C)c1ccc(-c2nc3ccccc3n2[C@H]2CC[NH2+]C2)cc1 ZINC001247049598 1104786632 /nfs/dbraw/zinc/78/66/32/1104786632.db2.gz QTGXAVUNEFPORZ-INIZCTEOSA-N 1 0 306.413 3.304 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C(C)(C)C[NH3+])n2)cc1 ZINC001247623464 1104939951 /nfs/dbraw/zinc/93/99/51/1104939951.db2.gz DFPJWGDNCKIOGC-UHFFFAOYSA-N 1 0 310.401 3.380 20 10 DGCDRO CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001276139935 1105028979 /nfs/dbraw/zinc/02/89/79/1105028979.db2.gz JRZROCHEWXHXTG-QAPCUYQASA-N 1 0 308.425 3.195 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3[C@@H]4C[NH2+]C[C@@H]43)n2)cc1 ZINC001248310709 1105094507 /nfs/dbraw/zinc/09/45/07/1105094507.db2.gz SKFJWLMLULWMPL-FVQHAEBGSA-N 1 0 320.396 3.077 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)ccc2O1 ZINC001249230276 1105251094 /nfs/dbraw/zinc/25/10/94/1105251094.db2.gz ALOIJDLBSJRHJV-CABCVRRESA-N 1 0 315.413 3.045 20 10 DGCDRO CC(C)[C@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCO1 ZINC001249252536 1105257922 /nfs/dbraw/zinc/25/79/22/1105257922.db2.gz MTCYWTVNSOLSKL-QGZVFWFLSA-N 1 0 317.429 3.433 20 10 DGCDRO CCO[C@@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249259042 1105258554 /nfs/dbraw/zinc/25/85/54/1105258554.db2.gz PQJXIKWJVZSLQD-CQSZACIVSA-N 1 0 303.402 3.187 20 10 DGCDRO CC[N@@H+]1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)[C@H](C)C1 ZINC001249263468 1105259775 /nfs/dbraw/zinc/25/97/75/1105259775.db2.gz KLOMPGJELIQWAI-CQSZACIVSA-N 1 0 316.445 3.102 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(F)cc1C(=O)OC ZINC001249621235 1105335052 /nfs/dbraw/zinc/33/50/52/1105335052.db2.gz JTHMWWPHIUWNQZ-UHFFFAOYSA-N 1 0 317.360 3.340 20 10 DGCDRO CSCC[N@H+](C)Cc1cc(C)c(Br)cc1O ZINC001250134033 1105451165 /nfs/dbraw/zinc/45/11/65/1105451165.db2.gz VZHAXVWXFYEHOR-UHFFFAOYSA-N 1 0 304.253 3.258 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@@H](O)C(F)(F)F ZINC001251001296 1105618652 /nfs/dbraw/zinc/61/86/52/1105618652.db2.gz GSBNRNUIRGJYTM-BXUZGUMPSA-N 1 0 317.351 3.145 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC001254581214 1106108195 /nfs/dbraw/zinc/10/81/95/1106108195.db2.gz MKMJAYUBEMTNLC-INIZCTEOSA-N 1 0 312.369 3.169 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@@H]([N@H+](CC)Cc2ccccc2O)C1 ZINC001255368047 1106233283 /nfs/dbraw/zinc/23/32/83/1106233283.db2.gz COBDBTGIMHJFLC-GDBMZVCRSA-N 1 0 305.418 3.336 20 10 DGCDRO c1ccn(-c2ccc(-c3nnc(C45CC[NH+](CC4)CC5)o3)cc2)c1 ZINC001256965850 1106517674 /nfs/dbraw/zinc/51/76/74/1106517674.db2.gz LIZOIAHXTHPRPT-UHFFFAOYSA-N 1 0 320.396 3.265 20 10 DGCDRO CCCCC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001257501665 1106598628 /nfs/dbraw/zinc/59/86/28/1106598628.db2.gz KDHVAEBEEOFSHO-KRWDZBQOSA-N 1 0 303.494 3.497 20 10 DGCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(O)c2O)cc1 ZINC001258392715 1106727690 /nfs/dbraw/zinc/72/76/90/1106727690.db2.gz DZJBGRXBEQAQHW-ZDUSSCGKSA-N 1 0 301.386 3.217 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC001320244090 1106936191 /nfs/dbraw/zinc/93/61/91/1106936191.db2.gz AFIREOXIVSEHCE-KQTLUZQSSA-N 1 0 300.446 3.464 20 10 DGCDRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258735763 1106939911 /nfs/dbraw/zinc/93/99/11/1106939911.db2.gz BFVCUMMQTBDLBH-GTNSWQLSSA-N 1 0 321.804 3.005 20 10 DGCDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001321023588 1107226195 /nfs/dbraw/zinc/22/61/95/1107226195.db2.gz NWSWPRDFKUGQHZ-GOSISDBHSA-N 1 0 304.434 3.108 20 10 DGCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001321101278 1107249796 /nfs/dbraw/zinc/24/97/96/1107249796.db2.gz QRFLBRLSGNFSFO-HZPDHXFCSA-N 1 0 319.468 3.103 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ncnn1C(C)(C)C ZINC001321374417 1107334111 /nfs/dbraw/zinc/33/41/11/1107334111.db2.gz ZWUINKOVNVTKRH-CHWSQXEVSA-N 1 0 314.433 3.385 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)c1O ZINC001261182961 1107354736 /nfs/dbraw/zinc/35/47/36/1107354736.db2.gz CJGIZNYNZKFIRB-UHFFFAOYSA-N 1 0 323.396 3.091 20 10 DGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C12CCC2 ZINC001261295594 1107406910 /nfs/dbraw/zinc/40/69/10/1107406910.db2.gz DJAXYTFLLMPUAC-ZWKOTPCHSA-N 1 0 300.446 3.334 20 10 DGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)o1 ZINC001323123004 1107842812 /nfs/dbraw/zinc/84/28/12/1107842812.db2.gz CYMPZYNRONEZTO-KRWDZBQOSA-N 1 0 300.402 3.011 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)o1 ZINC001323123007 1107843207 /nfs/dbraw/zinc/84/32/07/1107843207.db2.gz CYMPZYNRONEZTO-QGZVFWFLSA-N 1 0 300.402 3.011 20 10 DGCDRO CC[C@@H](C)CC(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001323435909 1107974014 /nfs/dbraw/zinc/97/40/14/1107974014.db2.gz QCWJTAUCUBKMAB-CQSZACIVSA-N 1 0 318.461 3.178 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC[S@@](=O)C(C)(C)C ZINC001323829962 1108098504 /nfs/dbraw/zinc/09/85/04/1108098504.db2.gz AUSOZHZXDAGDGA-SQHYZVFZSA-N 1 0 309.475 3.386 20 10 DGCDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001323929169 1108122986 /nfs/dbraw/zinc/12/29/86/1108122986.db2.gz KAYSOAFEYWCYMK-QGZVFWFLSA-N 1 0 303.494 3.497 20 10 DGCDRO Cn1cc([C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)c2ccccc2)cn1 ZINC001324601145 1108368748 /nfs/dbraw/zinc/36/87/48/1108368748.db2.gz HNFRJEYMBKUWKY-XLIONFOSSA-N 1 0 319.408 3.492 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC001324777098 1108461478 /nfs/dbraw/zinc/46/14/78/1108461478.db2.gz VDCBTEMXUHLCDW-MJGOQNOKSA-N 1 0 300.446 3.288 20 10 DGCDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC001319713254 1108606559 /nfs/dbraw/zinc/60/65/59/1108606559.db2.gz VLSSJPSWGVDVJA-SJORKVTESA-N 1 0 301.478 3.201 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC001325341368 1108626609 /nfs/dbraw/zinc/62/66/09/1108626609.db2.gz VHKKEMWUOWGOBU-YLQAJVPDSA-N 1 0 323.440 3.494 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C(C)(C)CC(=O)OC)cc1 ZINC001319822373 1108652259 /nfs/dbraw/zinc/65/22/59/1108652259.db2.gz DPQCVDGHGBNYEI-UHFFFAOYSA-N 1 0 306.450 3.306 20 10 DGCDRO Cc1nnc(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)s1 ZINC000391840696 1108781844 /nfs/dbraw/zinc/78/18/44/1108781844.db2.gz MJFFFUAWNGVZLU-CMPLNLGQSA-N 1 0 303.431 3.241 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1F ZINC001308220375 1111399510 /nfs/dbraw/zinc/39/95/10/1111399510.db2.gz UKSLMCNXPWJBFT-IBGZPJMESA-N 1 0 314.404 3.249 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H](C)N2CCCCC2)ccc1OC ZINC001308218158 1111399809 /nfs/dbraw/zinc/39/98/09/1111399809.db2.gz VJUAXEKSEHHPTN-INIZCTEOSA-N 1 0 320.477 3.196 20 10 DGCDRO COc1ccc(CN[C@H]2CC[N@H+](CC3CCCC3)C2)cc1C ZINC001308292018 1111412318 /nfs/dbraw/zinc/41/23/18/1111412318.db2.gz CMHQULAZJSIISZ-SFHVURJKSA-N 1 0 302.462 3.358 20 10 DGCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001308295337 1111412802 /nfs/dbraw/zinc/41/28/02/1111412802.db2.gz JTWOFRNIJMZIDV-CABCVRRESA-N 1 0 324.465 3.036 20 10 DGCDRO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001308464219 1111431468 /nfs/dbraw/zinc/43/14/68/1111431468.db2.gz QTBUCVKHDBVUKI-SFHVURJKSA-N 1 0 315.505 3.497 20 10 DGCDRO CCCN1CC[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001308475826 1111432715 /nfs/dbraw/zinc/43/27/15/1111432715.db2.gz WBNICQPAUVUMEZ-HNNXBMFYSA-N 1 0 320.477 3.272 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2cc(C)c[nH]c2=O)cc1C ZINC001308543929 1111440718 /nfs/dbraw/zinc/44/07/18/1111440718.db2.gz PAUPFFFJBXZZAS-UHFFFAOYSA-N 1 0 300.402 3.483 20 10 DGCDRO COC(=O)[C@H](C[NH2+]Cc1cc(C(C)C)ccc1O)CC(C)C ZINC001308795818 1111476527 /nfs/dbraw/zinc/47/65/27/1111476527.db2.gz WQUAUVWXUHKGJC-INIZCTEOSA-N 1 0 307.434 3.441 20 10 DGCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)C2 ZINC001308804492 1111477333 /nfs/dbraw/zinc/47/73/33/1111477333.db2.gz RPQVXZLWWNMIAI-GOSISDBHSA-N 1 0 310.441 3.463 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c1O ZINC001308870217 1111486816 /nfs/dbraw/zinc/48/68/16/1111486816.db2.gz YBMXWWGCKAYNOD-INIZCTEOSA-N 1 0 301.361 3.187 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001308969052 1111502069 /nfs/dbraw/zinc/50/20/69/1111502069.db2.gz LMEDFCMZQHDQRM-TZIWHRDSSA-N 1 0 324.468 3.096 20 10 DGCDRO CC(C)O[C@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001621424832 1193841564 /nfs/dbraw/zinc/84/15/64/1193841564.db2.gz GMGGNPYTIRWUJR-AWEZNQCLSA-N 1 0 312.404 3.420 20 10 DGCDRO c1coc([C@H](C[NH2+]Cc2ccc3c(c2)CCO3)N2CCCC2)c1 ZINC000079249362 185162252 /nfs/dbraw/zinc/16/22/52/185162252.db2.gz JENBQDNMPLRKRR-KRWDZBQOSA-N 1 0 312.413 3.141 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000174536601 282290667 /nfs/dbraw/zinc/29/06/67/282290667.db2.gz SBZWRSJTBCZDBE-COXVUDFISA-N 1 0 306.425 3.185 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000294984638 530010124 /nfs/dbraw/zinc/01/01/24/530010124.db2.gz XROHHVOCDKQQMG-INIZCTEOSA-N 1 0 316.470 3.199 20 10 DGCDRO CN(C)c1ccc(CNc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000071701248 191009374 /nfs/dbraw/zinc/00/93/74/191009374.db2.gz CKBWSOVRHVRKBC-UHFFFAOYSA-N 1 0 313.445 3.305 20 10 DGCDRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000155328788 282910401 /nfs/dbraw/zinc/91/04/01/282910401.db2.gz LDCHIDWKEYUXAS-WMZOPIPTSA-N 1 0 320.477 3.379 20 10 DGCDRO C[N@H+](Cc1ccccc1O)C1CCN(Cc2ccccc2)CC1 ZINC000179560739 432062652 /nfs/dbraw/zinc/06/26/52/432062652.db2.gz JCHYJWVAPOJLBV-UHFFFAOYSA-N 1 0 310.441 3.489 20 10 DGCDRO C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(N2CCCCC2)cc1 ZINC000179570861 432063263 /nfs/dbraw/zinc/06/32/63/432063263.db2.gz BJSJLCQKZVXPAH-OAHLLOKOSA-N 1 0 304.434 3.091 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000179630708 432065503 /nfs/dbraw/zinc/06/55/03/432065503.db2.gz XJGHENRKBSRINY-UHFFFAOYSA-N 1 0 312.413 3.388 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273431064 535418150 /nfs/dbraw/zinc/41/81/50/535418150.db2.gz VQRJNMMBPGWVIE-HNNXBMFYSA-N 1 0 306.450 3.308 20 10 DGCDRO COCOc1ccc(OC)cc1C[N@H+](C)Cc1ccccc1O ZINC000091974560 193134893 /nfs/dbraw/zinc/13/48/93/193134893.db2.gz DYMXLXWCUPJGDW-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc2ccccc2c1O ZINC000282315460 296120105 /nfs/dbraw/zinc/12/01/05/296120105.db2.gz NHNANVXMGUJPJN-GTJPDFRWSA-N 1 0 303.427 3.107 20 10 DGCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000188491745 284323953 /nfs/dbraw/zinc/32/39/53/284323953.db2.gz UGEHWAKYIITWJS-STQMWFEESA-N 1 0 300.402 3.063 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C(C3CC3)C3CC3)cc2F)CC1 ZINC000268846137 432143903 /nfs/dbraw/zinc/14/39/03/432143903.db2.gz OQEZGSPGZMKVML-UHFFFAOYSA-N 1 0 318.436 3.065 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)ccc1OC ZINC000268988077 432149377 /nfs/dbraw/zinc/14/93/77/432149377.db2.gz UPIGKOZYEZHIQO-QGZVFWFLSA-N 1 0 319.445 3.423 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1O ZINC000060358323 184146819 /nfs/dbraw/zinc/14/68/19/184146819.db2.gz MAFSQGCTRBRJPD-HNNXBMFYSA-N 1 0 321.804 3.268 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000179877837 533520214 /nfs/dbraw/zinc/52/02/14/533520214.db2.gz ZKLHYMDQEOGXBY-CRAIPNDOSA-N 1 0 324.424 3.234 20 10 DGCDRO COc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2O)cc1OC ZINC000176980293 533502160 /nfs/dbraw/zinc/50/21/60/533502160.db2.gz NBDPMYIIWRVZSX-GFCCVEGCSA-N 1 0 319.376 3.442 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1O ZINC000272875672 130071726 /nfs/dbraw/zinc/07/17/26/130071726.db2.gz PQGLMAMKLHAZHA-HNNXBMFYSA-N 1 0 312.413 3.080 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)ccc1OC ZINC000273167530 130094935 /nfs/dbraw/zinc/09/49/35/130094935.db2.gz VFRKSPMSIJHTHJ-OALUTQOASA-N 1 0 319.445 3.279 20 10 DGCDRO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000273383974 130113740 /nfs/dbraw/zinc/11/37/40/130113740.db2.gz IYNAUPNGFKGXTI-DJJJIMSYSA-N 1 0 324.424 3.148 20 10 DGCDRO Cc1cc(Br)cc(C[N@H+](C)Cc2ccccn2)c1O ZINC000273411262 130118500 /nfs/dbraw/zinc/11/85/00/130118500.db2.gz OLKAQNHXBYIQJV-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(F)ccc1O ZINC000273418550 130119048 /nfs/dbraw/zinc/11/90/48/130119048.db2.gz IYWMACVZZCKONG-CJNGLKHVSA-N 1 0 303.377 3.176 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1 ZINC000273422092 130119446 /nfs/dbraw/zinc/11/94/46/130119446.db2.gz SKKKJDGVXDATCB-AWEZNQCLSA-N 1 0 312.413 3.253 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c(O)c1 ZINC000273481196 130126086 /nfs/dbraw/zinc/12/60/86/130126086.db2.gz MBKJQBDLDFIWMX-MAUKXSAKSA-N 1 0 324.424 3.152 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c(O)c1C ZINC000273570615 130138265 /nfs/dbraw/zinc/13/82/65/130138265.db2.gz KNELLEVKZBJYNB-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273598729 130142373 /nfs/dbraw/zinc/14/23/73/130142373.db2.gz RMTLYTGIJPSWSB-IUDNXUCKSA-N 1 0 304.434 3.107 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273617229 130145383 /nfs/dbraw/zinc/14/53/83/130145383.db2.gz XRINLYZMHAMTPS-RDTXWAMCSA-N 1 0 315.413 3.402 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC2(CCO)CCCC2)c1O ZINC000273700812 130155463 /nfs/dbraw/zinc/15/54/63/130155463.db2.gz DBXNVEAGGCKUSJ-UHFFFAOYSA-N 1 0 313.825 3.087 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)[C@]12CCCO2 ZINC000274146227 130211001 /nfs/dbraw/zinc/21/10/01/130211001.db2.gz DSXYHJBVZXATLG-VIBAHUMZSA-N 1 0 305.418 3.078 20 10 DGCDRO CC[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccccc1O ZINC000274954506 130276825 /nfs/dbraw/zinc/27/68/25/130276825.db2.gz VOFISAUIZNNCEW-QGZVFWFLSA-N 1 0 318.461 3.078 20 10 DGCDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000275300882 130303284 /nfs/dbraw/zinc/30/32/84/130303284.db2.gz QLWUCNARZNWHGD-PEBXRYMYSA-N 1 0 317.454 3.258 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1ccc(F)cc1[O-] ZINC000286277446 131228290 /nfs/dbraw/zinc/22/82/90/131228290.db2.gz VPBYOVMTPDWHKJ-WBMJQRKESA-N 1 0 305.397 3.413 20 10 DGCDRO COCCC[N@H+](Cc1ccncc1)Cc1ccc(N(C)C)cc1 ZINC000289431399 131385299 /nfs/dbraw/zinc/38/52/99/131385299.db2.gz KUAFAPIMIYAXIO-UHFFFAOYSA-N 1 0 313.445 3.186 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)c(O)c1 ZINC000289507369 131391420 /nfs/dbraw/zinc/39/14/20/131391420.db2.gz UIUXCIGDNFEBRB-UHFFFAOYSA-N 1 0 317.385 3.185 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1C ZINC000291641636 131588053 /nfs/dbraw/zinc/58/80/53/131588053.db2.gz BOFWVGDUWGNZDS-QGZVFWFLSA-N 1 0 305.805 3.486 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1OCCc2sccc21 ZINC000291680332 131591593 /nfs/dbraw/zinc/59/15/93/131591593.db2.gz HPGZDZUANTUJAV-SGTLLEGYSA-N 1 0 315.438 3.475 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nncn2-c2ccccc2)c(O)c1 ZINC000293934581 131784622 /nfs/dbraw/zinc/78/46/22/131784622.db2.gz YECLSKKZRLCRKA-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO CO[C@@H](C)c1nc(C[NH2+][C@@H]2CCc3cccc(O)c32)cs1 ZINC000297946433 132041396 /nfs/dbraw/zinc/04/13/96/132041396.db2.gz YJSFVOGHRQBIBQ-GXFFZTMASA-N 1 0 304.415 3.333 20 10 DGCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(OC)c1O ZINC000093688062 400251798 /nfs/dbraw/zinc/25/17/98/400251798.db2.gz VJVSVBYJBZFRSR-KRWDZBQOSA-N 1 0 315.413 3.174 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1 ZINC000075761070 400609837 /nfs/dbraw/zinc/60/98/37/400609837.db2.gz XDDYPRMUTJJUSG-UHFFFAOYSA-N 1 0 310.445 3.038 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000269086279 432153677 /nfs/dbraw/zinc/15/36/77/432153677.db2.gz PMZQNXPOMUJZMW-GKCIPKSASA-N 1 0 310.441 3.452 20 10 DGCDRO Cc1ccncc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269673336 432195966 /nfs/dbraw/zinc/19/59/66/432195966.db2.gz YAVCCZBSLAWQPX-GOSISDBHSA-N 1 0 312.413 3.277 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2CCN(C(C)=O)CC2)cc1 ZINC000151041620 432212689 /nfs/dbraw/zinc/21/26/89/432212689.db2.gz FJYHDHBCMMJGCF-HNNXBMFYSA-N 1 0 317.477 3.052 20 10 DGCDRO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000126554203 226999610 /nfs/dbraw/zinc/99/96/10/226999610.db2.gz VAPJUXXMWYWNTN-DFNIBXOVSA-N 1 0 300.446 3.165 20 10 DGCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc3ccccc3c1O)CC2 ZINC000185317752 228391143 /nfs/dbraw/zinc/39/11/43/228391143.db2.gz DGFQQSVSVKMFHR-IUODEOHRSA-N 1 0 322.412 3.111 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(n3cccn3)CC2)c1O ZINC000360465299 229396808 /nfs/dbraw/zinc/39/68/08/229396808.db2.gz FHRCGDICCSMHQW-UHFFFAOYSA-N 1 0 305.809 3.388 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000362033756 229417894 /nfs/dbraw/zinc/41/78/94/229417894.db2.gz VHHROUVGMSMSCN-AWEZNQCLSA-N 1 0 305.761 3.278 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 ZINC000376803164 273721906 /nfs/dbraw/zinc/72/19/06/273721906.db2.gz DXMYGNGLZKCAGS-MOPGFXCFSA-N 1 0 318.461 3.211 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CN(C)Cc3ccccc32)cc1F ZINC000378276436 273821379 /nfs/dbraw/zinc/82/13/79/273821379.db2.gz ZBSLOIUOZOLHLE-SFHVURJKSA-N 1 0 313.420 3.168 20 10 DGCDRO CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccsc1 ZINC000295912024 276827230 /nfs/dbraw/zinc/82/72/30/276827230.db2.gz JFZFPAGGKSMWDZ-CABCVRRESA-N 1 0 302.443 3.334 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(NC(N)=O)cc1 ZINC000297581032 278375531 /nfs/dbraw/zinc/37/55/31/278375531.db2.gz HCXLWMASWJBAHC-IAQYHMDHSA-N 1 0 311.385 3.221 20 10 DGCDRO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+](C)Cc1ccccc1O ZINC000121143242 431746989 /nfs/dbraw/zinc/74/69/89/431746989.db2.gz CNAHBKXCZZYZET-RBSFLKMASA-N 1 0 304.434 3.002 20 10 DGCDRO COc1cccc(C[N@H+](C)CCOc2ccc(F)cc2)c1O ZINC000121476489 431791955 /nfs/dbraw/zinc/79/19/55/431791955.db2.gz JTINNOQUOPKWPI-UHFFFAOYSA-N 1 0 305.349 3.051 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000092756248 431910882 /nfs/dbraw/zinc/91/08/82/431910882.db2.gz ALIZMJQQQDARSO-FQEVSTJZSA-N 1 0 313.489 3.347 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000089726495 431876612 /nfs/dbraw/zinc/87/66/12/431876612.db2.gz HXPORVNVTXGLNT-NSHDSACASA-N 1 0 302.330 3.160 20 10 DGCDRO C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000183527591 432300547 /nfs/dbraw/zinc/30/05/47/432300547.db2.gz MDGMQPHCMHGIEY-WFASDCNBSA-N 1 0 320.433 3.346 20 10 DGCDRO CCOc1ccc(O)c(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000271048306 432321327 /nfs/dbraw/zinc/32/13/27/432321327.db2.gz SQBOKGFLYAEWDM-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152401307 432330635 /nfs/dbraw/zinc/33/06/35/432330635.db2.gz OIAZLITVAMVKEV-CVEARBPZSA-N 1 0 301.478 3.278 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(C(=O)OC)CC2)cc1 ZINC000152980327 432374139 /nfs/dbraw/zinc/37/41/39/432374139.db2.gz WHKHQXBWMRLYPD-AWEZNQCLSA-N 1 0 319.449 3.024 20 10 DGCDRO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000271250933 432362271 /nfs/dbraw/zinc/36/22/71/432362271.db2.gz FDMYUFSWTDLMOE-UHFFFAOYSA-N 1 0 316.445 3.053 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1n1ccnc1 ZINC000271265732 432364415 /nfs/dbraw/zinc/36/44/15/432364415.db2.gz LTOQGRRFMNFXFV-KSSFIOAISA-N 1 0 316.424 3.171 20 10 DGCDRO CC[C@H]([NH2+]CCCCCO)c1cc(Br)ccc1O ZINC000192929062 432430522 /nfs/dbraw/zinc/43/05/22/432430522.db2.gz ISORXWGFJYEMJO-ZDUSSCGKSA-N 1 0 316.239 3.358 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1 ZINC000192940822 432432972 /nfs/dbraw/zinc/43/29/72/432432972.db2.gz FSJUNPIHUIHQTM-DOMZBBRYSA-N 1 0 320.458 3.416 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000184862264 432441564 /nfs/dbraw/zinc/44/15/64/432441564.db2.gz PRJBVTZKDXMGRK-CYBMUJFWSA-N 1 0 324.424 3.221 20 10 DGCDRO COCc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000184941914 432447550 /nfs/dbraw/zinc/44/75/50/432447550.db2.gz JXNRIGZWBLJVDI-ZDUSSCGKSA-N 1 0 301.386 3.398 20 10 DGCDRO C[C@H]([NH2+]CCCn1cccn1)c1ccc(Br)cc1O ZINC000184957377 432449012 /nfs/dbraw/zinc/44/90/12/432449012.db2.gz RSCABCYOWJEPKT-NSHDSACASA-N 1 0 324.222 3.092 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1cc(F)ccc1O)c1ccccc1Cl ZINC000184960329 432449335 /nfs/dbraw/zinc/44/93/35/432449335.db2.gz XZOXHBMAIAWVOX-MRXNPFEDSA-N 1 0 309.768 3.182 20 10 DGCDRO C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1cc(F)ccc1O ZINC000185027220 432457153 /nfs/dbraw/zinc/45/71/53/432457153.db2.gz YMSBKQLRJFADDE-JTQLQIEISA-N 1 0 308.319 3.066 20 10 DGCDRO CCN(CC)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000192848123 432420482 /nfs/dbraw/zinc/42/04/82/432420482.db2.gz YPPKSZXMOBCMMM-ALOPSCKCSA-N 1 0 319.468 3.387 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000271734300 432421974 /nfs/dbraw/zinc/42/19/74/432421974.db2.gz OCQINZMNEGMYJD-LJQANCHMSA-N 1 0 313.397 3.147 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cc(OC)cc(OC)c2)c1 ZINC000271719862 432422180 /nfs/dbraw/zinc/42/21/80/432422180.db2.gz JOFWOGFVGSNLBZ-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CSC)c1O ZINC000184700083 432422812 /nfs/dbraw/zinc/42/28/12/432422812.db2.gz BMNSDGJQFSFNBQ-LBPRGKRZSA-N 1 0 301.839 3.382 20 10 DGCDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccccc2O)N(C)C)c1 ZINC000192865332 432423425 /nfs/dbraw/zinc/42/34/25/432423425.db2.gz WWAOJVLAYLKEOP-RDTXWAMCSA-N 1 0 314.429 3.354 20 10 DGCDRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185215426 432479262 /nfs/dbraw/zinc/47/92/62/432479262.db2.gz UUPGXOPUTBSEOK-ZDUSSCGKSA-N 1 0 322.424 3.219 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)c1 ZINC000185251449 432483314 /nfs/dbraw/zinc/48/33/14/432483314.db2.gz RHPCTCZVFSHGOQ-OAHLLOKOSA-N 1 0 304.434 3.144 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC000185291508 432487349 /nfs/dbraw/zinc/48/73/49/432487349.db2.gz OXZRJDPAWXTCBX-LBPRGKRZSA-N 1 0 316.367 3.378 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1O ZINC000185445291 432501098 /nfs/dbraw/zinc/50/10/98/432501098.db2.gz GWUJUYTWSHUPNN-ICCXJUOJSA-N 1 0 314.223 3.109 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000185468448 432503600 /nfs/dbraw/zinc/50/36/00/432503600.db2.gz RFLODBQJAXSQFW-SOZUMNATSA-N 1 0 319.376 3.313 20 10 DGCDRO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000185474783 432504372 /nfs/dbraw/zinc/50/43/72/432504372.db2.gz HZMNNZPUTYDUSD-DGIBIBHMSA-N 1 0 303.855 3.243 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1 ZINC000185518730 432506724 /nfs/dbraw/zinc/50/67/24/432506724.db2.gz TXMHIYXEHQYBGQ-BZNIZROVSA-N 1 0 307.415 3.021 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)cc1 ZINC000193881809 432507556 /nfs/dbraw/zinc/50/75/56/432507556.db2.gz OAIXTTVIGILNIS-VNQPRFMTSA-N 1 0 304.434 3.135 20 10 DGCDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1ccccc1O ZINC000193911797 432508274 /nfs/dbraw/zinc/50/82/74/432508274.db2.gz GJZYSXLPRHYIEC-KRWDZBQOSA-N 1 0 312.413 3.171 20 10 DGCDRO COCCCN(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185553917 432509818 /nfs/dbraw/zinc/50/98/18/432509818.db2.gz FJLYKQFYXHYYCU-HNNXBMFYSA-N 1 0 316.445 3.164 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c1 ZINC000185079159 432463878 /nfs/dbraw/zinc/46/38/78/432463878.db2.gz WXQRXZMMBDIWTC-HNNXBMFYSA-N 1 0 312.413 3.010 20 10 DGCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000186030016 432554070 /nfs/dbraw/zinc/55/40/70/432554070.db2.gz IKAQBBSDGANPMQ-OLZOCXBDSA-N 1 0 321.442 3.019 20 10 DGCDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185677458 432522259 /nfs/dbraw/zinc/52/22/59/432522259.db2.gz NGJMYEGKWWYIHS-MNOVXSKESA-N 1 0 316.239 3.214 20 10 DGCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000185788212 432533723 /nfs/dbraw/zinc/53/37/23/432533723.db2.gz DEWQJRMIIKIHIG-HIFRSBDPSA-N 1 0 312.413 3.207 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c(O)c1 ZINC000185813089 432535566 /nfs/dbraw/zinc/53/55/66/432535566.db2.gz PCDJLYRPXNXEBR-YOEHRIQHSA-N 1 0 310.397 3.157 20 10 DGCDRO CC[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccccc1O ZINC000155256548 432546153 /nfs/dbraw/zinc/54/61/53/432546153.db2.gz NGVVHAJFGRHFGU-INIZCTEOSA-N 1 0 316.376 3.002 20 10 DGCDRO C[C@@H]([NH2+]CCCCCCO)c1ccc(Br)cc1O ZINC000186231545 432571962 /nfs/dbraw/zinc/57/19/62/432571962.db2.gz IVVCELAVXXLLQV-LLVKDONJSA-N 1 0 316.239 3.358 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186354985 432586593 /nfs/dbraw/zinc/58/65/93/432586593.db2.gz WZEHTVZGWQUYOY-KYABYICQSA-N 1 0 317.429 3.399 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1C ZINC000273467230 432601739 /nfs/dbraw/zinc/60/17/39/432601739.db2.gz FAZRCQDNZUEZJI-HRCADAONSA-N 1 0 318.461 3.307 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCCc2nccs2)c1O ZINC000273792750 432631065 /nfs/dbraw/zinc/63/10/65/432631065.db2.gz VRMHIOZCPTYQSK-UHFFFAOYSA-N 1 0 312.822 3.233 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177677439 432648059 /nfs/dbraw/zinc/64/80/59/432648059.db2.gz HIKCNLNYHJEJHE-MRXNPFEDSA-N 1 0 316.445 3.005 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1cc(F)ccc1O ZINC000187904764 432692219 /nfs/dbraw/zinc/69/22/19/432692219.db2.gz KZCGWMMDDDTUOU-FZKQIMNGSA-N 1 0 303.377 3.480 20 10 DGCDRO CC(C)OCCCC[NH2+]Cc1cc(Br)ccc1O ZINC000228565482 432718243 /nfs/dbraw/zinc/71/82/43/432718243.db2.gz XQJBWHCQWJMRDG-UHFFFAOYSA-N 1 0 316.239 3.450 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)c1 ZINC000228668622 432719123 /nfs/dbraw/zinc/71/91/23/432719123.db2.gz LUZIWZKXUQCHCQ-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C)o2)cc1 ZINC000265967145 432749553 /nfs/dbraw/zinc/74/95/53/432749553.db2.gz KBFKYQSIEFDKGH-QGZVFWFLSA-N 1 0 302.418 3.257 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccccc2OC(F)F)c1O ZINC000237224995 432782449 /nfs/dbraw/zinc/78/24/49/432782449.db2.gz RNSKFRIIJYRVMF-UHFFFAOYSA-N 1 0 309.312 3.292 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCCCC3)O1)OCO2 ZINC000276594647 432820719 /nfs/dbraw/zinc/82/07/19/432820719.db2.gz FCMVIRVYLDTXHT-AWEZNQCLSA-N 1 0 319.401 3.092 20 10 DGCDRO CO[C@@H](C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000276981558 432827614 /nfs/dbraw/zinc/82/76/14/432827614.db2.gz WAJSFKAUMJJHSZ-VHSXEESVSA-N 1 0 302.212 3.149 20 10 DGCDRO C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CC[S@]1=O ZINC000277779328 432875617 /nfs/dbraw/zinc/87/56/17/432875617.db2.gz WOEOSHZJRSNSEW-KSFYIVLOSA-N 1 0 320.502 3.020 20 10 DGCDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(F)ccc1O ZINC000278186038 432890058 /nfs/dbraw/zinc/89/00/58/432890058.db2.gz BVQQTYFKWQWAHE-MRVPVSSYSA-N 1 0 313.266 3.099 20 10 DGCDRO C[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296653905 432924459 /nfs/dbraw/zinc/92/44/59/432924459.db2.gz ZDGRODORQQOAHB-KBPBESRZSA-N 1 0 304.434 3.067 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)CC2 ZINC000296851384 432931689 /nfs/dbraw/zinc/93/16/89/432931689.db2.gz NFZJJSOQHUWQIS-DZGCQCFKSA-N 1 0 321.779 3.495 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@@H](C)O)c1O ZINC000279222864 432947203 /nfs/dbraw/zinc/94/72/03/432947203.db2.gz ZCPPEZBLFFJMQR-GHMZBOCLSA-N 1 0 316.239 3.275 20 10 DGCDRO C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000296537948 432920507 /nfs/dbraw/zinc/92/05/07/432920507.db2.gz QUYOPGKLGAKVSK-GHMZBOCLSA-N 1 0 316.239 3.214 20 10 DGCDRO CCn1nccc1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000279450669 432969387 /nfs/dbraw/zinc/96/93/87/432969387.db2.gz QDIPMFFDVWOHMD-UHFFFAOYSA-N 1 0 303.381 3.127 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289641113 432971501 /nfs/dbraw/zinc/97/15/01/432971501.db2.gz SMSMROOPPZMUEQ-MSOLQXFVSA-N 1 0 300.446 3.286 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1 ZINC000289640985 432971600 /nfs/dbraw/zinc/97/16/00/432971600.db2.gz MIIGBJPSMFIQKJ-UHFFFAOYSA-N 1 0 323.396 3.425 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1O ZINC000289814578 432974239 /nfs/dbraw/zinc/97/42/39/432974239.db2.gz SZPQCVHWADAXMK-HOCLYGCPSA-N 1 0 307.434 3.306 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000289914331 432978186 /nfs/dbraw/zinc/97/81/86/432978186.db2.gz RVBDFNOSNDGBPX-UXHICEINSA-N 1 0 310.441 3.008 20 10 DGCDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000289969047 432980909 /nfs/dbraw/zinc/98/09/09/432980909.db2.gz XGLRUNBHYQIFHB-ZDUSSCGKSA-N 1 0 308.422 3.175 20 10 DGCDRO CCOc1cccc(C[N@H+]2CCC3(CC(OCC)C3)C2)c1O ZINC000289972855 432981006 /nfs/dbraw/zinc/98/10/06/432981006.db2.gz ZMKSCRAWRLXYGD-UHFFFAOYSA-N 1 0 305.418 3.182 20 10 DGCDRO CC[C@H]([NH2+]CCc1cn[nH]c1)c1cc(Br)ccc1O ZINC000289978303 432981690 /nfs/dbraw/zinc/98/16/90/432981690.db2.gz XUBFNAOGQSFENF-ZDUSSCGKSA-N 1 0 324.222 3.161 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2COc3ccccc32)c1O ZINC000290071076 432987917 /nfs/dbraw/zinc/98/79/17/432987917.db2.gz FWGLLSUOKNHFFL-GFCCVEGCSA-N 1 0 319.788 3.320 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c(OC)n1 ZINC000290075961 432988617 /nfs/dbraw/zinc/98/86/17/432988617.db2.gz GJLYAXYXIADHFD-SNVBAGLBSA-N 1 0 322.792 3.309 20 10 DGCDRO CC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(C)cc1O ZINC000279921126 432998083 /nfs/dbraw/zinc/99/80/83/432998083.db2.gz AEBAJKICNVKYFP-OAHLLOKOSA-N 1 0 314.433 3.259 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2CCOCC2)c(C(F)(F)F)c1 ZINC000279956602 432999035 /nfs/dbraw/zinc/99/90/35/432999035.db2.gz OVSAHVLFYCASJH-UHFFFAOYSA-N 1 0 302.340 3.040 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1ccc(C)cc1O ZINC000280048445 433001212 /nfs/dbraw/zinc/00/12/12/433001212.db2.gz JKUUSQJABUWPSY-IEBWSBKVSA-N 1 0 315.413 3.484 20 10 DGCDRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297671384 433005764 /nfs/dbraw/zinc/00/57/64/433005764.db2.gz LAFNGMONCPICRZ-YJBOKZPZSA-N 1 0 322.408 3.054 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000290402334 433045524 /nfs/dbraw/zinc/04/55/24/433045524.db2.gz JNURCGBQFVWAEI-HNNXBMFYSA-N 1 0 315.417 3.468 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2ccccc2N(C)C)c1O ZINC000290234165 433018878 /nfs/dbraw/zinc/01/88/78/433018878.db2.gz TYBRUDQDIVPXKQ-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1O ZINC000290301375 433029329 /nfs/dbraw/zinc/02/93/29/433029329.db2.gz BHOFAPFJPDXNKK-INIZCTEOSA-N 1 0 313.825 3.181 20 10 DGCDRO Cc1cccc(C[N@@H+](Cc2ccco2)C2CCN(C)CC2)c1O ZINC000290318775 433030309 /nfs/dbraw/zinc/03/03/09/433030309.db2.gz CTWRWQGWDYTWFU-UHFFFAOYSA-N 1 0 314.429 3.390 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000290387328 433042355 /nfs/dbraw/zinc/04/23/55/433042355.db2.gz INHAIHAGXHRWBM-OAHLLOKOSA-N 1 0 301.390 3.078 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1F ZINC000373227184 433133487 /nfs/dbraw/zinc/13/34/87/433133487.db2.gz JHVMTPZSOZXKED-OAHLLOKOSA-N 1 0 316.424 3.005 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1OC ZINC000280775498 433170579 /nfs/dbraw/zinc/17/05/79/433170579.db2.gz PEWIKIGJALVVMV-KOMQPUFPSA-N 1 0 313.397 3.445 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000374282376 433182364 /nfs/dbraw/zinc/18/23/64/433182364.db2.gz DWGOUFCACHYQEZ-UHFFFAOYSA-N 1 0 300.377 3.244 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1ccc(N(C)C)cc1 ZINC000280838531 433194744 /nfs/dbraw/zinc/19/47/44/433194744.db2.gz AJGRLDYCHIVZMJ-QFBILLFUSA-N 1 0 317.477 3.052 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1ccc(N(C)C)cc1 ZINC000280838526 433195332 /nfs/dbraw/zinc/19/53/32/433195332.db2.gz AJGRLDYCHIVZMJ-LPHOPBHVSA-N 1 0 317.477 3.052 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000290997443 433216418 /nfs/dbraw/zinc/21/64/18/433216418.db2.gz APVCVKMNYHFJHF-NVXWUHKLSA-N 1 0 305.418 3.180 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291302201 433232283 /nfs/dbraw/zinc/23/22/83/433232283.db2.gz QRUWOLBLHVGZRF-GOSISDBHSA-N 1 0 317.816 3.182 20 10 DGCDRO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000291333803 433233503 /nfs/dbraw/zinc/23/35/03/433233503.db2.gz UYRHXCPECYUEHP-GOSISDBHSA-N 1 0 317.816 3.182 20 10 DGCDRO c1cnn([C@@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)c1 ZINC000291365114 433233907 /nfs/dbraw/zinc/23/39/07/433233907.db2.gz YTRBKZALIAPNHB-LJQANCHMSA-N 1 0 310.445 3.320 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291302203 433234242 /nfs/dbraw/zinc/23/42/42/433234242.db2.gz QRUWOLBLHVGZRF-SFHVURJKSA-N 1 0 317.816 3.182 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2cc(F)ccc2O)OCCc2sccc21 ZINC000291528367 433260423 /nfs/dbraw/zinc/26/04/23/433260423.db2.gz JVAIGNDHANISEA-INIZCTEOSA-N 1 0 307.390 3.171 20 10 DGCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc2ccccc2c1O ZINC000280884228 433211244 /nfs/dbraw/zinc/21/12/44/433211244.db2.gz BAYHGTWHYJYDGC-MCMMXHMISA-N 1 0 317.454 3.497 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCCC(F)(F)C1)OCO2 ZINC000291669243 433305731 /nfs/dbraw/zinc/30/57/31/433305731.db2.gz GCOFHDZXGFPMAO-LLVKDONJSA-N 1 0 313.344 3.426 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2(COC)CCC2)ccc1OC ZINC000282111988 433499546 /nfs/dbraw/zinc/49/95/46/433499546.db2.gz UBFLBHNZLSGLFU-UHFFFAOYSA-N 1 0 307.434 3.138 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000282321661 433565486 /nfs/dbraw/zinc/56/54/86/433565486.db2.gz TVHCUMNIVKHCPL-UHFFFAOYSA-N 1 0 323.849 3.261 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1OCCc2sccc21 ZINC000292695956 433587557 /nfs/dbraw/zinc/58/75/57/433587557.db2.gz BTVQPWWLCWKPCQ-QLJPJBMISA-N 1 0 307.390 3.385 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1O ZINC000293138651 433630646 /nfs/dbraw/zinc/63/06/46/433630646.db2.gz STKZHKNQPUFVMG-KRWDZBQOSA-N 1 0 323.408 3.011 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCC23CCC3)ccc1N1CCOCC1 ZINC000282427403 433604250 /nfs/dbraw/zinc/60/42/50/433604250.db2.gz YVQCRAXJHYYRTG-KRWDZBQOSA-N 1 0 304.409 3.085 20 10 DGCDRO CCCC[N@H+](CCCc1nc(C)no1)Cc1ccccc1O ZINC000282564134 433620570 /nfs/dbraw/zinc/62/05/70/433620570.db2.gz YSTKNRGJSRVTIW-UHFFFAOYSA-N 1 0 303.406 3.319 20 10 DGCDRO COCC[N@H+](Cc1ccc(N(C)C)c(C)c1)Cc1ccccn1 ZINC000293628083 433808453 /nfs/dbraw/zinc/80/84/53/433808453.db2.gz QWGTUZIPYKMFOP-UHFFFAOYSA-N 1 0 313.445 3.105 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293998966 433957998 /nfs/dbraw/zinc/95/79/98/433957998.db2.gz SQEHUNNJXHWFCT-UHFFFAOYSA-N 1 0 311.425 3.227 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c(O)c1 ZINC000294786297 434144546 /nfs/dbraw/zinc/14/45/46/434144546.db2.gz OBHXNXZNSAMBCB-PBHICJAKSA-N 1 0 308.491 3.097 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(C(F)(F)F)n2)c1 ZINC000294829886 434147415 /nfs/dbraw/zinc/14/74/15/434147415.db2.gz PVVMNBSEUNXFQX-UHFFFAOYSA-N 1 0 312.291 3.104 20 10 DGCDRO COC1CCN(c2ccc(C[N@H+](C)[C@H]3CCSC3)cc2)CC1 ZINC000294879398 434151646 /nfs/dbraw/zinc/15/16/46/434151646.db2.gz FBTGUXSQZFYNEK-KRWDZBQOSA-N 1 0 320.502 3.239 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1O ZINC000363927172 434189259 /nfs/dbraw/zinc/18/92/59/434189259.db2.gz NTUBOXAVSBCLQI-UHFFFAOYSA-N 1 0 321.808 3.157 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000295205976 434255859 /nfs/dbraw/zinc/25/58/59/434255859.db2.gz ZIFAVSSISWLICQ-CYBMUJFWSA-N 1 0 304.356 3.200 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000364068498 434222959 /nfs/dbraw/zinc/22/29/59/434222959.db2.gz SQHBRQOVTNJMOE-ROUUACIJSA-N 1 0 305.418 3.086 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000295309683 434298882 /nfs/dbraw/zinc/29/88/82/434298882.db2.gz VYGAXGAAPZCXRL-CYBMUJFWSA-N 1 0 313.825 3.037 20 10 DGCDRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1O ZINC000287275631 434319012 /nfs/dbraw/zinc/31/90/12/434319012.db2.gz JGKXIEPPDUHYJE-NSHDSACASA-N 1 0 324.222 3.092 20 10 DGCDRO O=C1CCCN1c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295933542 434443507 /nfs/dbraw/zinc/44/35/07/434443507.db2.gz KKWSPTPARZSEHW-QGZVFWFLSA-N 1 0 322.408 3.296 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C1CCN(Cc3ccncc3)CC1)CC2 ZINC000296123259 434515233 /nfs/dbraw/zinc/51/52/33/434515233.db2.gz VLIQDSRVMCTMRK-SFHVURJKSA-N 1 0 323.440 3.029 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1O ZINC000367687363 434554496 /nfs/dbraw/zinc/55/44/96/434554496.db2.gz QJOVPEISUHOHCS-HUUCEWRRSA-N 1 0 305.418 3.039 20 10 DGCDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000367969368 434563425 /nfs/dbraw/zinc/56/34/25/434563425.db2.gz ZARAQYHPQBJPDT-MGPUTAFESA-N 1 0 324.424 3.135 20 10 DGCDRO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(Cl)ccc1O ZINC000368477188 434575527 /nfs/dbraw/zinc/57/55/27/434575527.db2.gz DKOXISMRDYRODR-LBPRGKRZSA-N 1 0 319.836 3.472 20 10 DGCDRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185826700 295211391 /nfs/dbraw/zinc/21/13/91/295211391.db2.gz VNABEYRIMMENOO-KBXCAEBGSA-N 1 0 315.413 3.484 20 10 DGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000369797165 434601839 /nfs/dbraw/zinc/60/18/39/434601839.db2.gz SJEJXVSNNNOTDJ-KRWDZBQOSA-N 1 0 309.381 3.125 20 10 DGCDRO COc1cccc([C@H](C[NH2+][C@H](C)c2ccccc2O)OC)c1 ZINC000527920592 435017266 /nfs/dbraw/zinc/01/72/66/435017266.db2.gz NYSBLEYQLMETAZ-ACJLOTCBSA-N 1 0 301.386 3.439 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c(O)c1 ZINC000105442769 332251963 /nfs/dbraw/zinc/25/19/63/332251963.db2.gz SKMGNUOMQXZUPW-CQSZACIVSA-N 1 0 317.433 3.112 20 10 DGCDRO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000185703104 333212431 /nfs/dbraw/zinc/21/24/31/333212431.db2.gz MJHFCGORYGVFIK-GDBMZVCRSA-N 1 0 315.413 3.392 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(F)ccc1O ZINC000289846551 334168658 /nfs/dbraw/zinc/16/86/58/334168658.db2.gz QEWVNDGLWGECRD-SOVGHPHASA-N 1 0 315.388 3.348 20 10 DGCDRO COC[C@H]1CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000293532878 334198766 /nfs/dbraw/zinc/19/87/66/334198766.db2.gz BZQXHTRUFZSANO-QGZVFWFLSA-N 1 0 313.397 3.192 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000360039886 337084139 /nfs/dbraw/zinc/08/41/39/337084139.db2.gz ZNXGKPKSHDSFOD-USXIJHARSA-N 1 0 305.418 3.084 20 10 DGCDRO COc1cccc([C@H](C[NH2+]Cc2cccc(C)c2O)OC)c1 ZINC000529639277 340765989 /nfs/dbraw/zinc/76/59/89/340765989.db2.gz PSLJZGSNIQSYEV-KRWDZBQOSA-N 1 0 301.386 3.187 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]Cc2cccnc2C)c1O ZINC000529663607 340766991 /nfs/dbraw/zinc/76/69/91/340766991.db2.gz YAKURRVTAGREDA-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1 ZINC000295115638 534197803 /nfs/dbraw/zinc/19/78/03/534197803.db2.gz MJVWNZPZUCIHOM-AWEZNQCLSA-N 1 0 322.449 3.484 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000179828046 534198778 /nfs/dbraw/zinc/19/87/78/534198778.db2.gz JBPZUISZSFCCRR-UHFFFAOYSA-N 1 0 312.413 3.113 20 10 DGCDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2O)CC1 ZINC000228792322 518807366 /nfs/dbraw/zinc/80/73/66/518807366.db2.gz GDBQDKWCAVCTES-HNNXBMFYSA-N 1 0 320.433 3.271 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000180393936 534453656 /nfs/dbraw/zinc/45/36/56/534453656.db2.gz MYHWBGJCJACSBH-OAHLLOKOSA-N 1 0 304.365 3.051 20 10 DGCDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1ccccc1O)c1ccccc1 ZINC000191640048 521146365 /nfs/dbraw/zinc/14/63/65/521146365.db2.gz JKMZWWPIPHJMPF-IBGZPJMESA-N 1 0 313.397 3.003 20 10 DGCDRO CC[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+](CC)CC ZINC000265408214 521850092 /nfs/dbraw/zinc/85/00/92/521850092.db2.gz CSCYGKUHSCSOSU-SFHVURJKSA-N 1 0 317.477 3.023 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(C)cc1O ZINC000368446517 522759329 /nfs/dbraw/zinc/75/93/29/522759329.db2.gz KYZSEFLXRUWGDU-QILLFSRXSA-N 1 0 305.418 3.079 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2cccc(O)c2)cc1OC ZINC000180178874 522774410 /nfs/dbraw/zinc/77/44/10/522774410.db2.gz PUGQCSGMZPFMGI-GFCCVEGCSA-N 1 0 317.385 3.308 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](C)OC)c1cc(Br)ccc1O ZINC000191206464 522847838 /nfs/dbraw/zinc/84/78/38/522847838.db2.gz HKPPQDLQBBOIMT-BXKDBHETSA-N 1 0 302.212 3.230 20 10 DGCDRO COCC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000156034708 522935195 /nfs/dbraw/zinc/93/51/95/522935195.db2.gz VBJFKDGPGHRRQB-UHFFFAOYSA-N 1 0 314.223 3.013 20 10 DGCDRO C[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCSC1 ZINC000130478705 523163556 /nfs/dbraw/zinc/16/35/56/523163556.db2.gz OQXYYUBRWNSPTH-LLVKDONJSA-N 1 0 302.237 3.092 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1C ZINC000269114347 524087086 /nfs/dbraw/zinc/08/70/86/524087086.db2.gz DANXIMKEZQPJTG-WBVHZDCISA-N 1 0 307.459 3.148 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)CC(C)(C)C)CC2)cc1 ZINC000364460137 524404270 /nfs/dbraw/zinc/40/42/70/524404270.db2.gz TVQCVMCMYANCGL-KRWDZBQOSA-N 1 0 320.477 3.051 20 10 DGCDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccccc3O)C2=O)cc1 ZINC000189092505 524466172 /nfs/dbraw/zinc/46/61/72/524466172.db2.gz SLRHPKGNINZSNN-MAUKXSAKSA-N 1 0 324.424 3.152 20 10 DGCDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000156352465 524524533 /nfs/dbraw/zinc/52/45/33/524524533.db2.gz PFAPIIFFYFWOJI-MRXNPFEDSA-N 1 0 300.450 3.307 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2cccc(F)c2)c1 ZINC000182366096 524764136 /nfs/dbraw/zinc/76/41/36/524764136.db2.gz MCDGARNMIWQNLE-GFCCVEGCSA-N 1 0 305.349 3.270 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)c1 ZINC000188680918 524764214 /nfs/dbraw/zinc/76/42/14/524764214.db2.gz WZXCZZLFQOGMTB-ACJLOTCBSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000182432538 524771138 /nfs/dbraw/zinc/77/11/38/524771138.db2.gz QPBYCWMCBBYJAA-STQMWFEESA-N 1 0 314.385 3.079 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1C ZINC000157777029 525322833 /nfs/dbraw/zinc/32/28/33/525322833.db2.gz IYCCIGLOFQSXAZ-SFHVURJKSA-N 1 0 303.377 3.145 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000154873615 525339940 /nfs/dbraw/zinc/33/99/40/525339940.db2.gz OMKRYBYHPRFAEN-UHFFFAOYSA-N 1 0 320.433 3.190 20 10 DGCDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(OC)ccc3O)C2)cc1 ZINC000179955234 525420622 /nfs/dbraw/zinc/42/06/22/525420622.db2.gz SRTVJXBDSUZIAD-HNNXBMFYSA-N 1 0 313.397 3.399 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)c1cccc(F)c1 ZINC000267145614 525446208 /nfs/dbraw/zinc/44/62/08/525446208.db2.gz AXCYPGGOHCDNSV-SCLBCKFNSA-N 1 0 302.393 3.103 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000157617801 525496156 /nfs/dbraw/zinc/49/61/56/525496156.db2.gz OCTJQJSZAAKNMS-ACJLOTCBSA-N 1 0 302.393 3.276 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000264996354 526363167 /nfs/dbraw/zinc/36/31/67/526363167.db2.gz YKEKHVPAUVNMSZ-UHFFFAOYSA-N 1 0 322.758 3.162 20 10 DGCDRO OCC[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000265867712 527566215 /nfs/dbraw/zinc/56/62/15/527566215.db2.gz LOEMQLZYYIZIOS-CQSZACIVSA-N 1 0 305.805 3.301 20 10 DGCDRO CCOC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177366595 529029083 /nfs/dbraw/zinc/02/90/83/529029083.db2.gz AURBIDNSBAUCID-LBPRGKRZSA-N 1 0 311.809 3.107 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)[C@@]12CCCO2 ZINC000285394045 535512654 /nfs/dbraw/zinc/51/26/54/535512654.db2.gz WVUFQYIHZVLISX-RMRDIRSESA-N 1 0 319.445 3.386 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)[C@]12CCCO2 ZINC000274274096 535513091 /nfs/dbraw/zinc/51/30/91/535513091.db2.gz XDURTXNIISQXKK-VIBAHUMZSA-N 1 0 305.418 3.078 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c1 ZINC000288480232 535752933 /nfs/dbraw/zinc/75/29/33/535752933.db2.gz GKJWJBQAHMQURH-ACJLOTCBSA-N 1 0 301.386 3.003 20 10 DGCDRO CCN(CC)[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccsc1 ZINC000731869247 574561470 /nfs/dbraw/zinc/56/14/70/574561470.db2.gz DMRBIJGFRBPTIZ-ZDUSSCGKSA-N 1 0 324.471 3.328 20 10 DGCDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732285833 574570903 /nfs/dbraw/zinc/57/09/03/574570903.db2.gz JBSLWLZXWVSDTH-LBPRGKRZSA-N 1 0 318.442 3.313 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000733332062 574617080 /nfs/dbraw/zinc/61/70/80/574617080.db2.gz YCRUVHKJECYHAD-UHFFFAOYSA-N 1 0 305.761 3.107 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)Cc2cnccn2)cc1F ZINC000740003886 574917891 /nfs/dbraw/zinc/91/78/91/574917891.db2.gz AHWDTJODZXQPFC-CQSZACIVSA-N 1 0 316.424 3.183 20 10 DGCDRO CCN(CC)c1ccc(CNCC(C)(C)C[NH+](C)C)cc1F ZINC000740002021 574918009 /nfs/dbraw/zinc/91/80/09/574918009.db2.gz KXLJHGNZRMWNLA-UHFFFAOYSA-N 1 0 309.473 3.349 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)cc1C ZINC000742366337 574992594 /nfs/dbraw/zinc/99/25/94/574992594.db2.gz WQHWYLLWRVYFJS-UHFFFAOYSA-N 1 0 320.339 3.016 20 10 DGCDRO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000742368546 574992952 /nfs/dbraw/zinc/99/29/52/574992952.db2.gz CGYXEYMNSOGHAX-ZDUSSCGKSA-N 1 0 317.458 3.139 20 10 DGCDRO C[C@@H]1CCN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000744450211 575343951 /nfs/dbraw/zinc/34/39/51/575343951.db2.gz WNCAQIIFVZGKFR-MRXNPFEDSA-N 1 0 310.441 3.491 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000748246860 575575062 /nfs/dbraw/zinc/57/50/62/575575062.db2.gz QHBHWZDGLJCSDB-QGZVFWFLSA-N 1 0 317.433 3.401 20 10 DGCDRO CCC[N@H+](CC(=O)NC1CCCCCC1)Cc1ccccc1O ZINC000750874948 575757120 /nfs/dbraw/zinc/75/71/20/575757120.db2.gz JWGZYERKRJGFBG-UHFFFAOYSA-N 1 0 318.461 3.443 20 10 DGCDRO C[S@](=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000751150961 575772046 /nfs/dbraw/zinc/77/20/46/575772046.db2.gz CPTAZWOESRGLOO-FQEVSTJZSA-N 1 0 309.818 3.073 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1O ZINC000752264444 575829507 /nfs/dbraw/zinc/82/95/07/575829507.db2.gz DLZPWGNGITXKRC-VLXJIEOASA-N 1 0 313.397 3.444 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H](c1cccs1)C1CC1)OCO2 ZINC000725843939 575927232 /nfs/dbraw/zinc/92/72/32/575927232.db2.gz HZQZAMJBMFMRSU-INIZCTEOSA-N 1 0 303.383 3.423 20 10 DGCDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000725846641 575928688 /nfs/dbraw/zinc/92/86/88/575928688.db2.gz JYQFXKKEDPUDRS-GXFFZTMASA-N 1 0 301.342 3.127 20 10 DGCDRO CO[C@@H](C)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000726606630 576032344 /nfs/dbraw/zinc/03/23/44/576032344.db2.gz DLAHMUKOMOWPRT-AWEZNQCLSA-N 1 0 321.421 3.100 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccc(F)cc3)CCC1)OCO2 ZINC000726606110 576032585 /nfs/dbraw/zinc/03/25/85/576032585.db2.gz UKRHWDULPSOCLG-UHFFFAOYSA-N 1 0 315.344 3.429 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cnc4ccccc4n3)ccc21 ZINC000727644393 576135654 /nfs/dbraw/zinc/13/56/54/576135654.db2.gz JVZHPRNQQHONHH-UHFFFAOYSA-N 1 0 318.424 3.302 20 10 DGCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)c3cccc(F)c3)ccc21 ZINC000727645087 576136034 /nfs/dbraw/zinc/13/60/34/576136034.db2.gz YHBXBMKMVMVARY-LJQANCHMSA-N 1 0 314.404 3.031 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H](C[NH3+])CC(C)C)cc1 ZINC000852789463 620649013 /nfs/dbraw/zinc/64/90/13/620649013.db2.gz GPBLIGNHDDPGHU-KRWDZBQOSA-N 1 0 319.493 3.160 20 10 DGCDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000852796220 620649362 /nfs/dbraw/zinc/64/93/62/620649362.db2.gz AKKHVMBMCGSZKA-GOSISDBHSA-N 1 0 317.477 3.070 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCOCCF)c1O ZINC000853238324 620681055 /nfs/dbraw/zinc/68/10/55/620681055.db2.gz GHCKVAWIWSZJCN-SNVBAGLBSA-N 1 0 320.202 3.100 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853565088 620710459 /nfs/dbraw/zinc/71/04/59/620710459.db2.gz AFJLZWOLGJGARC-HNAYVOBHSA-N 1 0 303.446 3.466 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853566321 620710501 /nfs/dbraw/zinc/71/05/01/620710501.db2.gz NXMCCOMSQLQGPH-LIRRHRJNSA-N 1 0 319.445 3.167 20 10 DGCDRO COc1cc(O)c(C[N@H+](CCC2CC2)CC2CC2)cc1OC ZINC000853604962 620714922 /nfs/dbraw/zinc/71/49/22/620714922.db2.gz BMVDJGVZEWEGQK-UHFFFAOYSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(O)cc1C ZINC000853622175 620716492 /nfs/dbraw/zinc/71/64/92/620716492.db2.gz CUJNYKZMRIMEDV-KDURUIRLSA-N 1 0 317.429 3.102 20 10 DGCDRO Oc1ccccc1C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000033656546 620732011 /nfs/dbraw/zinc/73/20/11/620732011.db2.gz LGVQHNODQDQPFX-TWGQIWQCSA-N 1 0 308.425 3.223 20 10 DGCDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000806134152 617676423 /nfs/dbraw/zinc/67/64/23/617676423.db2.gz VAUWVVXQOWUEHV-ZWKOTPCHSA-N 1 0 302.462 3.438 20 10 DGCDRO CN(C)c1ccc([C@H](CNC(=O)CC2CCCC2)[NH+](C)C)cc1 ZINC000891257094 617761034 /nfs/dbraw/zinc/76/10/34/617761034.db2.gz CIEDJBKQYRQECR-SFHVURJKSA-N 1 0 317.477 3.052 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3[nH]c(=O)oc32)cc1 ZINC000891399817 617792417 /nfs/dbraw/zinc/79/24/17/617792417.db2.gz LZXAXCGPOIRFHN-UHFFFAOYSA-N 1 0 311.385 3.231 20 10 DGCDRO COc1ccc(C[N@@H+]2CCCc3ccccc3C2)c(O)c1OC ZINC000891931499 617928141 /nfs/dbraw/zinc/92/81/41/617928141.db2.gz KWYSILDBQYCVRP-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO COc1ccc(C[N@@H+]2CCCc3sccc3C2)c(O)c1OC ZINC000892005513 617943525 /nfs/dbraw/zinc/94/35/25/617943525.db2.gz WJYFAZSBOLJARK-UHFFFAOYSA-N 1 0 319.426 3.419 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCOC[C@@H]2CCCO2)c(Cl)c1 ZINC000840874166 618048839 /nfs/dbraw/zinc/04/88/39/618048839.db2.gz XLSXMCWEZPCJLD-ZDUSSCGKSA-N 1 0 313.825 3.029 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCN(C)CC(F)(F)F)c(Cl)c1 ZINC000840876169 618052105 /nfs/dbraw/zinc/05/21/05/618052105.db2.gz NEESDMMJOMGGIA-UHFFFAOYSA-N 1 0 324.774 3.328 20 10 DGCDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892410652 618059870 /nfs/dbraw/zinc/05/98/70/618059870.db2.gz SSCMDLQUICMCPO-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO Nc1cc(NCCCSc2nccs2)c(Cl)c[nH+]1 ZINC000892515277 618094834 /nfs/dbraw/zinc/09/48/34/618094834.db2.gz LBUOLOJYGUPWSS-UHFFFAOYSA-N 1 0 300.840 3.368 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2cnnn2C)c(C)n1-c1ccccc1 ZINC000926763619 618117035 /nfs/dbraw/zinc/11/70/35/618117035.db2.gz CXIVTRVGFSCQQC-AWEZNQCLSA-N 1 0 309.417 3.073 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000892613211 618118875 /nfs/dbraw/zinc/11/88/75/618118875.db2.gz SFERVYJXVZPNOZ-UHFFFAOYSA-N 1 0 318.442 3.131 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c(O)c1OC ZINC000892621137 618120777 /nfs/dbraw/zinc/12/07/77/618120777.db2.gz HRWBNYROJWMISK-BXUZGUMPSA-N 1 0 317.385 3.416 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC000840886864 618130991 /nfs/dbraw/zinc/13/09/91/618130991.db2.gz BGFIRGXMYUVEJJ-MAZHCROVSA-N 1 0 312.404 3.342 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1 ZINC000920180959 620789120 /nfs/dbraw/zinc/78/91/20/620789120.db2.gz OUNULMKCGDDZDH-GOSISDBHSA-N 1 0 303.494 3.497 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000840894045 618323745 /nfs/dbraw/zinc/32/37/45/618323745.db2.gz OUCXIKUCRYOHJM-HOTGVXAUSA-N 1 0 312.461 3.003 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(C)nc3c2CCCC3)c1O ZINC000894458637 618339553 /nfs/dbraw/zinc/33/95/53/618339553.db2.gz UKNARFBKOHWCPB-UHFFFAOYSA-N 1 0 312.413 3.273 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000894475010 618348666 /nfs/dbraw/zinc/34/86/66/618348666.db2.gz HWGXIIKIFQZIRF-QZTJIDSGSA-N 1 0 305.418 3.004 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1O ZINC000894475011 618349330 /nfs/dbraw/zinc/34/93/30/618349330.db2.gz HWGXIIKIFQZIRF-ROUUACIJSA-N 1 0 305.418 3.004 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000920415043 620799754 /nfs/dbraw/zinc/79/97/54/620799754.db2.gz DDFNRYFZRZEDIR-IBGZPJMESA-N 1 0 303.494 3.497 20 10 DGCDRO [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000894571593 618389251 /nfs/dbraw/zinc/38/92/51/618389251.db2.gz SUFKUNYXNSTMPS-CYBMUJFWSA-N 1 0 319.202 3.327 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCC23CCOCC3)c1O ZINC000894667479 618416524 /nfs/dbraw/zinc/41/65/24/618416524.db2.gz NHEILTLTFYRWCM-INIZCTEOSA-N 1 0 305.418 3.148 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1c(O)cccc1Cl)[C@H](O)C(F)(F)F ZINC000894682890 618422863 /nfs/dbraw/zinc/42/28/63/618422863.db2.gz DEZMMZRXWJSCQH-RYUDHWBXSA-N 1 0 311.731 3.083 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)c1O ZINC000894747772 618443809 /nfs/dbraw/zinc/44/38/09/618443809.db2.gz NOHPANYRAPBQDK-KDOFPFPSSA-N 1 0 315.413 3.229 20 10 DGCDRO CC(C)c1c[nH]c(C[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000894755361 618447297 /nfs/dbraw/zinc/44/72/97/618447297.db2.gz RSSKPNDBVGYNIL-UHFFFAOYSA-N 1 0 324.222 3.291 20 10 DGCDRO COc1cc(C)cc(CN2CCCC[C@H]2c2nc(C)no2)c1O ZINC000894757216 618447835 /nfs/dbraw/zinc/44/78/35/618447835.db2.gz UJTMURQMKYLCLD-AWEZNQCLSA-N 1 0 317.389 3.128 20 10 DGCDRO C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC000894766322 618452591 /nfs/dbraw/zinc/45/25/91/618452591.db2.gz PWBJHYGQBAHHNT-UHFFFAOYSA-N 1 0 320.383 3.364 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894798672 618460279 /nfs/dbraw/zinc/46/02/79/618460279.db2.gz FTSUERPARHWABS-IBGZPJMESA-N 1 0 318.461 3.310 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000894868239 618483552 /nfs/dbraw/zinc/48/35/52/618483552.db2.gz WSZYNFQPZJCRFF-LBPRGKRZSA-N 1 0 316.357 3.468 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1c(C)noc1C ZINC000893239201 618484281 /nfs/dbraw/zinc/48/42/81/618484281.db2.gz QWCAOEKPYHDGDU-ZDUSSCGKSA-N 1 0 320.389 3.255 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c(O)c1OC ZINC000894890643 618489033 /nfs/dbraw/zinc/48/90/33/618489033.db2.gz WQKPYCOSUMMPFY-HIFRSBDPSA-N 1 0 305.418 3.325 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1O ZINC000894894145 618490801 /nfs/dbraw/zinc/49/08/01/618490801.db2.gz DEPAIYKLMZZXFP-CQSZACIVSA-N 1 0 305.418 3.148 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1O ZINC000894902651 618495296 /nfs/dbraw/zinc/49/52/96/618495296.db2.gz KHVCWHWVVQFWAH-DOTOQJQBSA-N 1 0 309.450 3.088 20 10 DGCDRO COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(O)c1OC ZINC000893310411 618507388 /nfs/dbraw/zinc/50/73/88/618507388.db2.gz BIBLQEXTAMRQJL-UHFFFAOYSA-N 1 0 317.429 3.468 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c(O)c1OC ZINC000895009399 618509839 /nfs/dbraw/zinc/50/98/39/618509839.db2.gz WOKJCNBIAQRHSZ-QAPCUYQASA-N 1 0 317.360 3.136 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCc3ccccc32)c(Cl)c1 ZINC000840907684 618521882 /nfs/dbraw/zinc/52/18/82/618521882.db2.gz PFKGSWLOYPDUEY-GOSISDBHSA-N 1 0 317.816 3.278 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000840910577 618524115 /nfs/dbraw/zinc/52/41/15/618524115.db2.gz JRIMJGRNSMSPDE-CQSZACIVSA-N 1 0 308.853 3.414 20 10 DGCDRO COc1ccc(C[NH+]2CCC3(CC3(F)F)CC2)c(O)c1OC ZINC000895156756 618557711 /nfs/dbraw/zinc/55/77/11/618557711.db2.gz MQYMKSZSBMPTFU-UHFFFAOYSA-N 1 0 313.344 3.031 20 10 DGCDRO CN(C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)c1cccs1 ZINC000020000084 618563562 /nfs/dbraw/zinc/56/35/62/618563562.db2.gz NNUXTJTWZGQEDO-ZDUSSCGKSA-N 1 0 310.850 3.500 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)c2nc(C)cs2)c(O)c1OC ZINC000893562765 618603669 /nfs/dbraw/zinc/60/36/69/618603669.db2.gz FGDRXLCOVLIMAW-SNVBAGLBSA-N 1 0 322.430 3.068 20 10 DGCDRO C[C@@H]([NH2+]Cc1cn2ccnc2s1)c1ccc(N(C)C)cc1 ZINC000893684188 618638481 /nfs/dbraw/zinc/63/84/81/618638481.db2.gz OZNFRSWWRPOSFR-GFCCVEGCSA-N 1 0 300.431 3.313 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C(F)(F)F)CCCN2)c1 ZINC000925855655 618647295 /nfs/dbraw/zinc/64/72/95/618647295.db2.gz PROGJTOGTTXADC-BXUZGUMPSA-N 1 0 302.340 3.036 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC000840975162 618651405 /nfs/dbraw/zinc/65/14/05/618651405.db2.gz DFQWMXVJESZAKW-CYBMUJFWSA-N 1 0 320.868 3.169 20 10 DGCDRO CCCn1cc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840977511 618653231 /nfs/dbraw/zinc/65/32/31/618653231.db2.gz UZLAHDPVRYGWQC-MRXNPFEDSA-N 1 0 314.477 3.388 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)c(O)c1OC ZINC000893889963 618673135 /nfs/dbraw/zinc/67/31/35/618673135.db2.gz GUQSGIHEHFFHCA-NSHDSACASA-N 1 0 321.339 3.476 20 10 DGCDRO COCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@H]1CC[C@H](C)C1 ZINC000893998787 618691637 /nfs/dbraw/zinc/69/16/37/618691637.db2.gz AEXJROOFRSSOLS-ZFWWWQNUSA-N 1 0 323.433 3.046 20 10 DGCDRO COCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@H]1CC[C@@H](C)C1 ZINC000893998785 618691840 /nfs/dbraw/zinc/69/18/40/618691840.db2.gz AEXJROOFRSSOLS-HIFRSBDPSA-N 1 0 323.433 3.046 20 10 DGCDRO COc1ccc(C[NH2+]CC2(OC)CCC(C)CC2)c(O)c1OC ZINC000894158559 618721425 /nfs/dbraw/zinc/72/14/25/618721425.db2.gz GRBLCUWDSBBOPI-UHFFFAOYSA-N 1 0 323.433 3.094 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)Oc2ccccc2)c1O ZINC000894277648 618750131 /nfs/dbraw/zinc/75/01/31/618750131.db2.gz XZEQHRWMCYDZEL-AWEZNQCLSA-N 1 0 301.386 3.266 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)Oc2ccccc2F)c1O ZINC000894310076 618760498 /nfs/dbraw/zinc/76/04/98/618760498.db2.gz GQJWNCXVTCNGDB-ZDUSSCGKSA-N 1 0 319.376 3.405 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](CCO)C2CCCCC2)c1O ZINC000894366202 618772447 /nfs/dbraw/zinc/77/24/47/618772447.db2.gz FICMVKLJAUOPBR-INIZCTEOSA-N 1 0 307.434 3.130 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1O ZINC000895378092 618776074 /nfs/dbraw/zinc/77/60/74/618776074.db2.gz POSNUTVGNQAXFG-LLVKDONJSA-N 1 0 304.217 3.383 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCC23CCOCC3)c1O ZINC000895457670 618787149 /nfs/dbraw/zinc/78/71/49/618787149.db2.gz IEPAHWRABSKYLM-OAHLLOKOSA-N 1 0 305.418 3.006 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@](OC)(C(F)(F)F)C2)c1O ZINC000895572200 618800235 /nfs/dbraw/zinc/80/02/35/618800235.db2.gz BYSYYUIPSOEWPB-CQSZACIVSA-N 1 0 303.324 3.108 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1F ZINC000895582296 618804323 /nfs/dbraw/zinc/80/43/23/618804323.db2.gz KAWODSYELAAOOA-NSHDSACASA-N 1 0 323.412 3.477 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2cc(F)ccc2O)OCCc2ccccc21 ZINC000895639821 618811289 /nfs/dbraw/zinc/81/12/89/618811289.db2.gz PBTODFUYKGVVBN-SFHVURJKSA-N 1 0 301.361 3.109 20 10 DGCDRO COc1ccc(C[N@H+](CCO)Cc2cc(Cl)ccc2O)cc1 ZINC000895710082 618822844 /nfs/dbraw/zinc/82/28/44/618822844.db2.gz FWLVFHHPQIHYIQ-UHFFFAOYSA-N 1 0 321.804 3.049 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1O ZINC000895823272 618836582 /nfs/dbraw/zinc/83/65/82/618836582.db2.gz ZAVIUZGRQWCSMA-BDEJMISXSA-N 1 0 319.445 3.017 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(C)nc2Cl)c(O)c1OC ZINC000896005934 618860601 /nfs/dbraw/zinc/86/06/01/618860601.db2.gz HFORWIIRMZXJAN-UHFFFAOYSA-N 1 0 322.792 3.056 20 10 DGCDRO Cc1nc([C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)no1 ZINC000896229801 618888955 /nfs/dbraw/zinc/88/89/55/618888955.db2.gz FWMUMEHBIDCFQR-LLVKDONJSA-N 1 0 307.781 3.035 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896534111 618926005 /nfs/dbraw/zinc/92/60/05/618926005.db2.gz GKPGNWAYFATMMP-LBPRGKRZSA-N 1 0 306.406 3.443 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2c(C)cc(CO)cc2C)c1O ZINC000896559158 618927425 /nfs/dbraw/zinc/92/74/25/618927425.db2.gz UXUFLOJLQWLMAX-UHFFFAOYSA-N 1 0 315.413 3.108 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896811959 618963017 /nfs/dbraw/zinc/96/30/17/618963017.db2.gz QRKHRAJLMNJILW-AAEUAGOBSA-N 1 0 307.287 3.121 20 10 DGCDRO Cn1nc(C[NH2+]Cc2ccc3ccccc3c2O)cc1C1CC1 ZINC000897231452 619033188 /nfs/dbraw/zinc/03/31/88/619033188.db2.gz XDTICTCXLDLYCG-UHFFFAOYSA-N 1 0 307.397 3.446 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000897270027 619040199 /nfs/dbraw/zinc/04/01/99/619040199.db2.gz VRDMXLDCIFGXAA-MRXNPFEDSA-N 1 0 319.445 3.430 20 10 DGCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1c(C)cccc1O ZINC000897524068 619145503 /nfs/dbraw/zinc/14/55/03/619145503.db2.gz QNEGZNQQZNRGFR-AWEZNQCLSA-N 1 0 305.340 3.274 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c1O ZINC000897577877 619162813 /nfs/dbraw/zinc/16/28/13/619162813.db2.gz ZZICLIBMTQQEDS-AWEZNQCLSA-N 1 0 315.417 3.101 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000841032933 619167401 /nfs/dbraw/zinc/16/74/01/619167401.db2.gz HSYAALKZYOENQK-ZJUUUORDSA-N 1 0 303.233 3.177 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CC1(C)CCC2(CC1)OCCO2 ZINC000897714765 619175701 /nfs/dbraw/zinc/17/57/01/619175701.db2.gz BMZUGBJKPFQCCR-UHFFFAOYSA-N 1 0 305.418 3.114 20 10 DGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCS1 ZINC000897799317 619183669 /nfs/dbraw/zinc/18/36/69/619183669.db2.gz FRKPZJNELWXUHQ-INIZCTEOSA-N 1 0 320.502 3.287 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2CC(CCO)C2)c(C(F)(F)F)c1 ZINC000898010760 619202148 /nfs/dbraw/zinc/20/21/48/619202148.db2.gz KTDMWIGPIAZART-UHFFFAOYSA-N 1 0 316.367 3.022 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897982937 619203050 /nfs/dbraw/zinc/20/30/50/619203050.db2.gz RZDFJJKGWWVIRC-PLNGDYQASA-N 1 0 313.489 3.372 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)CC2 ZINC000926914751 619248323 /nfs/dbraw/zinc/24/83/23/619248323.db2.gz JAZJYSNJDPWIOL-SCRDCRAPSA-N 1 0 315.335 3.469 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(F)ccc1O ZINC000926962119 619252914 /nfs/dbraw/zinc/25/29/14/619252914.db2.gz KBTWZBKQNRCCMO-NOZJJQNGSA-N 1 0 308.319 3.065 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3ccccc3O)C2)n1 ZINC000927050915 619260439 /nfs/dbraw/zinc/26/04/39/619260439.db2.gz VSGSEMHXCOOTQY-XQQFMLRXSA-N 1 0 301.390 3.325 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000898452497 619276788 /nfs/dbraw/zinc/27/67/88/619276788.db2.gz YZGCQBOGJSXJBI-GOSISDBHSA-N 1 0 301.434 3.047 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCc3cccnc32)N(C)C)cc1 ZINC000898447957 619276855 /nfs/dbraw/zinc/27/68/55/619276855.db2.gz NSTYPHIBJPUJMP-MOPGFXCFSA-N 1 0 324.472 3.027 20 10 DGCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000898516208 619283180 /nfs/dbraw/zinc/28/31/80/619283180.db2.gz NZAZILZDBKMSMR-GDBMZVCRSA-N 1 0 305.418 3.039 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898516411 619283528 /nfs/dbraw/zinc/28/35/28/619283528.db2.gz RPCUQWVTDLNKOH-CABCVRRESA-N 1 0 305.418 3.039 20 10 DGCDRO CC(C)[NH+](Cc1cn(Cc2ccc(N(C)C)cc2)nn1)C(C)C ZINC000900534027 619435753 /nfs/dbraw/zinc/43/57/53/619435753.db2.gz ACTRUPKVFOZKLR-UHFFFAOYSA-N 1 0 315.465 3.011 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1O ZINC000903214281 619739642 /nfs/dbraw/zinc/73/96/42/619739642.db2.gz UHJQQLLZGBKWMZ-ZIAGYGMSSA-N 1 0 312.413 3.064 20 10 DGCDRO CC[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccc(C)cc1O ZINC000903220598 619741135 /nfs/dbraw/zinc/74/11/35/619741135.db2.gz PYAMNPKCBAYHPY-HNNXBMFYSA-N 1 0 319.474 3.460 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2c(C)cc(CO)cc2C)c1O ZINC000903303977 619754075 /nfs/dbraw/zinc/75/40/75/619754075.db2.gz XJLZMGQUCDDWMC-AWEZNQCLSA-N 1 0 315.413 3.361 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000903323377 619755726 /nfs/dbraw/zinc/75/57/26/619755726.db2.gz LPVLHZUPVKRZFV-GOEBONIOSA-N 1 0 305.441 3.171 20 10 DGCDRO CC[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1ccccc1O ZINC000903308616 619757104 /nfs/dbraw/zinc/75/71/04/619757104.db2.gz JUHOJOPPLFIOBH-WMZOPIPTSA-N 1 0 303.377 3.480 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(OC)CCSC2)cc1 ZINC000903309484 619757112 /nfs/dbraw/zinc/75/71/12/619757112.db2.gz FCSLMQQQTUDWDJ-PBHICJAKSA-N 1 0 308.491 3.315 20 10 DGCDRO CC(C)O[C@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCOC1 ZINC000903357535 619764558 /nfs/dbraw/zinc/76/45/58/619764558.db2.gz NAKYOWLKZLQSML-LRDDRELGSA-N 1 0 313.825 3.280 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1ccc(C)cc1O ZINC000903357570 619764690 /nfs/dbraw/zinc/76/46/90/619764690.db2.gz NUDONISHGNSPBC-AEFFLSMTSA-N 1 0 307.434 3.325 20 10 DGCDRO CC(C)O[C@]1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CCOC1 ZINC000903358749 619764924 /nfs/dbraw/zinc/76/49/24/619764924.db2.gz YWLUHNFIYBCSIJ-WBMJQRKESA-N 1 0 313.825 3.280 20 10 DGCDRO Cc1ccc([C@H](C)N[C@H](CC[NH+](C)C)c2cccnc2)c(O)c1 ZINC000903379399 619768227 /nfs/dbraw/zinc/76/82/27/619768227.db2.gz GLAKDISMNUEMAK-MAUKXSAKSA-N 1 0 313.445 3.439 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)c2c1c(F)ccc2O ZINC000903441154 619775922 /nfs/dbraw/zinc/77/59/22/619775922.db2.gz YGNKJFQXSIWOHS-NYGAIPDWSA-N 1 0 313.372 3.328 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccoc1 ZINC000903447806 619778154 /nfs/dbraw/zinc/77/81/54/619778154.db2.gz CUSWTTZTYJQYQK-KBXCAEBGSA-N 1 0 301.434 3.299 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)C1)c1ccc(C)cc1O ZINC000903449746 619778541 /nfs/dbraw/zinc/77/85/41/619778541.db2.gz BKNFHYPTVYEAJQ-LZWOXQAQSA-N 1 0 305.418 3.473 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN[C@H]2CC[NH2+]C23CCCC3)c1O ZINC000903487015 619781877 /nfs/dbraw/zinc/78/18/77/619781877.db2.gz ZUQBPRIFXFMYBG-HNNXBMFYSA-N 1 0 322.836 3.013 20 10 DGCDRO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000903948826 619844665 /nfs/dbraw/zinc/84/46/65/619844665.db2.gz VRRSHTVFXUSKAZ-QGZVFWFLSA-N 1 0 312.369 3.156 20 10 DGCDRO CCC[C@](C)([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000904930250 619961449 /nfs/dbraw/zinc/96/14/49/619961449.db2.gz HEZLJTMWRGAGDL-SFHVURJKSA-N 1 0 305.466 3.007 20 10 DGCDRO CC[C@@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000905034454 619965521 /nfs/dbraw/zinc/96/55/21/619965521.db2.gz KDHXOQLVJIWRIY-OAHLLOKOSA-N 1 0 316.367 3.080 20 10 DGCDRO Cn1nccc1[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000905741185 620025088 /nfs/dbraw/zinc/02/50/88/620025088.db2.gz LWBOOMQQFFFHSC-QGZVFWFLSA-N 1 0 308.385 3.011 20 10 DGCDRO CC[C@H]1COCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000151898532 620480165 /nfs/dbraw/zinc/48/01/65/620480165.db2.gz MPGLBOHASHYNDF-AWEZNQCLSA-N 1 0 301.386 3.165 20 10 DGCDRO COc1cc(C[N@@H+]2CCCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000754739469 620578182 /nfs/dbraw/zinc/57/81/82/620578182.db2.gz CCXXLOPEPFOHDP-CYBMUJFWSA-N 1 0 307.434 3.309 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2COc3ccccc3O2)cc1C ZINC000915824967 620600101 /nfs/dbraw/zinc/60/01/01/620600101.db2.gz MNMPLHGFIMFAQD-INIZCTEOSA-N 1 0 313.397 3.281 20 10 DGCDRO c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921516624 620895488 /nfs/dbraw/zinc/89/54/88/620895488.db2.gz CYCFAJSYLPLCGG-UHFFFAOYSA-N 1 0 319.408 3.487 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCc1ccccc1OC(F)F ZINC000788076583 620899815 /nfs/dbraw/zinc/89/98/15/620899815.db2.gz OXPAELWJTXWUOE-UHFFFAOYSA-N 1 0 323.339 3.335 20 10 DGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113335933 620904520 /nfs/dbraw/zinc/90/45/20/620904520.db2.gz KQQHOIWXTWYMIT-ZDUSSCGKSA-N 1 0 302.393 3.318 20 10 DGCDRO CN(CC[NH2+]Cc1c(O)cccc1Cl)C(=O)OC(C)(C)C ZINC000113333457 620904573 /nfs/dbraw/zinc/90/45/73/620904573.db2.gz ZLPAFRMHCBREAC-UHFFFAOYSA-N 1 0 314.813 3.002 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c1O ZINC000788077077 620906033 /nfs/dbraw/zinc/90/60/33/620906033.db2.gz SDQQNUYSBYDKCM-HNNXBMFYSA-N 1 0 317.433 3.054 20 10 DGCDRO C[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921611068 620913753 /nfs/dbraw/zinc/91/37/53/620913753.db2.gz DPKIVLBERCORCZ-NSHDSACASA-N 1 0 303.324 3.069 20 10 DGCDRO c1cnn(-c2ccccc2C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921619235 620915556 /nfs/dbraw/zinc/91/55/56/620915556.db2.gz NRPABWUFVVDAHF-UHFFFAOYSA-N 1 0 319.408 3.487 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cnn(CC4CCC4)c3)ccc21 ZINC000921625958 620917672 /nfs/dbraw/zinc/91/76/72/620917672.db2.gz TVDJXOHGHNSJJQ-UHFFFAOYSA-N 1 0 324.472 3.355 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cnn(C4CCC4)c3)ccc21 ZINC000921625961 620917701 /nfs/dbraw/zinc/91/77/01/620917701.db2.gz TXPYFZCKKLVGOW-UHFFFAOYSA-N 1 0 310.445 3.280 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](O)c1ccc(F)cc1 ZINC000921747981 620943764 /nfs/dbraw/zinc/94/37/64/620943764.db2.gz CASVHSIBFGGQNQ-DJJJIMSYSA-N 1 0 315.388 3.362 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921748525 620944014 /nfs/dbraw/zinc/94/40/14/620944014.db2.gz WIIAWCZXGWBMHC-UHFFFAOYSA-N 1 0 312.461 3.347 20 10 DGCDRO Cc1ccc2[nH]c(CNCc3ccc4c(c3)CCCO4)nc2c1 ZINC000921807830 620952824 /nfs/dbraw/zinc/95/28/24/620952824.db2.gz QIIAOPVRECUNRF-UHFFFAOYSA-N 1 0 307.397 3.486 20 10 DGCDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000921968372 620974389 /nfs/dbraw/zinc/97/43/89/620974389.db2.gz LVVRQMNPHFCSOS-HNNXBMFYSA-N 1 0 303.446 3.290 20 10 DGCDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1F ZINC000922215341 621006211 /nfs/dbraw/zinc/00/62/11/621006211.db2.gz GJAIIEWICXEGKX-YJYMSZOUSA-N 1 0 315.388 3.362 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)c1 ZINC000922213614 621006829 /nfs/dbraw/zinc/00/68/29/621006829.db2.gz PSNUEETWGRMNEK-LJISPDSOSA-N 1 0 305.418 3.257 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000114505292 621008300 /nfs/dbraw/zinc/00/83/00/621008300.db2.gz VAELFBLKHPYNIF-UHFFFAOYSA-N 1 0 300.402 3.023 20 10 DGCDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922225078 621009019 /nfs/dbraw/zinc/00/90/19/621009019.db2.gz QAJWLKHRADZNIH-SFHVURJKSA-N 1 0 322.408 3.055 20 10 DGCDRO c1cc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc3c(c2)CCCO3)ccn1 ZINC000922292420 621018011 /nfs/dbraw/zinc/01/80/11/621018011.db2.gz DNHKOLFXUYRWOT-MJGOQNOKSA-N 1 0 310.397 3.026 20 10 DGCDRO Cn1cc(CC[NH2+]Cc2ccc3c(c2)CCCO3)c2cccnc21 ZINC000922317421 621023804 /nfs/dbraw/zinc/02/38/04/621023804.db2.gz NVXPMSDAVOZJDO-UHFFFAOYSA-N 1 0 321.424 3.231 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)c(O)c1 ZINC000922470027 621040754 /nfs/dbraw/zinc/04/07/54/621040754.db2.gz KLALNCKFCAITTF-UHFFFAOYSA-N 1 0 304.415 3.026 20 10 DGCDRO OC[C@@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000922549456 621052791 /nfs/dbraw/zinc/05/27/91/621052791.db2.gz UHJJXGLXTYJRRG-MRXNPFEDSA-N 1 0 305.805 3.129 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2c(C)cc(CO)cc2C)c1O ZINC000922560214 621055511 /nfs/dbraw/zinc/05/55/11/621055511.db2.gz IEHNXJORSYAVAT-UHFFFAOYSA-N 1 0 315.413 3.190 20 10 DGCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2cccc(F)c2)cc1C ZINC000922567795 621057357 /nfs/dbraw/zinc/05/73/57/621057357.db2.gz VRLFPADMFDMMGR-SFHVURJKSA-N 1 0 303.377 3.140 20 10 DGCDRO CC(C)(/C=C\Cl)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922648790 621073236 /nfs/dbraw/zinc/07/32/36/621073236.db2.gz PYGQDTUXPTYBKU-WAYWQWQTSA-N 1 0 312.816 3.283 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1 ZINC000922811586 621102486 /nfs/dbraw/zinc/10/24/86/621102486.db2.gz KZQBVHGZENFZQD-INIZCTEOSA-N 1 0 305.418 3.372 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC000922839320 621107818 /nfs/dbraw/zinc/10/78/18/621107818.db2.gz SHJHOWQNYXDHKU-CMPLNLGQSA-N 1 0 300.418 3.405 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3O)C2)n1 ZINC000922865937 621109575 /nfs/dbraw/zinc/10/95/75/621109575.db2.gz LTQXRSZYLVUCKY-ZWNOBZJWSA-N 1 0 321.808 3.417 20 10 DGCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(C)c(C)cc3O)C2)n1 ZINC000922868335 621112194 /nfs/dbraw/zinc/11/21/94/621112194.db2.gz YDVAIKNUPYEWCS-ZFWWWQNUSA-N 1 0 315.417 3.380 20 10 DGCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)n1 ZINC000922871405 621112405 /nfs/dbraw/zinc/11/24/05/621112405.db2.gz FTKYLDOBRHLMPO-LSDHHAIUSA-N 1 0 315.417 3.375 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1O ZINC000115629356 621119185 /nfs/dbraw/zinc/11/91/85/621119185.db2.gz KWGNRJCOQCUBMH-UHFFFAOYSA-N 1 0 300.402 3.065 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)c(O)c1 ZINC000857875348 621126546 /nfs/dbraw/zinc/12/65/46/621126546.db2.gz KVWGWWHCVGDWNU-UGSOOPFHSA-N 1 0 310.397 3.065 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccccc1O ZINC000857875334 621126598 /nfs/dbraw/zinc/12/65/98/621126598.db2.gz KSFKAMCOGFREFB-SJLPKXTDSA-N 1 0 310.397 3.146 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875466 621126630 /nfs/dbraw/zinc/12/66/30/621126630.db2.gz PFZNBESSTNEPCR-FZKQIMNGSA-N 1 0 310.397 3.065 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1F ZINC000922896820 621128064 /nfs/dbraw/zinc/12/80/64/621128064.db2.gz PJAKIIGJTPBXGE-ACJLOTCBSA-N 1 0 324.415 3.326 20 10 DGCDRO CCOc1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c(O)c1 ZINC000922970003 621142092 /nfs/dbraw/zinc/14/20/92/621142092.db2.gz YXIAIUNNWDUMAH-OAHLLOKOSA-N 1 0 305.418 3.372 20 10 DGCDRO CCOCc1cc(C[NH2+][C@]23C[C@H]2COC32CCC2)ccc1OC ZINC000923032742 621149592 /nfs/dbraw/zinc/14/95/92/621149592.db2.gz KRIASNOMCDUNOX-QFBILLFUSA-N 1 0 317.429 3.033 20 10 DGCDRO C[C@H](O)c1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858106971 621153574 /nfs/dbraw/zinc/15/35/74/621153574.db2.gz VPDWXYNBRQVWFP-LBPRGKRZSA-N 1 0 320.383 3.374 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(F)c(F)c2N(C)C)c1 ZINC000858137241 621156982 /nfs/dbraw/zinc/15/69/82/621156982.db2.gz KFDUVWFUYAVWDC-UHFFFAOYSA-N 1 0 322.355 3.035 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCCNc2ccccn2)cc1F ZINC000858148808 621158810 /nfs/dbraw/zinc/15/88/10/621158810.db2.gz LXALOQSXBWGJKU-UHFFFAOYSA-N 1 0 320.387 3.018 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C2(CCO)CCCCC2)cc1F ZINC000858149148 621158981 /nfs/dbraw/zinc/15/89/81/621158981.db2.gz ZNIFLGIVJBLXDA-UHFFFAOYSA-N 1 0 312.404 3.206 20 10 DGCDRO Cc1cccnc1CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858172956 621160883 /nfs/dbraw/zinc/16/08/83/621160883.db2.gz MINMOCXECHMFKK-UHFFFAOYSA-N 1 0 319.399 3.457 20 10 DGCDRO CC[C@H]([NH2+]Cc1c(O)cccc1Br)[C@H](O)C(C)C ZINC000858177848 621161528 /nfs/dbraw/zinc/16/15/28/621161528.db2.gz HIVRWMSGMYKUOY-GXTWGEPZSA-N 1 0 316.239 3.040 20 10 DGCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000858177294 621161677 /nfs/dbraw/zinc/16/16/77/621161677.db2.gz OBSQOWVHXHHDSW-DIFFPNOSSA-N 1 0 312.404 3.324 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cc1F ZINC000858186095 621162456 /nfs/dbraw/zinc/16/24/56/621162456.db2.gz QJBITCUVFHWASS-ZWKOTPCHSA-N 1 0 324.415 3.468 20 10 DGCDRO COCC1([NH2+]Cc2c(O)cccc2Br)CCCC1 ZINC000858186555 621162483 /nfs/dbraw/zinc/16/24/83/621162483.db2.gz GIUZSPRKSZTZCB-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO C[C@H](COCC1CC1)[NH2+]Cc1c(O)cccc1Br ZINC000858183632 621162497 /nfs/dbraw/zinc/16/24/97/621162497.db2.gz JFXJVSSJZDPUBT-SNVBAGLBSA-N 1 0 314.223 3.059 20 10 DGCDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858184610 621162552 /nfs/dbraw/zinc/16/25/52/621162552.db2.gz NJFDZCIVKOMGNK-GWCFXTLKSA-N 1 0 316.239 3.041 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccncc3Cl)C2)cc1 ZINC000858187418 621162810 /nfs/dbraw/zinc/16/28/10/621162810.db2.gz UMARLNCWMPHFRS-CQSZACIVSA-N 1 0 317.820 3.112 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1 ZINC000858211695 621165108 /nfs/dbraw/zinc/16/51/08/621165108.db2.gz KYBSMJOWDQGBSX-LYSGITKLSA-N 1 0 322.452 3.497 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2COc3cccc(C)c3C2)c1O ZINC000858215420 621165478 /nfs/dbraw/zinc/16/54/78/621165478.db2.gz DXZPWCUQNYSJRU-HNNXBMFYSA-N 1 0 313.397 3.193 20 10 DGCDRO Oc1ccccc1C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000858222778 621166045 /nfs/dbraw/zinc/16/60/45/621166045.db2.gz XDIOKFXQDPNQCV-CZUORRHYSA-N 1 0 323.314 3.416 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)c(Br)cn2)c1 ZINC000858239682 621167183 /nfs/dbraw/zinc/16/71/83/621167183.db2.gz RVOIRROBQMJETD-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858245114 621167689 /nfs/dbraw/zinc/16/76/89/621167689.db2.gz CHNMUBOTCVZDLO-IWHGQQBYSA-N 1 0 301.478 3.087 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)c1O ZINC000858252096 621168678 /nfs/dbraw/zinc/16/86/78/621168678.db2.gz WTWPNRUJOXHATN-SFHVURJKSA-N 1 0 307.434 3.212 20 10 DGCDRO CCOc1ccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)c(O)c1 ZINC000858252239 621168870 /nfs/dbraw/zinc/16/88/70/621168870.db2.gz ZLCNBNKKOTWZFF-GOSISDBHSA-N 1 0 307.434 3.212 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000858286210 621171838 /nfs/dbraw/zinc/17/18/38/621171838.db2.gz UUQCXUXSFUZVJB-RRFGBZISSA-N 1 0 313.489 3.372 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc[nH]c2=O)cc1F ZINC000858304223 621173388 /nfs/dbraw/zinc/17/33/88/621173388.db2.gz KRSBANXWBJYXHX-UHFFFAOYSA-N 1 0 303.381 3.062 20 10 DGCDRO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000858473533 621195724 /nfs/dbraw/zinc/19/57/24/621195724.db2.gz PBVKXDDZFGVHQK-BLLLJJGKSA-N 1 0 315.413 3.183 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(N(C)C)cc1 ZINC000858478901 621196268 /nfs/dbraw/zinc/19/62/68/621196268.db2.gz DQAFGZJNIUFDBY-XJKSGUPXSA-N 1 0 311.420 3.133 20 10 DGCDRO C/C=C\C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000858536026 621202684 /nfs/dbraw/zinc/20/26/84/621202684.db2.gz DAJSVQARBPQWCG-XRVBUDJMSA-N 1 0 300.196 3.390 20 10 DGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000858543954 621203363 /nfs/dbraw/zinc/20/33/63/621203363.db2.gz QQAGPSZETZRFDS-SCTDSRPQSA-N 1 0 311.425 3.427 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccns1 ZINC000858579948 621206699 /nfs/dbraw/zinc/20/66/99/621206699.db2.gz ZNOFDEUGMHCBHJ-ZIAGYGMSSA-N 1 0 317.458 3.392 20 10 DGCDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000840808816 621209130 /nfs/dbraw/zinc/20/91/30/621209130.db2.gz MRILIEHZFBJMII-ZBFHGGJFSA-N 1 0 315.413 3.136 20 10 DGCDRO O=C(CC[N@@H+](Cc1ccccc1O)C1CCCC1)N1CCCC1 ZINC000838846358 621289840 /nfs/dbraw/zinc/28/98/40/621289840.db2.gz IMGJPDXYMXMSBJ-UHFFFAOYSA-N 1 0 316.445 3.149 20 10 DGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000839146317 621332939 /nfs/dbraw/zinc/33/29/39/621332939.db2.gz CIEYUINARLTKTA-TZMCWYRMSA-N 1 0 310.388 3.080 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CC2(C1)CCOCC2 ZINC000839140199 621340344 /nfs/dbraw/zinc/34/03/44/621340344.db2.gz BZBXOJCWTGFQSB-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO C[C@@H](CC1CC1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839143856 621340905 /nfs/dbraw/zinc/34/09/05/621340905.db2.gz CYYPZPMQSBZEOL-LBPRGKRZSA-N 1 0 310.388 3.080 20 10 DGCDRO COc1cc(O)c(C[NH2+]C2CCC(C(F)F)CC2)cc1OC ZINC000839178774 621343354 /nfs/dbraw/zinc/34/33/54/621343354.db2.gz BYXMTQAEVVCESW-UHFFFAOYSA-N 1 0 315.360 3.323 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c1O ZINC000839182840 621343963 /nfs/dbraw/zinc/34/39/63/621343963.db2.gz QILNZRSRYKPBPO-KGLIPLIRSA-N 1 0 311.809 3.101 20 10 DGCDRO C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000839182139 621344036 /nfs/dbraw/zinc/34/40/36/621344036.db2.gz LBLYVAFRGFNKJG-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO COc1cccc(O)c1CN(CC[NH+](C)C)Cc1ccsc1 ZINC000839186852 621345975 /nfs/dbraw/zinc/34/59/75/621345975.db2.gz POUKQFXJDODFAU-UHFFFAOYSA-N 1 0 320.458 3.026 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000839190488 621346509 /nfs/dbraw/zinc/34/65/09/621346509.db2.gz GLIZXYFRBNUQKD-CCKFTAQKSA-N 1 0 300.446 3.442 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839192099 621347051 /nfs/dbraw/zinc/34/70/51/621347051.db2.gz GUNBVEMCXUXRGJ-UHFFFAOYSA-N 1 0 318.804 3.484 20 10 DGCDRO Cc1noc(C2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)n1 ZINC000753373575 621438125 /nfs/dbraw/zinc/43/81/25/621438125.db2.gz MEZBQFMUAHUJID-UHFFFAOYSA-N 1 0 313.401 3.129 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)ccc1OC ZINC000753374167 621438307 /nfs/dbraw/zinc/43/83/07/621438307.db2.gz QGJZEXFVNDQAIJ-IAGOWNOFSA-N 1 0 307.434 3.135 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753545583 621447312 /nfs/dbraw/zinc/44/73/12/621447312.db2.gz FXFQGZVVHGMING-GOSISDBHSA-N 1 0 313.397 3.192 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(C)(C)O ZINC000753552472 621447977 /nfs/dbraw/zinc/44/79/77/621447977.db2.gz CSQPWERPOATWLC-CQSZACIVSA-N 1 0 315.413 3.220 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC(C)(C)C1 ZINC000753576839 621450339 /nfs/dbraw/zinc/45/03/39/621450339.db2.gz UZDHHDYIFWZXAY-INIZCTEOSA-N 1 0 302.462 3.391 20 10 DGCDRO CCOc1ccc(C[N@H+](C)C[C@@H](C)c2nccs2)c(O)c1 ZINC000753596181 621452553 /nfs/dbraw/zinc/45/25/53/621452553.db2.gz VXNAZYOXQTXUCN-GFCCVEGCSA-N 1 0 306.431 3.483 20 10 DGCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000753966562 621475475 /nfs/dbraw/zinc/47/54/75/621475475.db2.gz ZGVGMQTYMUZCKS-FQEVSTJZSA-N 1 0 312.457 3.442 20 10 DGCDRO CCC1CCC([N@H+](CCO)Cc2cc(OC)ccc2O)CC1 ZINC000754153498 621492018 /nfs/dbraw/zinc/49/20/18/621492018.db2.gz JEWUDEFBDNDDNJ-UHFFFAOYSA-N 1 0 307.434 3.164 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2c(C)noc2C)c1O ZINC000754158027 621492603 /nfs/dbraw/zinc/49/26/03/621492603.db2.gz MXVSXFSMNQLFMX-QMMMGPOBSA-N 1 0 306.337 3.190 20 10 DGCDRO COc1ccc(N2CC[NH+](CCOCCC(C)C)CC2)cc1F ZINC000754178147 621494211 /nfs/dbraw/zinc/49/42/11/621494211.db2.gz GGTCVFHCWYVFIH-UHFFFAOYSA-N 1 0 324.440 3.019 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CCO)c2cccs2)c1O ZINC000754392686 621508312 /nfs/dbraw/zinc/50/83/12/621508312.db2.gz CCLWSQMHWCSIOG-AWEZNQCLSA-N 1 0 323.389 3.009 20 10 DGCDRO Cc1cc(C)c(O)c(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000754720247 621527635 /nfs/dbraw/zinc/52/76/35/621527635.db2.gz OGZLPEPHVWDUSO-UHFFFAOYSA-N 1 0 302.462 3.459 20 10 DGCDRO COc1cc(C)cc(CN2CCC([NH+]3CCCCC3)CC2)c1O ZINC000754720881 621527869 /nfs/dbraw/zinc/52/78/69/621527869.db2.gz UVYOZDKQSWKSNP-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)CCN(C)c2ccccc2)c1O ZINC000754725997 621528599 /nfs/dbraw/zinc/52/85/99/621528599.db2.gz JMACKWUJELZCCI-UHFFFAOYSA-N 1 0 314.429 3.277 20 10 DGCDRO C[N@H+](Cc1c(O)cccc1Br)[C@H]1CCSC1 ZINC000862221041 621562762 /nfs/dbraw/zinc/56/27/62/621562762.db2.gz QFAOYFCEOBWHDO-VIFPVBQESA-N 1 0 302.237 3.092 20 10 DGCDRO CN(C)c1c(F)c(F)ccc1C[N@H+](C)Cc1ccccc1O ZINC000862228755 621564493 /nfs/dbraw/zinc/56/44/93/621564493.db2.gz WXDFXBKWTVRIFW-UHFFFAOYSA-N 1 0 306.356 3.368 20 10 DGCDRO CN(C)c1cc(F)c(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1F ZINC000862316476 621573756 /nfs/dbraw/zinc/57/37/56/621573756.db2.gz CJXXTRMWFQUBHV-AWEZNQCLSA-N 1 0 324.415 3.279 20 10 DGCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)C2 ZINC000862364564 621579003 /nfs/dbraw/zinc/57/90/03/621579003.db2.gz DCAJOXJWODDAPU-UHFFFAOYSA-N 1 0 324.415 3.422 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@]2(C)CCCO)cc1F ZINC000862368183 621579888 /nfs/dbraw/zinc/57/98/88/621579888.db2.gz DOQFJKJZVUOIIE-QGZVFWFLSA-N 1 0 312.404 3.158 20 10 DGCDRO COC[C@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862390317 621583491 /nfs/dbraw/zinc/58/34/91/621583491.db2.gz CEDDJAFYTGVCMK-ZDUSSCGKSA-N 1 0 312.404 3.279 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCN2CC(F)F)cc1Cl ZINC000862468282 621592763 /nfs/dbraw/zinc/59/27/63/621592763.db2.gz FCXSGJRXBBHDHR-GFCCVEGCSA-N 1 0 318.795 3.173 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000862526797 621596373 /nfs/dbraw/zinc/59/63/73/621596373.db2.gz DSVPFOXUEAOYDY-FGSXEWAUSA-N 1 0 320.502 3.018 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c(O)c1 ZINC000862540491 621599085 /nfs/dbraw/zinc/59/90/85/621599085.db2.gz GRPTYRXHMFWXPW-HNNXBMFYSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1cccc2c1CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000756033739 621610873 /nfs/dbraw/zinc/61/08/73/621610873.db2.gz IWYLFEUKTFWYEX-KRWDZBQOSA-N 1 0 309.409 3.277 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](Cc1ccccc1F)C1CC1)OCO2 ZINC000014303425 621621006 /nfs/dbraw/zinc/62/10/06/621621006.db2.gz RXBLZAVOUFTUIE-UHFFFAOYSA-N 1 0 315.344 3.425 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)c2c1c(F)ccc2O ZINC000756357033 621630721 /nfs/dbraw/zinc/63/07/21/621630721.db2.gz BIRAWZJSNNWHJM-VNHYZAJKSA-N 1 0 323.408 3.255 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c(O)c1C ZINC000756366929 621631786 /nfs/dbraw/zinc/63/17/86/621631786.db2.gz JUANYQXQYQYYDI-WMZOPIPTSA-N 1 0 320.477 3.016 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000756382569 621633462 /nfs/dbraw/zinc/63/34/62/621633462.db2.gz RMMPRJWGIQOHNC-SJKOYZFVSA-N 1 0 301.386 3.248 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)nc2)c2c1c(F)ccc2O ZINC000756401431 621635470 /nfs/dbraw/zinc/63/54/70/621635470.db2.gz PBVXXJQEBYWCRZ-RISCZKNCSA-N 1 0 315.392 3.330 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000756402810 621635601 /nfs/dbraw/zinc/63/56/01/621635601.db2.gz YXVXBEKXMIYPLW-ZYHUDNBSSA-N 1 0 314.223 3.374 20 10 DGCDRO Cc1nccn1CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756434014 621638295 /nfs/dbraw/zinc/63/82/95/621638295.db2.gz SWALXXVXFWHSDJ-RISCZKNCSA-N 1 0 303.381 3.264 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(Cl)ccc1O ZINC000756480588 621641149 /nfs/dbraw/zinc/64/11/49/621641149.db2.gz SKWMXXHAWUTVRS-LLVKDONJSA-N 1 0 319.792 3.120 20 10 DGCDRO CO[C@H](C)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756529946 621645471 /nfs/dbraw/zinc/64/54/71/621645471.db2.gz WJCBPTDOBUUQCT-NXEZZACHSA-N 1 0 302.212 3.230 20 10 DGCDRO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc2ccccc2c1O ZINC000756582544 621651395 /nfs/dbraw/zinc/65/13/95/621651395.db2.gz JUYVIBISBRNYOS-GDBMZVCRSA-N 1 0 315.413 3.392 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCOCC2CCOCC2)c(O)c1C ZINC000756602796 621652082 /nfs/dbraw/zinc/65/20/82/621652082.db2.gz FODNKNYDLMABIX-INIZCTEOSA-N 1 0 321.461 3.493 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2ccccc2C)c1 ZINC000756635837 621654513 /nfs/dbraw/zinc/65/45/13/621654513.db2.gz HRVXHPBRWMEZRH-SUMWQHHRSA-N 1 0 301.386 3.093 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2csc(N(C)C)n2)c2c1c(F)ccc2O ZINC000756635791 621654795 /nfs/dbraw/zinc/65/47/95/621654795.db2.gz HMQDFHHSVZEJJO-JOYOIKCWSA-N 1 0 321.421 3.392 20 10 DGCDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000756646226 621655758 /nfs/dbraw/zinc/65/57/58/621655758.db2.gz JQSQWIQDCZLBMY-TYILLQQXSA-N 1 0 314.473 3.404 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000756659186 621656571 /nfs/dbraw/zinc/65/65/71/621656571.db2.gz PAWAJGOTVASKQH-NSHDSACASA-N 1 0 313.323 3.310 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(F)ccc1O ZINC000756661155 621656970 /nfs/dbraw/zinc/65/69/70/621656970.db2.gz YSAVYESOIZPDKF-SECBINFHSA-N 1 0 317.286 3.141 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccco2)c2c1c(F)ccc2O ZINC000756659293 621657211 /nfs/dbraw/zinc/65/72/11/621657211.db2.gz CQHLPTKZDZUUQW-TYNCELHUSA-N 1 0 319.376 3.113 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)c(O)c1C ZINC000756660720 621657215 /nfs/dbraw/zinc/65/72/15/621657215.db2.gz ORAUSAWRCQRFOA-GJZGRUSLSA-N 1 0 303.402 3.104 20 10 DGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756663121 621657240 /nfs/dbraw/zinc/65/72/40/621657240.db2.gz GQGDRAGILAURAR-ZDUSSCGKSA-N 1 0 317.433 3.164 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000756707568 621659699 /nfs/dbraw/zinc/65/96/99/621659699.db2.gz JJZPXMCZXNIMHJ-CYBMUJFWSA-N 1 0 316.357 3.338 20 10 DGCDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O ZINC000756709554 621659967 /nfs/dbraw/zinc/65/99/67/621659967.db2.gz VLXYFEKDGLFQGN-NSHDSACASA-N 1 0 320.320 3.169 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc2ccccc2c1O ZINC000756731087 621661166 /nfs/dbraw/zinc/66/11/66/621661166.db2.gz DKYCWHASYRCSJD-OVAAFMSASA-N 1 0 324.424 3.205 20 10 DGCDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756734027 621661367 /nfs/dbraw/zinc/66/13/67/621661367.db2.gz UPPBHURMPKVLJX-ZYHUDNBSSA-N 1 0 316.239 3.356 20 10 DGCDRO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756734026 621661453 /nfs/dbraw/zinc/66/14/53/621661453.db2.gz UPPBHURMPKVLJX-PWSUYJOCSA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1cc(F)ccc1O ZINC000756756971 621662384 /nfs/dbraw/zinc/66/23/84/621662384.db2.gz ASUJKEMUWOOWLQ-TZMCWYRMSA-N 1 0 317.360 3.412 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H](CCF)C3)c2c1 ZINC000863318197 621662685 /nfs/dbraw/zinc/66/26/85/621662685.db2.gz UMGYROIYLBURMH-HNNXBMFYSA-N 1 0 319.376 3.114 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Br)ccc1O ZINC000756771359 621663234 /nfs/dbraw/zinc/66/32/34/621663234.db2.gz WGWLEJDWPLQMPP-DLOVCJGASA-N 1 0 314.223 3.109 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000756765474 621663455 /nfs/dbraw/zinc/66/34/55/621663455.db2.gz OSTFVSLNOACGPW-GJZGRUSLSA-N 1 0 305.418 3.079 20 10 DGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C2 ZINC000756774913 621663747 /nfs/dbraw/zinc/66/37/47/621663747.db2.gz MHQHJKDBRNNKEE-SMDDNHRTSA-N 1 0 317.360 3.194 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000756775698 621663930 /nfs/dbraw/zinc/66/39/30/621663930.db2.gz RGPVJCJTWNIDQQ-XHDPSFHLSA-N 1 0 323.795 3.439 20 10 DGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(F)(F)F ZINC000756835500 621667110 /nfs/dbraw/zinc/66/71/10/621667110.db2.gz NJMZZDJXSVRUQT-BONVTDFDSA-N 1 0 317.351 3.499 20 10 DGCDRO Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000863649404 621693420 /nfs/dbraw/zinc/69/34/20/621693420.db2.gz DBUXMPIXOFBSEY-UHFFFAOYSA-N 1 0 311.429 3.155 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000757865451 621743766 /nfs/dbraw/zinc/74/37/66/621743766.db2.gz GPKIGEWQFRMYRT-DOTOQJQBSA-N 1 0 307.434 3.020 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCOCC3)CC1)CCC2 ZINC000789528339 625517862 /nfs/dbraw/zinc/51/78/62/625517862.db2.gz FBSASKWPEXVLID-UHFFFAOYSA-N 1 0 301.430 3.274 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc3c(cnn3C)c2)cc1 ZINC000865418008 621915765 /nfs/dbraw/zinc/91/57/65/621915765.db2.gz GBZGCRNDGBFPCV-UHFFFAOYSA-N 1 0 323.444 3.104 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccnn2CC2CCC2)cc1F ZINC000865437446 621921195 /nfs/dbraw/zinc/92/11/95/621921195.db2.gz MKLDGHMSYJXRNH-UHFFFAOYSA-N 1 0 316.424 3.178 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1F ZINC000760448790 621941364 /nfs/dbraw/zinc/94/13/64/621941364.db2.gz ABOVJPULMKJTQL-AWEZNQCLSA-N 1 0 322.346 3.075 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000865650990 621970935 /nfs/dbraw/zinc/97/09/35/621970935.db2.gz SOMZFVHYVSOSBL-MJGOQNOKSA-N 1 0 313.397 3.411 20 10 DGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000760885973 621971786 /nfs/dbraw/zinc/97/17/86/621971786.db2.gz NDBOGARNYHFYPH-BOFPYLFWSA-N 1 0 319.445 3.116 20 10 DGCDRO C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)CC1(C)OCCO1 ZINC000865672397 621975812 /nfs/dbraw/zinc/97/58/12/621975812.db2.gz JJSRSOFERDORKO-JFDDCEBESA-N 1 0 318.461 3.145 20 10 DGCDRO COc1cccc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1O ZINC000865726319 621984513 /nfs/dbraw/zinc/98/45/13/621984513.db2.gz LNOJGVCGSYTHPH-MRXNPFEDSA-N 1 0 305.418 3.230 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000865762111 621990661 /nfs/dbraw/zinc/99/06/61/621990661.db2.gz LOYOUPYKIRHCIA-RDTXWAMCSA-N 1 0 305.418 3.086 20 10 DGCDRO Cc1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c(C)o1 ZINC000761224404 621995542 /nfs/dbraw/zinc/99/55/42/621995542.db2.gz ZTHYVFBKIOJVFK-UHFFFAOYSA-N 1 0 302.418 3.473 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1F ZINC000865785291 621995676 /nfs/dbraw/zinc/99/56/76/621995676.db2.gz RBOQZWGKXSZXOZ-HOTGVXAUSA-N 1 0 306.425 3.044 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H]2c3ccccc3CN2C)c1O ZINC000865806127 621998412 /nfs/dbraw/zinc/99/84/12/621998412.db2.gz GONGDAHOPJSYGE-QGZVFWFLSA-N 1 0 312.413 3.067 20 10 DGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2O)nc1 ZINC000789594879 625532173 /nfs/dbraw/zinc/53/21/73/625532173.db2.gz NKMAFYVZLLZACP-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2CCCn3nccc32)ccc1OC ZINC000865871784 622012114 /nfs/dbraw/zinc/01/21/14/622012114.db2.gz LQVVWAJIRZXQAY-INIZCTEOSA-N 1 0 315.417 3.053 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000762612195 622086417 /nfs/dbraw/zinc/08/64/17/622086417.db2.gz CXCPGSFRCPLDJL-OWCLPIDISA-N 1 0 308.516 3.222 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(N2CCCCCC2)cc1 ZINC000866414291 622113684 /nfs/dbraw/zinc/11/36/84/622113684.db2.gz CJQWZLNEODACKC-XYJFISCASA-N 1 0 302.462 3.489 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1O ZINC000866463169 622122467 /nfs/dbraw/zinc/12/24/67/622122467.db2.gz KMENWGFHYRTGSS-SXMVTHIZSA-N 1 0 311.731 3.316 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000866463168 622122475 /nfs/dbraw/zinc/12/24/75/622122475.db2.gz KMENWGFHYRTGSS-JOAULVNJSA-N 1 0 311.731 3.316 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(F)ccc1O ZINC000866477754 622124336 /nfs/dbraw/zinc/12/43/36/622124336.db2.gz BMPUKVSKOOZOIB-LBPRGKRZSA-N 1 0 301.361 3.455 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c1O ZINC000866491244 622126779 /nfs/dbraw/zinc/12/67/79/622126779.db2.gz OKYUQPXXNCFMNY-XGWLTEMNSA-N 1 0 305.418 3.399 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)c(O)c1 ZINC000866530365 622132703 /nfs/dbraw/zinc/13/27/03/622132703.db2.gz AAPWFSTUYZZIEK-JKSUJKDBSA-N 1 0 319.445 3.245 20 10 DGCDRO O=c1[nH]c2c(cc1C[NH2+][C@@H]1CCc3cccc(O)c31)CCCC2 ZINC000866642106 622152814 /nfs/dbraw/zinc/15/28/14/622152814.db2.gz CGTSLZMWJRUYNT-MRXNPFEDSA-N 1 0 310.397 3.149 20 10 DGCDRO Cc1ccc(CN2CCCc3cc(C[NH3+])ccc32)nc1Cl ZINC000866659681 622153845 /nfs/dbraw/zinc/15/38/45/622153845.db2.gz RIAXWQYAJLECTQ-UHFFFAOYSA-N 1 0 301.821 3.455 20 10 DGCDRO CC[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)[NH+](CC)CC ZINC000764895871 622231051 /nfs/dbraw/zinc/23/10/51/622231051.db2.gz XFMWFOYUTAKECG-GOSISDBHSA-N 1 0 319.493 3.222 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000765359775 622260949 /nfs/dbraw/zinc/26/09/49/622260949.db2.gz YLHPMEQQQWLXMV-RDJZCZTQSA-N 1 0 323.440 3.209 20 10 DGCDRO COC[C@H](CC(C)C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000765638499 622279439 /nfs/dbraw/zinc/27/94/39/622279439.db2.gz NVKGPUDXLKZFEN-KRWDZBQOSA-N 1 0 320.477 3.315 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)N(C)C ZINC000765776973 622286375 /nfs/dbraw/zinc/28/63/75/622286375.db2.gz XZFYCNKPWWERSI-CABCVRRESA-N 1 0 307.457 3.417 20 10 DGCDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000765791404 622287456 /nfs/dbraw/zinc/28/74/56/622287456.db2.gz QXJDXGPRKSOYFR-LBPRGKRZSA-N 1 0 320.477 3.341 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)cc1 ZINC000765928024 622294659 /nfs/dbraw/zinc/29/46/59/622294659.db2.gz KDEMCIZYOMNANZ-CYBMUJFWSA-N 1 0 317.399 3.287 20 10 DGCDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765937627 622294899 /nfs/dbraw/zinc/29/48/99/622294899.db2.gz OXJUXLYZVKJGGM-APWZRJJASA-N 1 0 320.477 3.115 20 10 DGCDRO CC[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000766094437 622305581 /nfs/dbraw/zinc/30/55/81/622305581.db2.gz JUPGMAUMNOARNN-HXUWFJFHSA-N 1 0 324.468 3.323 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000789770314 625563151 /nfs/dbraw/zinc/56/31/51/625563151.db2.gz VBCIQHJGERNREJ-MRXNPFEDSA-N 1 0 318.804 3.402 20 10 DGCDRO C[C@@H]([NH2+]CCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000766525859 622336611 /nfs/dbraw/zinc/33/66/11/622336611.db2.gz CQHSVPFATGAAGT-GFCCVEGCSA-N 1 0 302.340 3.126 20 10 DGCDRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000766603055 622341293 /nfs/dbraw/zinc/34/12/93/622341293.db2.gz MDJIYMHIRLLKTJ-IAOVAPTHSA-N 1 0 306.475 3.068 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CC2CCC3(CC2)OCCO3)cc1 ZINC000789743642 625559765 /nfs/dbraw/zinc/55/97/65/625559765.db2.gz DRQCZPDRWMBDRL-UHFFFAOYSA-N 1 0 318.461 3.118 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c(O)c1 ZINC000767196973 622381952 /nfs/dbraw/zinc/38/19/52/622381952.db2.gz ZWMRVLZPNBYNCS-ROUUACIJSA-N 1 0 305.418 3.086 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(C)ccc2O)cc1OC ZINC000768168734 622443003 /nfs/dbraw/zinc/44/30/03/622443003.db2.gz MOFWOUSDNJBOLT-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000768181633 622443535 /nfs/dbraw/zinc/44/35/35/622443535.db2.gz SJVNSOBTEKXXGN-LBPRGKRZSA-N 1 0 319.788 3.317 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000768181631 622443696 /nfs/dbraw/zinc/44/36/96/622443696.db2.gz SJVNSOBTEKXXGN-GFCCVEGCSA-N 1 0 319.788 3.317 20 10 DGCDRO CC(C)CNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768228666 622446371 /nfs/dbraw/zinc/44/63/71/622446371.db2.gz HVBLCPLEUBDMOL-UHFFFAOYSA-N 1 0 324.852 3.030 20 10 DGCDRO OCCC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768236200 622447174 /nfs/dbraw/zinc/44/71/74/622447174.db2.gz AULFDCFAZRESCK-UHFFFAOYSA-N 1 0 302.462 3.271 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC000768239444 622447181 /nfs/dbraw/zinc/44/71/81/622447181.db2.gz WEVYWLIGBDASNI-LJQANCHMSA-N 1 0 313.397 3.364 20 10 DGCDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768440049 622456024 /nfs/dbraw/zinc/45/60/24/622456024.db2.gz NGSCRYQSULSLQA-KRWDZBQOSA-N 1 0 317.429 3.189 20 10 DGCDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768440053 622456413 /nfs/dbraw/zinc/45/64/13/622456413.db2.gz NGSCRYQSULSLQA-QGZVFWFLSA-N 1 0 317.429 3.189 20 10 DGCDRO COc1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c(O)cc1C ZINC000768446287 622457183 /nfs/dbraw/zinc/45/71/83/622457183.db2.gz JHMZLRFRUURMQG-QGZVFWFLSA-N 1 0 318.461 3.160 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]([C@H]3CCOC3)C1)CCCC2 ZINC000768461852 622457516 /nfs/dbraw/zinc/45/75/16/622457516.db2.gz GCKITAOIQLDQDM-IRXDYDNUSA-N 1 0 301.430 3.129 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]3COCC[C@H]31)CCCC2 ZINC000768462613 622458049 /nfs/dbraw/zinc/45/80/49/622458049.db2.gz ANSFZJFHZJOIAK-FUHWJXTLSA-N 1 0 301.430 3.272 20 10 DGCDRO Cc1nccn1CCC[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768461949 622458134 /nfs/dbraw/zinc/45/81/34/622458134.db2.gz IAKRUVJDHQJXTO-UHFFFAOYSA-N 1 0 313.445 3.298 20 10 DGCDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464127 622458156 /nfs/dbraw/zinc/45/81/56/622458156.db2.gz ZYSOYWKFQHXDMQ-XGWLTEMNSA-N 1 0 305.418 3.219 20 10 DGCDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462486 622458253 /nfs/dbraw/zinc/45/82/53/622458253.db2.gz LXBGOYKFDNJPAH-YOEHRIQHSA-N 1 0 305.418 3.219 20 10 DGCDRO Cc1cccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O ZINC000768531969 622462377 /nfs/dbraw/zinc/46/23/77/622462377.db2.gz IXVDCWUBVQYUMM-OAHLLOKOSA-N 1 0 317.351 3.226 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(N(C)C)cc1 ZINC000768840615 622480141 /nfs/dbraw/zinc/48/01/41/622480141.db2.gz GEYFIHMLWAIKQU-KXBFYZLASA-N 1 0 316.445 3.238 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)cc1 ZINC000768842037 622480251 /nfs/dbraw/zinc/48/02/51/622480251.db2.gz OPNNRHIKWRAEAF-QGZVFWFLSA-N 1 0 316.445 3.067 20 10 DGCDRO CCOc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1O ZINC000768893950 622483931 /nfs/dbraw/zinc/48/39/31/622483931.db2.gz WHHIGSQRGBXWJG-OAHLLOKOSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1cccc(O)c1CN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000768913121 622484912 /nfs/dbraw/zinc/48/49/12/622484912.db2.gz FNZKBBRRKADQDI-OWCLPIDISA-N 1 0 318.461 3.238 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000768936790 622486768 /nfs/dbraw/zinc/48/67/68/622486768.db2.gz HQQOXSDSMNUOGV-LJQANCHMSA-N 1 0 301.478 3.203 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)cc1F ZINC000768936553 622486774 /nfs/dbraw/zinc/48/67/74/622486774.db2.gz FNMOGLIDAMUOBN-KRWDZBQOSA-N 1 0 319.468 3.342 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000769160527 622503452 /nfs/dbraw/zinc/50/34/52/622503452.db2.gz IEKUEFKDYQBPRB-LJQANCHMSA-N 1 0 301.478 3.203 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000769290817 622514391 /nfs/dbraw/zinc/51/43/91/622514391.db2.gz JRSMPSZQIMYAMA-GJZGRUSLSA-N 1 0 304.434 3.004 20 10 DGCDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000769341628 622519062 /nfs/dbraw/zinc/51/90/62/622519062.db2.gz FMICNKRXYGVTRU-CYBMUJFWSA-N 1 0 322.836 3.023 20 10 DGCDRO CCCC[N@H+](CCOC)Cc1cc(Br)ccc1O ZINC000769389506 622523827 /nfs/dbraw/zinc/52/38/27/622523827.db2.gz PMONMVQRFDTXOC-UHFFFAOYSA-N 1 0 316.239 3.403 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000769399363 622524706 /nfs/dbraw/zinc/52/47/06/622524706.db2.gz PKGVBHPHCURGLH-IBGZPJMESA-N 1 0 313.397 3.148 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccco2)c2c1c(F)ccc2O ZINC000769412769 622525796 /nfs/dbraw/zinc/52/57/96/622525796.db2.gz ISTBOFFZSXGPHL-RAIGVLPGSA-N 1 0 305.349 3.386 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000769443112 622528208 /nfs/dbraw/zinc/52/82/08/622528208.db2.gz QBGBJJHDJXDDKU-PKOBYXMFSA-N 1 0 308.425 3.243 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2cccc(N(C)C)c2)c(O)c1 ZINC000769538861 622539241 /nfs/dbraw/zinc/53/92/41/622539241.db2.gz YPCUGDRHJRJIGI-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO CCOc1cccc(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000769548143 622539498 /nfs/dbraw/zinc/53/94/98/622539498.db2.gz FZGUDFPRWFUSQI-CRAIPNDOSA-N 1 0 307.434 3.426 20 10 DGCDRO CC[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+](CC)CC ZINC000769564021 622541184 /nfs/dbraw/zinc/54/11/84/622541184.db2.gz QPQVACVPCVCOQN-KRWDZBQOSA-N 1 0 318.461 3.008 20 10 DGCDRO CN(C)c1ccc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000769678751 622548896 /nfs/dbraw/zinc/54/88/96/622548896.db2.gz MJYZYGQWGBBQBJ-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO CCCCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850057 625577405 /nfs/dbraw/zinc/57/74/05/625577405.db2.gz MCLAQSBJUUQSCZ-UHFFFAOYSA-N 1 0 317.477 3.025 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(O)c1 ZINC000770319677 622621017 /nfs/dbraw/zinc/62/10/17/622621017.db2.gz AMDIVHWPQDWJTC-PBHICJAKSA-N 1 0 315.417 3.071 20 10 DGCDRO Oc1ccccc1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000770509464 622640498 /nfs/dbraw/zinc/64/04/98/622640498.db2.gz NCGIHMVZZWXHFS-UHFFFAOYSA-N 1 0 302.805 3.368 20 10 DGCDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000770505345 622640696 /nfs/dbraw/zinc/64/06/96/622640696.db2.gz QTRDILGUNDVUEJ-CQSZACIVSA-N 1 0 305.418 3.336 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCc3c(F)cccc3C2)c1O ZINC000123798922 622698969 /nfs/dbraw/zinc/69/89/69/622698969.db2.gz GHOOEEXFTSDSFM-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO CC[C@H]([NH2+]CCCSc1nccs1)[C@@H]1CCCOC1 ZINC000872038474 622767975 /nfs/dbraw/zinc/76/79/75/622767975.db2.gz NZCAHFKWFYOIHL-OLZOCXBDSA-N 1 0 300.493 3.420 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccnc(SC)c2)c(O)c1 ZINC000771882799 622809149 /nfs/dbraw/zinc/80/91/49/622809149.db2.gz SHTZSXQGBSGANL-UHFFFAOYSA-N 1 0 304.415 3.198 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccnc(SC)c2)c1O ZINC000771879549 622809171 /nfs/dbraw/zinc/80/91/71/622809171.db2.gz BOUXGQPRJXEUMG-UHFFFAOYSA-N 1 0 304.415 3.198 20 10 DGCDRO CN(C)c1ccc(CN(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000019363052 622849718 /nfs/dbraw/zinc/84/97/18/622849718.db2.gz GPHMDDJICSWVPT-UHFFFAOYSA-N 1 0 311.473 3.316 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872253702 622868100 /nfs/dbraw/zinc/86/81/00/622868100.db2.gz DVPSGKNWVYIACI-MJSXRHKHSA-N 1 0 310.388 3.122 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872254533 622868537 /nfs/dbraw/zinc/86/85/37/622868537.db2.gz HDASWCASLXRNRT-INIZCTEOSA-N 1 0 307.340 3.401 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)c1O ZINC000872257492 622870164 /nfs/dbraw/zinc/87/01/64/622870164.db2.gz RWFGFTOCBAZYPF-LBPRGKRZSA-N 1 0 305.752 3.210 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773012595 622967215 /nfs/dbraw/zinc/96/72/15/622967215.db2.gz WOMURQYWVNDYCB-ACJLOTCBSA-N 1 0 302.393 3.276 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@@H]3C1)oc1ccccc12 ZINC000872784222 622978690 /nfs/dbraw/zinc/97/86/90/622978690.db2.gz JAYPNJFKXWJEAW-OKILXGFUSA-N 1 0 309.365 3.370 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000773095367 622983214 /nfs/dbraw/zinc/98/32/14/622983214.db2.gz RTHUVMBGEPXYKU-QGZVFWFLSA-N 1 0 301.478 3.423 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)cc1 ZINC000773108301 622985897 /nfs/dbraw/zinc/98/58/97/622985897.db2.gz WAGLRRNQTQIFOO-AAEUAGOBSA-N 1 0 304.356 3.107 20 10 DGCDRO CCCCn1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC000773408180 623023553 /nfs/dbraw/zinc/02/35/53/623023553.db2.gz FNLKVUBTPKBJGH-UHFFFAOYSA-N 1 0 318.440 3.487 20 10 DGCDRO CCCCn1cc(C[NH2+]Cc2cc(OCC)ccc2O)c(C)n1 ZINC000773409282 623024253 /nfs/dbraw/zinc/02/42/53/623024253.db2.gz LKNRESCHPBEUQN-UHFFFAOYSA-N 1 0 317.433 3.386 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2([S@](C)=O)CCC2)cc1C ZINC000873119423 623040218 /nfs/dbraw/zinc/04/02/18/623040218.db2.gz GNUYCQKNRMKFHV-NRFANRHFSA-N 1 0 309.475 3.175 20 10 DGCDRO COc1ccc(C[NH2+]CCC(C)(F)F)cc1Cn1cccn1 ZINC000873130039 623042862 /nfs/dbraw/zinc/04/28/62/623042862.db2.gz YEBWPGGHLIVSBD-UHFFFAOYSA-N 1 0 309.360 3.075 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1C ZINC000873146772 623050279 /nfs/dbraw/zinc/05/02/79/623050279.db2.gz OEEKEHOJQARQAN-QGZVFWFLSA-N 1 0 316.445 3.027 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCC[C@@H]2CCOC2=O)cc1C ZINC000873159357 623056613 /nfs/dbraw/zinc/05/66/13/623056613.db2.gz LDUPYEUGWKZGJZ-MRXNPFEDSA-N 1 0 305.418 3.217 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC(CCC(=O)OC)CC2)cc1 ZINC000773765141 623070855 /nfs/dbraw/zinc/07/08/55/623070855.db2.gz GWGVLZWDBNTABZ-UHFFFAOYSA-N 1 0 318.461 3.308 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCCCC[C@H]2C(=O)OC)cc1 ZINC000773834910 623076888 /nfs/dbraw/zinc/07/68/88/623076888.db2.gz VJROVEVRIJTQOH-KRWDZBQOSA-N 1 0 304.434 3.060 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)C2CCC(NC(C)=O)CC2)cc1 ZINC000773841709 623078278 /nfs/dbraw/zinc/07/82/78/623078278.db2.gz UCCGFTCBLSOKKW-UHFFFAOYSA-N 1 0 317.477 3.022 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)cc1 ZINC000773841924 623078507 /nfs/dbraw/zinc/07/85/07/623078507.db2.gz XVWSYALQKZJQME-SFHVURJKSA-N 1 0 317.477 3.057 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC[NH2+]CC1 ZINC000873221159 623079392 /nfs/dbraw/zinc/07/93/92/623079392.db2.gz NHEWTDKKXPGWKY-SECBINFHSA-N 1 0 303.233 3.177 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1[O-] ZINC000873236157 623087022 /nfs/dbraw/zinc/08/70/22/623087022.db2.gz VHDRCZTYEQCRPQ-SFHVURJKSA-N 1 0 314.404 3.418 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCCCC1 ZINC000774484980 623151147 /nfs/dbraw/zinc/15/11/47/623151147.db2.gz UGSJXXFSQJTSKU-LSDHHAIUSA-N 1 0 317.477 3.241 20 10 DGCDRO CC(C)N(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000774483976 623151213 /nfs/dbraw/zinc/15/12/13/623151213.db2.gz NXTQKCXDIZJEQT-HZPDHXFCSA-N 1 0 319.493 3.437 20 10 DGCDRO CCCN(Cc1cn2cccc(F)c2n1)c1ccc(C[NH3+])cc1 ZINC000775139937 623235173 /nfs/dbraw/zinc/23/51/73/623235173.db2.gz GRVIPVTYTOKONQ-UHFFFAOYSA-N 1 0 312.392 3.349 20 10 DGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000775376177 623262280 /nfs/dbraw/zinc/26/22/80/623262280.db2.gz XGCXFSUTRZVICP-SFHVURJKSA-N 1 0 324.440 3.349 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccccc1O ZINC000775491005 623279888 /nfs/dbraw/zinc/27/98/88/623279888.db2.gz XPTPDACUPFMNOM-RHSMWYFYSA-N 1 0 319.376 3.012 20 10 DGCDRO CC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Cl)ccc1O ZINC000775551216 623288495 /nfs/dbraw/zinc/28/84/95/623288495.db2.gz JNYNKGCGGXJFDU-CYBMUJFWSA-N 1 0 320.824 3.214 20 10 DGCDRO CC[N@@H+](Cc1cccc(C)c1O)C[C@@H]1COc2ccccc2O1 ZINC000775642599 623300746 /nfs/dbraw/zinc/30/07/46/623300746.db2.gz MJPLFNJPYNMJCS-MRXNPFEDSA-N 1 0 313.397 3.363 20 10 DGCDRO CCc1nn(C)cc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000775649058 623303290 /nfs/dbraw/zinc/30/32/90/623303290.db2.gz KFTVRQLYJOQUGR-UHFFFAOYSA-N 1 0 312.461 3.213 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(CCc3cccs3)CC2)c1O ZINC000775651890 623304683 /nfs/dbraw/zinc/30/46/83/623304683.db2.gz RZVVSMURNLLHFO-UHFFFAOYSA-N 1 0 316.470 3.122 20 10 DGCDRO COc1ccc(O)c(CN2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000775695801 623314449 /nfs/dbraw/zinc/31/44/49/623314449.db2.gz CWHGIXRCBSYWLJ-UHFFFAOYSA-N 1 0 318.461 3.097 20 10 DGCDRO CCOC(=O)C1([N@H+](C)Cc2cccc(C)c2O)CCCCC1 ZINC000775724963 623320108 /nfs/dbraw/zinc/32/01/08/623320108.db2.gz PDWHTFXMRAWOHH-UHFFFAOYSA-N 1 0 305.418 3.398 20 10 DGCDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775835102 623339387 /nfs/dbraw/zinc/33/93/87/623339387.db2.gz FHOOFAMXZYQRHT-HNNXBMFYSA-N 1 0 311.429 3.350 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CCOCC1 ZINC000776029037 623367164 /nfs/dbraw/zinc/36/71/64/623367164.db2.gz UTISJPQFNYYKIO-INIZCTEOSA-N 1 0 309.381 3.029 20 10 DGCDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000776175420 623390205 /nfs/dbraw/zinc/39/02/05/623390205.db2.gz ZHHSBBQIYRAUNE-CYBMUJFWSA-N 1 0 302.393 3.318 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)Cc2cccc(O)c2)c(O)c1 ZINC000776174997 623390265 /nfs/dbraw/zinc/39/02/65/623390265.db2.gz UPTPQIQERDPLJB-CYBMUJFWSA-N 1 0 301.386 3.217 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c(O)c1 ZINC000776174998 623390330 /nfs/dbraw/zinc/39/03/30/623390330.db2.gz UPTPQIQERDPLJB-ZDUSSCGKSA-N 1 0 301.386 3.217 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@](C)(CO)c2ccccc2)c1O ZINC000776176098 623391912 /nfs/dbraw/zinc/39/19/12/623391912.db2.gz XXTVZTVTRGAQEI-QGZVFWFLSA-N 1 0 305.805 3.351 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)cc1OC ZINC000776249758 623401765 /nfs/dbraw/zinc/40/17/65/623401765.db2.gz XHBFGPCDWPMYEA-KRWDZBQOSA-N 1 0 323.433 3.094 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000776252393 623401932 /nfs/dbraw/zinc/40/19/32/623401932.db2.gz SVXYQIHPFXSGCA-MRXNPFEDSA-N 1 0 323.795 3.186 20 10 DGCDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCC1 ZINC000776256693 623402448 /nfs/dbraw/zinc/40/24/48/623402448.db2.gz GJFJNXIVHQADLA-AWEZNQCLSA-N 1 0 308.441 3.170 20 10 DGCDRO C[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000776268718 623404353 /nfs/dbraw/zinc/40/43/53/623404353.db2.gz FNUNESBEBHLWES-XUWVNRHRSA-N 1 0 317.477 3.191 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000777469907 623529150 /nfs/dbraw/zinc/52/91/50/623529150.db2.gz PHYQCCFWWSNBLX-QFBILLFUSA-N 1 0 303.494 3.305 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(Cl)cn3)cc2)CC1 ZINC000777507024 623533975 /nfs/dbraw/zinc/53/39/75/623533975.db2.gz MHNGPRXEMXSVDU-UHFFFAOYSA-N 1 0 316.836 3.099 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1 ZINC000790485068 625660534 /nfs/dbraw/zinc/66/05/34/625660534.db2.gz IIKQOFIHOMOUDZ-KRWDZBQOSA-N 1 0 306.450 3.001 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1C(C)C ZINC000790455281 625655997 /nfs/dbraw/zinc/65/59/97/625655997.db2.gz ZCPWKNNDXGQTMS-MRXNPFEDSA-N 1 0 316.445 3.021 20 10 DGCDRO CO[C@](C)(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000876531852 623635378 /nfs/dbraw/zinc/63/53/78/623635378.db2.gz RCAYMRIUNFIJIX-PKOBYXMFSA-N 1 0 319.445 3.188 20 10 DGCDRO CO[C@@](C)(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000876531851 623635723 /nfs/dbraw/zinc/63/57/23/623635723.db2.gz RCAYMRIUNFIJIX-MJGOQNOKSA-N 1 0 319.445 3.188 20 10 DGCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876579485 623650480 /nfs/dbraw/zinc/65/04/80/623650480.db2.gz SUOXROOQEPRDTA-LJQANCHMSA-N 1 0 302.462 3.268 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@](C)(OC)C3CC3)CC2)cc1 ZINC000876630798 623665061 /nfs/dbraw/zinc/66/50/61/623665061.db2.gz KZAJLNKDYVFNMA-IBGZPJMESA-N 1 0 318.461 3.022 20 10 DGCDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876657803 623672249 /nfs/dbraw/zinc/67/22/49/623672249.db2.gz RRKYMOUGSWJMOR-JKSUJKDBSA-N 1 0 302.462 3.268 20 10 DGCDRO CC(=O)N1CC[N@H+](Cc2c(C)cccc2O)CC12CCCCC2 ZINC000876804134 623709843 /nfs/dbraw/zinc/70/98/43/623709843.db2.gz MAAWSGUMSIJIEZ-UHFFFAOYSA-N 1 0 316.445 3.068 20 10 DGCDRO Cc1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c(O)c1 ZINC000876814278 623714760 /nfs/dbraw/zinc/71/47/60/623714760.db2.gz KSVFPXXPGONGJS-UHFFFAOYSA-N 1 0 313.323 3.085 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(Cc3cc(F)ccc3O)CC2)c1 ZINC000778995087 623718566 /nfs/dbraw/zinc/71/85/66/623718566.db2.gz MSMOBXKTHRGGNZ-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO COC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779001423 623719309 /nfs/dbraw/zinc/71/93/09/623719309.db2.gz RQKQAEAJMKKXLA-UWVGGRQHSA-N 1 0 302.212 3.149 20 10 DGCDRO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779009007 623720344 /nfs/dbraw/zinc/72/03/44/623720344.db2.gz HEGQXANFZVYQDN-UHFFFAOYSA-N 1 0 309.381 3.085 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)c1O ZINC000779050367 623725087 /nfs/dbraw/zinc/72/50/87/623725087.db2.gz OUNVRXJUIJPOGJ-VWYCJHECSA-N 1 0 316.239 3.273 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1F ZINC000779165245 623737375 /nfs/dbraw/zinc/73/73/75/623737375.db2.gz FOBZKQQIVCBDJM-QGZVFWFLSA-N 1 0 308.441 3.407 20 10 DGCDRO COc1ccc(O)c(CN(C)C(C)(C)C[NH+]2CCCCCC2)c1 ZINC000779192194 623740354 /nfs/dbraw/zinc/74/03/54/623740354.db2.gz LIPVJMPRQIFTCF-UHFFFAOYSA-N 1 0 320.477 3.487 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000876925510 623746073 /nfs/dbraw/zinc/74/60/73/623746073.db2.gz JHIOZALBGQPXLX-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO CO[C@@](C)(C[NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000876942816 623750639 /nfs/dbraw/zinc/75/06/39/623750639.db2.gz GGJSCKCIEBZUIJ-SFHVURJKSA-N 1 0 320.502 3.145 20 10 DGCDRO COCCOc1ccccc1C[NH2+]Cc1ccc(C)cc1O ZINC000876958451 623754876 /nfs/dbraw/zinc/75/48/76/623754876.db2.gz DKWCHDTVKKFXDM-UHFFFAOYSA-N 1 0 301.386 3.016 20 10 DGCDRO CSC(C)(C)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000876964004 623756360 /nfs/dbraw/zinc/75/63/60/623756360.db2.gz OTEAIQOOPSIYDM-UHFFFAOYSA-N 1 0 308.491 3.145 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3cc(C)ns3)CC2)cc1 ZINC000876998490 623763493 /nfs/dbraw/zinc/76/34/93/623763493.db2.gz IHJSGXQMCZGTEG-UHFFFAOYSA-N 1 0 317.458 3.219 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c(O)c1 ZINC000877005755 623764577 /nfs/dbraw/zinc/76/45/77/623764577.db2.gz ANZFSFGWDCMHCB-ZDUSSCGKSA-N 1 0 310.397 3.070 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000877058110 623778563 /nfs/dbraw/zinc/77/85/63/623778563.db2.gz VFNQSPDDABYIFP-HNNXBMFYSA-N 1 0 309.768 3.316 20 10 DGCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877068159 623782749 /nfs/dbraw/zinc/78/27/49/623782749.db2.gz MWZWDUSNWLPKJE-CRAIPNDOSA-N 1 0 320.502 3.021 20 10 DGCDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1c(C)cccc1O ZINC000877073508 623784388 /nfs/dbraw/zinc/78/43/88/623784388.db2.gz LXYUKNWGPLPMCL-CQSZACIVSA-N 1 0 301.386 3.266 20 10 DGCDRO COCCOc1cc(C)ccc1C[NH2+]Cc1c(C)cccc1O ZINC000877110002 623793311 /nfs/dbraw/zinc/79/33/11/623793311.db2.gz VYFXVRNDCARYNC-UHFFFAOYSA-N 1 0 315.413 3.324 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CC=CCC1 ZINC000877307504 623846272 /nfs/dbraw/zinc/84/62/72/623846272.db2.gz IAAZWIWLNAUDBQ-QGZVFWFLSA-N 1 0 314.473 3.436 20 10 DGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877413922 623874710 /nfs/dbraw/zinc/87/47/10/623874710.db2.gz UANNOJGDJOUDET-BEFAXECRSA-N 1 0 302.462 3.268 20 10 DGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877413923 623874766 /nfs/dbraw/zinc/87/47/66/623874766.db2.gz UANNOJGDJOUDET-DNVCBOLYSA-N 1 0 302.462 3.268 20 10 DGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877432304 623879757 /nfs/dbraw/zinc/87/97/57/623879757.db2.gz UEZXUJXOSXSRTJ-CQSZACIVSA-N 1 0 320.433 3.047 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC34CCCC4)cc2)CC1 ZINC000877476415 623900702 /nfs/dbraw/zinc/90/07/02/623900702.db2.gz DCVWQKARJXZUTA-SFHVURJKSA-N 1 0 300.446 3.070 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(O)c1 ZINC000877482614 623904515 /nfs/dbraw/zinc/90/45/15/623904515.db2.gz KJAVBGOMDVFEOI-ZDUSSCGKSA-N 1 0 323.400 3.040 20 10 DGCDRO Cc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c(O)c1 ZINC000877493247 623910038 /nfs/dbraw/zinc/91/00/38/623910038.db2.gz BGHSUXBPGLNEEN-QGZVFWFLSA-N 1 0 324.424 3.186 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(OC)c(O)cc2Cl)c(O)c1 ZINC000877493661 623910138 /nfs/dbraw/zinc/91/01/38/623910138.db2.gz NZVVMZUYRXTLIN-UHFFFAOYSA-N 1 0 323.776 3.058 20 10 DGCDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877501195 623914051 /nfs/dbraw/zinc/91/40/51/623914051.db2.gz MPZGSZZWERLCGF-RDJZCZTQSA-N 1 0 302.462 3.174 20 10 DGCDRO CCCC[N@H+](Cc1cnc2c(cnn2C)c1)Cc1ccccc1O ZINC000877503172 623915328 /nfs/dbraw/zinc/91/53/28/623915328.db2.gz DKWOQBUMRJNARN-UHFFFAOYSA-N 1 0 324.428 3.476 20 10 DGCDRO COCCCOc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1 ZINC000877515152 623918933 /nfs/dbraw/zinc/91/89/33/623918933.db2.gz VZDCMLNMIMDZFC-UHFFFAOYSA-N 1 0 315.413 3.406 20 10 DGCDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000877526841 623924488 /nfs/dbraw/zinc/92/44/88/623924488.db2.gz VOTKJXZTBOREJL-XUSGNXJCSA-N 1 0 315.350 3.213 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)cc1C ZINC000877527632 623924972 /nfs/dbraw/zinc/92/49/72/623924972.db2.gz UFARJZXNJIIDPW-CQSZACIVSA-N 1 0 305.340 3.187 20 10 DGCDRO CC1(C)C([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000877528667 623925390 /nfs/dbraw/zinc/92/53/90/623925390.db2.gz HMHWECVZJWGLGP-UHFFFAOYSA-N 1 0 302.462 3.172 20 10 DGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1c(C)cccc1O ZINC000877529331 623926243 /nfs/dbraw/zinc/92/62/43/623926243.db2.gz ZRSDFKMFWXJSIL-UHFFFAOYSA-N 1 0 301.434 3.372 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c(O)c1 ZINC000877533765 623929006 /nfs/dbraw/zinc/92/90/06/623929006.db2.gz RXHSUZJJVUZSAL-QGZVFWFLSA-N 1 0 302.393 3.232 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c(O)c1 ZINC000877557104 623940647 /nfs/dbraw/zinc/94/06/47/623940647.db2.gz NJCJSVXKHPKHPY-AWEZNQCLSA-N 1 0 322.449 3.484 20 10 DGCDRO Cc1cccc(O)c1CN1CCOC[C@@H]1c1ccc(F)cc1 ZINC000877571437 623947187 /nfs/dbraw/zinc/94/71/87/623947187.db2.gz ZCCIQHUTBOJQEQ-QGZVFWFLSA-N 1 0 301.361 3.413 20 10 DGCDRO Cc1cccc(O)c1CNc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000877585908 623952237 /nfs/dbraw/zinc/95/22/37/623952237.db2.gz QERPHAPWMGETRD-UHFFFAOYSA-N 1 0 318.392 3.392 20 10 DGCDRO COC1(C(F)(F)F)CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877593073 623954829 /nfs/dbraw/zinc/95/48/29/623954829.db2.gz OMEJZHHWSVQTGZ-UHFFFAOYSA-N 1 0 303.324 3.244 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)OC ZINC000877598195 623957084 /nfs/dbraw/zinc/95/70/84/623957084.db2.gz KMCQUPYDTRLTEO-TXPKVOOTSA-N 1 0 320.477 3.172 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)[C@@H]3CC3(F)F)C2)cc1 ZINC000877598390 623957743 /nfs/dbraw/zinc/95/77/43/623957743.db2.gz MUHLNYHNCAWGCD-ZENOOKHLSA-N 1 0 310.388 3.155 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H]3CCCOC3)CC2)cc1 ZINC000780726143 623973322 /nfs/dbraw/zinc/97/33/22/623973322.db2.gz XDWHOAOAQYPEMZ-CVEARBPZSA-N 1 0 318.461 3.069 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c1O ZINC000877645136 623976932 /nfs/dbraw/zinc/97/69/32/623976932.db2.gz BMJYBGZFCOGVNI-SFHVURJKSA-N 1 0 312.413 3.141 20 10 DGCDRO CSC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000877663289 623983179 /nfs/dbraw/zinc/98/31/79/623983179.db2.gz NYLUCIFODRCDRA-UHFFFAOYSA-N 1 0 316.264 3.482 20 10 DGCDRO CC(=O)Nc1cccc2c1C[N@H+](Cc1ccc(C)cc1O)CC2 ZINC000877680542 623989323 /nfs/dbraw/zinc/98/93/23/623989323.db2.gz ZRLPQUJSTIZTPD-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO COCC1(C2CC2)C[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000877686133 623992882 /nfs/dbraw/zinc/99/28/82/623992882.db2.gz LTWCOCNTOHXVKD-PLNGDYQASA-N 1 0 300.446 3.124 20 10 DGCDRO CCOc1ccc(CN2CCC(CC)([NH+](C)C)CC2)c(O)c1 ZINC000877689878 623992976 /nfs/dbraw/zinc/99/29/76/623992976.db2.gz KBLRJDDPXZMFIL-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)cc1F ZINC000780892553 623994546 /nfs/dbraw/zinc/99/45/46/623994546.db2.gz LIIIWFFRTVURPZ-GOEBONIOSA-N 1 0 308.441 3.265 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1 ZINC000877698462 623995205 /nfs/dbraw/zinc/99/52/05/623995205.db2.gz VTNDNXILVUNCAM-QGZVFWFLSA-N 1 0 305.418 3.230 20 10 DGCDRO CCOC(=O)C1CCC([NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000877717351 624004431 /nfs/dbraw/zinc/00/44/31/624004431.db2.gz JBCHEEZCUWTHMR-UHFFFAOYSA-N 1 0 305.418 3.221 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(C(C)(C)O)CC2)cc1 ZINC000877751734 624018457 /nfs/dbraw/zinc/01/84/57/624018457.db2.gz HZJVVCIMFSBHAR-AATRIKPKSA-N 1 0 302.462 3.249 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c(O)c1 ZINC000877811502 624043761 /nfs/dbraw/zinc/04/37/61/624043761.db2.gz MCSJVACFWBJJIJ-INIZCTEOSA-N 1 0 305.805 3.047 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000877820069 624051861 /nfs/dbraw/zinc/05/18/61/624051861.db2.gz GDZWTSBHARCXTN-FZMZJTMJSA-N 1 0 303.324 3.242 20 10 DGCDRO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000877827989 624059280 /nfs/dbraw/zinc/05/92/80/624059280.db2.gz BXHBVPKTNLKEAK-SNVBAGLBSA-N 1 0 322.206 3.104 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000782291418 624233737 /nfs/dbraw/zinc/23/37/37/624233737.db2.gz SMIRCUJRFMDFNA-INIZCTEOSA-N 1 0 319.408 3.400 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccccc1O ZINC000878362503 624256867 /nfs/dbraw/zinc/25/68/67/624256867.db2.gz BDQDOQCABBQYKO-GOEBONIOSA-N 1 0 305.418 3.161 20 10 DGCDRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000783244265 624330059 /nfs/dbraw/zinc/33/00/59/624330059.db2.gz FOSUAYNJBVDWKD-KCXAZCMYSA-N 1 0 308.853 3.398 20 10 DGCDRO CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000783520681 624361391 /nfs/dbraw/zinc/36/13/91/624361391.db2.gz CTBNYFMUVCRUOM-CYBMUJFWSA-N 1 0 306.406 3.052 20 10 DGCDRO CCOc1ccc(C[N@H+](CCO)Cc2ccc(C)cc2)c(O)c1 ZINC000783603384 624373687 /nfs/dbraw/zinc/37/36/87/624373687.db2.gz RMJWDEHTCVVSKJ-UHFFFAOYSA-N 1 0 315.413 3.094 20 10 DGCDRO COc1cc(O)c(C[NH2+]C(C)(C)CC(F)(F)F)cc1OC ZINC000783717199 624386881 /nfs/dbraw/zinc/38/68/81/624386881.db2.gz HESJPTLECMADHU-UHFFFAOYSA-N 1 0 307.312 3.230 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000783735863 624389601 /nfs/dbraw/zinc/38/96/01/624389601.db2.gz UBXXJIGRWLIDDQ-PKOBYXMFSA-N 1 0 302.462 3.127 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnn(C)c2C)cc1F ZINC000790938916 625718950 /nfs/dbraw/zinc/71/89/50/625718950.db2.gz PAWWKANFMQZVMF-UHFFFAOYSA-N 1 0 318.440 3.346 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(Cl)ccc1O ZINC000784626328 624561910 /nfs/dbraw/zinc/56/19/10/624561910.db2.gz ZSMNSLBUBYZKCN-CQSZACIVSA-N 1 0 309.793 3.376 20 10 DGCDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879647705 624620947 /nfs/dbraw/zinc/62/09/47/624620947.db2.gz ITBYCNKAXDQJPK-QLFBSQMISA-N 1 0 304.434 3.222 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)c1ccccc1O ZINC000879647908 624621386 /nfs/dbraw/zinc/62/13/86/624621386.db2.gz QHSUAEWJWZWPLB-CQSZACIVSA-N 1 0 304.434 3.272 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCC1=CCCCC1)c1ccccc1O ZINC000879648727 624622675 /nfs/dbraw/zinc/62/26/75/624622675.db2.gz AVPRYRHQSNPAIF-CABCVRRESA-N 1 0 316.445 3.438 20 10 DGCDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649752 624622973 /nfs/dbraw/zinc/62/29/73/624622973.db2.gz UCFNYDQDEGDIJY-HUUCEWRRSA-N 1 0 312.413 3.056 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1O ZINC000879649309 624623005 /nfs/dbraw/zinc/62/30/05/624623005.db2.gz NADNOHKUZIYUHJ-UKRRQHHQSA-N 1 0 304.434 3.080 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1O ZINC000879649077 624623188 /nfs/dbraw/zinc/62/31/88/624623188.db2.gz LHVKVBWBSJJRPJ-RDTXWAMCSA-N 1 0 324.424 3.237 20 10 DGCDRO C[C@@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000879650138 624623211 /nfs/dbraw/zinc/62/32/11/624623211.db2.gz KXHQKTLMPGCZHC-QLFBSQMISA-N 1 0 312.413 3.309 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NCCC1=CCCCC1 ZINC000879651560 624624167 /nfs/dbraw/zinc/62/41/67/624624167.db2.gz AVPRYRHQSNPAIF-LSDHHAIUSA-N 1 0 316.445 3.438 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NCCC1=CCCCC1 ZINC000879651559 624624473 /nfs/dbraw/zinc/62/44/73/624624473.db2.gz AVPRYRHQSNPAIF-GJZGRUSLSA-N 1 0 316.445 3.438 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)c1ccccc1O ZINC000879650498 624624687 /nfs/dbraw/zinc/62/46/87/624624687.db2.gz DXMOHOLRPKORSM-AWEZNQCLSA-N 1 0 310.397 3.022 20 10 DGCDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC000879652338 624626470 /nfs/dbraw/zinc/62/64/70/624626470.db2.gz YCXMKQYROMGCIL-STQMWFEESA-N 1 0 316.376 3.059 20 10 DGCDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC000879652337 624626701 /nfs/dbraw/zinc/62/67/01/624626701.db2.gz YCXMKQYROMGCIL-OLZOCXBDSA-N 1 0 316.376 3.059 20 10 DGCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000786156366 624811923 /nfs/dbraw/zinc/81/19/23/624811923.db2.gz DLCVHVIOQQUWMZ-AWEZNQCLSA-N 1 0 305.805 3.047 20 10 DGCDRO CCOC(CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)OCC ZINC000786971692 624968968 /nfs/dbraw/zinc/96/89/68/624968968.db2.gz XRUYYUXVAWTDDA-WCQYABFASA-N 1 0 311.397 3.458 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1O ZINC000787288726 624997338 /nfs/dbraw/zinc/99/73/38/624997338.db2.gz BKIMKDJDMBQHLI-OAHLLOKOSA-N 1 0 316.376 3.278 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c1 ZINC000788257664 625105229 /nfs/dbraw/zinc/10/52/29/625105229.db2.gz CHMYTBAECYOXCC-BBRMVZONSA-N 1 0 317.433 3.225 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)c1ccccc1 ZINC000788541971 625212263 /nfs/dbraw/zinc/21/22/63/625212263.db2.gz ZZBXFQWLJRCFJU-WOJBJXKFSA-N 1 0 311.425 3.469 20 10 DGCDRO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1c(O)cccc1Cl)CC2 ZINC000790996759 625734576 /nfs/dbraw/zinc/73/45/76/625734576.db2.gz ZPEBGGNTUCMIMX-CYBMUJFWSA-N 1 0 319.836 3.470 20 10 DGCDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883042342 625908221 /nfs/dbraw/zinc/90/82/21/625908221.db2.gz TZBNKZJFCWRRJU-HNNXBMFYSA-N 1 0 305.324 3.456 20 10 DGCDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796342262 626040167 /nfs/dbraw/zinc/04/01/67/626040167.db2.gz WLBRBCXGJCULBB-MRXNPFEDSA-N 1 0 324.468 3.498 20 10 DGCDRO CCOc1ccc(C[NH2+]CCCc2cccc(C)n2)c(O)c1 ZINC000796448141 626050931 /nfs/dbraw/zinc/05/09/31/626050931.db2.gz KIFLRDNTZNNXBS-UHFFFAOYSA-N 1 0 300.402 3.217 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2(CCO)CCCC2)cc1F ZINC000796453457 626052036 /nfs/dbraw/zinc/05/20/36/626052036.db2.gz HANFXSYUYDANNW-UHFFFAOYSA-N 1 0 308.441 3.457 20 10 DGCDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000796526965 626058742 /nfs/dbraw/zinc/05/87/42/626058742.db2.gz UKYDGPCYHUJSCB-DZGCQCFKSA-N 1 0 303.406 3.473 20 10 DGCDRO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC000796523285 626058857 /nfs/dbraw/zinc/05/88/57/626058857.db2.gz XVWNGXQSMAHNLK-SFHVURJKSA-N 1 0 320.477 3.196 20 10 DGCDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000796526966 626058895 /nfs/dbraw/zinc/05/88/95/626058895.db2.gz UKYDGPCYHUJSCB-HIFRSBDPSA-N 1 0 303.406 3.473 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1 ZINC000797134483 626117276 /nfs/dbraw/zinc/11/72/76/626117276.db2.gz SQCXCIOQAGSUQW-FPTDNZKUSA-N 1 0 317.454 3.430 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCc1ccc(SC)cc1 ZINC000797879550 626176340 /nfs/dbraw/zinc/17/63/40/626176340.db2.gz LPYRAMFNSPKLQA-UHFFFAOYSA-N 1 0 303.427 3.455 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCN2C2CCCCC2)c1 ZINC000798088124 626193270 /nfs/dbraw/zinc/19/32/70/626193270.db2.gz HXHKDMZQJLTOJH-QGZVFWFLSA-N 1 0 318.461 3.288 20 10 DGCDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000798503543 626221976 /nfs/dbraw/zinc/22/19/76/626221976.db2.gz MINONYPEJQAYMC-ZBFHGGJFSA-N 1 0 306.425 3.188 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](CO)CC2CCCC2)c1O ZINC000798504269 626222131 /nfs/dbraw/zinc/22/21/31/626222131.db2.gz ZHPGLPPWGTVKPN-HNNXBMFYSA-N 1 0 307.434 3.069 20 10 DGCDRO c1cnc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000798926077 626259849 /nfs/dbraw/zinc/25/98/49/626259849.db2.gz HTANADOMWCEZPE-IBGZPJMESA-N 1 0 323.440 3.085 20 10 DGCDRO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000799149777 626275200 /nfs/dbraw/zinc/27/52/00/626275200.db2.gz SEKSDMYIXIXKKN-SFHVURJKSA-N 1 0 322.412 3.401 20 10 DGCDRO CC(C)c1ncc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)cn1 ZINC000799580584 626311129 /nfs/dbraw/zinc/31/11/29/626311129.db2.gz YZVMHQRJYLKNQE-UHFFFAOYSA-N 1 0 311.429 3.426 20 10 DGCDRO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(F)ccc1O ZINC000799728570 626324852 /nfs/dbraw/zinc/32/48/52/626324852.db2.gz CKWOEPPKJUAMGC-CZUORRHYSA-N 1 0 303.377 3.176 20 10 DGCDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(CCO4)CC3)c2c1 ZINC000799954837 626338036 /nfs/dbraw/zinc/33/80/36/626338036.db2.gz DEEGPWFXCDDYLY-UHFFFAOYSA-N 1 0 313.397 3.309 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cc(C)on3)CC2)cc1 ZINC000800503057 626365143 /nfs/dbraw/zinc/36/51/43/626365143.db2.gz MFXWHEULOJKYED-AWEZNQCLSA-N 1 0 315.417 3.311 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC2CCC(F)(F)CC2)cc1OC ZINC000800536271 626366850 /nfs/dbraw/zinc/36/68/50/626366850.db2.gz QDTYKWQTXGLEGS-UHFFFAOYSA-N 1 0 315.360 3.325 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@](F)(c3ccccc3)C1)OCO2 ZINC000800858536 626379589 /nfs/dbraw/zinc/37/95/89/626379589.db2.gz AEUZFZLOFRKUBJ-GOSISDBHSA-N 1 0 315.344 3.192 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccc(N2CCOCC2)cc1 ZINC000800968134 626387353 /nfs/dbraw/zinc/38/73/53/626387353.db2.gz GIEFTOGEIWLNRF-IAAVTCLWSA-N 1 0 300.446 3.362 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000808719336 626402480 /nfs/dbraw/zinc/40/24/80/626402480.db2.gz VYRSZQBDOMUZQE-YBTHPKLGSA-N 1 0 315.866 3.306 20 10 DGCDRO CCCCNC(=O)[C@@H](C)[N@H+](CCCC)Cc1ccccc1O ZINC000801598515 626411552 /nfs/dbraw/zinc/41/15/52/626411552.db2.gz BGHBDEWWZKBWGI-OAHLLOKOSA-N 1 0 306.450 3.299 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H](OC(F)F)C2)c1O ZINC000801989699 626428755 /nfs/dbraw/zinc/42/87/55/626428755.db2.gz ZYRRHEFNKNLLMV-NSHDSACASA-N 1 0 319.735 3.062 20 10 DGCDRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2O)C1 ZINC000802654632 626565487 /nfs/dbraw/zinc/56/54/87/626565487.db2.gz LINYREBCODODSX-SFHVURJKSA-N 1 0 320.433 3.129 20 10 DGCDRO C=C/C=C/CC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000883261316 626627287 /nfs/dbraw/zinc/62/72/87/626627287.db2.gz YGGJXTPXRCAYIM-SNAWJCMRSA-N 1 0 312.207 3.385 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)cc1 ZINC000883268902 626630338 /nfs/dbraw/zinc/63/03/38/626630338.db2.gz VTLSEJBQQAOBHY-SFHVURJKSA-N 1 0 316.445 3.067 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)c1O ZINC000883277396 626634329 /nfs/dbraw/zinc/63/43/29/626634329.db2.gz ZCELEYLOQUSEHV-TZMCWYRMSA-N 1 0 323.820 3.449 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000883288802 626637443 /nfs/dbraw/zinc/63/74/43/626637443.db2.gz RSYKCLUKUXURNA-KRWDZBQOSA-N 1 0 309.457 3.289 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883318746 626645512 /nfs/dbraw/zinc/64/55/12/626645512.db2.gz ATNZFDIGELZBQT-YTQUADARSA-N 1 0 300.446 3.192 20 10 DGCDRO CC[C@@H]1CO[C@H](C)CN1Cc1cc(Br)ccc1O ZINC000131502739 626646101 /nfs/dbraw/zinc/64/61/01/626646101.db2.gz XANRBDOJSYMPJW-ZWNOBZJWSA-N 1 0 314.223 3.154 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCC3(CCC3)O2)cc1 ZINC000883363662 626662317 /nfs/dbraw/zinc/66/23/17/626662317.db2.gz KANDBBKDQHUCEX-YWPBOTNQSA-N 1 0 300.446 3.457 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC3(F)F)CC2)cc1 ZINC000806180208 626704840 /nfs/dbraw/zinc/70/48/40/626704840.db2.gz MJRJMHPUQNZVOM-INIZCTEOSA-N 1 0 310.388 3.441 20 10 DGCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCCCO1 ZINC000132605277 626729116 /nfs/dbraw/zinc/72/91/16/626729116.db2.gz IVLUUTUILUDKHG-CYBMUJFWSA-N 1 0 314.223 3.156 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000132851186 626745921 /nfs/dbraw/zinc/74/59/21/626745921.db2.gz PQBXBQVXTIBHBI-AWEZNQCLSA-N 1 0 321.465 3.318 20 10 DGCDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000840094532 626756641 /nfs/dbraw/zinc/75/66/41/626756641.db2.gz VAYIAHSIDLQLRG-OAHLLOKOSA-N 1 0 314.429 3.080 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@]3(CCCO3)[C@H]1C1CC1)CCCC2 ZINC000840100476 626760139 /nfs/dbraw/zinc/76/01/39/626760139.db2.gz YSUJLUOIPGPDFD-WOJBJXKFSA-N 1 0 313.441 3.414 20 10 DGCDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(O)cc1C ZINC000840113465 626767334 /nfs/dbraw/zinc/76/73/34/626767334.db2.gz BKCWSNAANRMTDV-BRWVUGGUSA-N 1 0 319.445 3.225 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)CCC2 ZINC000840118732 626770617 /nfs/dbraw/zinc/77/06/17/626770617.db2.gz ZSHYCFPTTYLNJP-QRVBRYPASA-N 1 0 315.457 3.396 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)CC1(C)C ZINC000840123056 626776239 /nfs/dbraw/zinc/77/62/39/626776239.db2.gz GKSZTGLFMPOUCF-KRWDZBQOSA-N 1 0 300.402 3.187 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000808430625 626823765 /nfs/dbraw/zinc/82/37/65/626823765.db2.gz IDPQSJGWJVDKQP-OAHLLOKOSA-N 1 0 305.805 3.220 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CCOC3)C1)CCCC2 ZINC000840141206 626837964 /nfs/dbraw/zinc/83/79/64/626837964.db2.gz BVKYORXITNFWPZ-IBGZPJMESA-N 1 0 301.430 3.274 20 10 DGCDRO COCCOCCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808673634 626847920 /nfs/dbraw/zinc/84/79/20/626847920.db2.gz RGUBHPBDMRPTCY-GFCCVEGCSA-N 1 0 301.814 3.058 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCCCC2=O)c1O ZINC000808692997 626850073 /nfs/dbraw/zinc/85/00/73/626850073.db2.gz BWXJBPFOGYMUKJ-ZDUSSCGKSA-N 1 0 324.852 3.407 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1O ZINC000808695528 626850323 /nfs/dbraw/zinc/85/03/23/626850323.db2.gz OANOFMCZKVWLBA-CHWSQXEVSA-N 1 0 313.825 3.058 20 10 DGCDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808706191 626851891 /nfs/dbraw/zinc/85/18/91/626851891.db2.gz FBTFCXRAGGLLBK-NEPJUHHUSA-N 1 0 301.814 3.056 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)[C@@H]1CCCO1 ZINC000808715495 626853357 /nfs/dbraw/zinc/85/33/57/626853357.db2.gz GWRHXEQGHZJMGA-UGFHNGPFSA-N 1 0 313.825 3.199 20 10 DGCDRO C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1O ZINC000808728063 626854205 /nfs/dbraw/zinc/85/42/05/626854205.db2.gz MMBXTNQVGZSORP-QMTHXVAHSA-N 1 0 305.324 3.325 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c(O)c1 ZINC000808729425 626854987 /nfs/dbraw/zinc/85/49/87/626854987.db2.gz JOCFFKFSUHESMU-SWLSCSKDSA-N 1 0 301.361 3.494 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000808748145 626858291 /nfs/dbraw/zinc/85/82/91/626858291.db2.gz ICTJLFAERTYRTK-OAHLLOKOSA-N 1 0 321.428 3.184 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(OCCOC(C)C)CC2)c1 ZINC000840146461 626867873 /nfs/dbraw/zinc/86/78/73/626867873.db2.gz PTTCOGNCSAWCAF-UHFFFAOYSA-N 1 0 321.461 3.415 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C(=O)OC(C)C)CC2)c1 ZINC000884476751 626887314 /nfs/dbraw/zinc/88/73/14/626887314.db2.gz ZPHYNKHOEVGPKH-UHFFFAOYSA-N 1 0 305.418 3.173 20 10 DGCDRO O[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809538882 626917810 /nfs/dbraw/zinc/91/78/10/626917810.db2.gz UWPGBYFXAIZRMY-HXUWFJFHSA-N 1 0 322.452 3.206 20 10 DGCDRO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F ZINC000809697886 626937746 /nfs/dbraw/zinc/93/77/46/626937746.db2.gz QYTDQXLUGSSBAT-ZYHUDNBSSA-N 1 0 323.742 3.038 20 10 DGCDRO COC(=O)Nc1cccc(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000809705840 626939171 /nfs/dbraw/zinc/93/91/71/626939171.db2.gz BANHJTHCTDPCCT-UHFFFAOYSA-N 1 0 300.358 3.169 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)o1 ZINC000809742945 626944979 /nfs/dbraw/zinc/94/49/79/626944979.db2.gz NZSRKOHSQDIUOJ-UHFFFAOYSA-N 1 0 309.749 3.023 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000809771731 626950299 /nfs/dbraw/zinc/95/02/99/626950299.db2.gz NTVNBNIVGFKEAV-ZFWWWQNUSA-N 1 0 320.433 3.188 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccccc2N(C)C)c1 ZINC000809787376 626953285 /nfs/dbraw/zinc/95/32/85/626953285.db2.gz APQFNMNBJCQPIW-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1 ZINC000810051606 626972862 /nfs/dbraw/zinc/97/28/62/626972862.db2.gz MCHTZLGWWJPNJA-HXUWFJFHSA-N 1 0 321.468 3.390 20 10 DGCDRO CC[C@@H]([NH2+]CC[S@](=O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810218181 626988670 /nfs/dbraw/zinc/98/86/70/626988670.db2.gz PEWLDCLXCJBGIF-XUSGNXJCSA-N 1 0 323.380 3.220 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)CN(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810239843 626991280 /nfs/dbraw/zinc/99/12/80/626991280.db2.gz IDJNZZYFRFYJRO-GWCFXTLKSA-N 1 0 304.356 3.402 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ncccc2N(C)C)cc1 ZINC000810246594 626992558 /nfs/dbraw/zinc/99/25/58/626992558.db2.gz FBRZYFINVALROQ-OAHLLOKOSA-N 1 0 312.461 3.455 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cc2c(cc1O)CCCC2 ZINC000810259546 626993956 /nfs/dbraw/zinc/99/39/56/626993956.db2.gz LQMZWJJQCOVZFU-FZKQIMNGSA-N 1 0 303.446 3.473 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)c(F)c1 ZINC000136155582 627046389 /nfs/dbraw/zinc/04/63/89/627046389.db2.gz XEQDSCBHGZGSJS-MRXNPFEDSA-N 1 0 321.779 3.237 20 10 DGCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000136489559 627092957 /nfs/dbraw/zinc/09/29/57/627092957.db2.gz FCCCWSUNFXHDML-SFHVURJKSA-N 1 0 302.393 3.023 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H](OC)CC3)C2)cc1 ZINC000886158010 627115135 /nfs/dbraw/zinc/11/51/35/627115135.db2.gz PMRKMWHYEVBRSH-XYJFISCASA-N 1 0 318.461 3.211 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc1C ZINC000886338256 627139563 /nfs/dbraw/zinc/13/95/63/627139563.db2.gz IXRFSYWWYUQZMS-JHDROBOHSA-N 1 0 319.445 3.071 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCc4cccnc43)C2)cc1 ZINC000886628082 627176417 /nfs/dbraw/zinc/17/64/17/627176417.db2.gz FIBNZTCHZULXNW-HNAYVOBHSA-N 1 0 323.440 3.194 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1c([O-])cccc1F ZINC000886639840 627178529 /nfs/dbraw/zinc/17/85/29/627178529.db2.gz MRBKWGMSHOAFDY-HIFRSBDPSA-N 1 0 306.425 3.304 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1F)c1ccccc1O ZINC000886675224 627187055 /nfs/dbraw/zinc/18/70/55/627187055.db2.gz YQQSOXBYNWJBCO-RHSMWYFYSA-N 1 0 303.377 3.176 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c(O)c1 ZINC000886766787 627202041 /nfs/dbraw/zinc/20/20/41/627202041.db2.gz RLZFJKKTACCNTR-FPXQBCRKSA-N 1 0 319.445 3.386 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1O ZINC000886830806 627209673 /nfs/dbraw/zinc/20/96/73/627209673.db2.gz XOJKWCDKRHFEBB-LRDDRELGSA-N 1 0 323.820 3.249 20 10 DGCDRO COc1ccc(O)c(CN2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000811508491 627283485 /nfs/dbraw/zinc/28/34/85/627283485.db2.gz SEQICDXBZGRDAN-QGZVFWFLSA-N 1 0 324.424 3.385 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC000811512128 627285232 /nfs/dbraw/zinc/28/52/32/627285232.db2.gz DQEWURZJJPLOBU-CQSZACIVSA-N 1 0 310.388 3.000 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC000811521050 627286937 /nfs/dbraw/zinc/28/69/37/627286937.db2.gz XVUCZSFUEDXTAP-AWEZNQCLSA-N 1 0 321.808 3.088 20 10 DGCDRO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)cc1C ZINC000811777273 627320887 /nfs/dbraw/zinc/32/08/87/627320887.db2.gz IGVCSWNYWUGYPI-RDJZCZTQSA-N 1 0 305.418 3.099 20 10 DGCDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)cc1C ZINC000811792389 627322468 /nfs/dbraw/zinc/32/24/68/627322468.db2.gz OHTLQGPXFNAZAP-FUHWJXTLSA-N 1 0 317.429 3.243 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1[C@H]1CCCO1)CCC2 ZINC000811791952 627322856 /nfs/dbraw/zinc/32/28/56/627322856.db2.gz KOKILQUODSREPC-MOPGFXCFSA-N 1 0 313.441 3.414 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000813792317 627512228 /nfs/dbraw/zinc/51/22/28/627512228.db2.gz WATSOKZSDASAGT-MRXNPFEDSA-N 1 0 313.420 3.260 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1(CO)CCC1 ZINC000814169600 627545693 /nfs/dbraw/zinc/54/56/93/627545693.db2.gz JWKNBEPTJGAMRY-KRWDZBQOSA-N 1 0 308.441 3.169 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1F ZINC000814178140 627547490 /nfs/dbraw/zinc/54/74/90/627547490.db2.gz DFXSKQGDHWEHEQ-LJQANCHMSA-N 1 0 319.468 3.200 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)ccc1N(C)C ZINC000815020074 627617087 /nfs/dbraw/zinc/61/70/87/627617087.db2.gz YJUSBAHWBKTKTM-KRWDZBQOSA-N 1 0 310.445 3.231 20 10 DGCDRO Cc1cc(C[N@H+](CCO)CCc2ccccc2)ccc1N(C)C ZINC000815047072 627618865 /nfs/dbraw/zinc/61/88/65/627618865.db2.gz DMIWTAVEYKBCJB-UHFFFAOYSA-N 1 0 312.457 3.098 20 10 DGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815061324 627621305 /nfs/dbraw/zinc/62/13/05/627621305.db2.gz QMDSAKXAJYSKIM-IBGZPJMESA-N 1 0 312.461 3.440 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815075463 627623157 /nfs/dbraw/zinc/62/31/57/627623157.db2.gz BNJUAYWCSXMSIQ-APWZRJJASA-N 1 0 318.461 3.273 20 10 DGCDRO CCOC(=O)CC1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCCC1 ZINC000815102497 627626847 /nfs/dbraw/zinc/62/68/47/627626847.db2.gz JVVXVCKRLXDLRB-UHFFFAOYSA-N 1 0 318.461 3.417 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c(O)c1 ZINC000815557686 627684765 /nfs/dbraw/zinc/68/47/65/627684765.db2.gz ARGWYTNIZOTOJC-CQSZACIVSA-N 1 0 316.445 3.061 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c(O)c1 ZINC000815566739 627685599 /nfs/dbraw/zinc/68/55/99/627685599.db2.gz DBMPKOBPLIOJMK-JKSUJKDBSA-N 1 0 324.424 3.465 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@]3(C)CCCO3)CC2)cc1 ZINC000815573252 627686425 /nfs/dbraw/zinc/68/64/25/627686425.db2.gz DGKNVPDKLBXRQQ-BEFAXECRSA-N 1 0 318.461 3.211 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000815596953 627689046 /nfs/dbraw/zinc/68/90/46/627689046.db2.gz JCGYPUCXAOIINA-JKSUJKDBSA-N 1 0 319.445 3.388 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815632896 627692994 /nfs/dbraw/zinc/69/29/94/627692994.db2.gz AYVKFNURSSGYLG-SCRDCRAPSA-N 1 0 322.424 3.222 20 10 DGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)C1CC1 ZINC000815651480 627694559 /nfs/dbraw/zinc/69/45/59/627694559.db2.gz UUPQBWOZSCTOCF-YMTOWFKASA-N 1 0 314.223 3.230 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2O)[C@H]1n1cccn1 ZINC000815659381 627695398 /nfs/dbraw/zinc/69/53/98/627695398.db2.gz AFYDAPWLTAHDGY-CYGHRXIMSA-N 1 0 315.417 3.048 20 10 DGCDRO CC(C)n1cc([C@H](C)[NH2+]CCCSc2nccs2)nn1 ZINC000925104367 627709007 /nfs/dbraw/zinc/70/90/07/627709007.db2.gz XSTAWTCHPTXMME-NSHDSACASA-N 1 0 311.480 3.149 20 10 DGCDRO C[C@H]([NH3+])[C@H](NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000925530554 627748983 /nfs/dbraw/zinc/74/89/83/627748983.db2.gz DTMNSVGAUJNSAK-YWZLYKJASA-N 1 0 309.457 3.247 20 10 DGCDRO C[C@@H]1C[NH2+]C[C@H]1N[C@H](CCc1ccccc1)c1ccccc1O ZINC000925781607 627794466 /nfs/dbraw/zinc/79/44/66/627794466.db2.gz BDHDXVRXQHPEMR-ATZDWAIDSA-N 1 0 310.441 3.264 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1ccc2ccccc2c1O)C1CC1 ZINC000816496886 627796867 /nfs/dbraw/zinc/79/68/67/627796867.db2.gz BPLWJSNWHYJNAE-UHFFFAOYSA-N 1 0 313.397 3.463 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816532501 627803249 /nfs/dbraw/zinc/80/32/49/627803249.db2.gz KKGAQBOQXRSAEY-IBGZPJMESA-N 1 0 323.392 3.377 20 10 DGCDRO COc1ccccc1[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816537963 627804256 /nfs/dbraw/zinc/80/42/56/627804256.db2.gz ZQNCSDMHILXAES-SFHVURJKSA-N 1 0 323.392 3.377 20 10 DGCDRO Oc1c(C[NH2+]CCCOC[C@@H]2CCOC2)ccc2ccccc21 ZINC000816553308 627806800 /nfs/dbraw/zinc/80/68/00/627806800.db2.gz PVRWFWYNACXTKF-HNNXBMFYSA-N 1 0 315.413 3.078 20 10 DGCDRO Oc1cc(F)c(Cl)cc1CNc1cnn(-c2cc[nH+]cc2)c1 ZINC000816563195 627808721 /nfs/dbraw/zinc/80/87/21/627808721.db2.gz NJFGZWWNWQHOES-UHFFFAOYSA-N 1 0 318.739 3.378 20 10 DGCDRO C[NH+](C)CC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC1 ZINC000816569538 627809860 /nfs/dbraw/zinc/80/98/60/627809860.db2.gz OQSOOWTYCBJQET-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816587768 627811378 /nfs/dbraw/zinc/81/13/78/627811378.db2.gz VXGKGHUKQBSKSJ-BFVZDQMLSA-N 1 0 301.789 3.166 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816657427 627821780 /nfs/dbraw/zinc/82/17/80/627821780.db2.gz RRXUDKDGQXXNMU-MRXNPFEDSA-N 1 0 307.821 3.437 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(Cl)c(OC)c2)c1 ZINC000816664504 627822754 /nfs/dbraw/zinc/82/27/54/627822754.db2.gz QVAQEWOKLYNAOA-UHFFFAOYSA-N 1 0 321.804 3.395 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)C2CC(OC(C)(C)C)C2)c1O ZINC000817373148 627890939 /nfs/dbraw/zinc/89/09/39/627890939.db2.gz BOIGLOABARLVSK-UHFFFAOYSA-N 1 0 307.434 3.487 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CC23CCSCC3)cc1OC ZINC000817410326 627895068 /nfs/dbraw/zinc/89/50/68/627895068.db2.gz LBNDPXBWEMQLQX-CYBMUJFWSA-N 1 0 323.458 3.032 20 10 DGCDRO CCCN(Cc1nn(C)c(C)c1Cl)c1ccc(C[NH3+])cc1 ZINC000817410170 627895382 /nfs/dbraw/zinc/89/53/82/627895382.db2.gz KXKIFEVGJCWYHP-UHFFFAOYSA-N 1 0 306.841 3.257 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H]2CC23CCSCC3)c(O)c1 ZINC000817411410 627895492 /nfs/dbraw/zinc/89/54/92/627895492.db2.gz RDYCMNWJBOMUMF-CQSZACIVSA-N 1 0 307.459 3.414 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CC23CCSCC3)c1 ZINC000817411428 627895664 /nfs/dbraw/zinc/89/56/64/627895664.db2.gz RJIUDBAVBVPNIH-CQSZACIVSA-N 1 0 307.459 3.414 20 10 DGCDRO Cc1nonc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000926597132 627920099 /nfs/dbraw/zinc/92/00/99/627920099.db2.gz USVWFJIKKTWJNR-CHWSQXEVSA-N 1 0 302.422 3.034 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000817585765 627926636 /nfs/dbraw/zinc/92/66/36/627926636.db2.gz HWKWVOLXZIYEEQ-QGPMSJSTSA-N 1 0 317.477 3.085 20 10 DGCDRO COC1([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCOCC1 ZINC000817587676 627926936 /nfs/dbraw/zinc/92/69/36/627926936.db2.gz HDCVZRPLRYVVJW-NWDGAFQWSA-N 1 0 313.825 3.280 20 10 DGCDRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2O)CCOCC1 ZINC000817588402 627927355 /nfs/dbraw/zinc/92/73/55/627927355.db2.gz ORLMWRUALIYNEV-NWDGAFQWSA-N 1 0 313.825 3.280 20 10 DGCDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938559 627966523 /nfs/dbraw/zinc/96/65/23/627966523.db2.gz MZMAICANSUOCOG-WOJBJXKFSA-N 1 0 309.457 3.338 20 10 DGCDRO COc1ccccc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817937983 627966857 /nfs/dbraw/zinc/96/68/57/627966857.db2.gz AWYGRBUSDANTDC-KBXCAEBGSA-N 1 0 313.445 3.112 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC[C@@H]2CCCF)cc1 ZINC000817939544 627967573 /nfs/dbraw/zinc/96/75/73/627967573.db2.gz CKPXRDZNOFFDJY-KBAYOESNSA-N 1 0 307.457 3.260 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H](C2CC2)C2CCCC2)cc1 ZINC000817940872 627968456 /nfs/dbraw/zinc/96/84/56/627968456.db2.gz LTNCDPAEQNGLAX-MOPGFXCFSA-N 1 0 301.478 3.311 20 10 DGCDRO C[C@@H]([NH3+])c1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000817940888 627968740 /nfs/dbraw/zinc/96/87/40/627968740.db2.gz LXXHDAQXBKPSCS-LLVKDONJSA-N 1 0 321.471 3.075 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(C)n1 ZINC000817941137 627968871 /nfs/dbraw/zinc/96/88/71/627968871.db2.gz JDWNRLQWZKQWGG-AUUYWEPGSA-N 1 0 312.461 3.115 20 10 DGCDRO C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817940150 627968962 /nfs/dbraw/zinc/96/89/62/627968962.db2.gz GCNRLAFHGZHPAA-SNVBAGLBSA-N 1 0 302.340 3.061 20 10 DGCDRO C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817940149 627969036 /nfs/dbraw/zinc/96/90/36/627969036.db2.gz GCNRLAFHGZHPAA-JTQLQIEISA-N 1 0 302.340 3.061 20 10 DGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)nc1 ZINC000817944302 627969634 /nfs/dbraw/zinc/96/96/34/627969634.db2.gz ZASUBBGCJZSUED-WBMJQRKESA-N 1 0 318.852 3.152 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945653 627970691 /nfs/dbraw/zinc/97/06/91/627970691.db2.gz IVJZLNXFFCYUBO-UWVGGRQHSA-N 1 0 303.233 3.349 20 10 DGCDRO C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817953472 627973253 /nfs/dbraw/zinc/97/32/53/627973253.db2.gz PKUGZWMJRIRMPX-YUMQZZPRSA-N 1 0 321.646 3.196 20 10 DGCDRO CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817953759 627973376 /nfs/dbraw/zinc/97/33/76/627973376.db2.gz QPHMZUOBZOHNJS-LLVKDONJSA-N 1 0 304.356 3.450 20 10 DGCDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(N)cc2)nnn1-c1ccccc1 ZINC000817955956 627974296 /nfs/dbraw/zinc/97/42/96/627974296.db2.gz MCIUZHVOFQUDHF-CQSZACIVSA-N 1 0 321.428 3.051 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC000926904087 627975130 /nfs/dbraw/zinc/97/51/30/627975130.db2.gz DODWSEYZSMIHAV-YRGRVCCFSA-N 1 0 315.335 3.469 20 10 DGCDRO CCC[NH2+]CCN[C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000817963566 627976776 /nfs/dbraw/zinc/97/67/76/627976776.db2.gz UZSYFBVBBNENAM-ZDUSSCGKSA-N 1 0 304.356 3.451 20 10 DGCDRO CCC[NH2+]CCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817963941 627976934 /nfs/dbraw/zinc/97/69/34/627976934.db2.gz YVVOMGWWDTYHCO-HNNXBMFYSA-N 1 0 307.457 3.466 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817970892 627979727 /nfs/dbraw/zinc/97/97/27/627979727.db2.gz GVZLGZJOHYTVPK-GMTAPVOTSA-N 1 0 302.340 3.202 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(F)ccc1O ZINC000817973371 627979855 /nfs/dbraw/zinc/97/98/55/627979855.db2.gz DSHGVEVXCYEIFZ-SJCJKPOMSA-N 1 0 300.377 3.069 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(F)ccc1O ZINC000817973370 627980249 /nfs/dbraw/zinc/98/02/49/627980249.db2.gz DSHGVEVXCYEIFZ-PXAZEXFGSA-N 1 0 300.377 3.069 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970787 627980370 /nfs/dbraw/zinc/98/03/70/627980370.db2.gz FGLPYRMPUWVQGA-HOTUBEGUSA-N 1 0 303.233 3.348 20 10 DGCDRO CC[NH2+][C@H](C)CN[C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000817973788 627980377 /nfs/dbraw/zinc/98/03/77/627980377.db2.gz WPFMSKLOTJDCQP-MFKMUULPSA-N 1 0 304.356 3.450 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976152 627980724 /nfs/dbraw/zinc/98/07/24/627980724.db2.gz HMJLCKSCGRJRKW-SKDRFNHKSA-N 1 0 315.244 3.492 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1[O-] ZINC000817976522 627981172 /nfs/dbraw/zinc/98/11/72/627981172.db2.gz NAQIJCQFDSMEIO-MFKMUULPSA-N 1 0 314.351 3.204 20 10 DGCDRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCCCC2)cc1 ZINC000817979818 627981778 /nfs/dbraw/zinc/98/17/78/627981778.db2.gz OVHAJPUYLDNADJ-RHSMWYFYSA-N 1 0 323.431 3.325 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(N2CCCCC2)cc1 ZINC000817977011 627981893 /nfs/dbraw/zinc/98/18/93/627981893.db2.gz ZJPFXPRVAXWCML-XIRDDKMYSA-N 1 0 305.441 3.028 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccccc1O ZINC000926925724 627982798 /nfs/dbraw/zinc/98/27/98/627982798.db2.gz KVIFPLPBEMQZKD-NEPJUHHUSA-N 1 0 302.340 3.070 20 10 DGCDRO C[C@H](N[C@H]1CCCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817983512 627983468 /nfs/dbraw/zinc/98/34/68/627983468.db2.gz FPJVKDWWVBFBLY-WMZOPIPTSA-N 1 0 301.478 3.470 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c1O ZINC000927066561 628006164 /nfs/dbraw/zinc/00/61/64/628006164.db2.gz MLDZBMNBLFCMST-JDFRZJQESA-N 1 0 305.418 3.257 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3nc(C)cs3)C2)cc1 ZINC000818221477 628006367 /nfs/dbraw/zinc/00/63/67/628006367.db2.gz NGCJOHKZSQEKAC-AWEZNQCLSA-N 1 0 317.458 3.076 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000818222878 628006595 /nfs/dbraw/zinc/00/65/95/628006595.db2.gz XNNIDEAFRIRAEM-CABCVRRESA-N 1 0 306.475 3.007 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ncc(C)s3)C2)cc1 ZINC000818222871 628006640 /nfs/dbraw/zinc/00/66/40/628006640.db2.gz XMHABWBYKCUIOU-CQSZACIVSA-N 1 0 317.458 3.076 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000818222793 628006700 /nfs/dbraw/zinc/00/67/00/628006700.db2.gz VZKRNAGTOLHHCC-YVSFHVDLSA-N 1 0 318.461 3.067 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000818230282 628007297 /nfs/dbraw/zinc/00/72/97/628007297.db2.gz PECBJRDCHZICHJ-RBUKOAKNSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000927071222 628007420 /nfs/dbraw/zinc/00/74/20/628007420.db2.gz XJPPBNIJJZDYHY-XAYKYTGQSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)Cc3ccoc3)C2)cc1 ZINC000818341912 628015962 /nfs/dbraw/zinc/01/59/62/628015962.db2.gz IVSVVJJJZQCSGI-WBVHZDCISA-N 1 0 314.429 3.335 20 10 DGCDRO COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818345243 628016620 /nfs/dbraw/zinc/01/66/20/628016620.db2.gz SKNWILWCOVQIEH-IAGOWNOFSA-N 1 0 320.477 3.172 20 10 DGCDRO C[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(Cl)cc1O ZINC000927119336 628020153 /nfs/dbraw/zinc/02/01/53/628020153.db2.gz VCHFXQMCWATDOP-SECBINFHSA-N 1 0 324.833 3.426 20 10 DGCDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941958 628063795 /nfs/dbraw/zinc/06/37/95/628063795.db2.gz UUKGXDVXKYOWNB-SFHVURJKSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1ccccc1[C@@H](O)C[NH2+]CCCSc1nccs1 ZINC000819064243 628085114 /nfs/dbraw/zinc/08/51/14/628085114.db2.gz UZQPJDXJQSCUCY-AWEZNQCLSA-N 1 0 308.472 3.257 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)cc1 ZINC000819094720 628091453 /nfs/dbraw/zinc/09/14/53/628091453.db2.gz KMRYYVMAVRGOCK-HXUWFJFHSA-N 1 0 308.425 3.194 20 10 DGCDRO CCOC(=O)CN(Cc1ccc(C)s1)Cc1ccccc1O ZINC000822511583 628459400 /nfs/dbraw/zinc/45/94/00/628459400.db2.gz JLABOMNAHFHQPM-UHFFFAOYSA-N 1 0 319.426 3.327 20 10 DGCDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000823730362 628591058 /nfs/dbraw/zinc/59/10/58/628591058.db2.gz VHYUNNCTZFGDRD-VDZJLULYSA-N 1 0 318.461 3.131 20 10 DGCDRO COCC1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000823729266 628591211 /nfs/dbraw/zinc/59/12/11/628591211.db2.gz DNHFKZPYWKFQFH-UHFFFAOYSA-N 1 0 302.462 3.364 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)C2CC(O)C2)cc1 ZINC000824166422 628633164 /nfs/dbraw/zinc/63/31/64/628633164.db2.gz FFAPKZHRFHVIEX-UHFFFAOYSA-N 1 0 316.470 3.340 20 10 DGCDRO Cc1ncc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1C ZINC000824474593 628664079 /nfs/dbraw/zinc/66/40/79/628664079.db2.gz QCLVYMWPQRKPJB-UHFFFAOYSA-N 1 0 312.461 3.351 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnc(C)n2C)cc1 ZINC000824541558 628669016 /nfs/dbraw/zinc/66/90/16/628669016.db2.gz CVHYZILYXYTITH-UHFFFAOYSA-N 1 0 300.450 3.207 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1O ZINC000824554431 628670912 /nfs/dbraw/zinc/67/09/12/628670912.db2.gz GATKPWGYVWFNME-NSHDSACASA-N 1 0 311.731 3.493 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)[C@H](O)C(F)F ZINC000824635029 628679412 /nfs/dbraw/zinc/67/94/12/628679412.db2.gz DWYNPTPOGVZDRT-ZFWWWQNUSA-N 1 0 318.383 3.166 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000824643915 628679966 /nfs/dbraw/zinc/67/99/66/628679966.db2.gz LZYMVCFFVSJKSN-ZIAGYGMSSA-N 1 0 322.449 3.400 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](NC(=O)C(C)C)C2)cc1Cl ZINC000824649676 628680028 /nfs/dbraw/zinc/68/00/28/628680028.db2.gz GRAHCHNIBZWTCH-CQSZACIVSA-N 1 0 324.852 3.091 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2(CF)CCOCC2)cc1F ZINC000824690812 628684111 /nfs/dbraw/zinc/68/41/11/628684111.db2.gz MLGGKUJBBSANPM-UHFFFAOYSA-N 1 0 312.404 3.280 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c(O)c1 ZINC000824751584 628689525 /nfs/dbraw/zinc/68/95/25/628689525.db2.gz ZWHOMVINWZJJET-CQSZACIVSA-N 1 0 305.418 3.230 20 10 DGCDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000824920210 628706356 /nfs/dbraw/zinc/70/63/56/628706356.db2.gz HYDMPWAVUUGECR-CXAGYDPISA-N 1 0 321.461 3.291 20 10 DGCDRO CC1(C)CC[N@H+](Cc2ccc3ccccc3c2O)CC[S@@]1=O ZINC000825023673 628717303 /nfs/dbraw/zinc/71/73/03/628717303.db2.gz GVLFULQSJFNMSF-QFIPXVFZSA-N 1 0 317.454 3.278 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030361 628718291 /nfs/dbraw/zinc/71/82/91/628718291.db2.gz KNSRTLMPPSUBBY-CJNGLKHVSA-N 1 0 321.392 3.039 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1Cl ZINC000825038097 628719531 /nfs/dbraw/zinc/71/95/31/628719531.db2.gz QMDHGIZJOKVYHN-MRXNPFEDSA-N 1 0 309.768 3.316 20 10 DGCDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3cc(OC)ccc3O)C2)c1 ZINC000825090782 628726106 /nfs/dbraw/zinc/72/61/06/628726106.db2.gz HSFQEVCWMZJPNL-KOMQPUFPSA-N 1 0 313.397 3.445 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000825086047 628726338 /nfs/dbraw/zinc/72/63/38/628726338.db2.gz PCNCLMLTGJNDCS-MLGOLLRUSA-N 1 0 319.426 3.472 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c1 ZINC000825104225 628728323 /nfs/dbraw/zinc/72/83/23/628728323.db2.gz RINBYMGHYWOTRW-IAGOWNOFSA-N 1 0 305.418 3.180 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)N2CCCC[C@H]2C)cc1Cl ZINC000825191107 628736193 /nfs/dbraw/zinc/73/61/93/628736193.db2.gz WAUDPNASUVRECJ-OLZOCXBDSA-N 1 0 324.852 3.233 20 10 DGCDRO CCOCc1cc(C[NH2+]CC(C)(C)C(C)(C)O)ccc1OC ZINC000825201266 628737764 /nfs/dbraw/zinc/73/77/64/628737764.db2.gz JILWQPCZONJMAH-UHFFFAOYSA-N 1 0 309.450 3.118 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCSC3)C2)cc1OC ZINC000825215318 628738256 /nfs/dbraw/zinc/73/82/56/628738256.db2.gz MFQBPSSKNUOUPN-KRWDZBQOSA-N 1 0 323.458 3.129 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1F ZINC000825261062 628743444 /nfs/dbraw/zinc/74/34/44/628743444.db2.gz XDVQRWLPLYAKKC-CRAIPNDOSA-N 1 0 306.425 3.329 20 10 DGCDRO CC(C)n1ccc(C[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000825297445 628747116 /nfs/dbraw/zinc/74/71/16/628747116.db2.gz FUKXQLLQXDXBJL-UHFFFAOYSA-N 1 0 324.222 3.222 20 10 DGCDRO COC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000825321785 628748967 /nfs/dbraw/zinc/74/89/67/628748967.db2.gz NUHWCXJLVMVHRF-LBPRGKRZSA-N 1 0 313.825 3.303 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)CCS1 ZINC000825691799 628786232 /nfs/dbraw/zinc/78/62/32/628786232.db2.gz BVXWEPFTECBERK-JTQLQIEISA-N 1 0 316.264 3.482 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1O ZINC000825916610 628810336 /nfs/dbraw/zinc/81/03/36/628810336.db2.gz QTEXYUCBYGERHW-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825939755 628812202 /nfs/dbraw/zinc/81/22/02/628812202.db2.gz GUWCXOVNZPNEBY-AWEZNQCLSA-N 1 0 324.852 3.092 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1O ZINC000826911315 628902745 /nfs/dbraw/zinc/90/27/45/628902745.db2.gz VZINFLUQIXLRMH-CKNLXJGOSA-N 1 0 315.866 3.133 20 10 DGCDRO C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000827007870 628912205 /nfs/dbraw/zinc/91/22/05/628912205.db2.gz FLGLEKNOUHAGFO-OAHLLOKOSA-N 1 0 323.440 3.237 20 10 DGCDRO CCc1cccc(C[NH2+]CC2(CC(=O)NC)CCCCC2)c1O ZINC000827591415 628974393 /nfs/dbraw/zinc/97/43/93/628974393.db2.gz PNQRVXHORNBMLE-UHFFFAOYSA-N 1 0 318.461 3.131 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1F ZINC000827596228 628975303 /nfs/dbraw/zinc/97/53/03/628975303.db2.gz WVBMVRSVMUGGJI-HZPDHXFCSA-N 1 0 306.425 3.140 20 10 DGCDRO Cc1cc(C(=O)C[N@H+]2CC[C@H](C)C2)c(C)n1-c1ccc(F)cn1 ZINC000827634930 628978533 /nfs/dbraw/zinc/97/85/33/628978533.db2.gz GPBJCDZRBZUPOG-LBPRGKRZSA-N 1 0 315.392 3.153 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC000827692386 628983522 /nfs/dbraw/zinc/98/35/22/628983522.db2.gz IIXVKAJMRAJELX-DJJJIMSYSA-N 1 0 321.461 3.149 20 10 DGCDRO COC(=O)C1(C[N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000827812939 628993908 /nfs/dbraw/zinc/99/39/08/628993908.db2.gz CVKIWMMZVWDMBQ-UHFFFAOYSA-N 1 0 303.402 3.090 20 10 DGCDRO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000828018162 629015128 /nfs/dbraw/zinc/01/51/28/629015128.db2.gz HAIDYXKEYUEYHR-UHFFFAOYSA-N 1 0 319.836 3.364 20 10 DGCDRO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000828019290 629015183 /nfs/dbraw/zinc/01/51/83/629015183.db2.gz SXRWOMGYVAPVIH-UHFFFAOYSA-N 1 0 319.836 3.364 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000828145026 629027658 /nfs/dbraw/zinc/02/76/58/629027658.db2.gz TXPBEPUHZRUQAX-OAHLLOKOSA-N 1 0 306.450 3.155 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)C2CCCC2)cc1 ZINC000832267054 629457615 /nfs/dbraw/zinc/45/76/15/629457615.db2.gz MCKGCKTYVOPZBA-KRWDZBQOSA-N 1 0 317.477 3.085 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCC(C)(C)C)cc1 ZINC000832274416 629458481 /nfs/dbraw/zinc/45/84/81/629458481.db2.gz SYCJELPFVQTVSQ-INIZCTEOSA-N 1 0 305.466 3.085 20 10 DGCDRO CCC1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCCCC1 ZINC000832283772 629458906 /nfs/dbraw/zinc/45/89/06/629458906.db2.gz BKDWMGYQFXJMKH-KRWDZBQOSA-N 1 0 317.477 3.229 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000834452387 629713225 /nfs/dbraw/zinc/71/32/25/629713225.db2.gz HSGOOQUMMWQKHS-NSHDSACASA-N 1 0 319.836 3.215 20 10 DGCDRO COCCOc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000834518624 629719829 /nfs/dbraw/zinc/71/98/29/629719829.db2.gz KRISBLMSINAPHT-KRWDZBQOSA-N 1 0 313.397 3.195 20 10 DGCDRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCCN1c1ccccc1 ZINC000834585108 629734795 /nfs/dbraw/zinc/73/47/95/629734795.db2.gz GCTHWKKNVCXXMM-DLBZAZTESA-N 1 0 322.408 3.165 20 10 DGCDRO CC(C)[C@H](Cn1cccn1)[NH2+]CCCSc1nccs1 ZINC000834594970 629737881 /nfs/dbraw/zinc/73/78/81/629737881.db2.gz UGWOJKMDTARVOB-ZDUSSCGKSA-N 1 0 310.492 3.136 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)CCCc2cccnc2)c1 ZINC000834650101 629747111 /nfs/dbraw/zinc/74/71/11/629747111.db2.gz GAEYKEFHFIQFMA-CQSZACIVSA-N 1 0 300.402 3.297 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1nnc(-c3ccccc3)o1)CC2 ZINC000834688670 629757624 /nfs/dbraw/zinc/75/76/24/629757624.db2.gz DAITWPDBROLBPH-HNNXBMFYSA-N 1 0 321.380 3.262 20 10 DGCDRO CCN(CC[NH2+][C@@H]1CCc2cccc(O)c21)CCC(F)(F)F ZINC000834783307 629779447 /nfs/dbraw/zinc/77/94/47/629779447.db2.gz FGNFFQUARCSRNA-CYBMUJFWSA-N 1 0 316.367 3.243 20 10 DGCDRO C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000834799244 629782063 /nfs/dbraw/zinc/78/20/63/629782063.db2.gz XQNAJHBXLRGSHV-ZHRRBRCNSA-N 1 0 315.438 3.048 20 10 DGCDRO C[C@@H]([NH2+]CC1=CCOCC1)c1ccc(Br)cc1O ZINC000834859401 629792397 /nfs/dbraw/zinc/79/23/97/629792397.db2.gz BEMFPVZYIHLJRJ-SNVBAGLBSA-N 1 0 312.207 3.152 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CC2(CF)CCOCC2)c2c1c(F)ccc2O ZINC000834885726 629797848 /nfs/dbraw/zinc/79/78/48/629797848.db2.gz NDRKCFFUESOEKK-WCQYABFASA-N 1 0 311.372 3.436 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCO[C@@H](c3ccncc3)C1)CC2 ZINC000834895079 629799992 /nfs/dbraw/zinc/79/99/92/629799992.db2.gz XDLXYAVFJGGSSX-LZLYRXPVSA-N 1 0 310.397 3.284 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c1 ZINC000834898141 629802145 /nfs/dbraw/zinc/80/21/45/629802145.db2.gz JKOUUZXRRGCFBT-DEYYWGMASA-N 1 0 315.417 3.005 20 10 DGCDRO Cc1cnc(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000834907698 629805776 /nfs/dbraw/zinc/80/57/76/629805776.db2.gz AGINOEBELJRFNW-AWEZNQCLSA-N 1 0 311.429 3.263 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC ZINC000834909763 629806462 /nfs/dbraw/zinc/80/64/62/629806462.db2.gz ATGNGCNLOXEEJI-QAPCUYQASA-N 1 0 317.477 3.242 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC ZINC000834909760 629806686 /nfs/dbraw/zinc/80/66/86/629806686.db2.gz ATGNGCNLOXEEJI-MAUKXSAKSA-N 1 0 317.477 3.242 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000835025565 629828241 /nfs/dbraw/zinc/82/82/41/629828241.db2.gz KTTTZRKMPDWNSQ-CYXJOQHWSA-N 1 0 313.489 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000835029687 629829870 /nfs/dbraw/zinc/82/98/70/629829870.db2.gz VWCZYYSPNWGCKM-ZFRRBFPSSA-N 1 0 300.446 3.124 20 10 DGCDRO CC[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCCC1 ZINC000835035931 629830325 /nfs/dbraw/zinc/83/03/25/629830325.db2.gz LQGOQYRKMCJNLK-LKGOPFMKSA-N 1 0 301.478 3.230 20 10 DGCDRO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000835035785 629830339 /nfs/dbraw/zinc/83/03/39/629830339.db2.gz KTTHRZRBUGRRFT-LQYUOIDQSA-N 1 0 321.428 3.159 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](CO)Cc2ccccc2)cc1 ZINC000835035164 629830569 /nfs/dbraw/zinc/83/05/69/629830569.db2.gz HSHMJSUDVBHHFT-QKWWCAPFSA-N 1 0 324.468 3.207 20 10 DGCDRO C[C@@H](COCC(F)(F)F)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036564 629830965 /nfs/dbraw/zinc/83/09/65/629830965.db2.gz LUQPVPHPXUQSFJ-ZFDPJTLLSA-N 1 0 316.367 3.323 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2nccn2C(F)F)cc1 ZINC000835037492 629831447 /nfs/dbraw/zinc/83/14/47/629831447.db2.gz QCRKNPGYIZTVRD-ARJAWSKDSA-N 1 0 306.360 3.147 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000835039774 629832208 /nfs/dbraw/zinc/83/22/08/629832208.db2.gz JIPSDFGJERAJFJ-XDXAGZTOSA-N 1 0 316.470 3.325 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1 ZINC000835040122 629832357 /nfs/dbraw/zinc/83/23/57/629832357.db2.gz ACCMQVLBQGCFKW-RMUOZIPVSA-N 1 0 322.452 3.189 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]2(C)CCCC[C@@H]2O)cc1 ZINC000835041891 629832881 /nfs/dbraw/zinc/83/28/81/629832881.db2.gz FPNRTMYOPZRERB-RJCMGOLDSA-N 1 0 302.462 3.297 20 10 DGCDRO Cc1cccc(NCC[NH2+]C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835044819 629833788 /nfs/dbraw/zinc/83/37/88/629833788.db2.gz PNOYXUAIJMSLQR-FNORWQNLSA-N 1 0 310.445 3.171 20 10 DGCDRO CC(C)C[C@H](CCO)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835043638 629833862 /nfs/dbraw/zinc/83/38/62/629833862.db2.gz TYANSMARVPZPGN-XFHJGTJQSA-N 1 0 304.478 3.400 20 10 DGCDRO COC(=O)C1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCCC1 ZINC000835048291 629835560 /nfs/dbraw/zinc/83/55/60/629835560.db2.gz PSWTYNSMCMRODJ-SREVYHEPSA-N 1 0 316.445 3.089 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1 ZINC000835051857 629837211 /nfs/dbraw/zinc/83/72/11/629837211.db2.gz AKVXMZSVGPMRDI-QWNKOJSDSA-N 1 0 302.462 3.153 20 10 DGCDRO COC(=O)CC1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CCCC1 ZINC000835055214 629838970 /nfs/dbraw/zinc/83/89/70/629838970.db2.gz XCQLHEDTNKVRFZ-SREVYHEPSA-N 1 0 316.445 3.231 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c1O ZINC000835059013 629839696 /nfs/dbraw/zinc/83/96/96/629839696.db2.gz FAKYXSRMUWQCSK-LLVKDONJSA-N 1 0 313.825 3.349 20 10 DGCDRO COc1ccc(C[C@H](C)[NH2+]CCCSc2nccs2)cn1 ZINC000840723493 630352310 /nfs/dbraw/zinc/35/23/10/630352310.db2.gz PMYOTZAIWMDMNA-LBPRGKRZSA-N 1 0 323.487 3.250 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccccc1O ZINC000840881067 630371857 /nfs/dbraw/zinc/37/18/57/630371857.db2.gz NLUJEESTJQLWQZ-YOEHRIQHSA-N 1 0 303.377 3.348 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2cccc(F)c2)c(Cl)c1 ZINC000840886463 630372473 /nfs/dbraw/zinc/37/24/73/630372473.db2.gz XBKORRDAYPGVTF-MRXNPFEDSA-N 1 0 309.768 3.316 20 10 DGCDRO CCn1cc[nH+]c1NCc1cc(C)cc(Br)c1O ZINC000840888058 630373092 /nfs/dbraw/zinc/37/30/92/630373092.db2.gz WHZGAVUYQVVMJR-UHFFFAOYSA-N 1 0 310.195 3.292 20 10 DGCDRO Oc1c(Br)cccc1CNc1[nH+]ccn1C1CC1 ZINC000840887412 630373266 /nfs/dbraw/zinc/37/32/66/630373266.db2.gz NOFOOWXERZNXMP-UHFFFAOYSA-N 1 0 308.179 3.298 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000840892593 630373946 /nfs/dbraw/zinc/37/39/46/630373946.db2.gz BKOGXSSGPWBYGV-MPGHIAIKSA-N 1 0 312.461 3.484 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000840893816 630373949 /nfs/dbraw/zinc/37/39/49/630373949.db2.gz MGZIYRRWWVCJOB-GJZGRUSLSA-N 1 0 300.450 3.076 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000840893815 630373982 /nfs/dbraw/zinc/37/39/82/630373982.db2.gz MGZIYRRWWVCJOB-CABCVRRESA-N 1 0 300.450 3.076 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)nn1 ZINC000840896748 630374380 /nfs/dbraw/zinc/37/43/80/630374380.db2.gz KOMQFABGMHMYGF-UHFFFAOYSA-N 1 0 310.445 3.311 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCOC2CCOCC2)c(Cl)c1 ZINC000840900602 630375273 /nfs/dbraw/zinc/37/52/73/630375273.db2.gz SBRBHJNQOJZQTJ-UHFFFAOYSA-N 1 0 313.825 3.029 20 10 DGCDRO Cc1occc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000840907228 630375558 /nfs/dbraw/zinc/37/55/58/630375558.db2.gz AXAZAINTIAUHEN-KRWDZBQOSA-N 1 0 301.386 3.475 20 10 DGCDRO CCc1ncc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000840909938 630376688 /nfs/dbraw/zinc/37/66/88/630376688.db2.gz IWXWYJUHKAAEGY-UHFFFAOYSA-N 1 0 310.445 3.270 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000840913543 630377359 /nfs/dbraw/zinc/37/73/59/630377359.db2.gz GWRMBFPTXMJXCG-IBGZPJMESA-N 1 0 301.478 3.121 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000840937968 630380793 /nfs/dbraw/zinc/38/07/93/630380793.db2.gz BBMLWVBVDXSLGQ-LJQANCHMSA-N 1 0 302.462 3.452 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000840943344 630381853 /nfs/dbraw/zinc/38/18/53/630381853.db2.gz NOTWLMWCMOQQEW-UHFFFAOYSA-N 1 0 321.371 3.347 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)CCCNC(=O)C2CCC2)c(Cl)c1 ZINC000840941880 630382134 /nfs/dbraw/zinc/38/21/34/630382134.db2.gz PBHOPZXITAUORV-UHFFFAOYSA-N 1 0 324.852 3.092 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000840951150 630383211 /nfs/dbraw/zinc/38/32/11/630383211.db2.gz TXLOTSJGEOLQKX-RHSMWYFYSA-N 1 0 309.837 3.241 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000840949589 630383331 /nfs/dbraw/zinc/38/33/31/630383331.db2.gz YPOKIXQIHNRRMH-RTBURBONSA-N 1 0 300.446 3.204 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000840950416 630383699 /nfs/dbraw/zinc/38/36/99/630383699.db2.gz IBGSEJSNTPSKLN-OTWHNJEPSA-N 1 0 302.462 3.186 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000840954196 630384553 /nfs/dbraw/zinc/38/45/53/630384553.db2.gz ALNJCQMVGGCJSD-AZUAARDMSA-N 1 0 314.473 3.439 20 10 DGCDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cc(OC)ccc2O)c1 ZINC000840973511 630389269 /nfs/dbraw/zinc/38/92/69/630389269.db2.gz OEBYRUADRYDKJM-KSSFIOAISA-N 1 0 313.397 3.303 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000840978734 630389989 /nfs/dbraw/zinc/38/99/89/630389989.db2.gz VLKNJOMPLZCNIP-INIZCTEOSA-N 1 0 300.377 3.208 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000840976813 630390411 /nfs/dbraw/zinc/39/04/11/630390411.db2.gz GKDSMMKZHVIADG-KRWDZBQOSA-N 1 0 313.420 3.260 20 10 DGCDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCc1ccc(N)cc1 ZINC000841035714 630399861 /nfs/dbraw/zinc/39/98/61/630399861.db2.gz HMSMYDUSTRHVMZ-UHFFFAOYSA-N 1 0 320.440 3.404 20 10 DGCDRO N[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000841038095 630399871 /nfs/dbraw/zinc/39/98/71/630399871.db2.gz UGYVVHJCNVJNAH-HXUWFJFHSA-N 1 0 309.457 3.467 20 10 DGCDRO CSc1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841041198 630400446 /nfs/dbraw/zinc/40/04/46/630400446.db2.gz BTVGJMUXMMZAST-GOSISDBHSA-N 1 0 315.486 3.264 20 10 DGCDRO C[C@H](Cc1ccsc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044737 630401037 /nfs/dbraw/zinc/40/10/37/630401037.db2.gz FKMSMFDWWMHEBS-DYVFJYSZSA-N 1 0 303.475 3.035 20 10 DGCDRO CC[NH2+]Cc1cccc(NCc2cc(OC)c(OC)cc2O)c1 ZINC000841043226 630401257 /nfs/dbraw/zinc/40/12/57/630401257.db2.gz OFNVCMRWEMUOBC-UHFFFAOYSA-N 1 0 316.401 3.131 20 10 DGCDRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044068 630401351 /nfs/dbraw/zinc/40/13/51/630401351.db2.gz USOXDEZPXIABLY-LIRRHRJNSA-N 1 0 315.436 3.112 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc(Cl)c2F)cc1 ZINC000841044899 630401378 /nfs/dbraw/zinc/40/13/78/630401378.db2.gz ZSDAYVCXPPWVTB-INIZCTEOSA-N 1 0 321.827 3.335 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C/C=C\c2ccc(F)cc2)cc1 ZINC000841046054 630401769 /nfs/dbraw/zinc/40/17/69/630401769.db2.gz VJYDAJFRUILBEW-LLHWWHOWSA-N 1 0 313.420 3.195 20 10 DGCDRO COc1cc(Cl)cc(CNc2ccc(OCC[NH3+])cc2)c1O ZINC000841055427 630402957 /nfs/dbraw/zinc/40/29/57/630402957.db2.gz VEKNZZLUOCQHAB-UHFFFAOYSA-N 1 0 322.792 3.004 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC[NH2+]C1 ZINC000841057060 630403166 /nfs/dbraw/zinc/40/31/66/630403166.db2.gz LMESZRQPRFFPKD-CQSZACIVSA-N 1 0 303.233 3.178 20 10 DGCDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841298324 630424597 /nfs/dbraw/zinc/42/45/97/630424597.db2.gz ADTBJRFFWLMIBO-SWLSCSKDSA-N 1 0 316.405 3.113 20 10 DGCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841688446 630454414 /nfs/dbraw/zinc/45/44/14/630454414.db2.gz HPDMIKCACOBFDI-UXLLHSPISA-N 1 0 319.445 3.465 20 10 DGCDRO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1O ZINC000841761805 630462924 /nfs/dbraw/zinc/46/29/24/630462924.db2.gz GWEFPGBJMPDOST-APBUJDDRSA-N 1 0 303.855 3.243 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)cc1 ZINC000841764937 630463201 /nfs/dbraw/zinc/46/32/01/630463201.db2.gz JWLVAZMFYYFSLG-ZFWWWQNUSA-N 1 0 311.420 3.133 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccccc1O ZINC000841763740 630463207 /nfs/dbraw/zinc/46/32/07/630463207.db2.gz QMQBTLRABMVKTA-HNNXBMFYSA-N 1 0 307.434 3.001 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](CO)CC2CCCCC2)c(O)c1 ZINC000841893083 630474038 /nfs/dbraw/zinc/47/40/38/630474038.db2.gz DSELCACQYFMVHE-MRXNPFEDSA-N 1 0 307.434 3.212 20 10 DGCDRO CCC[N@H+](CC[S@](=O)c1ccccc1)Cc1ccccc1O ZINC000104682351 630507541 /nfs/dbraw/zinc/50/75/41/630507541.db2.gz AYZJXVYJRWZMQB-JOCHJYFZSA-N 1 0 317.454 3.412 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CSc3ccccc3O2)c1 ZINC000842726710 630568226 /nfs/dbraw/zinc/56/82/26/630568226.db2.gz MILZRGOAHIEYBE-CQSZACIVSA-N 1 0 301.411 3.344 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](CCO)c2ccccc2F)cc1F ZINC000842762040 630572662 /nfs/dbraw/zinc/57/26/62/630572662.db2.gz AGOZFIYTFYUZRN-QGZVFWFLSA-N 1 0 320.383 3.244 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CO1 ZINC000842776151 630574986 /nfs/dbraw/zinc/57/49/86/630574986.db2.gz SESBLGMBKGKNAL-ZYHUDNBSSA-N 1 0 302.340 3.038 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NCc1cccs1 ZINC000842907925 630592720 /nfs/dbraw/zinc/59/27/20/630592720.db2.gz IJPOVEKZYUSWRF-IUODEOHRSA-N 1 0 318.442 3.199 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843044011 630607470 /nfs/dbraw/zinc/60/74/70/630607470.db2.gz FYGKEOANWVZRNV-IUWYBMQSSA-N 1 0 313.489 3.230 20 10 DGCDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000843046677 630608259 /nfs/dbraw/zinc/60/82/59/630608259.db2.gz YWAADUWUUYTZKT-VQIMIIECSA-N 1 0 301.478 3.379 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000843054099 630608734 /nfs/dbraw/zinc/60/87/34/630608734.db2.gz CYWITHVKMXZXMG-ARJAWSKDSA-N 1 0 313.489 3.230 20 10 DGCDRO Cc1cccc2ncc(CN3CCCc4cc(C[NH3+])ccc43)n21 ZINC000843057388 630609458 /nfs/dbraw/zinc/60/94/58/630609458.db2.gz CWWYJVZTNVRGNG-UHFFFAOYSA-N 1 0 306.413 3.054 20 10 DGCDRO Cc1ccc2ncc(CN3CCCc4cc(C[NH3+])ccc43)n2c1 ZINC000843057750 630609626 /nfs/dbraw/zinc/60/96/26/630609626.db2.gz HURHSCZBIODAPR-UHFFFAOYSA-N 1 0 306.413 3.054 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1c[nH]nc1-c1ccccc1 ZINC000843057920 630609725 /nfs/dbraw/zinc/60/97/25/630609725.db2.gz YNYTXTWFFPGKQG-UHFFFAOYSA-N 1 0 318.424 3.488 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(-n2cccn2)cc1 ZINC000843057922 630610042 /nfs/dbraw/zinc/61/00/42/630610042.db2.gz YSTASWXQIICRQK-UHFFFAOYSA-N 1 0 318.424 3.284 20 10 DGCDRO CC(C)c1noc([C@H](C)N2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843349812 630648949 /nfs/dbraw/zinc/64/89/49/630648949.db2.gz DMBPQKVOQMKQNN-LBPRGKRZSA-N 1 0 300.406 3.166 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1O ZINC000843415908 630654386 /nfs/dbraw/zinc/65/43/86/630654386.db2.gz FAHHJNPLMLMLKX-HOTGVXAUSA-N 1 0 305.418 3.182 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1(CO)CC=CC1 ZINC000843432888 630658209 /nfs/dbraw/zinc/65/82/09/630658209.db2.gz MAULVDDEDWBVOW-MRXNPFEDSA-N 1 0 309.837 3.489 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000843436195 630658993 /nfs/dbraw/zinc/65/89/93/630658993.db2.gz CPAYMNMBZZVMCH-DZGCQCFKSA-N 1 0 305.418 3.301 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC(C)(C)[NH3+] ZINC000843486082 630662085 /nfs/dbraw/zinc/66/20/85/630662085.db2.gz PALHNCSNKMEMQT-UHFFFAOYSA-N 1 0 305.466 3.007 20 10 DGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[NH2+]C1CC1 ZINC000843486478 630662154 /nfs/dbraw/zinc/66/21/54/630662154.db2.gz UDNJIEGBPQWQEP-HNNXBMFYSA-N 1 0 324.424 3.234 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(C)n1-c1cccc(C)c1 ZINC000843504278 630663578 /nfs/dbraw/zinc/66/35/78/630663578.db2.gz PBYRAVYPHRDAFD-KGLIPLIRSA-N 1 0 313.445 3.258 20 10 DGCDRO CC1CCN(c2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)CC1 ZINC000844183815 630711641 /nfs/dbraw/zinc/71/16/41/630711641.db2.gz NUVFROYFQBRTHB-UHFFFAOYSA-N 1 0 317.477 3.057 20 10 DGCDRO COc1c(C)cnc(CN2CCCc3cc(C[NH3+])ccc32)c1C ZINC000844219576 630712678 /nfs/dbraw/zinc/71/26/78/630712678.db2.gz LDKXKVNXYWUGMJ-UHFFFAOYSA-N 1 0 311.429 3.119 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC(C)C)ccn2)c1 ZINC000844311977 630718037 /nfs/dbraw/zinc/71/80/37/630718037.db2.gz HNJUNSICEPQQIH-CYBMUJFWSA-N 1 0 316.401 3.434 20 10 DGCDRO CC(C)O[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000844716174 630804565 /nfs/dbraw/zinc/80/45/65/630804565.db2.gz IJJMDGKNECWOBD-OAHLLOKOSA-N 1 0 300.402 3.330 20 10 DGCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000845924723 631202333 /nfs/dbraw/zinc/20/23/33/631202333.db2.gz CRINQCACLZLKDV-KRWDZBQOSA-N 1 0 320.477 3.064 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)cc(OC)nc2C)c1 ZINC000845972486 631204356 /nfs/dbraw/zinc/20/43/56/631204356.db2.gz QXUCAEUKXGBBGC-GFCCVEGCSA-N 1 0 316.401 3.272 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000846007375 631205381 /nfs/dbraw/zinc/20/53/81/631205381.db2.gz GUBUKRTVWLCPGP-ONEGZZNKSA-N 1 0 300.446 3.003 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000846013047 631206076 /nfs/dbraw/zinc/20/60/76/631206076.db2.gz JIGIYTPTGDVCGV-VNBZBWLYSA-N 1 0 319.376 3.313 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@](C)(O)c1ccccc1 ZINC000846035747 631207236 /nfs/dbraw/zinc/20/72/36/631207236.db2.gz DIJWPHRGMLTXKD-LIRRHRJNSA-N 1 0 316.420 3.278 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)c1 ZINC000846043287 631207855 /nfs/dbraw/zinc/20/78/55/631207855.db2.gz WRTWBSPVSGCKPS-KPZWWZAWSA-N 1 0 305.418 3.257 20 10 DGCDRO CC[C@@H]1C[C@H](C[N@H+](C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000846051292 631208434 /nfs/dbraw/zinc/20/84/34/631208434.db2.gz FGAGJWARPXPFMS-SJLPKXTDSA-N 1 0 320.477 3.268 20 10 DGCDRO C[C@H](CO)C1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000846057223 631208573 /nfs/dbraw/zinc/20/85/73/631208573.db2.gz FMBUFMMBPYRCDD-DWTRPJMMSA-N 1 0 302.462 3.106 20 10 DGCDRO COc1ccccc1CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846138304 631211324 /nfs/dbraw/zinc/21/13/24/631211324.db2.gz VNNFLNFCOKWPPM-ZDUSSCGKSA-N 1 0 301.386 3.303 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)N2CCCCC2)c1O ZINC000846136047 631211450 /nfs/dbraw/zinc/21/14/50/631211450.db2.gz GRZVIOGFOKDTOI-CQSZACIVSA-N 1 0 306.450 3.316 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1O ZINC000846135730 631211461 /nfs/dbraw/zinc/21/14/61/631211461.db2.gz FUEFSGAORLYPPR-OCCSQVGLSA-N 1 0 320.458 3.416 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2COc3ccccc3C2)c1O ZINC000846143489 631211844 /nfs/dbraw/zinc/21/18/44/631211844.db2.gz JBAVFOADPWQJKB-UONOGXRCSA-N 1 0 313.397 3.303 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1O ZINC000846146945 631212044 /nfs/dbraw/zinc/21/20/44/631212044.db2.gz SYKQNQUHPWQDLP-GOEBONIOSA-N 1 0 315.413 3.218 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc3c2OCCO3)c1O ZINC000846151717 631212225 /nfs/dbraw/zinc/21/22/25/631212225.db2.gz FOIPNGPOULOYPE-GFCCVEGCSA-N 1 0 315.369 3.023 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000846155106 631212602 /nfs/dbraw/zinc/21/26/02/631212602.db2.gz DQOZCCGRYYLTMZ-OGHNNQOOSA-N 1 0 323.458 3.106 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2nn(C)c3ccccc23)c1O ZINC000846162436 631212980 /nfs/dbraw/zinc/21/29/80/631212980.db2.gz HHWFOBGLFPOWFW-LBPRGKRZSA-N 1 0 311.385 3.138 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)c1O ZINC000846165032 631213019 /nfs/dbraw/zinc/21/30/19/631213019.db2.gz KMHVMJGNBXMZJJ-ACJLOTCBSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c1O ZINC000846164152 631213109 /nfs/dbraw/zinc/21/31/09/631213109.db2.gz NLMWNVOQCSDBQQ-KUHUBIRLSA-N 1 0 315.413 3.349 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c1O ZINC000846166788 631213161 /nfs/dbraw/zinc/21/31/61/631213161.db2.gz PDNKSBHEHVGNBB-DZGCQCFKSA-N 1 0 304.434 3.068 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)c1O ZINC000846166845 631213162 /nfs/dbraw/zinc/21/31/62/631213162.db2.gz DMPVKISMFKRAMG-HIFRSBDPSA-N 1 0 307.434 3.240 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c1O ZINC000846167921 631213233 /nfs/dbraw/zinc/21/32/33/631213233.db2.gz ODRVQJLCEMUBKZ-SNVBAGLBSA-N 1 0 324.327 3.248 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1O ZINC000846169556 631213271 /nfs/dbraw/zinc/21/32/71/631213271.db2.gz FEBIWLGPNUCOOB-OGHNNQOOSA-N 1 0 301.386 3.174 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1O ZINC000846169555 631213279 /nfs/dbraw/zinc/21/32/79/631213279.db2.gz FEBIWLGPNUCOOB-GDZNZVCISA-N 1 0 301.386 3.174 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1O ZINC000846168331 631213290 /nfs/dbraw/zinc/21/32/90/631213290.db2.gz SEPISCSRWPZLDZ-YOEHRIQHSA-N 1 0 315.413 3.402 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3ccccc3OC2)c1O ZINC000846169042 631213319 /nfs/dbraw/zinc/21/33/19/631213319.db2.gz XOZIAYPSWAIFCR-DZGCQCFKSA-N 1 0 313.397 3.445 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1O ZINC000846205958 631214757 /nfs/dbraw/zinc/21/47/57/631214757.db2.gz LUSXQWLAYNPKGT-KGLIPLIRSA-N 1 0 324.424 3.207 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCCCO1 ZINC000847074710 631397594 /nfs/dbraw/zinc/39/75/94/631397594.db2.gz BTWLJOFSPHMYDR-HOTGVXAUSA-N 1 0 309.381 3.171 20 10 DGCDRO C[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)[C@@H]1CCOC1 ZINC000106858096 631476805 /nfs/dbraw/zinc/47/68/05/631476805.db2.gz FSECKKCKMCOGPK-GFCCVEGCSA-N 1 0 301.386 3.238 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OC3CCC3)C1)CCC2 ZINC000848497766 631670213 /nfs/dbraw/zinc/67/02/13/631670213.db2.gz QEBURJRKEUJZRC-GOSISDBHSA-N 1 0 301.430 3.414 20 10 DGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CS1 ZINC000848520720 631676024 /nfs/dbraw/zinc/67/60/24/631676024.db2.gz JZFNYUCOIDWCKW-DZGCQCFKSA-N 1 0 324.465 3.036 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCCn2ccnc21 ZINC000848554340 631690548 /nfs/dbraw/zinc/69/05/48/631690548.db2.gz YROQALIMEGJDPL-QAPCUYQASA-N 1 0 312.461 3.313 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000848556947 631691605 /nfs/dbraw/zinc/69/16/05/631691605.db2.gz DNLMPUVQQSEJLU-WCXIOVBPSA-N 1 0 320.477 3.157 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1O ZINC000848558472 631692310 /nfs/dbraw/zinc/69/23/10/631692310.db2.gz QKHMLLKXOOVTTG-LISAXSMJSA-N 1 0 320.477 3.239 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cc1F ZINC000848560623 631692664 /nfs/dbraw/zinc/69/26/64/631692664.db2.gz OXMRIRCCUOYKJK-ROUUACIJSA-N 1 0 306.425 3.329 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2ncc(C)cc2C)c1O ZINC000848559511 631692804 /nfs/dbraw/zinc/69/28/04/631692804.db2.gz DQLLDMMVRQUDGX-AWEZNQCLSA-N 1 0 300.402 3.306 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)c1 ZINC000848559238 631693078 /nfs/dbraw/zinc/69/30/78/631693078.db2.gz QWXJEHKKRHCRKI-SUMWQHHRSA-N 1 0 310.397 3.305 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000848563496 631693659 /nfs/dbraw/zinc/69/36/59/631693659.db2.gz SZJMYBKLIRMTAB-NWDGAFQWSA-N 1 0 309.406 3.029 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000848563495 631693897 /nfs/dbraw/zinc/69/38/97/631693897.db2.gz SZJMYBKLIRMTAB-NEPJUHHUSA-N 1 0 309.406 3.029 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)cc1F ZINC000848576204 631701374 /nfs/dbraw/zinc/70/13/74/631701374.db2.gz JJQWPNBLGSFWBA-OAHLLOKOSA-N 1 0 306.425 3.473 20 10 DGCDRO COC(=O)Cc1ccccc1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000848578309 631702485 /nfs/dbraw/zinc/70/24/85/631702485.db2.gz ARYVNYNFHXZHPL-UHFFFAOYSA-N 1 0 313.397 3.014 20 10 DGCDRO CCc1cccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1O ZINC000848887274 631771489 /nfs/dbraw/zinc/77/14/89/631771489.db2.gz RVCJBUPHTAYYPT-LJQANCHMSA-N 1 0 311.425 3.436 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000848887552 631771726 /nfs/dbraw/zinc/77/17/26/631771726.db2.gz YWQOQLPREDBNJW-SFHVURJKSA-N 1 0 313.397 3.234 20 10 DGCDRO CCc1cccc(C[NH+]2CCN(c3ncc(C)s3)CC2)c1O ZINC000848887415 631772069 /nfs/dbraw/zinc/77/20/69/631772069.db2.gz VWTPNOVOGSFRCP-UHFFFAOYSA-N 1 0 317.458 3.042 20 10 DGCDRO CCc1cccc(C[NH+]2CCN(c3cccs3)CC2)c1O ZINC000848888659 631772803 /nfs/dbraw/zinc/77/28/03/631772803.db2.gz YIZSAVLBGLCUFA-UHFFFAOYSA-N 1 0 302.443 3.338 20 10 DGCDRO CCc1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1O ZINC000848894346 631775462 /nfs/dbraw/zinc/77/54/62/631775462.db2.gz CXZQVTXCSKRQPG-UHFFFAOYSA-N 1 0 316.357 3.031 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000848897366 631777504 /nfs/dbraw/zinc/77/75/04/631777504.db2.gz PQZWYRIHVBKOLY-KRWDZBQOSA-N 1 0 324.424 3.129 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1O ZINC000848898481 631778859 /nfs/dbraw/zinc/77/88/59/631778859.db2.gz VJQCVJLYGAXSMZ-UHFFFAOYSA-N 1 0 300.358 3.195 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1O ZINC000848899595 631779001 /nfs/dbraw/zinc/77/90/01/631779001.db2.gz QJJSFAGBKLRTFK-UHFFFAOYSA-N 1 0 313.323 3.003 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)c1O ZINC000848905291 631781020 /nfs/dbraw/zinc/78/10/20/631781020.db2.gz GGHJGJPEXCQRGX-NWDGAFQWSA-N 1 0 302.422 3.437 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000848907006 631781708 /nfs/dbraw/zinc/78/17/08/631781708.db2.gz GLLITNPLFQMZNB-HIFRSBDPSA-N 1 0 317.351 3.090 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1O ZINC000848907018 631782057 /nfs/dbraw/zinc/78/20/57/631782057.db2.gz ZTGULPLAAPRBCW-MRXNPFEDSA-N 1 0 301.434 3.218 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1O ZINC000848910097 631782894 /nfs/dbraw/zinc/78/28/94/631782894.db2.gz FKYMPMWOOZKUHD-JOCHJYFZSA-N 1 0 317.454 3.123 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000848912245 631783699 /nfs/dbraw/zinc/78/36/99/631783699.db2.gz PFSHASHFMVDGFQ-SFHVURJKSA-N 1 0 316.420 3.486 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1O ZINC000848912411 631784115 /nfs/dbraw/zinc/78/41/15/631784115.db2.gz QUPMXRNOLZYQTC-UHFFFAOYSA-N 1 0 311.381 3.328 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000848913252 631784234 /nfs/dbraw/zinc/78/42/34/631784234.db2.gz SKYMMUGNWYXYJY-WMZOPIPTSA-N 1 0 301.430 3.488 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000848916695 631786390 /nfs/dbraw/zinc/78/63/90/631786390.db2.gz WMAVIJQXLWHTBM-MSOLQXFVSA-N 1 0 312.413 3.360 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1O ZINC000848925604 631790081 /nfs/dbraw/zinc/79/00/81/631790081.db2.gz AHFFJHHECFGJRC-HOTGVXAUSA-N 1 0 303.789 3.102 20 10 DGCDRO Cc1ccc(CNC(=[NH2+])NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000848998943 631802693 /nfs/dbraw/zinc/80/26/93/631802693.db2.gz IOYZBYFUCHAPMH-UHFFFAOYSA-N 1 0 314.408 3.014 20 10 DGCDRO COc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c(O)c1 ZINC000849024986 631810363 /nfs/dbraw/zinc/81/03/63/631810363.db2.gz IMAUUURMRGEEKV-UHFFFAOYSA-N 1 0 311.385 3.026 20 10 DGCDRO Cc1ccc(CNC(=[NH2+])NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000849098434 631835012 /nfs/dbraw/zinc/83/50/12/631835012.db2.gz MCYSHKMBWBOFBI-UHFFFAOYSA-N 1 0 320.440 3.185 20 10 DGCDRO CN(C)c1ccc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000849351928 631902003 /nfs/dbraw/zinc/90/20/03/631902003.db2.gz FUSXQGDKRNTLJB-LJQANCHMSA-N 1 0 311.429 3.026 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850058944 632043112 /nfs/dbraw/zinc/04/31/12/632043112.db2.gz GFDQFQMWYKDRRB-CYBMUJFWSA-N 1 0 307.434 3.215 20 10 DGCDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850134335 632063037 /nfs/dbraw/zinc/06/30/37/632063037.db2.gz WMOWMVIIHKZRFR-MLGOLLRUSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+]CCCCCCO)c(O)c(C(C)(C)C)c1 ZINC000850239486 632090494 /nfs/dbraw/zinc/09/04/94/632090494.db2.gz RPHIBMHPXVMLFW-UHFFFAOYSA-N 1 0 309.450 3.341 20 10 DGCDRO COc1cc(C[NH2+]C2(CO)CCCCC2)c(O)c(C(C)(C)C)c1 ZINC000850239750 632090923 /nfs/dbraw/zinc/09/09/23/632090923.db2.gz UWXCQAPKZHKMGD-UHFFFAOYSA-N 1 0 321.461 3.483 20 10 DGCDRO COc1cc(C[NH2+][C@]2(C)CCO[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850244750 632092248 /nfs/dbraw/zinc/09/22/48/632092248.db2.gz CJMWRWDEUMCQRW-KPZWWZAWSA-N 1 0 307.434 3.355 20 10 DGCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850249581 632094227 /nfs/dbraw/zinc/09/42/27/632094227.db2.gz DJRJGWFWPYZPBD-UZYOAWRESA-N 1 0 307.434 3.115 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H]2CCC=CO2)c(O)c(C(C)(C)C)c1 ZINC000850265679 632097394 /nfs/dbraw/zinc/09/73/94/632097394.db2.gz IMVNFAUAWRWQFL-AWEZNQCLSA-N 1 0 305.418 3.481 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2CCC=CO2)c(O)c(C(C)(C)C)c1 ZINC000850265680 632097692 /nfs/dbraw/zinc/09/76/92/632097692.db2.gz IMVNFAUAWRWQFL-CQSZACIVSA-N 1 0 305.418 3.481 20 10 DGCDRO CC[C@]1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCOC1 ZINC000850275113 632100748 /nfs/dbraw/zinc/10/07/48/632100748.db2.gz QBMJYASROCKMRC-SFHVURJKSA-N 1 0 307.434 3.357 20 10 DGCDRO COc1cc(C[NH2+]CCC2(O)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850289712 632104459 /nfs/dbraw/zinc/10/44/59/632104459.db2.gz NKQWPNXQMMUXKC-UHFFFAOYSA-N 1 0 307.434 3.093 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCOC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000850314421 632111243 /nfs/dbraw/zinc/11/12/43/632111243.db2.gz TTZUBAQKJKEZKW-HNNXBMFYSA-N 1 0 307.434 3.355 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000850326632 632114050 /nfs/dbraw/zinc/11/40/50/632114050.db2.gz APTWJWLZUZWQCA-HIFRSBDPSA-N 1 0 321.461 3.339 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCc2noc3ccccc23)c1 ZINC000850341699 632117883 /nfs/dbraw/zinc/11/78/83/632117883.db2.gz CDHQAMMOJKOZHC-UHFFFAOYSA-N 1 0 312.369 3.264 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)ccc1OC ZINC000850342228 632118995 /nfs/dbraw/zinc/11/89/95/632118995.db2.gz DPGSRUYGLUVDGM-QGZVFWFLSA-N 1 0 320.477 3.194 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCC3CC(OC)C3)CC2)cc1 ZINC000850342426 632119460 /nfs/dbraw/zinc/11/94/60/632119460.db2.gz SNNNDBPKELHSSK-UHFFFAOYSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccccc3F)C2)cc1 ZINC000850345556 632119799 /nfs/dbraw/zinc/11/97/99/632119799.db2.gz DUOFQGHBFPXQMW-HNNXBMFYSA-N 1 0 300.377 3.203 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(F)c3)C2)cc1 ZINC000850346836 632121055 /nfs/dbraw/zinc/12/10/55/632121055.db2.gz YDIWZXCKGLRJBW-INIZCTEOSA-N 1 0 300.377 3.203 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1F ZINC000850372648 632129769 /nfs/dbraw/zinc/12/97/69/632129769.db2.gz XBUJPBXSRKYKAE-AEFFLSMTSA-N 1 0 300.377 3.160 20 10 DGCDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000850383984 632134208 /nfs/dbraw/zinc/13/42/08/632134208.db2.gz GSTCXTMJYPKIAJ-BBRMVZONSA-N 1 0 319.836 3.280 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000850388280 632135813 /nfs/dbraw/zinc/13/58/13/632135813.db2.gz KQSZXONWBVNWOT-RBUKOAKNSA-N 1 0 309.409 3.452 20 10 DGCDRO CNC(=O)CC1(C[NH2+]Cc2cc(C)c(C)cc2O)CCCCC1 ZINC000850400831 632139539 /nfs/dbraw/zinc/13/95/39/632139539.db2.gz OVQLFVMXZLXTLK-UHFFFAOYSA-N 1 0 318.461 3.185 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c1 ZINC000850412126 632143975 /nfs/dbraw/zinc/14/39/75/632143975.db2.gz SYQLCDPZQYNMCJ-LIRRHRJNSA-N 1 0 315.413 3.045 20 10 DGCDRO C[C@H](O)[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850419855 632146617 /nfs/dbraw/zinc/14/66/17/632146617.db2.gz HZKXGZLGJDRDLA-QNAMOWSRSA-N 1 0 310.441 3.478 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)c1O ZINC000850421134 632147790 /nfs/dbraw/zinc/14/77/90/632147790.db2.gz VWLXHRJKXVCUQT-GUYCJALGSA-N 1 0 301.386 3.003 20 10 DGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@H]1CCOC1 ZINC000850484374 632167070 /nfs/dbraw/zinc/16/70/70/632167070.db2.gz HZLAXCJEBGKTPH-DHSIGJKJSA-N 1 0 315.413 3.248 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cnccc3C)C2)cc1 ZINC000850489223 632168558 /nfs/dbraw/zinc/16/85/58/632168558.db2.gz SCXFUTDKFGVOME-HOTGVXAUSA-N 1 0 311.429 3.328 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc2ccccc2c1O ZINC000850498773 632171651 /nfs/dbraw/zinc/17/16/51/632171651.db2.gz DAIZTWWHEIAHKX-BFQNTYOBSA-N 1 0 308.385 3.494 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1)c1ccc(C)cc1O ZINC000850501810 632173477 /nfs/dbraw/zinc/17/34/77/632173477.db2.gz POIIIHFHXCFGCK-MXSMSXNCSA-N 1 0 321.461 3.307 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1ccccc1O)c1cccc(OC)c1 ZINC000850515177 632176161 /nfs/dbraw/zinc/17/61/61/632176161.db2.gz UBCCMHJETZWKAD-DYVFJYSZSA-N 1 0 301.386 3.439 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2c(C3CC3)cnn2C)c2c1c(F)ccc2O ZINC000850535601 632184905 /nfs/dbraw/zinc/18/49/05/632184905.db2.gz XRRHKDLLUYEDOC-YGRLFVJLSA-N 1 0 315.392 3.480 20 10 DGCDRO COc1ccnc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1F ZINC000850537008 632186272 /nfs/dbraw/zinc/18/62/72/632186272.db2.gz LSPLDQTXQPUVNK-MWLCHTKSSA-N 1 0 320.339 3.412 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c(O)c1 ZINC000850540582 632186694 /nfs/dbraw/zinc/18/66/94/632186694.db2.gz NHESMJQFDMFLSP-LESCRADOSA-N 1 0 313.445 3.496 20 10 DGCDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3cccc(O)c32)cn1 ZINC000850541293 632186863 /nfs/dbraw/zinc/18/68/63/632186863.db2.gz UVXFYSGSGHELJR-YESZJQIVSA-N 1 0 311.429 3.114 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000850544670 632188133 /nfs/dbraw/zinc/18/81/33/632188133.db2.gz IKGAPNINGDSPRT-DZGCQCFKSA-N 1 0 303.446 3.330 20 10 DGCDRO CNC(=O)CC1(C[NH2+][C@@H](C)c2ccccc2O)CCCCC1 ZINC000850558116 632192713 /nfs/dbraw/zinc/19/27/13/632192713.db2.gz ZOCZIYMPLCBVBH-AWEZNQCLSA-N 1 0 304.434 3.129 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1 ZINC000850559228 632194042 /nfs/dbraw/zinc/19/40/42/632194042.db2.gz YFNNXGSRUWZDKS-CABCVRRESA-N 1 0 318.461 3.307 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1 ZINC000850559229 632194061 /nfs/dbraw/zinc/19/40/61/632194061.db2.gz YFNNXGSRUWZDKS-GJZGRUSLSA-N 1 0 318.461 3.307 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000850566512 632196612 /nfs/dbraw/zinc/19/66/12/632196612.db2.gz OOIQCXRRRPKPQZ-IBGZPJMESA-N 1 0 302.462 3.172 20 10 DGCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565915 632196674 /nfs/dbraw/zinc/19/66/74/632196674.db2.gz JQHSYDRHADMLKN-QFBILLFUSA-N 1 0 302.462 3.316 20 10 DGCDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850568331 632196699 /nfs/dbraw/zinc/19/66/99/632196699.db2.gz VOPQYNXKPHDNMP-MRXNPFEDSA-N 1 0 302.462 3.316 20 10 DGCDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565911 632196792 /nfs/dbraw/zinc/19/67/92/632196792.db2.gz JQHSYDRHADMLKN-LPHOPBHVSA-N 1 0 302.462 3.316 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c(O)c1C ZINC000850573436 632198576 /nfs/dbraw/zinc/19/85/76/632198576.db2.gz LXKKJHOJZRPDSO-OAHLLOKOSA-N 1 0 318.461 3.486 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c(O)c1 ZINC000850573965 632199062 /nfs/dbraw/zinc/19/90/62/632199062.db2.gz UJOFPRJKWMGXKM-AWEZNQCLSA-N 1 0 304.434 3.177 20 10 DGCDRO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)cc1F ZINC000109770799 632316130 /nfs/dbraw/zinc/31/61/30/632316130.db2.gz BFRPLHGZCQTAIK-ZDUSSCGKSA-N 1 0 316.376 3.299 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](OC)[C@H]2CCOC2)cc1 ZINC000851717015 632474033 /nfs/dbraw/zinc/47/40/33/632474033.db2.gz UKHJWWQRUFHZGV-HKUYNNGSSA-N 1 0 320.477 3.016 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1F ZINC000851807043 632500191 /nfs/dbraw/zinc/50/01/91/632500191.db2.gz CDYIAQAUMWXSKE-QDMKHBRRSA-N 1 0 304.409 3.002 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)NCc2ccccc2)c(O)c1 ZINC000185252759 660211505 /nfs/dbraw/zinc/21/15/05/660211505.db2.gz MTPYJOUTWIYSLH-HNNXBMFYSA-N 1 0 312.413 3.058 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(OC)c(F)c2)c1 ZINC000185333209 660216368 /nfs/dbraw/zinc/21/63/68/660216368.db2.gz IUUOOKYYNDKIOO-LBPRGKRZSA-N 1 0 319.376 3.442 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000185369075 660219621 /nfs/dbraw/zinc/21/96/21/660219621.db2.gz RLJCZZGMEDDYOI-UONOGXRCSA-N 1 0 302.462 3.404 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929976233 661355083 /nfs/dbraw/zinc/35/50/83/661355083.db2.gz MKYPESAXGKCUEG-JSGCOSHPSA-N 1 0 303.324 3.324 20 10 DGCDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186354223 660376645 /nfs/dbraw/zinc/37/66/45/660376645.db2.gz FKEYMZJHMPFOKU-CYBMUJFWSA-N 1 0 318.461 3.084 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1O ZINC000186750517 660573028 /nfs/dbraw/zinc/57/30/28/660573028.db2.gz BKRQDCHWJYWJSA-BBRMVZONSA-N 1 0 320.433 3.300 20 10 DGCDRO CC(C)(CO)CCC[NH2+]Cc1ccc(Br)cc1O ZINC000701016007 660649999 /nfs/dbraw/zinc/64/99/99/660649999.db2.gz UQYCZLMBKSNKBR-UHFFFAOYSA-N 1 0 316.239 3.043 20 10 DGCDRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000701119994 660654358 /nfs/dbraw/zinc/65/43/58/660654358.db2.gz WDMNQOLEHOSCBE-OTYXRUKQSA-N 1 0 314.223 3.058 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000701856658 660690488 /nfs/dbraw/zinc/69/04/88/660690488.db2.gz VQAIPOPOQCCSEQ-GOSISDBHSA-N 1 0 320.433 3.190 20 10 DGCDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000701919190 660691561 /nfs/dbraw/zinc/69/15/61/660691561.db2.gz JBWJJGFFVQDNHT-AWEZNQCLSA-N 1 0 321.465 3.098 20 10 DGCDRO CCC(C)(C)OCC[NH2+]Cc1c(O)cccc1Br ZINC000706809971 660873472 /nfs/dbraw/zinc/87/34/72/660873472.db2.gz WQVJPNPULSLQNE-UHFFFAOYSA-N 1 0 316.239 3.450 20 10 DGCDRO CC(C)(C)C[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000706808657 660873601 /nfs/dbraw/zinc/87/36/01/660873601.db2.gz WUBGKQAXSNFBIM-JTQLQIEISA-N 1 0 316.239 3.041 20 10 DGCDRO CCOCC(C)(C)[NH2+]Cc1c(O)cccc1Br ZINC000706822197 660873778 /nfs/dbraw/zinc/87/37/78/660873778.db2.gz XQGIXAWAZHENRV-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO COC[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000707130133 660889588 /nfs/dbraw/zinc/88/95/88/660889588.db2.gz YUIOAMLORCMJFY-LLVKDONJSA-N 1 0 314.223 3.156 20 10 DGCDRO CC[C@@H]([NH2+]C[C@](C)(O)CC)c1cc(Br)ccc1O ZINC000087011734 660964089 /nfs/dbraw/zinc/96/40/89/660964089.db2.gz KUFFPFOGWGXKSY-TZMCWYRMSA-N 1 0 316.239 3.356 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000792776924 660983688 /nfs/dbraw/zinc/98/36/88/660983688.db2.gz KLYGKESFVHNRGL-CQSZACIVSA-N 1 0 316.367 3.382 20 10 DGCDRO CC(C)OCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793077383 661003736 /nfs/dbraw/zinc/00/37/36/661003736.db2.gz OTKXKVJRCXVLCY-UHFFFAOYSA-N 1 0 304.356 3.286 20 10 DGCDRO Cc1ccc(CCC[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC000792942107 660996037 /nfs/dbraw/zinc/99/60/37/660996037.db2.gz JQAJOFZJDVNZEN-UHFFFAOYSA-N 1 0 309.457 3.495 20 10 DGCDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792946566 660996241 /nfs/dbraw/zinc/99/62/41/660996241.db2.gz QDKXQGJEBLOJBP-AWEZNQCLSA-N 1 0 318.383 3.268 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@H]1C ZINC000792977618 660998185 /nfs/dbraw/zinc/99/81/85/660998185.db2.gz MMRXBNAEWWNXAE-RLFYNMQTSA-N 1 0 318.461 3.128 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC000793022543 661000937 /nfs/dbraw/zinc/00/09/37/661000937.db2.gz QLOZBADIFAYOAT-HNNXBMFYSA-N 1 0 316.367 3.286 20 10 DGCDRO OC[C@H](CC1CCC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000793322561 661024170 /nfs/dbraw/zinc/02/41/70/661024170.db2.gz NZDMZMQSUHDFTK-SFHVURJKSA-N 1 0 302.462 3.318 20 10 DGCDRO OC[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000793322558 661024210 /nfs/dbraw/zinc/02/42/10/661024210.db2.gz NZDMZMQSUHDFTK-GOSISDBHSA-N 1 0 302.462 3.318 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(OCC(F)F)cc2)c(O)c1 ZINC000793387637 661029354 /nfs/dbraw/zinc/02/93/54/661029354.db2.gz JEDPHZPAGWOQFY-UHFFFAOYSA-N 1 0 323.339 3.335 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(O)cc1C ZINC000794650778 661096138 /nfs/dbraw/zinc/09/61/38/661096138.db2.gz MSGCFZXDAVAFDS-PWSUYJOCSA-N 1 0 303.324 3.482 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](C2CC2)O1 ZINC000794661320 661096641 /nfs/dbraw/zinc/09/66/41/661096641.db2.gz ZCRXWSVQQYBNAG-ORAYPTAESA-N 1 0 301.430 3.270 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@](C)(O)CC2)c1 ZINC000794672851 661097658 /nfs/dbraw/zinc/09/76/58/661097658.db2.gz PWOSOJBPGFZXRS-GOSISDBHSA-N 1 0 307.434 3.132 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)CCC(C)C)CC2)cc1 ZINC000795523198 661156731 /nfs/dbraw/zinc/15/67/31/661156731.db2.gz BMJDBKCYYWUOHN-GOSISDBHSA-N 1 0 320.477 3.004 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cccc(N(C)C)c2)c(O)cc1C ZINC000160455254 655636456 /nfs/dbraw/zinc/63/64/56/655636456.db2.gz PPYIAHFGQQSMDU-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](C)OC[C@H]3C)c2c1 ZINC000043751591 655717923 /nfs/dbraw/zinc/71/79/23/655717923.db2.gz BRBIVJKQPFIOQF-OLZOCXBDSA-N 1 0 301.386 3.163 20 10 DGCDRO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000309696839 655876194 /nfs/dbraw/zinc/87/61/94/655876194.db2.gz DSSPEYWAPNZCCC-QAPCUYQASA-N 1 0 310.441 3.490 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC(C3CCOCC3)CC2)c1O ZINC000164602257 655980291 /nfs/dbraw/zinc/98/02/91/655980291.db2.gz FWZYEIAOENFZIL-UHFFFAOYSA-N 1 0 319.445 3.348 20 10 DGCDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000309701330 656041980 /nfs/dbraw/zinc/04/19/80/656041980.db2.gz GFHAWDKFRFUWQF-MRXNPFEDSA-N 1 0 310.441 3.232 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000236677318 656113778 /nfs/dbraw/zinc/11/37/78/656113778.db2.gz LTISOUGZWPHBQU-PMACEKPBSA-N 1 0 313.489 3.393 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1O ZINC000184912849 656122138 /nfs/dbraw/zinc/12/21/38/656122138.db2.gz FWZQUXSFTPKREJ-MCIONIFRSA-N 1 0 324.440 3.070 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000188807639 656149091 /nfs/dbraw/zinc/14/90/91/656149091.db2.gz YNZCGZBFNFYOAI-BXUZGUMPSA-N 1 0 321.314 3.105 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1O ZINC000191779856 656172439 /nfs/dbraw/zinc/17/24/39/656172439.db2.gz ZXIXMHNCZZBPLL-OXQOHEQNSA-N 1 0 313.441 3.420 20 10 DGCDRO CCCN(Cc1c(CC)nn(C)c1CC)c1ccc(C[NH3+])cc1 ZINC000194978767 656207092 /nfs/dbraw/zinc/20/70/92/656207092.db2.gz QMARMMMITPQWCI-UHFFFAOYSA-N 1 0 314.477 3.420 20 10 DGCDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093558729 656359628 /nfs/dbraw/zinc/35/96/28/656359628.db2.gz VKMFTQKGSTVTJS-HNNXBMFYSA-N 1 0 308.491 3.097 20 10 DGCDRO Cc1cncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000181827777 656385054 /nfs/dbraw/zinc/38/50/54/656385054.db2.gz XHUUFXCZXHKAEO-MRXNPFEDSA-N 1 0 311.429 3.077 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(Cl)c1 ZINC000840946000 656580714 /nfs/dbraw/zinc/58/07/14/656580714.db2.gz FELNHNXLAMFXCT-XJKSGUPXSA-N 1 0 308.853 3.413 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c(O)c1 ZINC000320153769 656847858 /nfs/dbraw/zinc/84/78/58/656847858.db2.gz JVIAYRHARFFHIF-CQSZACIVSA-N 1 0 318.461 3.388 20 10 DGCDRO CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001044422694 656921308 /nfs/dbraw/zinc/92/13/08/656921308.db2.gz TUSIWMKSYIDVGH-NVXWUHKLSA-N 1 0 318.461 3.273 20 10 DGCDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)C1(C)C ZINC000236866341 656937108 /nfs/dbraw/zinc/93/71/08/656937108.db2.gz SXGIUKFTJVRVGH-IRXDYDNUSA-N 1 0 307.434 3.474 20 10 DGCDRO Cc1ncccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000237509859 656962954 /nfs/dbraw/zinc/96/29/54/656962954.db2.gz DAFZLZYGPWYKPV-HNNXBMFYSA-N 1 0 311.429 3.077 20 10 DGCDRO CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001050276805 657284154 /nfs/dbraw/zinc/28/41/54/657284154.db2.gz NVSQMQYJCHHAPY-JCNLHEQBSA-N 1 0 318.461 3.178 20 10 DGCDRO CCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000959849157 657712227 /nfs/dbraw/zinc/71/22/27/657712227.db2.gz XVYPYLCYRJFPMV-KRWDZBQOSA-N 1 0 318.461 3.274 20 10 DGCDRO C[N@H+](CCCOc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000029540285 657763907 /nfs/dbraw/zinc/76/39/07/657763907.db2.gz MVMFQUCZQUFBMR-UHFFFAOYSA-N 1 0 315.369 3.022 20 10 DGCDRO CCC(CC)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000967269848 658556265 /nfs/dbraw/zinc/55/62/65/658556265.db2.gz QEIQZESYBZMJAO-QGZVFWFLSA-N 1 0 318.461 3.130 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000155815397 658850376 /nfs/dbraw/zinc/85/03/76/658850376.db2.gz AMGJHNVOFOXYQL-DZGCQCFKSA-N 1 0 320.433 3.442 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000164210873 658921692 /nfs/dbraw/zinc/92/16/92/658921692.db2.gz LRGBHEDNKIYZJU-GOSISDBHSA-N 1 0 324.424 3.072 20 10 DGCDRO Cc1nc(C[NH2+]Cc2cc(Br)ccc2O)cs1 ZINC000226036766 659091380 /nfs/dbraw/zinc/09/13/80/659091380.db2.gz OTVZDAYYPAQRAY-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)N2CCCCC2)c1O ZINC000228671715 659202081 /nfs/dbraw/zinc/20/20/81/659202081.db2.gz MWXLNXXHOSMTBE-LBPRGKRZSA-N 1 0 312.841 3.018 20 10 DGCDRO CN(C)C(=O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000171127641 659260935 /nfs/dbraw/zinc/26/09/35/659260935.db2.gz XOBOKLUWKRIJJO-UHFFFAOYSA-N 1 0 320.477 3.165 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccccc3)C1)OCO2 ZINC000172916070 659365684 /nfs/dbraw/zinc/36/56/84/659365684.db2.gz AIGXYBYJOLKLHS-OAHLLOKOSA-N 1 0 311.381 3.186 20 10 DGCDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000173484323 659389581 /nfs/dbraw/zinc/38/95/81/659389581.db2.gz WTDHKUBPKPHWRN-CHWSQXEVSA-N 1 0 309.431 3.227 20 10 DGCDRO COc1ccc(N2CC[NH+](CCCC(C)(F)F)CC2)cc1F ZINC000929824571 659657915 /nfs/dbraw/zinc/65/79/15/659657915.db2.gz WZECBQHVAZRMPE-UHFFFAOYSA-N 1 0 316.367 3.392 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1ccns1)C[C@@H]1CCCO1 ZINC000929970726 659867761 /nfs/dbraw/zinc/86/77/61/659867761.db2.gz KMYGDRADSTUWEY-HNNXBMFYSA-N 1 0 318.442 3.072 20 10 DGCDRO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1ccccc1O ZINC000179582908 659933757 /nfs/dbraw/zinc/93/37/57/659933757.db2.gz SVRBVNWMCJUWPM-UHFFFAOYSA-N 1 0 318.383 3.488 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)CCc2ccccc2OC)c1 ZINC000180066367 659951685 /nfs/dbraw/zinc/95/16/85/659951685.db2.gz OEWFASCLIJOOFW-UHFFFAOYSA-N 1 0 301.386 3.084 20 10 DGCDRO CCC[N@H+](CCC(=O)NC1CCCC1)Cc1ccccc1O ZINC000068973533 659970725 /nfs/dbraw/zinc/97/07/25/659970725.db2.gz VWDVPKWATCDZDB-UHFFFAOYSA-N 1 0 304.434 3.053 20 10 DGCDRO CC(C)([NH2+]Cc1cc(F)ccc1O)C(=O)NCC1CCCCC1 ZINC000180839871 659972789 /nfs/dbraw/zinc/97/27/89/659972789.db2.gz UCBZGHIYTDKGMA-UHFFFAOYSA-N 1 0 322.424 3.096 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000180910044 659973610 /nfs/dbraw/zinc/97/36/10/659973610.db2.gz MKLQASNYCCLRAN-OAHLLOKOSA-N 1 0 309.381 3.087 20 10 DGCDRO C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccccc1O ZINC000183604368 660126075 /nfs/dbraw/zinc/12/60/75/660126075.db2.gz FJMYGKAPJGYVKN-CQSZACIVSA-N 1 0 304.434 3.129 20 10 DGCDRO C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccccc1O ZINC000183625174 660126595 /nfs/dbraw/zinc/12/65/95/660126595.db2.gz PXMZBRHKBCHNCK-ZDUSSCGKSA-N 1 0 309.369 3.336 20 10 DGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(C)c3)c2)CC1 ZINC000184268403 660161238 /nfs/dbraw/zinc/16/12/38/660161238.db2.gz MGMRIZVPFFYNQL-UHFFFAOYSA-N 1 0 323.440 3.389 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCC(C)([NH+](C)C)CC2)c1O ZINC000931351112 661470002 /nfs/dbraw/zinc/47/00/02/661470002.db2.gz HDNRAIBYGUOAPD-UHFFFAOYSA-N 1 0 324.852 3.164 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)ccc1N(C)C ZINC000932130482 661540084 /nfs/dbraw/zinc/54/00/84/661540084.db2.gz MECSGCIPXVVVNI-KRWDZBQOSA-N 1 0 312.461 3.174 20 10 DGCDRO CC[C@H]([NH2+]CCCOCC1CCOCC1)c1ccccc1O ZINC000155960981 661855494 /nfs/dbraw/zinc/85/54/94/661855494.db2.gz AMSDEUQNKPFTQV-KRWDZBQOSA-N 1 0 307.434 3.266 20 10 DGCDRO COc1cccc(C[NH+]2CCN(c3cccc(C)c3)CC2)c1O ZINC000155974762 661855999 /nfs/dbraw/zinc/85/59/99/661855999.db2.gz NLINZLCTKLTHML-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO CCOC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(C)C ZINC000188002863 661911274 /nfs/dbraw/zinc/91/12/74/661911274.db2.gz TXIYPQLQGNYLJS-CYBMUJFWSA-N 1 0 301.814 3.205 20 10 DGCDRO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccccc1O ZINC000188033041 661911643 /nfs/dbraw/zinc/91/16/43/661911643.db2.gz WXWLNCYVUYFAQU-AWEZNQCLSA-N 1 0 300.377 3.242 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)c1nnnn1C1CC1 ZINC000189146781 661965677 /nfs/dbraw/zinc/96/56/77/661965677.db2.gz OVLFKEPSQDVXGK-RYUDHWBXSA-N 1 0 323.400 3.279 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000191587772 662073165 /nfs/dbraw/zinc/07/31/65/662073165.db2.gz HEDKTUSMSQFQRF-LPHOPBHVSA-N 1 0 312.457 3.315 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000191585661 662073206 /nfs/dbraw/zinc/07/32/06/662073206.db2.gz HERLZNQUANFHEM-CJNGLKHVSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC000191713147 662079088 /nfs/dbraw/zinc/07/90/88/662079088.db2.gz CDHRLTUVOSIRGO-OXJNMPFZSA-N 1 0 313.441 3.420 20 10 DGCDRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000078973765 662093240 /nfs/dbraw/zinc/09/32/40/662093240.db2.gz YGRMTUNTMPUKGJ-OAHLLOKOSA-N 1 0 316.470 3.306 20 10 DGCDRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000078973760 662093321 /nfs/dbraw/zinc/09/33/21/662093321.db2.gz YGRMTUNTMPUKGJ-HNNXBMFYSA-N 1 0 316.470 3.306 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000192684029 662107910 /nfs/dbraw/zinc/10/79/10/662107910.db2.gz GJDQTORADVOZTP-OLZOCXBDSA-N 1 0 308.422 3.264 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)c1 ZINC000192907324 662115530 /nfs/dbraw/zinc/11/55/30/662115530.db2.gz XXCJFDVYYAQHHO-KDOFPFPSSA-N 1 0 314.429 3.354 20 10 DGCDRO CCO[C@@H](C[NH2+]Cc1cccc(OC)c1O)c1ccccc1 ZINC000194464999 662166564 /nfs/dbraw/zinc/16/65/64/662166564.db2.gz NTQHNFLRTTZWSY-KRWDZBQOSA-N 1 0 301.386 3.268 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245554156 662235979 /nfs/dbraw/zinc/23/59/79/662235979.db2.gz GQXMMVGSWMXUHF-PKOBYXMFSA-N 1 0 300.446 3.288 20 10 DGCDRO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)Cc1ccccc1O ZINC000245809144 662242245 /nfs/dbraw/zinc/24/22/45/662242245.db2.gz NQPNQRHRBYQKHV-DLTWYDFYSA-N 1 0 318.461 3.153 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000090178142 662255037 /nfs/dbraw/zinc/25/50/37/662255037.db2.gz BHBJBERRFMVIRM-DOTOQJQBSA-N 1 0 317.477 3.193 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000246508008 662263063 /nfs/dbraw/zinc/26/30/63/662263063.db2.gz TWKLSUQHWPOYKN-FDQGKXFDSA-N 1 0 306.425 3.380 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)cc1 ZINC000247977964 662331686 /nfs/dbraw/zinc/33/16/86/662331686.db2.gz LTIZXBIIUSPFLT-QFBILLFUSA-N 1 0 320.477 3.379 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)ccc1N1CCOCC1 ZINC000092781003 662335691 /nfs/dbraw/zinc/33/56/91/662335691.db2.gz LLVZQNUGSOHNGJ-GOSISDBHSA-N 1 0 318.436 3.427 20 10 DGCDRO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)ccc1O ZINC000093712261 662358782 /nfs/dbraw/zinc/35/87/82/662358782.db2.gz CMTSFWDMPCKCLR-NRFANRHFSA-N 1 0 323.845 3.415 20 10 DGCDRO COCCC[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000066371080 685055665 /nfs/dbraw/zinc/05/56/65/685055665.db2.gz OKVIYDRRNBFZJT-UHFFFAOYSA-N 1 0 303.402 3.486 20 10 DGCDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000378926640 685146266 /nfs/dbraw/zinc/14/62/66/685146266.db2.gz UIEBTQOJCSSTBZ-QZTJIDSGSA-N 1 0 320.502 3.287 20 10 DGCDRO CCN(CC[NH2+][C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000390816918 685206513 /nfs/dbraw/zinc/20/65/13/685206513.db2.gz NAASPDNYEHRKSR-AWEZNQCLSA-N 1 0 320.433 3.226 20 10 DGCDRO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000391724912 685211722 /nfs/dbraw/zinc/21/17/22/685211722.db2.gz GCVGCMXWSRLAQY-OAHLLOKOSA-N 1 0 316.445 3.006 20 10 DGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000397858617 685233002 /nfs/dbraw/zinc/23/30/02/685233002.db2.gz XMMUJHJGPAJLGS-GJZGRUSLSA-N 1 0 320.433 3.174 20 10 DGCDRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000397858618 685233100 /nfs/dbraw/zinc/23/31/00/685233100.db2.gz XMMUJHJGPAJLGS-HUUCEWRRSA-N 1 0 320.433 3.174 20 10 DGCDRO CC[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001074536330 687285005 /nfs/dbraw/zinc/28/50/05/687285005.db2.gz PJTFFBUMTVGXSH-KMFMINBZSA-N 1 0 318.461 3.129 20 10 DGCDRO CC[C@H](C)C[C@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001576972539 1191877723 /nfs/dbraw/zinc/87/77/23/1191877723.db2.gz VWXBLBPIMJIDKM-KSSFIOAISA-N 1 0 317.477 3.007 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cc1 ZINC001578425638 1191942904 /nfs/dbraw/zinc/94/29/04/1191942904.db2.gz KHJIHDCAQUKSLO-GOSISDBHSA-N 1 0 301.478 3.236 20 10 DGCDRO Cc1c(F)cc(Cl)c2c1CCCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC001579537369 1191978866 /nfs/dbraw/zinc/97/88/66/1191978866.db2.gz PEFVSPDKCAIPNH-LLVKDONJSA-N 1 0 308.784 3.114 20 10 DGCDRO Cc1cc(C(=O)NC[C@@H](C)C[NH3+])c(C)n1-c1cc(C)cc(C)c1 ZINC001579576761 1191980535 /nfs/dbraw/zinc/98/05/35/1191980535.db2.gz LRGJRSGOQPLDFI-AWEZNQCLSA-N 1 0 313.445 3.036 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC1([NH3+])CCCC1 ZINC001579674115 1191985635 /nfs/dbraw/zinc/98/56/35/1191985635.db2.gz NCCCZPAUPUIFSR-UHFFFAOYSA-N 1 0 317.458 3.157 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC001579674296 1191985648 /nfs/dbraw/zinc/98/56/48/1191985648.db2.gz PBCGJBBTKTWBHL-SFHVURJKSA-N 1 0 311.429 3.048 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580885545 1192044179 /nfs/dbraw/zinc/04/41/79/1192044179.db2.gz DOPJTOHVPRRKKN-YSCVYTRNSA-N 1 0 315.244 3.319 20 10 DGCDRO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001620825751 1192219132 /nfs/dbraw/zinc/21/91/32/1192219132.db2.gz HZLHZMCZHFHMJU-AWEZNQCLSA-N 1 0 308.422 3.085 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCC[C@H]1O ZINC001620829778 1192276500 /nfs/dbraw/zinc/27/65/00/1192276500.db2.gz PMYILGGFMVAVLF-MOPGFXCFSA-N 1 0 302.462 3.318 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC(OC(C)(C)C)CC2)c(O)c1 ZINC001663726123 1196934928 /nfs/dbraw/zinc/93/49/28/1196934928.db2.gz MQLWNYGVVJAJEP-UHFFFAOYSA-N 1 0 307.434 3.489 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(C)c(-c2nn[nH]n2)c1)c1ccccc1O ZINC001590467226 1192512723 /nfs/dbraw/zinc/51/27/23/1192512723.db2.gz TWLZWUHPDBGEGL-INIZCTEOSA-N 1 0 323.400 3.122 20 10 DGCDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001620966417 1192689045 /nfs/dbraw/zinc/68/90/45/1192689045.db2.gz AYPXHMKCPNTGNQ-CYBMUJFWSA-N 1 0 315.388 3.490 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4CSC[C@@H]4C3)c2c1 ZINC001331051171 1178123989 /nfs/dbraw/zinc/12/39/89/1178123989.db2.gz KDQLDQBTZZKUDE-OKILXGFUSA-N 1 0 315.438 3.349 20 10 DGCDRO CC1CCC(O)(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001621020664 1192869916 /nfs/dbraw/zinc/86/99/16/1192869916.db2.gz PVOWAHVRCZGNJS-SNAWJCMRSA-N 1 0 302.462 3.297 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)cc1Cn1cccn1 ZINC001332314621 1178417053 /nfs/dbraw/zinc/41/70/53/1178417053.db2.gz ZULPUVHKGGAPSY-SJORKVTESA-N 1 0 317.408 3.310 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](c2ccsc2)N(C)C)c1O ZINC001334351154 1178752692 /nfs/dbraw/zinc/75/26/92/1178752692.db2.gz WSKJNOMFFHQOEF-OAHLLOKOSA-N 1 0 320.458 3.163 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2nc(C3CC3)cs2)c1O ZINC001334360310 1178754827 /nfs/dbraw/zinc/75/48/27/1178754827.db2.gz URHUIHOJZPRMBP-UHFFFAOYSA-N 1 0 304.415 3.333 20 10 DGCDRO COc1ccc(C[NH2+]C(C)(C)c2cccs2)c(O)c1OC ZINC001342947087 1179214973 /nfs/dbraw/zinc/21/49/73/1179214973.db2.gz KLGWENKCSAHYRA-UHFFFAOYSA-N 1 0 307.415 3.496 20 10 DGCDRO CN(Cc1ccc(N2CCCC2)cc1)CC1([NH+](C)C)CCC1 ZINC001343299936 1179253087 /nfs/dbraw/zinc/25/30/87/1179253087.db2.gz JXBNHLDCRKOSNW-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ncccc3C)C2)cc1 ZINC001345659969 1179589224 /nfs/dbraw/zinc/58/92/24/1179589224.db2.gz HMBHEFGWPQNXCJ-INIZCTEOSA-N 1 0 311.429 3.015 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1F ZINC001351328570 1180201342 /nfs/dbraw/zinc/20/13/42/1180201342.db2.gz GBHAKFOLVFKIGP-QZTJIDSGSA-N 1 0 324.415 3.326 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c(O)c1OC ZINC001355321780 1181035862 /nfs/dbraw/zinc/03/58/62/1181035862.db2.gz SOTKNTCHENWCIH-BDJLRTHQSA-N 1 0 315.369 3.021 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC001355362022 1181043766 /nfs/dbraw/zinc/04/37/66/1181043766.db2.gz IFOBRMQTVAKSHM-MOPGFXCFSA-N 1 0 300.446 3.334 20 10 DGCDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(C(C)C)ccc2O)C1 ZINC001474625719 1181595521 /nfs/dbraw/zinc/59/55/21/1181595521.db2.gz SAZROIVWYSEPMA-CGTJXYLNSA-N 1 0 321.461 3.171 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC001448788554 1182216033 /nfs/dbraw/zinc/21/60/33/1182216033.db2.gz SHEVOKVUKXZOOQ-UHFFFAOYSA-N 1 0 323.440 3.086 20 10 DGCDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC001460080759 1182648551 /nfs/dbraw/zinc/64/85/51/1182648551.db2.gz FZNUMBXOAQJKHJ-CABCVRRESA-N 1 0 311.422 3.498 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@H](CC(=O)OC)C(C)(C)C)cc1 ZINC001460833148 1182729986 /nfs/dbraw/zinc/72/99/86/1182729986.db2.gz CWMPEJTXERSYDM-INIZCTEOSA-N 1 0 306.450 3.210 20 10 DGCDRO CC[C@@H]1CCCCN1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461182742 1182779225 /nfs/dbraw/zinc/77/92/25/1182779225.db2.gz QSKAFPNAURPPJK-GOSISDBHSA-N 1 0 302.462 3.366 20 10 DGCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001461253284 1182786679 /nfs/dbraw/zinc/78/66/79/1182786679.db2.gz DIZOUOZLCZHZBT-IBGZPJMESA-N 1 0 310.441 3.153 20 10 DGCDRO COc1ccc(C[NH2+]CCc2c(F)cc(O)cc2F)cc1C ZINC001461789165 1182855766 /nfs/dbraw/zinc/85/57/66/1182855766.db2.gz YKKCZXAYFOFPPG-UHFFFAOYSA-N 1 0 307.340 3.320 20 10 DGCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001461960875 1182885555 /nfs/dbraw/zinc/88/55/55/1182885555.db2.gz SQTDQPZUBLXWEH-ZDUSSCGKSA-N 1 0 324.852 3.030 20 10 DGCDRO Cn1nc(C[NH2+]Cc2ccc(Cl)cc2O)c2ccccc21 ZINC001462065308 1182903424 /nfs/dbraw/zinc/90/34/24/1182903424.db2.gz TVMBFOXGRNOUIG-UHFFFAOYSA-N 1 0 301.777 3.222 20 10 DGCDRO Cc1ccc(C[N@H+]2CC[C@H](N(C)CCc3ccccc3)C2)c(O)c1 ZINC001462410290 1182949107 /nfs/dbraw/zinc/94/91/07/1182949107.db2.gz CFRUKPJHTXJEPS-FQEVSTJZSA-N 1 0 324.468 3.449 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H](OC)C3CCCC3)C2)cc1 ZINC001462421848 1182950365 /nfs/dbraw/zinc/95/03/65/1182950365.db2.gz RPFVFUQMOKCRQP-VQIMIIECSA-N 1 0 318.461 3.069 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC001462440751 1182954080 /nfs/dbraw/zinc/95/40/80/1182954080.db2.gz AYKXHZCJMHXOBO-MRXNPFEDSA-N 1 0 323.371 3.494 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2ccc(Br)cc2O)CCCCO1 ZINC001653181039 1195696079 /nfs/dbraw/zinc/69/60/79/1195696079.db2.gz KCNIQPHCTWVOLN-AWEZNQCLSA-N 1 0 314.223 3.204 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC[C@]2(CCOC2)O1)c1ccc(N(C)C)cc1 ZINC001473401147 1183752661 /nfs/dbraw/zinc/75/26/61/1183752661.db2.gz ZAMOGFVNOXLMPK-KFKAGJAMSA-N 1 0 318.461 3.131 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)cc1F ZINC001473950136 1183836437 /nfs/dbraw/zinc/83/64/37/1183836437.db2.gz DXWMEQTUYORLGW-QGZVFWFLSA-N 1 0 318.440 3.293 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1Cl ZINC001474012225 1183850176 /nfs/dbraw/zinc/85/01/76/1183850176.db2.gz FYUFIDFRYHRMMD-KRWDZBQOSA-N 1 0 317.816 3.488 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC(C)(C)c2cccnc2)c(O)c1 ZINC001474583524 1183945000 /nfs/dbraw/zinc/94/50/00/1183945000.db2.gz KNAQSERNTWFFSE-UHFFFAOYSA-N 1 0 300.402 3.172 20 10 DGCDRO C[C@H]1CC[C@@](CO)([NH2+]Cc2cc(F)ccc2O)c2ccccc21 ZINC001474757746 1183973888 /nfs/dbraw/zinc/97/38/88/1183973888.db2.gz ZGEULSRFLJPTMP-DJJJIMSYSA-N 1 0 315.388 3.406 20 10 DGCDRO C[C@@H](NC(=O)c1cc2c[nH]ccc-2n1)c1ccc(N(C)C)cc1 ZINC001556260524 1188992580 /nfs/dbraw/zinc/99/25/80/1188992580.db2.gz MDGABGZAPYYNNG-GFCCVEGCSA-N 1 0 308.385 3.120 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(N(C)C)CCSC2)cc1 ZINC001560363967 1189317991 /nfs/dbraw/zinc/31/79/91/1189317991.db2.gz NKJPSPQRNCNBJG-GOSISDBHSA-N 1 0 321.534 3.060 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCCCN2C2CC2)cc1F ZINC001560463836 1189331470 /nfs/dbraw/zinc/33/14/70/1189331470.db2.gz HLFIJOKRKYZHJW-OAHLLOKOSA-N 1 0 323.431 3.137 20 10 DGCDRO Cc1cccc2c1C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CO2 ZINC001560541227 1189338337 /nfs/dbraw/zinc/33/83/37/1189338337.db2.gz PGKKPEVAUNFIPL-KRWDZBQOSA-N 1 0 309.409 3.413 20 10 DGCDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001560699509 1189364238 /nfs/dbraw/zinc/36/42/38/1189364238.db2.gz VNHJGGSLRARMLX-UHFFFAOYSA-N 1 0 324.852 3.124 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC001560845479 1189392851 /nfs/dbraw/zinc/39/28/51/1189392851.db2.gz VKAHZSQSJKOYIA-HKUYNNGSSA-N 1 0 303.446 3.402 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC001560909032 1189404382 /nfs/dbraw/zinc/40/43/82/1189404382.db2.gz IWSMRGQRDGNSMQ-CVEARBPZSA-N 1 0 308.853 3.461 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccn2C2CC2)cc1 ZINC001560917763 1189405414 /nfs/dbraw/zinc/40/54/14/1189405414.db2.gz YJPSETJZDWUQKG-UHFFFAOYSA-N 1 0 313.445 3.400 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC001560920897 1189405487 /nfs/dbraw/zinc/40/54/87/1189405487.db2.gz UEASVGXDRBCXBO-IUODEOHRSA-N 1 0 321.417 3.095 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001561004719 1189419290 /nfs/dbraw/zinc/41/92/90/1189419290.db2.gz TVGVLFHVZISORR-PWSUYJOCSA-N 1 0 309.715 3.245 20 10 DGCDRO CCC[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001566833666 1189917055 /nfs/dbraw/zinc/91/70/55/1189917055.db2.gz RLVSEAFXTFREHI-RRQGHBQHSA-N 1 0 318.461 3.177 20 10 DGCDRO CC[C@@H](CNC(=O)CC(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567947429 1190370957 /nfs/dbraw/zinc/37/09/57/1190370957.db2.gz LYEUHERDFNGFRS-INIZCTEOSA-N 1 0 306.450 3.034 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)[C@H](C)CC[NH+](C)C ZINC001568137437 1190433128 /nfs/dbraw/zinc/43/31/28/1190433128.db2.gz RSHTWWCNQMXMPO-OAHLLOKOSA-N 1 0 306.450 3.109 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)=C2CCC2)cc1C ZINC001568991416 1190605502 /nfs/dbraw/zinc/60/55/02/1190605502.db2.gz WUHRUTNEPVUAKI-CQSZACIVSA-N 1 0 316.445 3.098 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)C(C)C)C(C)(C)C)cc1C ZINC001571619283 1191065340 /nfs/dbraw/zinc/06/53/40/1191065340.db2.gz NVXPEPOBWILTMK-KRWDZBQOSA-N 1 0 320.477 3.280 20 10 DGCDRO c1ccc(-c2ncc(C[NH2+]Cc3ccc4c(c3)CCO4)cn2)cc1 ZINC001620760742 1191441442 /nfs/dbraw/zinc/44/14/42/1191441442.db2.gz QHPXORNRLLTBFK-UHFFFAOYSA-N 1 0 317.392 3.368 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC001620538350 1193776668 /nfs/dbraw/zinc/77/66/68/1193776668.db2.gz WKCAWCGZVNIKLN-PMACEKPBSA-N 1 0 307.441 3.216 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1F ZINC001621100313 1193801495 /nfs/dbraw/zinc/80/14/95/1193801495.db2.gz ZIZGLXIMNVOKTN-NVXWUHKLSA-N 1 0 306.425 3.187 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001621114672 1193804570 /nfs/dbraw/zinc/80/45/70/1193804570.db2.gz QVFJEIWSNOEESB-DOTOQJQBSA-N 1 0 318.461 3.217 20 10 DGCDRO CCCN(CC[NH+](CC)CC)Cc1cc(F)c(F)cc1O ZINC001621232996 1193819792 /nfs/dbraw/zinc/81/97/92/1193819792.db2.gz CQQACKRPEXZLBX-UHFFFAOYSA-N 1 0 300.393 3.224 20 10 DGCDRO COc1cc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001621272019 1193825616 /nfs/dbraw/zinc/82/56/16/1193825616.db2.gz RNMINDBPRWVBGS-ZIAGYGMSSA-N 1 0 320.477 3.223 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC001621373257 1193835276 /nfs/dbraw/zinc/83/52/76/1193835276.db2.gz SEDQWFNXNVLILN-CYBMUJFWSA-N 1 0 312.200 3.343 20 10 DGCDRO OC[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccc(F)cc1F ZINC001621452033 1193844378 /nfs/dbraw/zinc/84/43/78/1193844378.db2.gz KSKJKNBBAVDSDH-CQSZACIVSA-N 1 0 313.731 3.147 20 10 DGCDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(Cl)cc1O)CCO2 ZINC001621554960 1193857839 /nfs/dbraw/zinc/85/78/39/1193857839.db2.gz NTLZEIBSYNRAAS-CVEARBPZSA-N 1 0 311.809 3.211 20 10 DGCDRO Fc1ccc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)cc1F ZINC001649210690 1194106159 /nfs/dbraw/zinc/10/61/59/1194106159.db2.gz ZTUBSKMDXBUSGS-UHFFFAOYSA-N 1 0 319.351 3.458 20 10 DGCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](CC)C(=O)OCC ZINC001645268825 1195170675 /nfs/dbraw/zinc/17/06/75/1195170675.db2.gz CSJNHRHUWFIGJI-KRWDZBQOSA-N 1 0 306.450 3.306 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC001650707592 1195374268 /nfs/dbraw/zinc/37/42/68/1195374268.db2.gz DSDVNXLEAKKQQZ-WOJBJXKFSA-N 1 0 306.409 3.235 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]CCc2nc(C)n[nH]2)cc1 ZINC001650795604 1195382829 /nfs/dbraw/zinc/38/28/29/1195382829.db2.gz TXVGUPRILFGZDS-UHFFFAOYSA-N 1 0 315.465 3.072 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CC1(CF)CCOCC1 ZINC001651094305 1195413190 /nfs/dbraw/zinc/41/31/90/1195413190.db2.gz NMPNBDUHKLXELC-UHFFFAOYSA-N 1 0 304.409 3.343 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c[nH]nc2-c2cccnc2)c1 ZINC001651273315 1195435381 /nfs/dbraw/zinc/43/53/81/1195435381.db2.gz DXOXWOXDKZRHMN-LBPRGKRZSA-N 1 0 324.384 3.037 20 10 DGCDRO COc1ccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)c(O)c1 ZINC001652294929 1195577300 /nfs/dbraw/zinc/57/73/00/1195577300.db2.gz GRWGFEPASDVZSY-UHFFFAOYSA-N 1 0 309.369 3.081 20 10 DGCDRO C[S@](=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001652605546 1195625143 /nfs/dbraw/zinc/62/51/43/1195625143.db2.gz SQKUYCZDECOBLZ-FQEVSTJZSA-N 1 0 309.818 3.073 20 10 DGCDRO COC1([C@@H](C)[NH2+]Cc2cc(C(C)C)ccc2O)CCOCC1 ZINC001652685233 1195636248 /nfs/dbraw/zinc/63/62/48/1195636248.db2.gz XLSNIJWJDYMFRC-CQSZACIVSA-N 1 0 307.434 3.189 20 10 DGCDRO Cc1ccc(F)cc1NC(=O)CC[N@@H+](C)Cc1ccccc1O ZINC001652732564 1195642757 /nfs/dbraw/zinc/64/27/57/1195642757.db2.gz VRNRSGRXCWJTPU-UHFFFAOYSA-N 1 0 316.376 3.300 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC001652862835 1195662975 /nfs/dbraw/zinc/66/29/75/1195662975.db2.gz FJZHSNFVIJWSDY-UHFFFAOYSA-N 1 0 305.752 3.076 20 10 DGCDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001652888798 1195666961 /nfs/dbraw/zinc/66/69/61/1195666961.db2.gz PYIODNQLUBCNSQ-INIZCTEOSA-N 1 0 318.461 3.252 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@H](OCC)C3CC3)CC2)cc1 ZINC001652963904 1195675823 /nfs/dbraw/zinc/67/58/23/1195675823.db2.gz CSZKCHGOWJTMIY-IBGZPJMESA-N 1 0 318.461 3.022 20 10 DGCDRO Cc1ccc(C[N@@H+]2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001653209582 1195698871 /nfs/dbraw/zinc/69/88/71/1195698871.db2.gz CFVPIGNVWKSBTP-BETUJISGSA-N 1 0 316.367 3.158 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CCC(=O)OC)C2)cc1 ZINC001654691880 1195831160 /nfs/dbraw/zinc/83/11/60/1195831160.db2.gz BQJVOZAQPQHKFB-MRXNPFEDSA-N 1 0 318.461 3.308 20 10 DGCDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001654826392 1195845163 /nfs/dbraw/zinc/84/51/63/1195845163.db2.gz JUSCHVXDQQSVEL-IAGOWNOFSA-N 1 0 302.462 3.391 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC001655259504 1195896388 /nfs/dbraw/zinc/89/63/88/1195896388.db2.gz LMEFOFABIOKCJM-UHFFFAOYSA-N 1 0 324.472 3.428 20 10 DGCDRO C[C@H](CN1CCCCC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001655259507 1195896635 /nfs/dbraw/zinc/89/66/35/1195896635.db2.gz LNOMCKMSVFUHOJ-IWAYRVGRSA-N 1 0 301.478 3.230 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCC(C)CC1 ZINC001655454677 1195920080 /nfs/dbraw/zinc/92/00/80/1195920080.db2.gz QPALVRWSNKVXJD-HNNXBMFYSA-N 1 0 307.457 3.102 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCOC2CCCCC2)cc1F ZINC001655543316 1195930069 /nfs/dbraw/zinc/93/00/69/1195930069.db2.gz CRAMAEIZDNMLFY-UHFFFAOYSA-N 1 0 312.404 3.470 20 10 DGCDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC001656292016 1196027606 /nfs/dbraw/zinc/02/76/06/1196027606.db2.gz OJYVDWSVEKZYHS-QAPCUYQASA-N 1 0 310.457 3.270 20 10 DGCDRO CO[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C12CCC2 ZINC001656405421 1196037069 /nfs/dbraw/zinc/03/70/69/1196037069.db2.gz OTLUXDUUNPFATO-QBWLCUQFSA-N 1 0 300.446 3.313 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N1CCC[C@@H](C)C1 ZINC001656761410 1196069644 /nfs/dbraw/zinc/06/96/44/1196069644.db2.gz NZXYUMRLLXERRX-MSOLQXFVSA-N 1 0 315.505 3.497 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2(C)CCOCC2)ccc1OC ZINC001656926203 1196084378 /nfs/dbraw/zinc/08/43/78/1196084378.db2.gz IRTYFXWMSLLYMA-UHFFFAOYSA-N 1 0 307.434 3.138 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](CO)CC(C)(C)C)ccc1OC ZINC001656951878 1196086533 /nfs/dbraw/zinc/08/65/33/1196086533.db2.gz HFFBPBCEFIGCPK-INIZCTEOSA-N 1 0 309.450 3.118 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc3[nH]c(=O)oc32)cc1F ZINC001657004335 1196092088 /nfs/dbraw/zinc/09/20/88/1196092088.db2.gz ZUTNBGBJIOTOOJ-UHFFFAOYSA-N 1 0 315.348 3.028 20 10 DGCDRO CN(C)c1ccc(/C=C\CNc2c[nH+]ccc2-n2cccn2)cc1 ZINC001657019577 1196093875 /nfs/dbraw/zinc/09/38/75/1196093875.db2.gz KKUZLNBJDRZBIF-HYXAFXHYSA-N 1 0 319.412 3.459 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)CCC(=O)OC(C)(C)C)cc1 ZINC001657220903 1196119676 /nfs/dbraw/zinc/11/96/76/1196119676.db2.gz PQTILBDWPDFYBM-BQYQJAHWSA-N 1 0 318.461 3.429 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H](O)c2ccsc2)ccc1OC ZINC001657263532 1196124807 /nfs/dbraw/zinc/12/48/07/1196124807.db2.gz DNGPNPVXPIAXAE-INIZCTEOSA-N 1 0 321.442 3.116 20 10 DGCDRO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC001657277229 1196126157 /nfs/dbraw/zinc/12/61/57/1196126157.db2.gz TXJJUFIJPDTSQZ-DOTOQJQBSA-N 1 0 317.429 3.336 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1C ZINC001657510204 1196149528 /nfs/dbraw/zinc/14/95/28/1196149528.db2.gz YDHBFDRDBDZGGW-YJBOKZPZSA-N 1 0 302.462 3.356 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1C ZINC001657510203 1196149534 /nfs/dbraw/zinc/14/95/34/1196149534.db2.gz YDHBFDRDBDZGGW-QAPCUYQASA-N 1 0 302.462 3.356 20 10 DGCDRO CCOC(=O)C1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001657572734 1196156605 /nfs/dbraw/zinc/15/66/05/1196156605.db2.gz DNDXUFRFRMVYNA-UHFFFAOYSA-N 1 0 305.418 3.291 20 10 DGCDRO COc1ccc(C[NH2+]C2(C(=O)NCC(C)C)CCCC2)cc1C ZINC001657654107 1196166733 /nfs/dbraw/zinc/16/67/33/1196166733.db2.gz PEBSPQGHUAKYDP-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1cc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844198 1196183554 /nfs/dbraw/zinc/18/35/54/1196183554.db2.gz SSTBHPOEJRUJTD-KGLIPLIRSA-N 1 0 320.477 3.223 20 10 DGCDRO COc1cc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844200 1196184589 /nfs/dbraw/zinc/18/45/89/1196184589.db2.gz SSTBHPOEJRUJTD-ZIAGYGMSSA-N 1 0 320.477 3.223 20 10 DGCDRO OC[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)C[C@@H]1c1ccccc1 ZINC001658050065 1196206230 /nfs/dbraw/zinc/20/62/30/1196206230.db2.gz QVABWHXZHUCJBA-CTNGQTDRSA-N 1 0 323.436 3.267 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(c3nncn3C)CC2)c1 ZINC001658224239 1196227912 /nfs/dbraw/zinc/22/79/12/1196227912.db2.gz SFZLDLDVESCWNO-UHFFFAOYSA-N 1 0 314.433 3.024 20 10 DGCDRO CC[C@@H](C)[C@@H](C[N@H+](C)CCN(C)c1ccc(OC)cc1)OC ZINC001658486674 1196263845 /nfs/dbraw/zinc/26/38/45/1196263845.db2.gz GWOUXSJNIAYQQS-CRAIPNDOSA-N 1 0 308.466 3.124 20 10 DGCDRO CCc1cccc(CN(CCC[NH3+])c2cccc(F)c2)c1O ZINC001658582391 1196276497 /nfs/dbraw/zinc/27/64/97/1196276497.db2.gz QIPYJJSTZVREHX-UHFFFAOYSA-N 1 0 302.393 3.449 20 10 DGCDRO COC(=O)c1c(C[NH2+]CC2=CCCC2)c2cc(F)ccc2n1C ZINC001658591962 1196278042 /nfs/dbraw/zinc/27/80/42/1196278042.db2.gz PPPNHLNSAHKKCX-UHFFFAOYSA-N 1 0 316.376 3.304 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Cl)cc1O ZINC001658953268 1196325143 /nfs/dbraw/zinc/32/51/43/1196325143.db2.gz CMXPOQZOOJUGPX-SNVBAGLBSA-N 1 0 314.813 3.048 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001658968267 1196325852 /nfs/dbraw/zinc/32/58/52/1196325852.db2.gz QXRAGIWDAAUXAR-ZDUSSCGKSA-N 1 0 311.809 3.272 20 10 DGCDRO CCOC(=O)[C@H]1CCCCN1Cc1cc(C(C)C)ccc1O ZINC001659002670 1196330881 /nfs/dbraw/zinc/33/08/81/1196330881.db2.gz LXZQZWWUXGICPU-MRXNPFEDSA-N 1 0 305.418 3.433 20 10 DGCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(Cl)cc2O)oc1C ZINC001659285203 1196367609 /nfs/dbraw/zinc/36/76/09/1196367609.db2.gz XHPRIGGBJMBNMB-UHFFFAOYSA-N 1 0 323.776 3.366 20 10 DGCDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC001659652435 1196402509 /nfs/dbraw/zinc/40/25/09/1196402509.db2.gz FKXZVSJRVQIJLZ-OCCSQVGLSA-N 1 0 314.223 3.120 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccn3C(F)F)C2)cc1 ZINC001659645730 1196402867 /nfs/dbraw/zinc/40/28/67/1196402867.db2.gz HKWCCUYOTQPCJN-ZDUSSCGKSA-N 1 0 321.371 3.260 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(C(=O)OC(C)(C)C)C2)c1 ZINC001659719703 1196409210 /nfs/dbraw/zinc/40/92/10/1196409210.db2.gz PJGVYTQBYSDZEK-HIFPTAJRSA-N 1 0 321.417 3.172 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCCCCCNC(=O)CC2)cc1Cl ZINC001659812993 1196416595 /nfs/dbraw/zinc/41/65/95/1196416595.db2.gz FSUBRANBDYSDBS-UHFFFAOYSA-N 1 0 324.852 3.236 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c(O)c1 ZINC001659976951 1196433923 /nfs/dbraw/zinc/43/39/23/1196433923.db2.gz ISMHFRGISBFJTN-ZDUSSCGKSA-N 1 0 313.397 3.322 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)OC)C2)cc1C ZINC001659988521 1196435518 /nfs/dbraw/zinc/43/55/18/1196435518.db2.gz UEGBYVXAYDWACC-CVEARBPZSA-N 1 0 305.418 3.215 20 10 DGCDRO CN(C)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCCC1 ZINC001660752357 1196519046 /nfs/dbraw/zinc/51/90/46/1196519046.db2.gz OSRWSEQLETUELQ-UHFFFAOYSA-N 1 0 302.462 3.366 20 10 DGCDRO CC[C@@H]1CCCC[N@@H+]1CCNCc1ccc(N(C)C)c(F)c1 ZINC001661391965 1196600648 /nfs/dbraw/zinc/60/06/48/1196600648.db2.gz XGSWVLOQOGEYQT-MRXNPFEDSA-N 1 0 307.457 3.246 20 10 DGCDRO C[NH+](C)CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)(C)C ZINC001661416116 1196603208 /nfs/dbraw/zinc/60/32/08/1196603208.db2.gz JPRFEHIPHRTDQC-CQSZACIVSA-N 1 0 300.393 3.126 20 10 DGCDRO CCC(CC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001661568758 1196620132 /nfs/dbraw/zinc/62/01/32/1196620132.db2.gz HCZQRBYSJWBUPY-CALCHBBNSA-N 1 0 318.461 3.177 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC2(CO)CCCCC2)cc1F ZINC001661651703 1196628143 /nfs/dbraw/zinc/62/81/43/1196628143.db2.gz IDLXFOHRNXPCJQ-UHFFFAOYSA-N 1 0 312.404 3.063 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC001663420244 1196864091 /nfs/dbraw/zinc/86/40/91/1196864091.db2.gz XQTRSHWCHLKHNB-CVEARBPZSA-N 1 0 317.429 3.222 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)[C@H](C)C(=O)OCC)cc1C ZINC001664213713 1196981179 /nfs/dbraw/zinc/98/11/79/1196981179.db2.gz UBLBCNIOZZPYGS-LSDHHAIUSA-N 1 0 307.434 3.461 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)CCC(C)(C)C)c1O ZINC001664465972 1197003189 /nfs/dbraw/zinc/00/31/89/1197003189.db2.gz WQXYHSOJCOEWOF-ZDUSSCGKSA-N 1 0 315.841 3.331 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H](C)C(C)C)cc1C ZINC001669069325 1197439812 /nfs/dbraw/zinc/43/98/12/1197439812.db2.gz GGMGTJQVRHCYRD-FYCOFBDGSA-N 1 0 318.461 3.058 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1C ZINC000105368385 1199537827 /nfs/dbraw/zinc/53/78/27/1199537827.db2.gz WGAXCKVUMYJQJM-IBGZPJMESA-N 1 0 310.441 3.368 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC2CCC2)cc1C ZINC001753954995 1200048217 /nfs/dbraw/zinc/04/82/17/1200048217.db2.gz RQQJNCNAZDBTDK-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC2(C)CC2)cc1C ZINC001698835877 1201487898 /nfs/dbraw/zinc/48/78/98/1201487898.db2.gz CAQHHFLXHUBXPX-HNNXBMFYSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)/C=C/C(C)(C)C)cc1C ZINC001753176106 1202180854 /nfs/dbraw/zinc/18/08/54/1202180854.db2.gz FAUUTLSMOZQWGZ-MDZDMXLPSA-N 1 0 318.461 3.154 20 10 DGCDRO CC[C@H](CNC(=O)[C@@H]1C[C@H]1CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753485724 1202271963 /nfs/dbraw/zinc/27/19/63/1202271963.db2.gz ALYACVRJEMAPEW-BRWVUGGUSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@H](CNC(=O)C1=CCCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715052281 1203255885 /nfs/dbraw/zinc/25/58/85/1203255885.db2.gz OBDLSZDRVJOACL-QGZVFWFLSA-N 1 0 316.445 3.098 20 10 DGCDRO CCC(C)(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715931559 1203405994 /nfs/dbraw/zinc/40/59/94/1203405994.db2.gz XLMNGMVGJAZPLT-OAHLLOKOSA-N 1 0 320.477 3.424 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C=C2CCC2)cc1C ZINC001716131422 1203442383 /nfs/dbraw/zinc/44/23/83/1203442383.db2.gz OPLDJRJOVMMHJK-HNNXBMFYSA-N 1 0 316.445 3.098 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(C)CCC2)cc1C ZINC001725506126 1204161012 /nfs/dbraw/zinc/16/10/12/1204161012.db2.gz PXWSMKXZNVFVBO-HNNXBMFYSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(O)ccc(Cl)c1Cl ZINC001237080555 1099959760 /nfs/dbraw/zinc/95/97/60/1099959760.db2.gz UCUBMCNXWPENPE-VHSXEESVSA-N 1 0 303.233 3.223 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC001169462938 1081572911 /nfs/dbraw/zinc/57/29/11/1081572911.db2.gz SDDPUFJCDPKSKK-UWWQBHOKSA-N 1 0 318.461 3.383 20 10 DGCDRO CCOC(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000691428619 1081650400 /nfs/dbraw/zinc/65/04/00/1081650400.db2.gz MTLFHGFZIPTFRO-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCC[C@]1(O)C(F)(F)F ZINC001140057865 1081777204 /nfs/dbraw/zinc/77/72/04/1081777204.db2.gz QMYMYQPAPHICBX-IINYFYTJSA-N 1 0 321.314 3.057 20 10 DGCDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000693063020 1081875318 /nfs/dbraw/zinc/87/53/18/1081875318.db2.gz BQFVNIJFIQMUCD-LLVKDONJSA-N 1 0 314.223 3.059 20 10 DGCDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691489104 1081924917 /nfs/dbraw/zinc/92/49/17/1081924917.db2.gz PSSWIIHDMKGBHT-CQSZACIVSA-N 1 0 316.239 3.041 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000691522009 1081959026 /nfs/dbraw/zinc/95/90/26/1081959026.db2.gz JOVAIUAMLONVQO-QWHCGFSZSA-N 1 0 322.449 3.346 20 10 DGCDRO CNc1ccccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167437616 1082123759 /nfs/dbraw/zinc/12/37/59/1082123759.db2.gz VRCLDCTUXAGGGR-UHFFFAOYSA-N 1 0 310.445 3.092 20 10 DGCDRO CCc1nnc(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)o1 ZINC001140342222 1082145243 /nfs/dbraw/zinc/14/52/43/1082145243.db2.gz YIFQQNOSLMYZLZ-UHFFFAOYSA-N 1 0 321.808 3.371 20 10 DGCDRO COCC[N@H+](Cc1c(O)cccc1Br)C(C)C ZINC000707166516 1082217958 /nfs/dbraw/zinc/21/79/58/1082217958.db2.gz QUBCYWODLDICIJ-UHFFFAOYSA-N 1 0 302.212 3.012 20 10 DGCDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C1(C)C ZINC001170386299 1082357903 /nfs/dbraw/zinc/35/79/03/1082357903.db2.gz NDGBCNBLAOQZRF-YOEHRIQHSA-N 1 0 309.381 3.027 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC2(C)C)cc1C ZINC001266963875 1082382397 /nfs/dbraw/zinc/38/23/97/1082382397.db2.gz IQLKNRNJYOWFPH-GDBMZVCRSA-N 1 0 318.461 3.034 20 10 DGCDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001648914653 1082420240 /nfs/dbraw/zinc/42/02/40/1082420240.db2.gz WZVXPLKZHCFKQL-GNLKBHMISA-N 1 0 315.505 3.476 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)ccc1N(C)C ZINC001170442888 1082455416 /nfs/dbraw/zinc/45/54/16/1082455416.db2.gz LCUDJMSVZWHMDE-HKUYNNGSSA-N 1 0 306.494 3.440 20 10 DGCDRO CCC(CC)[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130573777 1082594984 /nfs/dbraw/zinc/59/49/84/1082594984.db2.gz ZBYDMYLGOZLJEM-OAHLLOKOSA-N 1 0 320.477 3.282 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(C)C)cc1C ZINC001133591356 1083159050 /nfs/dbraw/zinc/15/90/50/1083159050.db2.gz VQVISDJWQAWAKI-JKSUJKDBSA-N 1 0 320.477 3.423 20 10 DGCDRO C/C=C(\C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001134051648 1083232916 /nfs/dbraw/zinc/23/29/16/1083232916.db2.gz NFQZXFVMARTHGU-NVSXCDJOSA-N 1 0 318.461 3.343 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001137532073 1083255980 /nfs/dbraw/zinc/25/59/80/1083255980.db2.gz JJWZVGBBJPDAJO-UHFFFAOYSA-N 1 0 311.429 3.322 20 10 DGCDRO CC[C@H](CNC(=O)C(C)(C)CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267815858 1083369682 /nfs/dbraw/zinc/36/96/82/1083369682.db2.gz AHBRIZGWMAQBEN-MRXNPFEDSA-N 1 0 320.477 3.424 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)c1 ZINC001182128267 1083624586 /nfs/dbraw/zinc/62/45/86/1083624586.db2.gz SQSJAYAVJSQCPU-QZTJIDSGSA-N 1 0 317.429 3.243 20 10 DGCDRO C[NH+](C)[C@H]1C[C@@H](C(=O)N(Cc2ccccc2)c2ccc(N)cc2)C1 ZINC001183374101 1083940065 /nfs/dbraw/zinc/94/00/65/1083940065.db2.gz CZPBIOKQWKIZED-UWUNEBHHSA-N 1 0 323.440 3.142 20 10 DGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001203635966 1084630786 /nfs/dbraw/zinc/63/07/86/1084630786.db2.gz LIBCEFHRULRLNV-GFCCVEGCSA-N 1 0 302.187 3.479 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001203658111 1084783089 /nfs/dbraw/zinc/78/30/89/1084783089.db2.gz QZUUELFAWFSCHU-UHFFFAOYSA-N 1 0 318.804 3.484 20 10 DGCDRO CC/C=C(\C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482081273 1084828182 /nfs/dbraw/zinc/82/81/82/1084828182.db2.gz BQEWIEAFYBGVSV-LSRDKYIXSA-N 1 0 318.461 3.202 20 10 DGCDRO CCC[C@@H](C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268638958 1084907759 /nfs/dbraw/zinc/90/77/59/1084907759.db2.gz AVYODEHRALWTSF-UKRRQHHQSA-N 1 0 306.450 3.034 20 10 DGCDRO CCCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001270672978 1085941413 /nfs/dbraw/zinc/94/14/13/1085941413.db2.gz UMOILKYYSCWHFV-IBGZPJMESA-N 1 0 318.461 3.132 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3nccnc3c2)cc1F ZINC001648966091 1086491749 /nfs/dbraw/zinc/49/17/49/1086491749.db2.gz YFCBDUJGADHZIF-UHFFFAOYSA-N 1 0 310.376 3.125 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](C)(CO)C2)cc1F ZINC000093340751 1087087862 /nfs/dbraw/zinc/08/78/62/1087087862.db2.gz UOHSCFNUHNTPIU-SFHVURJKSA-N 1 0 308.441 3.266 20 10 DGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)CC(C)(C)C)cc1C ZINC001483451385 1087507570 /nfs/dbraw/zinc/50/75/70/1087507570.db2.gz DTZWYNZTIUOPEJ-UHFFFAOYSA-N 1 0 320.477 3.378 20 10 DGCDRO C[C@H](c1ccsc1)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001120370861 1087573099 /nfs/dbraw/zinc/57/30/99/1087573099.db2.gz HSGIEYOBHUFMJZ-CQSZACIVSA-N 1 0 301.459 3.209 20 10 DGCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C\C(C)(C)C)[NH+](C)C)cc1 ZINC001158718424 1087987729 /nfs/dbraw/zinc/98/77/29/1087987729.db2.gz XRRZHGJDXWOLKH-MUSGIIIZSA-N 1 0 317.477 3.074 20 10 DGCDRO CN(c1ccc2c(c1)CC[NH2+]C2)c1ncc(C(F)(F)F)cc1N ZINC001159204089 1088233084 /nfs/dbraw/zinc/23/30/84/1088233084.db2.gz QFJZQOMBQWWDJP-UHFFFAOYSA-N 1 0 322.334 3.096 20 10 DGCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)ccc2O)C1=O ZINC001272623264 1088330357 /nfs/dbraw/zinc/33/03/57/1088330357.db2.gz YOBZNSMGWOKPCG-BEFAXECRSA-N 1 0 316.445 3.066 20 10 DGCDRO c1cc(Nc2ccc3c(c2)CCCN3)ccc1CN1CC[NH2+]CC1 ZINC001159567996 1088398514 /nfs/dbraw/zinc/39/85/14/1088398514.db2.gz XHRGQCGQGBNRMJ-UHFFFAOYSA-N 1 0 322.456 3.194 20 10 DGCDRO [NH3+][C@@H]1CCN(c2ccccc2Nc2ccc3c(c2)CCCN3)C1 ZINC001160041228 1088613662 /nfs/dbraw/zinc/61/36/62/1088613662.db2.gz XMWHWQPZNALOGY-OAHLLOKOSA-N 1 0 308.429 3.326 20 10 DGCDRO Nc1ccc(Nc2cccc(F)c2OC2CC[NH2+]CC2)cc1 ZINC001160174514 1088686560 /nfs/dbraw/zinc/68/65/60/1088686560.db2.gz YKBHLOGOFOPRNY-UHFFFAOYSA-N 1 0 301.365 3.282 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])CC1CCCC1 ZINC001161134506 1089130248 /nfs/dbraw/zinc/13/02/48/1089130248.db2.gz AMNYWDCDIVEBLH-SFHVURJKSA-N 1 0 317.477 3.009 20 10 DGCDRO CN(C)c1ccc(CN(C)c2ccc(C[N@H+](C)C3CC3)cn2)cc1 ZINC001156921108 1089745801 /nfs/dbraw/zinc/74/58/01/1089745801.db2.gz SRGFFWLTJUOIQF-UHFFFAOYSA-N 1 0 324.472 3.378 20 10 DGCDRO O=C(NCc1c(O)ccc2ccccc21)C1CC[NH+](C2CC2)CC1 ZINC001157041576 1089796217 /nfs/dbraw/zinc/79/62/17/1089796217.db2.gz JRXQLGHJDCLOHY-UHFFFAOYSA-N 1 0 324.424 3.036 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2CCCC2)cc1C ZINC001484986307 1089804757 /nfs/dbraw/zinc/80/47/57/1089804757.db2.gz KDBLQVNNMQAPOI-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@@H](C)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001157147187 1089843189 /nfs/dbraw/zinc/84/31/89/1089843189.db2.gz GVSDMHJPPVSPOO-CQSZACIVSA-N 1 0 306.450 3.036 20 10 DGCDRO CC[N@H+](Cc1ccc(CC(=O)OC)cc1)Cc1ccccc1O ZINC001142910946 1090522633 /nfs/dbraw/zinc/52/26/33/1090522633.db2.gz UURFYCTZXAVJRE-UHFFFAOYSA-N 1 0 313.397 3.130 20 10 DGCDRO CC(C)(C)OC(=O)CC1CC[NH+](Cc2ccccc2O)CC1 ZINC001203558682 1090616079 /nfs/dbraw/zinc/61/60/79/1090616079.db2.gz VFQJCEYQUNJQLO-UHFFFAOYSA-N 1 0 305.418 3.336 20 10 DGCDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccccc1O)C2 ZINC001203558683 1090616387 /nfs/dbraw/zinc/61/63/87/1090616387.db2.gz VHEOUICXFYXQHN-OAHLLOKOSA-N 1 0 313.397 3.181 20 10 DGCDRO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1O ZINC001203547547 1090753296 /nfs/dbraw/zinc/75/32/96/1090753296.db2.gz PWLBJPSASOTRLU-OAHLLOKOSA-N 1 0 314.404 3.238 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC3(CCCOC3)CC2)c1O ZINC001203615727 1090767103 /nfs/dbraw/zinc/76/71/03/1090767103.db2.gz ZKECEPCHNRSQJA-UHFFFAOYSA-N 1 0 305.418 3.184 20 10 DGCDRO COc1ccc(CN2CC[NH+](C3CCC(C)CC3)CC2)c(O)c1 ZINC001203629431 1090769062 /nfs/dbraw/zinc/76/90/62/1090769062.db2.gz KANVAPOCEVBJAE-UHFFFAOYSA-N 1 0 318.461 3.097 20 10 DGCDRO COc1ccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)c(O)c1 ZINC001203634531 1090770135 /nfs/dbraw/zinc/77/01/35/1090770135.db2.gz KOSSUPUWHMYWKA-KRWDZBQOSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1cnccc1O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665433 1090776218 /nfs/dbraw/zinc/77/62/18/1090776218.db2.gz JUDSMXOIPDYIMC-OAHLLOKOSA-N 1 0 318.804 3.402 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC3(CCC(=O)CC3)CC2)c1 ZINC001203681050 1090778931 /nfs/dbraw/zinc/77/89/31/1090778931.db2.gz MWNBUNNONJXASE-UHFFFAOYSA-N 1 0 303.402 3.126 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c1 ZINC001203680059 1090779254 /nfs/dbraw/zinc/77/92/54/1090779254.db2.gz BFOWVCPBGJMMKI-CQSZACIVSA-N 1 0 321.417 3.097 20 10 DGCDRO COC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@H]1CCCOC1 ZINC001203706595 1090785346 /nfs/dbraw/zinc/78/53/46/1090785346.db2.gz OEVYVCCZWMPIGH-DOTOQJQBSA-N 1 0 316.445 3.018 20 10 DGCDRO OC[C@H](CCc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001203720817 1090789788 /nfs/dbraw/zinc/78/97/88/1090789788.db2.gz AZJHDVWMYGUGDE-IBGZPJMESA-N 1 0 311.425 3.095 20 10 DGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H](Sc3ccncc3)C2)cc1O ZINC001203882788 1090826589 /nfs/dbraw/zinc/82/65/89/1090826589.db2.gz VMGJCESDWYLFGV-OAHLLOKOSA-N 1 0 316.426 3.250 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)cc1 ZINC001203930707 1090841042 /nfs/dbraw/zinc/84/10/42/1090841042.db2.gz FCYWKHQQHBNSLP-OAHLLOKOSA-N 1 0 316.367 3.032 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC001203930490 1090841196 /nfs/dbraw/zinc/84/11/96/1090841196.db2.gz VPPINWNBJDVLAI-UHFFFAOYSA-N 1 0 309.457 3.383 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC001203936367 1090843627 /nfs/dbraw/zinc/84/36/27/1090843627.db2.gz MKOSRYAEVZXGOI-NVXWUHKLSA-N 1 0 318.461 3.164 20 10 DGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937638 1090844018 /nfs/dbraw/zinc/84/40/18/1090844018.db2.gz IIQADHNSDNHZGY-OAHLLOKOSA-N 1 0 314.433 3.078 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC)CCn2ccnc2)cc1 ZINC001203945467 1090847241 /nfs/dbraw/zinc/84/72/41/1090847241.db2.gz MPIVSOJKKUHVAH-UHFFFAOYSA-N 1 0 300.450 3.251 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@@H]([N@H+](C)C(C)C)C2)cc1 ZINC001203946823 1090847846 /nfs/dbraw/zinc/84/78/46/1090847846.db2.gz XPIUZTOHAKZUHW-LJQANCHMSA-N 1 0 303.494 3.447 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2CCC[C@@H](N(C)C)C2)c2ccccc21 ZINC001204240744 1090932352 /nfs/dbraw/zinc/93/23/52/1090932352.db2.gz CNRYQDYZZBHANE-QGZVFWFLSA-N 1 0 311.473 3.432 20 10 DGCDRO Cc1ccccc1OC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204272035 1090937297 /nfs/dbraw/zinc/93/72/97/1090937297.db2.gz IBCKRJKCDPTPRG-UHFFFAOYSA-N 1 0 313.397 3.450 20 10 DGCDRO COc1ccc(C2=CC[N@H+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204277789 1090938130 /nfs/dbraw/zinc/93/81/30/1090938130.db2.gz LZADYDATUROMJE-UHFFFAOYSA-N 1 0 311.381 3.396 20 10 DGCDRO Oc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c(O)c1 ZINC001204275217 1090938314 /nfs/dbraw/zinc/93/83/14/1090938314.db2.gz ZMIUVFFHGKMYTR-DKSSEZFCSA-N 1 0 317.429 3.125 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001204327420 1090949114 /nfs/dbraw/zinc/94/91/14/1090949114.db2.gz SSQUBAIIPAQOKB-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC001204327378 1090949308 /nfs/dbraw/zinc/94/93/08/1090949308.db2.gz RPFOWQZPPNNUSB-FQEVSTJZSA-N 1 0 313.489 3.347 20 10 DGCDRO CCCC[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204326931 1090949380 /nfs/dbraw/zinc/94/93/80/1090949380.db2.gz IYTHTJQUROLNIL-UHFFFAOYSA-N 1 0 301.478 3.205 20 10 DGCDRO COc1cc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)cc(O)c1O ZINC001204346526 1090953000 /nfs/dbraw/zinc/95/30/00/1090953000.db2.gz TYFSLVQHRFRYMM-ZDUSSCGKSA-N 1 0 309.381 3.211 20 10 DGCDRO 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[NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205578513 1091264806 /nfs/dbraw/zinc/26/48/06/1091264806.db2.gz DQLAGXXWCYPYRM-CQSZACIVSA-N 1 0 321.223 3.352 20 10 DGCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817851 1091364124 /nfs/dbraw/zinc/36/41/24/1091364124.db2.gz RPXRHJOUSMIICY-QFBILLFUSA-N 1 0 301.478 3.236 20 10 DGCDRO CCN(CC)c1ccc(CN2C[C@H](C)CC[C@@H]2C[NH3+])c(OC)c1 ZINC001205817752 1091365022 /nfs/dbraw/zinc/36/50/22/1091365022.db2.gz QVTJELFZFYCFNG-CRAIPNDOSA-N 1 0 319.493 3.101 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@@H]([NH3+])[C@H](F)C2)cc1Cl ZINC001205896130 1091398512 /nfs/dbraw/zinc/39/85/12/1091398512.db2.gz WLIFCSQEIHOIDD-ZIAGYGMSSA-N 1 0 314.832 3.214 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206163893 1091516320 /nfs/dbraw/zinc/51/63/20/1091516320.db2.gz HGGDAETVBFKNTR-OALUTQOASA-N 1 0 315.436 3.355 20 10 DGCDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]21 ZINC001139671951 1091637905 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Oc1ccc(F)cc1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001140055561 1091751742 /nfs/dbraw/zinc/75/17/42/1091751742.db2.gz KZPJAHSGCALSSA-KRWDZBQOSA-N 1 0 301.361 3.322 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001140055125 1091751830 /nfs/dbraw/zinc/75/18/30/1091751830.db2.gz JZZOXBNAHTYQIC-KRWDZBQOSA-N 1 0 301.361 3.322 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001140055689 1091751997 /nfs/dbraw/zinc/75/19/97/1091751997.db2.gz PLGFIPCBEBKKSV-CQSZACIVSA-N 1 0 323.314 3.463 20 10 DGCDRO C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cc(F)ccc1O ZINC001140060448 1091753601 /nfs/dbraw/zinc/75/36/01/1091753601.db2.gz WIRXYMFTQKOPTI-UHFFFAOYSA-N 1 0 311.360 3.349 20 10 DGCDRO CC(C)(C)CC(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060417 1091754253 /nfs/dbraw/zinc/75/42/53/1091754253.db2.gz VGGQFKWGNALSSW-UHFFFAOYSA-N 1 0 322.424 3.048 20 10 DGCDRO CC1(F)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001140098954 1091766580 /nfs/dbraw/zinc/76/65/80/1091766580.db2.gz UXSPVPRWZIGWCM-UHFFFAOYSA-N 1 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Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)c1 ZINC001140624387 1091936571 /nfs/dbraw/zinc/93/65/71/1091936571.db2.gz UVSQMVNFWLDOPG-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C[C@H]1CC1(C)C ZINC001140664128 1091952436 /nfs/dbraw/zinc/95/24/36/1091952436.db2.gz ZMRRZUCNMKAPAJ-OAHLLOKOSA-N 1 0 306.425 3.140 20 10 DGCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140664170 1091952513 /nfs/dbraw/zinc/95/25/13/1091952513.db2.gz ACNYRUFEWQIZCM-SFHVURJKSA-N 1 0 306.425 3.283 20 10 DGCDRO Cc1c(O)ccc(CN2CC[N@H+](C3CCCCC3)[C@@H](C)C2)c1O ZINC001140751452 1091984800 /nfs/dbraw/zinc/98/48/00/1091984800.db2.gz WZXUXJUIQCXMNR-AWEZNQCLSA-N 1 0 318.461 3.245 20 10 DGCDRO Cc1c(O)ccc(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)c1O ZINC001140751259 1091985447 /nfs/dbraw/zinc/98/54/47/1091985447.db2.gz PACUNDBQEQVUFA-ZDUSSCGKSA-N 1 0 303.402 3.130 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(O)c(C)c2O)c(OC)c1 ZINC001140749211 1091986066 /nfs/dbraw/zinc/98/60/66/1091986066.db2.gz ROKVWBDWUREPCK-UHFFFAOYSA-N 1 0 317.385 3.055 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001140851002 1092028860 /nfs/dbraw/zinc/02/88/60/1092028860.db2.gz XYNSKLIFCXFSRF-OAHLLOKOSA-N 1 0 316.367 3.418 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001140850663 1092029603 /nfs/dbraw/zinc/02/96/03/1092029603.db2.gz PVWVSAQEHIDKIA-KXBFYZLASA-N 1 0 320.477 3.221 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCc2ccncc2)c(O)c1 ZINC001140855253 1092031276 /nfs/dbraw/zinc/03/12/76/1092031276.db2.gz UJNVWTSHBJUAOK-UHFFFAOYSA-N 1 0 313.445 3.308 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(Cl)c1 ZINC001140924325 1092065004 /nfs/dbraw/zinc/06/50/04/1092065004.db2.gz DYNCBTTZXDYOTK-ULAZLLGUSA-N 1 0 306.837 3.015 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC001140924391 1092065332 /nfs/dbraw/zinc/06/53/32/1092065332.db2.gz IDKSAFGKYNPKQE-QGZVFWFLSA-N 1 0 321.896 3.466 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c(Cl)c1 ZINC001140922562 1092065460 /nfs/dbraw/zinc/06/54/60/1092065460.db2.gz UOLJEWRIUQTOIZ-HNNXBMFYSA-N 1 0 322.880 3.391 20 10 DGCDRO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140950729 1092076492 /nfs/dbraw/zinc/07/64/92/1092076492.db2.gz FWHABCBHPAXCHS-OAHLLOKOSA-N 1 0 320.433 3.142 20 10 DGCDRO Cc1cnc2n1CCC21CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140952613 1092077492 /nfs/dbraw/zinc/07/74/92/1092077492.db2.gz ZIEFFKNYPUKZIR-UHFFFAOYSA-N 1 0 311.429 3.143 20 10 DGCDRO Cc1ccc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001140953501 1092078402 /nfs/dbraw/zinc/07/84/02/1092078402.db2.gz BUVVZELNPLFOFW-IRXDYDNUSA-N 1 0 306.425 3.099 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001140954784 1092079664 /nfs/dbraw/zinc/07/96/64/1092079664.db2.gz ZAGRDKZEIYDHEF-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1ccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140953588 1092080011 /nfs/dbraw/zinc/08/00/11/1092080011.db2.gz CLLXAMKYTJIRFB-QZTJIDSGSA-N 1 0 308.425 3.269 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C[C@H]1C ZINC001140953868 1092080779 /nfs/dbraw/zinc/08/07/79/1092080779.db2.gz ICFYVMDOFGSPRP-HUUCEWRRSA-N 1 0 305.418 3.112 20 10 DGCDRO COC[C@H]1CCCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074356 1092128662 /nfs/dbraw/zinc/12/86/62/1092128662.db2.gz GBFMCBXIIYSOFL-LJQANCHMSA-N 1 0 314.473 3.386 20 10 DGCDRO C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)Cc1ccccn1 ZINC001141074677 1092129947 /nfs/dbraw/zinc/12/99/47/1092129947.db2.gz QOZKANCDPNUIGA-UHFFFAOYSA-N 1 0 307.441 3.412 20 10 DGCDRO Cc1c(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c2ccccc2n1C ZINC001276557125 1092204309 /nfs/dbraw/zinc/20/43/09/1092204309.db2.gz VSMUHPFBMHBPGF-FQEVSTJZSA-N 1 0 311.473 3.404 20 10 DGCDRO CC/C(C)=C/C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001491724857 1092213087 /nfs/dbraw/zinc/21/30/87/1092213087.db2.gz BCRITJFSCBWPOQ-SHRNQRGKSA-N 1 0 316.445 3.050 20 10 DGCDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001168967492 1092470619 /nfs/dbraw/zinc/47/06/19/1092470619.db2.gz QCWLRECBUFMSFF-SJORKVTESA-N 1 0 317.433 3.212 20 10 DGCDRO CC(C)(C)c1cccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1O ZINC001143110592 1092616829 /nfs/dbraw/zinc/61/68/29/1092616829.db2.gz KOPNBNPUKFSEJJ-MRXNPFEDSA-N 1 0 302.462 3.360 20 10 DGCDRO CCOC(=O)[C@H]1CC[C@H](C[N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001209010789 1092622667 /nfs/dbraw/zinc/62/26/67/1092622667.db2.gz IKCHVWQEGOGMRM-KOMQPUFPSA-N 1 0 317.429 3.120 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2scc3c2OCCO3)cc1 ZINC001143191217 1092630960 /nfs/dbraw/zinc/63/09/60/1092630960.db2.gz WZQJWIYTDZOFGZ-UHFFFAOYSA-N 1 0 318.442 3.217 20 10 DGCDRO COC(C[N@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1)OC ZINC001209520281 1092808185 /nfs/dbraw/zinc/80/81/85/1092808185.db2.gz UHMUDHGZIMTLJV-UHFFFAOYSA-N 1 0 302.418 3.145 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)CC(F)(F)F ZINC000402549377 1094032366 /nfs/dbraw/zinc/03/23/66/1094032366.db2.gz DMNBHOSQXLLGEW-SECBINFHSA-N 1 0 305.296 3.189 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2nc(C)cs2)c1 ZINC000185311395 1094236956 /nfs/dbraw/zinc/23/69/56/1094236956.db2.gz URPFUIPWXLJCQG-GFCCVEGCSA-N 1 0 306.431 3.449 20 10 DGCDRO CCC/C(C)=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134882830 1094323298 /nfs/dbraw/zinc/32/32/98/1094323298.db2.gz VICJRMKBWVZKRP-DUVHGLKDSA-N 1 0 317.477 3.218 20 10 DGCDRO CCC(CC)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134882649 1094323537 /nfs/dbraw/zinc/32/35/37/1094323537.db2.gz SPAFQZLCWFRDMH-SFHVURJKSA-N 1 0 319.493 3.298 20 10 DGCDRO O=C1C=CC=CC1=NNc1ccccc1O[C@@H]1C[NH2+]CCOC1 ZINC001218040697 1094573918 /nfs/dbraw/zinc/57/39/18/1094573918.db2.gz AHTVUCVDBYHRLT-ZIPFOMIPSA-N 1 0 313.357 3.175 20 10 DGCDRO C[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1cccc(F)c1 ZINC001218191826 1094651156 /nfs/dbraw/zinc/65/11/56/1094651156.db2.gz ILJGWHGXMAMXCO-CQSZACIVSA-N 1 0 300.377 3.375 20 10 DGCDRO C[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1ccccc1F ZINC001218194708 1094651756 /nfs/dbraw/zinc/65/17/56/1094651756.db2.gz XVLIWDLOTSXOSM-AWEZNQCLSA-N 1 0 300.377 3.375 20 10 DGCDRO CCC[C@@](C)(CC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135859156 1094719832 /nfs/dbraw/zinc/71/98/32/1094719832.db2.gz LTLJLUUBZNRUIN-LJQANCHMSA-N 1 0 320.477 3.426 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC001337218163 1094900928 /nfs/dbraw/zinc/90/09/28/1094900928.db2.gz JJMZSKRZYNZJGG-BETUJISGSA-N 1 0 307.459 3.190 20 10 DGCDRO Oc1cccc(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)c1O ZINC001170908154 1094909389 /nfs/dbraw/zinc/90/93/89/1094909389.db2.gz MNSTWHVAZUSHTK-CYBMUJFWSA-N 1 0 303.789 3.398 20 10 DGCDRO Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]([NH3+])CC2CCC2)cc1 ZINC001218955766 1094913081 /nfs/dbraw/zinc/91/30/81/1094913081.db2.gz PERHCQFHRAPMNF-IBGZPJMESA-N 1 0 323.440 3.320 20 10 DGCDRO Nc1ccc(N(Cc2ccccc2)C(=O)C=C2CC[NH2+]CC2)cc1 ZINC001218955385 1094914377 /nfs/dbraw/zinc/91/43/77/1094914377.db2.gz KDWCMPFRSTZVQY-UHFFFAOYSA-N 1 0 321.424 3.112 20 10 DGCDRO CN1CCCc2cc(CN3CC[NH2+]C[C@@H]3c3ccccc3)ccc21 ZINC000313408152 1095010330 /nfs/dbraw/zinc/01/03/30/1095010330.db2.gz ZCDIBXXDDJVUPY-OAQYLSRUSA-N 1 0 321.468 3.216 20 10 DGCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(Br)cc1O ZINC000694062847 1095014145 /nfs/dbraw/zinc/01/41/45/1095014145.db2.gz AUAIXFVWEJXBPL-LLVKDONJSA-N 1 0 321.218 3.271 20 10 DGCDRO Nc1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC001337834660 1095111514 /nfs/dbraw/zinc/11/15/14/1095111514.db2.gz UMYVEDLQPBJTED-UHFFFAOYSA-N 1 0 310.441 3.493 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1O ZINC000315868145 1095139720 /nfs/dbraw/zinc/13/97/20/1095139720.db2.gz NAJRFSGWANYCKT-CYBMUJFWSA-N 1 0 304.434 3.080 20 10 DGCDRO CC[N@H+](Cc1ccccc1F)Cc1cc2c(cc1O)OCO2 ZINC001337982041 1095155401 /nfs/dbraw/zinc/15/54/01/1095155401.db2.gz JSYJBJJVTLUPGA-UHFFFAOYSA-N 1 0 303.333 3.282 20 10 DGCDRO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001139678683 1095164466 /nfs/dbraw/zinc/16/44/66/1095164466.db2.gz CQOOYTUIEACYGY-UHFFFAOYSA-N 1 0 307.397 3.215 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1O ZINC001338168681 1095209712 /nfs/dbraw/zinc/20/97/12/1095209712.db2.gz XKUVHHIUROLMKT-KRWDZBQOSA-N 1 0 319.445 3.490 20 10 DGCDRO Oc1c(CN2CCC[C@@]23CCC[NH2+]C3)cccc1C(F)(F)F ZINC001222253201 1095513702 /nfs/dbraw/zinc/51/37/02/1095513702.db2.gz NZPWPMAKVQZEEW-OAHLLOKOSA-N 1 0 314.351 3.129 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)c1cccs1 ZINC001116476055 1095568796 /nfs/dbraw/zinc/56/87/96/1095568796.db2.gz JLQJCBBQICYYHX-SFHVURJKSA-N 1 0 316.470 3.346 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222360495 1095573708 /nfs/dbraw/zinc/57/37/08/1095573708.db2.gz QMEPRGLXPWAAQU-HNNXBMFYSA-N 1 0 315.244 3.417 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@]3(CCCC[NH2+]3)C2)c(Cl)c1 ZINC001222395664 1095592390 /nfs/dbraw/zinc/59/23/90/1095592390.db2.gz MYEDSYRBVVPAEM-QGZVFWFLSA-N 1 0 324.852 3.162 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)CC2=CCCCC2)cc1C ZINC001124830461 1095635505 /nfs/dbraw/zinc/63/55/05/1095635505.db2.gz DDCBPHVPWBKXSH-UHFFFAOYSA-N 1 0 316.445 3.100 20 10 DGCDRO Oc1ccc(Cl)cc1CN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222558489 1095667131 /nfs/dbraw/zinc/66/71/31/1095667131.db2.gz MFMKHVUKDVITIY-IRXDYDNUSA-N 1 0 314.816 3.117 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1c(O)cccc1F ZINC001137837752 1095758295 /nfs/dbraw/zinc/75/82/95/1095758295.db2.gz SZAIAJGOPGGUDC-HNNXBMFYSA-N 1 0 314.404 3.238 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](O)Cc1ccccc1 ZINC001117364204 1095764377 /nfs/dbraw/zinc/76/43/77/1095764377.db2.gz UKZKWOHVOLMPKR-DJIMGWMZSA-N 1 0 311.425 3.442 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CC3(COC)CCC3)CC2)cc1 ZINC001117696823 1095800211 /nfs/dbraw/zinc/80/02/11/1095800211.db2.gz QVNQENIGHMWRAO-UHFFFAOYSA-N 1 0 318.461 3.024 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001138102585 1095879792 /nfs/dbraw/zinc/87/97/92/1095879792.db2.gz SNPAKPFZTYYIMB-UHFFFAOYSA-N 1 0 313.397 3.445 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001118564672 1096036732 /nfs/dbraw/zinc/03/67/32/1096036732.db2.gz DSZSIDZHBUUVPW-LJQANCHMSA-N 1 0 319.468 3.102 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1F ZINC001118858844 1096095137 /nfs/dbraw/zinc/09/51/37/1096095137.db2.gz WZCOMMZUCQKNEL-ZDUSSCGKSA-N 1 0 310.388 3.222 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000129151262 1096459525 /nfs/dbraw/zinc/45/95/25/1096459525.db2.gz BJYYYHBNPXDUSD-DYVFJYSZSA-N 1 0 319.445 3.396 20 10 DGCDRO CC[C@](C)(C(=O)OC)[N@@H+](Cc1ccc(N(C)C)cc1)CC1CC1 ZINC001171371682 1096547552 /nfs/dbraw/zinc/54/75/52/1096547552.db2.gz YQBKVHVPJRTOOB-LJQANCHMSA-N 1 0 318.461 3.306 20 10 DGCDRO Oc1ccccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171504783 1096913943 /nfs/dbraw/zinc/91/39/43/1096913943.db2.gz BBTAFKVZWXYGLN-LBPRGKRZSA-N 1 0 307.315 3.457 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(N(C)C)cc1 ZINC001172112612 1097058639 /nfs/dbraw/zinc/05/86/39/1097058639.db2.gz YFAGQXNMNVMZKP-OYSPMZIOSA-N 1 0 301.478 3.419 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC2(CCC[NH2+]2)CC1 ZINC001228556338 1097141672 /nfs/dbraw/zinc/14/16/72/1097141672.db2.gz OFZADRSWAUDNSX-UHFFFAOYSA-N 1 0 315.244 3.417 20 10 DGCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1O ZINC001172549482 1097176694 /nfs/dbraw/zinc/17/66/94/1097176694.db2.gz RHLRGUWAHOTJJR-IDHHARJASA-N 1 0 313.397 3.057 20 10 DGCDRO COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC001173712692 1097500386 /nfs/dbraw/zinc/50/03/86/1097500386.db2.gz TUNCBKKXAOWRAI-KBPBESRZSA-N 1 0 313.397 3.461 20 10 DGCDRO COc1ccc(Br)c(C[N@H+](C)CC(C)C)c1O ZINC001231548702 1097777187 /nfs/dbraw/zinc/77/71/87/1097777187.db2.gz XQPIZBWIHWHPQJ-UHFFFAOYSA-N 1 0 302.212 3.251 20 10 DGCDRO CCc1noc([C@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC001231592178 1097787299 /nfs/dbraw/zinc/78/72/99/1097787299.db2.gz FRCCBRYKCYOLMI-AWEZNQCLSA-N 1 0 301.390 3.026 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3cccc(C)c3O)CC2)no1 ZINC001231593895 1097787640 /nfs/dbraw/zinc/78/76/40/1097787640.db2.gz NJUCZSPOBZFMMI-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO CC[N@H+](Cc1cccc(OC)c1)Cc1cc(OC)c(O)cc1O ZINC001231637025 1097797352 /nfs/dbraw/zinc/79/73/52/1097797352.db2.gz DAGWBHBNEIDAKK-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO CC[N@H+](Cc1cc(OC)c(O)cc1O)Cc1cccc(F)c1F ZINC001231639300 1097798277 /nfs/dbraw/zinc/79/82/77/1097798277.db2.gz OOYJGQGFQPMWHS-UHFFFAOYSA-N 1 0 323.339 3.407 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC001231843792 1097860256 /nfs/dbraw/zinc/86/02/56/1097860256.db2.gz AORKBNODPFGPJW-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231848542 1097863952 /nfs/dbraw/zinc/86/39/52/1097863952.db2.gz IHRQOYOOLZUZRG-SFHVURJKSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1nnc(C2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)o1 ZINC001231848703 1097864014 /nfs/dbraw/zinc/86/40/14/1097864014.db2.gz JPJISRPKCYUWHU-UHFFFAOYSA-N 1 0 301.390 3.080 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001231854079 1097864619 /nfs/dbraw/zinc/86/46/19/1097864619.db2.gz YNOXLAJMFGHQFQ-MRXNPFEDSA-N 1 0 311.429 3.146 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001231851558 1097864901 /nfs/dbraw/zinc/86/49/01/1097864901.db2.gz JDONBTGWXNCBLB-DOMZBBRYSA-N 1 0 310.388 3.238 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CC3(C2)C[C@@H](F)CS3)cc1Cl ZINC001231870146 1097870131 /nfs/dbraw/zinc/87/01/31/1097870131.db2.gz LOMIWVZRSFQUNL-LLVKDONJSA-N 1 0 301.814 3.383 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@](F)(CO)CC2)cc1Cl ZINC001231866746 1097870145 /nfs/dbraw/zinc/87/01/45/1097870145.db2.gz CUPDEBVGCQSOAQ-HNNXBMFYSA-N 1 0 301.789 3.041 20 10 DGCDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC001231870367 1097871793 /nfs/dbraw/zinc/87/17/93/1097871793.db2.gz WEVKNSPIESJIPJ-BONVTDFDSA-N 1 0 313.825 3.374 20 10 DGCDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1ccc3ccccc3c1O)CC2 ZINC001231880362 1097877507 /nfs/dbraw/zinc/87/75/07/1097877507.db2.gz CNSPILYURINEAX-UHFFFAOYSA-N 1 0 320.392 3.247 20 10 DGCDRO Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)cc[nH+]1 ZINC001231912976 1097890280 /nfs/dbraw/zinc/89/02/80/1097890280.db2.gz BLPDACZITSSCBJ-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO Cc1ccnn1C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231915084 1097891548 /nfs/dbraw/zinc/89/15/48/1097891548.db2.gz YBCCZQIYQPIDTC-UHFFFAOYSA-N 1 0 305.809 3.388 20 10 DGCDRO Cc1cc(Br)cnc1C[N@H+](C)Cc1ccccc1O ZINC001232049830 1097926487 /nfs/dbraw/zinc/92/64/87/1097926487.db2.gz IEYCJVGVGCNSFA-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198260 1097963302 /nfs/dbraw/zinc/96/33/02/1097963302.db2.gz NTCXZOYMRBJCLS-CQSZACIVSA-N 1 0 308.853 3.409 20 10 DGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232264572 1097986910 /nfs/dbraw/zinc/98/69/10/1097986910.db2.gz KPQKZYIOCMPPIL-CYBMUJFWSA-N 1 0 313.825 3.445 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3cccc(O)c3C2)cc1Cl ZINC001232269376 1097987908 /nfs/dbraw/zinc/98/79/08/1097987908.db2.gz XTUORXODQYAMHP-UHFFFAOYSA-N 1 0 319.788 3.318 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c(O)c1 ZINC001206245553 1098008630 /nfs/dbraw/zinc/00/86/30/1098008630.db2.gz WHZGDMWPPQFUIN-OAHLLOKOSA-N 1 0 316.367 3.155 20 10 DGCDRO COC(=O)c1c(C[N@H+](C)CC(C)(C)C)c2ccccc2n1C ZINC001232407198 1098030710 /nfs/dbraw/zinc/03/07/10/1098030710.db2.gz LXLKNDHQYFLQSH-UHFFFAOYSA-N 1 0 302.418 3.443 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c(O)c1 ZINC001232833603 1098147752 /nfs/dbraw/zinc/14/77/52/1098147752.db2.gz BHIPABVNOKGHAU-CQSZACIVSA-N 1 0 302.340 3.027 20 10 DGCDRO Oc1cc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc(O)c1O ZINC001233017591 1098204120 /nfs/dbraw/zinc/20/41/20/1098204120.db2.gz HTIJLXJXSUNQAJ-HNNXBMFYSA-N 1 0 317.360 3.150 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(Cl)ncc2O)cc1 ZINC001233037674 1098210244 /nfs/dbraw/zinc/21/02/44/1098210244.db2.gz GOTRUJGCLBOWQA-UHFFFAOYSA-N 1 0 305.809 3.139 20 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Cc1ncc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2[O-])cn1 ZINC001233418922 1098325049 /nfs/dbraw/zinc/32/50/49/1098325049.db2.gz BRRMXGBDOCSOHT-UHFFFAOYSA-N 1 0 311.307 3.141 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@H]1O ZINC001233451820 1098338382 /nfs/dbraw/zinc/33/83/82/1098338382.db2.gz AIYVSKAIGCGLJG-ZWNOBZJWSA-N 1 0 303.324 3.004 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC[C@H]1O ZINC001233452469 1098338943 /nfs/dbraw/zinc/33/89/43/1098338943.db2.gz XZCMNWRZHWOKSL-GXFFZTMASA-N 1 0 303.324 3.004 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCc2ncsc2C1 ZINC001233454937 1098341148 /nfs/dbraw/zinc/34/11/48/1098341148.db2.gz PCGHDVWBKQPWDY-UHFFFAOYSA-N 1 0 314.332 3.426 20 10 DGCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455668 1098341496 /nfs/dbraw/zinc/34/14/96/1098341496.db2.gz UADKVALQSGGRFU-AWEZNQCLSA-N 1 0 316.367 3.326 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1O ZINC001233484900 1098346278 /nfs/dbraw/zinc/34/62/78/1098346278.db2.gz BNXDDLFGJDARNZ-CQSZACIVSA-N 1 0 303.333 3.280 20 10 DGCDRO CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001233496975 1098352348 /nfs/dbraw/zinc/35/23/48/1098352348.db2.gz KZEBGDLUVCAFPA-CYBMUJFWSA-N 1 0 321.417 3.332 20 10 DGCDRO C[C@@]1(CF)CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233726854 1098416605 /nfs/dbraw/zinc/41/66/05/1098416605.db2.gz IVQMOPIKIQBFAT-ZDUSSCGKSA-N 1 0 307.287 3.472 20 10 DGCDRO CCC(=O)NCCCCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001177686734 1098578652 /nfs/dbraw/zinc/57/86/52/1098578652.db2.gz XEOBUMHGDCYQIS-UHFFFAOYSA-N 1 0 306.450 3.180 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](C)N(C)C[C@H]3C)c2c1 ZINC001234525434 1098580274 /nfs/dbraw/zinc/58/02/74/1098580274.db2.gz HMUYMZFFEPLWNW-UONOGXRCSA-N 1 0 314.429 3.078 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](O)[C@@H](C)CC3)c2c1 ZINC001234525211 1098581749 /nfs/dbraw/zinc/58/17/49/1098581749.db2.gz CQGSGMHXFFFBNH-SCLBCKFNSA-N 1 0 315.413 3.147 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C)[C@@](C)(O)C3)c2c1 ZINC001234526624 1098582322 /nfs/dbraw/zinc/58/23/22/1098582322.db2.gz XFNIJICNYLUGJB-YJYMSZOUSA-N 1 0 315.413 3.147 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCCC34COC4)c2c1 ZINC001234553176 1098596151 /nfs/dbraw/zinc/59/61/51/1098596151.db2.gz YTULDYVJNQTUQI-UHFFFAOYSA-N 1 0 313.397 3.309 20 10 DGCDRO OC[C@H]1C[C@H](F)C[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993259 1098737825 /nfs/dbraw/zinc/73/78/25/1098737825.db2.gz XSZKLZCARJDPFX-YOEHRIQHSA-N 1 0 315.388 3.212 20 10 DGCDRO Oc1c(CN2CC[N@@H+]3CCC[C@H]3C2)cccc1-c1ccccc1 ZINC001234995584 1098737891 /nfs/dbraw/zinc/73/78/91/1098737891.db2.gz NXQYFUSDYRKKDF-SFHVURJKSA-N 1 0 308.425 3.339 20 10 DGCDRO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993254 1098737924 /nfs/dbraw/zinc/73/79/24/1098737924.db2.gz XSZKLZCARJDPFX-RHSMWYFYSA-N 1 0 315.388 3.212 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234993360 1098738111 /nfs/dbraw/zinc/73/81/11/1098738111.db2.gz YUPHPHIAHQDRMV-KRWDZBQOSA-N 1 0 311.381 3.197 20 10 DGCDRO CC1(C(N)=O)CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234996383 1098739005 /nfs/dbraw/zinc/73/90/05/1098739005.db2.gz GXDSASLALBBLCZ-UHFFFAOYSA-N 1 0 324.424 3.147 20 10 DGCDRO CCC(=O)N1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234992870 1098739266 /nfs/dbraw/zinc/73/92/66/1098739266.db2.gz SMWUZEBIPDUXMS-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](O)Cc1ccccc1 ZINC001178249765 1098754274 /nfs/dbraw/zinc/75/42/74/1098754274.db2.gz USCWNQYTZZBDBW-DNVCBOLYSA-N 1 0 311.425 3.093 20 10 DGCDRO Oc1c(CN2CCCC[C@]23CC[NH2+]C3)cccc1C(F)(F)F ZINC001235121742 1098820196 /nfs/dbraw/zinc/82/01/96/1098820196.db2.gz YYQGISHSUYIKQK-OAHLLOKOSA-N 1 0 314.351 3.129 20 10 DGCDRO CCN(CC)c1ccc(CN2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235127059 1098826343 /nfs/dbraw/zinc/82/63/43/1098826343.db2.gz WYNPIQFAPINNBF-LJQANCHMSA-N 1 0 301.478 3.251 20 10 DGCDRO C[C@@](O)(CC[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC001178542357 1098860327 /nfs/dbraw/zinc/86/03/27/1098860327.db2.gz IIZDDTAIJCMAET-HXUWFJFHSA-N 1 0 311.425 3.399 20 10 DGCDRO Oc1c(CN2C[C@H]3CCC[NH2+][C@H]3C2)cccc1-c1ccccc1 ZINC001235219508 1098888796 /nfs/dbraw/zinc/88/87/96/1098888796.db2.gz RJAGHYFGCCCIBD-APWZRJJASA-N 1 0 308.425 3.243 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2CCC(=O)[C@H](F)CC2)c2ccccc21 ZINC001204234006 1098977116 /nfs/dbraw/zinc/97/71/16/1098977116.db2.gz VZSOHEXFRFRXBZ-QGZVFWFLSA-N 1 0 314.404 3.409 20 10 DGCDRO Cc1nc(CC[N@@H+](C)Cc2ccc(C(C)(C)C)cc2O)no1 ZINC001235676318 1099119989 /nfs/dbraw/zinc/11/99/89/1099119989.db2.gz QAGYJZWCDYQATM-UHFFFAOYSA-N 1 0 303.406 3.056 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235853469 1099212162 /nfs/dbraw/zinc/21/21/62/1099212162.db2.gz AQDNIROYIIJJLP-OAHLLOKOSA-N 1 0 320.795 3.331 20 10 DGCDRO O=c1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c[nH]1 ZINC001179849530 1099220058 /nfs/dbraw/zinc/22/00/58/1099220058.db2.gz GLNOBPMNSOBNRT-UHFFFAOYSA-N 1 0 310.353 3.288 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[NH2+]C3(CC3)C2)cc1Cl ZINC001235934738 1099268248 /nfs/dbraw/zinc/26/82/48/1099268248.db2.gz BNQYIDSRGRJBNS-UHFFFAOYSA-N 1 0 308.853 3.281 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1Cl ZINC001235988863 1099312852 /nfs/dbraw/zinc/31/28/52/1099312852.db2.gz ARVLLJYDYHUZSE-PXAZEXFGSA-N 1 0 308.853 3.266 20 10 DGCDRO CCOC(=O)CC[N@@H+](Cc1cccc(CC)c1O)CC1CC1 ZINC001180253433 1099359322 /nfs/dbraw/zinc/35/93/22/1099359322.db2.gz LZGVOUANTRKWIO-UHFFFAOYSA-N 1 0 305.418 3.120 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)c(OC)c1C ZINC001204265294 1099369632 /nfs/dbraw/zinc/36/96/32/1099369632.db2.gz ZTJAVMRPKREIAP-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO C[C@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)[C@@H](C)C[NH2+]1 ZINC001236078267 1099374979 /nfs/dbraw/zinc/37/49/79/1099374979.db2.gz ADMMLLMOLXPXFW-KBPBESRZSA-N 1 0 314.404 3.381 20 10 DGCDRO Cc1cc(C)c(CN2CC[NH2+]C[C@@H]2c2cccs2)c(O)c1 ZINC001236114824 1099403311 /nfs/dbraw/zinc/40/33/11/1099403311.db2.gz CACXIRGCFBRNKP-OAHLLOKOSA-N 1 0 302.443 3.217 20 10 DGCDRO CN(Cc1cc(Cl)c(Cl)cc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236208232 1099465029 /nfs/dbraw/zinc/46/50/29/1099465029.db2.gz UIDDOQVECYMKAC-CQSZACIVSA-N 1 0 303.233 3.273 20 10 DGCDRO CN(Cc1cc(C(F)(F)F)ccc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216407 1099471900 /nfs/dbraw/zinc/47/19/00/1099471900.db2.gz KFINROBZZRTBQD-STQMWFEESA-N 1 0 302.340 3.113 20 10 DGCDRO CCN(CC)c1ccc(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])c(OC)c1 ZINC001236219424 1099475750 /nfs/dbraw/zinc/47/57/50/1099475750.db2.gz VZMSYPYNDVYDIZ-ZWKOTPCHSA-N 1 0 319.493 3.243 20 10 DGCDRO CC(C)(C)c1cccc(CN2CCC[C@H]([NH2+]C3CC3)C2)c1O ZINC001236218691 1099476198 /nfs/dbraw/zinc/47/61/98/1099476198.db2.gz SWZMTHBQWURLKJ-INIZCTEOSA-N 1 0 302.462 3.406 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236242337 1099497251 /nfs/dbraw/zinc/49/72/51/1099497251.db2.gz WCYUQIXVKGTSRG-NSHDSACASA-N 1 0 315.244 3.415 20 10 DGCDRO Nc1ccc(CN(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236359435 1099552060 /nfs/dbraw/zinc/55/20/60/1099552060.db2.gz ZZCMXARBIMVWEK-GOSISDBHSA-N 1 0 313.420 3.162 20 10 DGCDRO CC(C)N(Cc1c(O)ccc(F)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236470718 1099629680 /nfs/dbraw/zinc/62/96/80/1099629680.db2.gz MYNYRJFNOCBQLL-LLVKDONJSA-N 1 0 300.805 3.147 20 10 DGCDRO CC(C)CN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236475387 1099633480 /nfs/dbraw/zinc/63/34/80/1099633480.db2.gz XIUCZILMQWEEGB-HXUWFJFHSA-N 1 0 315.505 3.497 20 10 DGCDRO [NH3+]CCN(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1O ZINC001236524084 1099658512 /nfs/dbraw/zinc/65/85/12/1099658512.db2.gz NTIYEFBJVUYTKH-UHFFFAOYSA-N 1 0 324.346 3.372 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236602453 1099697088 /nfs/dbraw/zinc/69/70/88/1099697088.db2.gz WCDRNLTZMPTTHH-LLVKDONJSA-N 1 0 312.816 3.149 20 10 DGCDRO COc1cc(O)c(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236602690 1099697693 /nfs/dbraw/zinc/69/76/93/1099697693.db2.gz ZWIYZLFNXAAZMO-GFCCVEGCSA-N 1 0 324.852 3.018 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)[C@H]1C ZINC001236774813 1099777786 /nfs/dbraw/zinc/77/77/86/1099777786.db2.gz IKVFDMYJAKJVFP-UWVGGRQHSA-N 1 0 314.223 3.481 20 10 DGCDRO CCc1ccc(C[N@@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001236782544 1099779937 /nfs/dbraw/zinc/77/99/37/1099779937.db2.gz CCJLOSAAHMRQGS-ABAIWWIYSA-N 1 0 317.351 3.090 20 10 DGCDRO CCc1ccc(C[NH+]2CCC(N(C(C)=O)C(C)C)CC2)c(O)c1 ZINC001236786429 1099784055 /nfs/dbraw/zinc/78/40/55/1099784055.db2.gz BIONPRSWPBKUMK-UHFFFAOYSA-N 1 0 318.461 3.176 20 10 DGCDRO CCc1noc(C2CC[NH+](Cc3ccc(CC)cc3O)CC2)n1 ZINC001236791217 1099786920 /nfs/dbraw/zinc/78/69/20/1099786920.db2.gz FKXIATMGJZJHPM-UHFFFAOYSA-N 1 0 315.417 3.280 20 10 DGCDRO CCc1ccc(C[NH+]2CCC(c3nc(C)no3)CC2)c(O)c1 ZINC001236791729 1099789066 /nfs/dbraw/zinc/78/90/66/1099789066.db2.gz JBZKFXKHRDFUSO-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001236796519 1099789467 /nfs/dbraw/zinc/78/94/67/1099789467.db2.gz 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DGCDRO CCOc1ccc(C[N@H+](C)Cc2cnc3ccccn23)c(O)c1 ZINC001237050886 1099944881 /nfs/dbraw/zinc/94/48/81/1099944881.db2.gz YHWVXRDYEHGVDQ-UHFFFAOYSA-N 1 0 311.385 3.071 20 10 DGCDRO CC[NH+](CC)C[C@@H]1CN(Cc2ccc(C(C)C)cc2O)CCO1 ZINC001237050396 1099945883 /nfs/dbraw/zinc/94/58/83/1099945883.db2.gz BAGHRXZTOCRTOK-GOSISDBHSA-N 1 0 320.477 3.058 20 10 DGCDRO CCC(=O)NC1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237052857 1099946467 /nfs/dbraw/zinc/94/64/67/1099946467.db2.gz DEQZXJRBYOHBLO-UHFFFAOYSA-N 1 0 304.434 3.006 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237055899 1099947779 /nfs/dbraw/zinc/94/77/79/1099947779.db2.gz RZFDDCCNCPAEHW-CQSZACIVSA-N 1 0 305.418 3.291 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(C)CC2)c(Br)c1 ZINC001237062782 1099953843 /nfs/dbraw/zinc/95/38/43/1099953843.db2.gz OQBWPXMAQAQPDL-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO CC[NH+](CC)CCN(C)Cc1c(O)ccc(Cl)c1Cl ZINC001237077048 1099954654 /nfs/dbraw/zinc/95/46/54/1099954654.db2.gz BZFNWSCWTWSSOO-UHFFFAOYSA-N 1 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CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C(C)(C)CC ZINC001273581874 1100055313 /nfs/dbraw/zinc/05/53/13/1100055313.db2.gz MTGHAVYSCUTFOP-UHFFFAOYSA-N 1 0 320.477 3.378 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001237487229 1100139152 /nfs/dbraw/zinc/13/91/52/1100139152.db2.gz HBXITDMVTNRVFO-QUCCMNQESA-N 1 0 322.452 3.407 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237484303 1100139591 /nfs/dbraw/zinc/13/95/91/1100139591.db2.gz BCDIVEORNYEBTQ-SFHVURJKSA-N 1 0 305.418 3.256 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)c1ccccc1NC2=O ZINC001237484863 1100139712 /nfs/dbraw/zinc/13/97/12/1100139712.db2.gz JBYLMHPKZZFDJL-UHFFFAOYSA-N 1 0 322.408 3.187 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ccc(F)cc2C)CC1 ZINC001237491648 1100143556 /nfs/dbraw/zinc/14/35/56/1100143556.db2.gz LIAIFLQVKIMZSB-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001237494843 1100144950 /nfs/dbraw/zinc/14/49/50/1100144950.db2.gz 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COc1ccc(N2CC[NH+](C[C@H](CC(C)C)OC)CC2)cc1F ZINC001192108532 1100573287 /nfs/dbraw/zinc/57/32/87/1100573287.db2.gz WVRGZOBLNVCRGK-INIZCTEOSA-N 1 0 324.440 3.017 20 10 DGCDRO Cc1cc2c(cccc2-c2cnc(N3CC[NH2+]CC3)c(C)c2)n1C ZINC001239743314 1100739597 /nfs/dbraw/zinc/73/95/97/1100739597.db2.gz YSZPJEPXJXMTDI-UHFFFAOYSA-N 1 0 320.440 3.267 20 10 DGCDRO Cn1ccc2ccc(-c3cncc([C@H]4C[NH+]5CCC4CC5)n3)cc21 ZINC001240574215 1101055551 /nfs/dbraw/zinc/05/55/51/1101055551.db2.gz ZCCHKCNBJZWFGU-KRWDZBQOSA-N 1 0 318.424 3.445 20 10 DGCDRO Cn1ccc2ccc(-c3ccc4c(C5C[NH2+]C5)ncn4c3)cc21 ZINC001240573420 1101056078 /nfs/dbraw/zinc/05/60/78/1101056078.db2.gz ARJORMQBKBHUJK-UHFFFAOYSA-N 1 0 302.381 3.180 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1c(F)cccc1F ZINC001197004714 1101454963 /nfs/dbraw/zinc/45/49/63/1101454963.db2.gz VBBPRCSMGRMUIS-GHMZBOCLSA-N 1 0 320.339 3.348 20 10 DGCDRO COc1ccccc1CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001198917576 1102027856 /nfs/dbraw/zinc/02/78/56/1102027856.db2.gz CHVWJQKGDWHRGQ-UHFFFAOYSA-N 1 0 320.383 3.372 20 10 DGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Br)ccc2O)[C@@H](C)O1 ZINC000686512202 1103048701 /nfs/dbraw/zinc/04/87/01/1103048701.db2.gz NWYRPXWOQCSKDM-GMTAPVOTSA-N 1 0 314.223 3.058 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](CCO)C1CCOCC1 ZINC001325506487 1103055767 /nfs/dbraw/zinc/05/57/67/1103055767.db2.gz PZNZITIEBGZUJG-KBMXLJTQSA-N 1 0 319.445 3.016 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)cc1 ZINC001325928097 1103165338 /nfs/dbraw/zinc/16/53/38/1103165338.db2.gz HIQKJTOINWSISJ-IBGZPJMESA-N 1 0 304.478 3.373 20 10 DGCDRO CO[C@@H](C)C[N@H+](Cc1cc(Br)ccc1O)C(C)C ZINC000688093908 1103197999 /nfs/dbraw/zinc/19/79/99/1103197999.db2.gz FPUVZTSYXTUWAH-NSHDSACASA-N 1 0 316.239 3.400 20 10 DGCDRO C[C@@H]1CCc2nc(C[NH2+]CCc3ccc(N)cc3)sc2C1 ZINC001326073918 1103200179 /nfs/dbraw/zinc/20/01/79/1103200179.db2.gz BFDTWRYEFSQJEL-GFCCVEGCSA-N 1 0 301.459 3.182 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC001326216902 1103236526 /nfs/dbraw/zinc/23/65/26/1103236526.db2.gz XPLAJGDCCICXBS-PJIJBLCYSA-N 1 0 319.445 3.016 20 10 DGCDRO Oc1cccc(F)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001276360873 1103535303 /nfs/dbraw/zinc/53/53/03/1103535303.db2.gz XQBBMZMTSDSAED-GASCZTMLSA-N 1 0 304.409 3.123 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC001327149136 1103554267 /nfs/dbraw/zinc/55/42/67/1103554267.db2.gz CZLVPKIUZYCLGH-VHICIVCISA-N 1 0 309.409 3.497 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC001327149135 1103554706 /nfs/dbraw/zinc/55/47/06/1103554706.db2.gz CZLVPKIUZYCLGH-NKZDFZCZSA-N 1 0 309.409 3.497 20 10 DGCDRO Cc1cc(C)c(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)c(O)c1 ZINC001276365210 1103562309 /nfs/dbraw/zinc/56/23/09/1103562309.db2.gz MCGRPTQFOLXLNC-UHFFFAOYSA-N 1 0 314.473 3.459 20 10 DGCDRO CC[C@](C)([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001327846034 1103741330 /nfs/dbraw/zinc/74/13/30/1103741330.db2.gz TZSNFNOKKUFBKZ-IBGZPJMESA-N 1 0 319.468 3.246 20 10 DGCDRO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001327951723 1103776514 /nfs/dbraw/zinc/77/65/14/1103776514.db2.gz JXWRJUZHIPHUPB-VAMGGRTRSA-N 1 0 314.473 3.412 20 10 DGCDRO Cc1cc(N(C)C)ccc1C1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001245427776 1104051360 /nfs/dbraw/zinc/05/13/60/1104051360.db2.gz NODZMAHYFQVZIG-KRWDZBQOSA-N 1 0 300.446 3.329 20 10 DGCDRO CCCN(Cc1noc(C2CCC2)n1)Cc1ccccc1O ZINC001329224853 1104193316 /nfs/dbraw/zinc/19/33/16/1104193316.db2.gz KBJICBCZVFOHRC-UHFFFAOYSA-N 1 0 301.390 3.455 20 10 DGCDRO CCCCC[C@@H](O)CNc1ccccc1OCC1CC[NH2+]CC1 ZINC001245971919 1104344728 /nfs/dbraw/zinc/34/47/28/1104344728.db2.gz MGOGELKZINDDQF-QGZVFWFLSA-N 1 0 320.477 3.418 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275276337 1104700451 /nfs/dbraw/zinc/70/04/51/1104700451.db2.gz ISZWXICXZWUNTP-UHFFFAOYSA-N 1 0 320.864 3.496 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@]34C[C@H]3CC[NH2+]4)n2)cc1 ZINC001247955258 1105020519 /nfs/dbraw/zinc/02/05/19/1105020519.db2.gz ZUAPCZNGRDKACM-BEFAXECRSA-N 1 0 320.396 3.353 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[C@H]([NH3+])C3)n2)cc1 ZINC001248315404 1105094996 /nfs/dbraw/zinc/09/49/96/1105094996.db2.gz WMABITKMNLIVQK-SHTZXODSSA-N 1 0 308.385 3.349 20 10 DGCDRO CN1CC2(C1)CC[N@H+](Cc1cc(Cl)c(C(C)(C)C)cc1O)C2 ZINC001248884985 1105186730 /nfs/dbraw/zinc/18/67/30/1105186730.db2.gz HNAMFJJTTWVYFB-UHFFFAOYSA-N 1 0 322.880 3.481 20 10 DGCDRO COC(=O)[C@H](C)N(C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883969 1105186740 /nfs/dbraw/zinc/18/67/40/1105186740.db2.gz UVPUTRXTERXXDM-JTQLQIEISA-N 1 0 313.825 3.336 20 10 DGCDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249224390 1105249771 /nfs/dbraw/zinc/24/97/71/1105249771.db2.gz YHQLYOURHXNJTC-ZIAGYGMSSA-N 1 0 317.429 3.169 20 10 DGCDRO CC[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)CC(C)(C)O ZINC001249251945 1105256705 /nfs/dbraw/zinc/25/67/05/1105256705.db2.gz CKWJFIDHEGFWDD-UHFFFAOYSA-N 1 0 305.418 3.169 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CCCOC1 ZINC001249258487 1105258435 /nfs/dbraw/zinc/25/84/35/1105258435.db2.gz IPFJMJVEIPJURP-CQSZACIVSA-N 1 0 303.402 3.187 20 10 DGCDRO Cc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)cc1C ZINC001249339497 1105271519 /nfs/dbraw/zinc/27/15/19/1105271519.db2.gz LPFNQSLNRWFLOS-OAHLLOKOSA-N 1 0 309.369 3.302 20 10 DGCDRO Cc1cc(C[N@H+](C)Cc2cccnc2)c(O)cc1Br ZINC001250117290 1105445706 /nfs/dbraw/zinc/44/57/06/1105445706.db2.gz MAXRAZGWBVNFHJ-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001137346667 1105493666 /nfs/dbraw/zinc/49/36/66/1105493666.db2.gz HNZQKKHIIFREDX-QGZVFWFLSA-N 1 0 318.461 3.251 20 10 DGCDRO CN(C)c1ccc(CC2=CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001250434900 1105514657 /nfs/dbraw/zinc/51/46/57/1105514657.db2.gz QFLAWOJJVUNWGG-LJQANCHMSA-N 1 0 300.446 3.106 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001253115121 1105893298 /nfs/dbraw/zinc/89/32/98/1105893298.db2.gz GIKHADYCYUSZPV-HXUWFJFHSA-N 1 0 310.441 3.284 20 10 DGCDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)c(O)c1 ZINC001253378577 1105932249 /nfs/dbraw/zinc/93/22/49/1105932249.db2.gz PQEKKDPSNTUTTN-QGZVFWFLSA-N 1 0 307.340 3.110 20 10 DGCDRO CC(C)(C)[NH2+]C[C@@H](O)CNc1cccc2c1C(=O)c1ccccc1-2 ZINC001253400013 1105934590 /nfs/dbraw/zinc/93/45/90/1105934590.db2.gz ITCOGQDNKYLBJY-ZDUSSCGKSA-N 1 0 324.424 3.059 20 10 DGCDRO CCc1nnc([C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)[nH]1 ZINC001254728941 1106136488 /nfs/dbraw/zinc/13/64/88/1106136488.db2.gz AIJDFSPXADFSHV-GRYCIOLGSA-N 1 0 300.406 3.280 20 10 DGCDRO CCCC[C@H](C)[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001255332283 1106224651 /nfs/dbraw/zinc/22/46/51/1106224651.db2.gz MJZXRYMAMJXXKX-KRWDZBQOSA-N 1 0 320.477 3.413 20 10 DGCDRO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001255354280 1106230873 /nfs/dbraw/zinc/23/08/73/1106230873.db2.gz SEYTWSLKOBIMPK-JKSUJKDBSA-N 1 0 305.418 3.215 20 10 DGCDRO CCOC(=O)[C@H]1CCC[C@H]([N@H+](CC)Cc2ccccc2O)C1 ZINC001255368051 1106233658 /nfs/dbraw/zinc/23/36/58/1106233658.db2.gz COBDBTGIMHJFLC-HOCLYGCPSA-N 1 0 305.418 3.336 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H]3CCOC(C)(C)C3)CC2)c(C)c1 ZINC001255550460 1106268385 /nfs/dbraw/zinc/26/83/85/1106268385.db2.gz APBRWQOFMAEGRI-MRXNPFEDSA-N 1 0 318.461 3.083 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](CC)Cc2ccc(N(C)C)cc2)C1 ZINC001257070199 1106533091 /nfs/dbraw/zinc/53/30/91/1106533091.db2.gz MRMRFAVNBHWQHL-AEFFLSMTSA-N 1 0 318.461 3.306 20 10 DGCDRO CCCCOC(=O)CC[C@@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001257403306 1106583413 /nfs/dbraw/zinc/58/34/13/1106583413.db2.gz RYZXXMOUCYAAIU-CQSZACIVSA-N 1 0 305.418 3.262 20 10 DGCDRO CC[C@H](C)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001257431302 1106587560 /nfs/dbraw/zinc/58/75/60/1106587560.db2.gz CFGQHZTZHITSTR-JBBXEZCESA-N 1 0 300.402 3.227 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2COc3ccc(Cl)cc3C2)c1O ZINC001257953043 1106649960 /nfs/dbraw/zinc/64/99/60/1106649960.db2.gz MKCCREPCZBAISI-OAHLLOKOSA-N 1 0 303.789 3.447 20 10 DGCDRO COC1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001320253306 1106938392 /nfs/dbraw/zinc/93/83/92/1106938392.db2.gz TWKODAHELHLFIB-UONOGXRCSA-N 1 0 305.418 3.034 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCNc1ncccn1 ZINC001320411711 1106999718 /nfs/dbraw/zinc/99/97/18/1106999718.db2.gz RQBACTSIELEGHL-ZIAGYGMSSA-N 1 0 312.417 3.131 20 10 DGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001321074681 1107240192 /nfs/dbraw/zinc/24/01/92/1107240192.db2.gz SCAGKJCMAGBRHS-FVQBIDKESA-N 1 0 316.445 3.097 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ncnn1C(C)(C)C ZINC001321374418 1107334023 /nfs/dbraw/zinc/33/40/23/1107334023.db2.gz ZWUINKOVNVTKRH-OLZOCXBDSA-N 1 0 314.433 3.385 20 10 DGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C12CCC2 ZINC001261295592 1107406573 /nfs/dbraw/zinc/40/65/73/1107406573.db2.gz DJAXYTFLLMPUAC-QZTJIDSGSA-N 1 0 300.446 3.334 20 10 DGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C12CCC2 ZINC001261295591 1107406609 /nfs/dbraw/zinc/40/66/09/1107406609.db2.gz DJAXYTFLLMPUAC-MSOLQXFVSA-N 1 0 300.446 3.334 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc3c(c2)CCC3)cc1 ZINC001261370833 1107420338 /nfs/dbraw/zinc/42/03/38/1107420338.db2.gz WBNKSXBJEDZJDP-HXUWFJFHSA-N 1 0 309.457 3.031 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccc(N(C)C)n1 ZINC001323830037 1108099296 /nfs/dbraw/zinc/09/92/96/1108099296.db2.gz PAWIVVOFIHGLMD-HIFRSBDPSA-N 1 0 311.429 3.500 20 10 DGCDRO COc1cccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1O ZINC001324039113 1108154910 /nfs/dbraw/zinc/15/49/10/1108154910.db2.gz KBWUSCDIRFZLSA-UHFFFAOYSA-N 1 0 311.381 3.154 20 10 DGCDRO Cn1cc([C@H]([NH2+][C@@H]2CCc3cccc(O)c32)c2ccccc2)cn1 ZINC001324601147 1108367708 /nfs/dbraw/zinc/36/77/08/1108367708.db2.gz HNFRJEYMBKUWKY-YLJYHZDGSA-N 1 0 319.408 3.492 20 10 DGCDRO CC/C=C(\C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319428286 1108460864 /nfs/dbraw/zinc/46/08/64/1108460864.db2.gz GZIFNQWCRQHUKN-SBNBMVPLSA-N 1 0 318.461 3.296 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCC2CC2)cc1C ZINC001319435219 1108465180 /nfs/dbraw/zinc/46/51/80/1108465180.db2.gz AVZOHPQPWJVULQ-HNNXBMFYSA-N 1 0 318.461 3.130 20 10 DGCDRO CN(Cc1cccn1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC001325118664 1108579018 /nfs/dbraw/zinc/57/90/18/1108579018.db2.gz XHJSUSKQYZVXOA-UHFFFAOYSA-N 1 0 313.445 3.400 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001319849243 1108662446 /nfs/dbraw/zinc/66/24/46/1108662446.db2.gz PRCPFQKJBCLYMK-JKSUJKDBSA-N 1 0 317.477 3.052 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1O ZINC001319943805 1108706399 /nfs/dbraw/zinc/70/63/99/1108706399.db2.gz FCMNXNPPASJUEI-LBPRGKRZSA-N 1 0 309.406 3.001 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1([S@@](C)=O)CCC1 ZINC000393699521 1109049582 /nfs/dbraw/zinc/04/95/82/1109049582.db2.gz YRYCNNUFIHIOQP-SQHYZVFZSA-N 1 0 307.459 3.140 20 10 DGCDRO CCCC[N@H+](CCN1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1O ZINC001307722775 1111331563 /nfs/dbraw/zinc/33/15/63/1111331563.db2.gz ZPXBPTJHYNWYFM-CALCHBBNSA-N 1 0 320.477 3.104 20 10 DGCDRO Cc1cc(C[N@@H+]2C3CCC2(CO)CC3)ccc1N1CCCCC1 ZINC001308097277 1111377305 /nfs/dbraw/zinc/37/73/05/1111377305.db2.gz CWNMHDIWCPXMOF-UHFFFAOYSA-N 1 0 314.473 3.475 20 10 DGCDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308292089 1111412197 /nfs/dbraw/zinc/41/21/97/1111412197.db2.gz ICOFUGNKUBQTGD-YJBOKZPZSA-N 1 0 308.441 3.433 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1F ZINC001308322781 1111416199 /nfs/dbraw/zinc/41/61/99/1111416199.db2.gz SYBUUQADGKDZNM-KSSFIOAISA-N 1 0 319.468 3.244 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1F ZINC001308322779 1111416370 /nfs/dbraw/zinc/41/63/70/1111416370.db2.gz SYBUUQADGKDZNM-KBXCAEBGSA-N 1 0 319.468 3.244 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)cc1F ZINC001308463970 1111431700 /nfs/dbraw/zinc/43/17/00/1111431700.db2.gz JFQSIBAPXGAVCM-KDOFPFPSSA-N 1 0 306.425 3.329 20 10 DGCDRO CCCN1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001308475831 1111432633 /nfs/dbraw/zinc/43/26/33/1111432633.db2.gz WBNICQPAUVUMEZ-OAHLLOKOSA-N 1 0 320.477 3.272 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC001308475957 1111432780 /nfs/dbraw/zinc/43/27/80/1111432780.db2.gz KFRBCNWICAUAPY-KESTWPANSA-N 1 0 310.441 3.326 20 10 DGCDRO C[C@@H]1SCC[N@H+](Cc2c(O)cccc2Br)[C@H]1C ZINC001308620415 1111452186 /nfs/dbraw/zinc/45/21/86/1111452186.db2.gz VANLVSXQQQWSCS-UWVGGRQHSA-N 1 0 316.264 3.481 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c1O ZINC001308733776 1111467618 /nfs/dbraw/zinc/46/76/18/1111467618.db2.gz RWOUGEUNCJRTRM-GOSISDBHSA-N 1 0 307.434 3.082 20 10 DGCDRO CCN(CCC[NH+](CC)CC)Cc1cc(F)c(F)cc1O ZINC001308744497 1111468889 /nfs/dbraw/zinc/46/88/89/1111468889.db2.gz HPWGEULASZJHHB-UHFFFAOYSA-N 1 0 300.393 3.224 20 10 DGCDRO OC[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001308787237 1111474655 /nfs/dbraw/zinc/47/46/55/1111474655.db2.gz ZXJNPJCYUBNHNP-SFHVURJKSA-N 1 0 317.816 3.182 20 10 DGCDRO COC(=O)C[C@@](C)([NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC001308908103 1111492279 /nfs/dbraw/zinc/49/22/79/1111492279.db2.gz WMBDLUUJGMPVQC-ZMBJWTFHSA-N 1 0 316.445 3.087 20 10 DGCDRO CC(C)O[C@]1(C[NH2+]Cc2cc(C(C)C)ccc2O)CCOC1 ZINC001308951563 1111498720 /nfs/dbraw/zinc/49/87/20/1111498720.db2.gz SJZHDSLPMRKKHH-SFHVURJKSA-N 1 0 307.434 3.189 20 10 DGCDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1cccc(F)c1 ZINC000295883039 282181505 /nfs/dbraw/zinc/18/15/05/282181505.db2.gz HUWAXRVTNDZLGR-IRXDYDNUSA-N 1 0 314.404 3.411 20 10 DGCDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(N2CCCCC2)cc1 ZINC000092437651 185318468 /nfs/dbraw/zinc/31/84/68/185318468.db2.gz YKVSJBLPTVROEK-UHFFFAOYSA-N 1 0 312.461 3.433 20 10 DGCDRO CC(C)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1cccs1 ZINC000083601845 192375906 /nfs/dbraw/zinc/37/59/06/192375906.db2.gz ZDDLXNVLPBTYNT-UHFFFAOYSA-N 1 0 305.399 3.250 20 10 DGCDRO Fc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000066887600 432023829 /nfs/dbraw/zinc/02/38/29/432023829.db2.gz OVKVVPGXNQUUCW-UHFFFAOYSA-N 1 0 318.367 3.091 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192607279 283297077 /nfs/dbraw/zinc/29/70/77/283297077.db2.gz YGEGFORKTZDCPI-ZDUSSCGKSA-N 1 0 301.390 3.169 20 10 DGCDRO C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273490350 299271871 /nfs/dbraw/zinc/27/18/71/299271871.db2.gz OBXFXWPJEMLHCM-LBPRGKRZSA-N 1 0 321.421 3.214 20 10 DGCDRO CCC[N@H+](Cc1cc(C(=O)OC)co1)Cc1ccccc1O ZINC000170779106 432080631 /nfs/dbraw/zinc/08/06/31/432080631.db2.gz GHSBPMJSRQCHFQ-UHFFFAOYSA-N 1 0 303.358 3.184 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000134787622 432086129 /nfs/dbraw/zinc/08/61/29/432086129.db2.gz PBZSVVNTXDSMDX-DTJGQCLQSA-N 1 0 303.402 3.009 20 10 DGCDRO C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191210268 296115224 /nfs/dbraw/zinc/11/52/24/296115224.db2.gz FPTDZOINWKXLDO-LLVKDONJSA-N 1 0 310.388 3.195 20 10 DGCDRO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc3c(cc2O)OCO3)s1 ZINC000093275635 193223710 /nfs/dbraw/zinc/22/37/10/193223710.db2.gz YZGVMUGMCCKORE-SNVBAGLBSA-N 1 0 320.414 3.387 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000093360301 193238693 /nfs/dbraw/zinc/23/86/93/193238693.db2.gz WHSQEBIRZWYOOA-ZDUSSCGKSA-N 1 0 308.422 3.046 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000268767385 432129298 /nfs/dbraw/zinc/12/92/98/432129298.db2.gz CLSCURWQLZSVMA-FZKQIMNGSA-N 1 0 302.393 3.276 20 10 DGCDRO Cc1ccc(O)c(CN(CC[NH+](C)C)Cc2cccs2)c1 ZINC000023247865 182354364 /nfs/dbraw/zinc/35/43/64/182354364.db2.gz SEWWISUCLDAMCL-UHFFFAOYSA-N 1 0 304.459 3.326 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(N(C)C)cc1 ZINC000268853134 432144019 /nfs/dbraw/zinc/14/40/19/432144019.db2.gz CEVDCHZHGTXHHF-OAHLLOKOSA-N 1 0 321.428 3.184 20 10 DGCDRO Cc1c(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cnn1C ZINC000268962046 432148004 /nfs/dbraw/zinc/14/80/04/432148004.db2.gz XYVHBAFXKKZFTE-UHFFFAOYSA-N 1 0 312.461 3.351 20 10 DGCDRO CCOc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1O ZINC000058092773 184074366 /nfs/dbraw/zinc/07/43/66/184074366.db2.gz HPMDTIATRVQYFR-UHFFFAOYSA-N 1 0 316.357 3.031 20 10 DGCDRO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3ccccc3O)n2)cc1 ZINC000183492583 533216200 /nfs/dbraw/zinc/21/62/00/533216200.db2.gz ZAHYCOQFWBNNPC-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 ZINC000237442417 533451706 /nfs/dbraw/zinc/45/17/06/533451706.db2.gz KRDSONPKZAVAJQ-CQSZACIVSA-N 1 0 312.413 3.375 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1O ZINC000272827777 130067527 /nfs/dbraw/zinc/06/75/27/130067527.db2.gz HCCOOFAFPZWKDX-QWHCGFSZSA-N 1 0 310.397 3.323 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000273362078 130111568 /nfs/dbraw/zinc/11/15/68/130111568.db2.gz ARPSNHRIPNTBGI-DCAQKATOSA-N 1 0 314.223 3.230 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1O ZINC000273364756 130111976 /nfs/dbraw/zinc/11/19/76/130111976.db2.gz DTRIFRGBBUNJSX-OCCSQVGLSA-N 1 0 321.367 3.172 20 10 DGCDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273372593 130112357 /nfs/dbraw/zinc/11/23/57/130112357.db2.gz GKCZNCZUYVNANL-QWRGUYRKSA-N 1 0 324.222 3.091 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)c(O)c1C ZINC000273411167 130118923 /nfs/dbraw/zinc/11/89/23/130118923.db2.gz PRAAEHSBJFXYMW-HZPDHXFCSA-N 1 0 307.434 3.245 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000273415880 130119026 /nfs/dbraw/zinc/11/90/26/130119026.db2.gz QXEPICARAHCEKL-KDOFPFPSSA-N 1 0 315.413 3.402 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000273513184 130131284 /nfs/dbraw/zinc/13/12/84/130131284.db2.gz SEFOJZSQEYRDAD-CZUORRHYSA-N 1 0 303.377 3.094 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c1 ZINC000273532160 130133140 /nfs/dbraw/zinc/13/31/40/130133140.db2.gz WRCNNJVJHYBCMN-KGLIPLIRSA-N 1 0 307.434 3.240 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2ccc(Cl)cc2)c1 ZINC000273548801 130135411 /nfs/dbraw/zinc/13/54/11/130135411.db2.gz ZXICVYUDXANHBG-MEDUHNTESA-N 1 0 321.804 3.438 20 10 DGCDRO Cc1nccn1CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273559472 130136255 /nfs/dbraw/zinc/13/62/55/130136255.db2.gz HSXHJDZJWRICOC-SNVBAGLBSA-N 1 0 324.222 3.010 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cc(Cl)ccc1O ZINC000273563825 130136875 /nfs/dbraw/zinc/13/68/75/130136875.db2.gz IVNMBXULYSTONU-IAQYHMDHSA-N 1 0 314.882 3.134 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccccc1O ZINC000274736614 130258303 /nfs/dbraw/zinc/25/83/03/130258303.db2.gz DHTWYJNTNPULFB-WBVHZDCISA-N 1 0 303.377 3.176 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1F ZINC000274753603 130258707 /nfs/dbraw/zinc/25/87/07/130258707.db2.gz FJTXFRVRSFVUHR-UHFFFAOYSA-N 1 0 316.420 3.409 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)N(C)C)c1O ZINC000275387147 130312622 /nfs/dbraw/zinc/31/26/22/130312622.db2.gz YJDYPGVQLWNVIF-QWRGUYRKSA-N 1 0 315.255 3.064 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284162464 131055138 /nfs/dbraw/zinc/05/51/38/131055138.db2.gz PVMDTZDBAOEMAA-RDTXWAMCSA-N 1 0 315.413 3.402 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nnc3n2CCCCC3)c(O)c1 ZINC000284191404 131057767 /nfs/dbraw/zinc/05/77/67/131057767.db2.gz RQWKTGGDKWUQRJ-CQSZACIVSA-N 1 0 314.433 3.178 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)n(C)n1 ZINC000284447787 131081770 /nfs/dbraw/zinc/08/17/70/131081770.db2.gz SIAWQHPBKZTMCJ-JTQLQIEISA-N 1 0 324.222 3.047 20 10 DGCDRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(Br)cc1O ZINC000284457515 131082812 /nfs/dbraw/zinc/08/28/12/131082812.db2.gz UUTKUDIOHRIMLU-JTQLQIEISA-N 1 0 314.223 3.110 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1O ZINC000284927535 131123253 /nfs/dbraw/zinc/12/32/53/131123253.db2.gz GTQSVGNZBHWHMR-KGLIPLIRSA-N 1 0 311.809 3.198 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2c(F)cncc2F)c1 ZINC000285698346 131194668 /nfs/dbraw/zinc/19/46/68/131194668.db2.gz OQYODNZJMPWKBY-NXEZZACHSA-N 1 0 308.328 3.486 20 10 DGCDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000289238479 131367528 /nfs/dbraw/zinc/36/75/28/131367528.db2.gz DLWJZXKUAABADK-ONGXEEELSA-N 1 0 323.742 3.038 20 10 DGCDRO COCCC1(C)C[NH+](Cc2cc(Br)ccc2O)C1 ZINC000297421070 132014676 /nfs/dbraw/zinc/01/46/76/132014676.db2.gz NKJRAMXNFOIEPA-UHFFFAOYSA-N 1 0 314.223 3.013 20 10 DGCDRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000090952801 400083538 /nfs/dbraw/zinc/08/35/38/400083538.db2.gz UYIANTVNUQJWTQ-APWZRJJASA-N 1 0 320.477 3.115 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000091957519 400142065 /nfs/dbraw/zinc/14/20/65/400142065.db2.gz CWHZSMZKBOQJGL-ROUUACIJSA-N 1 0 314.429 3.434 20 10 DGCDRO CCOc1cccc(C[N@H+](CCCO)Cc2ccccc2)c1O ZINC000093102115 400226884 /nfs/dbraw/zinc/22/68/84/400226884.db2.gz NXINYTOLTVZEAS-UHFFFAOYSA-N 1 0 315.413 3.176 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000269154159 432154145 /nfs/dbraw/zinc/15/41/45/432154145.db2.gz PTHQRNSJABBMIX-UHFFFAOYSA-N 1 0 324.424 3.260 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000270090845 432227197 /nfs/dbraw/zinc/22/71/97/432227197.db2.gz KRGGLWZNOGDDFQ-ZSEKCTLFSA-N 1 0 303.427 3.289 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000270090839 432227219 /nfs/dbraw/zinc/22/72/19/432227219.db2.gz KRGGLWZNOGDDFQ-ASSNKEHSSA-N 1 0 303.427 3.289 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151146380 432223440 /nfs/dbraw/zinc/22/34/40/432223440.db2.gz UBXABLTYVFVRAY-CQSZACIVSA-N 1 0 316.424 3.400 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(CO)c1 ZINC000270428933 432245874 /nfs/dbraw/zinc/24/58/74/432245874.db2.gz HOBHQCMVAYJKGA-HNNXBMFYSA-N 1 0 310.441 3.412 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000280631219 276883811 /nfs/dbraw/zinc/88/38/11/276883811.db2.gz QKGWDFKBAAEHNV-FZMZJTMJSA-N 1 0 316.367 3.022 20 10 DGCDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297646282 277197040 /nfs/dbraw/zinc/19/70/40/277197040.db2.gz JZPMKBVTPDJZMT-CYBMUJFWSA-N 1 0 320.433 3.272 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(N(C)C)cc1 ZINC000090541855 278374159 /nfs/dbraw/zinc/37/41/59/278374159.db2.gz XVWIDHYURJXJHZ-QGPMSJSTSA-N 1 0 320.502 3.458 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000077325649 431584143 /nfs/dbraw/zinc/58/41/43/431584143.db2.gz NZFIWYOZMISWCT-MRXNPFEDSA-N 1 0 303.789 3.098 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)C(C)C)c1cc(Br)ccc1O ZINC000119221092 431663252 /nfs/dbraw/zinc/66/32/52/431663252.db2.gz HTLSLIHKYOKELC-GXTWGEPZSA-N 1 0 316.239 3.212 20 10 DGCDRO C[N@H+](CC[C@@H]1CCOC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000120057613 431720776 /nfs/dbraw/zinc/72/07/76/431720776.db2.gz FFBVEBQFPULDAK-QGZVFWFLSA-N 1 0 316.445 3.062 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000120056713 431721337 /nfs/dbraw/zinc/72/13/37/431721337.db2.gz RSLNKMZLUUDDCV-UHFFFAOYSA-N 1 0 315.369 3.152 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000121784729 431805973 /nfs/dbraw/zinc/80/59/73/431805973.db2.gz NDWCZZZIMXZNIQ-HNNXBMFYSA-N 1 0 322.412 3.123 20 10 DGCDRO CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000037644074 431848619 /nfs/dbraw/zinc/84/86/19/431848619.db2.gz XJYGRUUNUPDMPC-JTQLQIEISA-N 1 0 303.233 3.130 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000037738208 431850048 /nfs/dbraw/zinc/85/00/48/431850048.db2.gz GNGSDYJBOOZQMV-GXFFZTMASA-N 1 0 314.223 3.232 20 10 DGCDRO CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000093644672 431915929 /nfs/dbraw/zinc/91/59/29/431915929.db2.gz MBCAUUZWXDFRJQ-ZBFHGGJFSA-N 1 0 306.450 3.096 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](COCCOC)C2)cc1 ZINC000093755619 431917217 /nfs/dbraw/zinc/91/72/17/431917217.db2.gz NUJGZAXMRDVCRT-GOSISDBHSA-N 1 0 320.477 3.018 20 10 DGCDRO C[N@H+](CCOCC1CC1)Cc1cc(Br)ccc1O ZINC000093818436 431917929 /nfs/dbraw/zinc/91/79/29/431917929.db2.gz MZLFXZFHNBBOGI-UHFFFAOYSA-N 1 0 314.223 3.013 20 10 DGCDRO Cc1nccn1CCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000270706115 432279435 /nfs/dbraw/zinc/27/94/35/432279435.db2.gz YXBFHHBNQBHKIK-UHFFFAOYSA-N 1 0 312.461 3.312 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccccc1O ZINC000183417715 432291320 /nfs/dbraw/zinc/29/13/20/432291320.db2.gz NERFMRXFNMYSPZ-CQSZACIVSA-N 1 0 310.397 3.370 20 10 DGCDRO COCCOc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183415783 432292255 /nfs/dbraw/zinc/29/22/55/432292255.db2.gz ORYFOEPBMRIFFL-CQSZACIVSA-N 1 0 301.386 3.268 20 10 DGCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cc(Cl)ccc1O ZINC000248521663 432298496 /nfs/dbraw/zinc/29/84/96/432298496.db2.gz RNLSVBIIMRVJFK-UDTVLSCZSA-N 1 0 303.789 3.355 20 10 DGCDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1cc(F)ccc1O)Cc1ccccc1 ZINC000191779946 432300680 /nfs/dbraw/zinc/30/06/80/432300680.db2.gz LODLQQOSYBKLOF-IFXJQAMLSA-N 1 0 317.404 3.251 20 10 DGCDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(C)ccc1O ZINC000271176041 432346757 /nfs/dbraw/zinc/34/67/57/432346757.db2.gz WTSXWJLAZNTQIW-UHFFFAOYSA-N 1 0 301.415 3.350 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)c1O ZINC000271331568 432376149 /nfs/dbraw/zinc/37/61/49/432376149.db2.gz FQGDJBSWUDWAKD-KZULUSFZSA-N 1 0 319.376 3.406 20 10 DGCDRO C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000184902936 432444453 /nfs/dbraw/zinc/44/44/53/432444453.db2.gz LASNIHWESYXENH-JSGCOSHPSA-N 1 0 313.825 3.282 20 10 DGCDRO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185231486 432481649 /nfs/dbraw/zinc/48/16/49/432481649.db2.gz SYSWTHSFSYJDSR-JTQLQIEISA-N 1 0 316.239 3.356 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c1 ZINC000185351740 432494760 /nfs/dbraw/zinc/49/47/60/432494760.db2.gz KWUXTIZIGNFHSQ-CHWSQXEVSA-N 1 0 301.386 3.388 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2O)c1 ZINC000185418792 432499323 /nfs/dbraw/zinc/49/93/23/432499323.db2.gz SZHWZGJDWGEYGA-DIFFPNOSSA-N 1 0 321.804 3.438 20 10 DGCDRO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185438127 432501228 /nfs/dbraw/zinc/50/12/28/432501228.db2.gz YBEPKMUIOWCNDU-ISTVAULSSA-N 1 0 316.239 3.212 20 10 DGCDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000193911090 432508924 /nfs/dbraw/zinc/50/89/24/432508924.db2.gz MUDJCLHDJDJUAV-OAHLLOKOSA-N 1 0 312.413 3.090 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1 ZINC000185528987 432509314 /nfs/dbraw/zinc/50/93/14/432509314.db2.gz PYILAMGWWRESSV-BZNIZROVSA-N 1 0 307.415 3.021 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1 ZINC000185529006 432509338 /nfs/dbraw/zinc/50/93/38/432509338.db2.gz PYILAMGWWRESSV-MEDUHNTESA-N 1 0 307.415 3.021 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C12CCC2 ZINC000185551462 432510219 /nfs/dbraw/zinc/51/02/19/432510219.db2.gz XEDYHEJUJUTLFK-VUCTXSBTSA-N 1 0 305.418 3.399 20 10 DGCDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cn1 ZINC000185084429 432465699 /nfs/dbraw/zinc/46/56/99/432465699.db2.gz IEMGAEFDVVNSLT-AWEZNQCLSA-N 1 0 322.412 3.441 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(O)c1 ZINC000186136661 432561673 /nfs/dbraw/zinc/56/16/73/432561673.db2.gz YHTOZPGJOFFGBG-CKEIUWERSA-N 1 0 307.459 3.406 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136224 432562369 /nfs/dbraw/zinc/56/23/69/432562369.db2.gz IXMSDKDPYGHRFX-JKIFEVAISA-N 1 0 307.459 3.406 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1O ZINC000185652038 432520939 /nfs/dbraw/zinc/52/09/39/432520939.db2.gz PDDITKPBNFWYSS-JSGCOSHPSA-N 1 0 305.805 3.472 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1O ZINC000186789421 432630573 /nfs/dbraw/zinc/63/05/73/432630573.db2.gz GWUJUYTWSHUPNN-OASPWFOLSA-N 1 0 314.223 3.109 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CCCO)c1O ZINC000187294827 432655822 /nfs/dbraw/zinc/65/58/22/432655822.db2.gz YGYWWXQXXZPBTI-MNOVXSKESA-N 1 0 316.239 3.275 20 10 DGCDRO Cc1ccoc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160195956 432710356 /nfs/dbraw/zinc/71/03/56/432710356.db2.gz RFCAHVGIXOOETA-MRXNPFEDSA-N 1 0 301.386 3.475 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)cc1OC ZINC000187679523 432675523 /nfs/dbraw/zinc/67/55/23/432675523.db2.gz XEKDZUYPUSPJIM-ZBFHGGJFSA-N 1 0 323.433 3.093 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCC1 ZINC000178537799 432749918 /nfs/dbraw/zinc/74/99/18/432749918.db2.gz XRNXOTYTHZIVLE-OAHLLOKOSA-N 1 0 302.462 3.174 20 10 DGCDRO CCC[C@H](CCO)C[NH2+]Cc1cc(Br)ccc1O ZINC000231381527 432732933 /nfs/dbraw/zinc/73/29/33/432732933.db2.gz LYERCYVZUWBDFN-LLVKDONJSA-N 1 0 316.239 3.043 20 10 DGCDRO CCOc1cc(C[N@H+](C)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000276952818 432828140 /nfs/dbraw/zinc/82/81/40/432828140.db2.gz UNMJUPVSGHGMMP-UHFFFAOYSA-N 1 0 316.357 3.331 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1O ZINC000276979723 432828328 /nfs/dbraw/zinc/82/83/28/432828328.db2.gz VQEPXGAVOQTMHA-RHSMWYFYSA-N 1 0 316.445 3.367 20 10 DGCDRO CCC(O)(CC)CC[NH2+]Cc1cc(Br)ccc1O ZINC000276210532 432784513 /nfs/dbraw/zinc/78/45/13/432784513.db2.gz KBUXLYKXSILORS-UHFFFAOYSA-N 1 0 316.239 3.186 20 10 DGCDRO Cc1cc(C(=O)NCCCC[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000237587872 432791944 /nfs/dbraw/zinc/79/19/44/432791944.db2.gz VLYAHZPKTJZGAN-UHFFFAOYSA-N 1 0 319.836 3.216 20 10 DGCDRO Cc1cc(C(=O)NCCCC[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000237588020 432792685 /nfs/dbraw/zinc/79/26/85/432792685.db2.gz SJUZDSVUIGSLSH-UHFFFAOYSA-N 1 0 319.836 3.216 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1C ZINC000278308850 432891300 /nfs/dbraw/zinc/89/13/00/432891300.db2.gz DZCURHBOQYNGRC-IUODEOHRSA-N 1 0 317.351 3.144 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c1O ZINC000278276717 432891326 /nfs/dbraw/zinc/89/13/26/432891326.db2.gz PMLADQPZKQAJST-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCSC1)C[C@@H]1CCCO1 ZINC000278392290 432892961 /nfs/dbraw/zinc/89/29/61/432892961.db2.gz AIXXADAQSIIVRB-HOCLYGCPSA-N 1 0 307.459 3.126 20 10 DGCDRO Cc1ccc([C@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(O)c1 ZINC000296621251 432924321 /nfs/dbraw/zinc/92/43/21/432924321.db2.gz WXBJLPMLWOFEGC-HRCADAONSA-N 1 0 324.424 3.043 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCCO)cc1 ZINC000296680639 432924951 /nfs/dbraw/zinc/92/49/51/432924951.db2.gz GUFJNLPNQDYVEG-UHFFFAOYSA-N 1 0 304.459 3.247 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1cc(F)cc(Cl)c1 ZINC000278794299 432901981 /nfs/dbraw/zinc/90/19/81/432901981.db2.gz QWMBNNMHMIUDOT-MRXNPFEDSA-N 1 0 321.779 3.237 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(N(C)C)cc1 ZINC000278913157 432916655 /nfs/dbraw/zinc/91/66/55/432916655.db2.gz GZYALINIOSFROP-MAUKXSAKSA-N 1 0 312.461 3.252 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289641125 432971049 /nfs/dbraw/zinc/97/10/49/432971049.db2.gz SMSMROOPPZMUEQ-ZWKOTPCHSA-N 1 0 300.446 3.286 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1C ZINC000289699177 432971547 /nfs/dbraw/zinc/97/15/47/432971547.db2.gz ONQIFPFUUHOWGF-UONOGXRCSA-N 1 0 317.351 3.002 20 10 DGCDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000289701225 432971718 /nfs/dbraw/zinc/97/17/18/432971718.db2.gz IQOMKTFIMROELH-CQSZACIVSA-N 1 0 316.424 3.432 20 10 DGCDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000289915112 432978715 /nfs/dbraw/zinc/97/87/15/432978715.db2.gz VHVRPNVRUQAKPW-IUODEOHRSA-N 1 0 324.852 3.113 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCc3ccc(F)cc31)OCO2 ZINC000279636815 432989791 /nfs/dbraw/zinc/98/97/91/432989791.db2.gz CMINTEVWYLXHBO-OAHLLOKOSA-N 1 0 315.344 3.427 20 10 DGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000279994434 432999478 /nfs/dbraw/zinc/99/94/78/432999478.db2.gz FOVVDYARUMIVCV-HNNXBMFYSA-N 1 0 317.433 3.246 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(C)cc1O ZINC000280144619 433005355 /nfs/dbraw/zinc/00/53/55/433005355.db2.gz PVYGNYNMLVEWOO-KRWDZBQOSA-N 1 0 312.413 3.301 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(OC)nc1OC)c1ccccc1O ZINC000290250259 433020835 /nfs/dbraw/zinc/02/08/35/433020835.db2.gz UEOGKOZQWJOAIQ-AWEZNQCLSA-N 1 0 302.374 3.045 20 10 DGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297938500 433034290 /nfs/dbraw/zinc/03/42/90/433034290.db2.gz XZUWSSUAZUYJKH-AWEZNQCLSA-N 1 0 314.341 3.086 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000290452489 433054511 /nfs/dbraw/zinc/05/45/11/433054511.db2.gz MLXQQZYLPVEZGJ-INIZCTEOSA-N 1 0 315.417 3.468 20 10 DGCDRO CCOC1(C)CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000298440737 433141633 /nfs/dbraw/zinc/14/16/33/433141633.db2.gz YYXXEJVEYVXTFL-UHFFFAOYSA-N 1 0 309.381 3.125 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1 ZINC000373175200 433113230 /nfs/dbraw/zinc/11/32/30/433113230.db2.gz FQEIHOYAMHGNKU-QGZVFWFLSA-N 1 0 315.417 3.170 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000290952986 433212251 /nfs/dbraw/zinc/21/22/51/433212251.db2.gz QULHPIITXSCJEE-SJLPKXTDSA-N 1 0 317.429 3.324 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000374607841 433232357 /nfs/dbraw/zinc/23/23/57/433232357.db2.gz BQJUDWVVOXYRSH-GOSISDBHSA-N 1 0 323.396 3.014 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000374609283 433237735 /nfs/dbraw/zinc/23/77/35/433237735.db2.gz FSGDRYGLJVCRRF-IBGZPJMESA-N 1 0 307.397 3.313 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000281158239 433266355 /nfs/dbraw/zinc/26/63/55/433266355.db2.gz BGIJTGIURHAGRH-ZDUSSCGKSA-N 1 0 317.458 3.477 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2(COC)CCOCC2)cc1 ZINC000291646740 433297055 /nfs/dbraw/zinc/29/70/55/433297055.db2.gz CFWVNEBEVGRERN-UHFFFAOYSA-N 1 0 320.477 3.066 20 10 DGCDRO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cc(F)ccc1O ZINC000281683002 433345549 /nfs/dbraw/zinc/34/55/49/433345549.db2.gz RNEQZYRWJHVVRI-NSHDSACASA-N 1 0 321.421 3.307 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2oc(CC)nc2C)c(O)c1 ZINC000291884632 433383728 /nfs/dbraw/zinc/38/37/28/433383728.db2.gz XTSCRUCLPLRSIZ-UHFFFAOYSA-N 1 0 304.390 3.330 20 10 DGCDRO CCCCN(Cc1ncnn1CC(C)C)Cc1ccccc1O ZINC000282354125 433577336 /nfs/dbraw/zinc/57/73/36/433577336.db2.gz CVEGMUKCHDNUFF-UHFFFAOYSA-N 1 0 316.449 3.442 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@@H](C)C1 ZINC000282371586 433583420 /nfs/dbraw/zinc/58/34/20/433583420.db2.gz QHTDCJBPYCYUML-GWCFXTLKSA-N 1 0 314.223 3.154 20 10 DGCDRO CCOC1(C)CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000292747832 433590733 /nfs/dbraw/zinc/59/07/33/433590733.db2.gz IEVGRKCBYNDMDO-UHFFFAOYSA-N 1 0 313.825 3.445 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2c(C)onc2CC)ccc1OC ZINC000292935461 433605299 /nfs/dbraw/zinc/60/52/99/433605299.db2.gz JKGMFOPUNFOWQD-UHFFFAOYSA-N 1 0 318.417 3.380 20 10 DGCDRO COC1(CC[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000293041899 433609620 /nfs/dbraw/zinc/60/96/20/433609620.db2.gz SKNIROGHPSMJFD-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000290241661 293463858 /nfs/dbraw/zinc/46/38/58/293463858.db2.gz SQDHVNMUEZVCEK-BBBLOLIVSA-N 1 0 302.212 3.229 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293594710 433795697 /nfs/dbraw/zinc/79/56/97/433795697.db2.gz IUGLLOSCSCWPMA-UHFFFAOYSA-N 1 0 313.397 3.274 20 10 DGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293636713 433810645 /nfs/dbraw/zinc/81/06/45/433810645.db2.gz NPCYLUCRXTVUGS-MNOVXSKESA-N 1 0 301.789 3.480 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCO1 ZINC000376803167 433819263 /nfs/dbraw/zinc/81/92/63/433819263.db2.gz DXMYGNGLZKCAGS-RBUKOAKNSA-N 1 0 318.461 3.211 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(COC)CCOCC2)cc1 ZINC000293877207 433906052 /nfs/dbraw/zinc/90/60/52/433906052.db2.gz YNSRFAMEEBBWBT-INIZCTEOSA-N 1 0 320.477 3.237 20 10 DGCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1)C(N)=O ZINC000294866882 434149650 /nfs/dbraw/zinc/14/96/50/434149650.db2.gz UIOHMZILSOETSO-GFCCVEGCSA-N 1 0 324.852 3.159 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C2(CO)CCC2)cc1 ZINC000294935647 434156438 /nfs/dbraw/zinc/15/64/38/434156438.db2.gz CJKXANFXQWXYER-UHFFFAOYSA-N 1 0 316.470 3.389 20 10 DGCDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000295014223 434159094 /nfs/dbraw/zinc/15/90/94/434159094.db2.gz JTFQSHLZGLFDAS-GFCCVEGCSA-N 1 0 318.383 3.412 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccccc1O ZINC000295105752 434206553 /nfs/dbraw/zinc/20/65/53/434206553.db2.gz KZIZMQCHZODWBQ-NVXWUHKLSA-N 1 0 303.377 3.176 20 10 DGCDRO CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1cccs1 ZINC000295992083 434464834 /nfs/dbraw/zinc/46/48/34/434464834.db2.gz NTQKXIJTGTXCKK-KGLIPLIRSA-N 1 0 302.443 3.334 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000359955085 434452394 /nfs/dbraw/zinc/45/23/94/434452394.db2.gz AXBFNIMIQGHJHM-UHFFFAOYSA-N 1 0 300.377 3.381 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CCC(n3cccn3)CC2)c1O ZINC000359960364 434453101 /nfs/dbraw/zinc/45/31/01/434453101.db2.gz ONMUSSHGJAIIRT-UHFFFAOYSA-N 1 0 321.808 3.088 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(C)cc1O ZINC000368446519 434573985 /nfs/dbraw/zinc/57/39/85/434573985.db2.gz KYZSEFLXRUWGDU-UWWQBHOKSA-N 1 0 305.418 3.079 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C1CC1 ZINC000368665182 434580285 /nfs/dbraw/zinc/58/02/85/434580285.db2.gz CCYRNHOMHITIJP-SFHVURJKSA-N 1 0 300.446 3.144 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1 ZINC000370671055 434616264 /nfs/dbraw/zinc/61/62/64/434616264.db2.gz LQROBLJEFYMQQX-KSSFIOAISA-N 1 0 324.472 3.449 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc2ccccc2c1O ZINC000370399706 434611777 /nfs/dbraw/zinc/61/17/77/434611777.db2.gz VMOXWRMDJRQKEL-SWLSCSKDSA-N 1 0 307.397 3.477 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c1 ZINC000370376191 434612252 /nfs/dbraw/zinc/61/22/52/434612252.db2.gz XDDZTXHKNZYWNC-SCLBCKFNSA-N 1 0 312.413 3.238 20 10 DGCDRO Cn1cc([C@@H]([NH2+]Cc2cc(F)ccc2O)c2ccccc2)cn1 ZINC000371811966 434754052 /nfs/dbraw/zinc/75/40/52/434754052.db2.gz YWHZFDGMVDPKQO-SFHVURJKSA-N 1 0 311.360 3.144 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000371808448 434754920 /nfs/dbraw/zinc/75/49/20/434754920.db2.gz IPIUADFOXKJSRK-LJQANCHMSA-N 1 0 323.396 3.014 20 10 DGCDRO CCOC[C@@H]1C[N@H+](Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000530107562 435043327 /nfs/dbraw/zinc/04/33/27/435043327.db2.gz ROXLDFWGACFUTJ-INIZCTEOSA-N 1 0 307.434 3.061 20 10 DGCDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185177730 333205067 /nfs/dbraw/zinc/20/50/67/333205067.db2.gz KURPUGOVVSJWJP-GFCCVEGCSA-N 1 0 316.376 3.132 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c(O)c1 ZINC000185184377 333205160 /nfs/dbraw/zinc/20/51/60/333205160.db2.gz ZLBQVIREFXGLIN-HUUCEWRRSA-N 1 0 312.413 3.056 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC(C)(C)O)cc1 ZINC000295199658 335131030 /nfs/dbraw/zinc/13/10/30/335131030.db2.gz OZNYZLMOFUCTSP-UHFFFAOYSA-N 1 0 304.459 3.245 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)CC(F)(F)F ZINC000276370412 334076295 /nfs/dbraw/zinc/07/62/95/334076295.db2.gz OISMTMFIUREHQN-OAHLLOKOSA-N 1 0 318.383 3.276 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)cc1 ZINC000295132750 334219234 /nfs/dbraw/zinc/21/92/34/334219234.db2.gz YHRUEZMHINGXHO-UHFFFAOYSA-N 1 0 309.335 3.456 20 10 DGCDRO CC[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(C)cc1O ZINC000377580361 500737974 /nfs/dbraw/zinc/73/79/74/500737974.db2.gz BPLNGMKORGTFRJ-TXPKVOOTSA-N 1 0 313.397 3.236 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(F)ccc1O ZINC000176981005 533924542 /nfs/dbraw/zinc/92/45/42/533924542.db2.gz JMXKRMGSFOECBI-NSHDSACASA-N 1 0 303.333 3.153 20 10 DGCDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000180885244 518892399 /nfs/dbraw/zinc/89/23/99/518892399.db2.gz DAKZVJLXQURLFG-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000124143468 519506039 /nfs/dbraw/zinc/50/60/39/519506039.db2.gz QRJPEWHIRRRBFX-CYBMUJFWSA-N 1 0 324.852 3.030 20 10 DGCDRO CC(C)[N@H+](CCC1OCCCO1)Cc1ccc(N(C)C)cc1 ZINC000267897162 519642516 /nfs/dbraw/zinc/64/25/16/519642516.db2.gz AEWHHLIRHRETCR-UHFFFAOYSA-N 1 0 306.450 3.116 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000180393955 534454114 /nfs/dbraw/zinc/45/41/14/534454114.db2.gz MYHWBGJCJACSBH-HNNXBMFYSA-N 1 0 304.365 3.051 20 10 DGCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000189405237 520201411 /nfs/dbraw/zinc/20/14/11/520201411.db2.gz UNHKTURJVCAMSN-JKSUJKDBSA-N 1 0 317.477 3.194 20 10 DGCDRO CCN(CC)[C@@H](C[NH2+]Cc1cccc(C)c1O)c1ccco1 ZINC000181256001 520840749 /nfs/dbraw/zinc/84/07/49/520840749.db2.gz XISCLJSMOWDXNG-INIZCTEOSA-N 1 0 302.418 3.466 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1F ZINC000126633663 520895422 /nfs/dbraw/zinc/89/54/22/520895422.db2.gz KZEYFDDNIQJPAO-XYPWUTKMSA-N 1 0 306.425 3.160 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000267156845 521154002 /nfs/dbraw/zinc/15/40/02/521154002.db2.gz DSUYCDUQTLLURH-SGTLLEGYSA-N 1 0 319.376 3.142 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](C)OC)c1cc(Br)ccc1O ZINC000191206453 522608088 /nfs/dbraw/zinc/60/80/88/522608088.db2.gz HKPPQDLQBBOIMT-SKDRFNHKSA-N 1 0 302.212 3.230 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](CC)c1ccccc1O ZINC000156923566 522661433 /nfs/dbraw/zinc/66/14/33/522661433.db2.gz LSRDTWKYEBNVKO-OAHLLOKOSA-N 1 0 301.434 3.491 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2cccc(O)c2)cc1OC ZINC000180178856 522775156 /nfs/dbraw/zinc/77/51/56/522775156.db2.gz PUGQCSGMZPFMGI-LBPRGKRZSA-N 1 0 317.385 3.308 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](C)OC)c1cc(Br)ccc1O ZINC000191206490 522858168 /nfs/dbraw/zinc/85/81/68/522858168.db2.gz HKPPQDLQBBOIMT-JOYOIKCWSA-N 1 0 302.212 3.230 20 10 DGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000191651434 523445162 /nfs/dbraw/zinc/44/51/62/523445162.db2.gz SQDHVNMUEZVCEK-AEJSXWLSSA-N 1 0 302.212 3.229 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1C ZINC000265234403 524090978 /nfs/dbraw/zinc/09/09/78/524090978.db2.gz JIGISXVPZWCSDF-KRWDZBQOSA-N 1 0 324.424 3.178 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)CCOCc2ccccc2)c1 ZINC000180713290 524734675 /nfs/dbraw/zinc/73/46/75/524734675.db2.gz ZGMFJVXJWOXJDH-UHFFFAOYSA-N 1 0 301.386 3.049 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C)c1 ZINC000182466299 524763289 /nfs/dbraw/zinc/76/32/89/524763289.db2.gz VEPQYZREZHKTIR-ACJLOTCBSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2)c1 ZINC000182432575 524775311 /nfs/dbraw/zinc/77/53/11/524775311.db2.gz QPBYCWMCBBYJAA-QWHCGFSZSA-N 1 0 314.385 3.079 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1C ZINC000266242090 525322561 /nfs/dbraw/zinc/32/25/61/525322561.db2.gz XSLIEOIEPSPHPR-MRXNPFEDSA-N 1 0 317.404 3.089 20 10 DGCDRO C[C@H]([NH2+]CCc1ccccn1)c1cc(Br)ccc1O ZINC000181006889 525367875 /nfs/dbraw/zinc/36/78/75/525367875.db2.gz PJVLIFUORZSZPJ-NSHDSACASA-N 1 0 321.218 3.443 20 10 DGCDRO C[C@@H]([NH2+]CCCn1ccnc1)c1cc(Br)ccc1O ZINC000181006849 525445871 /nfs/dbraw/zinc/44/58/71/525445871.db2.gz CEAJBCPEAFROMD-LLVKDONJSA-N 1 0 324.222 3.092 20 10 DGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccccc1O ZINC000179873172 525462789 /nfs/dbraw/zinc/46/27/89/525462789.db2.gz VGXHELGWPYDNBC-LLVKDONJSA-N 1 0 302.330 3.160 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)c1O ZINC000180893086 526023832 /nfs/dbraw/zinc/02/38/32/526023832.db2.gz XGQXONSSBXKPIZ-UHFFFAOYSA-N 1 0 316.401 3.263 20 10 DGCDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000179967565 527085659 /nfs/dbraw/zinc/08/56/59/527085659.db2.gz QMLBWBJOHAMDLF-UHFFFAOYSA-N 1 0 314.360 3.048 20 10 DGCDRO CCOc1cccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1O ZINC000093863964 528642661 /nfs/dbraw/zinc/64/26/61/528642661.db2.gz YONDUBUVRRJRLI-HNNXBMFYSA-N 1 0 315.417 3.034 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C(C)(C)n2cncn2)cc1 ZINC000283832501 535686963 /nfs/dbraw/zinc/68/69/63/535686963.db2.gz AQFWPYVYZSIGQL-OAHLLOKOSA-N 1 0 315.465 3.038 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CCOC)c2ccco2)c1 ZINC000272637026 535752392 /nfs/dbraw/zinc/75/23/92/535752392.db2.gz YSGJLTBVKGMSDK-HNNXBMFYSA-N 1 0 305.374 3.251 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccccc1O ZINC000274934489 535944592 /nfs/dbraw/zinc/94/45/92/535944592.db2.gz RPLAWHRNYFZNHK-LSDHHAIUSA-N 1 0 307.340 3.445 20 10 DGCDRO CC[NH+](CC)Cc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000731872125 574560615 /nfs/dbraw/zinc/56/06/15/574560615.db2.gz WVRQJFOVSLFOBM-UHFFFAOYSA-N 1 0 318.442 3.226 20 10 DGCDRO COc1cccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000732411214 574574130 /nfs/dbraw/zinc/57/41/30/574574130.db2.gz VIBOTOVOKVZPQJ-UHFFFAOYSA-N 1 0 314.429 3.272 20 10 DGCDRO CCC(CC)[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N(C)C ZINC000733324145 574615530 /nfs/dbraw/zinc/61/55/30/574615530.db2.gz JSOVTAPMSMXOON-SFHVURJKSA-N 1 0 309.473 3.348 20 10 DGCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000733332363 574617087 /nfs/dbraw/zinc/61/70/87/574617087.db2.gz UTNWWQZYAKIEMK-INIZCTEOSA-N 1 0 311.381 3.244 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3cccc(C)n3)CC2)cc1 ZINC000736307907 574741745 /nfs/dbraw/zinc/74/17/45/574741745.db2.gz BFMLLGRDOOAHLI-UHFFFAOYSA-N 1 0 311.429 3.111 20 10 DGCDRO CC[N@H+](CCC(=O)OC)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000738098431 574859256 /nfs/dbraw/zinc/85/92/56/574859256.db2.gz DSJOVVQMVPIPCM-UHFFFAOYSA-N 1 0 307.434 3.383 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@](C)(CO)C2CCCCC2)cc1F ZINC000740013290 574918263 /nfs/dbraw/zinc/91/82/63/574918263.db2.gz CGMSLRKQBBKJKM-GOSISDBHSA-N 1 0 308.441 3.313 20 10 DGCDRO CCC1(O)CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000742174536 574983721 /nfs/dbraw/zinc/98/37/21/574983721.db2.gz BXSBHNOFXDHGAF-UHFFFAOYSA-N 1 0 315.413 3.291 20 10 DGCDRO COCCOC[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000742377934 574994098 /nfs/dbraw/zinc/99/40/98/574994098.db2.gz ZSBGYGNMQAZGKD-OAHLLOKOSA-N 1 0 315.413 3.200 20 10 DGCDRO Cc1ncsc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000742368537 574992990 /nfs/dbraw/zinc/99/29/90/574992990.db2.gz CGYXEYMNSOGHAX-CYBMUJFWSA-N 1 0 317.458 3.139 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)c2cnn(C)c2)cc1F ZINC000742374458 574993606 /nfs/dbraw/zinc/99/36/06/574993606.db2.gz YLZHSCNRPAWEDC-UHFFFAOYSA-N 1 0 318.440 3.430 20 10 DGCDRO CC(=O)Nc1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000742376007 574993997 /nfs/dbraw/zinc/99/39/97/574993997.db2.gz YOPJOIKEIGTNKU-UHFFFAOYSA-N 1 0 304.777 3.294 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3cccc(F)c3)C1)OCO2 ZINC000729470268 575251023 /nfs/dbraw/zinc/25/10/23/575251023.db2.gz SLPISSFCCVSDLZ-ZDUSSCGKSA-N 1 0 315.344 3.250 20 10 DGCDRO CC[NH+]1CCN(c2ccc(CNc3nccs3)cc2F)CC1 ZINC000730108723 575274701 /nfs/dbraw/zinc/27/47/01/575274701.db2.gz RVLZWSCAWQBXJW-UHFFFAOYSA-N 1 0 320.437 3.036 20 10 DGCDRO Cc1c(F)cccc1NC(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000744401617 575340075 /nfs/dbraw/zinc/34/00/75/575340075.db2.gz FKFQXBKVEASSHY-UHFFFAOYSA-N 1 0 316.376 3.300 20 10 DGCDRO Oc1ccc2oc3c(c2c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2)CCCC3 ZINC000744435913 575342386 /nfs/dbraw/zinc/34/23/86/575342386.db2.gz GYJUNRXHKIANIX-BETUJISGSA-N 1 0 313.397 3.380 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000746134257 575435143 /nfs/dbraw/zinc/43/51/43/575435143.db2.gz OWRPMJCLPAIYFO-IYBDPMFKSA-N 1 0 317.477 3.022 20 10 DGCDRO CCC(CC)[C@@H](CC[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000746760881 575474380 /nfs/dbraw/zinc/47/43/80/575474380.db2.gz JHNDYDKEEPDVNP-OAHLLOKOSA-N 1 0 309.406 3.052 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000747098825 575495645 /nfs/dbraw/zinc/49/56/45/575495645.db2.gz YEIJHXMSXSDLSO-GOSISDBHSA-N 1 0 309.365 3.475 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000747827258 575544196 /nfs/dbraw/zinc/54/41/96/575544196.db2.gz NRBLAOYMANGHHD-JKSUJKDBSA-N 1 0 312.413 3.189 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@@H](c1cccs1)C1CC1)OCO2 ZINC000725843943 575927242 /nfs/dbraw/zinc/92/72/42/575927242.db2.gz HZQZAMJBMFMRSU-MRXNPFEDSA-N 1 0 303.383 3.423 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]CCN1CCc2ccccc21 ZINC000725849525 575931096 /nfs/dbraw/zinc/93/10/96/575931096.db2.gz PMWDSVBAZSBNDD-UHFFFAOYSA-N 1 0 302.805 3.198 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000852790066 620649001 /nfs/dbraw/zinc/64/90/01/620649001.db2.gz NXMFKSWVJJMKJS-INIZCTEOSA-N 1 0 324.424 3.043 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1cnccc1C(F)(F)F ZINC000853095056 620668023 /nfs/dbraw/zinc/66/80/23/620668023.db2.gz GVASANYEFHOOOC-UHFFFAOYSA-N 1 0 312.291 3.104 20 10 DGCDRO CN(CC(=O)Nc1ccc(F)cc1Cl)Cc1ccccc1O ZINC000111235150 620684956 /nfs/dbraw/zinc/68/49/56/620684956.db2.gz PATCSWYVDRJLFZ-UHFFFAOYSA-N 1 0 322.767 3.255 20 10 DGCDRO Cc1cc(CC[NH2+]Cc2c[nH]nc2C)c(C)n1-c1ccccc1 ZINC000918198274 620701523 /nfs/dbraw/zinc/70/15/23/620701523.db2.gz GTEAIYBZYATZNR-UHFFFAOYSA-N 1 0 308.429 3.458 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(C3CCC3)CC2)cc1OC ZINC000853536235 620708098 /nfs/dbraw/zinc/70/80/98/620708098.db2.gz QKJMPBKWPUYBKB-UHFFFAOYSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1cc(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)c(O)cc1C ZINC000853576620 620711466 /nfs/dbraw/zinc/71/14/66/620711466.db2.gz CUIAWJUFWKDPQU-AWEZNQCLSA-N 1 0 305.418 3.243 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853585926 620712651 /nfs/dbraw/zinc/71/26/51/620712651.db2.gz LJTKOXVMFMVIIE-ZFWWWQNUSA-N 1 0 319.445 3.167 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000853582584 620712746 /nfs/dbraw/zinc/71/27/46/620712746.db2.gz QMRAWCUDMAXTPY-UHFFFAOYSA-N 1 0 324.424 3.331 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@@](C)(C(F)F)O1 ZINC000853631456 620717734 /nfs/dbraw/zinc/71/77/34/620717734.db2.gz WKNAWZDCUWSWLA-DIFFPNOSSA-N 1 0 322.355 3.185 20 10 DGCDRO C[C@@]1(C(F)F)C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000853634005 620717745 /nfs/dbraw/zinc/71/77/45/620717745.db2.gz ZUTBMNVVFYGGNT-KRWDZBQOSA-N 1 0 307.340 3.401 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000154976322 620749717 /nfs/dbraw/zinc/74/97/17/620749717.db2.gz YKEAGHYJPYNDDQ-INMHGKMJSA-N 1 0 320.477 3.321 20 10 DGCDRO CCCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252139 617760317 /nfs/dbraw/zinc/76/03/17/617760317.db2.gz GTTFVJXIUISCHD-QGZVFWFLSA-N 1 0 305.466 3.052 20 10 DGCDRO COCC[C@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000840835879 617781672 /nfs/dbraw/zinc/78/16/72/617781672.db2.gz RLZHMQMKMYXJRG-WDEREUQCSA-N 1 0 316.239 3.478 20 10 DGCDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892008758 617943814 /nfs/dbraw/zinc/94/38/14/617943814.db2.gz VKWWNLUMFRGEJO-HNNXBMFYSA-N 1 0 323.433 3.191 20 10 DGCDRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000840854626 618021161 /nfs/dbraw/zinc/02/11/61/618021161.db2.gz FEZYYYNIMIGWMM-VNHYZAJKSA-N 1 0 324.465 3.207 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccsc2)c(O)c1OC ZINC000892660832 618129204 /nfs/dbraw/zinc/12/92/04/618129204.db2.gz WGOXYMFQJIWBRN-NSHDSACASA-N 1 0 307.415 3.192 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3F)c(O)c1OC ZINC000892680632 618136097 /nfs/dbraw/zinc/13/60/97/618136097.db2.gz QBEZRCFNWQVIOD-HNNXBMFYSA-N 1 0 317.360 3.326 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000840892674 618152046 /nfs/dbraw/zinc/15/20/46/618152046.db2.gz BYEPPPFKAOFBDT-IAGOWNOFSA-N 1 0 314.477 3.257 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c1O ZINC000894382606 618298549 /nfs/dbraw/zinc/29/85/49/618298549.db2.gz WTBTYKZNVJRPCK-KRWDZBQOSA-N 1 0 314.429 3.102 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000840892672 618299275 /nfs/dbraw/zinc/29/92/75/618299275.db2.gz BYEPPPFKAOFBDT-DLBZAZTESA-N 1 0 314.477 3.257 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)c1O ZINC000894458404 618339235 /nfs/dbraw/zinc/33/92/35/618339235.db2.gz QNZDGMQHNWTHQL-DOTOQJQBSA-N 1 0 319.445 3.476 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)[C@H]2COc3ccccc3C2)c1O ZINC000894457820 618340065 /nfs/dbraw/zinc/34/00/65/618340065.db2.gz IIRGMXJEBVDMAV-XJKSGUPXSA-N 1 0 313.397 3.130 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCOc3c(F)cccc32)c1O ZINC000894531809 618373832 /nfs/dbraw/zinc/37/38/32/618373832.db2.gz DNWWKHMAROKJEW-HNNXBMFYSA-N 1 0 317.360 3.462 20 10 DGCDRO COCC1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCCCC1 ZINC000894555340 618384275 /nfs/dbraw/zinc/38/42/75/618384275.db2.gz USNUKPVROVUNEQ-UHFFFAOYSA-N 1 0 323.433 3.096 20 10 DGCDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)c(O)c1OC ZINC000894583773 618394205 /nfs/dbraw/zinc/39/42/05/618394205.db2.gz AWBTYZJXVMIREQ-QGZVFWFLSA-N 1 0 305.418 3.420 20 10 DGCDRO COC1CCC(C[NH2+]CCCSc2nccs2)CC1 ZINC000893045665 618403256 /nfs/dbraw/zinc/40/32/56/618403256.db2.gz UGKOOLAJLLZWHS-UHFFFAOYSA-N 1 0 300.493 3.420 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c(O)c1OC ZINC000894710758 618433627 /nfs/dbraw/zinc/43/36/27/618433627.db2.gz COAGVOAWHBZSLM-CYBMUJFWSA-N 1 0 320.216 3.083 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c(O)c1OC ZINC000894772688 618450255 /nfs/dbraw/zinc/45/02/55/618450255.db2.gz MLSWHJRMNVRPEX-KRWDZBQOSA-N 1 0 323.458 3.129 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2OC)c1O ZINC000894766872 618452689 /nfs/dbraw/zinc/45/26/89/618452689.db2.gz WGOMDAQPXCQWPV-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894874891 618484995 /nfs/dbraw/zinc/48/49/95/618484995.db2.gz YPRJGNZVDQOGEB-GFCCVEGCSA-N 1 0 321.339 3.156 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](Cc2ccccc2)OC)c1O ZINC000894874729 618485126 /nfs/dbraw/zinc/48/51/26/618485126.db2.gz VYUBDNPOLJXFKY-KRWDZBQOSA-N 1 0 315.413 3.057 20 10 DGCDRO COc1cc(C)cc(CN(C)C(C)(C)C[NH+]2CCCC2)c1O ZINC000895026093 618516755 /nfs/dbraw/zinc/51/67/55/618516755.db2.gz UWAZKQHIAWEJGV-UHFFFAOYSA-N 1 0 306.450 3.015 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000840912366 618526072 /nfs/dbraw/zinc/52/60/72/618526072.db2.gz NXAVJZPETRRCQZ-IBGZPJMESA-N 1 0 301.478 3.121 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000840915930 618528746 /nfs/dbraw/zinc/52/87/46/618528746.db2.gz DBFXTAHDMHSJNN-SFHVURJKSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000840916304 618528799 /nfs/dbraw/zinc/52/87/99/618528799.db2.gz ITQQOBCRBXBJLX-LJQANCHMSA-N 1 0 302.462 3.454 20 10 DGCDRO Cc1cccc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c1O ZINC000895110765 618539413 /nfs/dbraw/zinc/53/94/13/618539413.db2.gz WWNQNNYRPQDSFT-QAQDUYKDSA-N 1 0 311.429 3.372 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000895133507 618547223 /nfs/dbraw/zinc/54/72/23/618547223.db2.gz KRPXGMZBAPTOJL-SJKOYZFVSA-N 1 0 319.376 3.060 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c(O)c1OC ZINC000895148701 618553964 /nfs/dbraw/zinc/55/39/64/618553964.db2.gz WZYUCTRIILBWDG-LSDHHAIUSA-N 1 0 317.788 3.204 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c(O)c1OC ZINC000895148700 618554121 /nfs/dbraw/zinc/55/41/21/618554121.db2.gz WZYUCTRIILBWDG-HUUCEWRRSA-N 1 0 317.788 3.204 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(O)c1OC ZINC000895179835 618568457 /nfs/dbraw/zinc/56/84/57/618568457.db2.gz HPASLDIQINUKOY-HNNXBMFYSA-N 1 0 313.344 3.031 20 10 DGCDRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936281 618610552 /nfs/dbraw/zinc/61/05/52/618610552.db2.gz IFSCUMDYWXJRME-UHFFFAOYSA-N 1 0 314.477 3.134 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)Cc2ccccc2)c(Cl)c1 ZINC000840938420 618610847 /nfs/dbraw/zinc/61/08/47/618610847.db2.gz DEIJVHLFBOJDAU-AWEZNQCLSA-N 1 0 305.805 3.047 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C(F)(F)F)CCCN2)c1 ZINC000925855864 618647284 /nfs/dbraw/zinc/64/72/84/618647284.db2.gz PROGJTOGTTXADC-SMDDNHRTSA-N 1 0 302.340 3.036 20 10 DGCDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000840974205 618649491 /nfs/dbraw/zinc/64/94/91/618649491.db2.gz ABRHZGHQIVRLGE-ZDUSSCGKSA-N 1 0 322.836 3.023 20 10 DGCDRO Cc1coc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000893881531 618670827 /nfs/dbraw/zinc/67/08/27/618670827.db2.gz VXVNSHIPTWZDSR-INIZCTEOSA-N 1 0 301.386 3.475 20 10 DGCDRO CCCN(Cc1c(Cl)c(C)nn1C)c1ccc(C[NH3+])cc1 ZINC000894047325 618699180 /nfs/dbraw/zinc/69/91/80/618699180.db2.gz SLOCKMDMYYTFDB-UHFFFAOYSA-N 1 0 306.841 3.257 20 10 DGCDRO COc1ccc(C[N@@H+]2CCSC(C)(C)CC2)c(O)c1OC ZINC000894111960 618713185 /nfs/dbraw/zinc/71/31/85/618713185.db2.gz NOMNHMLAFGJWJV-UHFFFAOYSA-N 1 0 311.447 3.127 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)c1OC ZINC000894140238 618718995 /nfs/dbraw/zinc/71/89/95/618718995.db2.gz BAHIXMHHTCAAGH-MWLCHTKSSA-N 1 0 319.323 3.182 20 10 DGCDRO COc1ccccc1CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894148624 618720331 /nfs/dbraw/zinc/72/03/31/618720331.db2.gz BPFAPNOYGSIDRM-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(CC(C)C)nc2)c(O)c1 ZINC000894184763 618725546 /nfs/dbraw/zinc/72/55/46/618725546.db2.gz GAELEIUMZGCAFR-UHFFFAOYSA-N 1 0 300.402 3.284 20 10 DGCDRO COc1ccc(C[N@H+](CC2CC2)CC2CCC2)c(O)c1OC ZINC000894184918 618725647 /nfs/dbraw/zinc/72/56/47/618725647.db2.gz HKBZZYRQUNDKFH-UHFFFAOYSA-N 1 0 305.418 3.422 20 10 DGCDRO Cc1ccnc(N)c1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000894249936 618739402 /nfs/dbraw/zinc/73/94/02/618739402.db2.gz BOHQPHUOTQFPRV-UHFFFAOYSA-N 1 0 324.472 3.498 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C12CCC2 ZINC000894267605 618746364 /nfs/dbraw/zinc/74/63/64/618746364.db2.gz BAMJZJKHQFVESI-HZPDHXFCSA-N 1 0 305.418 3.147 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c(F)c1 ZINC000894330703 618765572 /nfs/dbraw/zinc/76/55/72/618765572.db2.gz QBFAAICFEYBXKZ-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCc2nc(C)c(C)s2)c1O ZINC000894352299 618770599 /nfs/dbraw/zinc/77/05/99/618770599.db2.gz MHEIXAKEKDYXGF-UHFFFAOYSA-N 1 0 306.431 3.115 20 10 DGCDRO COc1ccc(C[NH+]2CC(C)(c3ccccc3)C2)c(O)c1OC ZINC000895512788 618794169 /nfs/dbraw/zinc/79/41/69/618794169.db2.gz KFEDDZUSAQMIGP-UHFFFAOYSA-N 1 0 313.397 3.183 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000895583589 618802355 /nfs/dbraw/zinc/80/23/55/618802355.db2.gz LXNVFEVPFXPWCS-LBPRGKRZSA-N 1 0 304.415 3.237 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)c(O)c1 ZINC000895582146 618804138 /nfs/dbraw/zinc/80/41/38/618804138.db2.gz FLPWCDBZQIVJAO-ZDUSSCGKSA-N 1 0 304.415 3.237 20 10 DGCDRO Cc1cc(O)c(CNC2(c3ncccn3)CCC2)cc1Cl ZINC000895624232 618808705 /nfs/dbraw/zinc/80/87/05/618808705.db2.gz XXFXONIGHOJSNZ-UHFFFAOYSA-N 1 0 303.793 3.313 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CCCCO3)CC2)c1 ZINC000895659464 618813453 /nfs/dbraw/zinc/81/34/53/618813453.db2.gz XUZVGXXDCAOHGI-UHFFFAOYSA-N 1 0 305.418 3.326 20 10 DGCDRO COc1cccc(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)c1O ZINC000895716564 618821753 /nfs/dbraw/zinc/82/17/53/618821753.db2.gz JCWSRUDNCLUIQE-MRXNPFEDSA-N 1 0 319.445 3.430 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896229057 618888966 /nfs/dbraw/zinc/88/89/66/618888966.db2.gz YVCOLYQKMVAGJT-LBPRGKRZSA-N 1 0 307.262 3.398 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cc1OC ZINC000896262602 618894649 /nfs/dbraw/zinc/89/46/49/618894649.db2.gz ZCZJKVOJTNESEP-QXMXGUDHSA-N 1 0 323.458 3.173 20 10 DGCDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000896492779 618919117 /nfs/dbraw/zinc/91/91/17/618919117.db2.gz VOGSFVHEZKJCAA-GFCCVEGCSA-N 1 0 305.809 3.159 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896811963 618963021 /nfs/dbraw/zinc/96/30/21/618963021.db2.gz QRKHRAJLMNJILW-YPMHNXCESA-N 1 0 307.287 3.121 20 10 DGCDRO COc1c2ccccc2oc1C[NH2+]Cc1cccc(OC)c1O ZINC000788971004 625307964 /nfs/dbraw/zinc/30/79/64/625307964.db2.gz ZRNKGBUOGZRPJO-UHFFFAOYSA-N 1 0 313.353 3.445 20 10 DGCDRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000896984528 618998854 /nfs/dbraw/zinc/99/88/54/618998854.db2.gz LEUMXGGLTOZHMJ-AWEZNQCLSA-N 1 0 320.433 3.129 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(O)(C3CCC3)CC2)cc1Cl ZINC000897035409 619004772 /nfs/dbraw/zinc/00/47/72/619004772.db2.gz PPZJGNZKMFCSJU-UHFFFAOYSA-N 1 0 309.837 3.481 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(C)cc3O)C2)n1 ZINC000897040860 619007006 /nfs/dbraw/zinc/00/70/06/619007006.db2.gz AVWXQGFYPGXNTO-TZMCWYRMSA-N 1 0 301.390 3.072 20 10 DGCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(C)cc3O)C2)n1 ZINC000897040858 619007186 /nfs/dbraw/zinc/00/71/86/619007186.db2.gz AVWXQGFYPGXNTO-JSGCOSHPSA-N 1 0 301.390 3.072 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3c(C)cccc3O)C2)n1 ZINC000897042932 619007526 /nfs/dbraw/zinc/00/75/26/619007526.db2.gz IKCOCKIUEJNVPX-CHWSQXEVSA-N 1 0 301.390 3.072 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c1O ZINC000897224966 619031982 /nfs/dbraw/zinc/03/19/82/619031982.db2.gz GOWQSAQYQWVPOX-CQSZACIVSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000897224965 619031999 /nfs/dbraw/zinc/03/19/99/619031999.db2.gz GOWQSAQYQWVPOX-AWEZNQCLSA-N 1 0 307.434 3.393 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1C ZINC000840716843 619035278 /nfs/dbraw/zinc/03/52/78/619035278.db2.gz BWTGMDLXGUQUBC-YSGRDPCXSA-N 1 0 316.489 3.420 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C2([C@H]3CCCCO3)CC2)c1O ZINC000897387447 619101565 /nfs/dbraw/zinc/10/15/65/619101565.db2.gz XEZVQSXKHKIQGE-CQSZACIVSA-N 1 0 311.809 3.246 20 10 DGCDRO CCOc1ccc(C[NH2+]CC(C)(C)C2CCOCC2)c(O)c1 ZINC000897451852 619129305 /nfs/dbraw/zinc/12/93/05/619129305.db2.gz RDGCVOXXOSQFHO-UHFFFAOYSA-N 1 0 307.434 3.333 20 10 DGCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000897524902 619147741 /nfs/dbraw/zinc/14/77/41/619147741.db2.gz GBQQQDKLLPQSSC-OAHLLOKOSA-N 1 0 318.383 3.326 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)c1O ZINC000897577878 619162763 /nfs/dbraw/zinc/16/27/63/619162763.db2.gz ZZICLIBMTQQEDS-CQSZACIVSA-N 1 0 315.417 3.101 20 10 DGCDRO CCOc1ccc(O)c(CNCC[NH2+]C2CCCCCC2)c1 ZINC000841028719 619165254 /nfs/dbraw/zinc/16/52/54/619165254.db2.gz QYCDVUDABISCED-UHFFFAOYSA-N 1 0 306.450 3.193 20 10 DGCDRO C[C@@H]1CC2(CC([NH2+]Cc3cc(F)c(N(C)C)cc3F)C2)CO1 ZINC000897775124 619179243 /nfs/dbraw/zinc/17/92/43/619179243.db2.gz BENIPNBJYVVUHU-FFLHNBHYSA-N 1 0 310.388 3.078 20 10 DGCDRO CC[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(C(F)(F)F)cc1O ZINC000898043723 619208879 /nfs/dbraw/zinc/20/88/79/619208879.db2.gz YYZIACAIHJHULR-ZDUSSCGKSA-N 1 0 313.323 3.385 20 10 DGCDRO Cc1ncccc1CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000898252070 619228460 /nfs/dbraw/zinc/22/84/60/619228460.db2.gz XDQYYBLVXMQFGM-UHFFFAOYSA-N 1 0 305.372 3.067 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cc(C)n(C)n2)cc1 ZINC000926914877 619248258 /nfs/dbraw/zinc/24/82/58/619248258.db2.gz MIYUVWNUTYUODO-OAHLLOKOSA-N 1 0 300.450 3.078 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c(O)c1 ZINC000926922915 619249630 /nfs/dbraw/zinc/24/96/30/619249630.db2.gz SFDWUDLWGSODCC-STQMWFEESA-N 1 0 316.367 3.378 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(F)ccc1O ZINC000926927269 619250137 /nfs/dbraw/zinc/25/01/37/619250137.db2.gz GCIJEKOJYADYMY-QMMMGPOBSA-N 1 0 317.286 3.134 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(F)ccc1O ZINC000926927268 619250180 /nfs/dbraw/zinc/25/01/80/619250180.db2.gz GCIJEKOJYADYMY-MRVPVSSYSA-N 1 0 317.286 3.134 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nc3c(s2)COCC3)c(O)c1C ZINC000927121633 619268728 /nfs/dbraw/zinc/26/87/28/619268728.db2.gz NUJCSBIFMAVHED-LBPRGKRZSA-N 1 0 318.442 3.389 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCOC2CCSCC2)cc1Cl ZINC000898435028 619275468 /nfs/dbraw/zinc/27/54/68/619275468.db2.gz SDRCLHPFAHSXPC-UHFFFAOYSA-N 1 0 315.866 3.356 20 10 DGCDRO C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(N2CCCCC2)c(F)c1 ZINC000902465318 619641663 /nfs/dbraw/zinc/64/16/63/619641663.db2.gz FKSLCKALNMMHJX-OXXUSNJHSA-N 1 0 317.452 3.360 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H](c2nncn2C)C(C)C)c(O)c1C ZINC000903066261 619709452 /nfs/dbraw/zinc/70/94/52/619709452.db2.gz UKXRECYOGSGZJX-ZFWWWQNUSA-N 1 0 302.422 3.185 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1O ZINC000903176421 619730342 /nfs/dbraw/zinc/73/03/42/619730342.db2.gz OSKOACWASKDMMT-KWBADKCTSA-N 1 0 319.323 3.161 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1O ZINC000903179556 619730902 /nfs/dbraw/zinc/73/09/02/619730902.db2.gz QHACUBDEGYBBHV-PLMOITTCSA-N 1 0 307.287 3.292 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN3CCSC[C@H]23)c(O)c1C ZINC000903272489 619750182 /nfs/dbraw/zinc/75/01/82/619750182.db2.gz UYLOVKYGPWXETF-BHYGNILZSA-N 1 0 320.502 3.239 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)CCc2ccccc2)c1O ZINC000903292689 619751970 /nfs/dbraw/zinc/75/19/70/619751970.db2.gz KHEZXIOEUCJHGB-GOEBONIOSA-N 1 0 315.413 3.045 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000903303379 619754189 /nfs/dbraw/zinc/75/41/89/619754189.db2.gz QBCJQYWRZVCZQD-TXPKVOOTSA-N 1 0 301.478 3.420 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)c2c1c(F)ccc2O ZINC000903323242 619755766 /nfs/dbraw/zinc/75/57/66/619755766.db2.gz DICBIDUZHWYMGZ-OTYXRUKQSA-N 1 0 313.332 3.406 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)c2c1c(F)ccc2O ZINC000903323241 619755855 /nfs/dbraw/zinc/75/58/55/619755855.db2.gz DICBIDUZHWYMGZ-LKFCYVNXSA-N 1 0 313.332 3.406 20 10 DGCDRO CO[C@@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CCSC1 ZINC000903314188 619758443 /nfs/dbraw/zinc/75/84/43/619758443.db2.gz IJSSBCIRRKEVEN-QMTHXVAHSA-N 1 0 301.839 3.218 20 10 DGCDRO CC(C)O[C@]1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCOC1 ZINC000903357235 619764737 /nfs/dbraw/zinc/76/47/37/619764737.db2.gz LJLUCJYYOZYPSL-IAISJRAMSA-N 1 0 323.408 3.253 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000903406450 619771851 /nfs/dbraw/zinc/77/18/51/619771851.db2.gz VOIOXWSWBVGNGK-BEFAXECRSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1(Cl)CC1 ZINC000903449001 619778732 /nfs/dbraw/zinc/77/87/32/619778732.db2.gz VEJFYRUTGYKNGB-BBRMVZONSA-N 1 0 309.885 3.105 20 10 DGCDRO [NH3+]CCN(Cc1cccc(Cl)c1)Cc1cccc(F)c1O ZINC000903954372 619846535 /nfs/dbraw/zinc/84/65/35/619846535.db2.gz RWEHZOBLBQKYQB-UHFFFAOYSA-N 1 0 308.784 3.146 20 10 DGCDRO Nc1ccc(C[N@H+](Cc2ccccc2O)C2CCCCC2)nn1 ZINC000904333794 619914274 /nfs/dbraw/zinc/91/42/74/619914274.db2.gz GUDPIVXASDEQEE-UHFFFAOYSA-N 1 0 312.417 3.099 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1C[NH3+] ZINC000904412065 619920287 /nfs/dbraw/zinc/92/02/87/619920287.db2.gz PDSOAQPCJOPXGZ-NXEZZACHSA-N 1 0 303.233 3.116 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1C[NH3+] ZINC000904412068 619920740 /nfs/dbraw/zinc/92/07/40/619920740.db2.gz PDSOAQPCJOPXGZ-ZJUUUORDSA-N 1 0 303.233 3.116 20 10 DGCDRO C[C@H](NC(=O)Nc1ccccc1C[NH3+])c1ccc(N(C)C)cc1 ZINC000904643658 619939124 /nfs/dbraw/zinc/93/91/24/619939124.db2.gz LAGCQUVVFRIKOV-ZDUSSCGKSA-N 1 0 312.417 3.094 20 10 DGCDRO Cc1ccc(NC(=S)NCc2cc(N(C)C)cc[nH+]2)cc1C ZINC000905619206 620013401 /nfs/dbraw/zinc/01/34/01/620013401.db2.gz RYPBUXJZXWKPKG-UHFFFAOYSA-N 1 0 314.458 3.251 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(Br)cc1O ZINC000757658634 620459087 /nfs/dbraw/zinc/45/90/87/620459087.db2.gz SHFRLYDYXSXJSG-WDEREUQCSA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(Br)ccc1O ZINC000759834990 620480227 /nfs/dbraw/zinc/48/02/27/620480227.db2.gz ABIUPQXPLBBUQV-QWRGUYRKSA-N 1 0 314.223 3.059 20 10 DGCDRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000152726885 620519394 /nfs/dbraw/zinc/51/93/94/620519394.db2.gz AQVYNBTVGFUXPG-HXUWFJFHSA-N 1 0 324.468 3.370 20 10 DGCDRO CCS[C@H]1CCCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000153114407 620533702 /nfs/dbraw/zinc/53/37/02/620533702.db2.gz MBYLSTAEUCVRJZ-ZDUSSCGKSA-N 1 0 309.431 3.229 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000914567431 620542597 /nfs/dbraw/zinc/54/25/97/620542597.db2.gz ZCPRBZPTZJGJPU-UHFFFAOYSA-N 1 0 317.429 3.046 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000915831911 620600859 /nfs/dbraw/zinc/60/08/59/620600859.db2.gz AIJVTPUDTPHGGS-UHFFFAOYSA-N 1 0 313.397 3.412 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1 ZINC000788073925 620893088 /nfs/dbraw/zinc/89/30/88/620893088.db2.gz ATMXTLOJPAMLHY-MRXNPFEDSA-N 1 0 317.433 3.054 20 10 DGCDRO CC(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccnn1C ZINC000788074818 620893661 /nfs/dbraw/zinc/89/36/61/620893661.db2.gz DTKHLYHRCATNAE-LBPRGKRZSA-N 1 0 307.825 3.309 20 10 DGCDRO CCNC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921533015 620903414 /nfs/dbraw/zinc/90/34/14/620903414.db2.gz DQGUCOLQODYCKS-UHFFFAOYSA-N 1 0 324.424 3.051 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000113335980 620904565 /nfs/dbraw/zinc/90/45/65/620904565.db2.gz XPLONRMUCFXGIE-UHFFFAOYSA-N 1 0 317.364 3.132 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000113359211 620905585 /nfs/dbraw/zinc/90/55/85/620905585.db2.gz VYBUTCZISHTOBI-OAHLLOKOSA-N 1 0 320.820 3.393 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1F ZINC000921622700 620916838 /nfs/dbraw/zinc/91/68/38/620916838.db2.gz GMLWMWJVPNIRHB-BZUAXINKSA-N 1 0 306.425 3.187 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)Nc1ccccc1 ZINC000921731719 620940936 /nfs/dbraw/zinc/94/09/36/620940936.db2.gz NERVBULPBPOPSY-CQSZACIVSA-N 1 0 310.397 3.128 20 10 DGCDRO O=c1[nH]c2cccc(C[NH2+]CCCSc3nccs3)c2o1 ZINC000921754142 620944766 /nfs/dbraw/zinc/94/47/66/620944766.db2.gz JONMONFJBLKMRP-UHFFFAOYSA-N 1 0 321.427 3.262 20 10 DGCDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921934529 620969925 /nfs/dbraw/zinc/96/99/25/620969925.db2.gz DZASHRWUAMIVER-IBGZPJMESA-N 1 0 308.425 3.288 20 10 DGCDRO OCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1F ZINC000922213206 621006563 /nfs/dbraw/zinc/00/65/63/621006563.db2.gz ZALJSBRDKRALFI-GOSISDBHSA-N 1 0 315.388 3.364 20 10 DGCDRO c1ccc2c(CC[NH2+]Cc3ccc4c(c3)CCCO4)noc2c1 ZINC000922234694 621010460 /nfs/dbraw/zinc/01/04/60/621010460.db2.gz MTVBZTAHIMRMCP-UHFFFAOYSA-N 1 0 308.381 3.485 20 10 DGCDRO COc1ccc(F)c(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922271338 621015415 /nfs/dbraw/zinc/01/54/15/621015415.db2.gz RKYAIECHBBLEHK-UHFFFAOYSA-N 1 0 301.361 3.449 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC[C@@H]3CC3(F)F)CC2)cc1 ZINC000856802207 621023503 /nfs/dbraw/zinc/02/35/03/621023503.db2.gz DHJHCZLPIAMMDB-CYBMUJFWSA-N 1 0 310.388 3.299 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@]34C[C@H]3CCCC4)cc2)CC1 ZINC000922428604 621037203 /nfs/dbraw/zinc/03/72/03/621037203.db2.gz LCHTXFMJENLEBA-XLIONFOSSA-N 1 0 314.473 3.318 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)cc1C ZINC000922463917 621041615 /nfs/dbraw/zinc/04/16/15/621041615.db2.gz SWSVMFAWXVMDJY-TZMCWYRMSA-N 1 0 303.324 3.203 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCc2nc3c(s2)CCC3)cc1 ZINC000922718508 621089482 /nfs/dbraw/zinc/08/94/82/621089482.db2.gz WHCQQRGPMZIZLG-UHFFFAOYSA-N 1 0 301.459 3.030 20 10 DGCDRO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757943 621117968 /nfs/dbraw/zinc/11/79/68/621117968.db2.gz XQBPYXZWVCXMOD-JKSUJKDBSA-N 1 0 319.493 3.268 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1O ZINC000922895048 621123761 /nfs/dbraw/zinc/12/37/61/621123761.db2.gz NLMVARZUWLHWKU-MRXNPFEDSA-N 1 0 303.406 3.011 20 10 DGCDRO CCOCCOCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000922940154 621133714 /nfs/dbraw/zinc/13/37/14/621133714.db2.gz APDGKBHFFKNEAQ-UHFFFAOYSA-N 1 0 315.413 3.202 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCCSC2)cc1F ZINC000858163768 621160732 /nfs/dbraw/zinc/16/07/32/621160732.db2.gz JMWMIGBLTKHGME-LLVKDONJSA-N 1 0 300.418 3.264 20 10 DGCDRO CC[C@H]([NH2+]Cc1c(O)cccc1Br)[C@@H](O)C(C)C ZINC000858177851 621161587 /nfs/dbraw/zinc/16/15/87/621161587.db2.gz HIVRWMSGMYKUOY-JSGCOSHPSA-N 1 0 316.239 3.040 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)OCC2CC2)cc1F ZINC000858177859 621161604 /nfs/dbraw/zinc/16/16/04/621161604.db2.gz HKAFGFBMZMXJRJ-UHFFFAOYSA-N 1 0 312.404 3.326 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCN2CC(F)F)c(Cl)c1 ZINC000858232056 621166752 /nfs/dbraw/zinc/16/67/52/621166752.db2.gz SHFNOXBKLRNYQW-NSHDSACASA-N 1 0 318.795 3.173 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000858237623 621167042 /nfs/dbraw/zinc/16/70/42/621167042.db2.gz NQISMFWZYBBHAO-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2cc(C)ccc2O)c1C ZINC000858239383 621167265 /nfs/dbraw/zinc/16/72/65/621167265.db2.gz MZKSKHNWTKLBCI-UHFFFAOYSA-N 1 0 316.401 3.112 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000858286208 621171966 /nfs/dbraw/zinc/17/19/66/621171966.db2.gz UUQCXUXSFUZVJB-PRPIBZDOSA-N 1 0 313.489 3.372 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccns3)CC2)cc1 ZINC000858318666 621175149 /nfs/dbraw/zinc/17/51/49/621175149.db2.gz SEYWBGHWPCUYRN-CYBMUJFWSA-N 1 0 317.458 3.471 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(N(C)C)cc1 ZINC000858478898 621196220 /nfs/dbraw/zinc/19/62/20/621196220.db2.gz DQAFGZJNIUFDBY-BBRMVZONSA-N 1 0 311.420 3.133 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000858504249 621198892 /nfs/dbraw/zinc/19/88/92/621198892.db2.gz NPTCDNCDXSKDAC-BBRMVZONSA-N 1 0 302.418 3.055 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000858505898 621199719 /nfs/dbraw/zinc/19/97/19/621199719.db2.gz CDLUQKAJSZPTGV-ZFWWWQNUSA-N 1 0 303.402 3.312 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(N(C)C)cc1 ZINC000858528898 621201836 /nfs/dbraw/zinc/20/18/36/621201836.db2.gz HBUTUKKSTSTCOC-LIRRHRJNSA-N 1 0 323.440 3.230 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858546066 621203779 /nfs/dbraw/zinc/20/37/79/621203779.db2.gz YHXGIGUSBXVCEI-FMKPAKJESA-N 1 0 306.425 3.238 20 10 DGCDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000858585354 621207101 /nfs/dbraw/zinc/20/71/01/621207101.db2.gz FVMHXUXOLNNRJW-UMVBOHGHSA-N 1 0 324.852 3.005 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccccc1O ZINC000858594414 621208114 /nfs/dbraw/zinc/20/81/14/621208114.db2.gz DFLPMRIWDHRCAL-NVXWUHKLSA-N 1 0 315.413 3.011 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858602559 621209174 /nfs/dbraw/zinc/20/91/74/621209174.db2.gz BVOKXQAFTZPJOO-XHDPSFHLSA-N 1 0 322.836 3.158 20 10 DGCDRO Cc1ncc(C[NH2+][C@H](C)c2ccc(Br)cc2O)o1 ZINC000840794068 621266242 /nfs/dbraw/zinc/26/62/42/621266242.db2.gz CITPLIXQWCOARC-MRVPVSSYSA-N 1 0 311.179 3.302 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(C2CC2)nc1 ZINC000838781860 621279443 /nfs/dbraw/zinc/27/94/43/621279443.db2.gz UCCUGMUSQJWFQV-UHFFFAOYSA-N 1 0 310.445 3.442 20 10 DGCDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145542 621332415 /nfs/dbraw/zinc/33/24/15/621332415.db2.gz PZQWGNRCRKCODF-CZUORRHYSA-N 1 0 310.388 3.080 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC000839148047 621332829 /nfs/dbraw/zinc/33/28/29/621332829.db2.gz VRLFRBUVTIJEQX-BETUJISGSA-N 1 0 314.223 3.120 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C(C)C ZINC000839146702 621332885 /nfs/dbraw/zinc/33/28/85/621332885.db2.gz RLAQYMDEBBHYSI-INIZCTEOSA-N 1 0 312.404 3.326 20 10 DGCDRO CC1(C)CCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146462 621332986 /nfs/dbraw/zinc/33/29/86/621332986.db2.gz IMXOLPCLMFFGCO-MRXNPFEDSA-N 1 0 324.415 3.470 20 10 DGCDRO COc1cccc(C[NH+]2CC(Cc3ccc(F)cc3)C2)c1O ZINC000839134513 621338883 /nfs/dbraw/zinc/33/88/83/621338883.db2.gz MDFLHNXZKFZEGG-UHFFFAOYSA-N 1 0 301.361 3.214 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)c1O ZINC000839140323 621340588 /nfs/dbraw/zinc/34/05/88/621340588.db2.gz PCRMVBLHHSPHOO-HNNXBMFYSA-N 1 0 323.820 3.128 20 10 DGCDRO CCOc1ccc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000839192026 621347117 /nfs/dbraw/zinc/34/71/17/621347117.db2.gz GEVGYHZQQCUVQR-CYBMUJFWSA-N 1 0 323.433 3.201 20 10 DGCDRO COC(=O)C1C[C@@H](C)[NH+](Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000860189864 621379152 /nfs/dbraw/zinc/37/91/52/621379152.db2.gz MOFXPKJUPSSTBM-HUUCEWRRSA-N 1 0 318.461 3.223 20 10 DGCDRO Oc1ccccc1C[N@H+](CCC1(O)CCC1)Cc1ccco1 ZINC000839517843 621381018 /nfs/dbraw/zinc/38/10/18/621381018.db2.gz WBPKCLPVUUUQND-UHFFFAOYSA-N 1 0 301.386 3.293 20 10 DGCDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753571783 621450026 /nfs/dbraw/zinc/45/00/26/621450026.db2.gz XNDNPWROZYQONY-HUUCEWRRSA-N 1 0 315.413 3.220 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CC=CCC1 ZINC000753577374 621450458 /nfs/dbraw/zinc/45/04/58/621450458.db2.gz UDELOGYVTMPRAF-MRXNPFEDSA-N 1 0 318.436 3.450 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCC(=O)C(C)(C)C)CC2)cc1 ZINC000753705035 621460999 /nfs/dbraw/zinc/46/09/99/621460999.db2.gz KATLOIODKDVUNF-UHFFFAOYSA-N 1 0 318.461 3.213 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1F ZINC000753857001 621468773 /nfs/dbraw/zinc/46/87/73/621468773.db2.gz HHYHVGUJTBCZHU-UHFFFAOYSA-N 1 0 314.404 3.465 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c1O ZINC000754728016 621528465 /nfs/dbraw/zinc/52/84/65/621528465.db2.gz VDFQYPDMPJQDOJ-AWEZNQCLSA-N 1 0 302.374 3.343 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CCOCC3)C1)CCC2 ZINC000754786432 621532869 /nfs/dbraw/zinc/53/28/69/621532869.db2.gz UYSDCPMGYNBNAP-KRWDZBQOSA-N 1 0 301.430 3.129 20 10 DGCDRO Oc1cccc(Br)c1C[N@@H+]1CCCSCC1 ZINC000862302543 621573854 /nfs/dbraw/zinc/57/38/54/621573854.db2.gz VWFYIBGNMJHELC-UHFFFAOYSA-N 1 0 302.237 3.094 20 10 DGCDRO CN(C)c1cc(F)c(CNc2cc(C[NH+](C)C)ccn2)cc1F ZINC000862303419 621573896 /nfs/dbraw/zinc/57/38/96/621573896.db2.gz RSCJCOYFWXLSSN-UHFFFAOYSA-N 1 0 320.387 3.100 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)CCS1 ZINC000862346010 621576092 /nfs/dbraw/zinc/57/60/92/621576092.db2.gz JSVZDLIFJRJOCD-SNVBAGLBSA-N 1 0 316.264 3.482 20 10 DGCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862365192 621579641 /nfs/dbraw/zinc/57/96/41/621579641.db2.gz LZHQJFNNZNGKFH-ZFWWWQNUSA-N 1 0 323.431 3.089 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(N2CCOCC2)c(F)c1 ZINC000118945912 621591530 /nfs/dbraw/zinc/59/15/30/621591530.db2.gz FTKBJADWNKZXIL-UKRRQHHQSA-N 1 0 324.465 3.209 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C[C@H]1C ZINC000862476444 621593383 /nfs/dbraw/zinc/59/33/83/621593383.db2.gz UJKRBFJVARDGRB-VNQPRFMTSA-N 1 0 305.418 3.158 20 10 DGCDRO O=C1C[C@]2(CCC[N@@H+](Cc3ccccc3O)C2)Oc2ccccc21 ZINC000862481500 621593566 /nfs/dbraw/zinc/59/35/66/621593566.db2.gz IDQQZNLTUOBIQQ-FQEVSTJZSA-N 1 0 323.392 3.392 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862486099 621594833 /nfs/dbraw/zinc/59/48/33/621594833.db2.gz VNOZKPUCBAGRSY-HIFRSBDPSA-N 1 0 305.418 3.192 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000862526796 621596313 /nfs/dbraw/zinc/59/63/13/621596313.db2.gz DSVPFOXUEAOYDY-KGVIQGDOSA-N 1 0 320.502 3.018 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)CCCNC(=O)OC(C)(C)C)cc1C ZINC000118964421 621602275 /nfs/dbraw/zinc/60/22/75/621602275.db2.gz VKDUQOTYLQZVQT-UHFFFAOYSA-N 1 0 322.449 3.356 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(Br)cc1O ZINC000756343608 621629420 /nfs/dbraw/zinc/62/94/20/621629420.db2.gz PRVWQFKSUXHCOO-SNVBAGLBSA-N 1 0 315.255 3.146 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCCCC2=O)c(O)c1C ZINC000756369944 621632179 /nfs/dbraw/zinc/63/21/79/621632179.db2.gz DYMFPVYYPQPDSM-INIZCTEOSA-N 1 0 318.461 3.452 20 10 DGCDRO COc1ccccc1OCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756374076 621632795 /nfs/dbraw/zinc/63/27/95/621632795.db2.gz XSPRNAOUJSAUDB-CQSZACIVSA-N 1 0 301.386 3.439 20 10 DGCDRO CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756393716 621634735 /nfs/dbraw/zinc/63/47/35/621634735.db2.gz TULCOGPYRITYFS-GFCCVEGCSA-N 1 0 312.404 3.441 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2)c(O)c1C ZINC000756394833 621635191 /nfs/dbraw/zinc/63/51/91/621635191.db2.gz AHWUKSWOGAUOEI-HOTGVXAUSA-N 1 0 315.413 3.100 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c(O)c1C ZINC000756398951 621635621 /nfs/dbraw/zinc/63/56/21/621635621.db2.gz KTGMGWHGUVRZJW-AWEZNQCLSA-N 1 0 316.445 3.061 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756415882 621636943 /nfs/dbraw/zinc/63/69/43/621636943.db2.gz LTNUOLDRJOCPGU-GXTWGEPZSA-N 1 0 322.424 3.318 20 10 DGCDRO C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756431626 621638263 /nfs/dbraw/zinc/63/82/63/621638263.db2.gz CQAWYVQPOOGYLZ-NSHDSACASA-N 1 0 310.388 3.195 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c(O)c1C ZINC000756475895 621640829 /nfs/dbraw/zinc/64/08/29/621640829.db2.gz PKLJIUOGZCNRNE-CVEARBPZSA-N 1 0 324.424 3.465 20 10 DGCDRO CNC(=O)C1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000756491138 621641450 /nfs/dbraw/zinc/64/14/50/621641450.db2.gz YKGYBEVCAQXNEF-XSRFYTQQSA-N 1 0 310.825 3.001 20 10 DGCDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756498625 621642602 /nfs/dbraw/zinc/64/26/02/621642602.db2.gz VQUQYLGRCUAXSN-JQWIXIFHSA-N 1 0 316.239 3.212 20 10 DGCDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756498628 621642522 /nfs/dbraw/zinc/64/25/22/621642522.db2.gz VQUQYLGRCUAXSN-PWSUYJOCSA-N 1 0 316.239 3.212 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(O)c1C ZINC000756503403 621643168 /nfs/dbraw/zinc/64/31/68/621643168.db2.gz NIAHEUICACEJGB-STQMWFEESA-N 1 0 316.367 3.296 20 10 DGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756537079 621646037 /nfs/dbraw/zinc/64/60/37/621646037.db2.gz ZTFNCEFKNIIUOV-BFVZDQMLSA-N 1 0 303.381 3.472 20 10 DGCDRO C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(F)ccc1O ZINC000756539933 621646438 /nfs/dbraw/zinc/64/64/38/621646438.db2.gz XINQUSWTVUSQHF-VIFPVBQESA-N 1 0 317.286 3.141 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)c2c1c(F)ccc2O ZINC000756547327 621647047 /nfs/dbraw/zinc/64/70/47/621647047.db2.gz AVSUZJJKXFHLLN-IAQYHMDHSA-N 1 0 301.361 3.362 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)c2c1c(F)ccc2O ZINC000756547325 621647195 /nfs/dbraw/zinc/64/71/95/621647195.db2.gz AVSUZJJKXFHLLN-ABAIWWIYSA-N 1 0 301.361 3.362 20 10 DGCDRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000756562080 621649158 /nfs/dbraw/zinc/64/91/58/621649158.db2.gz FTZAGCLPUXMWPZ-CABCVRRESA-N 1 0 315.413 3.249 20 10 DGCDRO C[C@@H]([NH2+]CCOc1cccnc1)c1cc2c(cc1O)CCCC2 ZINC000756571659 621649995 /nfs/dbraw/zinc/64/99/95/621649995.db2.gz IGIMTHRBOAUGDA-CQSZACIVSA-N 1 0 312.413 3.396 20 10 DGCDRO C[C@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)c2c1c(F)ccc2O ZINC000756584856 621651223 /nfs/dbraw/zinc/65/12/23/621651223.db2.gz HDTJTWQPBFDWFW-TUKIKUTGSA-N 1 0 301.361 3.403 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c2c1c(F)ccc2O ZINC000756606027 621652335 /nfs/dbraw/zinc/65/23/35/621652335.db2.gz KPZAEMYEKBGOKA-NFOJOHSHSA-N 1 0 305.393 3.483 20 10 DGCDRO CC(C)[NH+](CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756626746 621653621 /nfs/dbraw/zinc/65/36/21/621653621.db2.gz CDZKDXPXGGRAPD-CQSZACIVSA-N 1 0 323.437 3.460 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2ccccc2C)c1 ZINC000756635832 621654641 /nfs/dbraw/zinc/65/46/41/621654641.db2.gz HRVXHPBRWMEZRH-CXAGYDPISA-N 1 0 301.386 3.093 20 10 DGCDRO COC(C)(C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756645636 621655555 /nfs/dbraw/zinc/65/55/55/621655555.db2.gz HFMKJKFSDAJKIW-VIFPVBQESA-N 1 0 302.212 3.230 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000756685502 621658356 /nfs/dbraw/zinc/65/83/56/621658356.db2.gz QPWUNWXEMVTBGY-CYBMUJFWSA-N 1 0 318.461 3.226 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756710079 621659473 /nfs/dbraw/zinc/65/94/73/621659473.db2.gz ABGHMLAIBZTLQW-XHDPSFHLSA-N 1 0 321.804 3.438 20 10 DGCDRO COCCOC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000756731517 621661095 /nfs/dbraw/zinc/66/10/95/621661095.db2.gz BZGKGOXSVXDJOA-UONOGXRCSA-N 1 0 303.402 3.248 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCOc2ncccc2F)c2c1c(F)ccc2O ZINC000756761886 621662580 /nfs/dbraw/zinc/66/25/80/621662580.db2.gz RQZOUXDYTWPEIJ-GWCFXTLKSA-N 1 0 320.339 3.282 20 10 DGCDRO C[C@@H](CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[S@@](C)=O ZINC000756763192 621662759 /nfs/dbraw/zinc/66/27/59/621662759.db2.gz VHLFSKYDFBAORW-OYMPBJRDSA-N 1 0 309.475 3.079 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)n2)c2c1c(F)ccc2O ZINC000756770276 621663298 /nfs/dbraw/zinc/66/32/98/621663298.db2.gz VTVSXOOMLYOEDW-SMDDNHRTSA-N 1 0 315.392 3.330 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(O)c1C ZINC000756764429 621663476 /nfs/dbraw/zinc/66/34/76/621663476.db2.gz IYWOCEYUKBNVRD-JKSUJKDBSA-N 1 0 319.445 3.388 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000863337007 621663817 /nfs/dbraw/zinc/66/38/17/621663817.db2.gz XGFCHVGEDZRQMI-CQSZACIVSA-N 1 0 322.449 3.354 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c2c1c(F)ccc2O ZINC000756783443 621664358 /nfs/dbraw/zinc/66/43/58/621664358.db2.gz YWNAAJKEUBBBMM-LSIMKLPESA-N 1 0 321.392 3.007 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000756887128 621670319 /nfs/dbraw/zinc/67/03/19/621670319.db2.gz MWMNGURSNYHQMX-BBRMVZONSA-N 1 0 319.445 3.396 20 10 DGCDRO OC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756994736 621677941 /nfs/dbraw/zinc/67/79/41/621677941.db2.gz YXQGPFUBRKWANL-AWEZNQCLSA-N 1 0 316.367 3.080 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)ccc1N(C)C ZINC000839638304 621707031 /nfs/dbraw/zinc/70/70/31/621707031.db2.gz ZMWCKTOKFRDRGB-AZUAARDMSA-N 1 0 310.441 3.369 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC(C)(C)CC[C@H]2CO)cc1F ZINC000864053898 621732563 /nfs/dbraw/zinc/73/25/63/621732563.db2.gz PTHMSXBLYRVNKV-ZDUSSCGKSA-N 1 0 312.404 3.014 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1F ZINC000864053443 621732631 /nfs/dbraw/zinc/73/26/31/621732631.db2.gz KQFSYKHWRJZIEW-FZKQIMNGSA-N 1 0 324.415 3.326 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCCOC3)CCCC2 ZINC000789543666 625522174 /nfs/dbraw/zinc/52/21/74/625522174.db2.gz WIUVSHGPIKDWMN-IBGZPJMESA-N 1 0 301.430 3.274 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)CC2(C)OCCO2)c(Cl)c1 ZINC000865672437 621975782 /nfs/dbraw/zinc/97/57/82/621975782.db2.gz KFWKMCQSDFEVLY-LBPRGKRZSA-N 1 0 313.825 3.233 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)ccc1OC ZINC000865699613 621980063 /nfs/dbraw/zinc/98/00/63/621980063.db2.gz CTLCFRQDAUEOLR-IAGOWNOFSA-N 1 0 321.461 3.261 20 10 DGCDRO C[NH+]1CCC(n2cc(NCc3cc(Cl)ccc3O)cn2)CC1 ZINC000865703035 621980210 /nfs/dbraw/zinc/98/02/10/621980210.db2.gz IWKYMFAVLRMSIX-UHFFFAOYSA-N 1 0 320.824 3.121 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1C ZINC000865711674 621981632 /nfs/dbraw/zinc/98/16/32/621981632.db2.gz PXHGHACGEYZJDA-KBPBESRZSA-N 1 0 305.340 3.046 20 10 DGCDRO C[N@H+](Cc1ccccc1O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761192360 621993159 /nfs/dbraw/zinc/99/31/59/621993159.db2.gz LJKFKATWHSKXKX-UHFFFAOYSA-N 1 0 308.422 3.127 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2ccncc2)c1O ZINC000761207830 621994172 /nfs/dbraw/zinc/99/41/72/621994172.db2.gz TWDRDRXOTMLUBX-NSHDSACASA-N 1 0 306.793 3.170 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)COC3)c1O ZINC000761214357 621994840 /nfs/dbraw/zinc/99/48/40/621994840.db2.gz CNXSUJRUYRADHU-UHFFFAOYSA-N 1 0 319.788 3.374 20 10 DGCDRO Cc1csc(CN(C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000761221299 621995382 /nfs/dbraw/zinc/99/53/82/621995382.db2.gz DJGUAQKOZOELQJ-UHFFFAOYSA-N 1 0 305.447 3.028 20 10 DGCDRO CCc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000761223925 621995469 /nfs/dbraw/zinc/99/54/69/621995469.db2.gz VGGGSOCWQPCMOL-UHFFFAOYSA-N 1 0 302.418 3.419 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H]2c3ccccc3CN2C)c(O)c1 ZINC000865806673 621998552 /nfs/dbraw/zinc/99/85/52/621998552.db2.gz MLAJKKXAJHUVJZ-GOSISDBHSA-N 1 0 312.413 3.067 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cn(C)c3ncccc23)cc1C ZINC000865811576 621999424 /nfs/dbraw/zinc/99/94/24/621999424.db2.gz DKSYZZWMEQVNHC-UHFFFAOYSA-N 1 0 309.413 3.223 20 10 DGCDRO CCOCc1cc(C[NH2+][C@]23CCC[C@H]2OCC3)ccc1OC ZINC000865858808 622010106 /nfs/dbraw/zinc/01/01/06/622010106.db2.gz HWSZFHQFVMLNGU-MSOLQXFVSA-N 1 0 305.418 3.033 20 10 DGCDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000865876040 622013566 /nfs/dbraw/zinc/01/35/66/622013566.db2.gz HPPUVIRSKRMTMJ-OCCSQVGLSA-N 1 0 309.450 3.337 20 10 DGCDRO Cn1nccc1CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000762556753 622083670 /nfs/dbraw/zinc/08/36/70/622083670.db2.gz QNZOTMZNUVEHSM-UHFFFAOYSA-N 1 0 307.397 3.125 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(Br)cc1O ZINC000762647195 622088625 /nfs/dbraw/zinc/08/86/25/622088625.db2.gz FGVDWTUHLHIFKN-GBIKHYSHSA-N 1 0 314.223 3.230 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(C(F)(F)F)cc1O ZINC000866415910 622114396 /nfs/dbraw/zinc/11/43/96/622114396.db2.gz IDMGZYPYQBRDCG-NDMJEZRESA-N 1 0 303.324 3.223 20 10 DGCDRO C[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)CC1(C)OCCO1 ZINC000866426271 622116392 /nfs/dbraw/zinc/11/63/92/622116392.db2.gz XIUMRJLXNNQFQZ-SGMGOOAPSA-N 1 0 323.408 3.458 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000866444832 622119682 /nfs/dbraw/zinc/11/96/82/622119682.db2.gz KORJKWXVXNENAP-JAVISRFCSA-N 1 0 300.446 3.217 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000866527122 622131765 /nfs/dbraw/zinc/13/17/65/622131765.db2.gz VDKGRCHCACNUJH-RWMBFGLXSA-N 1 0 321.417 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000866539262 622134951 /nfs/dbraw/zinc/13/49/51/622134951.db2.gz AKMOUUPSYQQDEL-LBPRGKRZSA-N 1 0 316.357 3.468 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1O ZINC000866539845 622134963 /nfs/dbraw/zinc/13/49/63/622134963.db2.gz QFXYSTKYYCUGAT-NOLJZWGESA-N 1 0 305.418 3.114 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1 ZINC000763533060 622150682 /nfs/dbraw/zinc/15/06/82/622150682.db2.gz YYADCPKSIFBOFW-PBHICJAKSA-N 1 0 307.434 3.474 20 10 DGCDRO Oc1cccc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1 ZINC000121636148 622167558 /nfs/dbraw/zinc/16/75/58/622167558.db2.gz OGPBESUWLYLXOX-UHFFFAOYSA-N 1 0 318.804 3.073 20 10 DGCDRO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1O ZINC000868012527 622204557 /nfs/dbraw/zinc/20/45/57/622204557.db2.gz PHTHMKRUPHEDMP-LBPRGKRZSA-N 1 0 319.449 3.062 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000764643594 622209845 /nfs/dbraw/zinc/20/98/45/622209845.db2.gz ZWQQFNPMNJQJKE-AWEZNQCLSA-N 1 0 312.413 3.375 20 10 DGCDRO CCC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000868164352 622220563 /nfs/dbraw/zinc/22/05/63/622220563.db2.gz WYHCIJDJWMLQIQ-UHFFFAOYSA-N 1 0 316.449 3.141 20 10 DGCDRO C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1O ZINC000868264759 622229407 /nfs/dbraw/zinc/22/94/07/622229407.db2.gz UWPTUKVJPCMXJE-XJKSGUPXSA-N 1 0 321.465 3.119 20 10 DGCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765287480 622257064 /nfs/dbraw/zinc/25/70/64/622257064.db2.gz QBJFQPUBHUHTRW-CRAIPNDOSA-N 1 0 320.452 3.455 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000765632346 622278460 /nfs/dbraw/zinc/27/84/60/622278460.db2.gz ZRJJBWJAADKNDY-NVXWUHKLSA-N 1 0 319.449 3.024 20 10 DGCDRO CC[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000765925926 622294751 /nfs/dbraw/zinc/29/47/51/622294751.db2.gz GMFMRUVKEJTOHY-OAHLLOKOSA-N 1 0 317.399 3.287 20 10 DGCDRO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765935492 622295108 /nfs/dbraw/zinc/29/51/08/622295108.db2.gz GGWKHRUZTXWTAY-QVKFZJNVSA-N 1 0 308.491 3.096 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000766028781 622301212 /nfs/dbraw/zinc/30/12/12/622301212.db2.gz FXZWNZJQZSSGHB-FQEVSTJZSA-N 1 0 323.484 3.425 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000766089351 622305012 /nfs/dbraw/zinc/30/50/12/622305012.db2.gz QIYJDPUXVMTXMM-IRXDYDNUSA-N 1 0 307.434 3.473 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)cc1 ZINC000766438411 622330142 /nfs/dbraw/zinc/33/01/42/622330142.db2.gz LEFNUDOJFFBEFW-YJBOKZPZSA-N 1 0 321.534 3.231 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H](OC)C3(C)C)CC2)cc1 ZINC000766526917 622336867 /nfs/dbraw/zinc/33/68/67/622336867.db2.gz FLGCZBVSIWQFRQ-QZTJIDSGSA-N 1 0 318.461 3.067 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@@H]3SC)CC2)cc1 ZINC000766600828 622341405 /nfs/dbraw/zinc/34/14/05/622341405.db2.gz GVUSPJLGNWSBLD-IRXDYDNUSA-N 1 0 306.475 3.148 20 10 DGCDRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1c(O)cccc1Cl)C2 ZINC000767418173 622397290 /nfs/dbraw/zinc/39/72/90/622397290.db2.gz UYLWVLXRAWIWNM-GFCCVEGCSA-N 1 0 319.788 3.148 20 10 DGCDRO CCC1(CC)C[N@H+](Cc2cc3c(cc2O)OCO3)CCS1 ZINC000767477971 622401477 /nfs/dbraw/zinc/40/14/77/622401477.db2.gz DVRAIWPKTLVHNS-UHFFFAOYSA-N 1 0 309.431 3.229 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccccc1O ZINC000789777525 625564926 /nfs/dbraw/zinc/56/49/26/625564926.db2.gz WMAXWJUAERDDGB-IRXDYDNUSA-N 1 0 311.381 3.271 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c(O)c1 ZINC000767927134 622428890 /nfs/dbraw/zinc/42/88/90/622428890.db2.gz ORZQPXCFPLKZLX-OAHLLOKOSA-N 1 0 305.418 3.372 20 10 DGCDRO CCOC(=O)CC1([NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC000789780278 625565773 /nfs/dbraw/zinc/56/57/73/625565773.db2.gz USFVJKHIYHVQRU-UHFFFAOYSA-N 1 0 305.418 3.359 20 10 DGCDRO CCOc1ccc(C[N@H+](C)CCOc2ccccc2F)c(O)c1 ZINC000768214089 622445475 /nfs/dbraw/zinc/44/54/75/622445475.db2.gz ZHKBUSMIKQVYED-UHFFFAOYSA-N 1 0 319.376 3.441 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(CCO)CC2)cc1F ZINC000768237391 622447224 /nfs/dbraw/zinc/44/72/24/622447224.db2.gz QTSYEGNDFQIOQD-UHFFFAOYSA-N 1 0 308.441 3.266 20 10 DGCDRO CC(C)[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768437806 622455526 /nfs/dbraw/zinc/45/55/26/622455526.db2.gz IKCSKMOWLBAMGG-GOSISDBHSA-N 1 0 313.397 3.229 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c(O)cc1C ZINC000768438986 622455558 /nfs/dbraw/zinc/45/55/58/622455558.db2.gz DSDWYQWYNFKRFJ-AWEZNQCLSA-N 1 0 302.374 3.343 20 10 DGCDRO CCc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768437965 622455598 /nfs/dbraw/zinc/45/55/98/622455598.db2.gz LOHDTICFSOIXGA-GOSISDBHSA-N 1 0 313.397 3.012 20 10 DGCDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000768443048 622456077 /nfs/dbraw/zinc/45/60/77/622456077.db2.gz YBQMOZWONSGMHX-RHSMWYFYSA-N 1 0 324.424 3.145 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](C1CC1)C1CCCCC1)[C@H](O)CO2 ZINC000768439230 622456121 /nfs/dbraw/zinc/45/61/21/622456121.db2.gz JBLKKOHSCPDWGZ-QGZVFWFLSA-N 1 0 303.402 3.115 20 10 DGCDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444547 622456249 /nfs/dbraw/zinc/45/62/49/622456249.db2.gz CNFFTPZZKHGOHG-XGWLTEMNSA-N 1 0 305.418 3.219 20 10 DGCDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464124 622458017 /nfs/dbraw/zinc/45/80/17/622458017.db2.gz ZYSOYWKFQHXDMQ-NUTKFTJISA-N 1 0 305.418 3.219 20 10 DGCDRO COc1cc(C[N@@H+]2CCCC3(CCOCC3)C2)c(O)cc1C ZINC000768466225 622458791 /nfs/dbraw/zinc/45/87/91/622458791.db2.gz PLAZXSFFBKJUHQ-UHFFFAOYSA-N 1 0 305.418 3.102 20 10 DGCDRO CCC[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466509 622458841 /nfs/dbraw/zinc/45/88/41/622458841.db2.gz QWYRYNFBRUWEIA-WMZOPIPTSA-N 1 0 305.418 3.220 20 10 DGCDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000768893476 622483944 /nfs/dbraw/zinc/48/39/44/622483944.db2.gz RLOGGSWQCQKSTO-CYBMUJFWSA-N 1 0 305.805 3.429 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000769022278 622493066 /nfs/dbraw/zinc/49/30/66/622493066.db2.gz KFDMWZYBPLIYKR-LJQANCHMSA-N 1 0 313.397 3.147 20 10 DGCDRO Oc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)cc1 ZINC000769106876 622499169 /nfs/dbraw/zinc/49/91/69/622499169.db2.gz PZIJXFAHGJRIDZ-HNNXBMFYSA-N 1 0 313.353 3.164 20 10 DGCDRO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@H](C)S1 ZINC000769141826 622501873 /nfs/dbraw/zinc/50/18/73/622501873.db2.gz MQEPCMWBCNMCSU-AOOOYVTPSA-N 1 0 316.264 3.481 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769148937 622502305 /nfs/dbraw/zinc/50/23/05/622502305.db2.gz VQACGKHSOUASMC-HNNXBMFYSA-N 1 0 306.425 3.284 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000769301145 622515347 /nfs/dbraw/zinc/51/53/47/622515347.db2.gz MDLZUJCFKNZBEJ-GOSISDBHSA-N 1 0 318.461 3.260 20 10 DGCDRO COc1cccc(O)c1CN(C)Cc1c(C)nc2sccn21 ZINC000769306602 622515682 /nfs/dbraw/zinc/51/56/82/622515682.db2.gz AOHIPKCCQLFOLE-UHFFFAOYSA-N 1 0 317.414 3.050 20 10 DGCDRO CCOc1ccc(C[N@H+](CCCO)Cc2ccccc2)c(O)c1 ZINC000769325761 622517589 /nfs/dbraw/zinc/51/75/89/622517589.db2.gz AQYZYMSEMRHHRK-UHFFFAOYSA-N 1 0 315.413 3.176 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000769397255 622524364 /nfs/dbraw/zinc/52/43/64/622524364.db2.gz OFOSGEMQMHHQQM-AWEZNQCLSA-N 1 0 320.433 3.142 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[NH+](C3CCC3)CC2)cc1 ZINC000769413471 622525625 /nfs/dbraw/zinc/52/56/25/622525625.db2.gz RILMHAPQVDKMSE-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO COc1ccc(N2CC[NH+](CCc3ccccc3F)CC2)cc1 ZINC000769434549 622527693 /nfs/dbraw/zinc/52/76/93/622527693.db2.gz HKJRQRRUYIAEPB-UHFFFAOYSA-N 1 0 314.404 3.199 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1O ZINC000769485200 622532820 /nfs/dbraw/zinc/53/28/20/622532820.db2.gz LUFRJDUVELMBIS-SFHVURJKSA-N 1 0 305.418 3.184 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)[C@@H](CC)CN1C(C)=O ZINC000769499192 622534460 /nfs/dbraw/zinc/53/44/60/622534460.db2.gz YJOVVNAERUKSDY-ZWKOTPCHSA-N 1 0 318.461 3.230 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000769513669 622536673 /nfs/dbraw/zinc/53/66/73/622536673.db2.gz FJUQBNOZNXYQIB-UHFFFAOYSA-N 1 0 305.418 3.326 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@H+](C)C[C@@H](C)C(=O)NC)cc1 ZINC000769570143 622541263 /nfs/dbraw/zinc/54/12/63/622541263.db2.gz XGGGECKSKIXVKI-MRXNPFEDSA-N 1 0 319.493 3.127 20 10 DGCDRO CCn1nc(C[NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC000769909545 622574804 /nfs/dbraw/zinc/57/48/04/622574804.db2.gz BQRGZWLRMNWJBM-UHFFFAOYSA-N 1 0 307.397 3.281 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2(CO)CCCC2)cc1F ZINC000769935699 622578472 /nfs/dbraw/zinc/57/84/72/622578472.db2.gz PAUWRBHZGCKIST-UHFFFAOYSA-N 1 0 308.441 3.314 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2cc(Cl)cn2C)c(O)c1 ZINC000770304964 622619868 /nfs/dbraw/zinc/61/98/68/622619868.db2.gz ODRNLVQGVCZCRL-UHFFFAOYSA-N 1 0 308.809 3.415 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000770319736 622620885 /nfs/dbraw/zinc/62/08/85/622620885.db2.gz BGCYEBNKSIWDPJ-CJNGLKHVSA-N 1 0 317.385 3.082 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770665022 622657862 /nfs/dbraw/zinc/65/78/62/622657862.db2.gz NLYIPHDJWUNMCA-IBGZPJMESA-N 1 0 311.381 3.032 20 10 DGCDRO Cc1ccc2c(c1)nc(-c1ccc(N3CC[NH+](C)CC3)cc1)n2C ZINC000771513420 622771089 /nfs/dbraw/zinc/77/10/89/622771089.db2.gz KSRUHLFKYHXPFW-UHFFFAOYSA-N 1 0 320.440 3.301 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)CC2 ZINC000872110491 622813033 /nfs/dbraw/zinc/81/30/33/622813033.db2.gz JMEBOEOUFUXTEA-SECBINFHSA-N 1 0 311.250 3.141 20 10 DGCDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc2c(cc1O)CCCC2 ZINC000872111645 622813501 /nfs/dbraw/zinc/81/35/01/622813501.db2.gz FLPQNRVPWWAUIA-UONOGXRCSA-N 1 0 317.429 3.265 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000123982247 622856071 /nfs/dbraw/zinc/85/60/71/622856071.db2.gz ZTBZCQYYPCZRPK-CQSZACIVSA-N 1 0 313.731 3.147 20 10 DGCDRO CCn1nc(C)c(C[N@H+](C)Cc2cc(C)c(C)cc2O)c1C ZINC000872632459 622945338 /nfs/dbraw/zinc/94/53/38/622945338.db2.gz RRDWOCTVHLAKEX-UHFFFAOYSA-N 1 0 301.434 3.474 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872721925 622960759 /nfs/dbraw/zinc/96/07/59/622960759.db2.gz PMMLCVCSVLXDTH-KBPBESRZSA-N 1 0 300.427 3.125 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c1O ZINC000872804264 622982437 /nfs/dbraw/zinc/98/24/37/622982437.db2.gz JCIYPBBVVXUASU-AWEZNQCLSA-N 1 0 303.324 3.484 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c1O ZINC000872804268 622982468 /nfs/dbraw/zinc/98/24/68/622982468.db2.gz JCIYPBBVVXUASU-CQSZACIVSA-N 1 0 303.324 3.484 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C)c1O ZINC000124299510 622994855 /nfs/dbraw/zinc/99/48/55/622994855.db2.gz RHSCEOBIXVAUAN-SECBINFHSA-N 1 0 300.196 3.148 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CCCCC(=O)OC(C)(C)C ZINC000773426617 623025884 /nfs/dbraw/zinc/02/58/84/623025884.db2.gz FMEMFAJNMWMJJD-UHFFFAOYSA-N 1 0 309.406 3.002 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)cc1C ZINC000873105947 623036623 /nfs/dbraw/zinc/03/66/23/623036623.db2.gz CUBNEBCDIZEDTI-SFHVURJKSA-N 1 0 321.461 3.051 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2OCC)cc1C ZINC000873103542 623036943 /nfs/dbraw/zinc/03/69/43/623036943.db2.gz FVYYUIYYYKLAKU-AEFFLSMTSA-N 1 0 307.434 3.067 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCc2nnc(C)s2)cc1C ZINC000873127023 623042327 /nfs/dbraw/zinc/04/23/27/623042327.db2.gz GPCUDYLPVDBKOP-UHFFFAOYSA-N 1 0 305.447 3.276 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1C ZINC000873134625 623044363 /nfs/dbraw/zinc/04/43/63/623044363.db2.gz SACSGGOXHATDAP-LJQANCHMSA-N 1 0 321.461 3.051 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC(=O)OC)cc1 ZINC000773747909 623066281 /nfs/dbraw/zinc/06/62/81/623066281.db2.gz KYRLEMMQRHBVLT-KRWDZBQOSA-N 1 0 304.434 3.060 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)c2nccnc2C)ccc1OC ZINC000873188000 623067685 /nfs/dbraw/zinc/06/76/85/623067685.db2.gz FEQSWMSTKSRJLS-CQSZACIVSA-N 1 0 315.417 3.181 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H](O)c1ccccc1 ZINC000873192395 623068106 /nfs/dbraw/zinc/06/81/06/623068106.db2.gz ATCQPWVAUFYZSH-DOTOQJQBSA-N 1 0 301.386 3.003 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](O)c1ccccc1 ZINC000873192400 623068692 /nfs/dbraw/zinc/06/86/92/623068692.db2.gz ATCQPWVAUFYZSH-WBVHZDCISA-N 1 0 301.386 3.003 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](CC)[C@H](O)c2ccccc2)c1O ZINC000873193812 623069556 /nfs/dbraw/zinc/06/95/56/623069556.db2.gz ONIRJUYPATVGIR-FUHWJXTLSA-N 1 0 315.413 3.393 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000773802505 623073103 /nfs/dbraw/zinc/07/31/03/623073103.db2.gz VOBBRSHYHXSQIZ-VQIMIIECSA-N 1 0 312.461 3.422 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873202521 623073239 /nfs/dbraw/zinc/07/32/39/623073239.db2.gz YDSCARGONNVIEE-UHFFFAOYSA-N 1 0 315.486 3.092 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873258489 623094417 /nfs/dbraw/zinc/09/44/17/623094417.db2.gz RPLDVUONOCIIPX-KBVBSXBZSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1 ZINC000774378367 623138202 /nfs/dbraw/zinc/13/82/02/623138202.db2.gz LINGGLIVGLNXNT-KXBFYZLASA-N 1 0 301.478 3.420 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1 ZINC000774378364 623138353 /nfs/dbraw/zinc/13/83/53/623138353.db2.gz LINGGLIVGLNXNT-BEFAXECRSA-N 1 0 301.478 3.420 20 10 DGCDRO COc1c([O-])c(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836645 623197294 /nfs/dbraw/zinc/19/72/94/623197294.db2.gz UDDUOTWLWUGDRA-WCQYABFASA-N 1 0 308.378 3.320 20 10 DGCDRO Cn1nc(CC[NH2+]Cc2c(O)cccc2Cl)c2ccccc21 ZINC000775319448 623253305 /nfs/dbraw/zinc/25/33/05/623253305.db2.gz ULADWHHWTWSJKT-UHFFFAOYSA-N 1 0 315.804 3.265 20 10 DGCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775410240 623270930 /nfs/dbraw/zinc/27/09/30/623270930.db2.gz KLCGYIYWUGTZDX-KBPBESRZSA-N 1 0 305.466 3.097 20 10 DGCDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)ccc1O ZINC000775485682 623279048 /nfs/dbraw/zinc/27/90/48/623279048.db2.gz ZCNCABDWWVCYDN-CQSZACIVSA-N 1 0 310.825 3.099 20 10 DGCDRO CC[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000775507392 623282514 /nfs/dbraw/zinc/28/25/14/623282514.db2.gz MCIYJUZOTLDZIB-HIFRSBDPSA-N 1 0 313.825 3.282 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc(Cl)ccc1O ZINC000775527763 623285256 /nfs/dbraw/zinc/28/52/56/623285256.db2.gz UMXVATQIYICFHB-DWZYQQQCSA-N 1 0 322.836 3.096 20 10 DGCDRO Cc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000775649368 623303514 /nfs/dbraw/zinc/30/35/14/623303514.db2.gz OUSWKSMBJGZZMH-OAHLLOKOSA-N 1 0 320.433 3.142 20 10 DGCDRO CCN(CC)CC[N@@H+](Cc1cc(OC)ccc1O)CC(C)C ZINC000775656353 623306049 /nfs/dbraw/zinc/30/60/49/623306049.db2.gz FONGHTGYYUQSKJ-UHFFFAOYSA-N 1 0 308.466 3.201 20 10 DGCDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c1O ZINC000775667194 623309927 /nfs/dbraw/zinc/30/99/27/623309927.db2.gz FAFMVRQTEURIJI-OAHLLOKOSA-N 1 0 324.852 3.091 20 10 DGCDRO CC[N@H+](Cc1cccc(C)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000775695585 623314369 /nfs/dbraw/zinc/31/43/69/623314369.db2.gz NWESAYPVRVQBMK-GOSISDBHSA-N 1 0 324.424 3.328 20 10 DGCDRO C[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775830135 623338814 /nfs/dbraw/zinc/33/88/14/623338814.db2.gz DDMQDOOGKTUMIQ-HNNXBMFYSA-N 1 0 317.477 3.100 20 10 DGCDRO C[C@H]([NH2+]CCCCCn1cccn1)c1ccc(N(C)C)cc1 ZINC000775834033 623339679 /nfs/dbraw/zinc/33/96/79/623339679.db2.gz JCVJKFJKEMWPSS-INIZCTEOSA-N 1 0 300.450 3.470 20 10 DGCDRO C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000775835398 623339701 /nfs/dbraw/zinc/33/97/01/623339701.db2.gz YBLISCHSOYAJIX-CKDBGZEDSA-N 1 0 317.477 3.098 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000775838396 623340187 /nfs/dbraw/zinc/34/01/87/623340187.db2.gz YEIXMIUVVOYVPY-KZULUSFZSA-N 1 0 320.383 3.415 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000775969632 623358412 /nfs/dbraw/zinc/35/84/12/623358412.db2.gz YMONDFKVLIQLKS-UONOGXRCSA-N 1 0 320.433 3.222 20 10 DGCDRO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000776012677 623363454 /nfs/dbraw/zinc/36/34/54/623363454.db2.gz IPWVUHSOKOGNNH-KOLCDFICSA-N 1 0 317.307 3.284 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)cc1F ZINC000776010089 623363738 /nfs/dbraw/zinc/36/37/38/623363738.db2.gz XRKBAFUGBNIOKP-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CSCCS2)cc1 ZINC000125189782 623378415 /nfs/dbraw/zinc/37/84/15/623378415.db2.gz OGUCUYMLASRHQJ-INIZCTEOSA-N 1 0 310.532 3.471 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](C)c2nc(C)cs2)cc1OC ZINC000776162908 623386446 /nfs/dbraw/zinc/38/64/46/623386446.db2.gz NOGXXTPSVKZBRY-SNVBAGLBSA-N 1 0 308.403 3.025 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000776174299 623390105 /nfs/dbraw/zinc/39/01/05/623390105.db2.gz LWKVUBIAFHNBNU-UHFFFAOYSA-N 1 0 300.402 3.065 20 10 DGCDRO COc1cc(O)c(C[NH2+]C2(c3ccc(F)cc3)CC2)cc1OC ZINC000776173973 623390650 /nfs/dbraw/zinc/39/06/50/623390650.db2.gz SGDFKOJVLRRXQR-UHFFFAOYSA-N 1 0 317.360 3.327 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)C12CCCC2 ZINC000776224583 623399459 /nfs/dbraw/zinc/39/94/59/623399459.db2.gz UKBWLULIUNRRQB-IAGOWNOFSA-N 1 0 305.418 3.228 20 10 DGCDRO Cc1cnn(-c2cc[nH+]cc2NCc2ccc(N(C)C)cc2)c1 ZINC000776253311 623401627 /nfs/dbraw/zinc/40/16/27/623401627.db2.gz VWBRKFCNXHNCHD-UHFFFAOYSA-N 1 0 307.401 3.254 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC2([C@H](C)CCO)CCC2)c1 ZINC000776257114 623402649 /nfs/dbraw/zinc/40/26/49/623402649.db2.gz IDPVNOCHBFFBJO-CQSZACIVSA-N 1 0 307.434 3.069 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1 ZINC000776494207 623435186 /nfs/dbraw/zinc/43/51/86/623435186.db2.gz BMQWIXMHNBRNLG-SFHVURJKSA-N 1 0 304.478 3.420 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000776767599 623461286 /nfs/dbraw/zinc/46/12/86/623461286.db2.gz DWWIFYDVGGWMCX-IBGZPJMESA-N 1 0 315.388 3.242 20 10 DGCDRO Cc1nn(C)c2ncc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)cc12 ZINC000776942881 623477741 /nfs/dbraw/zinc/47/77/41/623477741.db2.gz XKALWBVVUJYVSZ-ZDUSSCGKSA-N 1 0 323.444 3.194 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000777220980 623506318 /nfs/dbraw/zinc/50/63/18/623506318.db2.gz WZUULJQUZYEFQW-NSHDSACASA-N 1 0 312.841 3.089 20 10 DGCDRO CC(C)(C)[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000790410271 625650003 /nfs/dbraw/zinc/65/00/03/625650003.db2.gz BNQARCUXTUNGQY-QGZVFWFLSA-N 1 0 300.402 3.187 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)c1 ZINC000777484116 623531019 /nfs/dbraw/zinc/53/10/19/623531019.db2.gz JPSKMQIHEJJXAQ-ACJLOTCBSA-N 1 0 307.434 3.068 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@]2(C)CCCOC2)c1O ZINC000777507900 623533934 /nfs/dbraw/zinc/53/39/34/623533934.db2.gz RWZQZSMGUHBGAV-AWEZNQCLSA-N 1 0 314.223 3.122 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000790482734 625659411 /nfs/dbraw/zinc/65/94/11/625659411.db2.gz CFLWSXHJUBNEDZ-IAGOWNOFSA-N 1 0 312.461 3.302 20 10 DGCDRO CCC1([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCOCC1 ZINC000777706532 623558658 /nfs/dbraw/zinc/55/86/58/623558658.db2.gz BRKBANKGZOLLBK-UHFFFAOYSA-N 1 0 318.461 3.213 20 10 DGCDRO COCC[N@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CC[C@@H](C)C1 ZINC000790479519 625659522 /nfs/dbraw/zinc/65/95/22/625659522.db2.gz PHKOVLBQNBJJQH-CZUORRHYSA-N 1 0 307.434 3.346 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1 ZINC000790498153 625661246 /nfs/dbraw/zinc/66/12/46/625661246.db2.gz PGSJJEJPWVSLEZ-GUYCJALGSA-N 1 0 306.450 3.172 20 10 DGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)n(-c2ccccc2)n1 ZINC000790469060 625656918 /nfs/dbraw/zinc/65/69/18/625656918.db2.gz KHBKFVZHQYTPQE-UHFFFAOYSA-N 1 0 305.381 3.097 20 10 DGCDRO CC[C@H](C)[C@@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000876551290 623641653 /nfs/dbraw/zinc/64/16/53/623641653.db2.gz OLWFFJGUMGYYLU-QFBILLFUSA-N 1 0 320.477 3.016 20 10 DGCDRO COC(=O)c1cc(C[N@H+](C)Cc2c(C)cccc2O)oc1C ZINC000876555365 623642785 /nfs/dbraw/zinc/64/27/85/623642785.db2.gz VOLQBIZDEAFISD-UHFFFAOYSA-N 1 0 303.358 3.021 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@@](C)(OC)C3CC3)CC2)cc1 ZINC000876630799 623664667 /nfs/dbraw/zinc/66/46/67/623664667.db2.gz KZAJLNKDYVFNMA-LJQANCHMSA-N 1 0 318.461 3.022 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876643107 623667916 /nfs/dbraw/zinc/66/79/16/623667916.db2.gz UGSNFGSPXPYOQN-INIZCTEOSA-N 1 0 302.462 3.270 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](OC)C1CCOCC1 ZINC000876654404 623671495 /nfs/dbraw/zinc/67/14/95/623671495.db2.gz FEMDNFWCAPDIIW-GOSISDBHSA-N 1 0 307.434 3.046 20 10 DGCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876658285 623672510 /nfs/dbraw/zinc/67/25/10/623672510.db2.gz RRQAOKASFWLAEY-CVEARBPZSA-N 1 0 318.461 3.217 20 10 DGCDRO CCCCCC(=O)NC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876656458 623672519 /nfs/dbraw/zinc/67/25/19/623672519.db2.gz AEYJEZKMDNNWOU-UHFFFAOYSA-N 1 0 318.461 3.362 20 10 DGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876748066 623695515 /nfs/dbraw/zinc/69/55/15/623695515.db2.gz ULGVRTPLDXSCOZ-DOTOQJQBSA-N 1 0 302.462 3.268 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876745781 623695704 /nfs/dbraw/zinc/69/57/04/623695704.db2.gz LSORQTMHMVMLQT-JKSUJKDBSA-N 1 0 302.462 3.126 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000876807468 623711493 /nfs/dbraw/zinc/71/14/93/623711493.db2.gz FASODUOLSUIYHP-PBHICJAKSA-N 1 0 301.386 3.382 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000876809186 623712605 /nfs/dbraw/zinc/71/26/05/623712605.db2.gz XEOYFNXIRGUXIR-WBVHZDCISA-N 1 0 301.386 3.382 20 10 DGCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000779000413 623719825 /nfs/dbraw/zinc/71/98/25/623719825.db2.gz VIIZHNZFPLBWCK-VBQJREDUSA-N 1 0 306.425 3.369 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)[nH]n1 ZINC000779023025 623721723 /nfs/dbraw/zinc/72/17/23/623721723.db2.gz BAZBBCPXAACPQE-JTQLQIEISA-N 1 0 324.222 3.345 20 10 DGCDRO C[C@@H]1C[NH+](Cc2ccccc2O)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000779019325 623722106 /nfs/dbraw/zinc/72/21/06/623722106.db2.gz SHOXWYMMJGRBBF-ZIAGYGMSSA-N 1 0 320.433 3.222 20 10 DGCDRO C[C@H]1[C@H](C)[N@H+](Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000779105768 623730041 /nfs/dbraw/zinc/73/00/41/623730041.db2.gz FJWCSVNYZVPOAW-KBPBESRZSA-N 1 0 320.433 3.222 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876874572 623734125 /nfs/dbraw/zinc/73/41/25/623734125.db2.gz HGQWCFMXOBLINV-QAQDUYKDSA-N 1 0 317.477 3.007 20 10 DGCDRO COc1cc(C[NH2+]Cc2c(C)cccc2O)cc(OC)c1OC ZINC000876896596 623739297 /nfs/dbraw/zinc/73/92/97/623739297.db2.gz IQICRFPMAUNQMH-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(O)c1 ZINC000779187882 623740063 /nfs/dbraw/zinc/74/00/63/623740063.db2.gz AOULLGVRSVNNAI-QGZVFWFLSA-N 1 0 305.418 3.182 20 10 DGCDRO CCOC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000779199090 623741035 /nfs/dbraw/zinc/74/10/35/623741035.db2.gz SYNJRBBOMHATGA-HNNXBMFYSA-N 1 0 315.413 3.486 20 10 DGCDRO COCC1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CCC1 ZINC000876942656 623750680 /nfs/dbraw/zinc/75/06/80/623750680.db2.gz AAZPAKWKRCACKP-UHFFFAOYSA-N 1 0 320.502 3.146 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000876969902 623757244 /nfs/dbraw/zinc/75/72/44/623757244.db2.gz CXOAMNOJJGRIQJ-OAHLLOKOSA-N 1 0 314.404 3.456 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000876999438 623763290 /nfs/dbraw/zinc/76/32/90/623763290.db2.gz ULYFKSVMLGUAHM-MUJYYYPQSA-N 1 0 300.446 3.300 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000779432629 623770142 /nfs/dbraw/zinc/77/01/42/623770142.db2.gz XXRQHRLMGXKJBB-KBXCAEBGSA-N 1 0 322.424 3.103 20 10 DGCDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877083500 623787201 /nfs/dbraw/zinc/78/72/01/623787201.db2.gz BQONKIYSKKSKSH-INIZCTEOSA-N 1 0 312.413 3.078 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2c(C)cccc2O)c(N2CCCC2)n1 ZINC000877189095 623822947 /nfs/dbraw/zinc/82/29/47/623822947.db2.gz NOEAOONQQORURM-UHFFFAOYSA-N 1 0 311.429 3.294 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000877374859 623861192 /nfs/dbraw/zinc/86/11/92/623861192.db2.gz PRSUDVDJKCGNCR-KRWDZBQOSA-N 1 0 305.805 3.351 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(C)cc1O)CCC(F)(F)F ZINC000877475633 623899376 /nfs/dbraw/zinc/89/93/76/623899376.db2.gz KNHFMGXTVOVANL-UHFFFAOYSA-N 1 0 304.356 3.065 20 10 DGCDRO CC1=C[C@H](C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877494645 623910836 /nfs/dbraw/zinc/91/08/36/623910836.db2.gz RTYJXDGMSKHGML-HNNXBMFYSA-N 1 0 300.446 3.046 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C ZINC000877506386 623916174 /nfs/dbraw/zinc/91/61/74/623916174.db2.gz VYPATDMOILAAFT-CYBMUJFWSA-N 1 0 308.422 3.094 20 10 DGCDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877528340 623925806 /nfs/dbraw/zinc/92/58/06/623925806.db2.gz YDWSEWDECAPZAU-OAHLLOKOSA-N 1 0 316.401 3.097 20 10 DGCDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531909 623927108 /nfs/dbraw/zinc/92/71/08/623927108.db2.gz ROBPSGBQKDDEEQ-INIZCTEOSA-N 1 0 322.518 3.221 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3cccnc3CC2)c1 ZINC000877533485 623928782 /nfs/dbraw/zinc/92/87/82/623928782.db2.gz PAFJSEXEQPFUCI-ZFWWWQNUSA-N 1 0 312.413 3.394 20 10 DGCDRO Cc1ccc(CNc2ccc(OCC[NH+](C)C)c(F)c2)c(O)c1 ZINC000877585208 623951033 /nfs/dbraw/zinc/95/10/33/623951033.db2.gz CROGYQLBMGNZQX-UHFFFAOYSA-N 1 0 318.392 3.392 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000877590479 623954953 /nfs/dbraw/zinc/95/49/53/623954953.db2.gz ZYFFHFQQLLHNKC-FQEVSTJZSA-N 1 0 323.392 3.311 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CS[C@@H](C)C3)C2)cc1 ZINC000877597888 623956846 /nfs/dbraw/zinc/95/68/46/623956846.db2.gz BQVSDEXWIOWEJO-RRFJBIMHSA-N 1 0 306.475 3.005 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(C)ns3)C2)cc1 ZINC000877599005 623957690 /nfs/dbraw/zinc/95/76/90/623957690.db2.gz XBDLZAHVCOTFJP-CQSZACIVSA-N 1 0 317.458 3.076 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]CC3CCSCC3)C2)cc1 ZINC000877620989 623966164 /nfs/dbraw/zinc/96/61/64/623966164.db2.gz ORLKGPOJEQHJGL-HNNXBMFYSA-N 1 0 306.475 3.007 20 10 DGCDRO CC[C@](C)([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877630404 623969711 /nfs/dbraw/zinc/96/97/11/623969711.db2.gz FFZAAAPNWXBYPG-IBGZPJMESA-N 1 0 302.462 3.316 20 10 DGCDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(C)cc2O)OC)c1 ZINC000877647926 623977660 /nfs/dbraw/zinc/97/76/60/623977660.db2.gz JOKYUIOSSDNSEK-GOSISDBHSA-N 1 0 301.386 3.187 20 10 DGCDRO CCC1([NH+]2CCCC2)CCN(Cc2cc(OC)ccc2O)CC1 ZINC000877673151 623987142 /nfs/dbraw/zinc/98/71/42/623987142.db2.gz ASIUSWKKKMJUJO-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877672645 623987344 /nfs/dbraw/zinc/98/73/44/623987344.db2.gz JOWUOEWHJZDJLD-IAGOWNOFSA-N 1 0 301.361 3.229 20 10 DGCDRO CC(=O)Nc1cccc2c1C[N@H+](Cc1c(C)cccc1O)CC2 ZINC000877681122 623988700 /nfs/dbraw/zinc/98/87/00/623988700.db2.gz GAWDYZCQPFAZPL-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1F ZINC000780892552 623994283 /nfs/dbraw/zinc/99/42/83/623994283.db2.gz LIIIWFFRTVURPZ-GDBMZVCRSA-N 1 0 308.441 3.265 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C[C@H]1C ZINC000877755510 624021798 /nfs/dbraw/zinc/02/17/98/624021798.db2.gz CZOWFVNGMCHQJQ-APIJFGDWSA-N 1 0 305.418 3.411 20 10 DGCDRO C[C@@H]([NH2+]CCC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000877755854 624021813 /nfs/dbraw/zinc/02/18/13/624021813.db2.gz OPCZSTJADKRYKV-CYBMUJFWSA-N 1 0 320.433 3.300 20 10 DGCDRO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757167 624022652 /nfs/dbraw/zinc/02/26/52/624022652.db2.gz KRRXUZQHKHGPDY-ZDUSSCGKSA-N 1 0 317.385 3.234 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)cc2c1OCCO2 ZINC000877757110 624023294 /nfs/dbraw/zinc/02/32/94/624023294.db2.gz GZDHREYMSYLGJJ-LBPRGKRZSA-N 1 0 315.369 3.023 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1O ZINC000877758026 624024064 /nfs/dbraw/zinc/02/40/64/624024064.db2.gz DPIPZUCPRRTANS-WMLDXEAASA-N 1 0 313.397 3.411 20 10 DGCDRO COc1cc(F)cc(OC)c1C[NH2+][C@H](C)c1ccccc1O ZINC000877757448 624024121 /nfs/dbraw/zinc/02/41/21/624024121.db2.gz JVQORFGQXJVPAK-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO COc1ccc([C@H]2C[N@H+](Cc3cc(C)ccc3O)CCO2)cc1 ZINC000877757674 624024219 /nfs/dbraw/zinc/02/42/19/624024219.db2.gz QRINSYUCEVWPHX-LJQANCHMSA-N 1 0 313.397 3.283 20 10 DGCDRO Cc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c(O)c1 ZINC000877764281 624027766 /nfs/dbraw/zinc/02/77/66/624027766.db2.gz YVVSVXHTYWMQHO-KRWDZBQOSA-N 1 0 309.413 3.080 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H](O)C2CCCC2)c1O ZINC000877777431 624032545 /nfs/dbraw/zinc/03/25/45/624032545.db2.gz AKZVFRYJASVXJA-CQSZACIVSA-N 1 0 313.825 3.085 20 10 DGCDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000877777982 624033363 /nfs/dbraw/zinc/03/33/63/624033363.db2.gz HZESOYBDNAYMRR-ZWNOBZJWSA-N 1 0 316.239 3.102 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CC1(O)CCCCC1 ZINC000878152796 624192118 /nfs/dbraw/zinc/19/21/18/624192118.db2.gz YQNNRPZGDSPSDD-KRWDZBQOSA-N 1 0 321.461 3.050 20 10 DGCDRO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000805734111 624285018 /nfs/dbraw/zinc/28/50/18/624285018.db2.gz XNJQMAQDMMDELZ-UHFFFAOYSA-N 1 0 313.445 3.405 20 10 DGCDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000783220456 624325491 /nfs/dbraw/zinc/32/54/91/624325491.db2.gz DZRQDYINIIXOTA-VWPFQQQWSA-N 1 0 306.425 3.327 20 10 DGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cc2c(cc1O)CCCC2 ZINC000783313904 624338319 /nfs/dbraw/zinc/33/83/19/624338319.db2.gz HMELKSNAGQIXPF-CQSZACIVSA-N 1 0 302.462 3.406 20 10 DGCDRO C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1O ZINC000783503109 624359242 /nfs/dbraw/zinc/35/92/42/624359242.db2.gz GQNWHHZELUSXGM-WMLDXEAASA-N 1 0 312.413 3.262 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccccc1O ZINC000805747642 624366719 /nfs/dbraw/zinc/36/67/19/624366719.db2.gz DPHJJQONTOSEJB-SWLSCSKDSA-N 1 0 305.805 3.300 20 10 DGCDRO c1c[nH]c([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000127393142 624377466 /nfs/dbraw/zinc/37/74/66/624377466.db2.gz YZKPCTNNPPPMLG-LJQANCHMSA-N 1 0 311.429 3.188 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000784000853 624419220 /nfs/dbraw/zinc/41/92/20/624419220.db2.gz IZEBYXUUIQRWIX-INIZCTEOSA-N 1 0 319.445 3.027 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)n1 ZINC000784265523 624468582 /nfs/dbraw/zinc/46/85/82/624468582.db2.gz KLVCZJQENBEDLY-LBPRGKRZSA-N 1 0 302.374 3.045 20 10 DGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000784679222 624570203 /nfs/dbraw/zinc/57/02/03/624570203.db2.gz HJXPAORZEIGOPD-UHFFFAOYSA-N 1 0 310.441 3.362 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000879648514 624621100 /nfs/dbraw/zinc/62/11/00/624621100.db2.gz RRZVNLWXYBDNPS-SQWLQELKSA-N 1 0 304.434 3.080 20 10 DGCDRO CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000879647389 624621487 /nfs/dbraw/zinc/62/14/87/624621487.db2.gz BOTGZJPNQAIDDV-HUUCEWRRSA-N 1 0 312.413 3.484 20 10 DGCDRO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1O ZINC000879649155 624622897 /nfs/dbraw/zinc/62/28/97/624622897.db2.gz JRZZEXZVPABSCB-CQSZACIVSA-N 1 0 318.461 3.328 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)c1ccccc1O ZINC000879652850 624626810 /nfs/dbraw/zinc/62/68/10/624626810.db2.gz IZLMRPUHDWXUJW-SLTAFYQDSA-N 1 0 304.434 3.080 20 10 DGCDRO CC1(C)C[NH+](Cc2c(O)ccc3ccncc32)CC(C)(C)O1 ZINC000785514609 624679959 /nfs/dbraw/zinc/67/99/59/624679959.db2.gz CBXWAIQDZXUDDG-UHFFFAOYSA-N 1 0 300.402 3.330 20 10 DGCDRO CCn1ncnc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000785692704 624714395 /nfs/dbraw/zinc/71/43/95/624714395.db2.gz HPVYYURMLJTQJS-UHFFFAOYSA-N 1 0 314.433 3.339 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)cc(C)c2O)c1 ZINC000786579380 624924828 /nfs/dbraw/zinc/92/48/28/624924828.db2.gz RDUDQAHBUKDYNU-KRWDZBQOSA-N 1 0 319.832 3.356 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1O ZINC000787288725 624997303 /nfs/dbraw/zinc/99/73/03/624997303.db2.gz BKIMKDJDMBQHLI-HNNXBMFYSA-N 1 0 316.376 3.278 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c(O)c1 ZINC000788505567 625199897 /nfs/dbraw/zinc/19/98/97/625199897.db2.gz HVQFURCPFSIEEY-CYBMUJFWSA-N 1 0 313.401 3.350 20 10 DGCDRO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788504804 625200016 /nfs/dbraw/zinc/20/00/16/625200016.db2.gz DSXRPTNLQDUDMU-AWEZNQCLSA-N 1 0 301.434 3.253 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)c1O ZINC000788538474 625210318 /nfs/dbraw/zinc/21/03/18/625210318.db2.gz MYRRTXIDIXTQMI-HKUYNNGSSA-N 1 0 315.413 3.249 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)c1ccccc1 ZINC000788541970 625212030 /nfs/dbraw/zinc/21/20/30/625212030.db2.gz ZZBXFQWLJRCFJU-VQTJNVASSA-N 1 0 311.425 3.469 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cn2ccccc2n1 ZINC000788583039 625219928 /nfs/dbraw/zinc/21/99/28/625219928.db2.gz ISHPAIXNGACCJB-ZDUSSCGKSA-N 1 0 312.392 3.390 20 10 DGCDRO CC1(C)CC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000788579984 625220529 /nfs/dbraw/zinc/22/05/29/625220529.db2.gz IYGZZFSLZCEEII-UHFFFAOYSA-N 1 0 306.425 3.065 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccn(CC)c1=O)c1cc(Cl)ccc1O ZINC000788603255 625224883 /nfs/dbraw/zinc/22/48/83/625224883.db2.gz ACIUWQMLGDBIBD-HNNXBMFYSA-N 1 0 320.820 3.468 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccn(CC)c2=O)cc1 ZINC000788606123 625226922 /nfs/dbraw/zinc/22/69/22/625226922.db2.gz WGUFHSBRWNTWHJ-OAHLLOKOSA-N 1 0 313.445 3.175 20 10 DGCDRO C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788692752 625244595 /nfs/dbraw/zinc/24/45/95/625244595.db2.gz PURYQPKLMQOKQM-NSHDSACASA-N 1 0 314.351 3.324 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000788800841 625269924 /nfs/dbraw/zinc/26/99/24/625269924.db2.gz IORSGGJQZALHIP-KFWWJZLASA-N 1 0 305.418 3.391 20 10 DGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000130601829 625878953 /nfs/dbraw/zinc/87/89/53/625878953.db2.gz BGOLDTSIJUFFEU-WBMJQRKESA-N 1 0 306.381 3.087 20 10 DGCDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883042343 625908335 /nfs/dbraw/zinc/90/83/35/625908335.db2.gz TZBNKZJFCWRRJU-OAHLLOKOSA-N 1 0 305.324 3.456 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2cccc(OCC)c2O)CCCC1 ZINC000792196949 625923474 /nfs/dbraw/zinc/92/34/74/625923474.db2.gz NJHBMNVHLGNKTF-UHFFFAOYSA-N 1 0 321.417 3.004 20 10 DGCDRO Cc1ccnc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000792247957 625930869 /nfs/dbraw/zinc/93/08/69/625930869.db2.gz BKYPCJRIURLQOB-GOSISDBHSA-N 1 0 312.413 3.277 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000883127099 625934875 /nfs/dbraw/zinc/93/48/75/625934875.db2.gz LNPRVOUKACQJBZ-CYBMUJFWSA-N 1 0 322.330 3.178 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(SC)o3)C2)cc1 ZINC000883166092 625949465 /nfs/dbraw/zinc/94/94/65/625949465.db2.gz RXXJTUBGNHKHRR-ZDUSSCGKSA-N 1 0 318.442 3.379 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC34CCCCC4)cc2)CC1 ZINC000883174499 625953704 /nfs/dbraw/zinc/95/37/04/625953704.db2.gz LTFLUYIFTWACSN-LJQANCHMSA-N 1 0 314.473 3.460 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC34CCCCC4)cc2)CC1 ZINC000883174498 625953790 /nfs/dbraw/zinc/95/37/90/625953790.db2.gz LTFLUYIFTWACSN-IBGZPJMESA-N 1 0 314.473 3.460 20 10 DGCDRO c1ccc(CN2CCc3cc(C[NH2+]CCN4CCC4)ccc32)cc1 ZINC000796339029 626039927 /nfs/dbraw/zinc/03/99/27/626039927.db2.gz SPHXOMYKTILNQX-UHFFFAOYSA-N 1 0 321.468 3.045 20 10 DGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000796703702 626075120 /nfs/dbraw/zinc/07/51/20/626075120.db2.gz UIBDHQLCXNYVLE-FUHWJXTLSA-N 1 0 320.452 3.311 20 10 DGCDRO COc1ccccc1-n1nccc1C[N@H+](C)Cc1ccccc1O ZINC000797590001 626156347 /nfs/dbraw/zinc/15/63/47/626156347.db2.gz UDXDBDSZCBASQB-UHFFFAOYSA-N 1 0 323.396 3.219 20 10 DGCDRO COc1ccc(N2CCN(c3cc[nH+]c(C)c3Cl)CC2)cc1 ZINC000798386075 626214195 /nfs/dbraw/zinc/21/41/95/626214195.db2.gz MCRUMOYEHNCOLG-UHFFFAOYSA-N 1 0 317.820 3.379 20 10 DGCDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000798503542 626222196 /nfs/dbraw/zinc/22/21/96/626222196.db2.gz MINONYPEJQAYMC-HOCLYGCPSA-N 1 0 306.425 3.188 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c(O)c1 ZINC000798960267 626262957 /nfs/dbraw/zinc/26/29/57/626262957.db2.gz DOQSHZPBWPEXRK-KRWDZBQOSA-N 1 0 315.417 3.252 20 10 DGCDRO Cc1cccc2oc(CC[NH2+]Cc3cc(F)ccc3O)nc21 ZINC000799118975 626274187 /nfs/dbraw/zinc/27/41/87/626274187.db2.gz DHLHDDRFNJRMJG-UHFFFAOYSA-N 1 0 300.333 3.313 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCCO1 ZINC000799162362 626276486 /nfs/dbraw/zinc/27/64/86/626276486.db2.gz RGTRBTSVLZJHNZ-HNNXBMFYSA-N 1 0 307.434 3.396 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2CCCC[C@@H]2OC)ccc1OC ZINC000799351919 626294904 /nfs/dbraw/zinc/29/49/04/626294904.db2.gz JXWMJLFDLMXQJE-WMZOPIPTSA-N 1 0 307.434 3.279 20 10 DGCDRO C[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCOC3)cc2Cl)C1 ZINC000800275424 626346793 /nfs/dbraw/zinc/34/67/93/626346793.db2.gz CCKADQOTONICIZ-UKRRQHHQSA-N 1 0 308.853 3.455 20 10 DGCDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000800475432 626363486 /nfs/dbraw/zinc/36/34/86/626363486.db2.gz BTEQNFXBKCIUGH-MNEFBYGVSA-N 1 0 318.436 3.331 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)CC1 ZINC000800475441 626363788 /nfs/dbraw/zinc/36/37/88/626363788.db2.gz CCKKZXWAPYAELK-IBGZPJMESA-N 1 0 314.473 3.318 20 10 DGCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800493769 626364837 /nfs/dbraw/zinc/36/48/37/626364837.db2.gz QHKOPPKWJMSAJJ-KBPBESRZSA-N 1 0 310.869 3.437 20 10 DGCDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808706193 626372906 /nfs/dbraw/zinc/37/29/06/626372906.db2.gz FBTFCXRAGGLLBK-RYUDHWBXSA-N 1 0 301.814 3.056 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@](F)(c3ccccc3)C1)OCO2 ZINC000800858537 626379832 /nfs/dbraw/zinc/37/98/32/626379832.db2.gz AEUZFZLOFRKUBJ-SFHVURJKSA-N 1 0 315.344 3.192 20 10 DGCDRO COc1ccc(N2CC[NH+](CCSC(C)C)CC2)cc1F ZINC000801521026 626407473 /nfs/dbraw/zinc/40/74/73/626407473.db2.gz NKKIQNAJMRTAMC-UHFFFAOYSA-N 1 0 312.454 3.098 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000801546203 626409248 /nfs/dbraw/zinc/40/92/48/626409248.db2.gz JPNLMGFHLYBHII-HOTGVXAUSA-N 1 0 318.461 3.394 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N[C@H](C)CC ZINC000801598171 626411843 /nfs/dbraw/zinc/41/18/43/626411843.db2.gz WOONZYLKLBJXSM-HUUCEWRRSA-N 1 0 306.450 3.298 20 10 DGCDRO C[N@H+](CCSC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000801911559 626424955 /nfs/dbraw/zinc/42/49/55/626424955.db2.gz MKXVTOGNLMFEEW-UHFFFAOYSA-N 1 0 322.518 3.487 20 10 DGCDRO COc1ccc2c(c1)OCC[N@@H+](Cc1cc(C)cc(C)c1O)C2 ZINC000802744975 626569336 /nfs/dbraw/zinc/56/93/36/626569336.db2.gz XFHRDUPVAVVLQL-UHFFFAOYSA-N 1 0 313.397 3.412 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cc(Cl)ccc1O ZINC000883276675 626633885 /nfs/dbraw/zinc/63/38/85/626633885.db2.gz OFTZHWPENKSWJQ-YPMHNXCESA-N 1 0 309.793 3.140 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)c1O ZINC000883277393 626634443 /nfs/dbraw/zinc/63/44/43/626634443.db2.gz ZCELEYLOQUSEHV-GXTWGEPZSA-N 1 0 323.820 3.449 20 10 DGCDRO CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Br)ccc1O ZINC000131503137 626646144 /nfs/dbraw/zinc/64/61/44/626646144.db2.gz XANRBDOJSYMPJW-GXFFZTMASA-N 1 0 314.223 3.154 20 10 DGCDRO CC[C@@H](c1ccncc1)[N@H+](CC)Cc1cc2c(cc1O)OCO2 ZINC000131514446 626646685 /nfs/dbraw/zinc/64/66/85/626646685.db2.gz OMLGGDFGZADKTJ-HNNXBMFYSA-N 1 0 314.385 3.489 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCCOC1 ZINC000883354560 626657893 /nfs/dbraw/zinc/65/78/93/626657893.db2.gz YCNQBCCHGDDQFC-LRDDRELGSA-N 1 0 312.404 3.326 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1c3ccccc3CC[C@H]1F)OCO2 ZINC000883383213 626668223 /nfs/dbraw/zinc/66/82/23/626668223.db2.gz VOQWRYGWIPGPJG-KDOFPFPSSA-N 1 0 315.344 3.236 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccnc(C)c2)cc1 ZINC000807329683 626754023 /nfs/dbraw/zinc/75/40/23/626754023.db2.gz CWUCVLMQMCJEKY-UHFFFAOYSA-N 1 0 305.381 3.472 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](C)N(C)[C@@H](C)C3)c2c1 ZINC000840090634 626754423 /nfs/dbraw/zinc/75/44/23/626754423.db2.gz REZFFUAWSVORGB-OKILXGFUSA-N 1 0 314.429 3.078 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000840095851 626757963 /nfs/dbraw/zinc/75/79/63/626757963.db2.gz JFWSTRYPDSNXQW-RBUKOAKNSA-N 1 0 310.397 3.084 20 10 DGCDRO COC[C@]1(C)CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840105991 626763548 /nfs/dbraw/zinc/76/35/48/626763548.db2.gz HGSNXVWNLZPVJD-GOSISDBHSA-N 1 0 307.434 3.254 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000840113626 626767533 /nfs/dbraw/zinc/76/75/33/626767533.db2.gz FRTHIOFOSXFAQI-BBWFWOEESA-N 1 0 319.445 3.225 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)CCC2 ZINC000840117929 626770590 /nfs/dbraw/zinc/77/05/90/626770590.db2.gz CKBSOATVDBTAGZ-KSZLIROESA-N 1 0 301.430 3.006 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1O ZINC000840141472 626837953 /nfs/dbraw/zinc/83/79/53/626837953.db2.gz BYSINTHHSFHQQS-QGZVFWFLSA-N 1 0 307.459 3.428 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCCC2=O)c1O ZINC000808672392 626847993 /nfs/dbraw/zinc/84/79/93/626847993.db2.gz MCMSGRHFEWNDSQ-GFCCVEGCSA-N 1 0 310.825 3.017 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1O ZINC000808679316 626848671 /nfs/dbraw/zinc/84/86/71/626848671.db2.gz KSFNYWHHWBNIRS-RYUDHWBXSA-N 1 0 310.825 3.016 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCSCCCO)c1O ZINC000808692842 626849984 /nfs/dbraw/zinc/84/99/84/626849984.db2.gz VDAANUGJAATUGS-NSHDSACASA-N 1 0 303.855 3.120 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1O ZINC000808706794 626851762 /nfs/dbraw/zinc/85/17/62/626851762.db2.gz VANTYJJLFCCCMI-ZWNOBZJWSA-N 1 0 305.809 3.285 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1O ZINC000808706791 626851779 /nfs/dbraw/zinc/85/17/79/626851779.db2.gz VANTYJJLFCCCMI-GWCFXTLKSA-N 1 0 305.809 3.285 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1O ZINC000808707858 626851915 /nfs/dbraw/zinc/85/19/15/626851915.db2.gz AXQQACXKCGBOIN-WCBMZHEXSA-N 1 0 311.731 3.318 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000808717585 626853159 /nfs/dbraw/zinc/85/31/59/626853159.db2.gz FECJVWUWQPOBJE-RYUDHWBXSA-N 1 0 310.825 3.016 20 10 DGCDRO COc1cc(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c(O)cc1C ZINC000840143657 626857125 /nfs/dbraw/zinc/85/71/25/626857125.db2.gz WERQOAUXDSAHEL-SJORKVTESA-N 1 0 305.418 3.099 20 10 DGCDRO C[C@H]([NH2+]Cc1cnnn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000808748144 626858335 /nfs/dbraw/zinc/85/83/35/626858335.db2.gz ICTJLFAERTYRTK-HNNXBMFYSA-N 1 0 321.428 3.184 20 10 DGCDRO CC(C)(C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840148804 626868779 /nfs/dbraw/zinc/86/87/79/626868779.db2.gz ANTOCHDWFMQVFW-BLLLJJGKSA-N 1 0 305.418 3.076 20 10 DGCDRO CCSCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000135291299 626921421 /nfs/dbraw/zinc/92/14/21/626921421.db2.gz AMECULMFNIXDSG-HNNXBMFYSA-N 1 0 308.491 3.145 20 10 DGCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000809692152 626937439 /nfs/dbraw/zinc/93/74/39/626937439.db2.gz XZBUVUCSEATNQR-MRXNPFEDSA-N 1 0 320.433 3.110 20 10 DGCDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000809723332 626942083 /nfs/dbraw/zinc/94/20/83/626942083.db2.gz HALKAMFIDFMLLN-INIZCTEOSA-N 1 0 320.433 3.143 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CCc1nc2ccccc2s1 ZINC000809728151 626942371 /nfs/dbraw/zinc/94/23/71/626942371.db2.gz NCOYTSXNQWJUSL-UHFFFAOYSA-N 1 0 302.374 3.473 20 10 DGCDRO Cc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccccc2F)c1 ZINC000809732501 626943022 /nfs/dbraw/zinc/94/30/22/626943022.db2.gz LWEHWNQUBMSZRN-UHFFFAOYSA-N 1 0 316.420 3.404 20 10 DGCDRO C[NH+](C)CCN(Cc1cccc(F)c1)Cc1cc(F)ccc1O ZINC000809738267 626944054 /nfs/dbraw/zinc/94/40/54/626944054.db2.gz VSHFRBURCMKKGF-UHFFFAOYSA-N 1 0 320.383 3.234 20 10 DGCDRO Cc1ccc(O)c(CN(CC[NH+](C)C)Cc2cccc(F)c2)c1 ZINC000809738038 626944195 /nfs/dbraw/zinc/94/41/95/626944195.db2.gz QBDYKZJNXWTCPP-UHFFFAOYSA-N 1 0 316.420 3.404 20 10 DGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)o1 ZINC000809743088 626944995 /nfs/dbraw/zinc/94/49/95/626944995.db2.gz LFCBYHNNDCJQFV-UHFFFAOYSA-N 1 0 303.358 3.069 20 10 DGCDRO C[NH+](C)CCN(Cc1ccco1)Cc1c(O)cccc1Cl ZINC000809745561 626945451 /nfs/dbraw/zinc/94/54/51/626945451.db2.gz BMBNYFMNYKBWRU-UHFFFAOYSA-N 1 0 308.809 3.202 20 10 DGCDRO CCN(CCC[NH+]1CCCC1)Cc1ccc(N(C)C)c(F)c1 ZINC000809749211 626946679 /nfs/dbraw/zinc/94/66/79/626946679.db2.gz CTOWQODEKBRKMW-UHFFFAOYSA-N 1 0 307.457 3.200 20 10 DGCDRO CCC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809757429 626947097 /nfs/dbraw/zinc/94/70/97/626947097.db2.gz SQPCOISBMCAXND-UHFFFAOYSA-N 1 0 302.821 3.348 20 10 DGCDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C2 ZINC000810178938 626985227 /nfs/dbraw/zinc/98/52/27/626985227.db2.gz ZKUOTBQZBGVACO-HNNXBMFYSA-N 1 0 303.789 3.447 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(C(F)(F)F)cc1O ZINC000810222737 626989556 /nfs/dbraw/zinc/98/95/56/626989556.db2.gz ABKSFNLKWIPGOE-SUHUHFCYSA-N 1 0 315.335 3.389 20 10 DGCDRO Cc1coc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000885943720 627066153 /nfs/dbraw/zinc/06/61/53/627066153.db2.gz AQKWLVAIMQYBRD-OAHLLOKOSA-N 1 0 300.402 3.275 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@H]2C[C@]23CCOC3)C2CC2)cc1 ZINC000885960772 627070665 /nfs/dbraw/zinc/07/06/65/627070665.db2.gz PHBWCFSUJZJTAL-APWZRJJASA-N 1 0 300.446 3.144 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3CCC=CCC3)cc2)CC1 ZINC000886376692 627145030 /nfs/dbraw/zinc/14/50/30/627145030.db2.gz QEEMLGODPYMTEP-UHFFFAOYSA-N 1 0 300.446 3.236 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCc4cccnc43)C2)cc1 ZINC000886628080 627176797 /nfs/dbraw/zinc/17/67/97/627176797.db2.gz FIBNZTCHZULXNW-BEFAXECRSA-N 1 0 323.440 3.194 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1c([O-])cccc1F ZINC000886639842 627178683 /nfs/dbraw/zinc/17/86/83/627178683.db2.gz MRBKWGMSHOAFDY-ZFWWWQNUSA-N 1 0 306.425 3.304 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](COC)[C@@H]2CCCOC2)cc1 ZINC000886786331 627204039 /nfs/dbraw/zinc/20/40/39/627204039.db2.gz AQIOLQJFEQXLBE-KVSKMBFKSA-N 1 0 320.477 3.235 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3(SC)CCC3)CC2)cc1F ZINC000811467450 627277390 /nfs/dbraw/zinc/27/73/90/627277390.db2.gz MTZBMVJMXSQAAJ-UHFFFAOYSA-N 1 0 324.465 3.242 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccnc(Cl)c2Cl)c1 ZINC000811479822 627279953 /nfs/dbraw/zinc/27/99/53/627279953.db2.gz MWJVVRFPXSIYFR-UHFFFAOYSA-N 1 0 313.184 3.392 20 10 DGCDRO C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(N(C)C)cc1 ZINC000812737980 627414773 /nfs/dbraw/zinc/41/47/73/627414773.db2.gz UZESJLCUHULBBA-AWEZNQCLSA-N 1 0 312.461 3.216 20 10 DGCDRO CCOC(=O)CC(C)(C)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000813334464 627479216 /nfs/dbraw/zinc/47/92/16/627479216.db2.gz KTBBDMGQHLMPRI-UHFFFAOYSA-N 1 0 306.450 3.164 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C(=O)N(C)C)cc1 ZINC000813857693 627516039 /nfs/dbraw/zinc/51/60/39/627516039.db2.gz YOJRJGJLWNDOJN-AWEZNQCLSA-N 1 0 324.424 3.174 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)c(O)c1 ZINC000813882058 627518816 /nfs/dbraw/zinc/51/88/16/627518816.db2.gz ZKJGCWBRKWJSFW-CQSZACIVSA-N 1 0 322.408 3.403 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)cc1 ZINC000814289527 627556670 /nfs/dbraw/zinc/55/66/70/627556670.db2.gz PYSQEYPJFRJBPG-UHFFFAOYSA-N 1 0 322.403 3.284 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)ccc1N(C)C ZINC000815056374 627620536 /nfs/dbraw/zinc/62/05/36/627620536.db2.gz OUSRGTZKPIATIP-IBGZPJMESA-N 1 0 302.462 3.454 20 10 DGCDRO Cc1cc(C[N@H+](C)CCC(=O)OC(C)(C)C)ccc1N(C)C ZINC000815060723 627621324 /nfs/dbraw/zinc/62/13/24/627621324.db2.gz CLRVLOSSHTVBNM-UHFFFAOYSA-N 1 0 306.450 3.225 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1N(C)C ZINC000815074236 627622725 /nfs/dbraw/zinc/62/27/25/627622725.db2.gz MVFNTLLAMBDPJY-QZTJIDSGSA-N 1 0 302.462 3.310 20 10 DGCDRO CCC(CC)(C[NH2+]Cc1ccc(N(C)C)c(C)c1)C(=O)OC ZINC000815075666 627623149 /nfs/dbraw/zinc/62/31/49/627623149.db2.gz CHTRFJNQTDMHNB-UHFFFAOYSA-N 1 0 306.450 3.130 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1N(C)C ZINC000815083900 627624419 /nfs/dbraw/zinc/62/44/19/627624419.db2.gz IIGPWNXWMAFHNR-AEFFLSMTSA-N 1 0 304.478 3.290 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1N(C)C ZINC000815083903 627624531 /nfs/dbraw/zinc/62/45/31/627624531.db2.gz IIGPWNXWMAFHNR-WMZOPIPTSA-N 1 0 304.478 3.290 20 10 DGCDRO Cc1cc(C[N@@H+]2CCOc3cc(O)ccc3C2)ccc1N(C)C ZINC000815118644 627630187 /nfs/dbraw/zinc/63/01/87/627630187.db2.gz YFKSIFDOQJQUCX-UHFFFAOYSA-N 1 0 312.413 3.161 20 10 DGCDRO COC(=O)[C@H](CC(C)C)N(C)Cc1ccc(N(C)C)c(C)c1 ZINC000815120733 627631022 /nfs/dbraw/zinc/63/10/22/627631022.db2.gz MNVKBCLKWQNUMX-KRWDZBQOSA-N 1 0 306.450 3.081 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)cc1 ZINC000815255208 627651944 /nfs/dbraw/zinc/65/19/44/627651944.db2.gz SEZGJXOGBJFCCE-GOSISDBHSA-N 1 0 304.478 3.420 20 10 DGCDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924650390 627662937 /nfs/dbraw/zinc/66/29/37/627662937.db2.gz XWRYRZKGDYZICH-RBUKOAKNSA-N 1 0 302.462 3.438 20 10 DGCDRO C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000924706292 627670953 /nfs/dbraw/zinc/67/09/53/627670953.db2.gz GIMCRTMDAVCKKD-GJZGRUSLSA-N 1 0 320.502 3.000 20 10 DGCDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760996 627677155 /nfs/dbraw/zinc/67/71/55/627677155.db2.gz SIIXYZCKZONNLE-HOTGVXAUSA-N 1 0 316.489 3.420 20 10 DGCDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924762310 627677349 /nfs/dbraw/zinc/67/73/49/627677349.db2.gz ZNBPQFNCPVAQKV-KBPBESRZSA-N 1 0 320.452 3.311 20 10 DGCDRO CSC1CC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000924792405 627680633 /nfs/dbraw/zinc/68/06/33/627680633.db2.gz CKVQDWZOARPGFQ-BZOOQXSSSA-N 1 0 306.475 3.068 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000815556474 627684301 /nfs/dbraw/zinc/68/43/01/627684301.db2.gz WBJMNYLUBUNRJI-BBWFWOEESA-N 1 0 320.477 3.159 20 10 DGCDRO CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815560716 627685110 /nfs/dbraw/zinc/68/51/10/627685110.db2.gz NYFNUEYFTAZFIK-NWDGAFQWSA-N 1 0 316.367 3.403 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCOCC2CCOCC2)c(O)c1 ZINC000815582558 627687632 /nfs/dbraw/zinc/68/76/32/627687632.db2.gz JKUHPEGTPDRIMO-INIZCTEOSA-N 1 0 321.461 3.493 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c(O)c1 ZINC000815598640 627689717 /nfs/dbraw/zinc/68/97/17/627689717.db2.gz ZDEYYNTZNNDXAT-MGPUTAFESA-N 1 0 311.425 3.494 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnnn1-c1ccccc1 ZINC000924901794 627692134 /nfs/dbraw/zinc/69/21/34/627692134.db2.gz VELVUBQUKAHAOL-AWEZNQCLSA-N 1 0 320.396 3.053 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000815633262 627692882 /nfs/dbraw/zinc/69/28/82/627692882.db2.gz KAZCLFSISZWXEV-QAPCUYQASA-N 1 0 319.493 3.346 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c(O)c1 ZINC000815627918 627693114 /nfs/dbraw/zinc/69/31/14/627693114.db2.gz NGSYGPGKEQTVDA-CQSZACIVSA-N 1 0 313.445 3.472 20 10 DGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)C1CC1 ZINC000815651479 627695081 /nfs/dbraw/zinc/69/50/81/627695081.db2.gz UUPQBWOZSCTOCF-XPTSAGLGSA-N 1 0 314.223 3.230 20 10 DGCDRO c1csc(SCCC[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)n1 ZINC000925104381 627708861 /nfs/dbraw/zinc/70/88/61/627708861.db2.gz YDTVHJGDGQTSQL-ZIAGYGMSSA-N 1 0 312.504 3.420 20 10 DGCDRO CCc1nocc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000816481525 627795491 /nfs/dbraw/zinc/79/54/91/627795491.db2.gz ZHASOTHXVWMZSO-MRXNPFEDSA-N 1 0 316.401 3.124 20 10 DGCDRO C[NH+](C)CCC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816495033 627797360 /nfs/dbraw/zinc/79/73/60/627797360.db2.gz HVTXMAGSHUJISR-UHFFFAOYSA-N 1 0 314.832 3.348 20 10 DGCDRO Oc1c(C[N@@H+]2CCCC[C@@H]2C2OCCO2)ccc2ccccc21 ZINC000816501227 627797510 /nfs/dbraw/zinc/79/75/10/627797510.db2.gz BBNMLBQZODVXPQ-QGZVFWFLSA-N 1 0 313.397 3.273 20 10 DGCDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816553261 627806668 /nfs/dbraw/zinc/80/66/68/627806668.db2.gz OOZPUOKJWDVNDJ-UHFFFAOYSA-N 1 0 301.386 3.367 20 10 DGCDRO CC(C)(C)N1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CC1=O ZINC000816555950 627807189 /nfs/dbraw/zinc/80/71/89/627807189.db2.gz VCNZCXGSKCLUMC-OAHLLOKOSA-N 1 0 312.413 3.034 20 10 DGCDRO Oc1c(C[NH2+]Cc2cnc3n2CCCC3)ccc2ccccc21 ZINC000816603151 627813317 /nfs/dbraw/zinc/81/33/17/627813317.db2.gz AOPPCTTZFFXYHO-UHFFFAOYSA-N 1 0 307.397 3.368 20 10 DGCDRO OCCC[N@H+](Cc1ccccn1)Cc1ccc2ccccc2c1O ZINC000816611356 627814945 /nfs/dbraw/zinc/81/49/45/627814945.db2.gz NWIQPSLKGACGDI-UHFFFAOYSA-N 1 0 322.408 3.325 20 10 DGCDRO Cc1cc(Cl)cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000816643065 627818236 /nfs/dbraw/zinc/81/82/36/627818236.db2.gz UDTJHSMRWPDUAQ-QGZVFWFLSA-N 1 0 308.853 3.272 20 10 DGCDRO Cc1cc(C[N@H+]2C[C@H](O)CC[C@H]2C)ccc1N1CCCCC1 ZINC000817289179 627878920 /nfs/dbraw/zinc/87/89/20/627878920.db2.gz UICHQFJUZGRRPL-SJLPKXTDSA-N 1 0 302.462 3.331 20 10 DGCDRO CC[C@@H]1C[NH+](Cc2c(O)ccc3ccncc32)C[C@@H](CC)O1 ZINC000817366201 627890333 /nfs/dbraw/zinc/89/03/33/627890333.db2.gz PZYUDUOTMGBCHZ-HUUCEWRRSA-N 1 0 300.402 3.330 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1cn(C)cn1 ZINC000926596568 627919830 /nfs/dbraw/zinc/91/98/30/627919830.db2.gz PWLXUVLBTTXQBP-LSDHHAIUSA-N 1 0 300.450 3.076 20 10 DGCDRO Cc1nonc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000926597136 627919921 /nfs/dbraw/zinc/91/99/21/627919921.db2.gz USVWFJIKKTWJNR-QWHCGFSZSA-N 1 0 302.422 3.034 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(C)cc1O ZINC000817585698 627926125 /nfs/dbraw/zinc/92/61/25/627926125.db2.gz GXPWBRLZVUZXEL-IIAWOOMASA-N 1 0 304.434 3.033 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1ccc(C)cc1O ZINC000817587291 627926793 /nfs/dbraw/zinc/92/67/93/627926793.db2.gz DKVOSHCBOAAZSB-ZBFHGGJFSA-N 1 0 307.434 3.325 20 10 DGCDRO C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817902527 627956753 /nfs/dbraw/zinc/95/67/53/627956753.db2.gz SKKMUDPIIZVUAM-VQIMIIECSA-N 1 0 301.478 3.153 20 10 DGCDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000817938028 627966761 /nfs/dbraw/zinc/96/67/61/627966761.db2.gz BRQWZFFBYHFRBP-PMACEKPBSA-N 1 0 309.457 3.338 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000817938968 627967311 /nfs/dbraw/zinc/96/73/11/627967311.db2.gz WNRRDMUONLWSPB-RBUKOAKNSA-N 1 0 313.420 3.169 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000817939098 627967543 /nfs/dbraw/zinc/96/75/43/627967543.db2.gz YVTNBBNCUWOFDW-SCLBCKFNSA-N 1 0 301.409 3.242 20 10 DGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnc(Cl)c1 ZINC000817939895 627968018 /nfs/dbraw/zinc/96/80/18/627968018.db2.gz CZZLFMAMADQPMA-WBMJQRKESA-N 1 0 318.852 3.152 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(O)c1 ZINC000817942252 627968345 /nfs/dbraw/zinc/96/83/45/627968345.db2.gz NNLIYVRTTPJBQP-KBXCAEBGSA-N 1 0 313.445 3.117 20 10 DGCDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940730 627968994 /nfs/dbraw/zinc/96/89/94/627968994.db2.gz HMYZVRCSHRITFZ-VOBQZIQPSA-N 1 0 309.457 3.276 20 10 DGCDRO CCc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000817942354 627969843 /nfs/dbraw/zinc/96/98/43/627969843.db2.gz OLBGSHGSGHARGM-CXAGYDPISA-N 1 0 301.434 3.259 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000817942703 627970019 /nfs/dbraw/zinc/97/00/19/627970019.db2.gz QGSOGGMWIRASIH-GOSISDBHSA-N 1 0 301.478 3.311 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817946575 627970781 /nfs/dbraw/zinc/97/07/81/627970781.db2.gz ZWSKCESMLDWQRJ-ZJUUUORDSA-N 1 0 303.233 3.349 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817945720 627970880 /nfs/dbraw/zinc/97/08/80/627970880.db2.gz KHTDIWDQOOKLFM-GHMZBOCLSA-N 1 0 302.340 3.061 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(F)cc(F)c1[O-] ZINC000817948364 627971547 /nfs/dbraw/zinc/97/15/47/627971547.db2.gz IOYFFVKARAHELS-NSHDSACASA-N 1 0 306.356 3.022 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(F)cc(F)c1[O-] ZINC000817948362 627971806 /nfs/dbraw/zinc/97/18/06/627971806.db2.gz IOYFFVKARAHELS-LLVKDONJSA-N 1 0 306.356 3.022 20 10 DGCDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817952803 627973194 /nfs/dbraw/zinc/97/31/94/627973194.db2.gz SUHLOQFKPPKBLB-ZBFHGGJFSA-N 1 0 305.441 3.219 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817954227 627973445 /nfs/dbraw/zinc/97/34/45/627973445.db2.gz WGPJMZHPZUWCJD-MFKMUULPSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1N(C)C ZINC000817955757 627973878 /nfs/dbraw/zinc/97/38/78/627973878.db2.gz HARWAKVEOKWYRJ-ZDUSSCGKSA-N 1 0 301.409 3.367 20 10 DGCDRO Cc1c([C@H](C)[NH2+]CCc2ccc(N)cc2)cnn1C(C)(C)C ZINC000817956746 627973959 /nfs/dbraw/zinc/97/39/59/627973959.db2.gz BVOJRNKWDYXMNW-ZDUSSCGKSA-N 1 0 300.450 3.422 20 10 DGCDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817956711 627974268 /nfs/dbraw/zinc/97/42/68/627974268.db2.gz BAJCFNUKXRFDJB-MRXNPFEDSA-N 1 0 300.377 3.236 20 10 DGCDRO C[C@@H]([NH3+])c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000817997644 627985240 /nfs/dbraw/zinc/98/52/40/627985240.db2.gz UCNDCBJKLXLTKY-CYBMUJFWSA-N 1 0 324.424 3.221 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 ZINC000926940816 627985793 /nfs/dbraw/zinc/98/57/93/627985793.db2.gz WORSJIBMCZPWNE-RMRDIRSESA-N 1 0 300.446 3.384 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1 ZINC000927013726 627997603 /nfs/dbraw/zinc/99/76/03/627997603.db2.gz LZKHVVWBTUYTBN-GJZGRUSLSA-N 1 0 305.418 3.079 20 10 DGCDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000927014497 627997615 /nfs/dbraw/zinc/99/76/15/627997615.db2.gz CGXVKACOGDICPE-JQWIXIFHSA-N 1 0 316.239 3.356 20 10 DGCDRO CCC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000927016143 627998394 /nfs/dbraw/zinc/99/83/94/627998394.db2.gz HRZNSJQUULFBKP-PWSUYJOCSA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c2c1c(F)ccc2O ZINC000927059562 628004734 /nfs/dbraw/zinc/00/47/34/628004734.db2.gz DIBFOXNHKSHOQJ-ZCNHVBTFSA-N 1 0 321.392 3.352 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ncc(C)s3)C2)cc1 ZINC000818222870 628006503 /nfs/dbraw/zinc/00/65/03/628006503.db2.gz XMHABWBYKCUIOU-AWEZNQCLSA-N 1 0 317.458 3.076 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000818222791 628006523 /nfs/dbraw/zinc/00/65/23/628006523.db2.gz VZKRNAGTOLHHCC-VVLHAWIVSA-N 1 0 318.461 3.067 20 10 DGCDRO CCc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000818222615 628006760 /nfs/dbraw/zinc/00/67/60/628006760.db2.gz VAYNPBKGFFJRMH-HNNXBMFYSA-N 1 0 314.429 3.467 20 10 DGCDRO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000927081675 628010507 /nfs/dbraw/zinc/01/05/07/628010507.db2.gz VFOHQYWAJZINKO-HIFRSBDPSA-N 1 0 301.386 3.002 20 10 DGCDRO CCOCCOCC[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000927086636 628011021 /nfs/dbraw/zinc/01/10/21/628011021.db2.gz HKLKNKFJXROGBC-CQSZACIVSA-N 1 0 301.814 3.139 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@]3(C)CCCO3)C2)cc1 ZINC000818343183 628015501 /nfs/dbraw/zinc/01/55/01/628015501.db2.gz ZBKAGAATRISUCD-MDZRGWNJSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccccn3)C2)cc1 ZINC000818342163 628015841 /nfs/dbraw/zinc/01/58/41/628015841.db2.gz MTNOLWYJYDTTHG-HOTGVXAUSA-N 1 0 311.429 3.267 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(N2CCOCC2)cc1Cl ZINC000818356005 628017957 /nfs/dbraw/zinc/01/79/57/628017957.db2.gz HRFABOQRSHFYGV-LRDDRELGSA-N 1 0 306.837 3.380 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2O)c1 ZINC000927138907 628023984 /nfs/dbraw/zinc/02/39/84/628023984.db2.gz IDMFCPQRLHXNOY-DPMMWBKBSA-N 1 0 313.397 3.100 20 10 DGCDRO C[N@H+](CCCC(C)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000929185356 628222631 /nfs/dbraw/zinc/22/26/31/628222631.db2.gz NDHDITYPVXGEQE-UHFFFAOYSA-N 1 0 312.404 3.390 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1O ZINC000822530197 628461728 /nfs/dbraw/zinc/46/17/28/628461728.db2.gz TVOHUINNIBVWOU-GOSISDBHSA-N 1 0 301.430 3.482 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529823 628461866 /nfs/dbraw/zinc/46/18/66/628461866.db2.gz JTJTTZLJUSHRGD-QGZVFWFLSA-N 1 0 305.393 3.312 20 10 DGCDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823866945 628604550 /nfs/dbraw/zinc/60/45/50/628604550.db2.gz VDIFJDVJCOQGKI-SFHVURJKSA-N 1 0 318.486 3.491 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCCCC2(F)F)cc1OC ZINC000824543574 628668667 /nfs/dbraw/zinc/66/86/67/628668667.db2.gz LLVPGNMAJCYFMQ-LBPRGKRZSA-N 1 0 315.360 3.325 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cc(Br)cc(C)c2O)ccn1 ZINC000824596134 628675393 /nfs/dbraw/zinc/67/53/93/628675393.db2.gz FWASOSBUDMDWPZ-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F ZINC000824696988 628684635 /nfs/dbraw/zinc/68/46/35/628684635.db2.gz WYIXCPIJYLYCLA-SUMDDJOVSA-N 1 0 320.452 3.407 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726257 628687726 /nfs/dbraw/zinc/68/77/26/628687726.db2.gz JXXGFIBMBVZTLD-GOSISDBHSA-N 1 0 319.351 3.261 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c1 ZINC000824764895 628690593 /nfs/dbraw/zinc/69/05/93/628690593.db2.gz DYFDVTPEWXRAHT-ZDUSSCGKSA-N 1 0 304.217 3.464 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000824799166 628694791 /nfs/dbraw/zinc/69/47/91/628694791.db2.gz LCNIYEJASOSYRM-YOEHRIQHSA-N 1 0 307.434 3.332 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c(O)c1 ZINC000824845366 628699511 /nfs/dbraw/zinc/69/95/11/628699511.db2.gz KFDCQLAXCQJSRU-SJLPKXTDSA-N 1 0 309.450 3.170 20 10 DGCDRO C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824914152 628705296 /nfs/dbraw/zinc/70/52/96/628705296.db2.gz NEHKUOPNODDYJI-UHFFFAOYSA-N 1 0 302.821 3.395 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C2(Cc3ccc(F)cc3)CC2)c1 ZINC000825017675 628716802 /nfs/dbraw/zinc/71/68/02/628716802.db2.gz WYQRDHLONMARPV-UHFFFAOYSA-N 1 0 301.361 3.405 20 10 DGCDRO Cc1cc(C)n(CCC[NH2+]Cc2cc(Cl)c(C)cc2O)n1 ZINC000825037351 628719752 /nfs/dbraw/zinc/71/97/52/628719752.db2.gz AWNAHWMJAVXHNT-UHFFFAOYSA-N 1 0 307.825 3.347 20 10 DGCDRO Cc1nn(C)c(C)c1CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825070622 628724902 /nfs/dbraw/zinc/72/49/02/628724902.db2.gz ILXQENCIFKFLMG-UHFFFAOYSA-N 1 0 307.825 3.037 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1Cl ZINC000825096046 628727075 /nfs/dbraw/zinc/72/70/75/628727075.db2.gz BOQOCXZUNGUVJT-UHFFFAOYSA-N 1 0 324.852 3.091 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@H](OC)C3CC3)CC2)cc1 ZINC000825099385 628727572 /nfs/dbraw/zinc/72/75/72/628727572.db2.gz YNOUWUOMGASPPX-LIRRHRJNSA-N 1 0 318.461 3.067 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1 ZINC000825124439 628730333 /nfs/dbraw/zinc/73/03/33/628730333.db2.gz PYZSKMABPKZCIG-ZDUSSCGKSA-N 1 0 316.367 3.017 20 10 DGCDRO Cc1cccc(C[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1O ZINC000825124119 628730401 /nfs/dbraw/zinc/73/04/01/628730401.db2.gz ICVLBHYMDHOWCV-LBPRGKRZSA-N 1 0 316.367 3.017 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C(=O)N2CCCC[C@H]2C)cc1Cl ZINC000825191106 628736241 /nfs/dbraw/zinc/73/62/41/628736241.db2.gz WAUDPNASUVRECJ-CHWSQXEVSA-N 1 0 324.852 3.233 20 10 DGCDRO CCn1nc(C)c(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1C ZINC000825197519 628736998 /nfs/dbraw/zinc/73/69/98/628736998.db2.gz NNRDQNRSUJRILS-UHFFFAOYSA-N 1 0 307.825 3.477 20 10 DGCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825247704 628742173 /nfs/dbraw/zinc/74/21/73/628742173.db2.gz VYXCIQLMMWQLBL-VIFPVBQESA-N 1 0 324.222 3.047 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1F ZINC000825261066 628743693 /nfs/dbraw/zinc/74/36/93/628743693.db2.gz XDVQRWLPLYAKKC-QAPCUYQASA-N 1 0 306.425 3.329 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2cccs2)cc1Cl ZINC000825291758 628747197 /nfs/dbraw/zinc/74/71/97/628747197.db2.gz PLGVHWJDSWLVHZ-HNNXBMFYSA-N 1 0 311.834 3.413 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1Cl ZINC000825354511 628752986 /nfs/dbraw/zinc/75/29/86/628752986.db2.gz XGCYTTGZWODATM-IAGOWNOFSA-N 1 0 303.789 3.102 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c(O)c(C(C)(C)C)c1 ZINC000825451666 628763098 /nfs/dbraw/zinc/76/30/98/628763098.db2.gz XGIRRIBGBIMQRU-ZIAGYGMSSA-N 1 0 321.461 3.291 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]CCOCC1CCC1 ZINC000825525683 628771322 /nfs/dbraw/zinc/77/13/22/628771322.db2.gz IRNCMZVHISJNRA-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO CC[C@]1(O)CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000825567584 628774180 /nfs/dbraw/zinc/77/41/80/628774180.db2.gz KEEYSSFALDRJMC-SFHVURJKSA-N 1 0 307.434 3.045 20 10 DGCDRO CC(C)[N@H+](Cc1ccc(Br)cc1O)[C@@H]1CCOC1 ZINC000825955261 628814986 /nfs/dbraw/zinc/81/49/86/628814986.db2.gz JDRMIPZUZWDOPO-CYBMUJFWSA-N 1 0 314.223 3.154 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000826017535 628820418 /nfs/dbraw/zinc/82/04/18/628820418.db2.gz SFEPLLXURZBJSQ-CQSZACIVSA-N 1 0 321.461 3.293 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)CCCCC[NH3+])cc1 ZINC000826020915 628821017 /nfs/dbraw/zinc/82/10/17/628821017.db2.gz YPGWOHMYNZREQZ-UHFFFAOYSA-N 1 0 305.466 3.010 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cc1Cl ZINC000826064466 628825013 /nfs/dbraw/zinc/82/50/13/628825013.db2.gz KMMAMCOUSUKZLR-YOEHRIQHSA-N 1 0 309.837 3.241 20 10 DGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000826099512 628828511 /nfs/dbraw/zinc/82/85/11/628828511.db2.gz CEGLLHHRAPMEKQ-TZMCWYRMSA-N 1 0 314.223 3.202 20 10 DGCDRO COc1cc(C[N@H+](C[C@H](C)O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000826539536 628857444 /nfs/dbraw/zinc/85/74/44/628857444.db2.gz VHXOEVSQIIKPNM-LBPRGKRZSA-N 1 0 307.434 3.044 20 10 DGCDRO COC1CC(CC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000826797747 628888144 /nfs/dbraw/zinc/88/81/44/628888144.db2.gz XZKBSFFMCKHPLF-UHFFFAOYSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1cccc(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c1O ZINC000826810712 628889840 /nfs/dbraw/zinc/88/98/40/628889840.db2.gz WSOZUJXUEPHEHI-UHFFFAOYSA-N 1 0 322.449 3.436 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1O ZINC000826869032 628897519 /nfs/dbraw/zinc/89/75/19/628897519.db2.gz ZLBDPEYVBQXNLU-CYBMUJFWSA-N 1 0 312.841 3.017 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1Cl ZINC000826910440 628902314 /nfs/dbraw/zinc/90/23/14/628902314.db2.gz HWFOUOGKQZVVOJ-MTJIALIYSA-N 1 0 315.866 3.133 20 10 DGCDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000826910314 628902522 /nfs/dbraw/zinc/90/25/22/628902522.db2.gz FAQMZXHRGSWXDX-WCJKSRRJSA-N 1 0 317.454 3.325 20 10 DGCDRO COCC1(C2CCC2)C[NH+](Cc2ccc(N(C)C)cc2C)C1 ZINC000827011698 628912715 /nfs/dbraw/zinc/91/27/15/628912715.db2.gz MBSHTXCEVKQDAX-UHFFFAOYSA-N 1 0 302.462 3.310 20 10 DGCDRO Oc1c(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)ccc2ccccc21 ZINC000827250828 628941107 /nfs/dbraw/zinc/94/11/07/628941107.db2.gz AWEOXKBHTULTHO-WBVHZDCISA-N 1 0 319.351 3.449 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccnc1N ZINC000827336622 628950900 /nfs/dbraw/zinc/95/09/00/628950900.db2.gz KXJNVOGTAPTYNU-UHFFFAOYSA-N 1 0 310.445 3.286 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000827377025 628953849 /nfs/dbraw/zinc/95/38/49/628953849.db2.gz NQCIHSPVJCQVSQ-KRWDZBQOSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1cc(C[N@@H+]2CCCC[C@H]2CO)ccc1N1CCCCC1 ZINC000827411222 628956502 /nfs/dbraw/zinc/95/65/02/628956502.db2.gz MYGQADDFRYRTKA-SFHVURJKSA-N 1 0 302.462 3.332 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1Cl ZINC000827554393 628969867 /nfs/dbraw/zinc/96/98/67/628969867.db2.gz DHIRBMNBBLHQND-GFCCVEGCSA-N 1 0 324.852 3.091 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cccc(OCC)c1O ZINC000827750608 628988134 /nfs/dbraw/zinc/98/81/34/628988134.db2.gz KZPVVAOEGIROML-QAPCUYQASA-N 1 0 321.417 3.002 20 10 DGCDRO C[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000827947026 629006543 /nfs/dbraw/zinc/00/65/43/629006543.db2.gz YMFABPCRPNGCKI-RHSMWYFYSA-N 1 0 312.413 3.262 20 10 DGCDRO Cc1cc(CN(C)Cc2cnccn2)ccc1N1CCCCC1 ZINC000827998676 629013023 /nfs/dbraw/zinc/01/30/23/629013023.db2.gz AVQSLHJBMNBUEU-UHFFFAOYSA-N 1 0 310.445 3.407 20 10 DGCDRO Cc1cc(CN2CCc3n[nH]cc3C2)ccc1N1CCCCC1 ZINC000828516305 629062100 /nfs/dbraw/zinc/06/21/00/629062100.db2.gz XFZHNNDXTIXDQF-UHFFFAOYSA-N 1 0 310.445 3.267 20 10 DGCDRO Cc1cc(C[N@@H+](C)CC2(O)CCC2)ccc1N1CCCCC1 ZINC000828868515 629103151 /nfs/dbraw/zinc/10/31/51/629103151.db2.gz OKMKIHHNMFWFDY-UHFFFAOYSA-N 1 0 302.462 3.332 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@]2(C)CO)ccc1N1CCCCC1 ZINC000828869015 629103204 /nfs/dbraw/zinc/10/32/04/629103204.db2.gz YHKRMNHWWUXLIF-IBGZPJMESA-N 1 0 302.462 3.332 20 10 DGCDRO COC(=O)c1cnc(SCC[N@H+](C)Cc2ccccc2)s1 ZINC000829678130 629181317 /nfs/dbraw/zinc/18/13/17/629181317.db2.gz ZZZKCJXIZXXVGE-UHFFFAOYSA-N 1 0 322.455 3.154 20 10 DGCDRO Cc1cc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)ccc1N(C)C ZINC000830603604 629287248 /nfs/dbraw/zinc/28/72/48/629287248.db2.gz XDDSIFSDAMFNHE-INIZCTEOSA-N 1 0 302.462 3.452 20 10 DGCDRO CCCCCC[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274423 629458403 /nfs/dbraw/zinc/45/84/03/629458403.db2.gz SZFJHDYMBHZLEX-CRAIPNDOSA-N 1 0 319.493 3.475 20 10 DGCDRO COc1cccc(CC[NH2+][C@H]2CCc3cccc(O)c32)c1OC ZINC000834517917 629719478 /nfs/dbraw/zinc/71/94/78/629719478.db2.gz AKSXCQNTJBZTSC-HNNXBMFYSA-N 1 0 313.397 3.229 20 10 DGCDRO C[C@H]1CCCN(C(C)(C)C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834531454 629720930 /nfs/dbraw/zinc/72/09/30/629720930.db2.gz ZMIQSRMYNUBNFZ-HOCLYGCPSA-N 1 0 302.462 3.480 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@H]1COc3ccccc3O1)CC2 ZINC000834685514 629757096 /nfs/dbraw/zinc/75/70/96/629757096.db2.gz YNXJNBFIANJURI-LSDHHAIUSA-N 1 0 311.381 3.199 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@@H]3SCCS[C@@H]13)CC2 ZINC000834697181 629760486 /nfs/dbraw/zinc/76/04/86/629760486.db2.gz HBUUCTSCBAYXJN-HLSYRSCKSA-N 1 0 307.484 3.349 20 10 DGCDRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000834841579 629788489 /nfs/dbraw/zinc/78/84/89/629788489.db2.gz XHRDGKJQTUIUHR-ZBFHGGJFSA-N 1 0 324.440 3.128 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000834896763 629800821 /nfs/dbraw/zinc/80/08/21/629800821.db2.gz NOCJJTXWPZIOJB-NWDGAFQWSA-N 1 0 307.825 3.369 20 10 DGCDRO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccc(Br)cc1O ZINC000834905655 629804829 /nfs/dbraw/zinc/80/48/29/629804829.db2.gz VHNIPEKUXCIIJQ-RNCFNFMXSA-N 1 0 314.223 3.230 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c1 ZINC000834910827 629806632 /nfs/dbraw/zinc/80/66/32/629806632.db2.gz FWPZDWZDWSXQTD-GRDNDAEWSA-N 1 0 315.417 3.005 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000835026073 629828055 /nfs/dbraw/zinc/82/80/55/629828055.db2.gz PEFSTINFGKLVHO-UEKDZROGSA-N 1 0 313.489 3.184 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000835025805 629828248 /nfs/dbraw/zinc/82/82/48/629828248.db2.gz NPLVQYMPIUPLEF-MAVJXHJTSA-N 1 0 310.445 3.369 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@](C)(O)c2ccccc2)cc1 ZINC000835038960 629831000 /nfs/dbraw/zinc/83/10/00/629831000.db2.gz DOPJPTZQCVFMQQ-AQKVLALTSA-N 1 0 310.441 3.263 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@](C)(CO)c2ccccc2)cc1 ZINC000835039081 629831372 /nfs/dbraw/zinc/83/13/72/629831372.db2.gz GDWXKFGZLBORAT-AQWUKCDYSA-N 1 0 310.441 3.263 20 10 DGCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H](O)Cc1ccccc1 ZINC000835040763 629832242 /nfs/dbraw/zinc/83/22/42/629832242.db2.gz GWDVLUPFXYYQRS-KWOXBMRISA-N 1 0 324.468 3.348 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000835046719 629834838 /nfs/dbraw/zinc/83/48/38/629834838.db2.gz MGROWFYTGGKNDS-NIJUFFONSA-N 1 0 300.446 3.313 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000835048030 629835786 /nfs/dbraw/zinc/83/57/86/629835786.db2.gz DRHDQWLSVNRUGL-WLPBJKJWSA-N 1 0 324.472 3.379 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(CCCO)CC2)cc1 ZINC000835048560 629835815 /nfs/dbraw/zinc/83/58/15/629835815.db2.gz VGANZZOWDFILQZ-HWKANZROSA-N 1 0 302.462 3.250 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000835049553 629836323 /nfs/dbraw/zinc/83/63/23/629836323.db2.gz KAEYMBVNYXFOJN-WAPNLOFKSA-N 1 0 300.446 3.409 20 10 DGCDRO C[C@H](CO)[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC1CCC1 ZINC000835049526 629836365 /nfs/dbraw/zinc/83/63/65/629836365.db2.gz JNGKWIMMZCHXST-CDVVCGDMSA-N 1 0 302.462 3.249 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c(O)c1 ZINC000835053242 629837427 /nfs/dbraw/zinc/83/74/27/629837427.db2.gz UVMZAZQLNMBNQY-PLNGDYQASA-N 1 0 312.413 3.270 20 10 DGCDRO CC[C@@H](C)[NH+]1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835053883 629837550 /nfs/dbraw/zinc/83/75/50/629837550.db2.gz FUMNILFRTTUJTH-JTGQJZMRSA-N 1 0 301.478 3.182 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000835054658 629838920 /nfs/dbraw/zinc/83/89/20/629838920.db2.gz LZCBAWLLDHLVDS-OOFWQKGWSA-N 1 0 302.462 3.249 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1 ZINC000835061774 629841238 /nfs/dbraw/zinc/84/12/38/629841238.db2.gz OBZIOKDTNPDMKY-IBGZPJMESA-N 1 0 317.477 3.071 20 10 DGCDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1c(O)cccc1Cl ZINC000835076275 629845073 /nfs/dbraw/zinc/84/50/73/629845073.db2.gz GQDXPAXNAMYCDZ-UHFFFAOYSA-N 1 0 307.825 3.437 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1C[C@@H]1C ZINC000840756823 630356171 /nfs/dbraw/zinc/35/61/71/630356171.db2.gz CVZIQXWUVBPWJK-JDFRZJQESA-N 1 0 324.415 3.326 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1 ZINC000840846512 630366176 /nfs/dbraw/zinc/36/61/76/630366176.db2.gz IBOZGKJAUOAINC-WILYLXEWSA-N 1 0 313.397 3.364 20 10 DGCDRO CCc1ncc(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)cn1 ZINC000840897028 630374484 /nfs/dbraw/zinc/37/44/84/630374484.db2.gz NSZWWOWWLYTKRI-UHFFFAOYSA-N 1 0 316.424 3.314 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1Cc2ccccc2C1 ZINC000840928997 630379425 /nfs/dbraw/zinc/37/94/25/630379425.db2.gz KCHPJFOVNNJDLI-UHFFFAOYSA-N 1 0 309.457 3.166 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000840934762 630380542 /nfs/dbraw/zinc/38/05/42/630380542.db2.gz XCGBHNBXCRDVMF-IFXJQAMLSA-N 1 0 316.420 3.412 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000840938121 630381438 /nfs/dbraw/zinc/38/14/38/630381438.db2.gz ZMZSJDZPARRHLZ-INIZCTEOSA-N 1 0 304.478 3.339 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000840946071 630382117 /nfs/dbraw/zinc/38/21/17/630382117.db2.gz DZOYMFDQMNHWLS-MSOLQXFVSA-N 1 0 302.462 3.450 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000840948626 630382468 /nfs/dbraw/zinc/38/24/68/630382468.db2.gz HCKCYUSHNDXKHO-LJQANCHMSA-N 1 0 314.473 3.452 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c(OC)n1 ZINC000840947324 630382634 /nfs/dbraw/zinc/38/26/34/630382634.db2.gz GEIZSHOMFSKYJH-UHFFFAOYSA-N 1 0 322.792 3.056 20 10 DGCDRO Cc1cc(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(Cl)c1 ZINC000840948014 630382941 /nfs/dbraw/zinc/38/29/41/630382941.db2.gz JIXYPYLQJQYIJB-ZIAGYGMSSA-N 1 0 308.853 3.413 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000840949586 630383274 /nfs/dbraw/zinc/38/32/74/630383274.db2.gz YPOKIXQIHNRRMH-MOPGFXCFSA-N 1 0 300.446 3.204 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000840950414 630383705 /nfs/dbraw/zinc/38/37/05/630383705.db2.gz IBGSEJSNTPSKLN-GUDVDZBRSA-N 1 0 302.462 3.186 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840957049 630384703 /nfs/dbraw/zinc/38/47/03/630384703.db2.gz HZCJBTNSMWNYTB-UXHICEINSA-N 1 0 310.441 3.369 20 10 DGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000840956101 630384836 /nfs/dbraw/zinc/38/48/36/630384836.db2.gz AWWBLKDFEPLMET-FUHWJXTLSA-N 1 0 313.397 3.099 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000840958229 630384939 /nfs/dbraw/zinc/38/49/39/630384939.db2.gz OAZWMDABKJDGAZ-QFBILLFUSA-N 1 0 314.404 3.200 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840957051 630384966 /nfs/dbraw/zinc/38/49/66/630384966.db2.gz HZCJBTNSMWNYTB-WOJBJXKFSA-N 1 0 310.441 3.369 20 10 DGCDRO [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841029997 630398266 /nfs/dbraw/zinc/39/82/66/630398266.db2.gz IVPQEKSIJPAWAN-ZANVPECISA-N 1 0 303.233 3.306 20 10 DGCDRO C[C@H]1CN(Cc2cc(F)ccc2O)c2cc(F)ccc2C[NH2+]1 ZINC000841048322 630401846 /nfs/dbraw/zinc/40/18/46/630401846.db2.gz XIBKDTHDARHTEQ-NSHDSACASA-N 1 0 304.340 3.169 20 10 DGCDRO Oc1c(F)cc(Cl)cc1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841082134 630405311 /nfs/dbraw/zinc/40/53/11/630405311.db2.gz IEKUOWGGKAKFDB-UHFFFAOYSA-N 1 0 322.767 3.279 20 10 DGCDRO CN(C)c1ccc(CN[C@H]2CCCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000841089684 630406652 /nfs/dbraw/zinc/40/66/52/630406652.db2.gz JSEMDQDGOVVVKE-ZDUSSCGKSA-N 1 0 315.383 3.003 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(Cl)cc1O ZINC000841743604 630461209 /nfs/dbraw/zinc/46/12/09/630461209.db2.gz BGFPOXCFGUYZMR-LLVKDONJSA-N 1 0 305.809 3.357 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(Cl)cc1O ZINC000841750676 630462014 /nfs/dbraw/zinc/46/20/14/630462014.db2.gz ABDNZYKZXSYACC-LLVKDONJSA-N 1 0 305.809 3.429 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000841760358 630462871 /nfs/dbraw/zinc/46/28/71/630462871.db2.gz UPAJBVRBWQROKJ-NURSFMCSSA-N 1 0 314.223 3.027 20 10 DGCDRO C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000841763914 630463425 /nfs/dbraw/zinc/46/34/25/630463425.db2.gz SNGDKULWWYHEDL-INIZCTEOSA-N 1 0 301.478 3.422 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC(F)F)C2)c2c1c(F)ccc2O ZINC000841765371 630463736 /nfs/dbraw/zinc/46/37/36/630463736.db2.gz RCBXEVXYDDIVRJ-SCVCMEIPSA-N 1 0 314.351 3.009 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cncn2CC)cc1 ZINC000841828898 630469885 /nfs/dbraw/zinc/46/98/85/630469885.db2.gz MQCYGFXUBQQYFQ-UHFFFAOYSA-N 1 0 300.450 3.381 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2COc2cccnc2C)c1 ZINC000841897009 630474728 /nfs/dbraw/zinc/47/47/28/630474728.db2.gz SISAHJQKWKGOEL-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CCO)c2ccccc2F)c1 ZINC000842763157 630573404 /nfs/dbraw/zinc/57/34/04/630573404.db2.gz LWIHTPXEORFDOV-QGZVFWFLSA-N 1 0 319.376 3.143 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000842842678 630584632 /nfs/dbraw/zinc/58/46/32/630584632.db2.gz ZTJLREAJUXDQSQ-HNNXBMFYSA-N 1 0 312.461 3.445 20 10 DGCDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000842908465 630592852 /nfs/dbraw/zinc/59/28/52/630592852.db2.gz NDDUKHJIOKNXHU-ATZDWAIDSA-N 1 0 318.461 3.131 20 10 DGCDRO CCCN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000843053504 630608612 /nfs/dbraw/zinc/60/86/12/630608612.db2.gz ZJFAEEDCPXPPQO-LJQANCHMSA-N 1 0 301.478 3.251 20 10 DGCDRO Cc1cccc(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1O ZINC000843051777 630609003 /nfs/dbraw/zinc/60/90/03/630609003.db2.gz DPGVNBBSAGCUID-IBGZPJMESA-N 1 0 310.441 3.455 20 10 DGCDRO CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000843056454 630609391 /nfs/dbraw/zinc/60/93/91/630609391.db2.gz KKWZEALIKIJVSM-LJQANCHMSA-N 1 0 303.494 3.482 20 10 DGCDRO Cc1ccc(-c2n[nH]cc2CN2CCCc3cc(C[NH3+])ccc32)o1 ZINC000843057640 630609618 /nfs/dbraw/zinc/60/96/18/630609618.db2.gz GHHNTUXPAXKCNT-UHFFFAOYSA-N 1 0 322.412 3.390 20 10 DGCDRO COc1cccc(C[N@H+](C)CCOc2ccccc2C)c1O ZINC000121538309 630647227 /nfs/dbraw/zinc/64/72/27/630647227.db2.gz UHFQVSFORVXOBC-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000843417774 630654252 /nfs/dbraw/zinc/65/42/52/630654252.db2.gz KRPQCZCRHLKUJJ-CYBMUJFWSA-N 1 0 305.374 3.174 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1F ZINC000843418220 630654921 /nfs/dbraw/zinc/65/49/21/630654921.db2.gz ZGDBJQBKPXGKMV-WBVHZDCISA-N 1 0 306.425 3.283 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CO1 ZINC000843432176 630658302 /nfs/dbraw/zinc/65/83/02/630658302.db2.gz IRVGHLPEKCGYSC-WMLDXEAASA-N 1 0 313.397 3.238 20 10 DGCDRO CCc1noc(-c2ccc(CC[NH2+]Cc3ccccc3O)cc2)n1 ZINC000105491506 630718552 /nfs/dbraw/zinc/71/85/52/630718552.db2.gz GPZNRFGRYABYQW-UHFFFAOYSA-N 1 0 323.396 3.337 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccnc(Cl)c2)cc1 ZINC000844399855 630724511 /nfs/dbraw/zinc/72/45/11/630724511.db2.gz QIJBREYGCVQPBD-UHFFFAOYSA-N 1 0 319.836 3.312 20 10 DGCDRO CC(C)O[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000844716173 630804941 /nfs/dbraw/zinc/80/49/41/630804941.db2.gz IJJMDGKNECWOBD-HNNXBMFYSA-N 1 0 300.402 3.330 20 10 DGCDRO CCn1cc(C[N@H+](Cc2cc(C)cc(OC)c2O)C(C)C)cn1 ZINC000844737449 630823400 /nfs/dbraw/zinc/82/34/00/630823400.db2.gz DBDOLEZQFKMXMI-UHFFFAOYSA-N 1 0 317.433 3.336 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1OC ZINC000844751535 630836255 /nfs/dbraw/zinc/83/62/55/630836255.db2.gz URRYGCUVIUXBLL-HNNXBMFYSA-N 1 0 313.344 3.031 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CNc3ccccc3C2)c(Cl)c1 ZINC000844906625 630972948 /nfs/dbraw/zinc/97/29/48/630972948.db2.gz VNFSEPNLSIGDPG-ZDUSSCGKSA-N 1 0 302.805 3.480 20 10 DGCDRO CC(C)(C)OC(=O)NCCC1CC([NH2+]Cc2ccccc2O)C1 ZINC000845930882 631202671 /nfs/dbraw/zinc/20/26/71/631202671.db2.gz XJFYRLFIVYEURG-UHFFFAOYSA-N 1 0 320.433 3.175 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000845971451 631204326 /nfs/dbraw/zinc/20/43/26/631204326.db2.gz KMKOEHIPYVTFCS-GFCCVEGCSA-N 1 0 316.357 3.468 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@](C)(O)c1ccccc1 ZINC000846035743 631207157 /nfs/dbraw/zinc/20/71/57/631207157.db2.gz DIJWPHRGMLTXKD-KUHUBIRLSA-N 1 0 316.420 3.278 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@](C)(O)c1ccccc1 ZINC000846039715 631207548 /nfs/dbraw/zinc/20/75/48/631207548.db2.gz REIIPMROSBTYCO-SJKOYZFVSA-N 1 0 305.805 3.431 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H]1SC ZINC000846055787 631208651 /nfs/dbraw/zinc/20/86/51/631208651.db2.gz NTWNHZIEDBZFKJ-IACUBPJLSA-N 1 0 301.839 3.044 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CO)CCF)c1ccc(C(F)(F)F)cc1O ZINC000846096656 631209448 /nfs/dbraw/zinc/20/94/48/631209448.db2.gz JMIANYDKOJHBAU-PWSUYJOCSA-N 1 0 309.303 3.172 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]CCC[C@H]1CC1(Cl)Cl)OCO2 ZINC000846103476 631209716 /nfs/dbraw/zinc/20/97/16/631209716.db2.gz YTSQWEAJQJOCTA-JTQLQIEISA-N 1 0 318.200 3.185 20 10 DGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118766 631210855 /nfs/dbraw/zinc/21/08/55/631210855.db2.gz YVRAZANMWUPEJS-LBPRGKRZSA-N 1 0 318.161 3.386 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)c1O ZINC000846136325 631211456 /nfs/dbraw/zinc/21/14/56/631211456.db2.gz KMZFKRPAENYOJI-LBPRGKRZSA-N 1 0 314.385 3.210 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1O ZINC000846141789 631211581 /nfs/dbraw/zinc/21/15/81/631211581.db2.gz STNUFADOHOZFDB-CYBMUJFWSA-N 1 0 316.401 3.434 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCN(C)Cc2ccccc2)c1O ZINC000846142155 631211582 /nfs/dbraw/zinc/21/15/82/631211582.db2.gz CKZRAXYWIBNDHL-OAHLLOKOSA-N 1 0 314.429 3.183 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)c1O ZINC000846139870 631211603 /nfs/dbraw/zinc/21/16/03/631211603.db2.gz VYEYPRYOEJJXGZ-ZNMIVQPWSA-N 1 0 306.450 3.314 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@H]2C)c1O ZINC000846139867 631211648 /nfs/dbraw/zinc/21/16/48/631211648.db2.gz VYEYPRYOEJJXGZ-KFWWJZLASA-N 1 0 306.450 3.314 20 10 DGCDRO COc1cccc(CC[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846140689 631211672 /nfs/dbraw/zinc/21/16/72/631211672.db2.gz YLLAYJPVLYNHDV-ZDUSSCGKSA-N 1 0 301.386 3.303 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccnc2OC(C)C)c1O ZINC000846140371 631211691 /nfs/dbraw/zinc/21/16/91/631211691.db2.gz PMBQBMHMJGUPBJ-ZDUSSCGKSA-N 1 0 316.401 3.434 20 10 DGCDRO CCCOc1ncccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846143471 631211788 /nfs/dbraw/zinc/21/17/88/631211788.db2.gz IVUNVDTVPDIXFE-CYBMUJFWSA-N 1 0 316.401 3.435 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846145060 631211802 /nfs/dbraw/zinc/21/18/02/631211802.db2.gz JXJMEHGQDQNRDK-GDBMZVCRSA-N 1 0 315.413 3.309 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCOc2cccc(C)c2)c1O ZINC000846147620 631212012 /nfs/dbraw/zinc/21/20/12/631212012.db2.gz WNKYDMYXMJVCDR-AWEZNQCLSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(N(C)C)c2)c1O ZINC000846146053 631212110 /nfs/dbraw/zinc/21/21/10/631212110.db2.gz PMDGQDTUJOKRML-CYBMUJFWSA-N 1 0 300.402 3.318 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccco2)c1O ZINC000846151403 631212267 /nfs/dbraw/zinc/21/22/67/631212267.db2.gz XTDRSYGKEYJPLL-OBJOEFQTSA-N 1 0 305.374 3.157 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c1O ZINC000846152964 631212399 /nfs/dbraw/zinc/21/23/99/631212399.db2.gz WADIAJXSCKQOSC-ZQIUZPCESA-N 1 0 315.413 3.216 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1O ZINC000846161360 631212748 /nfs/dbraw/zinc/21/27/48/631212748.db2.gz YAXRVQFVVYWUMS-WPPQDWHVSA-N 1 0 317.429 3.399 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c1O ZINC000846157571 631212799 /nfs/dbraw/zinc/21/27/99/631212799.db2.gz FMTCTYLQIZJUTG-KGLIPLIRSA-N 1 0 307.434 3.240 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1O ZINC000846164959 631213030 /nfs/dbraw/zinc/21/30/30/631213030.db2.gz JKGGIIITZUVHPM-GFCCVEGCSA-N 1 0 316.357 3.468 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000846177718 631213784 /nfs/dbraw/zinc/21/37/84/631213784.db2.gz FILMTLTZOUALIC-IIBYNOLFSA-N 1 0 324.468 3.280 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846183452 631214160 /nfs/dbraw/zinc/21/41/60/631214160.db2.gz OKNBCNHSEDDZEW-NVGCLXPQSA-N 1 0 319.376 3.313 20 10 DGCDRO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000846475231 631250437 /nfs/dbraw/zinc/25/04/37/631250437.db2.gz DRKGAQJLPPAOQJ-HNNXBMFYSA-N 1 0 322.836 3.069 20 10 DGCDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000846704293 631289768 /nfs/dbraw/zinc/28/97/68/631289768.db2.gz UIQCEXXXLAXETE-YPMHNXCESA-N 1 0 315.383 3.083 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1O ZINC000847038625 631387663 /nfs/dbraw/zinc/38/76/63/631387663.db2.gz USWMAJBTYJKHOP-INIZCTEOSA-N 1 0 321.392 3.267 20 10 DGCDRO C[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)[C@H]1CCOC1 ZINC000106858097 631476581 /nfs/dbraw/zinc/47/65/81/631476581.db2.gz FSECKKCKMCOGPK-LBPRGKRZSA-N 1 0 301.386 3.238 20 10 DGCDRO C[NH2+][C@@H](C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000848427386 631660406 /nfs/dbraw/zinc/66/04/06/631660406.db2.gz LJFJQXUNACFGBO-GJZGRUSLSA-N 1 0 312.413 3.090 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1O ZINC000848497513 631670134 /nfs/dbraw/zinc/67/01/34/631670134.db2.gz MMHJWUZUQBTUIW-INIZCTEOSA-N 1 0 305.418 3.243 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000848498408 631671207 /nfs/dbraw/zinc/67/12/07/631671207.db2.gz SCFCPINAWCLTAD-INIZCTEOSA-N 1 0 312.413 3.474 20 10 DGCDRO CCc1cccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1O ZINC000848887273 631771714 /nfs/dbraw/zinc/77/17/14/631771714.db2.gz RVCJBUPHTAYYPT-IBGZPJMESA-N 1 0 311.425 3.436 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000848892589 631775691 /nfs/dbraw/zinc/77/56/91/631775691.db2.gz BDUQVQAIPGXXLJ-AWEZNQCLSA-N 1 0 322.412 3.386 20 10 DGCDRO CCc1cccc(C[NH2+]C2CCN(C(=O)OC(C)C)CC2)c1O ZINC000848897704 631777853 /nfs/dbraw/zinc/77/78/53/631777853.db2.gz SXNIUCYQDWBWGX-UHFFFAOYSA-N 1 0 320.433 3.054 20 10 DGCDRO CCc1cccc(C[NH2+]CCOc2ncccc2Cl)c1O ZINC000848897474 631777885 /nfs/dbraw/zinc/77/78/85/631777885.db2.gz JOVKRDZLLHHESK-UHFFFAOYSA-N 1 0 306.793 3.172 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1O ZINC000848899491 631779023 /nfs/dbraw/zinc/77/90/23/631779023.db2.gz OZLKSUXDUMISOK-INIZCTEOSA-N 1 0 321.486 3.489 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1O ZINC000848900973 631779840 /nfs/dbraw/zinc/77/98/40/631779840.db2.gz SNXOXRBQJOIIHR-IJEWVQPXSA-N 1 0 309.500 3.424 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2nn(C)c3ccccc23)c1O ZINC000848903980 631780513 /nfs/dbraw/zinc/78/05/13/631780513.db2.gz HVJRNXMMNXYEEA-UHFFFAOYSA-N 1 0 309.413 3.174 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1O ZINC000848916696 631786343 /nfs/dbraw/zinc/78/63/43/631786343.db2.gz WMAVIJQXLWHTBM-QZTJIDSGSA-N 1 0 312.413 3.360 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000848916697 631786607 /nfs/dbraw/zinc/78/66/07/631786607.db2.gz WMAVIJQXLWHTBM-ROUUACIJSA-N 1 0 312.413 3.360 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1O ZINC000848928010 631792013 /nfs/dbraw/zinc/79/20/13/631792013.db2.gz UCLPATMISMCRMO-CVEARBPZSA-N 1 0 308.853 3.461 20 10 DGCDRO CCN(CC)c1ccc(CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000849071339 631826290 /nfs/dbraw/zinc/82/62/90/631826290.db2.gz IVUBUHBQWXQOAQ-UHFFFAOYSA-N 1 0 302.466 3.479 20 10 DGCDRO CCN(CC)c1ccc(CNC(=[NH2+])NC2CCCC2)cc1F ZINC000849076835 631827460 /nfs/dbraw/zinc/82/74/60/631827460.db2.gz ZOAFDWDJCTUXPI-UHFFFAOYSA-N 1 0 306.429 3.228 20 10 DGCDRO CC[C@@H](CCO)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850182603 632074951 /nfs/dbraw/zinc/07/49/51/632074951.db2.gz ILPOZZLCUYCTDM-ZDUSSCGKSA-N 1 0 309.450 3.197 20 10 DGCDRO CC[C@](C)(CCO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850190830 632075658 /nfs/dbraw/zinc/07/56/58/632075658.db2.gz MHYRNYLEIIGFEH-GOSISDBHSA-N 1 0 309.450 3.339 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c(O)c(C(C)(C)C)c1 ZINC000850252822 632094830 /nfs/dbraw/zinc/09/48/30/632094830.db2.gz HLVUILHFRNVWKC-SUMWQHHRSA-N 1 0 321.461 3.339 20 10 DGCDRO COc1cc(C[NH2+]Cc2snnc2C)c(O)c(C(C)(C)C)c1 ZINC000850309577 632110651 /nfs/dbraw/zinc/11/06/51/632110651.db2.gz YTKUBDMTXWZAOV-UHFFFAOYSA-N 1 0 321.446 3.148 20 10 DGCDRO COc1cc(C[NH2+]CC2=CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850314266 632111707 /nfs/dbraw/zinc/11/17/07/632111707.db2.gz SSEVZPUSNOEZHD-UHFFFAOYSA-N 1 0 305.418 3.135 20 10 DGCDRO COc1cc(C[NH2+]Cc2cnc(C)o2)c(O)c(C(C)(C)C)c1 ZINC000850323100 632113300 /nfs/dbraw/zinc/11/33/00/632113300.db2.gz DKRPVFRYPUZWRC-UHFFFAOYSA-N 1 0 304.390 3.285 20 10 DGCDRO COc1cncc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000850328226 632114997 /nfs/dbraw/zinc/11/49/97/632114997.db2.gz RLZXUDSUVVYPBB-OAHLLOKOSA-N 1 0 313.445 3.185 20 10 DGCDRO COc1cc(C[NH2+]CCCC2(O)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850329065 632115235 /nfs/dbraw/zinc/11/52/35/632115235.db2.gz HRCVXWPOHIKQPH-UHFFFAOYSA-N 1 0 321.461 3.483 20 10 DGCDRO COCC1(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850338452 632117471 /nfs/dbraw/zinc/11/74/71/632117471.db2.gz HWIHNINDEKNHCI-UHFFFAOYSA-N 1 0 307.434 3.215 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cnc(C(F)(F)F)nc2)cc1C ZINC000850345428 632120000 /nfs/dbraw/zinc/12/00/00/632120000.db2.gz ZZUWUWUIVOTZMR-UHFFFAOYSA-N 1 0 311.307 3.108 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(F)cc3F)C2)cc1 ZINC000850345601 632120327 /nfs/dbraw/zinc/12/03/27/632120327.db2.gz FVSUVICFHBGTCG-OAHLLOKOSA-N 1 0 318.367 3.342 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000850352669 632122779 /nfs/dbraw/zinc/12/27/79/632122779.db2.gz DQFSDMHEKDPTOX-UHFFFAOYSA-N 1 0 317.820 3.331 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1 ZINC000850356331 632123370 /nfs/dbraw/zinc/12/33/70/632123370.db2.gz OMJZXKNEODVQTF-TVTNDZMWSA-N 1 0 322.518 3.312 20 10 DGCDRO CSCC1(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000850355285 632123789 /nfs/dbraw/zinc/12/37/89/632123789.db2.gz DKLAZUPFQGHIMQ-UHFFFAOYSA-N 1 0 320.502 3.146 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)ccc1OC ZINC000850379688 632133141 /nfs/dbraw/zinc/13/31/41/632133141.db2.gz VLHGFFDOUOHJOH-RHSMWYFYSA-N 1 0 307.434 3.279 20 10 DGCDRO CC[C@](C)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000850383526 632134089 /nfs/dbraw/zinc/13/40/89/632134089.db2.gz GSABYNUMHBDZMQ-SFHVURJKSA-N 1 0 306.425 3.331 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c1 ZINC000850382717 632134098 /nfs/dbraw/zinc/13/40/98/632134098.db2.gz VJSJLAKIVPDECG-INIZCTEOSA-N 1 0 318.461 3.288 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1F ZINC000850386628 632134939 /nfs/dbraw/zinc/13/49/39/632134939.db2.gz KJJDUNBCHIJBGH-KRWDZBQOSA-N 1 0 300.377 3.374 20 10 DGCDRO COc1cccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)c1O ZINC000850395778 632138839 /nfs/dbraw/zinc/13/88/39/632138839.db2.gz YSLMYPRHNKKIAC-MSOLQXFVSA-N 1 0 315.413 3.249 20 10 DGCDRO CNC(=O)CC1(C[NH2+]Cc2cc(Cl)ccc2O)CCCCC1 ZINC000850399402 632139877 /nfs/dbraw/zinc/13/98/77/632139877.db2.gz LEVPYSIJTKERJU-UHFFFAOYSA-N 1 0 324.852 3.222 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc(F)c3)cc2)CC1 ZINC000850405396 632141460 /nfs/dbraw/zinc/14/14/60/632141460.db2.gz MOPXDUVJJRIUNI-UHFFFAOYSA-N 1 0 314.404 3.077 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000850473986 632163488 /nfs/dbraw/zinc/16/34/88/632163488.db2.gz HAVHUXLAJMRTBV-HOTGVXAUSA-N 1 0 320.502 3.397 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850474844 632163767 /nfs/dbraw/zinc/16/37/67/632163767.db2.gz QXDVYIFUSAJQST-DOTOQJQBSA-N 1 0 302.462 3.293 20 10 DGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)[C@H]1CCOC1 ZINC000850484120 632165812 /nfs/dbraw/zinc/16/58/12/632165812.db2.gz CPZZAWJCUAJXPW-SLEUVZQESA-N 1 0 313.825 3.056 20 10 DGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)[C@H]1CCOC1 ZINC000850484376 632166893 /nfs/dbraw/zinc/16/68/93/632166893.db2.gz HZLAXCJEBGKTPH-QIIPPGSGSA-N 1 0 315.413 3.248 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000850488139 632168133 /nfs/dbraw/zinc/16/81/33/632168133.db2.gz QKIAABOQFKMGCE-ZYSHUDEJSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CC(C)(C)OC3(C)C)C2)cc1 ZINC000850489146 632168564 /nfs/dbraw/zinc/16/85/64/632168564.db2.gz RHUKUEQWUOZKKR-PBHICJAKSA-N 1 0 318.461 3.210 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C1CCOCC1 ZINC000850494743 632170917 /nfs/dbraw/zinc/17/09/17/632170917.db2.gz XURQAPUUXAFVDH-XHDPSFHLSA-N 1 0 313.825 3.138 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cc(Cl)ccc1O ZINC000850503040 632173342 /nfs/dbraw/zinc/17/33/42/632173342.db2.gz TVPLUIFYQZEBLE-SPQIJUHKSA-N 1 0 315.866 3.386 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3cc(F)ccc3C2)c1 ZINC000850537030 632186308 /nfs/dbraw/zinc/18/63/08/632186308.db2.gz MJEXWIGFJRVUNI-SWLSCSKDSA-N 1 0 301.361 3.494 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c(O)c1 ZINC000850540585 632186761 /nfs/dbraw/zinc/18/67/61/632186761.db2.gz NHESMJQFDMFLSP-ZVZYQTTQSA-N 1 0 313.445 3.496 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN2CCC(C)CC2)c1 ZINC000850543126 632188174 /nfs/dbraw/zinc/18/81/74/632188174.db2.gz FRMAMQOPZXEFLN-HUUCEWRRSA-N 1 0 306.450 3.172 20 10 DGCDRO CC[C@@H]([NH2+]CCc1cncc(C)n1)c1cc(Cl)ccc1O ZINC000850549605 632189275 /nfs/dbraw/zinc/18/92/75/632189275.db2.gz HNYWEWQTIJQFEE-OAHLLOKOSA-N 1 0 305.809 3.427 20 10 DGCDRO CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccccc1O ZINC000850561078 632194555 /nfs/dbraw/zinc/19/45/55/632194555.db2.gz HXAMYSRPDWNDTP-QAPCUYQASA-N 1 0 307.434 3.001 20 10 DGCDRO CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(C)cc1O ZINC000850563381 632195438 /nfs/dbraw/zinc/19/54/38/632195438.db2.gz XCJPOEAHLOGZEP-APWZRJJASA-N 1 0 321.461 3.309 20 10 DGCDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565098 632195845 /nfs/dbraw/zinc/19/58/45/632195845.db2.gz ACJHVXVBYBKRGH-BEFAXECRSA-N 1 0 302.462 3.316 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)CC1 ZINC000850568386 632196596 /nfs/dbraw/zinc/19/65/96/632196596.db2.gz WVGLAGTZYUZVBS-IBGZPJMESA-N 1 0 314.473 3.460 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000850583519 632201928 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C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1O ZINC000184912813 660194362 /nfs/dbraw/zinc/19/43/62/660194362.db2.gz FWZQUXSFTPKREJ-MJBXVCDLSA-N 1 0 324.440 3.070 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c1 ZINC000186094649 660266177 /nfs/dbraw/zinc/26/61/77/660266177.db2.gz ZMQJCNWMFPZOPS-YEJXKQKISA-N 1 0 303.427 3.289 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c(O)c1 ZINC000186230583 660350786 /nfs/dbraw/zinc/35/07/86/660350786.db2.gz QHAKACTYUQWQKB-HUUCEWRRSA-N 1 0 305.418 3.427 20 10 DGCDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1cc2c(cc1O)CCCC2 ZINC000186481909 660447038 /nfs/dbraw/zinc/44/70/38/660447038.db2.gz PJVKAWVGTNRBFU-AWEZNQCLSA-N 1 0 303.446 3.474 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1Br)C[C@H]1CCCOC1 ZINC000707139469 660890013 /nfs/dbraw/zinc/89/00/13/660890013.db2.gz JDDRNEGVTBQHKN-LLVKDONJSA-N 1 0 314.223 3.013 20 10 DGCDRO COC[C@@]1(C)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707165970 660892574 /nfs/dbraw/zinc/89/25/74/660892574.db2.gz MZBHCECPBJYARR-AWEZNQCLSA-N 1 0 314.223 3.013 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccccc3)C1)CCC2 ZINC000074171635 660954467 /nfs/dbraw/zinc/95/44/67/660954467.db2.gz QEMSSHPHOABODS-FQEVSTJZSA-N 1 0 309.409 3.454 20 10 DGCDRO C[C@H]1COCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792827281 660986866 /nfs/dbraw/zinc/98/68/66/660986866.db2.gz BLVJAGUHJAEYQL-GFCCVEGCSA-N 1 0 316.367 3.240 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCOCC2CC2)c(C(F)(F)F)c1 ZINC000792974728 660997977 /nfs/dbraw/zinc/99/79/77/660997977.db2.gz OVGPBIQUTXAISV-UHFFFAOYSA-N 1 0 316.367 3.288 20 10 DGCDRO CCC(CC)(CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792985124 660998472 /nfs/dbraw/zinc/99/84/72/660998472.db2.gz VNUKJWBZSMHKMW-UHFFFAOYSA-N 1 0 318.383 3.412 20 10 DGCDRO CC[C@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793042911 661001999 /nfs/dbraw/zinc/00/19/99/661001999.db2.gz OTVLTKRBTDLHAP-CQSZACIVSA-N 1 0 304.356 3.022 20 10 DGCDRO CCOCC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793065361 661002914 /nfs/dbraw/zinc/00/29/14/661002914.db2.gz LDTAYUQLUVSLDC-UHFFFAOYSA-N 1 0 304.356 3.240 20 10 DGCDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075315 661003591 /nfs/dbraw/zinc/00/35/91/661003591.db2.gz ZEBYKFZHAHMSLI-GHMZBOCLSA-N 1 0 304.356 3.020 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)c(O)c1 ZINC000793387641 661029127 /nfs/dbraw/zinc/02/91/27/661029127.db2.gz JHZCQFRYTVUEOR-UHFFFAOYSA-N 1 0 315.398 3.142 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(OC)cc2Cl)c(O)c1 ZINC000793388180 661029292 /nfs/dbraw/zinc/02/92/92/661029292.db2.gz OEBMPZCFJXMGAY-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(F)cc3cccnc32)c(O)c1 ZINC000793387223 661029304 /nfs/dbraw/zinc/02/93/04/661029304.db2.gz AVTKMVUCSQSUBL-UHFFFAOYSA-N 1 0 312.344 3.378 20 10 DGCDRO COc1cc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c(O)cc1C ZINC000793780843 661056912 /nfs/dbraw/zinc/05/69/12/661056912.db2.gz MQJWRBNXNBWLLS-CQSZACIVSA-N 1 0 313.397 3.492 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000794659141 661096614 /nfs/dbraw/zinc/09/66/14/661096614.db2.gz LMHBKJYFTMOUQX-CMPLNLGQSA-N 1 0 303.324 3.482 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000794672846 661097758 /nfs/dbraw/zinc/09/77/58/661097758.db2.gz PTHXROAPIQACQN-LJQANCHMSA-N 1 0 321.461 3.435 20 10 DGCDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000794706331 661100428 /nfs/dbraw/zinc/10/04/28/661100428.db2.gz OVZRDCCQHSSANP-CZUORRHYSA-N 1 0 305.418 3.076 20 10 DGCDRO CC[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(C)cc1O ZINC000794812555 661106761 /nfs/dbraw/zinc/10/67/61/661106761.db2.gz XECGYDGJJHPUAP-KRWDZBQOSA-N 1 0 312.413 3.083 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1F ZINC000120510409 655554896 /nfs/dbraw/zinc/55/48/96/655554896.db2.gz BGKQWZZZDSYHTO-UHFFFAOYSA-N 1 0 319.376 3.489 20 10 DGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2O)C1(C)C ZINC000160285096 655586407 /nfs/dbraw/zinc/58/64/07/655586407.db2.gz MOEJHRSHFUTUID-IAGOWNOFSA-N 1 0 323.433 3.045 20 10 DGCDRO CCC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000177513030 655601127 /nfs/dbraw/zinc/60/11/27/655601127.db2.gz YGIJSVQCPHEGEJ-UHFFFAOYSA-N 1 0 308.422 3.129 20 10 DGCDRO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000077205596 655608370 /nfs/dbraw/zinc/60/83/70/655608370.db2.gz BAAFTKSSRCXOAM-PKOBYXMFSA-N 1 0 302.462 3.318 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3C[C@@H](OC)C3)c2c1 ZINC000795671886 661166581 /nfs/dbraw/zinc/16/65/81/661166581.db2.gz OMVYBPODPZNHNN-OTVXOJSOSA-N 1 0 301.386 3.163 20 10 DGCDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000040675889 655722088 /nfs/dbraw/zinc/72/20/88/655722088.db2.gz PGTTZJQZDZKKKC-UHFFFAOYSA-N 1 0 306.749 3.286 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1O ZINC000178408616 655738514 /nfs/dbraw/zinc/73/85/14/655738514.db2.gz GWDIEBDVKRHNCX-ZDUSSCGKSA-N 1 0 300.402 3.318 20 10 DGCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)cc1 ZINC000179757708 655913202 /nfs/dbraw/zinc/91/32/02/655913202.db2.gz FPPOFBDKJDEEKM-UHFFFAOYSA-N 1 0 318.804 3.037 20 10 DGCDRO CN(C)c1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000179768723 655913217 /nfs/dbraw/zinc/91/32/17/655913217.db2.gz DBOPLEXBPNZFRL-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](OCCC(C)C)C2)c1O ZINC000177384077 655923429 /nfs/dbraw/zinc/92/34/29/655923429.db2.gz IMWZWIKROCWXLX-MRXNPFEDSA-N 1 0 323.408 3.371 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+](CC)C(C)C ZINC000066702956 655994606 /nfs/dbraw/zinc/99/46/06/655994606.db2.gz BFMFTIWOLVZOEN-UHFFFAOYSA-N 1 0 321.465 3.044 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccccc2Cl)c(O)c1OC ZINC000892749660 656035304 /nfs/dbraw/zinc/03/53/04/656035304.db2.gz QEUAPQOONCGZQH-UHFFFAOYSA-N 1 0 321.804 3.395 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000716235281 661220046 /nfs/dbraw/zinc/22/00/46/661220046.db2.gz BGEJHPKMUCADCY-HNNXBMFYSA-N 1 0 316.832 3.410 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)CC2 ZINC000716235151 661220346 /nfs/dbraw/zinc/22/03/46/661220346.db2.gz AQBDXASHHYOYIV-QZTJIDSGSA-N 1 0 308.425 3.244 20 10 DGCDRO CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182406348 656105329 /nfs/dbraw/zinc/10/53/29/656105329.db2.gz VVDWINXUYUOJAT-UONOGXRCSA-N 1 0 322.449 3.136 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1O ZINC000186397644 656131445 /nfs/dbraw/zinc/13/14/45/656131445.db2.gz DIYXDWXXJITXSD-DLBZAZTESA-N 1 0 323.408 3.417 20 10 DGCDRO C[C@H]([NH2+]CCCOC(F)F)c1ccc(Br)cc1O ZINC000194034869 656197166 /nfs/dbraw/zinc/19/71/66/656197166.db2.gz HQJWDTFGDGSDQA-QMMMGPOBSA-N 1 0 324.165 3.435 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000194978358 656206877 /nfs/dbraw/zinc/20/68/77/656206877.db2.gz NNMWSABKNLREGW-BZSNNMDCSA-N 1 0 300.446 3.319 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313342528 656268429 /nfs/dbraw/zinc/26/84/29/656268429.db2.gz GFQQOZXIGOLTGD-MRXNPFEDSA-N 1 0 302.805 3.192 20 10 DGCDRO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCCCO1 ZINC000125349163 656273077 /nfs/dbraw/zinc/27/30/77/656273077.db2.gz LUKGXISHJMNEBN-OAHLLOKOSA-N 1 0 307.434 3.396 20 10 DGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000313461571 656281252 /nfs/dbraw/zinc/28/12/52/656281252.db2.gz OOUDYYFKFZXXTP-CQSZACIVSA-N 1 0 313.825 3.445 20 10 DGCDRO OCC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCCCC1 ZINC000314955395 656541704 /nfs/dbraw/zinc/54/17/04/656541704.db2.gz WOQCJFXJBSOQDW-UHFFFAOYSA-N 1 0 302.462 3.462 20 10 DGCDRO COc1cccc(C[NH2+]CCc2nc3ccccc3s2)c1O ZINC000074335532 661281352 /nfs/dbraw/zinc/28/13/52/661281352.db2.gz JPFOAIGAFXIUCS-UHFFFAOYSA-N 1 0 314.410 3.343 20 10 DGCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092731424 656824029 /nfs/dbraw/zinc/82/40/29/656824029.db2.gz BEQKUQAFSSETGC-HZPDHXFCSA-N 1 0 318.461 3.217 20 10 DGCDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)C1(C)C ZINC000236864242 656935194 /nfs/dbraw/zinc/93/51/94/656935194.db2.gz SXGIUKFTJVRVGH-SJORKVTESA-N 1 0 307.434 3.474 20 10 DGCDRO CC[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001044932765 656983612 /nfs/dbraw/zinc/98/36/12/656983612.db2.gz SRQFCUKPTJQIGV-YOEHRIQHSA-N 1 0 318.461 3.130 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000323673762 657004351 /nfs/dbraw/zinc/00/43/51/657004351.db2.gz XHUVWLFQJKJCMI-WBMJQRKESA-N 1 0 323.408 3.249 20 10 DGCDRO C[N@H+](CCCNCc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000237089708 657090581 /nfs/dbraw/zinc/09/05/81/657090581.db2.gz RTTKNBTUBXVMDI-UHFFFAOYSA-N 1 0 302.462 3.366 20 10 DGCDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000305102983 657680753 /nfs/dbraw/zinc/68/07/53/657680753.db2.gz AMUQJBJBBAJHIR-DOTOQJQBSA-N 1 0 322.518 3.442 20 10 DGCDRO COc1ccc2ccc(O)c(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000016075998 657753442 /nfs/dbraw/zinc/75/34/42/657753442.db2.gz UDKJLTDJDPJWGG-CHWSQXEVSA-N 1 0 301.386 3.163 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC(C)(C)C3)c2c1 ZINC000029546675 657771669 /nfs/dbraw/zinc/77/16/69/657771669.db2.gz IHUCFRYZOXPIKY-UHFFFAOYSA-N 1 0 301.386 3.165 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(F)c(F)c2)c1 ZINC000305775243 658041717 /nfs/dbraw/zinc/04/17/17/658041717.db2.gz NHEWZKNAFXFIJT-BTDLBPIBSA-N 1 0 323.339 3.063 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c1 ZINC000305785734 658045208 /nfs/dbraw/zinc/04/52/08/658045208.db2.gz XTURPCWJLGMZNP-HWPZZCPQSA-N 1 0 323.339 3.063 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C=C(C)C)C2)cc1C ZINC000987918988 658285456 /nfs/dbraw/zinc/28/54/56/658285456.db2.gz PFZNQPLFSIKPDW-RDJZCZTQSA-N 1 0 316.445 3.049 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)cc1C ZINC000966411999 658472274 /nfs/dbraw/zinc/47/22/74/658472274.db2.gz CLDHFNDWJNRTFH-GOSISDBHSA-N 1 0 324.424 3.008 20 10 DGCDRO CC[C@@](C)(C[NH2+]Cc1cc(Br)ccc1O)OC ZINC000322751189 658569592 /nfs/dbraw/zinc/56/95/92/658569592.db2.gz CFKOMGMRXQJRDU-ZDUSSCGKSA-N 1 0 302.212 3.059 20 10 DGCDRO CC[N@H+](CCC(=O)OC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164360875 658929518 /nfs/dbraw/zinc/92/95/18/658929518.db2.gz ZHRCMNOVXJNADL-UHFFFAOYSA-N 1 0 323.433 3.083 20 10 DGCDRO COc1cc(CN2CCC[C@H]([NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164370334 658929637 /nfs/dbraw/zinc/92/96/37/658929637.db2.gz RNPFRAIEPMFQSD-HNNXBMFYSA-N 1 0 320.477 3.224 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC(OC(C)(C)C)CC2)c1O ZINC000164492033 658936242 /nfs/dbraw/zinc/93/62/42/658936242.db2.gz HODAIMSTQBKTGW-UHFFFAOYSA-N 1 0 307.434 3.489 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C1CC1 ZINC000157524629 659066812 /nfs/dbraw/zinc/06/68/12/659066812.db2.gz GXAOYNXQXJPDDM-LJQANCHMSA-N 1 0 302.462 3.438 20 10 DGCDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000158009527 659132535 /nfs/dbraw/zinc/13/25/35/659132535.db2.gz DHHDRCNAFXYNKV-GASCZTMLSA-N 1 0 306.425 3.140 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000158225544 659151408 /nfs/dbraw/zinc/15/14/08/659151408.db2.gz SFLQXPNDUJSRAR-UYAOXDASSA-N 1 0 312.457 3.397 20 10 DGCDRO Oc1ccc(CC[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000227440833 659154548 /nfs/dbraw/zinc/15/45/48/659154548.db2.gz XCXUMTOWICQVQV-UHFFFAOYSA-N 1 0 322.202 3.193 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccn1 ZINC000227434235 659154956 /nfs/dbraw/zinc/15/49/56/659154956.db2.gz QKXPRENHFVVHNL-SNVBAGLBSA-N 1 0 307.191 3.401 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCSC[C@@H]3C)c2c1 ZINC000172515507 659341885 /nfs/dbraw/zinc/34/18/85/659341885.db2.gz AUHMIQRJYZFNOY-LBPRGKRZSA-N 1 0 303.427 3.491 20 10 DGCDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000063256019 659374322 /nfs/dbraw/zinc/37/43/22/659374322.db2.gz IBGIAOMUSGMDFG-JTQLQIEISA-N 1 0 319.332 3.119 20 10 DGCDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000173479540 659388027 /nfs/dbraw/zinc/38/80/27/659388027.db2.gz LRBGLUOBMIZUPY-INIZCTEOSA-N 1 0 311.429 3.111 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C(C)C)C2)cc1C ZINC000994771846 659925110 /nfs/dbraw/zinc/92/51/10/659925110.db2.gz RFYUKKGYBOEAOL-IRXDYDNUSA-N 1 0 318.461 3.034 20 10 DGCDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179565553 659933797 /nfs/dbraw/zinc/93/37/97/659933797.db2.gz FDHDCEMRGTZWAO-QGZVFWFLSA-N 1 0 318.461 3.301 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000179961506 659947852 /nfs/dbraw/zinc/94/78/52/659947852.db2.gz WICJOLUONDLBOJ-LLVKDONJSA-N 1 0 311.809 3.209 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)ccc21 ZINC000181628427 660013498 /nfs/dbraw/zinc/01/34/98/660013498.db2.gz VVSMCLAXZLIYNQ-QRQLOZEOSA-N 1 0 314.473 3.362 20 10 DGCDRO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182458550 660054193 /nfs/dbraw/zinc/05/41/93/660054193.db2.gz DBJAZLSZNCCWNY-LBPRGKRZSA-N 1 0 315.369 3.038 20 10 DGCDRO CCOCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183166260 660103542 /nfs/dbraw/zinc/10/35/42/660103542.db2.gz MWPRZIYWSXYFTI-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO COc1ccccc1N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000183452359 660114914 /nfs/dbraw/zinc/11/49/14/660114914.db2.gz SNMVTZMGMXZRTI-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183465694 660116652 /nfs/dbraw/zinc/11/66/52/660116652.db2.gz WCWREQJZJTWSJU-AWEZNQCLSA-N 1 0 304.434 3.080 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000184720474 660183150 /nfs/dbraw/zinc/18/31/50/660183150.db2.gz ZWVYKWBRZAQUMU-UHFFFAOYSA-N 1 0 316.445 3.016 20 10 DGCDRO CC(=O)NCCCCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929297198 661294978 /nfs/dbraw/zinc/29/49/78/661294978.db2.gz VJFILXLDVIEIQX-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO c1ccc(CC2([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000187492271 661706408 /nfs/dbraw/zinc/70/64/08/661706408.db2.gz WTJWBWFTZXJGON-UHFFFAOYSA-N 1 0 322.452 3.388 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccc(N2CCOCC2)cc1 ZINC000155303764 661845000 /nfs/dbraw/zinc/84/50/00/661845000.db2.gz KMENGOQLUMQJMJ-KGLIPLIRSA-N 1 0 317.458 3.392 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000158534556 661873972 /nfs/dbraw/zinc/87/39/72/661873972.db2.gz SAXDKFLZSDKQCP-UHFFFAOYSA-N 1 0 318.804 3.073 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOCC(F)(F)F)cc1 ZINC000159344889 661886145 /nfs/dbraw/zinc/88/61/45/661886145.db2.gz SGSQKXQTJBNFNG-GFCCVEGCSA-N 1 0 304.356 3.372 20 10 DGCDRO CCCCCNC(=O)[C@H](C)[N@H+](CCC)Cc1ccccc1O ZINC000076073956 661966625 /nfs/dbraw/zinc/96/66/25/661966625.db2.gz YJKFXCGWICIEIR-HNNXBMFYSA-N 1 0 306.450 3.299 20 10 DGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(C)ccc2O)CC1 ZINC000189365359 661976095 /nfs/dbraw/zinc/97/60/95/661976095.db2.gz KNJOJDDXUCVOOU-AWEZNQCLSA-N 1 0 320.433 3.047 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189619764 661984644 /nfs/dbraw/zinc/98/46/44/661984644.db2.gz KSPYNZDSWMAHOJ-HIFRSBDPSA-N 1 0 317.351 3.274 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000192910996 662115524 /nfs/dbraw/zinc/11/55/24/662115524.db2.gz IRQYZXVYAGLTFZ-GFCCVEGCSA-N 1 0 315.369 3.023 20 10 DGCDRO COCCO[C@H]1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000193415453 662133635 /nfs/dbraw/zinc/13/36/35/662133635.db2.gz GEYGUCONURCPMN-KRWDZBQOSA-N 1 0 321.461 3.451 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000090178562 662254931 /nfs/dbraw/zinc/25/49/31/662254931.db2.gz SPZFODGSSWFYRY-GOEBONIOSA-N 1 0 317.477 3.193 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000090795443 662277949 /nfs/dbraw/zinc/27/79/49/662277949.db2.gz WGTBAGIQGSFAES-MGPUTAFESA-N 1 0 310.441 3.237 20 10 DGCDRO CCOc1cccc(C[N@H+](CCOC)Cc2ccco2)c1O ZINC000092562017 662332352 /nfs/dbraw/zinc/33/23/52/662332352.db2.gz LHKXRJZASHNOIY-UHFFFAOYSA-N 1 0 305.374 3.033 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1OC ZINC000248416839 662344796 /nfs/dbraw/zinc/34/47/96/662344796.db2.gz JBJFYXSHUBABNA-QEJZJMRPSA-N 1 0 305.418 3.420 20 10 DGCDRO Fc1cc(C[NH+](CC2CC2)CC2CC2)ccc1N1CCOCC1 ZINC000093480105 662355891 /nfs/dbraw/zinc/35/58/91/662355891.db2.gz JQMDUMGKQHXFEE-UHFFFAOYSA-N 1 0 318.436 3.284 20 10 DGCDRO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1C ZINC000093480874 662356109 /nfs/dbraw/zinc/35/61/09/662356109.db2.gz SMPJEMMACPHEDV-GJZGRUSLSA-N 1 0 306.425 3.140 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000093863602 662360899 /nfs/dbraw/zinc/36/08/99/662360899.db2.gz MJINPLDGDZSEAN-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO C[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1Cc1ccccc1 ZINC000383365354 685166672 /nfs/dbraw/zinc/16/66/72/685166672.db2.gz UYBVHZWAENAUIV-OXJNMPFZSA-N 1 0 322.452 3.374 20 10 DGCDRO CO[C@H]([C@@H](C)[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000388233765 685187944 /nfs/dbraw/zinc/18/79/44/685187944.db2.gz NMQCMXJIQZAHKB-YMTOWFKASA-N 1 0 314.223 3.058 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000391160325 685210225 /nfs/dbraw/zinc/21/02/25/685210225.db2.gz SYXMSPNFFCZCSQ-UHFFFAOYSA-N 1 0 308.429 3.426 20 10 DGCDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC001576556146 1191845165 /nfs/dbraw/zinc/84/51/65/1191845165.db2.gz NZHUESLFRHZUJD-ZYSHUDEJSA-N 1 0 301.478 3.334 20 10 DGCDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001617635064 1191871651 /nfs/dbraw/zinc/87/16/51/1191871651.db2.gz BBPZBYBKXOMYKD-IBGZPJMESA-N 1 0 318.461 3.450 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC001577457810 1191903279 /nfs/dbraw/zinc/90/32/79/1191903279.db2.gz GHVYAGPSJUSRMX-MRXNPFEDSA-N 1 0 318.461 3.301 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCCCC2(C)C)cc1 ZINC001578424493 1191943042 /nfs/dbraw/zinc/94/30/42/1191943042.db2.gz JBPCAGVEXIRNSV-SJORKVTESA-N 1 0 317.477 3.085 20 10 DGCDRO C[NH2+]C[C@H](C)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001578638926 1191950318 /nfs/dbraw/zinc/95/03/18/1191950318.db2.gz XXEDGDOHXWZCJJ-AWEZNQCLSA-N 1 0 313.445 3.049 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001579673632 1191985567 /nfs/dbraw/zinc/98/55/67/1191985567.db2.gz AFVZIBASLKJTNG-SMDDNHRTSA-N 1 0 317.458 3.026 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001579674071 1191985670 /nfs/dbraw/zinc/98/56/70/1191985670.db2.gz MMVGEBAKVSBBKG-SMDDNHRTSA-N 1 0 317.458 3.026 20 10 DGCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCCSc3cc(Cl)ccc32)C1 ZINC001580170908 1192011937 /nfs/dbraw/zinc/01/19/37/1192011937.db2.gz BBOUBPWVRLNDBA-GFCCVEGCSA-N 1 0 308.834 3.216 20 10 DGCDRO [NH3+]Cc1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001580342969 1192022818 /nfs/dbraw/zinc/02/28/18/1192022818.db2.gz RFFHOHSZOYLJIP-UHFFFAOYSA-N 1 0 314.366 3.024 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)C(=O)N[C@@H](C)CC)cc1C ZINC001661224250 1196585448 /nfs/dbraw/zinc/58/54/48/1196585448.db2.gz KYAMQLXZVVXXLZ-LSDHHAIUSA-N 1 0 306.450 3.177 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CCO)c2ccccc2)cc1F ZINC001620805285 1192085838 /nfs/dbraw/zinc/08/58/38/1192085838.db2.gz OMRAYSLUHRYJIJ-QGZVFWFLSA-N 1 0 316.420 3.148 20 10 DGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCC[C@@H]1O ZINC001620829780 1192276969 /nfs/dbraw/zinc/27/69/69/1192276969.db2.gz PMYILGGFMVAVLF-RBUKOAKNSA-N 1 0 302.462 3.318 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC001591947350 1192581829 /nfs/dbraw/zinc/58/18/29/1192581829.db2.gz BLHMEZNDGSXAQG-ZDUSSCGKSA-N 1 0 323.400 3.040 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2C)cc1Cn1cccn1 ZINC001620912739 1192591875 /nfs/dbraw/zinc/59/18/75/1192591875.db2.gz FGYPYVTVPREAKP-RDJZCZTQSA-N 1 0 313.445 3.466 20 10 DGCDRO COCC1(C[NH2+]Cc2c(C)c3ccccc3n2C)CCOCC1 ZINC001620957595 1192653105 /nfs/dbraw/zinc/65/31/05/1192653105.db2.gz LJGSCXXCEMIJRG-UHFFFAOYSA-N 1 0 316.445 3.020 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(C)=O)cc1C ZINC001691983273 1176122285 /nfs/dbraw/zinc/12/22/85/1176122285.db2.gz XADUODWETDRLTP-KBXCAEBGSA-N 1 0 318.461 3.130 20 10 DGCDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cnn1C ZINC001254720967 1178080864 /nfs/dbraw/zinc/08/08/64/1178080864.db2.gz DVZUUCSGHONERI-BFVZDQMLSA-N 1 0 303.381 3.472 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3nccs3)C1)CCC2 ZINC001331494026 1178226999 /nfs/dbraw/zinc/22/69/99/1178226999.db2.gz YZBGUOGQFKYVLW-AWEZNQCLSA-N 1 0 300.427 3.327 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)N(C)C3)cc1C(C)C ZINC001331527027 1178234666 /nfs/dbraw/zinc/23/46/66/1178234666.db2.gz XLVSOUVMUYWBMB-JKSUJKDBSA-N 1 0 316.445 3.019 20 10 DGCDRO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(C)ccc3O)C2)cc1 ZINC001331567873 1178250144 /nfs/dbraw/zinc/25/01/44/1178250144.db2.gz ZGBWBYSHZFZMSN-KRWDZBQOSA-N 1 0 310.397 3.292 20 10 DGCDRO OCC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC001333790212 1178673620 /nfs/dbraw/zinc/67/36/20/1178673620.db2.gz LYRCXDFWZIBNNF-IBGZPJMESA-N 1 0 302.462 3.318 20 10 DGCDRO CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC001333867431 1178687191 /nfs/dbraw/zinc/68/71/91/1178687191.db2.gz PORZYPMDZDFTSH-UHFFFAOYSA-N 1 0 310.388 3.167 20 10 DGCDRO COc1ccc(C[NH2+]CCCC(F)F)cc1Cn1cccn1 ZINC001334233054 1178738393 /nfs/dbraw/zinc/73/83/93/1178738393.db2.gz OXSNWMCIGSTZEY-UHFFFAOYSA-N 1 0 309.360 3.075 20 10 DGCDRO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001342076104 1179099692 /nfs/dbraw/zinc/09/96/92/1179099692.db2.gz AMLLHZLTTDVGSP-SFHVURJKSA-N 1 0 316.445 3.204 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)c(OC)c2)c1 ZINC001346197769 1179669037 /nfs/dbraw/zinc/66/90/37/1179669037.db2.gz XWKPQARKKRNTHC-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001346845636 1179754863 /nfs/dbraw/zinc/75/48/63/1179754863.db2.gz BJKOJDDYILSWLK-ZJBJCVSYSA-N 1 0 320.502 3.066 20 10 DGCDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001346845634 1179755305 /nfs/dbraw/zinc/75/53/05/1179755305.db2.gz BJKOJDDYILSWLK-CECAUBDESA-N 1 0 320.502 3.066 20 10 DGCDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC001351329754 1180200237 /nfs/dbraw/zinc/20/02/37/1180200237.db2.gz HYIVTWYRPYSCET-IINYFYTJSA-N 1 0 314.223 3.059 20 10 DGCDRO COc1ccc(N(C)CCN(C)Cc2ncccc2Cl)cc1 ZINC001351408050 1180210096 /nfs/dbraw/zinc/21/00/96/1180210096.db2.gz NVKOILCLVZDZKU-UHFFFAOYSA-N 1 0 319.836 3.312 20 10 DGCDRO Nc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)cc1 ZINC001352789124 1180399464 /nfs/dbraw/zinc/39/94/64/1180399464.db2.gz IJOKYLWOZBKQOG-UHFFFAOYSA-N 1 0 310.319 3.500 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2Cc3ccccc32)cc1F ZINC001200204834 1180448849 /nfs/dbraw/zinc/44/88/49/1180448849.db2.gz YLLPIYOXHHYFLL-ZDUSSCGKSA-N 1 0 302.368 3.460 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2COc3ccccc3C2)c(Cl)c1 ZINC001200334665 1180555891 /nfs/dbraw/zinc/55/58/91/1180555891.db2.gz VQGQGZYMDXZWEK-ZDUSSCGKSA-N 1 0 303.789 3.447 20 10 DGCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001200365866 1180577969 /nfs/dbraw/zinc/57/79/69/1180577969.db2.gz OTUILHHOFHYWDV-HXUWFJFHSA-N 1 0 310.441 3.418 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCN(C)C[C@@H]2CC(C)C)cc1 ZINC001473825009 1181582025 /nfs/dbraw/zinc/58/20/25/1181582025.db2.gz YQJQGCKFNPLQBD-IBGZPJMESA-N 1 0 303.494 3.305 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c(O)c1 ZINC001474595862 1181593516 /nfs/dbraw/zinc/59/35/16/1181593516.db2.gz PVYRZNNXNRURBT-AWEZNQCLSA-N 1 0 305.418 3.100 20 10 DGCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001461101586 1182768128 /nfs/dbraw/zinc/76/81/28/1182768128.db2.gz RUKSLCUWIQINKQ-HUUCEWRRSA-N 1 0 307.457 3.102 20 10 DGCDRO c1ccc2c(c1)CCN2CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461115211 1182769749 /nfs/dbraw/zinc/76/97/49/1182769749.db2.gz IQQDPXCOWHRSRV-UHFFFAOYSA-N 1 0 308.425 3.164 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1F ZINC001461233015 1182783299 /nfs/dbraw/zinc/78/32/99/1182783299.db2.gz SYEVTDHLHYONDL-HOCLYGCPSA-N 1 0 308.441 3.313 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccccc1O ZINC001461732765 1182847609 /nfs/dbraw/zinc/84/76/09/1182847609.db2.gz XMIYVNDOXHMNHF-NSHDSACASA-N 1 0 314.410 3.156 20 10 DGCDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001461960874 1182884612 /nfs/dbraw/zinc/88/46/12/1182884612.db2.gz SQTDQPZUBLXWEH-CYBMUJFWSA-N 1 0 324.852 3.030 20 10 DGCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc(Cl)cc1O)C2 ZINC001462306020 1182936035 /nfs/dbraw/zinc/93/60/35/1182936035.db2.gz IUAOIHBECSKPPB-OAHLLOKOSA-N 1 0 303.789 3.447 20 10 DGCDRO COC[C@H](CC(C)C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001462651021 1182981015 /nfs/dbraw/zinc/98/10/15/1182981015.db2.gz NNKGHGSZESNXRB-HKUYNNGSSA-N 1 0 321.509 3.006 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC001474080807 1183863515 /nfs/dbraw/zinc/86/35/15/1183863515.db2.gz GVBVJGDRTYKRBX-NRFANRHFSA-N 1 0 320.436 3.410 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)CC(C)C ZINC001474185694 1183878671 /nfs/dbraw/zinc/87/86/71/1183878671.db2.gz XPGPZWAIZMCUGO-CYBMUJFWSA-N 1 0 300.393 3.182 20 10 DGCDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC001474213576 1183884787 /nfs/dbraw/zinc/88/47/87/1183884787.db2.gz SZPQBSOYVWJJKR-UHFFFAOYSA-N 1 0 318.804 3.318 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001474435233 1183922454 /nfs/dbraw/zinc/92/24/54/1183922454.db2.gz BPTWHYDWBVUBFO-STQMWFEESA-N 1 0 324.415 3.413 20 10 DGCDRO C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)CC1 ZINC001474503760 1183931608 /nfs/dbraw/zinc/93/16/08/1183931608.db2.gz PYZIPNXJMCMCHE-AWEZNQCLSA-N 1 0 308.853 3.209 20 10 DGCDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001474573102 1183943348 /nfs/dbraw/zinc/94/33/48/1183943348.db2.gz UDTNCQVKRJQVQJ-DYVFJYSZSA-N 1 0 324.415 3.470 20 10 DGCDRO COc1cc(C[C@H](C)[NH2+]Cc2cc(Cl)ccc2O)ccn1 ZINC001474609188 1183948756 /nfs/dbraw/zinc/94/87/56/1183948756.db2.gz OSLOCBBEFNQEFB-NSHDSACASA-N 1 0 306.793 3.170 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(O)c1 ZINC001474631085 1183952069 /nfs/dbraw/zinc/95/20/69/1183952069.db2.gz WTJPEHKDOUNBID-HNAYVOBHSA-N 1 0 319.445 3.490 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC001474646844 1183954434 /nfs/dbraw/zinc/95/44/34/1183954434.db2.gz JCRZIDXBBXEXMO-IEBWSBKVSA-N 1 0 318.461 3.273 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC001474646894 1183954696 /nfs/dbraw/zinc/95/46/96/1183954696.db2.gz YHONXMJCCDTKFI-SFHVURJKSA-N 1 0 320.477 3.058 20 10 DGCDRO C[C@@H]([NH2+]Cc1ncc(Br)cc1O)c1ccccc1O ZINC001474670008 1183958040 /nfs/dbraw/zinc/95/80/40/1183958040.db2.gz UVQLYXNCPJLMSE-SECBINFHSA-N 1 0 323.190 3.106 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](C(=O)OC)C2CCCCC2)c1O ZINC001474701498 1183964143 /nfs/dbraw/zinc/96/41/43/1183964143.db2.gz FUSDDBFTBLIIRW-QGZVFWFLSA-N 1 0 319.445 3.414 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CCNC(=O)C(C)C)C(C)C)cc1C ZINC001506980903 1186333084 /nfs/dbraw/zinc/33/30/84/1186333084.db2.gz FEKSHMHGUZDQFS-QGZVFWFLSA-N 1 0 320.477 3.280 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC001560247420 1189298842 /nfs/dbraw/zinc/29/88/42/1189298842.db2.gz BVQMVJDSXZFFBA-ONEGZZNKSA-N 1 0 310.397 3.284 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2CCc3ccccc32)cc1 ZINC001560295453 1189307235 /nfs/dbraw/zinc/30/72/35/1189307235.db2.gz CCGFTACPWIHTOJ-WAYWQWQTSA-N 1 0 321.468 3.418 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](O)C2CCCCC2)cc1F ZINC001560307860 1189309353 /nfs/dbraw/zinc/30/93/53/1189309353.db2.gz OKKYMFVYXZEERN-QGZVFWFLSA-N 1 0 312.404 3.062 20 10 DGCDRO COc1ccc(C[NH2+]CC2(N(C)C)Cc3ccccc3C2)cc1C ZINC001560350904 1189315688 /nfs/dbraw/zinc/31/56/88/1189315688.db2.gz LATKFQMPYJGPRZ-UHFFFAOYSA-N 1 0 324.468 3.192 20 10 DGCDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CC1CCCC1 ZINC001560454539 1189330731 /nfs/dbraw/zinc/33/07/31/1189330731.db2.gz BWLMPGHHSJEYQU-KRWDZBQOSA-N 1 0 303.446 3.290 20 10 DGCDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001560564567 1189341986 /nfs/dbraw/zinc/34/19/86/1189341986.db2.gz DLTNOBJJZJQAFV-AAEUAGOBSA-N 1 0 318.383 3.411 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC001560601216 1189346287 /nfs/dbraw/zinc/34/62/87/1189346287.db2.gz QBWUARVQDUSCAD-BQMJKSTESA-N 1 0 322.452 3.404 20 10 DGCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560630473 1189352361 /nfs/dbraw/zinc/35/23/61/1189352361.db2.gz XYZPRQBSHUNFQB-MRXNPFEDSA-N 1 0 318.461 3.254 20 10 DGCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560648133 1189355892 /nfs/dbraw/zinc/35/58/92/1189355892.db2.gz KFLIXQANSUSJCT-GFCCVEGCSA-N 1 0 305.809 3.159 20 10 DGCDRO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cc(F)ccc2O)cc1 ZINC001560671952 1189358440 /nfs/dbraw/zinc/35/84/40/1189358440.db2.gz SSVQONBXRZCFQK-INIZCTEOSA-N 1 0 301.361 3.357 20 10 DGCDRO CCCC(=O)NC1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001560694340 1189361919 /nfs/dbraw/zinc/36/19/19/1189361919.db2.gz SEVWYFRDLUJTFR-UHFFFAOYSA-N 1 0 318.461 3.396 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC001560816113 1189386599 /nfs/dbraw/zinc/38/65/99/1189386599.db2.gz FEFQBIJVCCLNRH-UHFFFAOYSA-N 1 0 319.788 3.430 20 10 DGCDRO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC001560890700 1189400743 /nfs/dbraw/zinc/40/07/43/1189400743.db2.gz ONENTSLGQRSSKN-GXTWGEPZSA-N 1 0 323.408 3.331 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC001560919961 1189405929 /nfs/dbraw/zinc/40/59/29/1189405929.db2.gz RJLVVXOVZMTLKN-UHFFFAOYSA-N 1 0 314.433 3.019 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2c(C3CCC3)cnn2C)c(O)c1 ZINC001560936150 1189407229 /nfs/dbraw/zinc/40/72/29/1189407229.db2.gz RQHGDOMWQBFSOR-UHFFFAOYSA-N 1 0 315.417 3.000 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccnc2Br)c1 ZINC001560938115 1189407620 /nfs/dbraw/zinc/40/76/20/1189407620.db2.gz WDLHBPBJHKVIFN-UHFFFAOYSA-N 1 0 307.191 3.148 20 10 DGCDRO COc1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)CC2)c(O)c1OC ZINC001561051807 1189427970 /nfs/dbraw/zinc/42/79/70/1189427970.db2.gz JQPUKUNHHRDKOT-OAHLLOKOSA-N 1 0 323.433 3.046 20 10 DGCDRO COc1cc(C[NH2+]CCN2CCCCC2)c(O)c(C(C)(C)C)c1 ZINC001620711043 1193793887 /nfs/dbraw/zinc/79/38/87/1193793887.db2.gz TVTQGJACGDSXDV-UHFFFAOYSA-N 1 0 320.477 3.274 20 10 DGCDRO C[C@H](COc1cccc(F)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001620741379 1193796662 /nfs/dbraw/zinc/79/66/62/1193796662.db2.gz DPSNWTDONKBAFB-CYBMUJFWSA-N 1 0 301.361 3.318 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@H+](C)CCN2CCOC(C)(C)C2)c1 ZINC001621298305 1193827550 /nfs/dbraw/zinc/82/75/50/1193827550.db2.gz XIOSWAAOQCKWFF-UHFFFAOYSA-N 1 0 320.477 3.058 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(Cl)cc2O)c1 ZINC001621317394 1193830471 /nfs/dbraw/zinc/83/04/71/1193830471.db2.gz XTYSYTSJWXYKLP-UHFFFAOYSA-N 1 0 305.761 3.122 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccoc2)c1 ZINC001621500116 1193851349 /nfs/dbraw/zinc/85/13/49/1193851349.db2.gz VSMOVVRTMUQALN-OAHLLOKOSA-N 1 0 303.402 3.049 20 10 DGCDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001633315525 1194431159 /nfs/dbraw/zinc/43/11/59/1194431159.db2.gz RYILQBXTYFQXGA-CRAIPNDOSA-N 1 0 317.477 3.050 20 10 DGCDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)C2=CC(=O)CS2)CC1 ZINC001635707096 1194567129 /nfs/dbraw/zinc/56/71/29/1194567129.db2.gz SQGWPTORLLMGDN-AWEZNQCLSA-N 1 0 322.474 3.180 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1O ZINC001645713735 1195198671 /nfs/dbraw/zinc/19/86/71/1195198671.db2.gz ORVHAUJCPOEJTK-HZPDHXFCSA-N 1 0 323.408 3.416 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1 ZINC001646717627 1195236954 /nfs/dbraw/zinc/23/69/54/1195236954.db2.gz BVAPLALEKQDNOT-AYOQOUSVSA-N 1 0 318.461 3.021 20 10 DGCDRO CCC1([NH+](C)C)CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001647946736 1195267733 /nfs/dbraw/zinc/26/77/33/1195267733.db2.gz GVFVRELTYCHLMG-UHFFFAOYSA-N 1 0 303.494 3.367 20 10 DGCDRO CC(C)[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001648591427 1195311469 /nfs/dbraw/zinc/31/14/69/1195311469.db2.gz LDGVNOFIRZHVHX-WOJBJXKFSA-N 1 0 315.505 3.447 20 10 DGCDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001648702849 1195324732 /nfs/dbraw/zinc/32/47/32/1195324732.db2.gz JDYTXQPNMXXFCM-CRAIPNDOSA-N 1 0 319.468 3.246 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)Cn2ccnc2)cc1F ZINC001648779957 1195331467 /nfs/dbraw/zinc/33/14/67/1195331467.db2.gz PDZLXPAMVJXHBV-CQSZACIVSA-N 1 0 304.413 3.047 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnn2-c2ccccc2)c1 ZINC001651273811 1195435704 /nfs/dbraw/zinc/43/57/04/1195435704.db2.gz VDOKLEXXMXBRAA-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001651322017 1195442625 /nfs/dbraw/zinc/44/26/25/1195442625.db2.gz LKLRXDCRLXJQFS-HNNXBMFYSA-N 1 0 307.457 3.102 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cn1)c1ccccc1O ZINC001651502262 1195471594 /nfs/dbraw/zinc/47/15/94/1195471594.db2.gz YCXFHNNIMHQECX-SNVBAGLBSA-N 1 0 307.191 3.401 20 10 DGCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001651723105 1195502748 /nfs/dbraw/zinc/50/27/48/1195502748.db2.gz RJNDDBCFPKWHQL-HNNXBMFYSA-N 1 0 307.434 3.001 20 10 DGCDRO COc1cc(C)c(C[N@H+]2CC=C(C(F)(F)F)CC2)c(O)c1 ZINC001651756569 1195506083 /nfs/dbraw/zinc/50/60/83/1195506083.db2.gz BMGGFCYWZOBDAY-UHFFFAOYSA-N 1 0 301.308 3.404 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC001651799532 1195510730 /nfs/dbraw/zinc/51/07/30/1195510730.db2.gz ACULMRQAQHTPAF-RDJZCZTQSA-N 1 0 307.459 3.222 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2C[C@H]2c2cnn(C)c2)C2CC2)cc1 ZINC001652100899 1195547702 /nfs/dbraw/zinc/54/77/02/1195547702.db2.gz YMXHXJRYJLTBJF-OXJNMPFZSA-N 1 0 324.472 3.254 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H](C)Cc2cccc(O)c2)c(O)c1 ZINC001652465938 1195601155 /nfs/dbraw/zinc/60/11/55/1195601155.db2.gz OXOJWTIFYRJANB-CYBMUJFWSA-N 1 0 301.386 3.136 20 10 DGCDRO C[NH+](C)Cc1ccc(NCc2cc(F)c(F)cc2O)c(F)c1 ZINC001652657658 1195633206 /nfs/dbraw/zinc/63/32/06/1195633206.db2.gz UCCMOPKDQFUBNR-UHFFFAOYSA-N 1 0 310.319 3.483 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ncccc1F ZINC001652685327 1195636298 /nfs/dbraw/zinc/63/62/98/1195636298.db2.gz ZRUOMRNUIRBORX-AWEZNQCLSA-N 1 0 301.409 3.316 20 10 DGCDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C(C)C ZINC001652740531 1195645353 /nfs/dbraw/zinc/64/53/53/1195645353.db2.gz WPMYSWYUZPTGBG-CQSZACIVSA-N 1 0 315.360 3.126 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c(O)c1 ZINC001653099967 1195687534 /nfs/dbraw/zinc/68/75/34/1195687534.db2.gz DWXJXSXJQMMYPD-LQDVMPOASA-N 1 0 307.459 3.473 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC1(C)C ZINC001654775376 1195839029 /nfs/dbraw/zinc/83/90/29/1195839029.db2.gz PEFWQIZOTAVPAM-ROUUACIJSA-N 1 0 302.462 3.438 20 10 DGCDRO CN(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1cccs1 ZINC001655179897 1195887280 /nfs/dbraw/zinc/88/72/80/1195887280.db2.gz FNSFDCPNKDTRAR-MRXNPFEDSA-N 1 0 316.470 3.466 20 10 DGCDRO CC(C)[C@H](CNC/C=C/c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC001655251091 1195896143 /nfs/dbraw/zinc/89/61/43/1195896143.db2.gz MCJKWYSVLUCBMO-DUIUGDAFSA-N 1 0 315.505 3.476 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC001655725399 1195956724 /nfs/dbraw/zinc/95/67/24/1195956724.db2.gz WIBMWISUXJJPFS-IBGZPJMESA-N 1 0 312.457 3.399 20 10 DGCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001656142364 1196009347 /nfs/dbraw/zinc/00/93/47/1196009347.db2.gz GMLWKSITEDJGNT-IBGZPJMESA-N 1 0 311.425 3.452 20 10 DGCDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001656268512 1196025350 /nfs/dbraw/zinc/02/53/50/1196025350.db2.gz KKHVDLNJZUCHGY-QZTJIDSGSA-N 1 0 302.462 3.439 20 10 DGCDRO c1ccc(C[C@@H]2C[C@@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001656529908 1196047554 /nfs/dbraw/zinc/04/75/54/1196047554.db2.gz PTDWOJQFINZBCY-CTNGQTDRSA-N 1 0 322.452 3.244 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccccc2)cc1Cn1cccn1 ZINC001656634080 1196056398 /nfs/dbraw/zinc/05/63/98/1196056398.db2.gz MIBNIOBEPQPHCY-UHFFFAOYSA-N 1 0 307.397 3.230 20 10 DGCDRO CN(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001656903924 1196081671 /nfs/dbraw/zinc/08/16/71/1196081671.db2.gz AWWJKSHMHAOLRU-HXUWFJFHSA-N 1 0 324.468 3.274 20 10 DGCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001656947457 1196085500 /nfs/dbraw/zinc/08/55/00/1196085500.db2.gz ZACRXWKCLPWONT-QZTJIDSGSA-N 1 0 315.505 3.497 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1 ZINC001657312870 1196129578 /nfs/dbraw/zinc/12/95/78/1196129578.db2.gz QBWXBPGNYQPTSY-ZLQZBKBYSA-N 1 0 315.505 3.476 20 10 DGCDRO CCC[N@H+](CC)C[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC001657472806 1196146174 /nfs/dbraw/zinc/14/61/74/1196146174.db2.gz DXYCZOYXCBCSEH-IJDCCNJMSA-N 1 0 303.494 3.476 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657557603 1196154562 /nfs/dbraw/zinc/15/45/62/1196154562.db2.gz ILJRKCJIHBUBFY-VQIMIIECSA-N 1 0 317.429 3.223 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1F ZINC001657676722 1196168358 /nfs/dbraw/zinc/16/83/58/1196168358.db2.gz OOKJTLIARUZHPC-IAGOWNOFSA-N 1 0 306.425 3.065 20 10 DGCDRO COC(=O)c1c(C[NH2+]CC=C(C)C)c2cc(F)ccc2n1C ZINC001657774136 1196177361 /nfs/dbraw/zinc/17/73/61/1196177361.db2.gz WHYCUKADQSTNQJ-UHFFFAOYSA-N 1 0 304.365 3.160 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1F ZINC001657926701 1196193840 /nfs/dbraw/zinc/19/38/40/1196193840.db2.gz YQIAVVQMKYGWPX-ZUCKAHLUSA-N 1 0 310.388 3.078 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Cc1ccccc1 ZINC001657995165 1196199658 /nfs/dbraw/zinc/19/96/58/1196199658.db2.gz AGNVQSFCTXQMBK-QGZVFWFLSA-N 1 0 316.420 3.239 20 10 DGCDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1O ZINC001658280804 1196235242 /nfs/dbraw/zinc/23/52/42/1196235242.db2.gz PLNCMNJDCKNQBA-UHFFFAOYSA-N 1 0 307.825 3.437 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c(O)c1 ZINC001658294272 1196238062 /nfs/dbraw/zinc/23/80/62/1196238062.db2.gz QKDCRKTVZFUUMH-WMZOPIPTSA-N 1 0 307.434 3.345 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1O ZINC001658399400 1196252193 /nfs/dbraw/zinc/25/21/93/1196252193.db2.gz SUAVGMFPWRZCGP-WMZOPIPTSA-N 1 0 301.361 3.436 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(Br)cc2O)CCS1 ZINC001658489839 1196264914 /nfs/dbraw/zinc/26/49/14/1196264914.db2.gz MZQLEUJUCNKEKE-UHFFFAOYSA-N 1 0 316.264 3.482 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC001658648815 1196284160 /nfs/dbraw/zinc/28/41/60/1196284160.db2.gz IWRBLJWFYIDNOT-RTBURBONSA-N 1 0 302.462 3.498 20 10 DGCDRO CCC(CC)(C[NH2+]Cc1ccc2c(c1)CCCO2)C(=O)OC ZINC001658795464 1196301431 /nfs/dbraw/zinc/30/14/31/1196301431.db2.gz DYSHGBRESJQKMS-UHFFFAOYSA-N 1 0 305.418 3.081 20 10 DGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cccc(CC)c2O)C1 ZINC001659009017 1196332126 /nfs/dbraw/zinc/33/21/26/1196332126.db2.gz FIRVKIHQJHWSLF-IBGZPJMESA-N 1 0 319.445 3.366 20 10 DGCDRO CCOC(=O)CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC001659144430 1196352292 /nfs/dbraw/zinc/35/22/92/1196352292.db2.gz GIZDKXUAFLWTIR-WAYWQWQTSA-N 1 0 316.445 3.183 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC001659551634 1196394491 /nfs/dbraw/zinc/39/44/91/1196394491.db2.gz QNBDGAOPOBCQOD-UHFFFAOYSA-N 1 0 316.445 3.006 20 10 DGCDRO CO[C@@H](C)C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001659723605 1196408817 /nfs/dbraw/zinc/40/88/17/1196408817.db2.gz OXKOOTRMAFVMPK-HNNXBMFYSA-N 1 0 302.418 3.383 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)cc1 ZINC001659755505 1196411171 /nfs/dbraw/zinc/41/11/71/1196411171.db2.gz QHTPTVJNEMZBON-KSZLIROESA-N 1 0 302.462 3.124 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001659792567 1196414563 /nfs/dbraw/zinc/41/45/63/1196414563.db2.gz SXFPURSLIBVMFW-RHSMWYFYSA-N 1 0 318.804 3.451 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C(C)C)ccc1O ZINC001659796004 1196415003 /nfs/dbraw/zinc/41/50/03/1196415003.db2.gz GBNBPPQUCHJTFX-CVEARBPZSA-N 1 0 305.418 3.337 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC001659855673 1196421977 /nfs/dbraw/zinc/42/19/77/1196421977.db2.gz MJJCSCWMGIVHQL-MULDZMIYSA-N 1 0 302.487 3.451 20 10 DGCDRO CC/C=C/CC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001659857342 1196422343 /nfs/dbraw/zinc/42/23/43/1196422343.db2.gz NTXWATNZIBYUFU-AATRIKPKSA-N 1 0 304.434 3.182 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c1 ZINC001660004491 1196437103 /nfs/dbraw/zinc/43/71/03/1196437103.db2.gz WRZZQMZZMCQQKT-SJORKVTESA-N 1 0 320.502 3.185 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)C[C@]23CCC[C@H]2OCC3)c1O ZINC001660924035 1196543425 /nfs/dbraw/zinc/54/34/25/1196543425.db2.gz ADADHLFQMOAKKJ-SJLPKXTDSA-N 1 0 305.418 3.100 20 10 DGCDRO CCCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001661565525 1196620218 /nfs/dbraw/zinc/62/02/18/1196620218.db2.gz GHQAXOZDHKLHIU-CALCHBBNSA-N 1 0 318.461 3.321 20 10 DGCDRO CC(C)OC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCC1 ZINC001663203520 1196810438 /nfs/dbraw/zinc/81/04/38/1196810438.db2.gz GJJZXJDXCQSMHA-UHFFFAOYSA-N 1 0 312.404 3.468 20 10 DGCDRO CC[N@H+](CCc1ccccn1)Cc1c(C)cc(OC)cc1O ZINC001663869717 1196952779 /nfs/dbraw/zinc/95/27/79/1196952779.db2.gz CQRXHRRTYNJNKJ-UHFFFAOYSA-N 1 0 300.402 3.169 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC001664551986 1197013440 /nfs/dbraw/zinc/01/34/40/1197013440.db2.gz OGAWPZOQEZQCDQ-HNNXBMFYSA-N 1 0 319.445 3.286 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc([Si](C)(C)C)cc2)c1 ZINC001664761039 1197054624 /nfs/dbraw/zinc/05/46/24/1197054624.db2.gz GTWJICAXJMVYQQ-UHFFFAOYSA-N 1 0 315.489 3.236 20 10 DGCDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001664815464 1197061790 /nfs/dbraw/zinc/06/17/90/1197061790.db2.gz GUWUOIFBUAUSCK-OAHLLOKOSA-N 1 0 320.477 3.224 20 10 DGCDRO Cc1noc2ncc(C[NH2+]Cc3cc(Cl)ccc3O)cc12 ZINC001665146603 1197101918 /nfs/dbraw/zinc/10/19/18/1197101918.db2.gz PFHBUVFEPURYAZ-UHFFFAOYSA-N 1 0 303.749 3.180 20 10 DGCDRO CC[C@@H](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001754265528 1200162961 /nfs/dbraw/zinc/16/29/61/1200162961.db2.gz MDHVMGKYOODBBU-HIFRSBDPSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)=C2CCC2)cc1C ZINC001754266506 1200164117 /nfs/dbraw/zinc/16/41/17/1200164117.db2.gz WUHRUTNEPVUAKI-AWEZNQCLSA-N 1 0 316.445 3.098 20 10 DGCDRO CCOc1ccc(O)c(CN2CCC([NH+](CC)CC)CC2)c1 ZINC000121725840 1200227564 /nfs/dbraw/zinc/22/75/64/1200227564.db2.gz BTQYJTKFWDMMTI-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CCC(C)C)cc1C ZINC001755577661 1200965582 /nfs/dbraw/zinc/96/55/82/1200965582.db2.gz PJYRFGSBDWOMJO-INIZCTEOSA-N 1 0 320.477 3.376 20 10 DGCDRO CC[C@@H](CNC(=O)CC1(C)CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698607170 1201276961 /nfs/dbraw/zinc/27/69/61/1201276961.db2.gz HGPYKNSQHATONS-INIZCTEOSA-N 1 0 318.461 3.178 20 10 DGCDRO CCC(CC)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001752862974 1201982969 /nfs/dbraw/zinc/98/29/69/1201982969.db2.gz WCRXGWULGVNLAA-CQSZACIVSA-N 1 0 306.450 3.034 20 10 DGCDRO CCCC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700439444 1202273367 /nfs/dbraw/zinc/27/33/67/1202273367.db2.gz VVNRPXFLCCJNHT-UHFFFAOYSA-N 1 0 320.477 3.378 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)cc1O ZINC000156850214 1202601462 /nfs/dbraw/zinc/60/14/62/1202601462.db2.gz WOGZNEOLEAUUCL-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO C/C=C(\C)C(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001715540075 1203367858 /nfs/dbraw/zinc/36/78/58/1203367858.db2.gz TXTCYDGLUOVDGD-OEXZBZRSSA-N 1 0 318.461 3.200 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)/C=C/C(C)(C)C)cc1C ZINC001715971127 1203414002 /nfs/dbraw/zinc/41/40/02/1203414002.db2.gz VBKMAIGBBLTDEL-FEAKQIBJSA-N 1 0 318.461 3.200 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(C)CCC2)cc1C ZINC001732434208 1204838007 /nfs/dbraw/zinc/83/80/07/1204838007.db2.gz DOJSNUWSAZRNSU-HNNXBMFYSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC2CCCC2)cc1C ZINC001732986124 1204973726 /nfs/dbraw/zinc/97/37/26/1204973726.db2.gz DUTMTOIGLDYJML-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCC(CC)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001733965595 1205273174 /nfs/dbraw/zinc/27/31/74/1205273174.db2.gz VZRXMOVREHOUDG-LSDHHAIUSA-N 1 0 320.477 3.423 20 10 DGCDRO CCC(CC)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001733965591 1205273183 /nfs/dbraw/zinc/27/31/83/1205273183.db2.gz VZRXMOVREHOUDG-GJZGRUSLSA-N 1 0 320.477 3.423 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001169462939 1081572990 /nfs/dbraw/zinc/57/29/90/1081572990.db2.gz SDDPUFJCDPKSKK-YXJHDRRASA-N 1 0 318.461 3.383 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169961232 1081684925 /nfs/dbraw/zinc/68/49/25/1081684925.db2.gz IXNBYHNHDPGKAU-GOSISDBHSA-N 1 0 318.461 3.260 20 10 DGCDRO CCC[C@]1([NH2+]Cc2ccc(Br)cc2O)CCOC1 ZINC000691468395 1081858075 /nfs/dbraw/zinc/85/80/75/1081858075.db2.gz MFQMJFWPVMOMRD-AWEZNQCLSA-N 1 0 314.223 3.204 20 10 DGCDRO CCOC[C@H]([NH2+]Cc1ccc(Br)cc1O)C(C)C ZINC000691488747 1081923222 /nfs/dbraw/zinc/92/32/22/1081923222.db2.gz NXPZLYXPODPDHY-ZDUSSCGKSA-N 1 0 316.239 3.305 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000691485673 1081923613 /nfs/dbraw/zinc/92/36/13/1081923613.db2.gz ZSCPJEMQYCWEAS-LJQANCHMSA-N 1 0 310.441 3.319 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CCO[C@H](CC)C3)CC2)cc1 ZINC001170241445 1082325594 /nfs/dbraw/zinc/32/55/94/1082325594.db2.gz WTMRYHSEFZUAQT-QZTJIDSGSA-N 1 0 318.461 3.165 20 10 DGCDRO COC(=O)/C=C\c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001167626419 1082620828 /nfs/dbraw/zinc/62/08/28/1082620828.db2.gz KTWPAVSWOVRFQS-FLIBITNWSA-N 1 0 316.445 3.358 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)C(C)(C)C)cc1C ZINC001132421813 1082903588 /nfs/dbraw/zinc/90/35/88/1082903588.db2.gz VNUCZIRTVQZZIQ-UHFFFAOYSA-N 1 0 320.477 3.282 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CC[C@H](C)C2)cc1C ZINC001132538872 1082937097 /nfs/dbraw/zinc/93/70/97/1082937097.db2.gz RPASYBFCRKKZAM-GOEBONIOSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C=C(C)C)cc1C ZINC001133587188 1083157666 /nfs/dbraw/zinc/15/76/66/1083157666.db2.gz RWTUUHAOSVQFDA-JKSUJKDBSA-N 1 0 318.461 3.343 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(C)C)cc1C ZINC001133591355 1083159076 /nfs/dbraw/zinc/15/90/76/1083159076.db2.gz VQVISDJWQAWAKI-HZPDHXFCSA-N 1 0 320.477 3.423 20 10 DGCDRO CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC001170713198 1083212728 /nfs/dbraw/zinc/21/27/28/1083212728.db2.gz NSOFUVDQBFNNKC-XGWQRUHWSA-N 1 0 300.446 3.047 20 10 DGCDRO C/C=C(/C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001134051647 1083233101 /nfs/dbraw/zinc/23/31/01/1083233101.db2.gz NFQZXFVMARTHGU-HUTFFOLGSA-N 1 0 318.461 3.343 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000686279062 1083301035 /nfs/dbraw/zinc/30/10/35/1083301035.db2.gz IIOCTLIUGVLTHM-ZDUSSCGKSA-N 1 0 320.433 3.046 20 10 DGCDRO CCCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181029566 1083397423 /nfs/dbraw/zinc/39/74/23/1083397423.db2.gz RBDRWGRYFXFQHR-QGZVFWFLSA-N 1 0 318.461 3.274 20 10 DGCDRO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001181112830 1083408310 /nfs/dbraw/zinc/40/83/10/1083408310.db2.gz NJGPASYLOGTPKI-CZUORRHYSA-N 1 0 305.418 3.289 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H](O)Cc2ccccc2)c(Cl)c1 ZINC001182109879 1083622886 /nfs/dbraw/zinc/62/28/86/1083622886.db2.gz UHHPILFZTOLIOH-OAHLLOKOSA-N 1 0 319.832 3.389 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cnccc1C(F)(F)F ZINC001182990358 1083852349 /nfs/dbraw/zinc/85/23/49/1083852349.db2.gz PHRPAAGTIPPMNF-UHFFFAOYSA-N 1 0 300.255 3.235 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)c1O ZINC001184188898 1084114813 /nfs/dbraw/zinc/11/48/13/1084114813.db2.gz PUWKXKKAXQAIEL-XHDPSFHLSA-N 1 0 313.850 3.239 20 10 DGCDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(N)cc1 ZINC001576036528 1126215007 /nfs/dbraw/zinc/21/50/07/1126215007.db2.gz KFKDWBJMUGGDER-QGZVFWFLSA-N 1 0 304.821 3.006 20 10 DGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711494684 1085470917 /nfs/dbraw/zinc/47/09/17/1085470917.db2.gz BXNVDYBJLCZLMU-JTQLQIEISA-N 1 0 302.187 3.336 20 10 DGCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(Cl)cc2O)c1 ZINC001621255610 1126246228 /nfs/dbraw/zinc/24/62/28/1126246228.db2.gz NLCYZVMPXFDZLP-INIZCTEOSA-N 1 0 305.805 3.047 20 10 DGCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001664329555 1126266871 /nfs/dbraw/zinc/26/68/71/1126266871.db2.gz PSSVJGJNVXRCSR-INIZCTEOSA-N 1 0 319.832 3.356 20 10 DGCDRO CCC(CC)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001270895165 1086156835 /nfs/dbraw/zinc/15/68/35/1086156835.db2.gz IJFIZDFJPFPDCU-HNNXBMFYSA-N 1 0 320.477 3.376 20 10 DGCDRO Cc1ccc2c(cc[nH+]c2NCCc2cc(O)c(O)cc2O)c1 ZINC001168009382 1086178766 /nfs/dbraw/zinc/17/87/66/1086178766.db2.gz HNXPZGYJZPAPHE-UHFFFAOYSA-N 1 0 310.353 3.315 20 10 DGCDRO CCC1(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001271093616 1086285788 /nfs/dbraw/zinc/28/57/88/1086285788.db2.gz QJERCEXQQOHYJC-HNNXBMFYSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[N@H+](C)CCc2ccccc2OC)c(O)c1 ZINC000093105352 1086333592 /nfs/dbraw/zinc/33/35/92/1086333592.db2.gz YNWYGYONRHKQOU-UHFFFAOYSA-N 1 0 301.386 3.084 20 10 DGCDRO C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@](C)(C(F)F)O1 ZINC000698930095 1087708830 /nfs/dbraw/zinc/70/88/30/1087708830.db2.gz YRDBZNBOBKENDQ-YMTOWFKASA-N 1 0 305.752 3.290 20 10 DGCDRO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)ccc2O)C1=O ZINC001272623073 1088334105 /nfs/dbraw/zinc/33/41/05/1088334105.db2.gz WKRUGWUKXZIRMY-IBGZPJMESA-N 1 0 316.445 3.068 20 10 DGCDRO CC[NH+]1CCN(Cc2ccc(Nc3ccc(N)cc3)cc2)CC1 ZINC001159509419 1088372899 /nfs/dbraw/zinc/37/28/99/1088372899.db2.gz DYHBNOBKGZBNEE-UHFFFAOYSA-N 1 0 310.445 3.150 20 10 DGCDRO O=C1c2cccc(NC3=CC[NH2+]C3)c2C(=O)c2cccc(Cl)c21 ZINC001159713058 1088457494 /nfs/dbraw/zinc/45/74/94/1088457494.db2.gz BIYYCPLPLKHEKR-UHFFFAOYSA-N 1 0 324.767 3.014 20 10 DGCDRO CCN(Cc1ccccc1O)c1nc(N2CCCC2)cc(C)[nH+]1 ZINC001154881295 1088807203 /nfs/dbraw/zinc/80/72/03/1088807203.db2.gz GYGZZGMHISJREK-UHFFFAOYSA-N 1 0 312.417 3.117 20 10 DGCDRO CCN(Cc1ccccc1O)c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001154890757 1088812380 /nfs/dbraw/zinc/81/23/80/1088812380.db2.gz MKLBNHXWDCUDLT-UHFFFAOYSA-N 1 0 311.429 3.408 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)C(C)(C)C)cc1C ZINC001161006148 1089070784 /nfs/dbraw/zinc/07/07/84/1089070784.db2.gz FKWJNZGOGCQUOO-HNNXBMFYSA-N 1 0 320.477 3.282 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ccc4occc4n3)cc2)CC1 ZINC001156657271 1089628266 /nfs/dbraw/zinc/62/82/66/1089628266.db2.gz KVVUAMMDYAXLKN-UHFFFAOYSA-N 1 0 322.412 3.192 20 10 DGCDRO CC(C)N(CCC[NH3+])c1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001164122842 1090348803 /nfs/dbraw/zinc/34/88/03/1090348803.db2.gz QVIUJRAWSSGNJM-UHFFFAOYSA-N 1 0 309.417 3.189 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC2(C)C)cc1C ZINC001164312650 1090398438 /nfs/dbraw/zinc/39/84/38/1090398438.db2.gz UJYMJWKOXRVSSG-MRXNPFEDSA-N 1 0 318.461 3.036 20 10 DGCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(C)cc2O)C1=O ZINC001272766398 1090561737 /nfs/dbraw/zinc/56/17/37/1090561737.db2.gz PXECUAKVHPLAMV-DNVCBOLYSA-N 1 0 316.445 3.066 20 10 DGCDRO COc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccccc3O)CCO2)cc1 ZINC001168583803 1090584386 /nfs/dbraw/zinc/58/43/86/1090584386.db2.gz KJIWOWLKIBBPOF-APWZRJJASA-N 1 0 313.397 3.411 20 10 DGCDRO C[N@H+](Cc1ccc(CO)cc1)Cc1ccc(N2CCCC2)cc1 ZINC001203188231 1090704198 /nfs/dbraw/zinc/70/41/98/1090704198.db2.gz SIAAATGOADCAOA-UHFFFAOYSA-N 1 0 310.441 3.411 20 10 DGCDRO COc1cccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)c1O ZINC001203601733 1090765557 /nfs/dbraw/zinc/76/55/57/1090765557.db2.gz IVIJHEGEUFAWJT-INIZCTEOSA-N 1 0 305.418 3.182 20 10 DGCDRO CCOc1cccc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1O ZINC001203603060 1090765782 /nfs/dbraw/zinc/76/57/82/1090765782.db2.gz IHOGNCIISQARGT-IRXDYDNUSA-N 1 0 323.392 3.203 20 10 DGCDRO CCOc1cccc(CN2CCCC[C@H]2C[NH+]2CCCC2)c1O ZINC001203608981 1090766379 /nfs/dbraw/zinc/76/63/79/1090766379.db2.gz DNZWDNXWGRUCBY-KRWDZBQOSA-N 1 0 318.461 3.241 20 10 DGCDRO CCCCC[NH+]1CCN(Cc2cccc(OCC)c2O)CC1 ZINC001203609131 1090766691 /nfs/dbraw/zinc/76/66/91/1090766691.db2.gz IAMWHCFWHHJZAN-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c(O)c1 ZINC001203630366 1090769150 /nfs/dbraw/zinc/76/91/50/1090769150.db2.gz QXFIGOIVJDJTQV-SFHVURJKSA-N 1 0 313.397 3.192 20 10 DGCDRO COc1ccc(C[N@H+](CC(=O)c2ccccc2)C(C)C)c(O)c1 ZINC001203628887 1090769329 /nfs/dbraw/zinc/76/93/29/1090769329.db2.gz JRSVCKUJGNYQJW-UHFFFAOYSA-N 1 0 313.397 3.494 20 10 DGCDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203648774 1090772679 /nfs/dbraw/zinc/77/26/79/1090772679.db2.gz UBJAZMVMZQUASA-ZDUSSCGKSA-N 1 0 324.852 3.126 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001203658476 1090774601 /nfs/dbraw/zinc/77/46/01/1090774601.db2.gz XHKCCSRWXWESEC-UHFFFAOYSA-N 1 0 318.804 3.484 20 10 DGCDRO CCc1noc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203664265 1090775858 /nfs/dbraw/zinc/77/58/58/1090775858.db2.gz UTSHDYMPRLJKSX-NSHDSACASA-N 1 0 321.808 3.371 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664462 1090776299 /nfs/dbraw/zinc/77/62/99/1090776299.db2.gz FYPCRBSLVRUYAB-INIZCTEOSA-N 1 0 311.809 3.211 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c1 ZINC001203680911 1090778790 /nfs/dbraw/zinc/77/87/90/1090778790.db2.gz JEEQTGQCDVZYRK-UHFFFAOYSA-N 1 0 305.418 3.324 20 10 DGCDRO Oc1ccc(C[NH+]2CCC(Sc3ccncc3)CC2)cc1O ZINC001203882276 1090826085 /nfs/dbraw/zinc/82/60/85/1090826085.db2.gz GXSOWVZAGQYMEH-UHFFFAOYSA-N 1 0 316.426 3.250 20 10 DGCDRO Oc1ccc(C[NH+]2CCC3(Cc4ccccc4O3)CC2)cc1O ZINC001203879098 1090826177 /nfs/dbraw/zinc/82/61/77/1090826177.db2.gz FHTCQLMUPINGIE-UHFFFAOYSA-N 1 0 311.381 3.068 20 10 DGCDRO CN(Cc1ccc(O)c(O)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001203883749 1090826320 /nfs/dbraw/zinc/82/63/20/1090826320.db2.gz NMTBCPOJWJVYAQ-UHFFFAOYSA-N 1 0 318.461 3.327 20 10 DGCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203931783 1090842520 /nfs/dbraw/zinc/84/25/20/1090842520.db2.gz WBWQAYHSVGYQOM-LJQANCHMSA-N 1 0 318.461 3.308 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC001203936756 1090844382 /nfs/dbraw/zinc/84/43/82/1090844382.db2.gz MKOSRYAEVZXGOI-WBVHZDCISA-N 1 0 318.461 3.164 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)cc1 ZINC001203941743 1090845987 /nfs/dbraw/zinc/84/59/87/1090845987.db2.gz GIYNRNSCXMIPAU-IBGZPJMESA-N 1 0 316.445 3.204 20 10 DGCDRO CC(=O)Oc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC001203953890 1090849894 /nfs/dbraw/zinc/84/98/94/1090849894.db2.gz GUULXIUIDYHLIV-UHFFFAOYSA-N 1 0 312.413 3.310 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c2ccccc21 ZINC001204232357 1090929101 /nfs/dbraw/zinc/92/91/01/1090929101.db2.gz BFRCPFJEHSGOCD-HKUYNNGSSA-N 1 0 316.420 3.201 20 10 DGCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232677 1090930564 /nfs/dbraw/zinc/93/05/64/1090930564.db2.gz IFSAVDCWZBLSSF-CVEARBPZSA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)c2ccccc21 ZINC001204240391 1090932541 /nfs/dbraw/zinc/93/25/41/1090932541.db2.gz QXKGVIARFUIZRR-UTKZUKDTSA-N 1 0 323.484 3.432 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1O ZINC001143103812 1090934470 /nfs/dbraw/zinc/93/44/70/1090934470.db2.gz KRESNQRHKNATIN-OAHLLOKOSA-N 1 0 317.351 3.189 20 10 DGCDRO COc1ccccc1C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278545 1090939236 /nfs/dbraw/zinc/93/92/36/1090939236.db2.gz FMRCUKZYKLTJCV-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO OCC[N@H+](Cc1cccs1)Cc1ccc(N2CCCC2)cc1 ZINC001204326348 1090949120 /nfs/dbraw/zinc/94/91/20/1090949120.db2.gz GFSDGEFPWNRWJV-UHFFFAOYSA-N 1 0 316.470 3.343 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@]1(C)O ZINC001204325625 1090949469 /nfs/dbraw/zinc/94/94/69/1090949469.db2.gz RLSCPFXBBZAZAR-VQIMIIECSA-N 1 0 302.462 3.270 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](CCCO)CC(C)(C)C)cc1 ZINC001204459139 1090974229 /nfs/dbraw/zinc/97/42/29/1090974229.db2.gz AYOCYXPJOMEIPY-SOFGYWHQSA-N 1 0 304.478 3.496 20 10 DGCDRO Nc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC001204885161 1091054738 /nfs/dbraw/zinc/05/47/38/1091054738.db2.gz LSYFEYGWDHCNBV-QPJJXVBHSA-N 1 0 307.441 3.100 20 10 DGCDRO CCCC[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001205052874 1091091890 /nfs/dbraw/zinc/09/18/90/1091091890.db2.gz NZYCEVMJMKDWAL-UHFFFAOYSA-N 1 0 306.381 3.336 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001138215777 1091118312 /nfs/dbraw/zinc/11/83/12/1091118312.db2.gz VAXZCSCCJPBXER-MJGOQNOKSA-N 1 0 300.446 3.288 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001138215780 1091118520 /nfs/dbraw/zinc/11/85/20/1091118520.db2.gz VCPNPSLZICZETD-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO O=C1CCC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]12 ZINC001138222086 1091119817 /nfs/dbraw/zinc/11/98/17/1091119817.db2.gz GFOSMHXMCIJHIK-PKOBYXMFSA-N 1 0 312.457 3.478 20 10 DGCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138257934 1091126149 /nfs/dbraw/zinc/12/61/49/1091126149.db2.gz DWFDBADQZYREDB-HIFRSBDPSA-N 1 0 314.429 3.118 20 10 DGCDRO Cc1c(C[N@@H+]2CCCC[C@@](O)(CF)C2)c2ccccc2n1C ZINC001138252328 1091126989 /nfs/dbraw/zinc/12/69/89/1091126989.db2.gz CFWTZULKJSDAMS-GOSISDBHSA-N 1 0 304.409 3.173 20 10 DGCDRO Oc1c(C[NH+]2CCC(F)(F)CC2)cc2c3c1CCCN3CCC2 ZINC001138338710 1091146605 /nfs/dbraw/zinc/14/66/05/1091146605.db2.gz UNJJVCCVIUSHIJ-UHFFFAOYSA-N 1 0 322.399 3.322 20 10 DGCDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138355870 1091149981 /nfs/dbraw/zinc/14/99/81/1091149981.db2.gz AKANIKHCPITEJB-QUCCMNQESA-N 1 0 314.473 3.318 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCC(=O)[C@@H]4CCCC[C@@H]43)ccc21 ZINC001138354859 1091150004 /nfs/dbraw/zinc/15/00/04/1091150004.db2.gz WWVKLYFMVQGNTO-MJGOQNOKSA-N 1 0 312.457 3.403 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CCC(c4ncccn4)CC3)ccc21 ZINC001138356088 1091150073 /nfs/dbraw/zinc/15/00/73/1091150073.db2.gz HHAZYJGFYCHPIE-UHFFFAOYSA-N 1 0 322.456 3.239 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCC4(C3)CCOCC4)ccc21 ZINC001138358571 1091151555 /nfs/dbraw/zinc/15/15/55/1091151555.db2.gz VDLLZBNWGRLOAH-UHFFFAOYSA-N 1 0 300.446 3.072 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c(OC)c1 ZINC001138386170 1091161096 /nfs/dbraw/zinc/16/10/96/1091161096.db2.gz IIOYEQUSFGPJDM-CRAIPNDOSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c(OC)c1 ZINC001138386173 1091161391 /nfs/dbraw/zinc/16/13/91/1091161391.db2.gz IIOYEQUSFGPJDM-YJBOKZPZSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC3(COC3)C2)c(OC)c1 ZINC001138386225 1091161456 /nfs/dbraw/zinc/16/14/56/1091161456.db2.gz KGZKROMQUFWPES-UHFFFAOYSA-N 1 0 318.461 3.154 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c(OC)c1 ZINC001138386871 1091163362 /nfs/dbraw/zinc/16/33/62/1091163362.db2.gz YPWRARRKIDNKPF-BEFAXECRSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(OC)c1 ZINC001138390438 1091165993 /nfs/dbraw/zinc/16/59/93/1091165993.db2.gz WZQQUAWHVCQKMF-WMZOPIPTSA-N 1 0 318.461 3.152 20 10 DGCDRO C[C@@H]1CCN(Cc2c(O)ccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC001205317338 1091181897 /nfs/dbraw/zinc/18/18/97/1091181897.db2.gz OCKDREFKXYTYBG-NXEZZACHSA-N 1 0 303.233 3.116 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001138496959 1091206188 /nfs/dbraw/zinc/20/61/88/1091206188.db2.gz VSOACCHKBYSXFA-ZWKOTPCHSA-N 1 0 300.446 3.145 20 10 DGCDRO CCSc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC001138658400 1091279331 /nfs/dbraw/zinc/27/93/31/1091279331.db2.gz PNUWMISICRYTMP-UHFFFAOYSA-N 1 0 316.474 3.287 20 10 DGCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817850 1091363839 /nfs/dbraw/zinc/36/38/39/1091363839.db2.gz RPXRHJOUSMIICY-LPHOPBHVSA-N 1 0 301.478 3.236 20 10 DGCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001205853339 1091379339 /nfs/dbraw/zinc/37/93/39/1091379339.db2.gz IAJDBOPJTLHIHW-UKRRQHHQSA-N 1 0 316.445 3.136 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(C(C)C)ccc1O)C(C)C ZINC001205908896 1091405671 /nfs/dbraw/zinc/40/56/71/1091405671.db2.gz VQFOSCTWVXNJPE-KRWDZBQOSA-N 1 0 306.450 3.108 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)CC1CCCC1 ZINC001139131625 1091459549 /nfs/dbraw/zinc/45/95/49/1091459549.db2.gz QFAOXNROIRPJHJ-UHFFFAOYSA-N 1 0 301.386 3.429 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC001139129227 1091459731 /nfs/dbraw/zinc/45/97/31/1091459731.db2.gz RCNBVCZHEBUYLW-YPMHNXCESA-N 1 0 301.386 3.427 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC001206205763 1091534437 /nfs/dbraw/zinc/53/44/37/1091534437.db2.gz RBVNZEMNAYSKFW-ZDUSSCGKSA-N 1 0 323.433 3.119 20 10 DGCDRO Cc1nnc(C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)o1 ZINC001139674076 1091640100 /nfs/dbraw/zinc/64/01/00/1091640100.db2.gz PHPLVDFRZZUNIL-UHFFFAOYSA-N 1 0 314.433 3.132 20 10 DGCDRO Cc1cccc(O[C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC001140056099 1091752812 /nfs/dbraw/zinc/75/28/12/1091752812.db2.gz HXMVSLNAMCKDAG-INIZCTEOSA-N 1 0 316.376 3.278 20 10 DGCDRO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060049 1091754158 /nfs/dbraw/zinc/75/41/58/1091754158.db2.gz IPHBHABCMHZVOD-GFCCVEGCSA-N 1 0 309.381 3.085 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c1O ZINC001140178722 1091792074 /nfs/dbraw/zinc/79/20/74/1091792074.db2.gz VMNODXWODBXISQ-UHFFFAOYSA-N 1 0 311.381 3.296 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1O ZINC001140181360 1091793640 /nfs/dbraw/zinc/79/36/40/1091793640.db2.gz TUMXRXVKSMXEDW-FQEVSTJZSA-N 1 0 322.408 3.105 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(F)F)C3)cc2)CC1 ZINC001140285800 1091817245 /nfs/dbraw/zinc/81/72/45/1091817245.db2.gz QVZAOMMOIADFDZ-OAHLLOKOSA-N 1 0 324.415 3.125 20 10 DGCDRO Cc1ccc2c(n1)N(C)CCN(Cc1c(O)cccc1Cl)C2 ZINC001140338973 1091832857 /nfs/dbraw/zinc/83/28/57/1091832857.db2.gz BQIRHJNWGAIORF-UHFFFAOYSA-N 1 0 317.820 3.201 20 10 DGCDRO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(Cl)cc1O)CCC2 ZINC001140464550 1091875629 /nfs/dbraw/zinc/87/56/29/1091875629.db2.gz UOSRWQBGTHDJNX-UHFFFAOYSA-N 1 0 319.788 3.405 20 10 DGCDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)nc1 ZINC001140464392 1091876712 /nfs/dbraw/zinc/87/67/12/1091876712.db2.gz NURXTUWOKMFSEK-OAHLLOKOSA-N 1 0 318.804 3.402 20 10 DGCDRO CC[C@H]1[N@H+](Cc2ccc(Cl)cc2O)CCC[C@]12CCC(=O)N2 ZINC001140467168 1091877796 /nfs/dbraw/zinc/87/77/96/1091877796.db2.gz NSTISJJEPLCGPU-WBVHZDCISA-N 1 0 322.836 3.069 20 10 DGCDRO C[NH+]1CCC(C2CC[NH+](Cc3c([O-])cc(F)cc3F)CC2)CC1 ZINC001140583593 1091919305 /nfs/dbraw/zinc/91/93/05/1091919305.db2.gz MKVBTHGJQYLIHW-UHFFFAOYSA-N 1 0 324.415 3.224 20 10 DGCDRO Cc1ccc(F)cc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001140592402 1091924818 /nfs/dbraw/zinc/92/48/18/1091924818.db2.gz KTMNIEUNPLNHPT-UHFFFAOYSA-N 1 0 301.361 3.494 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ncccc3Cl)CC2)c1 ZINC001140622880 1091935032 /nfs/dbraw/zinc/93/50/32/1091935032.db2.gz GFFCHDRAKSPSHP-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140664135 1091952691 /nfs/dbraw/zinc/95/26/91/1091952691.db2.gz ZSTJAGGQPKQPSJ-GJZGRUSLSA-N 1 0 306.425 3.140 20 10 DGCDRO Cc1c(O)ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1O ZINC001140747505 1091984662 /nfs/dbraw/zinc/98/46/62/1091984662.db2.gz CEVYFWWTALAJBV-UHFFFAOYSA-N 1 0 313.397 3.491 20 10 DGCDRO Cc1c(O)ccc(C[NH+]2CCC(Cc3ccncc3)CC2)c1O ZINC001140748150 1091984819 /nfs/dbraw/zinc/98/48/19/1091984819.db2.gz SJRUTWFNNCIOMM-UHFFFAOYSA-N 1 0 312.413 3.256 20 10 DGCDRO Oc1cc2c(cc1O)C[N@H+](CCc1ccccc1F)CCC2 ZINC001207505029 1091997068 /nfs/dbraw/zinc/99/70/68/1091997068.db2.gz TWECKPLZHHNGDX-UHFFFAOYSA-N 1 0 301.361 3.228 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(O)c1 ZINC001140851064 1092029393 /nfs/dbraw/zinc/02/93/93/1092029393.db2.gz ZRDJFBWZINMCHW-LPHOPBHVSA-N 1 0 318.461 3.239 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[NH+](CC(C)C)CC2)c(O)c1 ZINC001140853196 1092030614 /nfs/dbraw/zinc/03/06/14/1092030614.db2.gz PATKPJVNIWRJQQ-UHFFFAOYSA-N 1 0 319.493 3.012 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3ccncc3C2)c(O)c1 ZINC001140855809 1092031765 /nfs/dbraw/zinc/03/17/65/1092031765.db2.gz KVULTSRDNXVVPE-UHFFFAOYSA-N 1 0 311.429 3.192 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCc2ccccn2)c(Cl)c1 ZINC001140921395 1092062380 /nfs/dbraw/zinc/06/23/80/1092062380.db2.gz CZGLHHZBAJBNMG-UHFFFAOYSA-N 1 0 303.837 3.476 20 10 DGCDRO CN(C)c1ccc(CN(CCO)Cc2ccccc2)c(Cl)c1 ZINC001140921707 1092063214 /nfs/dbraw/zinc/06/32/14/1092063214.db2.gz NPYLVFURAOWVTB-UHFFFAOYSA-N 1 0 318.848 3.401 20 10 DGCDRO CN(C)c1ccc(CN(C)CCC[NH+]2CCCC2)c(Cl)c1 ZINC001140923716 1092065556 /nfs/dbraw/zinc/06/55/56/1092065556.db2.gz GYPNQUKSNRACTE-UHFFFAOYSA-N 1 0 309.885 3.324 20 10 DGCDRO Cc1ccc(CN2CC[NH+](CC3CCCCC3)CC2)c(O)c1 ZINC001140948778 1092075358 /nfs/dbraw/zinc/07/53/58/1092075358.db2.gz ZOKKBKCLIMHKBX-UHFFFAOYSA-N 1 0 302.462 3.399 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1 ZINC001140953573 1092076983 /nfs/dbraw/zinc/07/69/83/1092076983.db2.gz CEZVYOHVZQEUFL-QUCCMNQESA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3nccc4occc43)CC2)c(O)c1 ZINC001140950981 1092077305 /nfs/dbraw/zinc/07/73/05/1092077305.db2.gz RPKBXZTVFPPGRT-UHFFFAOYSA-N 1 0 323.396 3.164 20 10 DGCDRO Cc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c(O)c1 ZINC001140951106 1092077840 /nfs/dbraw/zinc/07/78/40/1092077840.db2.gz ZDCHZOUFTOXGBI-QUCCMNQESA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(O)c1 ZINC001140954484 1092079913 /nfs/dbraw/zinc/07/99/13/1092079913.db2.gz UHMUUDKICWSOOL-KRWDZBQOSA-N 1 0 301.361 3.493 20 10 DGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(C)cc3O)C2)n1 ZINC001140957755 1092082883 /nfs/dbraw/zinc/08/28/83/1092082883.db2.gz MPEGXMSGFKESCS-CQSZACIVSA-N 1 0 301.390 3.026 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3CCSCC3)CC2)c(C)c1 ZINC001207756698 1092091694 /nfs/dbraw/zinc/09/16/94/1092091694.db2.gz MNDXAMKWECCUJC-UHFFFAOYSA-N 1 0 320.502 3.269 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(C(F)(F)F)CC2)c(OC)c1 ZINC001141026123 1092111260 /nfs/dbraw/zinc/11/12/60/1092111260.db2.gz DNGJJORWSBZDMW-UHFFFAOYSA-N 1 0 319.323 3.184 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCO[C@@H](C(C)(C)C)CC2)cc1OC ZINC001207836174 1092113212 /nfs/dbraw/zinc/11/32/12/1092113212.db2.gz HENMPNFSLHAKIO-QGZVFWFLSA-N 1 0 323.433 3.046 20 10 DGCDRO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)C[C@@H]1CCCCO1 ZINC001141075854 1092129307 /nfs/dbraw/zinc/12/93/07/1092129307.db2.gz CVWYMZPAFMHXGO-IBGZPJMESA-N 1 0 314.473 3.386 20 10 DGCDRO CN1CCOc2cc(CN3CCc4cc(F)ccc4C3)ccc21 ZINC001141145586 1092150830 /nfs/dbraw/zinc/15/08/30/1092150830.db2.gz WOJCUDVARXZXMQ-UHFFFAOYSA-N 1 0 312.388 3.213 20 10 DGCDRO CN1CCOc2cc(CN3CCC[C@H]3c3nccs3)ccc21 ZINC001141144009 1092151038 /nfs/dbraw/zinc/15/10/38/1092151038.db2.gz SKPXJQURMZDSAF-HNNXBMFYSA-N 1 0 315.442 3.309 20 10 DGCDRO Oc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC001141160100 1092155894 /nfs/dbraw/zinc/15/58/94/1092155894.db2.gz QPCXATGDXXJCFS-MRXNPFEDSA-N 1 0 301.411 3.388 20 10 DGCDRO COc1cccc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)c1 ZINC001141162510 1092157653 /nfs/dbraw/zinc/15/76/53/1092157653.db2.gz VKJLAKLYFFCZQF-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(-c3ncccn3)cc1)CC2 ZINC001141190605 1092167899 /nfs/dbraw/zinc/16/78/99/1092167899.db2.gz MUDVBFRXMPCXQG-UHFFFAOYSA-N 1 0 317.392 3.408 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001168826166 1092384833 /nfs/dbraw/zinc/38/48/33/1092384833.db2.gz XABWROMBTCSVEX-MGPQQGTHSA-N 1 0 320.433 3.441 20 10 DGCDRO Cn1nc(-c2ccccc2)cc1C[N@H+](C)Cc1ccccc1O ZINC001143015829 1092604320 /nfs/dbraw/zinc/60/43/20/1092604320.db2.gz RALGRQJBGZXSIA-UHFFFAOYSA-N 1 0 307.397 3.425 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c1O ZINC001143104513 1092615441 /nfs/dbraw/zinc/61/54/41/1092615441.db2.gz UOFNWTAERATITL-SFHVURJKSA-N 1 0 309.425 3.376 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c1O ZINC001143112125 1092616553 /nfs/dbraw/zinc/61/65/53/1092616553.db2.gz LPSUSTJJARWUNX-IBGZPJMESA-N 1 0 317.429 3.361 20 10 DGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CC12CC2 ZINC001143117091 1092617654 /nfs/dbraw/zinc/61/76/54/1092617654.db2.gz SDUFAVKVUODCRN-HNNXBMFYSA-N 1 0 317.429 3.075 20 10 DGCDRO C[NH+]1CCC(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)CC1 ZINC001143312896 1092653858 /nfs/dbraw/zinc/65/38/58/1092653858.db2.gz FXABFXJMOMVBKS-UHFFFAOYSA-N 1 0 323.440 3.144 20 10 DGCDRO CC[C@@H](C)[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169401276 1092664104 /nfs/dbraw/zinc/66/41/04/1092664104.db2.gz RSSQEIZTZRSMJJ-GDBMZVCRSA-N 1 0 320.477 3.282 20 10 DGCDRO CC[C@H](C)[C@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169401279 1092664749 /nfs/dbraw/zinc/66/47/49/1092664749.db2.gz RSSQEIZTZRSMJJ-HOCLYGCPSA-N 1 0 320.477 3.282 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)CC(C)C)cc1C ZINC001169415099 1092677039 /nfs/dbraw/zinc/67/70/39/1092677039.db2.gz WRJSGDWYSDGCIV-INIZCTEOSA-N 1 0 320.477 3.282 20 10 DGCDRO Oc1cccc2c1C[N@H+](CCc1cc(F)c(F)cc1F)CC2 ZINC001209252147 1092712336 /nfs/dbraw/zinc/71/23/36/1092712336.db2.gz ICUCHMDOBUWTLN-UHFFFAOYSA-N 1 0 307.315 3.410 20 10 DGCDRO CC(C)(C)OC(=O)NCCCC[N@@H+]1CCc2cccc(O)c2C1 ZINC001209367373 1092743861 /nfs/dbraw/zinc/74/38/61/1092743861.db2.gz MLAQLQUEGOIYFJ-UHFFFAOYSA-N 1 0 320.433 3.055 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCC(C)(C)OC)CC2)cc1 ZINC001209409158 1092761394 /nfs/dbraw/zinc/76/13/94/1092761394.db2.gz DXZQLDYPUZXUFU-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO C[C@@H]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC[NH2+]1 ZINC001210517897 1093194456 /nfs/dbraw/zinc/19/44/56/1093194456.db2.gz ABIKNOGMKDHQPO-CQSZACIVSA-N 1 0 314.404 3.382 20 10 DGCDRO CN(C)c1ccc([C@H](CNC(=O)OC2CCCC2)[NH+](C)C)cc1 ZINC001213978984 1093691278 /nfs/dbraw/zinc/69/12/78/1093691278.db2.gz WBTCBTGLHVFQPP-KRWDZBQOSA-N 1 0 319.449 3.024 20 10 DGCDRO COc1ccc(C[N@H+](Cc2ccccc2)CC(C)(C)O)c(O)c1 ZINC000305757459 1094005160 /nfs/dbraw/zinc/00/51/60/1094005160.db2.gz AVMHXECEVMYLML-UHFFFAOYSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1ccc(O)c(C[N@H+](Cc2ccccc2)CC(C)(C)O)c1 ZINC000305779978 1094011120 /nfs/dbraw/zinc/01/11/20/1094011120.db2.gz NRIYDIJDZLJWOL-UHFFFAOYSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](OC(C)C)C2)c1O ZINC000404584945 1094261538 /nfs/dbraw/zinc/26/15/38/1094261538.db2.gz SWKITOXGDODPJC-AWEZNQCLSA-N 1 0 313.825 3.444 20 10 DGCDRO Nc1ccc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)cc1 ZINC001120269656 1094398364 /nfs/dbraw/zinc/39/83/64/1094398364.db2.gz XOYSJFAXVLOOFV-UHFFFAOYSA-N 1 0 312.417 3.299 20 10 DGCDRO C(c1nnc(-c2ccc(-n3cccc3)cc2)o1)=C1CC[NH2+]CC1 ZINC001217745647 1094489033 /nfs/dbraw/zinc/48/90/33/1094489033.db2.gz GEQXZZMXUMANLZ-UHFFFAOYSA-N 1 0 306.369 3.294 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000406135051 1094493284 /nfs/dbraw/zinc/49/32/84/1094493284.db2.gz MTVSYSMLQPTYDF-HXUWFJFHSA-N 1 0 310.441 3.455 20 10 DGCDRO O=C1C=CC(=NNc2ccc(O[C@H]3C[NH2+]CCOC3)cc2)C=C1 ZINC001218045309 1094575836 /nfs/dbraw/zinc/57/58/36/1094575836.db2.gz POEBLJBSDSJDLF-KRWDZBQOSA-N 1 0 313.357 3.175 20 10 DGCDRO COc1ccccc1[C@@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218194908 1094653437 /nfs/dbraw/zinc/65/34/37/1094653437.db2.gz CMMFJKLYDXVEBS-OAHLLOKOSA-N 1 0 312.413 3.245 20 10 DGCDRO COc1cccc([C@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001218293543 1094701498 /nfs/dbraw/zinc/70/14/98/1094701498.db2.gz BDFFODMOJUIQMS-HNNXBMFYSA-N 1 0 312.413 3.245 20 10 DGCDRO Nc1ccc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)cc1 ZINC001159858979 1095019686 /nfs/dbraw/zinc/01/96/86/1095019686.db2.gz PUFISVWYRVCEMP-UHFFFAOYSA-N 1 0 302.809 3.075 20 10 DGCDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(N)cc3)C2)cc1F ZINC001337838280 1095112764 /nfs/dbraw/zinc/11/27/64/1095112764.db2.gz NEZKRSXUIZXKPJ-HNNXBMFYSA-N 1 0 300.377 3.406 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](OC)c2ccc(F)cc2)c1O ZINC001338250652 1095238557 /nfs/dbraw/zinc/23/85/57/1095238557.db2.gz RYEYPHDNWGWIBK-KRWDZBQOSA-N 1 0 319.376 3.326 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)cc1O ZINC001171105905 1095381128 /nfs/dbraw/zinc/38/11/28/1095381128.db2.gz YHLUZFFBPQJMSH-OAHLLOKOSA-N 1 0 303.789 3.398 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222252616 1095513658 /nfs/dbraw/zinc/51/36/58/1095513658.db2.gz HRBLHERMBJEKDZ-OAHLLOKOSA-N 1 0 314.351 3.129 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC[C@]3(CCCC[NH2+]3)C2)c1O ZINC001222395886 1095592650 /nfs/dbraw/zinc/59/26/50/1095592650.db2.gz NLMCTZBOZOBJRF-QGZVFWFLSA-N 1 0 324.852 3.162 20 10 DGCDRO CNC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC001116585214 1095608816 /nfs/dbraw/zinc/60/88/16/1095608816.db2.gz UBIHOUAWDWPURT-CJNGLKHVSA-N 1 0 324.424 3.398 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222427263 1095609335 /nfs/dbraw/zinc/60/93/35/1095609335.db2.gz PKKZWMZMLFUZNC-HXUWFJFHSA-N 1 0 313.489 3.395 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222434405 1095612742 /nfs/dbraw/zinc/61/27/42/1095612742.db2.gz JADJWZYKYVNRCG-OAHLLOKOSA-N 1 0 314.351 3.129 20 10 DGCDRO Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc2c[nH+]cn21 ZINC001116660846 1095627491 /nfs/dbraw/zinc/62/74/91/1095627491.db2.gz AEABWNDLWCMSSR-ZDUSSCGKSA-N 1 0 322.412 3.200 20 10 DGCDRO CC[C@H]([NH2+]CCc1nc(C(C)C)no1)c1ccc(C)cc1O ZINC001116890072 1095692078 /nfs/dbraw/zinc/69/20/78/1095692078.db2.gz MXHPNCWAYABFCZ-AWEZNQCLSA-N 1 0 303.406 3.490 20 10 DGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)cc1 ZINC001144509347 1095698100 /nfs/dbraw/zinc/69/81/00/1095698100.db2.gz UFIVOZCKXBKHGK-INIZCTEOSA-N 1 0 315.369 3.149 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c(O)c1 ZINC001144515642 1095700265 /nfs/dbraw/zinc/70/02/65/1095700265.db2.gz UBOMQHNDDGKWJE-OAHLLOKOSA-N 1 0 321.323 3.419 20 10 DGCDRO C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c([O-])cccc1F ZINC001137839197 1095761047 /nfs/dbraw/zinc/76/10/47/1095761047.db2.gz VUIYXTXPZOCACA-LSDHHAIUSA-N 1 0 306.425 3.370 20 10 DGCDRO Cc1cc(C[N@H+](C)CCc2noc(C)n2)c(C)n1-c1ccccc1 ZINC001137856247 1095767107 /nfs/dbraw/zinc/76/71/07/1095767107.db2.gz VYUYRHFYWUJAMK-UHFFFAOYSA-N 1 0 324.428 3.460 20 10 DGCDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001117644268 1095789259 /nfs/dbraw/zinc/78/92/59/1095789259.db2.gz RJMGDURJKFXSJI-QGZVFWFLSA-N 1 0 310.445 3.010 20 10 DGCDRO CC(=O)Oc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001138045801 1095852793 /nfs/dbraw/zinc/85/27/93/1095852793.db2.gz ZIGQZJMZNACUCO-UHFFFAOYSA-N 1 0 312.413 3.310 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCOC1CCOCC1 ZINC001340134611 1095878885 /nfs/dbraw/zinc/87/88/85/1095878885.db2.gz WWSAYRJYFZXSAD-HIFRSBDPSA-N 1 0 305.418 3.034 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1O ZINC001119445557 1096202391 /nfs/dbraw/zinc/20/23/91/1096202391.db2.gz NJGUJSFOISWYOO-UHFFFAOYSA-N 1 0 315.413 3.226 20 10 DGCDRO C[C@@H]1C[C@H]([N@@H+]2CCc3cccc(O)c3C2)CN1Cc1ccccc1 ZINC001171760227 1096964247 /nfs/dbraw/zinc/96/42/47/1096964247.db2.gz SHMHSXMWYXAXTN-APWZRJJASA-N 1 0 322.452 3.413 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(O)cc2)C1 ZINC001204096780 1097209203 /nfs/dbraw/zinc/20/92/03/1097209203.db2.gz KKIVXRXSFYXKTG-UHFFFAOYSA-N 1 0 322.408 3.451 20 10 DGCDRO CC(C)OC(=O)CC[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001172762726 1097233826 /nfs/dbraw/zinc/23/38/26/1097233826.db2.gz NYFOSMLJNOWJMB-OAHLLOKOSA-N 1 0 306.450 3.305 20 10 DGCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccccc1O)CC2 ZINC001172899566 1097267799 /nfs/dbraw/zinc/26/77/99/1097267799.db2.gz OEYCAPRONPVWKS-INIZCTEOSA-N 1 0 312.369 3.338 20 10 DGCDRO CC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1COC1 ZINC001231469326 1097755139 /nfs/dbraw/zinc/75/51/39/1097755139.db2.gz ABKHFYIOJFQYPT-UHFFFAOYSA-N 1 0 313.397 3.192 20 10 DGCDRO COc1ccc(Br)c(C[N@H+](C)CC2CCC2)c1O ZINC001231554495 1097778941 /nfs/dbraw/zinc/77/89/41/1097778941.db2.gz VJWSDCQLLAWWDX-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001231590643 1097784994 /nfs/dbraw/zinc/78/49/94/1097784994.db2.gz CSNJECPIXMXEJO-DOMZBBRYSA-N 1 0 317.351 3.226 20 10 DGCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590380 1097785333 /nfs/dbraw/zinc/78/53/33/1097785333.db2.gz XCRQQSFMEONXHW-HIFRSBDPSA-N 1 0 313.397 3.176 20 10 DGCDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231589592 1097785356 /nfs/dbraw/zinc/78/53/56/1097785356.db2.gz MCLZBNBTKRTEMQ-GLJUWKHASA-N 1 0 311.381 3.071 20 10 DGCDRO CCCc1noc([C@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC001231594209 1097788431 /nfs/dbraw/zinc/78/84/31/1097788431.db2.gz XZJKJTGCTHIWJX-HNNXBMFYSA-N 1 0 315.417 3.416 20 10 DGCDRO COc1cc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)c(O)cc1O ZINC001231638887 1097797988 /nfs/dbraw/zinc/79/79/88/1097797988.db2.gz IFWPULCQKKAHEK-UHFFFAOYSA-N 1 0 313.397 3.400 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCN(c3cccc(C)n3)CC2)c(O)c1 ZINC001231842804 1097860961 /nfs/dbraw/zinc/86/09/61/1097860961.db2.gz PXKGVQAWPJYOAK-UHFFFAOYSA-N 1 0 311.429 3.035 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@H+](C)Cc1cccc(O)c1 ZINC001231849285 1097864220 /nfs/dbraw/zinc/86/42/20/1097864220.db2.gz QWKOMPLSZMAMCT-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO COc1cc(N(C)C)ccc1CN1CC(Oc2ccccc2)C1 ZINC001231853656 1097865234 /nfs/dbraw/zinc/86/52/34/1097865234.db2.gz NQBIMKJHHXTJQX-UHFFFAOYSA-N 1 0 312.413 3.024 20 10 DGCDRO O=C1CCC[C@@]2(CCC[N@@H+](Cc3ccc4ccccc4c3O)C2)N1 ZINC001231880548 1097877335 /nfs/dbraw/zinc/87/73/35/1097877335.db2.gz ORBIXGQZVOUCHR-FQEVSTJZSA-N 1 0 324.424 3.180 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231882744 1097878454 /nfs/dbraw/zinc/87/84/54/1097878454.db2.gz UJVIVRJDCNTASP-KRWDZBQOSA-N 1 0 313.397 3.463 20 10 DGCDRO Clc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)ccc1N1CCOCC1 ZINC001232199106 1097963049 /nfs/dbraw/zinc/96/30/49/1097963049.db2.gz CUGUZLBQHWNBCH-DZGCQCFKSA-N 1 0 306.837 3.161 20 10 DGCDRO CC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232200919 1097964077 /nfs/dbraw/zinc/96/40/77/1097964077.db2.gz FNYNHBUCXDEBKU-CQSZACIVSA-N 1 0 308.853 3.409 20 10 DGCDRO COc1cc(O)c(C[N@H+](CCO)Cc2ccccc2)cc1Cl ZINC001232263909 1097986032 /nfs/dbraw/zinc/98/60/32/1097986032.db2.gz FJTMDDCUHXLBNQ-UHFFFAOYSA-N 1 0 321.804 3.049 20 10 DGCDRO Oc1cc(O)c(C[N@H+](C2CCC2)C2CCOCC2)cc1Cl ZINC001232266776 1097986773 /nfs/dbraw/zinc/98/67/73/1097986773.db2.gz YJKZAGITUHUYSX-UHFFFAOYSA-N 1 0 311.809 3.285 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1Cl ZINC001232269362 1097988209 /nfs/dbraw/zinc/98/82/09/1097988209.db2.gz XEQFADGJYPWIQF-INIZCTEOSA-N 1 0 311.809 3.057 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCCC2(C)C)c2ccccc2n1C ZINC001232402439 1098028300 /nfs/dbraw/zinc/02/83/00/1098028300.db2.gz NCRUKANLRASRSZ-UHFFFAOYSA-N 1 0 300.402 3.339 20 10 DGCDRO COC(=O)c1c(C[N@H+](C)C2CC(C)C2)c2ccccc2n1C ZINC001232402471 1098029448 /nfs/dbraw/zinc/02/94/48/1098029448.db2.gz OBKJMPYQXBYVNS-UHFFFAOYSA-N 1 0 300.402 3.195 20 10 DGCDRO COC(=O)c1c(C[NH+]2CCCCCC2)c2ccccc2n1C ZINC001232403386 1098029648 /nfs/dbraw/zinc/02/96/48/1098029648.db2.gz XEPCENZVNONVAT-UHFFFAOYSA-N 1 0 300.402 3.341 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc4ncoc4c3)CC2)cc1 ZINC001232938790 1098177654 /nfs/dbraw/zinc/17/76/54/1098177654.db2.gz HNFJIYIHGCXKPU-UHFFFAOYSA-N 1 0 323.396 3.159 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C)cc1Br ZINC001233134716 1098233641 /nfs/dbraw/zinc/23/36/41/1098233641.db2.gz CPTWODQFNCVXMJ-SECBINFHSA-N 1 0 300.196 3.148 20 10 DGCDRO CC[N@H+](Cc1cc(Br)c(OC)cc1O)C(C)C ZINC001233135124 1098235494 /nfs/dbraw/zinc/23/54/94/1098235494.db2.gz MBDZULHKICTVPO-UHFFFAOYSA-N 1 0 302.212 3.394 20 10 DGCDRO Nc1ccc(NC(=O)Nc2ccc(Nc3[nH]cc[nH+]3)cc2)cc1 ZINC001176091291 1098247200 /nfs/dbraw/zinc/24/72/00/1098247200.db2.gz XHKACWMNMMFBFY-UHFFFAOYSA-N 1 0 308.345 3.380 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c1O ZINC001233288017 1098278082 /nfs/dbraw/zinc/27/80/82/1098278082.db2.gz RPAGEUXYSZKYRQ-MRXNPFEDSA-N 1 0 313.825 3.037 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001233451916 1098338700 /nfs/dbraw/zinc/33/87/00/1098338700.db2.gz DHEHGKFXJYHDFW-XHDPSFHLSA-N 1 0 315.335 3.412 20 10 DGCDRO OCC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453988 1098339352 /nfs/dbraw/zinc/33/93/52/1098339352.db2.gz BONHFHDCSSAKCI-NSHDSACASA-N 1 0 303.324 3.005 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001233454016 1098341797 /nfs/dbraw/zinc/34/17/97/1098341797.db2.gz CPYDRXSBXMNHOK-AWEZNQCLSA-N 1 0 314.351 3.081 20 10 DGCDRO CN(Cc1nc2ccccc2s1)Cc1cc(O)c(O)cc1O ZINC001233483221 1098345195 /nfs/dbraw/zinc/34/51/95/1098345195.db2.gz RBUYYMSRPIYNKG-UHFFFAOYSA-N 1 0 316.382 3.045 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1O ZINC001233485233 1098345661 /nfs/dbraw/zinc/34/56/61/1098345661.db2.gz NTAGJEKNJWVRRB-HNNXBMFYSA-N 1 0 313.397 3.258 20 10 DGCDRO Oc1cc(O)c(CN2CCc3ccc(Cl)cc3C2)cc1O ZINC001233482437 1098346301 /nfs/dbraw/zinc/34/63/01/1098346301.db2.gz NMXOJKVFWIAJQD-UHFFFAOYSA-N 1 0 305.761 3.015 20 10 DGCDRO C[C@@]1(O)CCCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233726704 1098416874 /nfs/dbraw/zinc/41/68/74/1098416874.db2.gz GMIGFXTXSJNDDW-CQSZACIVSA-N 1 0 319.323 3.028 20 10 DGCDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1O)CC1CCOCC1 ZINC001233728648 1098417706 /nfs/dbraw/zinc/41/77/06/1098417706.db2.gz YAMFFUVHZPEPQG-UHFFFAOYSA-N 1 0 319.323 3.149 20 10 DGCDRO CCC1(O)CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233760638 1098424120 /nfs/dbraw/zinc/42/41/20/1098424120.db2.gz JLLWTZHOIKNKCN-UHFFFAOYSA-N 1 0 319.323 3.028 20 10 DGCDRO Oc1c(C[NH+]2CC(c3cccnc3)C2)cccc1OC(F)(F)F ZINC001233761612 1098424896 /nfs/dbraw/zinc/42/48/96/1098424896.db2.gz WPTIATCQJIIOIT-UHFFFAOYSA-N 1 0 324.302 3.285 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H](C)C2CC2)cc1C ZINC001177053526 1098468790 /nfs/dbraw/zinc/46/87/90/1098468790.db2.gz 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CC(C)(C)c1cc(O)c(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC001235190430 1098867665 /nfs/dbraw/zinc/86/76/65/1098867665.db2.gz HZHQPTYRBJYVQG-OCCSQVGLSA-N 1 0 322.880 3.384 20 10 DGCDRO Cc1cc(CN2C[C@H]3CCC[NH2+][C@H]3C2)c(C)n1-c1ccccc1 ZINC001235209395 1098878317 /nfs/dbraw/zinc/87/83/17/1098878317.db2.gz NVDFYFFAOTUTRR-XLIONFOSSA-N 1 0 309.457 3.278 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(-c3ccccn3)n[nH]2)c1 ZINC001179049146 1098999746 /nfs/dbraw/zinc/99/97/46/1098999746.db2.gz DVDRTBCIGFZLQB-LBPRGKRZSA-N 1 0 324.384 3.037 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206371695 1099031440 /nfs/dbraw/zinc/03/14/40/1099031440.db2.gz UUKIUVOVNCUSOI-OAHLLOKOSA-N 1 0 300.805 3.007 20 10 DGCDRO Nc1ccc(C[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC001235433318 1099032063 /nfs/dbraw/zinc/03/20/63/1099032063.db2.gz SSHACVZMJUFBHV-UHFFFAOYSA-N 1 0 324.453 3.201 20 10 DGCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCCCC2)cc1 ZINC001235456022 1099045803 /nfs/dbraw/zinc/04/58/03/1099045803.db2.gz 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DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCNC2(CC2)C1 ZINC001235934829 1099268510 /nfs/dbraw/zinc/26/85/10/1099268510.db2.gz DINFKJNWGPOFJF-UHFFFAOYSA-N 1 0 312.388 3.136 20 10 DGCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(Cl)cc1O ZINC001180137382 1099311445 /nfs/dbraw/zinc/31/14/45/1099311445.db2.gz XVLKYBZBGHEABA-CQSZACIVSA-N 1 0 305.809 3.289 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)Cc2cccc(C(N)=O)c2)cc1Cl ZINC001180175798 1099325683 /nfs/dbraw/zinc/32/56/83/1099325683.db2.gz XVJCQLSSWLRDDR-UHFFFAOYSA-N 1 0 318.804 3.085 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCc3cc(N)ccc3C2)cc1Cl ZINC001236105561 1099394925 /nfs/dbraw/zinc/39/49/25/1099394925.db2.gz KMOUZLJOEIDFHH-UHFFFAOYSA-N 1 0 302.805 3.495 20 10 DGCDRO CCc1ccc(CN2CC[NH2+]C[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001236127315 1099415529 /nfs/dbraw/zinc/41/55/29/1099415529.db2.gz CNIGHNIDVQJMTQ-SFHVURJKSA-N 1 0 314.404 3.240 20 10 DGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1c(O)ccc2ccc(OC)cc21 ZINC001236132710 1099420536 /nfs/dbraw/zinc/42/05/36/1099420536.db2.gz 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CCN1CCC([N@H+](C)Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237138422 1099989774 /nfs/dbraw/zinc/98/97/74/1099989774.db2.gz CONCCHMHOPAUMN-UHFFFAOYSA-N 1 0 316.367 3.327 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237411231 1100115890 /nfs/dbraw/zinc/11/58/90/1100115890.db2.gz DQMVBULQVXYPLW-QMTHXVAHSA-N 1 0 315.244 3.273 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CC2(CN(Cc3ccccc3)C2)C1 ZINC001237487081 1100138867 /nfs/dbraw/zinc/13/88/67/1100138867.db2.gz GMQIHLCHWYUJSP-UHFFFAOYSA-N 1 0 308.425 3.018 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C ZINC001237487675 1100141579 /nfs/dbraw/zinc/14/15/79/1100141579.db2.gz KCUFEGNDULYUJR-UHFFFAOYSA-N 1 0 322.449 3.436 20 10 DGCDRO Cc1cccc(O)c1CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC001237489530 1100141759 /nfs/dbraw/zinc/14/17/59/1100141759.db2.gz IPLGKKUXUZJJLC-UHFFFAOYSA-N 1 0 302.462 3.397 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001237493616 1100143040 /nfs/dbraw/zinc/14/30/40/1100143040.db2.gz 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CC[C@H](C)COC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001194829824 1101018068 /nfs/dbraw/zinc/01/80/68/1101018068.db2.gz HRGAPVGPRQFZFE-AWEZNQCLSA-N 1 0 320.433 3.129 20 10 DGCDRO COc1cc2c(c(OC)c1)N(CCC[NH+]1CCCCC1)CCC2 ZINC001195180808 1101084198 /nfs/dbraw/zinc/08/41/98/1101084198.db2.gz ULQXMBQXQBUKKB-UHFFFAOYSA-N 1 0 318.461 3.332 20 10 DGCDRO Cn1ccc2c1cccc2-c1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001241822188 1101729061 /nfs/dbraw/zinc/72/90/61/1101729061.db2.gz SLADQPPNKCOWTN-UHFFFAOYSA-N 1 0 302.381 3.180 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)ccc1N1CCOCC1 ZINC001199412049 1102135241 /nfs/dbraw/zinc/13/52/41/1102135241.db2.gz FRJIDCJXOCEIBY-SCAQPMJSSA-N 1 0 318.436 3.331 20 10 DGCDRO CCC[C@H](C)C[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001201553983 1102638587 /nfs/dbraw/zinc/63/85/87/1102638587.db2.gz RPLCYAOZCVZXEJ-KRWDZBQOSA-N 1 0 320.477 3.270 20 10 DGCDRO CCOc1ccc(N2CCN(CCC(F)(F)F)CC2)cc1 ZINC001202356433 1102956717 /nfs/dbraw/zinc/95/67/17/1102956717.db2.gz 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ZINC001328107058 1103848506 /nfs/dbraw/zinc/84/85/06/1103848506.db2.gz HTFKOHGHUYWMOR-WAYWQWQTSA-N 1 0 314.433 3.105 20 10 DGCDRO CCOC1CC(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001328701684 1104025846 /nfs/dbraw/zinc/02/58/46/1104025846.db2.gz DNUSFEXGRXSSQI-UHFFFAOYSA-N 1 0 312.404 3.326 20 10 DGCDRO CC[NH+](CC)C1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC001328990791 1104116393 /nfs/dbraw/zinc/11/63/93/1104116393.db2.gz WENWENJBMZIOKQ-UHFFFAOYSA-N 1 0 302.462 3.187 20 10 DGCDRO C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC001329023674 1104127490 /nfs/dbraw/zinc/12/74/90/1104127490.db2.gz MQVXFSLVLLVMOV-GJZGRUSLSA-N 1 0 307.457 3.465 20 10 DGCDRO CCCC[C@H](O)CNc1ccccc1OCC1CC[NH2+]CC1 ZINC001245970408 1104342754 /nfs/dbraw/zinc/34/27/54/1104342754.db2.gz HJKQSOVRADTKIC-INIZCTEOSA-N 1 0 306.450 3.028 20 10 DGCDRO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cccc1O ZINC001274301220 1104347153 /nfs/dbraw/zinc/34/71/53/1104347153.db2.gz NBIXNTPJEHJSKX-IAGOWNOFSA-N 1 0 316.445 3.066 20 10 DGCDRO c1ccc(C[C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CC[NH2+]2)cc1 ZINC001246199216 1104434345 /nfs/dbraw/zinc/43/43/45/1104434345.db2.gz KRYLOTLXBVNDDT-WOJBJXKFSA-N 1 0 322.452 3.074 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CC(C)(C)[NH3+])n2)cc1 ZINC001247619684 1104939186 /nfs/dbraw/zinc/93/91/86/1104939186.db2.gz SVPYZPFLQYSPQZ-UHFFFAOYSA-N 1 0 310.401 3.424 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]3(C)CC[NH2+]C3)n2)cc1 ZINC001247778278 1104980238 /nfs/dbraw/zinc/98/02/38/1104980238.db2.gz KZFDYDHWSPPYHG-IBGZPJMESA-N 1 0 322.412 3.395 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C34CC(C3)C[NH2+]4)n2)cc1 ZINC001247898633 1105009965 /nfs/dbraw/zinc/00/99/65/1105009965.db2.gz WHWZWLQAGMWGKL-UHFFFAOYSA-N 1 0 320.396 3.353 20 10 DGCDRO Cc1ccc(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c(O)c1 ZINC001276169007 1105036065 /nfs/dbraw/zinc/03/60/65/1105036065.db2.gz MLBPOKSCCIRROA-MAUKXSAKSA-N 1 0 300.446 3.149 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cc(Cl)cn3ccnc13)CC2 ZINC001248452045 1105114665 /nfs/dbraw/zinc/11/46/65/1105114665.db2.gz VQRRGGASHGDNOW-UHFFFAOYSA-N 1 0 313.788 3.252 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@]3(C)CC[NH2+]3)n2)cc1 ZINC001248726106 1105152725 /nfs/dbraw/zinc/15/27/25/1105152725.db2.gz ZHJBZFDRKDFTIT-SFHVURJKSA-N 1 0 308.385 3.353 20 10 DGCDRO C[N@@H+]1CCCN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CC1 ZINC001248879811 1105184586 /nfs/dbraw/zinc/18/45/86/1105184586.db2.gz DHPRVHCAIUVIPU-UHFFFAOYSA-N 1 0 310.869 3.481 20 10 DGCDRO CC(C)(C)c1cc(O)c(C[NH+]2CC3(CC(O)C3)C2)cc1Cl ZINC001248881071 1105185888 /nfs/dbraw/zinc/18/58/88/1105185888.db2.gz PRRWUYWWWHMZNP-UHFFFAOYSA-N 1 0 309.837 3.300 20 10 DGCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c(O)c1 ZINC001249208591 1105247512 /nfs/dbraw/zinc/24/75/12/1105247512.db2.gz XPIKPQRQVXYZGB-KRWDZBQOSA-N 1 0 311.381 3.055 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[C@@H]1O ZINC001249223835 1105249452 /nfs/dbraw/zinc/24/94/52/1105249452.db2.gz OLSZXCCUACEHGO-BBRMVZONSA-N 1 0 317.429 3.169 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCC[C@@H]1O ZINC001249224319 1105249478 /nfs/dbraw/zinc/24/94/78/1105249478.db2.gz XNMZSNVRWCGBNN-BBRMVZONSA-N 1 0 317.429 3.169 20 10 DGCDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249230525 1105251423 /nfs/dbraw/zinc/25/14/23/1105251423.db2.gz KBLWRFQDBHRLOG-UONOGXRCSA-N 1 0 316.445 3.101 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3C[C@H]4[C@H](CF)[C@H]4C3)ccc2O1 ZINC001249251934 1105256839 /nfs/dbraw/zinc/25/68/39/1105256839.db2.gz CDEUUWNFCRQVQC-QKDCVEJESA-N 1 0 303.377 3.224 20 10 DGCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(C)c(Br)cc1O ZINC001250120975 1105446553 /nfs/dbraw/zinc/44/65/53/1105446553.db2.gz WYOXNCRRCFAVFU-LBPRGKRZSA-N 1 0 314.223 3.074 20 10 DGCDRO CCOc1nccc(CN(C)Cc2ccccc2O)c1Cl ZINC001250384985 1105507072 /nfs/dbraw/zinc/50/70/72/1105507072.db2.gz DYUWZHHKLJESIN-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@@H](O)C(F)(F)F ZINC001251001298 1105618641 /nfs/dbraw/zinc/61/86/41/1105618641.db2.gz GSBNRNUIRGJYTM-RISCZKNCSA-N 1 0 317.351 3.145 20 10 DGCDRO Oc1cc2ccccc2cc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC001251247810 1105643976 /nfs/dbraw/zinc/64/39/76/1105643976.db2.gz QKSMXQJOSRSNON-GOSISDBHSA-N 1 0 323.392 3.075 20 10 DGCDRO Cc1ccc(CC[NH2+]Cc2cc(Br)ccc2O)o1 ZINC000689761398 1105950179 /nfs/dbraw/zinc/95/01/79/1105950179.db2.gz AEBUBTQGRDAMNZ-UHFFFAOYSA-N 1 0 310.191 3.388 20 10 DGCDRO O=C1C[C@@H]2CC([NH2+]Cc3ccc(Br)cc3O)C[C@H]2C1 ZINC001254934899 1106156804 /nfs/dbraw/zinc/15/68/04/1106156804.db2.gz LUSWDMPPTUQTQP-QWRGUYRKSA-N 1 0 324.218 3.002 20 10 DGCDRO COc1ccc(N2CC[NH+](C3CCC(OC)CC3)CC2)c(C)c1 ZINC001255464631 1106254615 /nfs/dbraw/zinc/25/46/15/1106254615.db2.gz LBAHAKZZXSJYFR-UHFFFAOYSA-N 1 0 318.461 3.083 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1CCCN(C)C1 ZINC001255479494 1106257820 /nfs/dbraw/zinc/25/78/20/1106257820.db2.gz IZPYTEHTBCINJC-RDTXWAMCSA-N 1 0 302.462 3.316 20 10 DGCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1O ZINC001255690133 1106295424 /nfs/dbraw/zinc/29/54/24/1106295424.db2.gz RCTWMLYJBFMPRR-WDEREUQCSA-N 1 0 319.323 3.057 20 10 DGCDRO CCC[C@@H](C)[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001257323363 1106568213 /nfs/dbraw/zinc/56/82/13/1106568213.db2.gz AMKHLIBVRPKJFB-MRXNPFEDSA-N 1 0 306.450 3.022 20 10 DGCDRO CCCCOC(=O)CC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001257386459 1106578940 /nfs/dbraw/zinc/57/89/40/1106578940.db2.gz SDNHRVQSDKDNHU-OAHLLOKOSA-N 1 0 306.450 3.354 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2COc3ccc(Cl)cc3C2)c1O ZINC001257953042 1106649724 /nfs/dbraw/zinc/64/97/24/1106649724.db2.gz MKCCREPCZBAISI-HNNXBMFYSA-N 1 0 303.789 3.447 20 10 DGCDRO CCOC(=O)CC1CCC([N@H+](C)Cc2ccccc2O)CC1 ZINC001258033839 1106662557 /nfs/dbraw/zinc/66/25/57/1106662557.db2.gz KIUKZFXSSBNXJX-UHFFFAOYSA-N 1 0 305.418 3.336 20 10 DGCDRO CC1(C)COC2(CCC([NH2+]Cc3ccccc3O)CC2)OC1 ZINC001258518724 1106795236 /nfs/dbraw/zinc/79/52/36/1106795236.db2.gz YMFLKRKMGSJWET-UHFFFAOYSA-N 1 0 305.418 3.194 20 10 DGCDRO O=C1CC[C@H]([NH2+]Cc2ccccc2O)CCN1Cc1ccccc1 ZINC001258569330 1106827428 /nfs/dbraw/zinc/82/74/28/1106827428.db2.gz UBHDAFLWYDPJSK-SFHVURJKSA-N 1 0 324.424 3.063 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H]3CCC(C)(C)C3)CC2)c(OC)c1 ZINC001258608419 1106848821 /nfs/dbraw/zinc/84/88/21/1106848821.db2.gz JUAODSPGDDEXIX-OAHLLOKOSA-N 1 0 318.461 3.405 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC2(C)C)cc1C ZINC001320388389 1106989446 /nfs/dbraw/zinc/98/94/46/1106989446.db2.gz VFRICPZQXZMSJR-GOEBONIOSA-N 1 0 318.461 3.034 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC001320390564 1106991152 /nfs/dbraw/zinc/99/11/52/1106991152.db2.gz ZQURUMQSHIPPPZ-UHFFFAOYSA-N 1 0 300.446 3.336 20 10 DGCDRO COC(=O)N1CCC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001320410484 1106998982 /nfs/dbraw/zinc/99/89/82/1106998982.db2.gz BXNQLJGVPOFDNN-RDBSUJKOSA-N 1 0 318.417 3.069 20 10 DGCDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321185252 1107277323 /nfs/dbraw/zinc/27/73/23/1107277323.db2.gz PZWRHAFKVUSIHC-DOTOQJQBSA-N 1 0 319.468 3.103 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]CCCC(C)(C)C)cc2F)CC1 ZINC001322012425 1107484211 /nfs/dbraw/zinc/48/42/11/1107484211.db2.gz LJNJRSNNJZXEJR-UHFFFAOYSA-N 1 0 321.484 3.493 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1ccc(C)cc1O ZINC001322454778 1107678142 /nfs/dbraw/zinc/67/81/42/1107678142.db2.gz FKJGBCQFCXLRLC-WMZOPIPTSA-N 1 0 321.461 3.167 20 10 DGCDRO COc1ccc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c(O)c1OC ZINC001262357187 1107686567 /nfs/dbraw/zinc/68/65/67/1107686567.db2.gz BSCHMLKRCRXYGM-QWHCGFSZSA-N 1 0 311.447 3.125 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cnn(CCF)c1 ZINC001262484990 1107715953 /nfs/dbraw/zinc/71/59/53/1107715953.db2.gz PFROJXDSYHKADT-JSGCOSHPSA-N 1 0 303.381 3.205 20 10 DGCDRO Cc1ccc(CN2CCC[N@H+](Cc3ccc(N)cc3)CC2)cc1 ZINC001262486932 1107718086 /nfs/dbraw/zinc/71/80/86/1107718086.db2.gz FRAVFUQDLAYBAR-UHFFFAOYSA-N 1 0 309.457 3.285 20 10 DGCDRO Nc1ccc(C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC001262487941 1107718884 /nfs/dbraw/zinc/71/88/84/1107718884.db2.gz KPFBJQLHOODGKS-HNNXBMFYSA-N 1 0 310.319 3.111 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)ccc1OC ZINC001322714450 1107741997 /nfs/dbraw/zinc/74/19/97/1107741997.db2.gz QSWHLIHMPVJDCM-MSOLQXFVSA-N 1 0 320.477 3.194 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC001318223419 1107905814 /nfs/dbraw/zinc/90/58/14/1107905814.db2.gz WPJZBRFRHXOECF-INIZCTEOSA-N 1 0 318.461 3.065 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1O ZINC001323472634 1107984072 /nfs/dbraw/zinc/98/40/72/1107984072.db2.gz PAFRPOXHVWKMKH-LLVKDONJSA-N 1 0 321.808 3.317 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1O ZINC001323472636 1107984405 /nfs/dbraw/zinc/98/44/05/1107984405.db2.gz PAFRPOXHVWKMKH-NSHDSACASA-N 1 0 321.808 3.317 20 10 DGCDRO CC[C@H](C)C(=O)NC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318503120 1108064034 /nfs/dbraw/zinc/06/40/34/1108064034.db2.gz OHJNFAIXIUSEJY-BBRMVZONSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC2CCC2)cc1C ZINC001319174576 1108349626 /nfs/dbraw/zinc/34/96/26/1108349626.db2.gz SNIQYEQNLITORJ-CQSZACIVSA-N 1 0 318.461 3.036 20 10 DGCDRO OCC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC001319310544 1108410727 /nfs/dbraw/zinc/41/07/27/1108410727.db2.gz IPWTYASCQXUXTO-UHFFFAOYSA-N 1 0 302.462 3.414 20 10 DGCDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001324745710 1108449357 /nfs/dbraw/zinc/44/93/57/1108449357.db2.gz FAKPBHBRIYQZLQ-VQIMIIECSA-N 1 0 301.478 3.201 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC001325022434 1108558697 /nfs/dbraw/zinc/55/86/97/1108558697.db2.gz FDWVVIRQJVSIFL-WOJBJXKFSA-N 1 0 312.457 3.430 20 10 DGCDRO c1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001319696398 1108598207 /nfs/dbraw/zinc/59/82/07/1108598207.db2.gz RVVMLFAULAQQLD-QGZVFWFLSA-N 1 0 310.445 3.390 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1c(C)c(C)n[nH]c1=O ZINC001325356450 1108630752 /nfs/dbraw/zinc/63/07/52/1108630752.db2.gz KVGMQPZERFDJCO-HZMBPMFUSA-N 1 0 313.401 3.151 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1O ZINC001319943803 1108706710 /nfs/dbraw/zinc/70/67/10/1108706710.db2.gz FCMNXNPPASJUEI-GFCCVEGCSA-N 1 0 309.406 3.001 20 10 DGCDRO CC[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001284745347 1109853832 /nfs/dbraw/zinc/85/38/32/1109853832.db2.gz WXXFSKKIZVPCSY-IGEOTXOUSA-N 1 0 318.461 3.129 20 10 DGCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001304090078 1111165772 /nfs/dbraw/zinc/16/57/72/1111165772.db2.gz XILKWSJLWZRTEL-ZIAGYGMSSA-N 1 0 312.413 3.034 20 10 DGCDRO Cc1cc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)ccc1N(C)C ZINC001307827369 1111343566 /nfs/dbraw/zinc/34/35/66/1111343566.db2.gz ISVGCDGMFMJCHW-OAHLLOKOSA-N 1 0 320.477 3.471 20 10 DGCDRO CCC(C)(C)[NH+]1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001307885781 1111351139 /nfs/dbraw/zinc/35/11/39/1111351139.db2.gz HEQMEPNOVOZQBZ-UHFFFAOYSA-N 1 0 303.494 3.367 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1F ZINC001308220376 1111399547 /nfs/dbraw/zinc/39/95/47/1111399547.db2.gz UKSLMCNXPWJBFT-LJQANCHMSA-N 1 0 314.404 3.249 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)cc1 ZINC001308263310 1111407585 /nfs/dbraw/zinc/40/75/85/1111407585.db2.gz OLVSWUAHGCUNFR-LJQANCHMSA-N 1 0 316.420 3.495 20 10 DGCDRO CC[NH+](CC)CC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001308606362 1111450018 /nfs/dbraw/zinc/45/00/18/1111450018.db2.gz VJPZSFXMTKTUHG-UHFFFAOYSA-N 1 0 312.404 3.224 20 10 DGCDRO Cc1ccc(NC(=O)CN(C)Cc2cc(F)c(F)cc2O)cc1 ZINC001308602030 1111450115 /nfs/dbraw/zinc/45/01/15/1111450115.db2.gz QRFNTXMWCOGPCN-UHFFFAOYSA-N 1 0 320.339 3.049 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001308647277 1111455801 /nfs/dbraw/zinc/45/58/01/1111455801.db2.gz HTYVVRFRHNKJGO-GFCCVEGCSA-N 1 0 318.392 3.336 20 10 DGCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1cccnc1 ZINC001308785091 1111474618 /nfs/dbraw/zinc/47/46/18/1111474618.db2.gz PLSPTALOMDRTQB-MRXNPFEDSA-N 1 0 320.820 3.290 20 10 DGCDRO COCc1csc(C[NH2+]Cc2c(C)cc(OC)cc2O)c1 ZINC001308866670 1111486270 /nfs/dbraw/zinc/48/62/70/1111486270.db2.gz GUSKTRLSIWPGSP-UHFFFAOYSA-N 1 0 307.415 3.207 20 10 DGCDRO CC(C)O[C@@]1(C[NH2+]Cc2cc(C(C)C)ccc2O)CCOC1 ZINC001308951462 1111498425 /nfs/dbraw/zinc/49/84/25/1111498425.db2.gz SJZHDSLPMRKKHH-GOSISDBHSA-N 1 0 307.434 3.189 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCCc2nc3ccccc3n2C)cc1 ZINC000076901214 185052870 /nfs/dbraw/zinc/05/28/70/185052870.db2.gz QNEIWJBFHMAXIL-UHFFFAOYSA-N 1 0 322.456 3.362 20 10 DGCDRO c1nc2ccccc2n1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000079249367 185162275 /nfs/dbraw/zinc/16/22/75/185162275.db2.gz VOWSWEOCWDGDDJ-UHFFFAOYSA-N 1 0 307.397 3.151 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccccc1O ZINC000183312582 529671928 /nfs/dbraw/zinc/67/19/28/529671928.db2.gz PTHJQGAVALXIJF-IRXDYDNUSA-N 1 0 310.397 3.238 20 10 DGCDRO C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000179571772 432062828 /nfs/dbraw/zinc/06/28/28/432062828.db2.gz XIZXFUCNPGUVHG-CQSZACIVSA-N 1 0 322.424 3.230 20 10 DGCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1O ZINC000179570290 432063175 /nfs/dbraw/zinc/06/31/75/432063175.db2.gz WNSVMLGMMWJULK-UHFFFAOYSA-N 1 0 312.413 3.116 20 10 DGCDRO C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000179571758 432062608 /nfs/dbraw/zinc/06/26/08/432062608.db2.gz XIZXFUCNPGUVHG-AWEZNQCLSA-N 1 0 322.424 3.230 20 10 DGCDRO Cc1cccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)c1O ZINC000179570183 432062640 /nfs/dbraw/zinc/06/26/40/432062640.db2.gz SRAOQMPJJDQFIL-UHFFFAOYSA-N 1 0 312.413 3.388 20 10 DGCDRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccccc1O ZINC000179585137 432063547 /nfs/dbraw/zinc/06/35/47/432063547.db2.gz PISXLGGYPIOIFG-ZSEKCTLFSA-N 1 0 303.427 3.323 20 10 DGCDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2O)C1)CC(F)(F)F ZINC000179582410 432063581 /nfs/dbraw/zinc/06/35/81/432063581.db2.gz YXKPLTPXCBBZHD-CYBMUJFWSA-N 1 0 316.367 3.098 20 10 DGCDRO COC(=O)c1cc(C[N@H+](C)Cc2cccc(C)c2O)oc1C ZINC000179633855 432065542 /nfs/dbraw/zinc/06/55/42/432065542.db2.gz YQQPDIMMNWJDLY-UHFFFAOYSA-N 1 0 303.358 3.021 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000179703639 432068568 /nfs/dbraw/zinc/06/85/68/432068568.db2.gz NZIGCYKSKVNMCJ-UHFFFAOYSA-N 1 0 320.433 3.190 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000091958680 193132112 /nfs/dbraw/zinc/13/21/12/193132112.db2.gz QQEDAJIBORUFLU-GJZGRUSLSA-N 1 0 317.385 3.082 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000091960314 193132959 /nfs/dbraw/zinc/13/29/59/193132959.db2.gz QQROXWRHXDPXKM-GDBMZVCRSA-N 1 0 315.417 3.071 20 10 DGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OC)c2O)C12CCC2 ZINC000092040980 193146248 /nfs/dbraw/zinc/14/62/48/193146248.db2.gz UEIISLANRJOOAC-JKSUJKDBSA-N 1 0 305.418 3.180 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000268850628 432144550 /nfs/dbraw/zinc/14/45/50/432144550.db2.gz PMZQNXPOMUJZMW-PNHOKKKMSA-N 1 0 310.441 3.452 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c(O)c1 ZINC000268981702 432148695 /nfs/dbraw/zinc/14/86/95/432148695.db2.gz QWTABCGXQQLVNJ-OAHLLOKOSA-N 1 0 305.418 3.372 20 10 DGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000268945008 432148736 /nfs/dbraw/zinc/14/87/36/432148736.db2.gz BBDYZGCQNUIEBW-CXAGYDPISA-N 1 0 304.459 3.372 20 10 DGCDRO CC[C@H]([NH2+]CCn1ccnc1)c1cc(Br)ccc1O ZINC000041119162 183166730 /nfs/dbraw/zinc/16/67/30/183166730.db2.gz RRNLDRJUTVIHND-ZDUSSCGKSA-N 1 0 324.222 3.092 20 10 DGCDRO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3ccccc3O)n2)cc1 ZINC000183492606 533215870 /nfs/dbraw/zinc/21/58/70/533215870.db2.gz ZAHYCOQFWBNNPC-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000185314079 533392761 /nfs/dbraw/zinc/39/27/61/533392761.db2.gz IRQFFVCMMNINEF-LLVKDONJSA-N 1 0 312.385 3.049 20 10 DGCDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000272659796 130051667 /nfs/dbraw/zinc/05/16/67/130051667.db2.gz RFZCSXFBFXGTMC-UONOGXRCSA-N 1 0 320.433 3.127 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1O ZINC000272724349 130058207 /nfs/dbraw/zinc/05/82/07/130058207.db2.gz FVXRIPCZQNYCPH-UHFFFAOYSA-N 1 0 323.742 3.243 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272742558 130059796 /nfs/dbraw/zinc/05/97/96/130059796.db2.gz BFSUCUKWTQXJHO-SJLPKXTDSA-N 1 0 315.505 3.495 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@@H]1CCOC1 ZINC000273362085 130111309 /nfs/dbraw/zinc/11/13/09/130111309.db2.gz ARPSNHRIPNTBGI-OUAUKWLOSA-N 1 0 314.223 3.230 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1O ZINC000273364751 130112520 /nfs/dbraw/zinc/11/25/20/130112520.db2.gz DTRIFRGBBUNJSX-GXTWGEPZSA-N 1 0 321.367 3.172 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c(O)c1C ZINC000273425697 130120727 /nfs/dbraw/zinc/12/07/27/130120727.db2.gz TZHSJEQHBZFMME-ZDUSSCGKSA-N 1 0 313.401 3.350 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273449165 130123614 /nfs/dbraw/zinc/12/36/14/130123614.db2.gz FONMVEDPLFZMCT-CZUORRHYSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c(O)c1C ZINC000273490562 130127523 /nfs/dbraw/zinc/12/75/23/130127523.db2.gz OEOKPXCUMVNUBG-HOTGVXAUSA-N 1 0 311.429 3.334 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c(O)c1C ZINC000273488127 130128031 /nfs/dbraw/zinc/12/80/31/130128031.db2.gz NRBHQSBHDFAASF-GJZGRUSLSA-N 1 0 305.418 3.345 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c(O)c1C ZINC000273490556 130128523 /nfs/dbraw/zinc/12/85/23/130128523.db2.gz OEOKPXCUMVNUBG-CVEARBPZSA-N 1 0 311.429 3.334 20 10 DGCDRO Cc1noc(CCC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000273519233 130132101 /nfs/dbraw/zinc/13/21/01/130132101.db2.gz TXNGISXBTTWDPE-GFCCVEGCSA-N 1 0 315.417 3.246 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1O ZINC000273533087 130133606 /nfs/dbraw/zinc/13/36/06/130133606.db2.gz WSTCRAXBSGXLMK-AAEUAGOBSA-N 1 0 311.809 3.382 20 10 DGCDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273545500 130134796 /nfs/dbraw/zinc/13/47/96/130134796.db2.gz ZHSJGCKUEKWUSO-QWRGUYRKSA-N 1 0 324.222 3.091 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2ccc(Cl)cc2)c1 ZINC000273548798 130135380 /nfs/dbraw/zinc/13/53/80/130135380.db2.gz ZXICVYUDXANHBG-BDJLRTHQSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@@H]([NH2+]CCOCC1CC1)c1cc(Br)ccc1O ZINC000273569649 130138865 /nfs/dbraw/zinc/13/88/65/130138865.db2.gz KKYIQJRUOCATFG-SNVBAGLBSA-N 1 0 314.223 3.232 20 10 DGCDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273596457 130142319 /nfs/dbraw/zinc/14/23/19/130142319.db2.gz QVLUVGGHOCANBF-GWCFXTLKSA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@H]([NH2+]CCc1ccncc1)c1ccc(Br)cc1O ZINC000273605138 130143642 /nfs/dbraw/zinc/14/36/42/130143642.db2.gz TVUWZBRRCJOLFQ-NSHDSACASA-N 1 0 321.218 3.443 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)[C@]12CCCO2 ZINC000274274088 130223772 /nfs/dbraw/zinc/22/37/72/130223772.db2.gz XDURTXNIISQXKK-BVPBIZIASA-N 1 0 305.418 3.078 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccccc1O ZINC000274736609 130258208 /nfs/dbraw/zinc/25/82/08/130258208.db2.gz DHTWYJNTNPULFB-NVXWUHKLSA-N 1 0 303.377 3.176 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccccc1O ZINC000274934488 130274549 /nfs/dbraw/zinc/27/45/49/130274549.db2.gz RPLAWHRNYFZNHK-HUUCEWRRSA-N 1 0 307.340 3.445 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)CCO)c1O ZINC000275346224 130307787 /nfs/dbraw/zinc/30/77/87/130307787.db2.gz PSMOSFVAZFJOGW-MWLCHTKSSA-N 1 0 316.239 3.132 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2nccn2C)c1O ZINC000275376081 130309999 /nfs/dbraw/zinc/30/99/99/130309999.db2.gz WSFXMNMBTXFYGP-JTQLQIEISA-N 1 0 324.222 3.047 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285641532 131188829 /nfs/dbraw/zinc/18/88/29/131188829.db2.gz KZPFKXFEVUPGDS-DXCKQFNASA-N 1 0 304.434 3.045 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)CCOCc2ccccc2)c1O ZINC000288344616 131321387 /nfs/dbraw/zinc/32/13/87/131321387.db2.gz BSMQWICGDPXOIQ-OAHLLOKOSA-N 1 0 315.413 3.486 20 10 DGCDRO Cc1ccncc1CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000289035925 131353235 /nfs/dbraw/zinc/35/32/35/131353235.db2.gz AGWCLOULXVQDPU-UHFFFAOYSA-N 1 0 301.409 3.318 20 10 DGCDRO COCCC[N@H+](Cc1ccncc1)Cc1cccc(C)c1O ZINC000289179801 131364143 /nfs/dbraw/zinc/36/41/43/131364143.db2.gz AHFXIOTXMJGICX-UHFFFAOYSA-N 1 0 300.402 3.134 20 10 DGCDRO COCCC[N@H+](Cc1ccncc1)Cc1c(O)cccc1Cl ZINC000289471704 131389061 /nfs/dbraw/zinc/38/90/61/131389061.db2.gz PNTSYWBOHUSKMA-UHFFFAOYSA-N 1 0 320.820 3.479 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc2c(c1)CCC(=O)N2 ZINC000289488371 131390963 /nfs/dbraw/zinc/39/09/63/131390963.db2.gz RHLNZBIHERFCRL-NSHDSACASA-N 1 0 314.360 3.267 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc3c(c1)OCCCO3)CC2 ZINC000297916298 132040503 /nfs/dbraw/zinc/04/05/03/132040503.db2.gz WWRQAXRTAFUEHV-HNNXBMFYSA-N 1 0 311.381 3.331 20 10 DGCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccco3)cc2F)C[C@H](C)O1 ZINC000069751726 400342050 /nfs/dbraw/zinc/34/20/50/400342050.db2.gz ZPHQINLGFLRWQS-KBPBESRZSA-N 1 0 318.392 3.322 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1C ZINC000269114339 432152661 /nfs/dbraw/zinc/15/26/61/432152661.db2.gz DANXIMKEZQPJTG-DOTOQJQBSA-N 1 0 307.459 3.148 20 10 DGCDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269029836 432150990 /nfs/dbraw/zinc/15/09/90/432150990.db2.gz RXXPZEXEFPNKIJ-HDMKZQKVSA-N 1 0 322.518 3.440 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)o2)cc1 ZINC000268997170 432151469 /nfs/dbraw/zinc/15/14/69/432151469.db2.gz OBDBBVZWHVLOGP-WMLDXEAASA-N 1 0 302.418 3.428 20 10 DGCDRO CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(N(C)C)cc1 ZINC000151154823 432225697 /nfs/dbraw/zinc/22/56/97/432225697.db2.gz SJKYLGUFWHXXIS-SFHVURJKSA-N 1 0 300.450 3.344 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000130305776 227020657 /nfs/dbraw/zinc/02/06/57/227020657.db2.gz IWKJYHXPTOYBNS-DOMZBBRYSA-N 1 0 305.805 3.300 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1C ZINC000182093742 228366772 /nfs/dbraw/zinc/36/67/72/228366772.db2.gz CLMPTIMPKHINCH-MRXNPFEDSA-N 1 0 313.445 3.197 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000183595962 228374058 /nfs/dbraw/zinc/37/40/58/228374058.db2.gz GDMVJPPDWYPCAY-QWHCGFSZSA-N 1 0 308.422 3.346 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151389868 432243450 /nfs/dbraw/zinc/24/34/50/432243450.db2.gz CTQOBBZTVCKXQU-NHYWBVRUSA-N 1 0 313.850 3.190 20 10 DGCDRO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000092486449 274146063 /nfs/dbraw/zinc/14/60/63/274146063.db2.gz BMAMFFRUWVKJKP-RDTXWAMCSA-N 1 0 313.397 3.363 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000280748947 274252220 /nfs/dbraw/zinc/25/22/20/274252220.db2.gz COHXQKIXPNGEDD-DGCLKSJQSA-N 1 0 316.367 3.286 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1O ZINC000271047572 276379749 /nfs/dbraw/zinc/37/97/49/276379749.db2.gz SGUUGZYUMDVVDZ-SFHVURJKSA-N 1 0 313.397 3.364 20 10 DGCDRO C[NH+]1CCC2(CCC[N@@H+]2Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000365266413 277038448 /nfs/dbraw/zinc/03/84/48/277038448.db2.gz WNGMBANNTGWRPS-UHFFFAOYSA-N 1 0 312.816 3.245 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1-n1ccnn1 ZINC000285597881 278357595 /nfs/dbraw/zinc/35/75/95/278357595.db2.gz JPVRZECBQBTAKU-OAHLLOKOSA-N 1 0 321.428 3.184 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1O ZINC000154066006 278366647 /nfs/dbraw/zinc/36/66/47/278366647.db2.gz IJOLHODKAIXZIT-QAPCUYQASA-N 1 0 324.424 3.407 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cc(F)ccc1O ZINC000370373364 278388484 /nfs/dbraw/zinc/38/84/84/278388484.db2.gz JBCBKOOKPVNZDC-PXAZEXFGSA-N 1 0 300.377 3.369 20 10 DGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000001461281 431229501 /nfs/dbraw/zinc/22/95/01/431229501.db2.gz QVCOJNSOQPFNPA-HNNXBMFYSA-N 1 0 313.397 3.321 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1ccncc1)C[C@@H]1CCCO1 ZINC000112600310 431287796 /nfs/dbraw/zinc/28/77/96/431287796.db2.gz MOGKVKPDJPIMBF-SFHVURJKSA-N 1 0 312.413 3.011 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000074335795 431415044 /nfs/dbraw/zinc/41/50/44/431415044.db2.gz YUTBNUZHKBKSME-UHFFFAOYSA-N 1 0 309.312 3.292 20 10 DGCDRO O=C(NC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)C1CC1 ZINC000029586560 431724102 /nfs/dbraw/zinc/72/41/02/431724102.db2.gz RKWIKADSNVNXLW-UHFFFAOYSA-N 1 0 324.424 3.036 20 10 DGCDRO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccccc1O ZINC000121143065 431748610 /nfs/dbraw/zinc/74/86/10/431748610.db2.gz CNAHBKXCZZYZET-SOUVJXGZSA-N 1 0 304.434 3.002 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649130 431849653 /nfs/dbraw/zinc/84/96/53/431849653.db2.gz CHCWYTLDXHTHGT-SNVBAGLBSA-N 1 0 315.244 3.273 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3OC)CC2)cc1 ZINC000123133574 431855932 /nfs/dbraw/zinc/85/59/32/431855932.db2.gz HRFPQSDOUPVIHA-RTBURBONSA-N 1 0 318.461 3.211 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563846 431916068 /nfs/dbraw/zinc/91/60/68/431916068.db2.gz GVUWRNONDFQPRC-MRXNPFEDSA-N 1 0 308.853 3.496 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000093691081 431917991 /nfs/dbraw/zinc/91/79/91/431917991.db2.gz BQQXBWSHEHYEHE-OAHLLOKOSA-N 1 0 304.777 3.094 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000126059888 431940810 /nfs/dbraw/zinc/94/08/10/431940810.db2.gz SAOYEQVDTKLEGC-ZWKOTPCHSA-N 1 0 311.429 3.020 20 10 DGCDRO CC1([C@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)OCCO1 ZINC000183239404 432272559 /nfs/dbraw/zinc/27/25/59/432272559.db2.gz SCZOSZFJFGQSFM-ZDUSSCGKSA-N 1 0 311.809 3.021 20 10 DGCDRO CC1([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)OCCO1 ZINC000183239381 432272839 /nfs/dbraw/zinc/27/28/39/432272839.db2.gz SCZOSZFJFGQSFM-CYBMUJFWSA-N 1 0 311.809 3.021 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccccc1O ZINC000183316669 432282412 /nfs/dbraw/zinc/28/24/12/432282412.db2.gz NZTQYPITDRMZCS-YOEHRIQHSA-N 1 0 312.413 3.138 20 10 DGCDRO C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1ccccc1O ZINC000183601420 432307608 /nfs/dbraw/zinc/30/76/08/432307608.db2.gz YBNFWXJWNHVIRD-OAHLLOKOSA-N 1 0 324.424 3.412 20 10 DGCDRO CC(=O)N1CC[N@H+](Cc2cc(C)ccc2O)CC12CCCCC2 ZINC000271299978 432370782 /nfs/dbraw/zinc/37/07/82/432370782.db2.gz TYTKAELQJKJUST-UHFFFAOYSA-N 1 0 316.445 3.068 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)c1O ZINC000271922355 432428216 /nfs/dbraw/zinc/42/82/16/432428216.db2.gz CGDVXMNWKOMSON-KPZWWZAWSA-N 1 0 319.376 3.406 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)c1O ZINC000271922363 432428377 /nfs/dbraw/zinc/42/83/77/432428377.db2.gz CGDVXMNWKOMSON-SGTLLEGYSA-N 1 0 319.376 3.406 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192922985 432429095 /nfs/dbraw/zinc/42/90/95/432429095.db2.gz XOGVJDVRIZOQAW-INIZCTEOSA-N 1 0 314.404 3.143 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000184948127 432447974 /nfs/dbraw/zinc/44/79/74/432447974.db2.gz IOQGGPVYOUMVAS-DIFFPNOSSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271512916 432411635 /nfs/dbraw/zinc/41/16/35/432411635.db2.gz NILWQJZOCOHSLV-RDTXWAMCSA-N 1 0 316.420 3.146 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccccc1O ZINC000271689738 432421914 /nfs/dbraw/zinc/42/19/14/432421914.db2.gz KAPLHWMKPCLYFM-WMZOPIPTSA-N 1 0 301.386 3.175 20 10 DGCDRO CC[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccccc1O ZINC000271687381 432422003 /nfs/dbraw/zinc/42/20/03/432422003.db2.gz JPVXTESQXJEJHI-MRXNPFEDSA-N 1 0 304.434 3.224 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)CCc2nccs2)c1O ZINC000184701420 432422144 /nfs/dbraw/zinc/42/21/44/432422144.db2.gz SSIUFISABYBYQT-UHFFFAOYSA-N 1 0 312.822 3.185 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CSC)c1O ZINC000184700057 432422834 /nfs/dbraw/zinc/42/28/34/432422834.db2.gz BMNSDGJQFSFNBQ-GFCCVEGCSA-N 1 0 301.839 3.382 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185030036 432458940 /nfs/dbraw/zinc/45/89/40/432458940.db2.gz VVXDRSYCOVVPHY-LBPRGKRZSA-N 1 0 312.841 3.345 20 10 DGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185155181 432471384 /nfs/dbraw/zinc/47/13/84/432471384.db2.gz OHRKERBNBXGFNW-ZIAGYGMSSA-N 1 0 318.461 3.226 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000185206461 432477847 /nfs/dbraw/zinc/47/78/47/432477847.db2.gz NBPPNTJKIWOKNP-BRWVUGGUSA-N 1 0 320.477 3.241 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)C[C@H](C)O ZINC000185520743 432506666 /nfs/dbraw/zinc/50/66/66/432506666.db2.gz CEUCTEXSVRSCHD-VWYCJHECSA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1O ZINC000154066116 432469782 /nfs/dbraw/zinc/46/97/82/432469782.db2.gz IJOLHODKAIXZIT-MAUKXSAKSA-N 1 0 324.424 3.407 20 10 DGCDRO CN(C)C(=O)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263655736 432562208 /nfs/dbraw/zinc/56/22/08/432562208.db2.gz FVQFRNVQRCIEQG-UHFFFAOYSA-N 1 0 312.413 3.017 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C1CC1 ZINC000186154047 432563284 /nfs/dbraw/zinc/56/32/84/432563284.db2.gz UVYCIOVJXFCQDH-ZANVPECISA-N 1 0 314.223 3.230 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000194619399 432563467 /nfs/dbraw/zinc/56/34/67/432563467.db2.gz ABTCGMNCJTUZNQ-LLVKDONJSA-N 1 0 302.330 3.160 20 10 DGCDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185677440 432522674 /nfs/dbraw/zinc/52/26/74/432522674.db2.gz NGJMYEGKWWYIHS-WDEREUQCSA-N 1 0 316.239 3.214 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000185828996 432536632 /nfs/dbraw/zinc/53/66/32/432536632.db2.gz FPMUVUNVJDYFCD-DYVFJYSZSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000186189808 432566517 /nfs/dbraw/zinc/56/65/17/432566517.db2.gz RZMZDNBRABRPQU-KZULUSFZSA-N 1 0 319.376 3.098 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000186456411 432596838 /nfs/dbraw/zinc/59/68/38/432596838.db2.gz UQKUQMBIUXFFSH-KUHUBIRLSA-N 1 0 314.429 3.182 20 10 DGCDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273467138 432602589 /nfs/dbraw/zinc/60/25/89/432602589.db2.gz DZMSIINDUJZIHX-YGRLFVJLSA-N 1 0 316.239 3.356 20 10 DGCDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273467127 432602813 /nfs/dbraw/zinc/60/28/13/432602813.db2.gz DZMSIINDUJZIHX-HZMBPMFUSA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273463302 432602900 /nfs/dbraw/zinc/60/29/00/432602900.db2.gz IMZFUKAJVSFDHZ-YJBOKZPZSA-N 1 0 324.424 3.152 20 10 DGCDRO Oc1ccc(F)cc1CN1CCSC[C@H]1c1nccs1 ZINC000186662906 432619827 /nfs/dbraw/zinc/61/98/27/432619827.db2.gz OIUKRYUSRVIOKE-LBPRGKRZSA-N 1 0 310.419 3.278 20 10 DGCDRO CCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CCOCC1 ZINC000273746472 432630569 /nfs/dbraw/zinc/63/05/69/432630569.db2.gz MURFJCFIARWSKD-UHFFFAOYSA-N 1 0 313.825 3.351 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](COC)c2ccc(C)o2)c1O ZINC000177569959 432638676 /nfs/dbraw/zinc/63/86/76/432638676.db2.gz YRKPSPVPRCFWMB-CQSZACIVSA-N 1 0 305.374 3.170 20 10 DGCDRO CC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187308737 432657133 /nfs/dbraw/zinc/65/71/33/432657133.db2.gz PKLIZWJANLRICO-PWSUYJOCSA-N 1 0 316.239 3.275 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1O ZINC000187509640 432666656 /nfs/dbraw/zinc/66/66/56/432666656.db2.gz WLXVUYAOCMHIQM-UHFFFAOYSA-N 1 0 315.413 3.308 20 10 DGCDRO C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1cc(F)ccc1O ZINC000187904711 432692181 /nfs/dbraw/zinc/69/21/81/432692181.db2.gz KZCGWMMDDDTUOU-ACJLOTCBSA-N 1 0 303.377 3.480 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCC1 ZINC000178537790 432750572 /nfs/dbraw/zinc/75/05/72/432750572.db2.gz XRNXOTYTHZIVLE-HNNXBMFYSA-N 1 0 302.462 3.174 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2OC)c1O ZINC000237234963 432782420 /nfs/dbraw/zinc/78/24/20/432782420.db2.gz WUFAEYUXGUDTKK-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO COc1ccc(O)c(CNc2ccccc2CC[NH+](C)C)c1 ZINC000275973788 432765496 /nfs/dbraw/zinc/76/54/96/432765496.db2.gz LWRVFHBLGHXAQW-UHFFFAOYSA-N 1 0 300.402 3.117 20 10 DGCDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 ZINC000161742831 432795677 /nfs/dbraw/zinc/79/56/77/432795677.db2.gz OLLUOMAVNIXZJI-CQSZACIVSA-N 1 0 304.434 3.089 20 10 DGCDRO CCNC(=O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000268303955 432862389 /nfs/dbraw/zinc/86/23/89/432862389.db2.gz OVNBSUMYBQCXIZ-HNNXBMFYSA-N 1 0 312.413 3.092 20 10 DGCDRO O=C1OCCN1c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296331886 432897328 /nfs/dbraw/zinc/89/73/28/432897328.db2.gz GKDZSHGNRAMHHU-MRXNPFEDSA-N 1 0 324.380 3.126 20 10 DGCDRO C[C@H](CO)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296377252 432902123 /nfs/dbraw/zinc/90/21/23/432902123.db2.gz KFCYYAWHDUHFHN-AWEZNQCLSA-N 1 0 304.459 3.103 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccc(C)cc2)c1O ZINC000278806299 432902999 /nfs/dbraw/zinc/90/29/99/432902999.db2.gz YFQZQEVZRTWXID-HNNXBMFYSA-N 1 0 321.804 3.186 20 10 DGCDRO C[C@@H](c1cc(F)ccc1O)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296473755 432911656 /nfs/dbraw/zinc/91/16/56/432911656.db2.gz NWKCNZQLWZXDSY-STQMWFEESA-N 1 0 322.424 3.206 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(C)C ZINC000296538092 432920530 /nfs/dbraw/zinc/92/05/30/432920530.db2.gz QWFSSASGDMZKRG-HOCLYGCPSA-N 1 0 306.450 3.163 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1C ZINC000289699145 432970543 /nfs/dbraw/zinc/97/05/43/432970543.db2.gz ONQIFPFUUHOWGF-KBPBESRZSA-N 1 0 317.351 3.002 20 10 DGCDRO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1cc(Cl)ccc1O ZINC000289719034 432972788 /nfs/dbraw/zinc/97/27/88/432972788.db2.gz JLWYUBCPEMSURU-LLVKDONJSA-N 1 0 305.809 3.357 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCc2nnc(C)s2)cc1 ZINC000289766341 432975287 /nfs/dbraw/zinc/97/52/87/432975287.db2.gz IOSFNUHXHRUKPJ-UHFFFAOYSA-N 1 0 304.463 3.025 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1OC ZINC000289972918 432981260 /nfs/dbraw/zinc/98/12/60/432981260.db2.gz ZFXMYTSVEYKUFT-HNNXBMFYSA-N 1 0 314.385 3.142 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c(O)c1 ZINC000297250536 432981304 /nfs/dbraw/zinc/98/13/04/432981304.db2.gz JFUXZUCXEZRODB-CZUORRHYSA-N 1 0 303.377 3.094 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(C)cc1O ZINC000280075811 433002494 /nfs/dbraw/zinc/00/24/94/433002494.db2.gz LKXARXHEJIOJJL-NVXWUHKLSA-N 1 0 311.429 3.415 20 10 DGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000290196500 433009999 /nfs/dbraw/zinc/00/99/99/433009999.db2.gz OTKRFVYHYHAMON-UTLUCORTSA-N 1 0 302.212 3.229 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1ccc(C)cc1O ZINC000280258186 433023855 /nfs/dbraw/zinc/02/38/55/433023855.db2.gz XASFRAAAKFZJOR-MRXNPFEDSA-N 1 0 313.401 3.295 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1C[C@H](c3ccccc3F)C1)OCO2 ZINC000280729785 433151442 /nfs/dbraw/zinc/15/14/42/433151442.db2.gz VRNHSZDBGPDYJH-AULYBMBSSA-N 1 0 315.344 3.296 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)c(O)c1 ZINC000373485202 433153275 /nfs/dbraw/zinc/15/32/75/433153275.db2.gz YXHTUCAOONRPKJ-UHFFFAOYSA-N 1 0 323.396 3.389 20 10 DGCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000280874131 433207214 /nfs/dbraw/zinc/20/72/14/433207214.db2.gz AKRGKDLLYNGSLY-DMZKTXOQSA-N 1 0 321.486 3.223 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290901149 433205010 /nfs/dbraw/zinc/20/50/10/433205010.db2.gz MCNCOGAVXYMKPD-LLVKDONJSA-N 1 0 312.200 3.343 20 10 DGCDRO COc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000374607845 433235291 /nfs/dbraw/zinc/23/52/91/433235291.db2.gz BQJUDWVVOXYRSH-SFHVURJKSA-N 1 0 323.396 3.014 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)CCO)c(C(F)(F)F)c1 ZINC000280971294 433243254 /nfs/dbraw/zinc/24/32/54/433243254.db2.gz TVJUOQIDOMKIJU-UHFFFAOYSA-N 1 0 318.383 3.270 20 10 DGCDRO CC[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(N(C)C)cc1 ZINC000281104324 433263837 /nfs/dbraw/zinc/26/38/37/433263837.db2.gz QYVQAEZPFCJUNM-KKSFZXQISA-N 1 0 308.491 3.095 20 10 DGCDRO COC[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000375096241 433360601 /nfs/dbraw/zinc/36/06/01/433360601.db2.gz DKJGWQIOAHIKLD-GFCCVEGCSA-N 1 0 313.825 3.303 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000375298049 433417367 /nfs/dbraw/zinc/41/73/67/433417367.db2.gz QQLZPSASNYVMTP-QGZVFWFLSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC[C@H]2c2ncc[nH]2)c1O ZINC000375358932 433441202 /nfs/dbraw/zinc/44/12/02/433441202.db2.gz ZDCQMYRNLVNSIV-LBPRGKRZSA-N 1 0 307.781 3.114 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1O ZINC000292572970 433579024 /nfs/dbraw/zinc/57/90/24/433579024.db2.gz BVZUZFXFXXQTOG-OAHLLOKOSA-N 1 0 323.820 3.128 20 10 DGCDRO CCCC[N@H+](CC(=O)N1CCCCC1)Cc1ccccc1O ZINC000282501970 433615236 /nfs/dbraw/zinc/61/52/36/433615236.db2.gz QWKGKHJKCOPSOO-UHFFFAOYSA-N 1 0 304.434 3.007 20 10 DGCDRO COc1cc(O)c(CN(C)Cc2c(F)cccc2F)cc1OC ZINC000293526136 433769912 /nfs/dbraw/zinc/76/99/12/433769912.db2.gz BKIJRGXKAFQCFM-UHFFFAOYSA-N 1 0 323.339 3.320 20 10 DGCDRO C[C@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293636718 433810708 /nfs/dbraw/zinc/81/07/08/433810708.db2.gz NPCYLUCRXTVUGS-QWRGUYRKSA-N 1 0 301.789 3.480 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1C ZINC000284973617 433911816 /nfs/dbraw/zinc/91/18/16/433911816.db2.gz BGVXZOLHVVJXAO-OAHLLOKOSA-N 1 0 317.351 3.288 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000377836165 434013898 /nfs/dbraw/zinc/01/38/98/434013898.db2.gz ZGRTZDRQUNOPCC-HUUCEWRRSA-N 1 0 305.418 3.039 20 10 DGCDRO CC1=CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000294299684 434075519 /nfs/dbraw/zinc/07/55/19/434075519.db2.gz PWUBEEGWPZPQGV-MRXNPFEDSA-N 1 0 318.436 3.375 20 10 DGCDRO CC[C@H](c1ccccc1O)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000294789032 434147610 /nfs/dbraw/zinc/14/76/10/434147610.db2.gz LTLJENPKHTXRSF-ZMSDIMECSA-N 1 0 324.424 3.124 20 10 DGCDRO FC(F)(F)c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccn1 ZINC000294973759 434160718 /nfs/dbraw/zinc/16/07/18/434160718.db2.gz FZEAYONMQJGTQA-UHFFFAOYSA-N 1 0 308.303 3.325 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c(O)c1C ZINC000363870554 434170954 /nfs/dbraw/zinc/17/09/54/434170954.db2.gz XSUZVUGLSXWQGQ-CJNGLKHVSA-N 1 0 311.429 3.316 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C(C)(C)O ZINC000295061463 434172907 /nfs/dbraw/zinc/17/29/07/434172907.db2.gz RFRSNBGKTPCADX-NOZJJQNGSA-N 1 0 316.239 3.355 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1 ZINC000363904111 434177735 /nfs/dbraw/zinc/17/77/35/434177735.db2.gz PRFCOZZJARBUBL-GOSISDBHSA-N 1 0 324.472 3.278 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccccc1O ZINC000295105756 434202722 /nfs/dbraw/zinc/20/27/22/434202722.db2.gz KZIZMQCHZODWBQ-WBVHZDCISA-N 1 0 303.377 3.176 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000295104795 434205220 /nfs/dbraw/zinc/20/52/20/434205220.db2.gz UCJFCLDXAQBMKH-UHFFFAOYSA-N 1 0 312.291 3.104 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(C)c(C)cc1O ZINC000295207032 434254320 /nfs/dbraw/zinc/25/43/20/434254320.db2.gz ZLXXLTJRBDPCQZ-CYBMUJFWSA-N 1 0 305.340 3.456 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(C)c(C)cc1O ZINC000295207033 434255118 /nfs/dbraw/zinc/25/51/18/434255118.db2.gz ZLXXLTJRBDPCQZ-ZDUSSCGKSA-N 1 0 305.340 3.456 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc(Cn3cccn3)c1)CC2 ZINC000295845079 434439829 /nfs/dbraw/zinc/43/98/29/434439829.db2.gz FUNNJONTOUHGRP-GOSISDBHSA-N 1 0 319.408 3.414 20 10 DGCDRO OC[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000368013518 434563783 /nfs/dbraw/zinc/56/37/83/434563783.db2.gz BJDXSQQHAAUPID-IBGZPJMESA-N 1 0 322.452 3.064 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1F ZINC000371140826 434645011 /nfs/dbraw/zinc/64/50/11/434645011.db2.gz UCPZGYHPTVOWTQ-OAHLLOKOSA-N 1 0 316.424 3.042 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000371869686 434763350 /nfs/dbraw/zinc/76/33/50/434763350.db2.gz JVXDHMHAIJTRGN-KPZWWZAWSA-N 1 0 301.361 3.496 20 10 DGCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000527536343 435013075 /nfs/dbraw/zinc/01/30/75/435013075.db2.gz WRQDCIRQHPJACG-GOSISDBHSA-N 1 0 312.413 3.277 20 10 DGCDRO COc1cccc([C@@H](C[NH2+]Cc2cc(F)ccc2O)OC)c1 ZINC000529640725 435038749 /nfs/dbraw/zinc/03/87/49/435038749.db2.gz XOTKYYKEXBGCKP-QGZVFWFLSA-N 1 0 305.349 3.017 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2cc(Cl)cc(C)c2O)cn1 ZINC000529661982 435039314 /nfs/dbraw/zinc/03/93/14/435039314.db2.gz MDDOCDCDIMTXCS-UHFFFAOYSA-N 1 0 306.793 3.090 20 10 DGCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCc2ccc(Cl)cc21 ZINC000662548506 436361380 /nfs/dbraw/zinc/36/13/80/436361380.db2.gz GVNHWKHWBJLAKD-UHFFFAOYSA-N 1 0 312.800 3.189 20 10 DGCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CC2(CC2)c2ccccc21 ZINC000662611916 436369035 /nfs/dbraw/zinc/36/90/35/436369035.db2.gz IUTIFBZEQCIEAX-UHFFFAOYSA-N 1 0 304.393 3.024 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1 ZINC000363859276 301654143 /nfs/dbraw/zinc/65/41/43/301654143.db2.gz FJTZEVFPAXLDKD-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO CC(C)Oc1ccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000662809093 436390139 /nfs/dbraw/zinc/39/01/39/436390139.db2.gz DQGBTOQVICWMIA-UHFFFAOYSA-N 1 0 324.424 3.396 20 10 DGCDRO C[C@@H](C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)C1CCCCC1 ZINC000530109163 313321122 /nfs/dbraw/zinc/32/11/22/313321122.db2.gz WTVOKDWRFHKUPO-UGSOOPFHSA-N 1 0 319.445 3.466 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c1 ZINC000293661202 335114724 /nfs/dbraw/zinc/11/47/24/335114724.db2.gz IQEKYGJSYZZLIF-ZFWWWQNUSA-N 1 0 307.434 3.240 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c1 ZINC000185183922 333205246 /nfs/dbraw/zinc/20/52/46/333205246.db2.gz UNQKZDKGQYJESV-HUUCEWRRSA-N 1 0 312.413 3.056 20 10 DGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(F)c(F)c1[O-] ZINC000187732109 333236889 /nfs/dbraw/zinc/23/68/89/333236889.db2.gz PCCUHWDRGKKCFL-PSLIRLAXSA-N 1 0 313.369 3.290 20 10 DGCDRO COc1ccc([C@H](CCO)[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296865836 335146946 /nfs/dbraw/zinc/14/69/46/335146946.db2.gz NTEGVVCYVKQPAQ-IRXDYDNUSA-N 1 0 313.397 3.101 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1cc(F)ccc1O ZINC000289846545 334168554 /nfs/dbraw/zinc/16/85/54/334168554.db2.gz QEWVNDGLWGECRD-IXDGSTSKSA-N 1 0 315.388 3.348 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cc(F)ccc1O ZINC000289846537 334168698 /nfs/dbraw/zinc/16/86/98/334168698.db2.gz QEWVNDGLWGECRD-IRWQIABSSA-N 1 0 315.388 3.348 20 10 DGCDRO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000509412300 340268595 /nfs/dbraw/zinc/26/85/95/340268595.db2.gz YUCUBSNQIIWANR-INIZCTEOSA-N 1 0 315.461 3.270 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)on1 ZINC000185357555 533733306 /nfs/dbraw/zinc/73/33/06/533733306.db2.gz WGVJLAPODZRQKG-SECBINFHSA-N 1 0 311.179 3.302 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c(O)c1 ZINC000131926228 520347805 /nfs/dbraw/zinc/34/78/05/520347805.db2.gz GOWKKAGBIULUFB-KRWDZBQOSA-N 1 0 315.417 3.252 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccsc2)c(O)c1 ZINC000265877529 520366157 /nfs/dbraw/zinc/36/61/57/520366157.db2.gz NNPCFTXYPBDWAF-QGZVFWFLSA-N 1 0 321.442 3.240 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000265117442 520367289 /nfs/dbraw/zinc/36/72/89/520367289.db2.gz DMENTFKDFZAGQW-LJQANCHMSA-N 1 0 315.413 3.178 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2O)[C@]12CCCO2 ZINC000364338593 520433882 /nfs/dbraw/zinc/43/38/82/520433882.db2.gz BDAVBMJSUJENQV-DZJNRPSUSA-N 1 0 305.418 3.160 20 10 DGCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000131381600 520728132 /nfs/dbraw/zinc/72/81/32/520728132.db2.gz WBZSXHMGMLNZJV-INIZCTEOSA-N 1 0 307.457 3.055 20 10 DGCDRO CCN(CC)[C@H](C[NH2+]Cc1cc(F)ccc1O)c1ccco1 ZINC000180542120 520866575 /nfs/dbraw/zinc/86/65/75/520866575.db2.gz YRVHKICMUIEWKS-OAHLLOKOSA-N 1 0 306.381 3.297 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C(=O)OC)o2)cc1 ZINC000265250328 520907245 /nfs/dbraw/zinc/90/72/45/520907245.db2.gz XVYIOKJUSJAMBE-UHFFFAOYSA-N 1 0 316.401 3.202 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000267156846 521155537 /nfs/dbraw/zinc/15/55/37/521155537.db2.gz DSUYCDUQTLLURH-XIKOKIGWSA-N 1 0 319.376 3.142 20 10 DGCDRO CCOc1cccc(C[NH2+][C@](C)(CO)C2CCCCC2)c1O ZINC000265760644 521376320 /nfs/dbraw/zinc/37/63/20/521376320.db2.gz JRUHUPJTSVZWTL-GOSISDBHSA-N 1 0 307.434 3.212 20 10 DGCDRO CCOC(CCC[NH2+]Cc1ccc(N(C)C)c(F)c1)OCC ZINC000264941615 521628126 /nfs/dbraw/zinc/62/81/26/521628126.db2.gz GJJAAZXLAPXRST-UHFFFAOYSA-N 1 0 312.429 3.161 20 10 DGCDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000180670812 521711918 /nfs/dbraw/zinc/71/19/18/521711918.db2.gz PNWKHMZQXDWBPR-GFCCVEGCSA-N 1 0 313.463 3.373 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccccc1O ZINC000155504008 522576248 /nfs/dbraw/zinc/57/62/48/522576248.db2.gz FCHFCVQNFZRVNF-INIZCTEOSA-N 1 0 304.434 3.226 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1ccccc1O ZINC000121091327 522629608 /nfs/dbraw/zinc/62/96/08/522629608.db2.gz GVVDJHLHXZTNDB-WMZOPIPTSA-N 1 0 301.386 3.175 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H](SC)C2)cc1OC ZINC000180763370 522772079 /nfs/dbraw/zinc/77/20/79/522772079.db2.gz LGGRHUZMDXFCBO-ZDUSSCGKSA-N 1 0 311.447 3.127 20 10 DGCDRO CC[C@@H]([NH2+]CCC[C@@H](C)O)c1cc(Br)ccc1O ZINC000228036678 522831096 /nfs/dbraw/zinc/83/10/96/522831096.db2.gz FHDJGJNZXBPNMF-ZWNOBZJWSA-N 1 0 316.239 3.356 20 10 DGCDRO COCCCCC[NH2+]Cc1cc(Br)ccc1O ZINC000227442553 523131444 /nfs/dbraw/zinc/13/14/44/523131444.db2.gz ISEOFAGFQRPTIA-UHFFFAOYSA-N 1 0 302.212 3.061 20 10 DGCDRO Cn1cc(-c2ccccc2C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000362674353 534718358 /nfs/dbraw/zinc/71/83/58/534718358.db2.gz DGQKRKZVGHUAPN-UHFFFAOYSA-N 1 0 319.408 3.312 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)cc1C ZINC000267168869 524089427 /nfs/dbraw/zinc/08/94/27/524089427.db2.gz HLMTUDGOTNCWJF-ACJLOTCBSA-N 1 0 303.377 3.354 20 10 DGCDRO COc1ccc(COCC[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000179879689 524113968 /nfs/dbraw/zinc/11/39/68/524113968.db2.gz PYFWMVNFRIRTGW-AWEZNQCLSA-N 1 0 301.386 3.268 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000179718720 524404103 /nfs/dbraw/zinc/40/41/03/524404103.db2.gz IWVPWXDWBPHROD-KRWDZBQOSA-N 1 0 301.361 3.413 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000181012313 524735724 /nfs/dbraw/zinc/73/57/24/524735724.db2.gz JBWRSUINZBBIPQ-UHFFFAOYSA-N 1 0 311.303 3.450 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)ccc2OC)c1 ZINC000182409382 524762292 /nfs/dbraw/zinc/76/22/92/524762292.db2.gz BJNGWGIHSWUXLY-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1 ZINC000182392208 524764694 /nfs/dbraw/zinc/76/46/94/524764694.db2.gz DMFRLUNHPCCALU-AUUYWEPGSA-N 1 0 315.413 3.402 20 10 DGCDRO Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccccc3O)C2=O)cc1 ZINC000179875679 524977167 /nfs/dbraw/zinc/97/71/67/524977167.db2.gz UMNDPUDODBTSCB-YOEHRIQHSA-N 1 0 310.397 3.157 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1C ZINC000182107723 525323308 /nfs/dbraw/zinc/32/33/08/525323308.db2.gz VVDVMTDZKVEYRT-VGOFRKELSA-N 1 0 317.454 3.218 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)c1cccc(F)c1 ZINC000267145615 525445652 /nfs/dbraw/zinc/44/56/52/525445652.db2.gz AXCYPGGOHCDNSV-UGSOOPFHSA-N 1 0 302.393 3.103 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(O)c1 ZINC000186136686 525749735 /nfs/dbraw/zinc/74/97/35/525749735.db2.gz YHTOZPGJOFFGBG-JKIFEVAISA-N 1 0 307.459 3.406 20 10 DGCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180271202 526349648 /nfs/dbraw/zinc/34/96/48/526349648.db2.gz ZNMDLUJMBGSTGE-GDBMZVCRSA-N 1 0 305.349 3.212 20 10 DGCDRO c1cc2cccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)c2[nH]1 ZINC000236704576 526450364 /nfs/dbraw/zinc/45/03/64/526450364.db2.gz ZVDHUCMHYCRWAG-UHFFFAOYSA-N 1 0 321.424 3.294 20 10 DGCDRO Nc1ccc(CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000237920684 527477783 /nfs/dbraw/zinc/47/77/83/527477783.db2.gz WVDDDZBQFCBLIC-UHFFFAOYSA-N 1 0 323.440 3.088 20 10 DGCDRO COc1ccc(CC[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000119929794 536838891 /nfs/dbraw/zinc/83/88/91/536838891.db2.gz MDNUOBKHBBOOPM-ZDUSSCGKSA-N 1 0 301.386 3.303 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cccc(C(F)(F)F)n2)c1O ZINC000294749758 546424421 /nfs/dbraw/zinc/42/44/21/546424421.db2.gz ICMACESKJBHHTE-UHFFFAOYSA-N 1 0 312.291 3.104 20 10 DGCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCCCc2ccccc21 ZINC000322295338 546473895 /nfs/dbraw/zinc/47/38/95/546473895.db2.gz SHCIKLHBVBZRHN-UHFFFAOYSA-N 1 0 306.409 3.315 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000730273325 574523586 /nfs/dbraw/zinc/52/35/86/574523586.db2.gz PXJBKZISXDCWCU-GOSISDBHSA-N 1 0 319.493 3.077 20 10 DGCDRO Cc1cc(C)n(CC[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000731751868 574558223 /nfs/dbraw/zinc/55/82/23/574558223.db2.gz HLYSTQPNBSZMBE-UHFFFAOYSA-N 1 0 312.461 3.231 20 10 DGCDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccccc1O ZINC000735855986 574718279 /nfs/dbraw/zinc/71/82/79/574718279.db2.gz AIQLKDCXHCQTSU-UHFFFAOYSA-N 1 0 324.380 3.130 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C)o2)cc1F ZINC000741262808 574954493 /nfs/dbraw/zinc/95/44/93/574954493.db2.gz WOLWVMNZQVMWJF-QGZVFWFLSA-N 1 0 320.408 3.397 20 10 DGCDRO CCc1cccc(NC(=O)C[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000742370788 574993013 /nfs/dbraw/zinc/99/30/13/574993013.db2.gz MWBZGEMAUBFEBF-UHFFFAOYSA-N 1 0 312.413 3.300 20 10 DGCDRO C[NH+](C)CCCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000729527458 575254372 /nfs/dbraw/zinc/25/43/72/575254372.db2.gz OEIJQJJHMBNMGW-UHFFFAOYSA-N 1 0 317.477 3.025 20 10 DGCDRO CCOc1cc(C[NH2+]Cc2cc(Cl)ccc2O)ccc1O ZINC000729686004 575260256 /nfs/dbraw/zinc/26/02/56/575260256.db2.gz ZRVQEJPTRTYUGL-UHFFFAOYSA-N 1 0 307.777 3.440 20 10 DGCDRO CCCCN1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000729682745 575260310 /nfs/dbraw/zinc/26/03/10/575260310.db2.gz GIQJWAWIEXTYOU-GOSISDBHSA-N 1 0 302.462 3.366 20 10 DGCDRO CC(C)(C)[N@@H+]1CCCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000748082338 575560653 /nfs/dbraw/zinc/56/06/53/575560653.db2.gz IUKCPANHJSSMOR-UHFFFAOYSA-N 1 0 302.462 3.187 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000749799942 575679467 /nfs/dbraw/zinc/67/94/67/575679467.db2.gz PZUYCYIFTWIBMD-KGLIPLIRSA-N 1 0 319.445 3.254 20 10 DGCDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000749925514 575689378 /nfs/dbraw/zinc/68/93/78/575689378.db2.gz XFSKMNMZALBZCW-KBPBESRZSA-N 1 0 306.425 3.187 20 10 DGCDRO C[S@@](=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000751150962 575771922 /nfs/dbraw/zinc/77/19/22/575771922.db2.gz CPTAZWOESRGLOO-HXUWFJFHSA-N 1 0 309.818 3.073 20 10 DGCDRO CCN(CC)[C@@H](C[NH2+]Cc1c(O)cccc1OC)c1ccco1 ZINC000725849740 575931714 /nfs/dbraw/zinc/93/17/14/575931714.db2.gz WIWFANSYEVKDCC-HNNXBMFYSA-N 1 0 318.417 3.167 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000728301171 576174414 /nfs/dbraw/zinc/17/44/14/576174414.db2.gz KDIZKRDZIYSUFI-CQSZACIVSA-N 1 0 324.424 3.373 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)ccc1N1CCCCC1 ZINC000852663951 620638705 /nfs/dbraw/zinc/63/87/05/620638705.db2.gz AIDAJEUNJDKQQZ-RBUKOAKNSA-N 1 0 314.473 3.454 20 10 DGCDRO O=C(Nc1cccc(N2CCCC2)c1)c1cccc2c1C[NH2+]C2 ZINC000852789663 620649105 /nfs/dbraw/zinc/64/91/05/620649105.db2.gz CUPCFPBNEYYHSE-UHFFFAOYSA-N 1 0 307.397 3.142 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)cc1C(C)C ZINC000853520935 620705962 /nfs/dbraw/zinc/70/59/62/620705962.db2.gz PVKIAULMUPUJQO-UHFFFAOYSA-N 1 0 314.429 3.194 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H]4COC[C@]4(C)C3)c2c1 ZINC000853567106 620710067 /nfs/dbraw/zinc/71/00/67/620710067.db2.gz SYBGUUKHKPWYGG-LIRRHRJNSA-N 1 0 313.397 3.022 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853565087 620710156 /nfs/dbraw/zinc/71/01/56/620710156.db2.gz AFJLZWOLGJGARC-DNVCBOLYSA-N 1 0 303.446 3.466 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1O ZINC000853595404 620713397 /nfs/dbraw/zinc/71/33/97/620713397.db2.gz OVWZZTCNGUWKSB-QGZVFWFLSA-N 1 0 313.397 3.363 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)c2c1c(F)ccc2O ZINC000806167706 617647399 /nfs/dbraw/zinc/64/73/99/617647399.db2.gz GFLUYATTWWXVJS-NOLJZWGESA-N 1 0 315.388 3.273 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc2ccccc2c1O ZINC000806179458 617659188 /nfs/dbraw/zinc/65/91/88/617659188.db2.gz ROAMVXLVCJPJGW-PBHICJAKSA-N 1 0 322.408 3.367 20 10 DGCDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806133192 617670445 /nfs/dbraw/zinc/67/04/45/617670445.db2.gz IVNMGARXLRTJGY-YOEHRIQHSA-N 1 0 306.425 3.065 20 10 DGCDRO CC[N@H+](Cc1cn2ccnc2s1)Cc1ccc(N(C)C)cc1 ZINC000891435358 617798270 /nfs/dbraw/zinc/79/82/70/617798270.db2.gz AHLAZAHRUWZIRO-UHFFFAOYSA-N 1 0 314.458 3.484 20 10 DGCDRO CC[N@H+](Cc1cnn(C)c1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000891436814 617798790 /nfs/dbraw/zinc/79/87/90/617798790.db2.gz QAWGFHHKOAQNDU-UHFFFAOYSA-N 1 0 312.461 3.386 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)c(O)c1OC ZINC000891474139 617809200 /nfs/dbraw/zinc/80/92/00/617809200.db2.gz MCYNUPWKXOBLRC-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2c3c(nn2C)CCC3)C2CC2)cc1 ZINC000891596178 617846780 /nfs/dbraw/zinc/84/67/80/617846780.db2.gz NHZFITRRTBWHHV-UHFFFAOYSA-N 1 0 324.472 3.139 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)c1cc[nH+]cc1CO ZINC000891603509 617849843 /nfs/dbraw/zinc/84/98/43/617849843.db2.gz WQRYCLIKYCUSLI-UHFFFAOYSA-N 1 0 311.429 3.201 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(O)c1OC ZINC000891630137 617856519 /nfs/dbraw/zinc/85/65/19/617856519.db2.gz LOFUMKUQZBMVOR-HNNXBMFYSA-N 1 0 314.385 3.142 20 10 DGCDRO CCC(CC)[N@H+](CCOC)Cc1ccc(OC)c(OC)c1O ZINC000891678727 617867068 /nfs/dbraw/zinc/86/70/68/617867068.db2.gz VLJDGTDRTUUGPI-UHFFFAOYSA-N 1 0 311.422 3.046 20 10 DGCDRO CCC[N@@H+](Cc1ccc(OC)c(OC)c1O)C[C@H]1CCCCO1 ZINC000891944113 617930562 /nfs/dbraw/zinc/93/05/62/617930562.db2.gz YJQFFTCIHFLEKD-OAHLLOKOSA-N 1 0 323.433 3.191 20 10 DGCDRO CC(C)[N@H+](CCCc1cnn(C)c1)Cc1ccc(N(C)C)cc1 ZINC000919770969 620765259 /nfs/dbraw/zinc/76/52/59/620765259.db2.gz YHBYHWATKXLUBW-UHFFFAOYSA-N 1 0 314.477 3.329 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)c(O)c1OC ZINC000892422506 618063433 /nfs/dbraw/zinc/06/34/33/618063433.db2.gz BDIXXXSFWZJUAJ-UHFFFAOYSA-N 1 0 321.804 3.395 20 10 DGCDRO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000892474744 618075298 /nfs/dbraw/zinc/07/52/98/618075298.db2.gz AIUGBXVWSWELIJ-UHFFFAOYSA-N 1 0 300.450 3.437 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2cnnn2C)c(C)n1-c1ccccc1 ZINC000926763620 618117023 /nfs/dbraw/zinc/11/70/23/618117023.db2.gz CXIVTRVGFSCQQC-CQSZACIVSA-N 1 0 309.417 3.073 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(N(C)C)cc1 ZINC000840886899 618130978 /nfs/dbraw/zinc/13/09/78/618130978.db2.gz CLJDGNWJBZUWQS-OAGGEKHMSA-N 1 0 312.404 3.342 20 10 DGCDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840891953 618147812 /nfs/dbraw/zinc/14/78/12/618147812.db2.gz GQUXUQQHQBNSRE-LBPRGKRZSA-N 1 0 307.825 3.285 20 10 DGCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNCc2ccc3c(c2)CCO3)C1 ZINC000920181086 620789098 /nfs/dbraw/zinc/78/90/98/620789098.db2.gz XKQMONVKMYVDLZ-HOTGVXAUSA-N 1 0 316.489 3.468 20 10 DGCDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)nn1C ZINC000840894170 618325885 /nfs/dbraw/zinc/32/58/85/618325885.db2.gz PMRBZZJMHGIMHV-GOEBONIOSA-N 1 0 314.477 3.385 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1O ZINC000840896631 618405201 /nfs/dbraw/zinc/40/52/01/618405201.db2.gz JIVRHIGSBZXXPD-ZFWWWQNUSA-N 1 0 300.377 3.461 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1O ZINC000894678731 618420642 /nfs/dbraw/zinc/42/06/42/618420642.db2.gz FUCVBUAWLFZUDP-KRWDZBQOSA-N 1 0 315.413 3.149 20 10 DGCDRO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)n1 ZINC000840910841 618524441 /nfs/dbraw/zinc/52/44/41/618524441.db2.gz MXBQPZAWBUPSEZ-INIZCTEOSA-N 1 0 314.433 3.132 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)c(O)c1OC ZINC000895155842 618557043 /nfs/dbraw/zinc/55/70/43/618557043.db2.gz OUNGJPCLBJKBQT-UHFFFAOYSA-N 1 0 323.776 3.058 20 10 DGCDRO C[C@]1(Br)C[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000895155486 618557047 /nfs/dbraw/zinc/55/70/47/618557047.db2.gz IVJSNKFCTMBLSH-CABZTGNLSA-N 1 0 304.615 3.309 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000895156123 618557672 /nfs/dbraw/zinc/55/76/72/618557672.db2.gz SRQTZAWCSMTYPD-UHFFFAOYSA-N 1 0 305.809 3.332 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c1O ZINC000895182199 618569097 /nfs/dbraw/zinc/56/90/97/618569097.db2.gz CBKMWBMHDLJMDG-NVXWUHKLSA-N 1 0 305.418 3.147 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c1O ZINC000895182198 618569152 /nfs/dbraw/zinc/56/91/52/618569152.db2.gz CBKMWBMHDLJMDG-DOTOQJQBSA-N 1 0 305.418 3.147 20 10 DGCDRO C[C@@H](c1cc(Cl)ccc1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925751174 618594835 /nfs/dbraw/zinc/59/48/35/618594835.db2.gz KRFACDGXHOILDU-VIFPVBQESA-N 1 0 323.849 3.080 20 10 DGCDRO CSc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)ccn1 ZINC000840935930 618610359 /nfs/dbraw/zinc/61/03/59/618610359.db2.gz DWNPZYCXIXOZHE-UHFFFAOYSA-N 1 0 301.459 3.468 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000840936836 618610485 /nfs/dbraw/zinc/61/04/85/618610485.db2.gz MWHOGPDJIUOSKE-SFHVURJKSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000840937486 618610585 /nfs/dbraw/zinc/61/05/85/618610585.db2.gz VAKJYIAFYXZKFC-SJLPKXTDSA-N 1 0 320.502 3.205 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCCc3c(cnn3C)C2)c(Cl)c1 ZINC000840954526 618625110 /nfs/dbraw/zinc/62/51/10/618625110.db2.gz JPARYCVQNACPLW-UHFFFAOYSA-N 1 0 305.809 3.036 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000840970355 618646420 /nfs/dbraw/zinc/64/64/20/618646420.db2.gz PWVBQPIRAZDRMB-QGZVFWFLSA-N 1 0 305.418 3.038 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1ccc(N(C)C)cc1 ZINC000925855832 618647274 /nfs/dbraw/zinc/64/72/74/618647274.db2.gz IFDXQPUQLIDSTE-DOMZBBRYSA-N 1 0 315.383 3.088 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893871718 618669408 /nfs/dbraw/zinc/66/94/08/618669408.db2.gz MMVNSMDMYVSOQE-UHFFFAOYSA-N 1 0 324.428 3.357 20 10 DGCDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894019731 618693453 /nfs/dbraw/zinc/69/34/53/618693453.db2.gz BNYDOHAGGHCWFK-LLVKDONJSA-N 1 0 307.340 3.439 20 10 DGCDRO COc1cc(C)cc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000894057376 618701470 /nfs/dbraw/zinc/70/14/70/618701470.db2.gz CAFBNAJAGPNTPV-CQSZACIVSA-N 1 0 321.417 3.015 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)ccc21 ZINC000924869815 618712488 /nfs/dbraw/zinc/71/24/88/618712488.db2.gz JDOGHXVXDVYPJS-ICSRJNTNSA-N 1 0 314.473 3.364 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H](OC)c2ccccc2)c1O ZINC000894199826 618727457 /nfs/dbraw/zinc/72/74/57/618727457.db2.gz QWJPWXUFNNWYDU-KRWDZBQOSA-N 1 0 301.386 3.187 20 10 DGCDRO COc1ccc(C2([NH2+]Cc3cc(C)cc(OC)c3O)CC2)cc1 ZINC000894230643 618734685 /nfs/dbraw/zinc/73/46/85/618734685.db2.gz SQEHIBZZRXJINF-UHFFFAOYSA-N 1 0 313.397 3.497 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)Oc2ccccc2F)c1O ZINC000894310075 618760483 /nfs/dbraw/zinc/76/04/83/618760483.db2.gz GQJWNCXVTCNGDB-CYBMUJFWSA-N 1 0 319.376 3.405 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccn(C3CCCC3)n2)c1O ZINC000894345750 618768941 /nfs/dbraw/zinc/76/89/41/618768941.db2.gz LLUCCCPMMYRGSB-UHFFFAOYSA-N 1 0 315.417 3.311 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)c2c(C)noc2C)c1O ZINC000894353828 618770872 /nfs/dbraw/zinc/77/08/72/618770872.db2.gz DPXGVDXSAOGLEO-LLVKDONJSA-N 1 0 304.390 3.207 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1O ZINC000894359493 618771564 /nfs/dbraw/zinc/77/15/64/618771564.db2.gz QGULUTZZVLXAKY-BMGDILEWSA-N 1 0 317.429 3.147 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C2CCC(F)CC2)c(O)c1OC ZINC000895436971 618784312 /nfs/dbraw/zinc/78/43/12/618784312.db2.gz GYSXBTNVDZSVCC-DCBWTQNWSA-N 1 0 311.397 3.416 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1O ZINC000895453368 618785268 /nfs/dbraw/zinc/78/52/68/618785268.db2.gz BZPGGTRAJAKNLZ-WMLDXEAASA-N 1 0 305.418 3.004 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@H](C3CCC3)C2)c(O)c1OC ZINC000895449489 618786200 /nfs/dbraw/zinc/78/62/00/618786200.db2.gz QALJSQYSRQCNBU-AWEZNQCLSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1ccc(C[N@@H+]2CCCC(F)(F)CC2)c(O)c1OC ZINC000895572681 618799847 /nfs/dbraw/zinc/79/98/47/618799847.db2.gz BVYLODKMBCTRNQ-UHFFFAOYSA-N 1 0 301.333 3.031 20 10 DGCDRO COc1cccc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c1O ZINC000895659152 618813261 /nfs/dbraw/zinc/81/32/61/618813261.db2.gz UBRYSRHFDOKVJI-KRWDZBQOSA-N 1 0 301.386 3.003 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896058161 618868162 /nfs/dbraw/zinc/86/81/62/618868162.db2.gz PGLDPHSEAIQZQM-OAHLLOKOSA-N 1 0 304.434 3.004 20 10 DGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1cccc(C)c1O ZINC000896273136 618894069 /nfs/dbraw/zinc/89/40/69/618894069.db2.gz QHMBFZRARACATP-UHFFFAOYSA-N 1 0 313.323 3.014 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1O ZINC000896279683 618896190 /nfs/dbraw/zinc/89/61/90/618896190.db2.gz FCEADIXFQRZFKO-STQMWFEESA-N 1 0 303.324 3.154 20 10 DGCDRO COc1cccc(O)c1C[N@@H+](Cc1ccccn1)CC(C)C ZINC000896665234 618943726 /nfs/dbraw/zinc/94/37/26/618943726.db2.gz PYCDKLQNICTEIQ-UHFFFAOYSA-N 1 0 300.402 3.454 20 10 DGCDRO Cc1cccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c1O ZINC000896812374 618963172 /nfs/dbraw/zinc/96/31/72/618963172.db2.gz UMKMCSSQWLNPJP-CHWSQXEVSA-N 1 0 303.324 3.290 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000896824017 618965443 /nfs/dbraw/zinc/96/54/43/618965443.db2.gz RAJVPERWBGJDOL-TZMCWYRMSA-N 1 0 303.324 3.290 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(CO)(C(F)(F)F)CC2)cc1C ZINC000897037569 619005231 /nfs/dbraw/zinc/00/52/31/619005231.db2.gz SDCIUBVVKBIDCD-UHFFFAOYSA-N 1 0 317.351 3.146 20 10 DGCDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000788978891 625311494 /nfs/dbraw/zinc/31/14/94/625311494.db2.gz AWRBGGBLUYXENU-SNVBAGLBSA-N 1 0 303.324 3.458 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1O ZINC000897245934 619036299 /nfs/dbraw/zinc/03/62/99/619036299.db2.gz NCDJFRXSMHKCJQ-HNNXBMFYSA-N 1 0 305.418 3.291 20 10 DGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000840718795 619041679 /nfs/dbraw/zinc/04/16/79/619041679.db2.gz BQUHTKKNHZVEMS-ZDUSSCGKSA-N 1 0 317.408 3.016 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc2c1OCC2 ZINC000788983651 625313903 /nfs/dbraw/zinc/31/39/03/625313903.db2.gz CVRDYFDQLDRTOX-KZNAEPCWSA-N 1 0 301.430 3.306 20 10 DGCDRO CSC[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862251066 619107268 /nfs/dbraw/zinc/10/72/68/619107268.db2.gz ZSQWAUMPYJDLAQ-SNVBAGLBSA-N 1 0 316.264 3.482 20 10 DGCDRO CCc1cccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c1O ZINC000897421172 619109965 /nfs/dbraw/zinc/10/99/65/619109965.db2.gz VBGJVEZAGCJHMI-UHFFFAOYSA-N 1 0 320.433 3.102 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c1O ZINC000897507928 619141014 /nfs/dbraw/zinc/14/10/14/619141014.db2.gz HRKCJSJCGFYTRM-KGLIPLIRSA-N 1 0 311.809 3.101 20 10 DGCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(F)ccc1O ZINC000897522973 619144946 /nfs/dbraw/zinc/14/49/46/619144946.db2.gz QUOVGSSXSRTMAK-CYBMUJFWSA-N 1 0 309.303 3.105 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)c1 ZINC000786953129 619190155 /nfs/dbraw/zinc/19/01/55/619190155.db2.gz KRZPGHBSQSGUOL-ZANVPECISA-N 1 0 307.312 3.019 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897980522 619202473 /nfs/dbraw/zinc/20/24/73/619202473.db2.gz ADDFXTCKFZQQMI-UHFFFAOYSA-N 1 0 301.478 3.168 20 10 DGCDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1cc(Cl)ccc1O)CCO2 ZINC000897978805 619202528 /nfs/dbraw/zinc/20/25/28/619202528.db2.gz SKWBSMSTDASBMB-CVEARBPZSA-N 1 0 311.809 3.211 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000898102685 619217423 /nfs/dbraw/zinc/21/74/23/619217423.db2.gz XWHYDJLKAGOYIG-CTYIDZIISA-N 1 0 320.433 3.094 20 10 DGCDRO C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1cccc(C(F)(F)F)c1O ZINC000902444354 619637012 /nfs/dbraw/zinc/63/70/12/619637012.db2.gz NFXIIWATALWWNA-BXKDBHETSA-N 1 0 302.340 3.060 20 10 DGCDRO Cc1cc(CC[NH2+][C@H](C)c2cn(C)nn2)c(C)n1-c1ccccc1 ZINC000902731198 619667272 /nfs/dbraw/zinc/66/72/72/619667272.db2.gz WHZXPVAEMFAKPI-OAHLLOKOSA-N 1 0 323.444 3.116 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](F)C3)cc2)CC1 ZINC000902993646 619700606 /nfs/dbraw/zinc/70/06/06/619700606.db2.gz WKCJRUGYXCZGHL-INIZCTEOSA-N 1 0 306.425 3.236 20 10 DGCDRO CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nncn1C ZINC000903067145 619709967 /nfs/dbraw/zinc/70/99/67/619709967.db2.gz ZAOMYFRKGIUWTM-SIVJFFJCSA-N 1 0 318.396 3.195 20 10 DGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000903128586 619722908 /nfs/dbraw/zinc/72/29/08/619722908.db2.gz CUCKCOQJGIPFMI-NOHGZBONSA-N 1 0 307.365 3.011 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000903178767 619730911 /nfs/dbraw/zinc/73/09/11/619730911.db2.gz JIOZWHSLVQHVRW-NURSFMCSSA-N 1 0 319.323 3.161 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c1 ZINC000903239118 619742572 /nfs/dbraw/zinc/74/25/72/619742572.db2.gz INEUUJVHVJAUFR-ZDUSSCGKSA-N 1 0 320.433 3.409 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)CCc2ccccc2)c1O ZINC000903292688 619752049 /nfs/dbraw/zinc/75/20/49/619752049.db2.gz KHEZXIOEUCJHGB-GDBMZVCRSA-N 1 0 315.413 3.045 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000903303376 619754234 /nfs/dbraw/zinc/75/42/34/619754234.db2.gz QBCJQYWRZVCZQD-BXWFABGCSA-N 1 0 301.478 3.420 20 10 DGCDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903331826 619762862 /nfs/dbraw/zinc/76/28/62/619762862.db2.gz NZQVYTYMWLVZJM-KBPBESRZSA-N 1 0 324.440 3.126 20 10 DGCDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000903352248 619763530 /nfs/dbraw/zinc/76/35/30/619763530.db2.gz CCVJWUASWAGISG-STQMWFEESA-N 1 0 323.433 3.419 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCOC23CCOCC3)cc1 ZINC000903388723 619770506 /nfs/dbraw/zinc/77/05/06/619770506.db2.gz MTNXMRAAJVSMCD-CRAIPNDOSA-N 1 0 318.461 3.131 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(C)cc1O ZINC000903389493 619770507 /nfs/dbraw/zinc/77/05/07/619770507.db2.gz LZOMCCUCHAFSSC-DOTOQJQBSA-N 1 0 305.418 3.079 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC23CCOCC3)c2c1c(F)ccc2O ZINC000903389896 619770940 /nfs/dbraw/zinc/77/09/40/619770940.db2.gz PBFNDRJYBGBFJW-OSAQELSMSA-N 1 0 321.392 3.007 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1 ZINC000903449176 619778488 /nfs/dbraw/zinc/77/84/88/619778488.db2.gz WBJOCSGSIIRFKC-RHSMWYFYSA-N 1 0 301.434 3.299 20 10 DGCDRO [NH3+][C@H](CC(F)F)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000903903571 619832097 /nfs/dbraw/zinc/83/20/97/619832097.db2.gz VRLCGNGSPZKJSI-SNVBAGLBSA-N 1 0 324.293 3.320 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCOc3ccc(N)cc3C2)cc1 ZINC000903943753 619842381 /nfs/dbraw/zinc/84/23/81/619842381.db2.gz BMLBRMITHDHVKP-ARJAWSKDSA-N 1 0 323.440 3.243 20 10 DGCDRO Cc1ccc(NC(=S)NCc2cc(N(C)C)cc[nH+]2)c(C)c1 ZINC000905618454 620013588 /nfs/dbraw/zinc/01/35/88/620013588.db2.gz OLMCNQKZLIUMDB-UHFFFAOYSA-N 1 0 314.458 3.251 20 10 DGCDRO Cc1nc(CC2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)no1 ZINC000905735520 620024187 /nfs/dbraw/zinc/02/41/87/620024187.db2.gz USWZOEGDZFYNJE-UHFFFAOYSA-N 1 0 315.417 3.155 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1C(C)C ZINC000151114714 620423881 /nfs/dbraw/zinc/42/38/81/620423881.db2.gz WDOPFTUDKPAHKX-OALUTQOASA-N 1 0 319.445 3.204 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1O ZINC000154037426 620633699 /nfs/dbraw/zinc/63/36/99/620633699.db2.gz UHEWHIVUINEKDD-OAHLLOKOSA-N 1 0 307.397 3.488 20 10 DGCDRO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921483905 620861266 /nfs/dbraw/zinc/86/12/66/620861266.db2.gz ZABIZCBDCHZZFP-UHFFFAOYSA-N 1 0 324.424 3.357 20 10 DGCDRO COC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000112962181 620867644 /nfs/dbraw/zinc/86/76/44/620867644.db2.gz AUANQZSQICSSDV-CQSZACIVSA-N 1 0 315.413 3.412 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCS1 ZINC000769446879 620885765 /nfs/dbraw/zinc/88/57/65/620885765.db2.gz QBEBGJANSMWEDO-GFCCVEGCSA-N 1 0 316.264 3.482 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc[nH]c(=O)c2)cc1F ZINC000921718674 620940161 /nfs/dbraw/zinc/94/01/61/620940161.db2.gz ZOLBNKDCCMEAFO-UHFFFAOYSA-N 1 0 303.381 3.062 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000921747031 620944091 /nfs/dbraw/zinc/94/40/91/620944091.db2.gz LADPGXINEKMEDC-UHFFFAOYSA-N 1 0 311.385 3.198 20 10 DGCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc3c(c2)CCCO3)c(C)o1 ZINC000921776306 620948272 /nfs/dbraw/zinc/94/82/72/620948272.db2.gz RYXLMWXUOLBURT-IBGZPJMESA-N 1 0 315.413 3.219 20 10 DGCDRO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H]2CCCO[C@H]21 ZINC000921782117 620949223 /nfs/dbraw/zinc/94/92/23/620949223.db2.gz QWTFLWDUCYFGMJ-CGTJXYLNSA-N 1 0 301.430 3.305 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCO[C@@]3(CCSC3)C1)CCCO2 ZINC000921862085 620963658 /nfs/dbraw/zinc/96/36/58/620963658.db2.gz MLKFQJUHSDDFBM-AEFFLSMTSA-N 1 0 319.470 3.156 20 10 DGCDRO COc1ccc(C[NH+](C)C)cc1NCc1cccc2c1OCC2 ZINC000921877243 620964983 /nfs/dbraw/zinc/96/49/83/620964983.db2.gz XARPBJITXCDJBV-UHFFFAOYSA-N 1 0 312.413 3.304 20 10 DGCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922014915 620980016 /nfs/dbraw/zinc/98/00/16/620980016.db2.gz KFLMTJGRSSNJSP-UHFFFAOYSA-N 1 0 301.361 3.449 20 10 DGCDRO FC(F)(F)[C@H]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)O1 ZINC000922454135 621039044 /nfs/dbraw/zinc/03/90/44/621039044.db2.gz BMSILUWDQYSCAC-DZGCQCFKSA-N 1 0 315.335 3.211 20 10 DGCDRO COc1cc(O)c(C[NH+]2CC(C)(c3ccccc3)C2)cc1OC ZINC000857059035 621052629 /nfs/dbraw/zinc/05/26/29/621052629.db2.gz YOZDBXIHLMAYEM-UHFFFAOYSA-N 1 0 313.397 3.183 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000857060660 621052870 /nfs/dbraw/zinc/05/28/70/621052870.db2.gz CZMVEYTVGOSXPS-HIFRSBDPSA-N 1 0 321.461 3.149 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1CO ZINC000857061027 621053274 /nfs/dbraw/zinc/05/32/74/621053274.db2.gz IDFUGAVWSRJIDI-SJLPKXTDSA-N 1 0 302.462 3.127 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1OC ZINC000857065661 621053607 /nfs/dbraw/zinc/05/36/07/621053607.db2.gz SUCHYSPWPGXYPL-JTQLQIEISA-N 1 0 320.216 3.083 20 10 DGCDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000922561304 621055833 /nfs/dbraw/zinc/05/58/33/621055833.db2.gz OWSBURPVPDWGNF-UHFFFAOYSA-N 1 0 316.420 3.291 20 10 DGCDRO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000922671734 621076452 /nfs/dbraw/zinc/07/64/52/621076452.db2.gz UPAOSUCTVOPMLX-NSHDSACASA-N 1 0 303.333 3.419 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000922679789 621080441 /nfs/dbraw/zinc/08/04/41/621080441.db2.gz REINGMIWKDRCFA-GJZGRUSLSA-N 1 0 316.367 3.342 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922723164 621090408 /nfs/dbraw/zinc/09/04/08/621090408.db2.gz JGBSUMGBMXUVRE-NSHGMRRFSA-N 1 0 312.457 3.358 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC000922839322 621107712 /nfs/dbraw/zinc/10/77/12/621107712.db2.gz SHJHOWQNYXDHKU-JQWIXIFHSA-N 1 0 300.418 3.405 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3c(O)cccc3Cl)C2)n1 ZINC000922864195 621110841 /nfs/dbraw/zinc/11/08/41/621110841.db2.gz CADVDUHBGZBVIE-MNOVXSKESA-N 1 0 321.808 3.417 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1O ZINC000115629504 621119147 /nfs/dbraw/zinc/11/91/47/621119147.db2.gz AKSWUAPZTFUTIL-UHFFFAOYSA-N 1 0 300.402 3.065 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c(O)c1 ZINC000115629261 621119179 /nfs/dbraw/zinc/11/91/79/621119179.db2.gz IBMOOLUZFMMQPA-UHFFFAOYSA-N 1 0 300.402 3.065 20 10 DGCDRO CC(C)[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000922894301 621121723 /nfs/dbraw/zinc/12/17/23/621121723.db2.gz OXGZPTIJRADJQX-OVKVCFKUSA-N 1 0 312.461 3.486 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1O ZINC000922897943 621128446 /nfs/dbraw/zinc/12/84/46/621128446.db2.gz PAZQYORSXSBMJY-DOTOQJQBSA-N 1 0 305.418 3.086 20 10 DGCDRO Clc1ccc2c(n1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000857903081 621129590 /nfs/dbraw/zinc/12/95/90/621129590.db2.gz BTRJTRLQOPBEAT-AWEZNQCLSA-N 1 0 300.789 3.447 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000922963259 621140179 /nfs/dbraw/zinc/14/01/79/621140179.db2.gz LITOKTSHEGEFKP-IBGZPJMESA-N 1 0 313.397 3.195 20 10 DGCDRO O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922989164 621144495 /nfs/dbraw/zinc/14/44/95/621144495.db2.gz DFZZEXSCUMHXJS-QUCCMNQESA-N 1 0 309.409 3.150 20 10 DGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000858135612 621155913 /nfs/dbraw/zinc/15/59/13/621155913.db2.gz ZVJXWMLTVYGMCC-YGRLFVJLSA-N 1 0 316.239 3.041 20 10 DGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000858156852 621159822 /nfs/dbraw/zinc/15/98/22/621159822.db2.gz SGDXQHNXCVJXEL-SUMWQHHRSA-N 1 0 312.404 3.324 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1F ZINC000858175553 621161592 /nfs/dbraw/zinc/16/15/92/621161592.db2.gz PVZLDTKOTQCTSD-GFCCVEGCSA-N 1 0 312.404 3.326 20 10 DGCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000858177296 621161697 /nfs/dbraw/zinc/16/16/97/621161697.db2.gz OBSQOWVHXHHDSW-PIGZYNQJSA-N 1 0 312.404 3.324 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cc1F ZINC000858186092 621162467 /nfs/dbraw/zinc/16/24/67/621162467.db2.gz QJBITCUVFHWASS-MSOLQXFVSA-N 1 0 324.415 3.468 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2COc3cccc(C)c3C2)c(O)c1 ZINC000858215177 621165391 /nfs/dbraw/zinc/16/53/91/621165391.db2.gz BBPNEGPQKJDFGP-OAHLLOKOSA-N 1 0 313.397 3.193 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000858214197 621165403 /nfs/dbraw/zinc/16/54/03/621165403.db2.gz LXUNPZGDLJSDBL-JEBQAFNWSA-N 1 0 315.800 3.482 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000858214199 621165414 /nfs/dbraw/zinc/16/54/14/621165414.db2.gz LXUNPZGDLJSDBL-MORSLUCNSA-N 1 0 315.800 3.482 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2COc3cccc(C)c3C2)c1 ZINC000858216445 621165847 /nfs/dbraw/zinc/16/58/47/621165847.db2.gz ZWDUQTGTMHMEEO-OAHLLOKOSA-N 1 0 313.397 3.193 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000858237355 621167048 /nfs/dbraw/zinc/16/70/48/621167048.db2.gz KXFUUOISYTYFFC-UHFFFAOYSA-N 1 0 318.461 3.217 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cncc(Br)c2C)c1 ZINC000858239512 621167360 /nfs/dbraw/zinc/16/73/60/621167360.db2.gz OVLASEPHWFOOSG-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000858286206 621171877 /nfs/dbraw/zinc/17/18/77/621171877.db2.gz UUQCXUXSFUZVJB-KKHYBRAUSA-N 1 0 313.489 3.372 20 10 DGCDRO Cc1ccc(O)c(CNC(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000858286395 621171957 /nfs/dbraw/zinc/17/19/57/621171957.db2.gz ATKGKQWLHTZKPI-UHFFFAOYSA-N 1 0 321.465 3.009 20 10 DGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)C(C)C ZINC000756628571 621185683 /nfs/dbraw/zinc/18/56/83/621185683.db2.gz WISXNNGTXOWHFM-QMTHXVAHSA-N 1 0 316.239 3.476 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)c(O)c1 ZINC000858453712 621192942 /nfs/dbraw/zinc/19/29/42/621192942.db2.gz YGZIRFXVZGJXEA-JTQLQIEISA-N 1 0 313.323 3.304 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1cc(Cl)ccc1O ZINC000858474650 621195646 /nfs/dbraw/zinc/19/56/46/621195646.db2.gz STGIKMBKXKBBRR-GXTWGEPZSA-N 1 0 309.793 3.348 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1cc(Cl)ccc1O ZINC000858474660 621195665 /nfs/dbraw/zinc/19/56/65/621195665.db2.gz STGIKMBKXKBBRR-TZMCWYRMSA-N 1 0 309.793 3.348 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)c(O)c1 ZINC000858478704 621196212 /nfs/dbraw/zinc/19/62/12/621196212.db2.gz AIVVDRIHRNUGEJ-KGLIPLIRSA-N 1 0 312.404 3.389 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccccc1O ZINC000858535985 621202580 /nfs/dbraw/zinc/20/25/80/621202580.db2.gz DAQBGLBZBJUGMK-RKVPGOIHSA-N 1 0 314.385 3.064 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(C(F)(F)F)cc1O ZINC000858543345 621203072 /nfs/dbraw/zinc/20/30/72/621203072.db2.gz ICLWJCONBGQJSC-SUZMYJTESA-N 1 0 303.324 3.223 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(=O)[nH]n2)c(C)n1-c1ccccc1 ZINC000858542037 621203280 /nfs/dbraw/zinc/20/32/80/621203280.db2.gz HQNDOOLWFIRFLN-AWEZNQCLSA-N 1 0 322.412 3.441 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@@H](OCC)[C@@H]1SC ZINC000839055886 621319543 /nfs/dbraw/zinc/31/95/43/621319543.db2.gz HMXIHUYZJHNQAX-BRWVUGGUSA-N 1 0 308.491 3.271 20 10 DGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000839146316 621332867 /nfs/dbraw/zinc/33/28/67/621332867.db2.gz CIEYUINARLTKTA-OCCSQVGLSA-N 1 0 310.388 3.080 20 10 DGCDRO CC(C)(C)CC[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146190 621333183 /nfs/dbraw/zinc/33/31/83/621333183.db2.gz YWDXKZKZYKPSHU-UHFFFAOYSA-N 1 0 312.404 3.327 20 10 DGCDRO Fc1cc(C[NH+]2CC3(C2)CCCCC3)ccc1N1CCOCC1 ZINC000839131565 621338843 /nfs/dbraw/zinc/33/88/43/621338843.db2.gz BEGKFYLZCBXOMJ-UHFFFAOYSA-N 1 0 318.436 3.428 20 10 DGCDRO CC(C)(C)C1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000839143791 621340860 /nfs/dbraw/zinc/34/08/60/621340860.db2.gz CCVNJGSWHHLGCL-UHFFFAOYSA-N 1 0 306.425 3.140 20 10 DGCDRO Cc1cc(NCc2ccccc2O)ccc1OCC[NH+](C)C ZINC000839183426 621344382 /nfs/dbraw/zinc/34/43/82/621344382.db2.gz ABAZRXZYYQIUAD-UHFFFAOYSA-N 1 0 300.402 3.253 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1C ZINC000839192155 621346798 /nfs/dbraw/zinc/34/67/98/621346798.db2.gz LPJDZQAIUCTEMF-ZWKOTPCHSA-N 1 0 303.446 3.382 20 10 DGCDRO CCOC(=O)CC1([NH2+]Cc2ccc(N(C)C)cc2)CCCC1 ZINC000789388137 625483902 /nfs/dbraw/zinc/48/39/02/625483902.db2.gz OMMZAYGXBMGMLT-UHFFFAOYSA-N 1 0 304.434 3.108 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCc2cncs2)C2CC2)cc1 ZINC000839467506 621378677 /nfs/dbraw/zinc/37/86/77/621378677.db2.gz GLVBRXGXYRYZSZ-UHFFFAOYSA-N 1 0 301.459 3.416 20 10 DGCDRO Oc1ccccc1C[N@H+](CC[C@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000754070158 621484808 /nfs/dbraw/zinc/48/48/08/621484808.db2.gz WVQKHSUGRJFTFD-MSOLQXFVSA-N 1 0 319.445 3.332 20 10 DGCDRO CCC1CCC([N@H+](CCO)Cc2cccc(OC)c2O)CC1 ZINC000754154463 621491979 /nfs/dbraw/zinc/49/19/79/621491979.db2.gz PALSXGYEVPZBSO-UHFFFAOYSA-N 1 0 307.434 3.164 20 10 DGCDRO COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000754668560 621523639 /nfs/dbraw/zinc/52/36/39/621523639.db2.gz PWGFEASBAIFXCZ-UHFFFAOYSA-N 1 0 311.429 3.321 20 10 DGCDRO COc1cc(C)cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1O ZINC000754731433 621529015 /nfs/dbraw/zinc/52/90/15/621529015.db2.gz BTVRALNRFQSFFI-QGZVFWFLSA-N 1 0 318.461 3.160 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000754736875 621529683 /nfs/dbraw/zinc/52/96/83/621529683.db2.gz ONVIWAIOOLOVSE-QAPCUYQASA-N 1 0 307.434 3.345 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)CCc2nccs2)cc1F ZINC000862251096 621568120 /nfs/dbraw/zinc/56/81/20/621568120.db2.gz ULECGTXMKQOFIM-UHFFFAOYSA-N 1 0 311.401 3.162 20 10 DGCDRO CCCC[N@H+](CCCO)Cc1c(O)cccc1Br ZINC000862367248 621579265 /nfs/dbraw/zinc/57/92/65/621579265.db2.gz AQJMCRLJJXNJBV-UHFFFAOYSA-N 1 0 316.239 3.139 20 10 DGCDRO Cc1nccn1CCC[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862367424 621580111 /nfs/dbraw/zinc/58/01/11/621580111.db2.gz IKERQOCUQTYSJY-UHFFFAOYSA-N 1 0 322.403 3.058 20 10 DGCDRO CS[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862385190 621582071 /nfs/dbraw/zinc/58/20/71/621582071.db2.gz PPZIQVMLRDKESX-VIFPVBQESA-N 1 0 302.237 3.092 20 10 DGCDRO COC(=O)Cc1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000862448649 621591835 /nfs/dbraw/zinc/59/18/35/621591835.db2.gz XYJUJSWBPUYEDW-UHFFFAOYSA-N 1 0 313.397 3.014 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C1)OCO2 ZINC000862528571 621596838 /nfs/dbraw/zinc/59/68/38/621596838.db2.gz AKURRYXYASRUJF-BHYGNILZSA-N 1 0 323.392 3.356 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000756035125 621611221 /nfs/dbraw/zinc/61/12/21/621611221.db2.gz SGTDIBCUCRTKPM-UHFFFAOYSA-N 1 0 303.793 3.045 20 10 DGCDRO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000756106333 621615376 /nfs/dbraw/zinc/61/53/76/621615376.db2.gz IHMORIFFYFZLMG-OXQOHEQNSA-N 1 0 315.505 3.495 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2cc(Cl)ccc2O)CCCCC1 ZINC000756132920 621617579 /nfs/dbraw/zinc/61/75/79/621617579.db2.gz SGCFFBGQEYDMEU-UHFFFAOYSA-N 1 0 311.809 3.401 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1cc(F)ccc1O ZINC000756342778 621629207 /nfs/dbraw/zinc/62/92/07/621629207.db2.gz LDMAQFXVIHADTD-WMLDXEAASA-N 1 0 316.420 3.355 20 10 DGCDRO C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756362540 621631589 /nfs/dbraw/zinc/63/15/89/621631589.db2.gz JVCMWVUWMFLSKY-LLVKDONJSA-N 1 0 321.421 3.260 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c(O)c1C ZINC000756366924 621631898 /nfs/dbraw/zinc/63/18/98/621631898.db2.gz JUANYQXQYQYYDI-SJLPKXTDSA-N 1 0 320.477 3.016 20 10 DGCDRO COc1ccccc1OCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756374074 621632710 /nfs/dbraw/zinc/63/27/10/621632710.db2.gz XSPRNAOUJSAUDB-AWEZNQCLSA-N 1 0 301.386 3.439 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CC)CCO)c1cc(Br)ccc1O ZINC000119237526 621633062 /nfs/dbraw/zinc/63/30/62/621633062.db2.gz XFEPTYVROVVSCI-WCQYABFASA-N 1 0 316.239 3.356 20 10 DGCDRO CCC[C@@H](O)C[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000119239834 621633274 /nfs/dbraw/zinc/63/32/74/621633274.db2.gz YVZMIYVSGYAZCR-YPMHNXCESA-N 1 0 316.239 3.356 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000756380246 621633370 /nfs/dbraw/zinc/63/33/70/621633370.db2.gz FQGRODMLDPITKY-GWCFXTLKSA-N 1 0 302.349 3.273 20 10 DGCDRO COc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)ccn1 ZINC000756402768 621635466 /nfs/dbraw/zinc/63/54/66/621635466.db2.gz YKGBQBNQSJKSHG-MFKMUULPSA-N 1 0 302.349 3.273 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)c2c1c(F)ccc2O ZINC000756403752 621636082 /nfs/dbraw/zinc/63/60/82/621636082.db2.gz QYQKQIFGOPJZOY-HONMWMINSA-N 1 0 315.392 3.480 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccnc2N(C)C)c2c1c(F)ccc2O ZINC000756411427 621636347 /nfs/dbraw/zinc/63/63/47/621636347.db2.gz PWYABHGDRARBPF-RISCZKNCSA-N 1 0 315.392 3.330 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N(C)C)c2c1c(F)ccc2O ZINC000756411423 621636377 /nfs/dbraw/zinc/63/63/77/621636377.db2.gz PWYABHGDRARBPF-BXUZGUMPSA-N 1 0 315.392 3.330 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)c2c1c(F)ccc2O ZINC000756416481 621636743 /nfs/dbraw/zinc/63/67/43/621636743.db2.gz HRKAMLTZRSXBIQ-BXUZGUMPSA-N 1 0 321.392 3.355 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756415883 621636801 /nfs/dbraw/zinc/63/68/01/621636801.db2.gz LTNUOLDRJOCPGU-JSGCOSHPSA-N 1 0 322.424 3.318 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756434032 621638147 /nfs/dbraw/zinc/63/81/47/621638147.db2.gz HTJUVRBXVIIDHA-UONOGXRCSA-N 1 0 321.421 3.073 20 10 DGCDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000756434408 621638164 /nfs/dbraw/zinc/63/81/64/621638164.db2.gz XALYFNUYNVKVDJ-SCLBCKFNSA-N 1 0 302.462 3.262 20 10 DGCDRO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1C ZINC000756533725 621645319 /nfs/dbraw/zinc/64/53/19/621645319.db2.gz HJRDHDHPBSAKGA-LLVKDONJSA-N 1 0 303.406 3.085 20 10 DGCDRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000756549521 621647016 /nfs/dbraw/zinc/64/70/16/621647016.db2.gz FYVQKLKICAKPCH-ZDUSSCGKSA-N 1 0 324.440 3.071 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)c2c1c(F)ccc2O ZINC000756547329 621647286 /nfs/dbraw/zinc/64/72/86/621647286.db2.gz AVSUZJJKXFHLLN-NHYWBVRUSA-N 1 0 301.361 3.362 20 10 DGCDRO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1cc(Cl)ccc1O ZINC000756553718 621647787 /nfs/dbraw/zinc/64/77/87/621647787.db2.gz HVAGSYFWQVHMGL-GFCCVEGCSA-N 1 0 310.825 3.099 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2=O)c(O)c1C ZINC000756557934 621648273 /nfs/dbraw/zinc/64/82/73/621648273.db2.gz YELYDBKBKGNMGC-OAHLLOKOSA-N 1 0 304.434 3.062 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCCC2=O)c(O)c1C ZINC000756557933 621648908 /nfs/dbraw/zinc/64/89/08/621648908.db2.gz YELYDBKBKGNMGC-HNNXBMFYSA-N 1 0 304.434 3.062 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cc(F)ccc1O ZINC000756561607 621649181 /nfs/dbraw/zinc/64/91/81/621649181.db2.gz FQOAMSYGNNAMGC-ORAYPTAESA-N 1 0 315.388 3.406 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756586277 621651387 /nfs/dbraw/zinc/65/13/87/621651387.db2.gz QDPRQKHYKWTPDS-XPKDYRNWSA-N 1 0 315.388 3.273 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c2c1c(F)ccc2O ZINC000756606991 621652352 /nfs/dbraw/zinc/65/23/52/621652352.db2.gz LPTYKOQGTVYNRC-PWSUYJOCSA-N 1 0 309.381 3.401 20 10 DGCDRO CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756612045 621652484 /nfs/dbraw/zinc/65/24/84/621652484.db2.gz LSNHJBHJHBWESO-GFCCVEGCSA-N 1 0 312.404 3.443 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)c2c1c(F)ccc2O ZINC000756632991 621654649 /nfs/dbraw/zinc/65/46/49/621654649.db2.gz GKGHMPKXOXYLFR-INWMFGNUSA-N 1 0 315.388 3.445 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756656086 621656632 /nfs/dbraw/zinc/65/66/32/621656632.db2.gz SXLRIMVJIVJYFE-HOCLYGCPSA-N 1 0 316.445 3.142 20 10 DGCDRO CC(C)OC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000756708344 621659674 /nfs/dbraw/zinc/65/96/74/621659674.db2.gz OSYUBZVSQCOBSV-LBPRGKRZSA-N 1 0 324.396 3.191 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)[C@H](C)c2ccccc2)c1 ZINC000756711476 621659716 /nfs/dbraw/zinc/65/97/16/621659716.db2.gz LCWXJEPPUDWCLD-QWQRMKEZSA-N 1 0 315.413 3.216 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2sccc2C)c1 ZINC000756736010 621661746 /nfs/dbraw/zinc/66/17/46/621661746.db2.gz KKTQOCIMUKFRPD-RISCZKNCSA-N 1 0 307.415 3.155 20 10 DGCDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756738798 621661777 /nfs/dbraw/zinc/66/17/77/621661777.db2.gz LFZQOLLFSOBVSF-ZYHUDNBSSA-N 1 0 316.239 3.356 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC[C@H]2CCCC[C@H]2O)c1 ZINC000756761998 621662798 /nfs/dbraw/zinc/66/27/98/621662798.db2.gz WOFLTMWNVILBSH-JJRVBVJISA-N 1 0 307.434 3.383 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cc(F)ccc1O ZINC000756763281 621662964 /nfs/dbraw/zinc/66/29/64/621662964.db2.gz WRSKDWFKQCFSLS-MLGOLLRUSA-N 1 0 320.408 3.116 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCOc2ncccc2F)c2c1c(F)ccc2O ZINC000756761889 621662979 /nfs/dbraw/zinc/66/29/79/621662979.db2.gz RQZOUXDYTWPEIJ-GXFFZTMASA-N 1 0 320.339 3.282 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(Br)cc1O ZINC000756770047 621663343 /nfs/dbraw/zinc/66/33/43/621663343.db2.gz IRCCWEVUYUMXCE-DLOVCJGASA-N 1 0 314.223 3.109 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c(O)c1C ZINC000756771521 621663400 /nfs/dbraw/zinc/66/34/00/621663400.db2.gz XPELVJRYZAVPQN-QRWLVFNGSA-N 1 0 311.425 3.494 20 10 DGCDRO CCN(CC)c1ccc(CN[C@H]2CC[NH2+]C23CCC3)cc1F ZINC000863483288 621677546 /nfs/dbraw/zinc/67/75/46/621677546.db2.gz USAXMLZRMMLMIS-KRWDZBQOSA-N 1 0 305.441 3.046 20 10 DGCDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000863543344 621682282 /nfs/dbraw/zinc/68/22/82/621682282.db2.gz MTOSVRNWGKWRGT-TVYUQYBPSA-N 1 0 302.340 3.202 20 10 DGCDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000863647052 621693315 /nfs/dbraw/zinc/69/33/15/621693315.db2.gz VXCCRPLEFGILKO-LSDHHAIUSA-N 1 0 315.383 3.002 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000839621346 621701576 /nfs/dbraw/zinc/70/15/76/621701576.db2.gz IWLDWEHLIMJKGV-OAGGEKHMSA-N 1 0 318.461 3.392 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000757656524 621731483 /nfs/dbraw/zinc/73/14/83/621731483.db2.gz JHQSVQBRSBWFIJ-MNOVXSKESA-N 1 0 314.223 3.232 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1F ZINC000864053442 621732735 /nfs/dbraw/zinc/73/27/35/621732735.db2.gz KQFSYKHWRJZIEW-ACJLOTCBSA-N 1 0 324.415 3.326 20 10 DGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)Cc2ccccc21 ZINC000758374492 621778449 /nfs/dbraw/zinc/77/84/49/621778449.db2.gz CNZJVAWISJZMLH-UHFFFAOYSA-N 1 0 311.381 3.414 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000758529668 621786573 /nfs/dbraw/zinc/78/65/73/621786573.db2.gz QOYIGPLBBMDPAP-IEBWSBKVSA-N 1 0 315.388 3.096 20 10 DGCDRO OC[C@@H]([NH2+]Cc1ccccc1O)c1ccc(C(F)(F)F)cc1 ZINC000758630753 621792699 /nfs/dbraw/zinc/79/26/99/621792699.db2.gz JBBMLEAWIWRWMQ-CQSZACIVSA-N 1 0 311.303 3.234 20 10 DGCDRO COc1cc(C[NH+]2CCC3(CCOCC3)CC2)c(O)cc1C ZINC000789529303 625517612 /nfs/dbraw/zinc/51/76/12/625517612.db2.gz CNYSOWDFGDDILJ-UHFFFAOYSA-N 1 0 305.418 3.102 20 10 DGCDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000759155701 621830218 /nfs/dbraw/zinc/83/02/18/621830218.db2.gz ACJHEYNRFANYLL-GOSISDBHSA-N 1 0 322.412 3.319 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cc(F)ccc2N(C)C)cc1 ZINC000865404429 621910981 /nfs/dbraw/zinc/91/09/81/621910981.db2.gz KFMKGOLRBMEPLM-UHFFFAOYSA-N 1 0 301.409 3.248 20 10 DGCDRO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000789588353 625530666 /nfs/dbraw/zinc/53/06/66/625530666.db2.gz BHMSGBAPLDPBKD-ZDUSSCGKSA-N 1 0 318.367 3.381 20 10 DGCDRO COc1cncc(C[NH2+]CCCSc2nccs2)c1C ZINC000865469164 621928147 /nfs/dbraw/zinc/92/81/47/621928147.db2.gz QTZFCUHXSWSZMU-UHFFFAOYSA-N 1 0 309.460 3.127 20 10 DGCDRO COCCc1ncc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000865531060 621944978 /nfs/dbraw/zinc/94/49/78/621944978.db2.gz FRQIHWLZVRVVQX-ZDUSSCGKSA-N 1 0 319.474 3.249 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cccc3c2CCOC3)c1O ZINC000865725197 621983948 /nfs/dbraw/zinc/98/39/48/621983948.db2.gz FFLYREFPYWSTNS-UHFFFAOYSA-N 1 0 313.397 3.153 20 10 DGCDRO COc1cccc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1O ZINC000865726160 621984388 /nfs/dbraw/zinc/98/43/88/621984388.db2.gz LNOJGVCGSYTHPH-INIZCTEOSA-N 1 0 305.418 3.230 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000865775434 621992902 /nfs/dbraw/zinc/99/29/02/621992902.db2.gz SPELXLYHYOHAJD-OKILXGFUSA-N 1 0 321.417 3.001 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1O ZINC000761195882 621993077 /nfs/dbraw/zinc/99/30/77/621993077.db2.gz QIKCJRNHEDFSJU-UWVGGRQHSA-N 1 0 301.839 3.380 20 10 DGCDRO COCC[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CCCC1 ZINC000761192235 621993189 /nfs/dbraw/zinc/99/31/89/621993189.db2.gz IBOVRMNGSUBCFA-UHFFFAOYSA-N 1 0 313.825 3.445 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC23CCOCC3)cc1F ZINC000865778050 621993593 /nfs/dbraw/zinc/99/35/93/621993593.db2.gz FVVKVHHQJMRNIZ-HNNXBMFYSA-N 1 0 306.425 3.188 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC23CCOCC3)c1 ZINC000865779589 621994194 /nfs/dbraw/zinc/99/41/94/621994194.db2.gz YPZDGLIMSHWADP-HNNXBMFYSA-N 1 0 305.418 3.087 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000761206552 621994311 /nfs/dbraw/zinc/99/43/11/621994311.db2.gz KWCNJZHLKWFZFC-CZUORRHYSA-N 1 0 313.825 3.347 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@H]2CCN2C2CCCCCC2)c1O ZINC000865804627 621998002 /nfs/dbraw/zinc/99/80/02/621998002.db2.gz CPXQPAGAPIMKNE-KRWDZBQOSA-N 1 0 318.461 3.288 20 10 DGCDRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000865806720 621998498 /nfs/dbraw/zinc/99/84/98/621998498.db2.gz MWWAJBGBWABVGL-MRXNPFEDSA-N 1 0 302.805 3.322 20 10 DGCDRO CCOCc1cc(C[NH2+]CC[C@H](O)C2CCCC2)ccc1OC ZINC000865874770 622013270 /nfs/dbraw/zinc/01/32/70/622013270.db2.gz IHVHAYRPCYCAAX-SFHVURJKSA-N 1 0 321.461 3.263 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)cc1 ZINC000865878802 622014722 /nfs/dbraw/zinc/01/47/22/622014722.db2.gz BEAORMNJKXYTLX-UHFFFAOYSA-N 1 0 311.429 3.022 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc2c1OCC2 ZINC000762620395 622086947 /nfs/dbraw/zinc/08/69/47/622086947.db2.gz ZXVIXRLZXDBVQW-VNQPRFMTSA-N 1 0 307.484 3.091 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(Br)cc1O ZINC000762647196 622088967 /nfs/dbraw/zinc/08/89/67/622088967.db2.gz FGVDWTUHLHIFKN-KWBADKCTSA-N 1 0 314.223 3.230 20 10 DGCDRO C[C@H]([NH2+]CCC1CC(O)C1)c1ccc(N2CCCCC2)cc1 ZINC000762649528 622089351 /nfs/dbraw/zinc/08/93/51/622089351.db2.gz NHEGVNNYGGBHGS-LYGPFTKASA-N 1 0 302.462 3.489 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCc4ncccc43)C2)cc1 ZINC000866384944 622107688 /nfs/dbraw/zinc/10/76/88/622107688.db2.gz GUUFUQHVTKBLLX-MGPUTAFESA-N 1 0 323.440 3.336 20 10 DGCDRO CC[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(N(C)C)cc1 ZINC000866444495 622119584 /nfs/dbraw/zinc/11/95/84/622119584.db2.gz INNONJYATOSIDZ-GDJIKERASA-N 1 0 300.446 3.217 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c2c1c(F)ccc2O ZINC000866447134 622120054 /nfs/dbraw/zinc/12/00/54/622120054.db2.gz ZDBLWWZOVMRZPC-BDLPKMALSA-N 1 0 303.377 3.093 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000866465208 622122696 /nfs/dbraw/zinc/12/26/96/622122696.db2.gz PQIQMOAMOVPCGM-COPLHBTASA-N 1 0 304.356 3.105 20 10 DGCDRO COC(C)(C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000866503577 622128337 /nfs/dbraw/zinc/12/83/37/622128337.db2.gz URNTULLEGPDGNE-AWEZNQCLSA-N 1 0 324.440 3.128 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)on1 ZINC000866514335 622130236 /nfs/dbraw/zinc/13/02/36/622130236.db2.gz JOCYRIWSFMOJRJ-LBPRGKRZSA-N 1 0 318.373 3.025 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccccc1O ZINC000866533740 622133958 /nfs/dbraw/zinc/13/39/58/622133958.db2.gz VAHWVORBKSNPDO-GOEBONIOSA-N 1 0 305.418 3.019 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1O ZINC000763477166 622147493 /nfs/dbraw/zinc/14/74/93/622147493.db2.gz DGVWCWVCBDBEFQ-AWEZNQCLSA-N 1 0 303.789 3.317 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nccc32)c2c1c(F)ccc2O ZINC000866634498 622150895 /nfs/dbraw/zinc/15/08/95/622150895.db2.gz ROYHNIAZFLXLCE-RAIGVLPGSA-N 1 0 301.365 3.401 20 10 DGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000866635892 622151414 /nfs/dbraw/zinc/15/14/14/622151414.db2.gz UVBJAUKOUPYNKT-CKYFFXLPSA-N 1 0 316.239 3.355 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000764612741 622207359 /nfs/dbraw/zinc/20/73/59/622207359.db2.gz YEFALDJDEVDCHK-KRWDZBQOSA-N 1 0 312.413 3.044 20 10 DGCDRO C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1O ZINC000868264757 622229364 /nfs/dbraw/zinc/22/93/64/622229364.db2.gz UWPTUKVJPCMXJE-CJNGLKHVSA-N 1 0 321.465 3.119 20 10 DGCDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000765119515 622247773 /nfs/dbraw/zinc/24/77/73/622247773.db2.gz XVGCNAGLTSQRNZ-AWEZNQCLSA-N 1 0 306.425 3.331 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2COc3ccccc3O2)cc1C ZINC000765265995 622255677 /nfs/dbraw/zinc/25/56/77/622255677.db2.gz KJSAHKXEMMHGFH-INIZCTEOSA-N 1 0 313.397 3.329 20 10 DGCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765287481 622257031 /nfs/dbraw/zinc/25/70/31/622257031.db2.gz QBJFQPUBHUHTRW-MAUKXSAKSA-N 1 0 320.452 3.455 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000765359774 622260898 /nfs/dbraw/zinc/26/08/98/622260898.db2.gz YLHPMEQQQWLXMV-NVXWUHKLSA-N 1 0 323.440 3.209 20 10 DGCDRO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765396984 622262908 /nfs/dbraw/zinc/26/29/08/622262908.db2.gz OVSUJAOHZQSXJN-OAHLLOKOSA-N 1 0 308.429 3.453 20 10 DGCDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765937628 622295189 /nfs/dbraw/zinc/29/51/89/622295189.db2.gz OXJUXLYZVKJGGM-LPHOPBHVSA-N 1 0 320.477 3.115 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1O ZINC000766090471 622305057 /nfs/dbraw/zinc/30/50/57/622305057.db2.gz TUOLFRFSGWPTNK-HZPDHXFCSA-N 1 0 307.434 3.473 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000766089347 622305387 /nfs/dbraw/zinc/30/53/87/622305387.db2.gz QIYJDPUXVMTXMM-DLBZAZTESA-N 1 0 307.434 3.473 20 10 DGCDRO CC[C@H](C[C@H](C)CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000766360892 622324734 /nfs/dbraw/zinc/32/47/34/622324734.db2.gz OVVCGHOXEUUICE-JKSUJKDBSA-N 1 0 320.477 3.051 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000767417059 622397247 /nfs/dbraw/zinc/39/72/47/622397247.db2.gz GIWNBZONZGKITB-UHFFFAOYSA-N 1 0 316.401 3.263 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)c1ccccc1 ZINC000789778211 625565608 /nfs/dbraw/zinc/56/56/08/625565608.db2.gz GNZDGCZSYGOTEJ-MSOLQXFVSA-N 1 0 303.377 3.379 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c(O)c1 ZINC000767927125 622428825 /nfs/dbraw/zinc/42/88/25/622428825.db2.gz ORZQPXCFPLKZLX-HNNXBMFYSA-N 1 0 305.418 3.372 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)c1ccccc1 ZINC000789778213 625566261 /nfs/dbraw/zinc/56/62/61/625566261.db2.gz GNZDGCZSYGOTEJ-QZTJIDSGSA-N 1 0 303.377 3.379 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)c1 ZINC000789778165 625566323 /nfs/dbraw/zinc/56/63/23/625566323.db2.gz FUDXGDUDNBIKBY-RBUKOAKNSA-N 1 0 315.413 3.249 20 10 DGCDRO COc1cccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)c1O ZINC000768168296 622443052 /nfs/dbraw/zinc/44/30/52/622443052.db2.gz IBZSMIJVZMQXKY-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1 ZINC000768184967 622444023 /nfs/dbraw/zinc/44/40/23/622444023.db2.gz KHGRCSSUANEPRF-SFHVURJKSA-N 1 0 317.477 3.153 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000768192896 622444412 /nfs/dbraw/zinc/44/44/12/622444412.db2.gz VJHMEHNNUIGGKS-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)ccc1O ZINC000768199091 622445159 /nfs/dbraw/zinc/44/51/59/622445159.db2.gz YZAOOTWKQHKIAD-UHFFFAOYSA-N 1 0 305.761 3.406 20 10 DGCDRO CCOc1ccc(CN2CC[NH+](C3CCCCC3)CC2)c(O)c1 ZINC000768241536 622447049 /nfs/dbraw/zinc/44/70/49/622447049.db2.gz SKZVRCUPKYUWAU-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000768246621 622447648 /nfs/dbraw/zinc/44/76/48/622447648.db2.gz YULWIIHOJASWKK-OAQYLSRUSA-N 1 0 323.484 3.459 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccs1)[C@H](O)CO2 ZINC000768442099 622456038 /nfs/dbraw/zinc/45/60/38/622456038.db2.gz OUXNDXDYGKQGSR-UKRRQHHQSA-N 1 0 317.410 3.217 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1OC ZINC000768443850 622456044 /nfs/dbraw/zinc/45/60/44/622456044.db2.gz VEJQRPGWTHXWPJ-OAHLLOKOSA-N 1 0 314.385 3.142 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768441430 622456148 /nfs/dbraw/zinc/45/61/48/622456148.db2.gz LNUKAKRRNSFNSB-AEFFLSMTSA-N 1 0 311.381 3.155 20 10 DGCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441152 622456431 /nfs/dbraw/zinc/45/64/31/622456431.db2.gz WHRLZWZBJQTWOU-GOSISDBHSA-N 1 0 313.397 3.149 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](N3CCCCC3)C1)CCCC2 ZINC000768452716 622457497 /nfs/dbraw/zinc/45/74/97/622457497.db2.gz RLVJCYNPMOVTLM-IBGZPJMESA-N 1 0 314.473 3.331 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]([C@H]3CCOC3)C1)CCCC2 ZINC000768461854 622457698 /nfs/dbraw/zinc/45/76/98/622457698.db2.gz GCKITAOIQLDQDM-SJORKVTESA-N 1 0 301.430 3.129 20 10 DGCDRO COc1cc(C[NH+]2CCC(c3ccccn3)CC2)c(O)cc1C ZINC000768462487 622457975 /nfs/dbraw/zinc/45/79/75/622457975.db2.gz LXCXAFPEQMIVNE-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)cc1 ZINC000768782493 622476956 /nfs/dbraw/zinc/47/69/56/622476956.db2.gz IYXAIPGMSCBORM-UHFFFAOYSA-N 1 0 319.788 3.464 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)cc1 ZINC000768841648 622480112 /nfs/dbraw/zinc/48/01/12/622480112.db2.gz MHYXOCNXVITZTC-HZPDHXFCSA-N 1 0 316.445 3.238 20 10 DGCDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000768893477 622484153 /nfs/dbraw/zinc/48/41/53/622484153.db2.gz RLOGGSWQCQKSTO-ZDUSSCGKSA-N 1 0 305.805 3.429 20 10 DGCDRO CCOc1cccc(C[N@H+](CC)CCc2ccccn2)c1O ZINC000769035942 622493867 /nfs/dbraw/zinc/49/38/67/622493867.db2.gz ZAVMFSRVVCRMIK-UHFFFAOYSA-N 1 0 300.402 3.251 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000769325900 622517557 /nfs/dbraw/zinc/51/75/57/622517557.db2.gz CNPYXMDUKJXEBE-HXUWFJFHSA-N 1 0 313.489 3.345 20 10 DGCDRO Fc1cc(C[N@@H+]2CCC[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000769329475 622518260 /nfs/dbraw/zinc/51/82/60/622518260.db2.gz LVTROELRDHIAQH-KRWDZBQOSA-N 1 0 304.409 3.037 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cc(F)ccc3F)CC2)c1 ZINC000769426471 622527303 /nfs/dbraw/zinc/52/73/03/622527303.db2.gz BWPHRXPQGIWVBK-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000769447028 622528719 /nfs/dbraw/zinc/52/87/19/622528719.db2.gz RLYCYXKKQUFTJO-ZJUUUORDSA-N 1 0 316.264 3.481 20 10 DGCDRO COc1ccccc1[C@@H]1CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769472667 622531245 /nfs/dbraw/zinc/53/12/45/622531245.db2.gz HVXDVQMGZHQLCY-CQSZACIVSA-N 1 0 313.397 3.399 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)c1 ZINC000769472938 622531551 /nfs/dbraw/zinc/53/15/51/622531551.db2.gz LGXBWMNMTFAVAM-DLBZAZTESA-N 1 0 307.434 3.426 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000769483267 622532228 /nfs/dbraw/zinc/53/22/28/622532228.db2.gz HHPMGUIMRWZUOL-SFHVURJKSA-N 1 0 305.418 3.184 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c(O)c1 ZINC000769484028 622533106 /nfs/dbraw/zinc/53/31/06/622533106.db2.gz JKQGENZKEOTSKE-GOSISDBHSA-N 1 0 305.418 3.184 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC(OCC3CC3)CC2)c(O)c1 ZINC000769502058 622534998 /nfs/dbraw/zinc/53/49/98/622534998.db2.gz TVMCATKZXLQIJR-UHFFFAOYSA-N 1 0 305.418 3.182 20 10 DGCDRO c1ccc(C[C@@H]2CC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000769505527 622535664 /nfs/dbraw/zinc/53/56/64/622535664.db2.gz CVUNOKKVMWWMFP-NRFANRHFSA-N 1 0 322.452 3.340 20 10 DGCDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000770307405 622619696 /nfs/dbraw/zinc/61/96/96/622619696.db2.gz RYRWDNHEUQBCTC-INIZCTEOSA-N 1 0 306.425 3.140 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000770319737 622621266 /nfs/dbraw/zinc/62/12/66/622621266.db2.gz BGCYEBNKSIWDPJ-CZUORRHYSA-N 1 0 317.385 3.082 20 10 DGCDRO Fc1cc(C[N@@H+]2CCCC3(CC3)C2)ccc1N1CCOCC1 ZINC000770674769 622659614 /nfs/dbraw/zinc/65/96/14/622659614.db2.gz MAYNUFBPVVPYIY-UHFFFAOYSA-N 1 0 304.409 3.038 20 10 DGCDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000123838325 622720579 /nfs/dbraw/zinc/72/05/79/622720579.db2.gz NAWMRFNJJSVTBH-RDTXWAMCSA-N 1 0 308.441 3.484 20 10 DGCDRO CC[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccccc1O ZINC000872110204 622812691 /nfs/dbraw/zinc/81/26/91/622812691.db2.gz WSAFDSKHWQCVLU-GFCCVEGCSA-N 1 0 313.323 3.348 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000872111278 622813479 /nfs/dbraw/zinc/81/34/79/622813479.db2.gz CAXZNUJAUDJVSI-NEPJUHHUSA-N 1 0 311.809 3.348 20 10 DGCDRO OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1O)CCC2 ZINC000872757669 622970865 /nfs/dbraw/zinc/97/08/65/622970865.db2.gz JEGFMACDGFYATE-CNUNBNKRSA-N 1 0 301.430 3.006 20 10 DGCDRO C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(N(C)C)cc1 ZINC000773107538 622984804 /nfs/dbraw/zinc/98/48/04/622984804.db2.gz XEYDABVMLORIQN-CQSZACIVSA-N 1 0 310.445 3.313 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3cncc(C)c3)CC2)cc1 ZINC000773125277 622987996 /nfs/dbraw/zinc/98/79/96/622987996.db2.gz ZAWMMVDCOIRCED-UHFFFAOYSA-N 1 0 311.429 3.157 20 10 DGCDRO c1cc2c(s1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000124285058 622992173 /nfs/dbraw/zinc/99/21/73/622992173.db2.gz MZYHMHRPVMZJQW-UHFFFAOYSA-N 1 0 314.454 3.143 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(O)cc1C ZINC000773256546 623005413 /nfs/dbraw/zinc/00/54/13/623005413.db2.gz CIZOXLAGUOJLKO-HZPDHXFCSA-N 1 0 319.445 3.348 20 10 DGCDRO COCC1(C)CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000773269652 623006801 /nfs/dbraw/zinc/00/68/01/623006801.db2.gz RNKNLHJFXGOSRB-UHFFFAOYSA-N 1 0 300.402 3.189 20 10 DGCDRO COCCCOCC[N@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000773270342 623007217 /nfs/dbraw/zinc/00/72/17/623007217.db2.gz GIMXFTXVOAWVCF-UHFFFAOYSA-N 1 0 323.477 3.483 20 10 DGCDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000773426886 623025968 /nfs/dbraw/zinc/02/59/68/623025968.db2.gz IKVUOZJYJMSTSL-UHFFFAOYSA-N 1 0 305.418 3.223 20 10 DGCDRO CC[C@H](CSC)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873100811 623036769 /nfs/dbraw/zinc/03/67/69/623036769.db2.gz FJUUEQUMFNLOTE-MRXNPFEDSA-N 1 0 319.474 3.171 20 10 DGCDRO CCCOc1ccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)cc1C ZINC000873119010 623040067 /nfs/dbraw/zinc/04/00/67/623040067.db2.gz AYRSVWTZYJJQSA-UHFFFAOYSA-N 1 0 318.461 3.274 20 10 DGCDRO COc1ccc(C[NH2+]C[C@]2(C)CC2(F)F)cc1Cn1cccn1 ZINC000873138828 623046997 /nfs/dbraw/zinc/04/69/97/623046997.db2.gz XGQFGMJZDBAHMV-INIZCTEOSA-N 1 0 321.371 3.075 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(C)o2)cc1Cn1cccn1 ZINC000873150739 623050621 /nfs/dbraw/zinc/05/06/21/623050621.db2.gz PEDOHORXBGEBHQ-UHFFFAOYSA-N 1 0 311.385 3.131 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC(OCCCOC)CC2)cc1 ZINC000773753661 623067612 /nfs/dbraw/zinc/06/76/12/623067612.db2.gz MNCHSIPIMNQRME-UHFFFAOYSA-N 1 0 320.477 3.160 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000773757966 623069228 /nfs/dbraw/zinc/06/92/28/623069228.db2.gz SPOUCSZEJCBGNZ-HUUCEWRRSA-N 1 0 316.367 3.030 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000773757963 623069278 /nfs/dbraw/zinc/06/92/78/623069278.db2.gz SPOUCSZEJCBGNZ-CABCVRRESA-N 1 0 316.367 3.030 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000773832306 623075639 /nfs/dbraw/zinc/07/56/39/623075639.db2.gz OSPWOZNYJMAJKO-ROUUACIJSA-N 1 0 304.478 3.372 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000873235084 623085446 /nfs/dbraw/zinc/08/54/46/623085446.db2.gz KRGIGLWMBOWITO-CJNGLKHVSA-N 1 0 302.393 3.142 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000873251612 623092049 /nfs/dbraw/zinc/09/20/49/623092049.db2.gz XKNITHVNWTYBON-PLMOITTCSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000873271386 623099978 /nfs/dbraw/zinc/09/99/78/623099978.db2.gz HVPZSPLCWYOGNR-WDEREUQCSA-N 1 0 316.367 3.450 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC000774471179 623149879 /nfs/dbraw/zinc/14/98/79/623149879.db2.gz KUPJGKCYAWMLMP-QZTJIDSGSA-N 1 0 318.461 3.479 20 10 DGCDRO C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000774498027 623151704 /nfs/dbraw/zinc/15/17/04/623151704.db2.gz PVWYOWUOVUFYMB-NSHDSACASA-N 1 0 310.388 3.195 20 10 DGCDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000774833921 623197113 /nfs/dbraw/zinc/19/71/13/623197113.db2.gz WNAKWHATCWDBOS-YGRLFVJLSA-N 1 0 314.223 3.059 20 10 DGCDRO CCC(CC)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000774834603 623197309 /nfs/dbraw/zinc/19/73/09/623197309.db2.gz GICZBWDVIUCLBO-UHFFFAOYSA-N 1 0 308.378 3.462 20 10 DGCDRO COc1c(O)c(C[N@H+](C)Cc2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000774875547 623203074 /nfs/dbraw/zinc/20/30/74/623203074.db2.gz KNKBROMXNKLJNC-UHFFFAOYSA-N 1 0 322.386 3.311 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1O ZINC000775128395 623233941 /nfs/dbraw/zinc/23/39/41/623233941.db2.gz ASEAHWLHCRWWMA-ZNMIVQPWSA-N 1 0 324.424 3.409 20 10 DGCDRO CN(C)c1ccc(CN(CCC[NH3+])c2cccc(F)c2)cc1 ZINC000020237238 623238194 /nfs/dbraw/zinc/23/81/94/623238194.db2.gz FVMFQAVZEFTEKU-UHFFFAOYSA-N 1 0 301.409 3.247 20 10 DGCDRO CC[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+](CC)CC ZINC000775406611 623270685 /nfs/dbraw/zinc/27/06/85/623270685.db2.gz YUIHIYMDNOBKQU-PBHICJAKSA-N 1 0 305.466 3.050 20 10 DGCDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000775412717 623272023 /nfs/dbraw/zinc/27/20/23/623272023.db2.gz OJMHSYKNWLHQFM-MRXNPFEDSA-N 1 0 316.357 3.420 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)COCC(C)C)c1cc(Cl)ccc1O ZINC000775487815 623279287 /nfs/dbraw/zinc/27/92/87/623279287.db2.gz DXJDXVGEWQRERF-UKRRQHHQSA-N 1 0 315.841 3.120 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Cl)ccc1O ZINC000775522393 623283625 /nfs/dbraw/zinc/28/36/25/623283625.db2.gz OIQKZZAUSSJHST-GXTWGEPZSA-N 1 0 305.809 3.367 20 10 DGCDRO CC[C@@H]([NH2+]CCCNC(=O)C(C)C)c1cc(Cl)ccc1O ZINC000775525114 623284833 /nfs/dbraw/zinc/28/48/33/623284833.db2.gz XZSIEGQHCBHMMB-CQSZACIVSA-N 1 0 312.841 3.249 20 10 DGCDRO CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775648238 623303891 /nfs/dbraw/zinc/30/38/91/623303891.db2.gz RGEJGRJBZXPFIS-UHFFFAOYSA-N 1 0 314.832 3.489 20 10 DGCDRO COc1ccc(O)c(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000775659598 623307721 /nfs/dbraw/zinc/30/77/21/623307721.db2.gz YVFUUVRNJGGDNQ-HLLBOEOZSA-N 1 0 318.461 3.238 20 10 DGCDRO COc1ccc(O)c(CN(Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000775675901 623311419 /nfs/dbraw/zinc/31/14/19/623311419.db2.gz DYJJUGATFUMYQL-UHFFFAOYSA-N 1 0 323.396 3.326 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1 ZINC000775740557 623323180 /nfs/dbraw/zinc/32/31/80/623323180.db2.gz OBKGHFFBPHAGCQ-ORAYPTAESA-N 1 0 313.397 3.225 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000775817087 623336442 /nfs/dbraw/zinc/33/64/42/623336442.db2.gz AIPZNTOACZWBAY-UHFFFAOYSA-N 1 0 313.445 3.118 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C2(c3ccccc3)CCOCC2)c1 ZINC000776174885 623390095 /nfs/dbraw/zinc/39/00/95/623390095.db2.gz JFSFBIQXQRASHN-UHFFFAOYSA-N 1 0 313.397 3.196 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)Oc2ccccc2)c1 ZINC000776177671 623391851 /nfs/dbraw/zinc/39/18/51/623391851.db2.gz SIVYBGWEZICQJK-UHFFFAOYSA-N 1 0 301.386 3.348 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]CCOC2CCC2)c1O ZINC000776223129 623399781 /nfs/dbraw/zinc/39/97/81/623399781.db2.gz QVJZCVFJSXBLSZ-UHFFFAOYSA-N 1 0 314.223 3.122 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000776231983 623400285 /nfs/dbraw/zinc/40/02/85/623400285.db2.gz RZYFVVKACJSHQG-INIZCTEOSA-N 1 0 303.406 3.011 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCC(F)(F)C2)cc1OC ZINC000776249219 623400937 /nfs/dbraw/zinc/40/09/37/623400937.db2.gz SRKOYYYHUXPJNV-LLVKDONJSA-N 1 0 301.333 3.077 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]CCc2cnc(C3CC3)nc2)c1O ZINC000776252669 623401770 /nfs/dbraw/zinc/40/17/70/623401770.db2.gz FJZBEGFFQORHAK-UHFFFAOYSA-N 1 0 317.820 3.354 20 10 DGCDRO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000875190370 623425889 /nfs/dbraw/zinc/42/58/89/623425889.db2.gz BIQXWMLDFKYZEY-AWEZNQCLSA-N 1 0 319.449 3.017 20 10 DGCDRO CCC1(CC)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000776771655 623461768 /nfs/dbraw/zinc/46/17/68/623461768.db2.gz LPHLURXJYXLNTM-INIZCTEOSA-N 1 0 305.418 3.220 20 10 DGCDRO COc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000776773615 623461831 /nfs/dbraw/zinc/46/18/31/623461831.db2.gz UDIPIRLXDZGEQS-KRWDZBQOSA-N 1 0 319.445 3.309 20 10 DGCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(C)c2O)C1 ZINC000777221376 623506611 /nfs/dbraw/zinc/50/66/11/623506611.db2.gz GTCYRHHVFNBXOG-GDBMZVCRSA-N 1 0 320.433 3.047 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000777222783 623507062 /nfs/dbraw/zinc/50/70/62/623507062.db2.gz SRZJQZLHNQSSGR-GOSISDBHSA-N 1 0 320.396 3.098 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2(CC(=O)OC)CCC2)cc1F ZINC000777439428 623524686 /nfs/dbraw/zinc/52/46/86/623524686.db2.gz GNDZPBYVTDSTLL-UHFFFAOYSA-N 1 0 322.424 3.247 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777438414 623524720 /nfs/dbraw/zinc/52/47/20/623524720.db2.gz MLYIGQDIPGWXOG-KRWDZBQOSA-N 1 0 321.779 3.278 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c1O ZINC000790483895 625659848 /nfs/dbraw/zinc/65/98/48/625659848.db2.gz ACQRKWLMUNPLNE-MRXNPFEDSA-N 1 0 306.450 3.001 20 10 DGCDRO COCCc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000876511250 623631314 /nfs/dbraw/zinc/63/13/14/623631314.db2.gz BXYXZXKTBFMDTL-UHFFFAOYSA-N 1 0 319.474 3.030 20 10 DGCDRO CC[C@@](C)(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC000876531421 623635672 /nfs/dbraw/zinc/63/56/72/623635672.db2.gz FXPVABHACSTLKH-WMZOPIPTSA-N 1 0 307.434 3.188 20 10 DGCDRO Cc1cccc(O)c1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000876536604 623637202 /nfs/dbraw/zinc/63/72/02/623637202.db2.gz DEJWHANOBMCPPZ-UHFFFAOYSA-N 1 0 312.413 3.388 20 10 DGCDRO CC[NH+](CC)CC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876576067 623649892 /nfs/dbraw/zinc/64/98/92/623649892.db2.gz DNEVDMOYEIZCNJ-UHFFFAOYSA-N 1 0 312.404 3.224 20 10 DGCDRO Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c(O)c1 ZINC000876592134 623653972 /nfs/dbraw/zinc/65/39/72/623653972.db2.gz ONTWYDFASZFEIK-UHFFFAOYSA-N 1 0 324.424 3.225 20 10 DGCDRO [O-]c1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000876811589 623714236 /nfs/dbraw/zinc/71/42/36/623714236.db2.gz LNODRYMGUBTMHH-MLGOLLRUSA-N 1 0 322.399 3.119 20 10 DGCDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000779106326 623730109 /nfs/dbraw/zinc/73/01/09/623730109.db2.gz NLQTVVRNXMLRAA-KPZWWZAWSA-N 1 0 319.376 3.406 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c(O)c1 ZINC000876883815 623735275 /nfs/dbraw/zinc/73/52/75/623735275.db2.gz BZSCHRRDYAGAMD-QGZVFWFLSA-N 1 0 302.393 3.232 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c(O)c1 ZINC000876940285 623750695 /nfs/dbraw/zinc/75/06/95/623750695.db2.gz TVVWDAUSRVGPCV-SFHVURJKSA-N 1 0 324.424 3.154 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(C)cccc2O)c(OC)c1OC ZINC000876943697 623751612 /nfs/dbraw/zinc/75/16/12/623751612.db2.gz HLTOZMFYDDJWIJ-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC1(F)F ZINC000876966013 623756349 /nfs/dbraw/zinc/75/63/49/623756349.db2.gz OMERVVOTAVMGDR-DYVFJYSZSA-N 1 0 324.415 3.029 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC1(F)F ZINC000876966014 623756773 /nfs/dbraw/zinc/75/67/73/623756773.db2.gz OMERVVOTAVMGDR-GUYCJALGSA-N 1 0 324.415 3.029 20 10 DGCDRO COc1ccc(CCC[NH2+]Cc2c(C)cccc2O)cc1OC ZINC000876985953 623759944 /nfs/dbraw/zinc/75/99/44/623759944.db2.gz XZCMDIQTTVNFES-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO CCOP(=O)(CCC[NH2+]Cc1ccccc1O)OCC ZINC000876996565 623762668 /nfs/dbraw/zinc/76/26/68/623762668.db2.gz ZVRZHWAEJHIOKG-UHFFFAOYSA-N 1 0 301.323 3.138 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c(O)c1 ZINC000877005752 623764332 /nfs/dbraw/zinc/76/43/32/623764332.db2.gz ANZFSFGWDCMHCB-CYBMUJFWSA-N 1 0 310.397 3.070 20 10 DGCDRO Cc1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000877018373 623767379 /nfs/dbraw/zinc/76/73/79/623767379.db2.gz VJTBQSOPIBESOX-UHFFFAOYSA-N 1 0 320.433 3.190 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000779431907 623769406 /nfs/dbraw/zinc/76/94/06/623769406.db2.gz HSINHZKJUAZGPX-CJNGLKHVSA-N 1 0 311.809 3.257 20 10 DGCDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877083934 623787287 /nfs/dbraw/zinc/78/72/87/623787287.db2.gz IDDRNEXVCPIAEU-OAHLLOKOSA-N 1 0 312.413 3.078 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000790634278 625680689 /nfs/dbraw/zinc/68/06/89/625680689.db2.gz FHJQOCAIIHRIPN-UHFFFAOYSA-N 1 0 314.719 3.332 20 10 DGCDRO COC(=O)c1csc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000877416456 623874992 /nfs/dbraw/zinc/87/49/92/623874992.db2.gz NAXGKIKQXHZNCQ-GFCCVEGCSA-N 1 0 318.442 3.452 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000877460262 623893012 /nfs/dbraw/zinc/89/30/12/623893012.db2.gz RZOICYULMLINGS-IUODEOHRSA-N 1 0 317.351 3.274 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C1CC1 ZINC000877539251 623933140 /nfs/dbraw/zinc/93/31/40/623933140.db2.gz LTLHOXRONPAYCC-LJQANCHMSA-N 1 0 314.473 3.268 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000877542550 623934807 /nfs/dbraw/zinc/93/48/07/623934807.db2.gz TVZGTEALHSMEOK-OAHLLOKOSA-N 1 0 314.404 3.456 20 10 DGCDRO Oc1ccccc1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000780519584 623943186 /nfs/dbraw/zinc/94/31/86/623943186.db2.gz KDGKVEWEBWXUEQ-UHFFFAOYSA-N 1 0 311.360 3.066 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3CC4(C3)CCCCC4)cc2)CC1 ZINC000877580319 623950529 /nfs/dbraw/zinc/95/05/29/623950529.db2.gz QKUHXSNUSOYEQS-UHFFFAOYSA-N 1 0 314.473 3.414 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)[C@H]1C ZINC000877594568 623955844 /nfs/dbraw/zinc/95/58/44/623955844.db2.gz VGRHNYYHXOMJJL-PMPSAXMXSA-N 1 0 302.462 3.124 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CS[C@H](C)C3)C2)cc1 ZINC000877597886 623956633 /nfs/dbraw/zinc/95/66/33/623956633.db2.gz BQVSDEXWIOWEJO-KFWWJZLASA-N 1 0 306.475 3.005 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@H]3CC3(Cl)Cl)C2)cc1 ZINC000877621392 623965869 /nfs/dbraw/zinc/96/58/69/623965869.db2.gz VUUNGCRTIVCYJU-VXGBXAGGSA-N 1 0 315.244 3.057 20 10 DGCDRO C[C@@]1(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1(F)F ZINC000877630269 623969889 /nfs/dbraw/zinc/96/98/89/623969889.db2.gz GGSRIAIZEHZOFW-QGZVFWFLSA-N 1 0 324.415 3.173 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)CC2(C)OCCO2)cc1Cl ZINC000877670412 623985163 /nfs/dbraw/zinc/98/51/63/623985163.db2.gz PAMODZAEZRGBSD-LLVKDONJSA-N 1 0 313.825 3.233 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780788943 623985505 /nfs/dbraw/zinc/98/55/05/623985505.db2.gz DWHROFUTAQMBTE-OAHLLOKOSA-N 1 0 313.397 3.302 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000877672383 623986055 /nfs/dbraw/zinc/98/60/55/623986055.db2.gz DBUJPXMLHMEFID-SJORKVTESA-N 1 0 313.397 3.099 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877674906 623987853 /nfs/dbraw/zinc/98/78/53/623987853.db2.gz WSABHBQKQNHTOD-PMACEKPBSA-N 1 0 310.441 3.451 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C(=O)OC)co2)cc1 ZINC000877698978 623995636 /nfs/dbraw/zinc/99/56/36/623995636.db2.gz TUMYGRCHILKPGJ-UHFFFAOYSA-N 1 0 316.401 3.202 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C[C@@H]1C ZINC000877757056 624023246 /nfs/dbraw/zinc/02/32/46/624023246.db2.gz CZOWFVNGMCHQJQ-ZQDZILKHSA-N 1 0 305.418 3.411 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000877761389 624025717 /nfs/dbraw/zinc/02/57/17/624025717.db2.gz VDIJLROHKRSXLR-CHWSQXEVSA-N 1 0 301.308 3.388 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c1 ZINC000877762240 624025742 /nfs/dbraw/zinc/02/57/42/624025742.db2.gz DRGQVYZWRBRLBD-KRWDZBQOSA-N 1 0 309.413 3.080 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1)CCCC2 ZINC000781150921 624030579 /nfs/dbraw/zinc/03/05/79/624030579.db2.gz GOGLLQZQYWRIHK-OAHLLOKOSA-N 1 0 311.372 3.475 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000877825421 624058119 /nfs/dbraw/zinc/05/81/19/624058119.db2.gz ZYEVIMBVCSHARO-YPMHNXCESA-N 1 0 303.324 3.242 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCSC[C@H]2C)c1 ZINC000781907898 624169071 /nfs/dbraw/zinc/16/90/71/624169071.db2.gz HEXBMYAEHSWMPK-SNVBAGLBSA-N 1 0 316.264 3.400 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCCOC[C@@H]2C)c1 ZINC000781914740 624170567 /nfs/dbraw/zinc/17/05/67/624170567.db2.gz ZHWWCGRPKKCQFR-NSHDSACASA-N 1 0 314.223 3.074 20 10 DGCDRO C[C@H]1OCC[C@@H]1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000878240775 624224213 /nfs/dbraw/zinc/22/42/13/624224213.db2.gz KUELRRIMHBBOSV-HUUCEWRRSA-N 1 0 301.386 3.412 20 10 DGCDRO CC(C)[C@@H](O)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000878241244 624225057 /nfs/dbraw/zinc/22/50/57/624225057.db2.gz SJOCPLQGBPZQIT-KRWDZBQOSA-N 1 0 303.402 3.394 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c1O ZINC000782286040 624232881 /nfs/dbraw/zinc/23/28/81/624232881.db2.gz BPXGKVOGYFGZFT-AWEZNQCLSA-N 1 0 313.397 3.492 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2cccnc2)C2CC2)c1O ZINC000782530792 624260458 /nfs/dbraw/zinc/26/04/58/624260458.db2.gz LZXDIFVVXBJACM-KRWDZBQOSA-N 1 0 314.360 3.370 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cnccc2C)c1O ZINC000783003114 624299529 /nfs/dbraw/zinc/29/95/29/624299529.db2.gz XQJWXTPDBAGSBO-NSHDSACASA-N 1 0 302.349 3.288 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CCCC1 ZINC000783229855 624327595 /nfs/dbraw/zinc/32/75/95/624327595.db2.gz JAPCDMJMCPVHMD-GOSISDBHSA-N 1 0 302.462 3.364 20 10 DGCDRO COC[C@H]([NH2+]CCCSc1nccs1)C1CCCC1 ZINC000783245525 624330127 /nfs/dbraw/zinc/33/01/27/624330127.db2.gz NZKHYDGZGKALDM-ZDUSSCGKSA-N 1 0 300.493 3.420 20 10 DGCDRO COCCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000783503456 624359156 /nfs/dbraw/zinc/35/91/56/624359156.db2.gz DRTFGQIOHUSEOP-AWEZNQCLSA-N 1 0 301.386 3.268 20 10 DGCDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccccc1O ZINC000783504771 624360081 /nfs/dbraw/zinc/36/00/81/624360081.db2.gz KROLCOLFVPZQDF-GFCCVEGCSA-N 1 0 318.804 3.126 20 10 DGCDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC000784622538 624560200 /nfs/dbraw/zinc/56/02/00/624560200.db2.gz ATWNIUJDVJKJQU-GOSISDBHSA-N 1 0 310.441 3.408 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](CCOC)Cc2ccco2)c1O ZINC000784624680 624560281 /nfs/dbraw/zinc/56/02/81/624560281.db2.gz FUVHAASFBXIBTB-OAHLLOKOSA-N 1 0 319.401 3.121 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC1CCC(C)CC1 ZINC000879649735 624622912 /nfs/dbraw/zinc/62/29/12/624622912.db2.gz TXJZJNACSMVBOR-PIOWNMBXSA-N 1 0 304.434 3.126 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)c([N+](=O)[O-])cc1F ZINC000879649394 624623057 /nfs/dbraw/zinc/62/30/57/624623057.db2.gz QDDSYSBTPJMFKU-SNVBAGLBSA-N 1 0 320.320 3.299 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1c2ccccc2C[C@H]1C ZINC000879651550 624624162 /nfs/dbraw/zinc/62/41/62/624624162.db2.gz ASEAHWLHCRWWMA-QLFBSQMISA-N 1 0 324.424 3.409 20 10 DGCDRO COC(=O)c1oc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1C ZINC000879650615 624624388 /nfs/dbraw/zinc/62/43/88/624624388.db2.gz JRJRIKJVAKZZKV-RYUDHWBXSA-N 1 0 303.358 3.492 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1O ZINC000879651558 624624514 /nfs/dbraw/zinc/62/45/14/624624514.db2.gz AVFSRFOQBLUHCT-HNNXBMFYSA-N 1 0 324.424 3.234 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(Cl)cn1 ZINC000879650973 624624650 /nfs/dbraw/zinc/62/46/50/624624650.db2.gz AOTGOOWKNDMBML-QWRGUYRKSA-N 1 0 319.792 3.118 20 10 DGCDRO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1O ZINC000879651059 624624656 /nfs/dbraw/zinc/62/46/56/624624656.db2.gz FYEMOLAMTREINZ-UGSOOPFHSA-N 1 0 310.397 3.063 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)NCC1CCCCC1)c1ccccc1O ZINC000879651198 624624681 /nfs/dbraw/zinc/62/46/81/624624681.db2.gz MGBZXVVMSONLHT-AWEZNQCLSA-N 1 0 304.434 3.129 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000879653992 624626174 /nfs/dbraw/zinc/62/61/74/624626174.db2.gz ZXCQMSJMXKTYFX-XGUBFFRZSA-N 1 0 304.434 3.221 20 10 DGCDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC000879652389 624626535 /nfs/dbraw/zinc/62/65/35/624626535.db2.gz ZZKLODPQNGQYRZ-LBPRGKRZSA-N 1 0 302.330 3.030 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC1(C)C ZINC000785427477 624664760 /nfs/dbraw/zinc/66/47/60/624664760.db2.gz XQYSBWSEIUQWPD-HIFRSBDPSA-N 1 0 306.425 3.187 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cccc(Cl)n3)cc2)CC1 ZINC000785722875 624717408 /nfs/dbraw/zinc/71/74/08/624717408.db2.gz PSPGHZNVXIIJHI-UHFFFAOYSA-N 1 0 316.836 3.099 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000786578733 624925397 /nfs/dbraw/zinc/92/53/97/624925397.db2.gz IDBHCXQQYAVWAI-KRWDZBQOSA-N 1 0 319.832 3.356 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000128511233 624983401 /nfs/dbraw/zinc/98/34/01/624983401.db2.gz IUSROHPSZLCAKH-UHFFFAOYSA-N 1 0 319.788 3.497 20 10 DGCDRO COCC[N@H+](Cc1scnc1C)Cc1cc(C)c(C)cc1O ZINC000787311681 624999417 /nfs/dbraw/zinc/99/94/17/624999417.db2.gz YEEGDRLBYJPHPB-UHFFFAOYSA-N 1 0 320.458 3.423 20 10 DGCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC000787421493 625008586 /nfs/dbraw/zinc/00/85/86/625008586.db2.gz SGNGOPDWTUHEML-YJBOKZPZSA-N 1 0 316.445 3.060 20 10 DGCDRO COc1ccc(N(C)C[C@H]2CCCC[N@@H+]2C(C)C)c(OC)c1 ZINC000787732695 625043345 /nfs/dbraw/zinc/04/33/45/625043345.db2.gz ZASLTUATZXJFBT-OAHLLOKOSA-N 1 0 306.450 3.403 20 10 DGCDRO C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C[NH+]1CCCCC1 ZINC000790947910 625721023 /nfs/dbraw/zinc/72/10/23/625721023.db2.gz CQIDJRUTHBELAK-GFCCVEGCSA-N 1 0 314.832 3.396 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000790992262 625733265 /nfs/dbraw/zinc/73/32/65/625733265.db2.gz WBJAIFOXLWVIHT-HNNXBMFYSA-N 1 0 312.461 3.455 20 10 DGCDRO CN1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@@H]1c1ccccc1 ZINC000883077304 625918266 /nfs/dbraw/zinc/91/82/66/625918266.db2.gz FOCHUTZDJPVNJB-IRXDYDNUSA-N 1 0 318.367 3.205 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)cc1F ZINC000792200035 625924643 /nfs/dbraw/zinc/92/46/43/625924643.db2.gz GJTHGSPQBIETRB-LSDHHAIUSA-N 1 0 322.424 3.103 20 10 DGCDRO CC[C@](C)(CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796284538 626035346 /nfs/dbraw/zinc/03/53/46/626035346.db2.gz LLHKAFOPFBDIFR-OAQYLSRUSA-N 1 0 324.468 3.500 20 10 DGCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000796306931 626036943 /nfs/dbraw/zinc/03/69/43/626036943.db2.gz GLJVCLDNABPHFF-FQEVSTJZSA-N 1 0 322.452 3.110 20 10 DGCDRO c1ccc(CN2CCc3cc(C[NH2+][C@H]4CCOC4)ccc32)cc1 ZINC000796338227 626039898 /nfs/dbraw/zinc/03/98/98/626039898.db2.gz JIPGHBGATKOKGE-IBGZPJMESA-N 1 0 308.425 3.128 20 10 DGCDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000796527284 626059239 /nfs/dbraw/zinc/05/92/39/626059239.db2.gz XSMSGESTKKFABW-OAQYLSRUSA-N 1 0 323.845 3.214 20 10 DGCDRO COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000796739311 626078054 /nfs/dbraw/zinc/07/80/54/626078054.db2.gz QRRKEHGKPAOHKT-LLVKDONJSA-N 1 0 317.410 3.320 20 10 DGCDRO CC[C@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1ccc(C)cc1O ZINC000797094799 626112701 /nfs/dbraw/zinc/11/27/01/626112701.db2.gz YOUMGCIRPSOVDL-INIZCTEOSA-N 1 0 320.433 3.220 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)C1 ZINC000798003965 626188791 /nfs/dbraw/zinc/18/87/91/626188791.db2.gz UJCLRCSGLWNJLQ-YCPHGPKFSA-N 1 0 305.418 3.473 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc2c1OCC2 ZINC000798494814 626220838 /nfs/dbraw/zinc/22/08/38/626220838.db2.gz SXVKHDBKGBFYKI-KBAYOESNSA-N 1 0 301.430 3.306 20 10 DGCDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000798503541 626222067 /nfs/dbraw/zinc/22/20/67/626222067.db2.gz MINONYPEJQAYMC-GOEBONIOSA-N 1 0 306.425 3.188 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1Cc3ccc(Cl)cc3C1)OCO2 ZINC000800286613 626348594 /nfs/dbraw/zinc/34/85/94/626348594.db2.gz NPAKBVZJQJDTRW-CQSZACIVSA-N 1 0 317.772 3.031 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)c(O)c1C ZINC000800501150 626365116 /nfs/dbraw/zinc/36/51/16/626365116.db2.gz YFKNRCHIFAKLSJ-CYBMUJFWSA-N 1 0 302.422 3.206 20 10 DGCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000800898129 626383676 /nfs/dbraw/zinc/38/36/76/626383676.db2.gz RZDKHDYEVZCLPS-QGZVFWFLSA-N 1 0 305.805 3.486 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)ccc1N1CCOCC1 ZINC000800968131 626387124 /nfs/dbraw/zinc/38/71/24/626387124.db2.gz XQAHQCOIJXQIMH-SJLPKXTDSA-N 1 0 318.436 3.331 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000800968939 626387256 /nfs/dbraw/zinc/38/72/56/626387256.db2.gz XVUFQNOEPBLECQ-SXLOBPIMSA-N 1 0 314.473 3.174 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)Cc1cnc(OC)nc1C ZINC000801596335 626411210 /nfs/dbraw/zinc/41/12/10/626411210.db2.gz VNQSAMSHDQXFHL-UHFFFAOYSA-N 1 0 315.417 3.302 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000801595192 626411332 /nfs/dbraw/zinc/41/13/32/626411332.db2.gz IXYMDULUAXZSLA-HNNXBMFYSA-N 1 0 303.402 3.090 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCCCC1 ZINC000801598631 626411907 /nfs/dbraw/zinc/41/19/07/626411907.db2.gz DHIVXQMAWYXCEU-MRXNPFEDSA-N 1 0 318.461 3.395 20 10 DGCDRO COc1cc(O)c(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000802659982 626565712 /nfs/dbraw/zinc/56/57/12/626565712.db2.gz TZDMSOCCBHQAKI-STQMWFEESA-N 1 0 323.433 3.093 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000883263427 626628878 /nfs/dbraw/zinc/62/88/78/626628878.db2.gz SKCYKFLMAYHCRJ-HZPDHXFCSA-N 1 0 319.445 3.327 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(N(C)C)cc1 ZINC000883278070 626634512 /nfs/dbraw/zinc/63/45/12/626634512.db2.gz LJINUPAKUBKWSB-VQIMIIECSA-N 1 0 316.445 3.238 20 10 DGCDRO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131704402 626671175 /nfs/dbraw/zinc/67/11/75/626671175.db2.gz UMQQAMLCTDDCBK-MRXNPFEDSA-N 1 0 317.477 3.023 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC3(F)F)CC2)cc1 ZINC000806180209 626704843 /nfs/dbraw/zinc/70/48/43/626704843.db2.gz MJRJMHPUQNZVOM-MRXNPFEDSA-N 1 0 310.388 3.441 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000132400910 626718145 /nfs/dbraw/zinc/71/81/45/626718145.db2.gz SCSVLUXSSCSUGF-CQSZACIVSA-N 1 0 309.381 3.170 20 10 DGCDRO CC[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000132906647 626749833 /nfs/dbraw/zinc/74/98/33/626749833.db2.gz OJOUYAGMFBTHSP-INIZCTEOSA-N 1 0 321.465 3.318 20 10 DGCDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C1=CC(=O)CS1)[NH+](C)C ZINC000807491711 626759036 /nfs/dbraw/zinc/75/90/36/626759036.db2.gz ADSRFQUZTUABJE-LRDDRELGSA-N 1 0 318.442 3.183 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1C ZINC000840122424 626774418 /nfs/dbraw/zinc/77/44/18/626774418.db2.gz DBUFXZRWMOELNA-LRDDRELGSA-N 1 0 307.434 3.252 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1CC(C)(C)CC1=O ZINC000808142383 626797472 /nfs/dbraw/zinc/79/74/72/626797472.db2.gz PBRXBBMIMRXQNF-UHFFFAOYSA-N 1 0 317.477 3.179 20 10 DGCDRO COc1cc(C[N@@H+]2CCc3cccc(OC)c3C2)c(O)cc1C ZINC000840137472 626825068 /nfs/dbraw/zinc/82/50/68/626825068.db2.gz WQUOSVHWEKAPHY-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO CO[C@H]1C[C@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C12CCC2 ZINC000840138064 626826226 /nfs/dbraw/zinc/82/62/26/626826226.db2.gz CKOSAQLZHKUSFY-ROUUACIJSA-N 1 0 312.413 3.330 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)c1O ZINC000808677519 626848290 /nfs/dbraw/zinc/84/82/90/626848290.db2.gz BGBMILPXQHZWCH-CYBMUJFWSA-N 1 0 324.852 3.407 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)Cc2cnccn2)c1O ZINC000808683410 626849545 /nfs/dbraw/zinc/84/95/45/626849545.db2.gz FPUCSVFKHVHZOW-VXGBXAGGSA-N 1 0 305.809 3.426 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O ZINC000808706554 626851999 /nfs/dbraw/zinc/85/19/99/626851999.db2.gz MRSOKLBOHNJPGW-VDYMJLGFSA-N 1 0 322.836 3.014 20 10 DGCDRO COCCn1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000808717458 626853123 /nfs/dbraw/zinc/85/31/23/626853123.db2.gz IYMTZADZSKSUNG-GFCCVEGCSA-N 1 0 323.824 3.048 20 10 DGCDRO COc1cc(C)cc(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c1O ZINC000840143721 626857704 /nfs/dbraw/zinc/85/77/04/626857704.db2.gz XGMYWQQADWRJCG-HOTGVXAUSA-N 1 0 305.418 3.099 20 10 DGCDRO COc1cc(C)cc(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c1O ZINC000840143722 626857886 /nfs/dbraw/zinc/85/78/86/626857886.db2.gz XGMYWQQADWRJCG-HZPDHXFCSA-N 1 0 305.418 3.099 20 10 DGCDRO CC(C)[N@H+](CCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809541272 626917538 /nfs/dbraw/zinc/91/75/38/626917538.db2.gz HRERZHXBSLDVIX-UHFFFAOYSA-N 1 0 324.468 3.452 20 10 DGCDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000809642310 626931802 /nfs/dbraw/zinc/93/18/02/626931802.db2.gz DSUYQZZRPVXVAP-KRWDZBQOSA-N 1 0 315.413 3.174 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000809654494 626933250 /nfs/dbraw/zinc/93/32/50/626933250.db2.gz FTNQEMSSGQAJOQ-CABCVRRESA-N 1 0 316.367 3.472 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2C)c(O)c1 ZINC000809658043 626933633 /nfs/dbraw/zinc/93/36/33/626933633.db2.gz BGQQJOSIYPOOFF-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F ZINC000809697884 626937905 /nfs/dbraw/zinc/93/79/05/626937905.db2.gz QYTDQXLUGSSBAT-JQWIXIFHSA-N 1 0 323.742 3.038 20 10 DGCDRO CCC[N@H+](CCN1CCCC1)Cc1cccc(OCC)c1O ZINC000809700781 626938810 /nfs/dbraw/zinc/93/88/10/626938810.db2.gz OASXBYNJDUQECZ-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809705022 626939404 /nfs/dbraw/zinc/93/94/04/626939404.db2.gz MCFZWPLHPPIZND-PBWFPOADSA-N 1 0 312.816 3.242 20 10 DGCDRO C[C@@H](CO)[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809742511 626944613 /nfs/dbraw/zinc/94/46/13/626944613.db2.gz AMCUKCQQDSYPJE-INIZCTEOSA-N 1 0 310.441 3.062 20 10 DGCDRO Cc1cccc(CN(CC[NH+](C)C)Cc2cc(F)ccc2O)c1 ZINC000809741817 626944772 /nfs/dbraw/zinc/94/47/72/626944772.db2.gz XKWNOFGHRKRZBB-UHFFFAOYSA-N 1 0 316.420 3.404 20 10 DGCDRO COCC[N@H+](Cc1cccnc1)Cc1cc(Cl)ccc1O ZINC000809740693 626945068 /nfs/dbraw/zinc/94/50/68/626945068.db2.gz ARRYEILXFIKALW-UHFFFAOYSA-N 1 0 306.793 3.089 20 10 DGCDRO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000809749138 626946384 /nfs/dbraw/zinc/94/63/84/626946384.db2.gz KJQMFWSSYPCRKG-LBPRGKRZSA-N 1 0 309.381 3.085 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(O)c1 ZINC000809758692 626948271 /nfs/dbraw/zinc/94/82/71/626948271.db2.gz TXVYTQMQRBFDGZ-JKSUJKDBSA-N 1 0 319.445 3.430 20 10 DGCDRO CCOCc1cc(CN[C@@H](C)C[N@H+](C)C(C)C)ccc1OC ZINC000810163257 626982881 /nfs/dbraw/zinc/98/28/81/626982881.db2.gz NCVVBUUYWVQLTO-HNNXBMFYSA-N 1 0 308.466 3.050 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1C ZINC000810165606 626983597 /nfs/dbraw/zinc/98/35/97/626983597.db2.gz XCQBHISVEHDIET-AZUAARDMSA-N 1 0 311.425 3.259 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)OCCc3sccc32)cc1 ZINC000810170604 626983799 /nfs/dbraw/zinc/98/37/99/626983799.db2.gz NTMISOGALSHINP-SFHVURJKSA-N 1 0 316.470 3.392 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810216337 626988984 /nfs/dbraw/zinc/98/89/84/626988984.db2.gz SZLQRDYUETZFQD-GWCFXTLKSA-N 1 0 304.356 3.402 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](COC)OC)c1ccc(C(F)(F)F)cc1O ZINC000810236103 626991304 /nfs/dbraw/zinc/99/13/04/626991304.db2.gz YLQUPXZTWQQQKS-WCQYABFASA-N 1 0 321.339 3.113 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](COC)[C@H]2CCCOC2)cc1C ZINC000886355636 627141947 /nfs/dbraw/zinc/14/19/47/627141947.db2.gz LFNWIZYZGVCXGB-ZWKOTPCHSA-N 1 0 321.461 3.315 20 10 DGCDRO Cc1nc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)[nH]c1C ZINC000886662273 627183315 /nfs/dbraw/zinc/18/33/15/627183315.db2.gz AJUARRYJNDFYKC-UHFFFAOYSA-N 1 0 312.461 3.472 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2F)c(O)c1 ZINC000886674617 627186982 /nfs/dbraw/zinc/18/69/82/627186982.db2.gz OKXRJQHQDLCKAI-GDBMZVCRSA-N 1 0 317.404 3.402 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cc(F)ccc2OC)c1 ZINC000886724192 627197723 /nfs/dbraw/zinc/19/77/23/627197723.db2.gz ZJLLCKGTHZEJAZ-LBPRGKRZSA-N 1 0 319.376 3.442 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1ccccc1O ZINC000886771135 627202956 /nfs/dbraw/zinc/20/29/56/627202956.db2.gz CRBNQHLPGZWRBU-PYOGLGTISA-N 1 0 305.418 3.015 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@@H]1CCCOC1 ZINC000886789590 627204925 /nfs/dbraw/zinc/20/49/25/627204925.db2.gz YHTHCKAVSLMYBZ-ZOWXZIJZSA-N 1 0 313.825 3.138 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H]1CCCOC1 ZINC000886789278 627204997 /nfs/dbraw/zinc/20/49/97/627204997.db2.gz RHWRWQKMFYXZQA-ZOWXZIJZSA-N 1 0 313.825 3.138 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512617 627285181 /nfs/dbraw/zinc/28/51/81/627285181.db2.gz HEYJKAJGRRSXCB-MRXNPFEDSA-N 1 0 324.424 3.038 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000811792604 627322687 /nfs/dbraw/zinc/32/26/87/627322687.db2.gz PZOIYQDOJFRWNA-QAPCUYQASA-N 1 0 317.429 3.243 20 10 DGCDRO COCC[C@H]1COCC[N@@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000812297427 627367907 /nfs/dbraw/zinc/36/79/07/627367907.db2.gz HRCAKKKGUNWOOL-INIZCTEOSA-N 1 0 307.434 3.061 20 10 DGCDRO Cn1ncc2ccc(C[NH2+]Cc3c(O)cccc3Cl)cc21 ZINC000812770460 627418403 /nfs/dbraw/zinc/41/84/03/627418403.db2.gz LQWDDIAPSBWLPN-UHFFFAOYSA-N 1 0 301.777 3.222 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]CCCCF)c1O ZINC000812773760 627418949 /nfs/dbraw/zinc/41/89/49/627418949.db2.gz QMIDHDHSWYBGDJ-UHFFFAOYSA-N 1 0 306.175 3.003 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc3c(C)cccn23)c1 ZINC000813331687 627478908 /nfs/dbraw/zinc/47/89/08/627478908.db2.gz RDWGKXQMTBWLJK-ZDUSSCGKSA-N 1 0 311.385 3.208 20 10 DGCDRO CCC(CC)(C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000813793132 627512294 /nfs/dbraw/zinc/51/22/94/627512294.db2.gz JSZAQOXWMKLTDS-UHFFFAOYSA-N 1 0 320.477 3.459 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH+](C1CCC1)C1CCC1 ZINC000814177578 627546736 /nfs/dbraw/zinc/54/67/36/627546736.db2.gz HJWYCTURMBGTCE-UHFFFAOYSA-N 1 0 300.446 3.430 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c(O)c1 ZINC000814178420 627547411 /nfs/dbraw/zinc/54/74/11/627547411.db2.gz PFEQURBYZAFBTR-MRXNPFEDSA-N 1 0 305.418 3.039 20 10 DGCDRO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815061325 627621549 /nfs/dbraw/zinc/62/15/49/627621549.db2.gz QMDSAKXAJYSKIM-LJQANCHMSA-N 1 0 312.461 3.440 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)ccc1N(C)C ZINC000815119891 627630865 /nfs/dbraw/zinc/63/08/65/627630865.db2.gz JWRNWXLXYOWKTK-UHFFFAOYSA-N 1 0 324.424 3.434 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@]2(O)CCCC2(C)C)ccc1OC ZINC000815146183 627637383 /nfs/dbraw/zinc/63/73/83/627637383.db2.gz CDVVTCODQQZEQU-LJQANCHMSA-N 1 0 321.461 3.263 20 10 DGCDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924650388 627662616 /nfs/dbraw/zinc/66/26/16/627662616.db2.gz XWRYRZKGDYZICH-OALUTQOASA-N 1 0 302.462 3.438 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1(Cl)CC1 ZINC000924759427 627677481 /nfs/dbraw/zinc/67/74/81/627677481.db2.gz IZKZTUVQIRDZDR-AWEZNQCLSA-N 1 0 322.880 3.145 20 10 DGCDRO C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815570990 627685481 /nfs/dbraw/zinc/68/54/81/627685481.db2.gz QSBNUAPMOIPHDY-MNOVXSKESA-N 1 0 304.356 3.402 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c(O)c1 ZINC000815571878 627686125 /nfs/dbraw/zinc/68/61/25/627686125.db2.gz PEMQXWDXPRAWDY-QWHCGFSZSA-N 1 0 316.367 3.296 20 10 DGCDRO CN1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815576536 627686465 /nfs/dbraw/zinc/68/64/65/627686465.db2.gz SHYCMXCRKFBHHF-MJGOQNOKSA-N 1 0 310.441 3.360 20 10 DGCDRO OCC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815585411 627687986 /nfs/dbraw/zinc/68/79/86/627687986.db2.gz HCRNRJYMQRPVBS-GOSISDBHSA-N 1 0 311.425 3.428 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)c(O)c1 ZINC000815589295 627688268 /nfs/dbraw/zinc/68/82/68/627688268.db2.gz OGVBZJYNMGSILV-HUUCEWRRSA-N 1 0 303.402 3.104 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)ccc21 ZINC000924870942 627688882 /nfs/dbraw/zinc/68/88/82/627688882.db2.gz MNWLDVXWGQLWMV-ICSRJNTNSA-N 1 0 314.473 3.364 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000815596950 627689164 /nfs/dbraw/zinc/68/91/64/627689164.db2.gz JCGYPUCXAOIINA-CVEARBPZSA-N 1 0 319.445 3.388 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000815632420 627692951 /nfs/dbraw/zinc/69/29/51/627692951.db2.gz MPMBSQPCWZTYFU-JKSUJKDBSA-N 1 0 319.493 3.346 20 10 DGCDRO Oc1c(C[NH+]2CCN(c3ccccn3)CC2)ccc2ccccc21 ZINC000816481510 627795410 /nfs/dbraw/zinc/79/54/10/627795410.db2.gz YYTGVCVYXVZBDA-UHFFFAOYSA-N 1 0 319.408 3.263 20 10 DGCDRO CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816493471 627796909 /nfs/dbraw/zinc/79/69/09/627796909.db2.gz CTVGQXMSDIQEBD-UHFFFAOYSA-N 1 0 314.832 3.491 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000816521118 627801162 /nfs/dbraw/zinc/80/11/62/627801162.db2.gz HQRBEIMHAWYDPV-NEPJUHHUSA-N 1 0 313.800 3.433 20 10 DGCDRO Oc1c(C[NH2+]C[C@@H]2COc3ccccc3O2)ccc2ccccc21 ZINC000816531451 627803121 /nfs/dbraw/zinc/80/31/21/627803121.db2.gz SBTFQLQLWKSUPE-MRXNPFEDSA-N 1 0 321.376 3.475 20 10 DGCDRO CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816543519 627805025 /nfs/dbraw/zinc/80/50/25/627805025.db2.gz DMYALFKQYSXFOH-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816548366 627805528 /nfs/dbraw/zinc/80/55/28/627805528.db2.gz FLWQCTCVCVGBEW-LBPRGKRZSA-N 1 0 314.832 3.395 20 10 DGCDRO Oc1c(C[NH2+]C[C@]2(O)CCc3ccccc32)ccc2ccccc21 ZINC000816558193 627807415 /nfs/dbraw/zinc/80/74/15/627807415.db2.gz QBZHFSCSXWMZJV-OAQYLSRUSA-N 1 0 319.404 3.469 20 10 DGCDRO CCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816561419 627808461 /nfs/dbraw/zinc/80/84/61/627808461.db2.gz XFCCBQTVBMUANJ-UHFFFAOYSA-N 1 0 300.805 3.149 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccccc2-c2ccnn2C)c(O)c1 ZINC000816597461 627812730 /nfs/dbraw/zinc/81/27/30/627812730.db2.gz SFWZGSRFLSKSKC-UHFFFAOYSA-N 1 0 323.396 3.091 20 10 DGCDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816626011 627816283 /nfs/dbraw/zinc/81/62/83/627816283.db2.gz SGYXLJFWRBFMMT-CQSZACIVSA-N 1 0 314.429 3.187 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C3CCCC3)C2)cc1OC ZINC000817371383 627890309 /nfs/dbraw/zinc/89/03/09/627890309.db2.gz WOUIBYUYCZYZTP-CQSZACIVSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccns3)C2)cc1 ZINC000926611506 627921236 /nfs/dbraw/zinc/92/12/36/627921236.db2.gz LYQFWPHCVQGCBK-KGLIPLIRSA-N 1 0 317.458 3.329 20 10 DGCDRO COC1([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCOCC1 ZINC000817587677 627926568 /nfs/dbraw/zinc/92/65/68/627926568.db2.gz HDCVZRPLRYVVJW-RYUDHWBXSA-N 1 0 313.825 3.280 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1ccc(C)cc1O ZINC000817587286 627926613 /nfs/dbraw/zinc/92/66/13/627926613.db2.gz DKVOSHCBOAAZSB-GDBMZVCRSA-N 1 0 307.434 3.325 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cnccc2N)cc1F ZINC000817903341 627957342 /nfs/dbraw/zinc/95/73/42/627957342.db2.gz NPEJWSRMRJFGOL-ZDUSSCGKSA-N 1 0 316.424 3.330 20 10 DGCDRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817940073 627967405 /nfs/dbraw/zinc/96/74/05/627967405.db2.gz DDSGCTXGUGVHHZ-AEFFLSMTSA-N 1 0 301.478 3.470 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000817938748 627967579 /nfs/dbraw/zinc/96/75/79/627967579.db2.gz RHCNELAYAHIGIU-DLBZAZTESA-N 1 0 315.486 3.481 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000817938966 627968046 /nfs/dbraw/zinc/96/80/46/627968046.db2.gz WNRRDMUONLWSPB-MOPGFXCFSA-N 1 0 313.420 3.169 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(C)n1 ZINC000817941141 627968352 /nfs/dbraw/zinc/96/83/52/627968352.db2.gz JDWNRLQWZKQWGG-IFXJQAMLSA-N 1 0 312.461 3.115 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817940795 627968676 /nfs/dbraw/zinc/96/86/76/627968676.db2.gz HSXVBHSSCKEOEE-RDTXWAMCSA-N 1 0 313.445 3.117 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817940791 627968908 /nfs/dbraw/zinc/96/89/08/627968908.db2.gz HSXVBHSSCKEOEE-KSSFIOAISA-N 1 0 313.445 3.117 20 10 DGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1F ZINC000817940446 627968977 /nfs/dbraw/zinc/96/89/77/627968977.db2.gz GIRSGXAIQINSEX-SJCJKPOMSA-N 1 0 319.399 3.381 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H](c2cccnc2)C2CCC2)cc1 ZINC000817943262 627969283 /nfs/dbraw/zinc/96/92/83/627969283.db2.gz SXJZCELRPOIATI-VQTJNVASSA-N 1 0 324.472 3.278 20 10 DGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)nc1 ZINC000817944299 627969768 /nfs/dbraw/zinc/96/97/68/627969768.db2.gz ZASUBBGCJZSUED-BLLLJJGKSA-N 1 0 318.852 3.152 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817948100 627971820 /nfs/dbraw/zinc/97/18/20/627971820.db2.gz VETXXUYJDWRKRF-SRVKXCTJSA-N 1 0 316.367 3.450 20 10 DGCDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(N2CCCCCC2)cc1 ZINC000817951229 627972832 /nfs/dbraw/zinc/97/28/32/627972832.db2.gz CBMNVYOILCSFQR-FUHWJXTLSA-N 1 0 301.478 3.470 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817955025 627973468 /nfs/dbraw/zinc/97/34/68/627973468.db2.gz OXGNEOSMQJDVDJ-NXEZZACHSA-N 1 0 303.233 3.349 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](N)c2ccccc2)c2c1c(F)ccc2O ZINC000817954048 627973581 /nfs/dbraw/zinc/97/35/81/627973581.db2.gz AQXNPEUONVZDKW-UGFHNGPFSA-N 1 0 300.377 3.369 20 10 DGCDRO COCc1cc([C@H](C)[NH2+]CCc2ccc(N)cc2)ccc1OC ZINC000817955911 627974295 /nfs/dbraw/zinc/97/42/95/627974295.db2.gz LAWGIEJDZIFZJY-AWEZNQCLSA-N 1 0 314.429 3.317 20 10 DGCDRO C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000817962106 627976801 /nfs/dbraw/zinc/97/68/01/627976801.db2.gz GBXWGOMCMZITBP-RYUDHWBXSA-N 1 0 315.373 3.171 20 10 DGCDRO C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817962469 627977103 /nfs/dbraw/zinc/97/71/03/627977103.db2.gz MSWBHAPUFQCJHW-YUMQZZPRSA-N 1 0 321.646 3.054 20 10 DGCDRO C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817967169 627977732 /nfs/dbraw/zinc/97/77/32/627977732.db2.gz DLZXFTVPNUESFY-SECBINFHSA-N 1 0 301.217 3.269 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817968262 627978349 /nfs/dbraw/zinc/97/83/49/627978349.db2.gz IUMXROXXCSAALO-VHSXEESVSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000817969928 627978503 /nfs/dbraw/zinc/97/85/03/627978503.db2.gz IIMHSOVRTIMHRF-NRUUGDAUSA-N 1 0 302.340 3.060 20 10 DGCDRO CC[C@H]([NH2+]CCc1cc(C)n(C)n1)c1ccc(N(C)C)cc1 ZINC000926913599 627978937 /nfs/dbraw/zinc/97/89/37/627978937.db2.gz CKKWOQHVWXPJRU-SFHVURJKSA-N 1 0 300.450 3.078 20 10 DGCDRO CC[NH2+][C@H](C)CN[C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000817973789 627979831 /nfs/dbraw/zinc/97/98/31/627979831.db2.gz WPFMSKLOTJDCQP-ZWNOBZJWSA-N 1 0 304.356 3.450 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1[O-] ZINC000817976520 627980961 /nfs/dbraw/zinc/98/09/61/627980961.db2.gz NAQIJCQFDSMEIO-GWCFXTLKSA-N 1 0 314.351 3.204 20 10 DGCDRO C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1cc(F)ccc1O ZINC000926930098 627983972 /nfs/dbraw/zinc/98/39/72/627983972.db2.gz FWDGUOSZHRXBML-JTQLQIEISA-N 1 0 306.406 3.370 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(F)cc1[O-] ZINC000926929664 627983989 /nfs/dbraw/zinc/98/39/89/627983989.db2.gz YYNUBNCXTPMQKZ-MRVPVSSYSA-N 1 0 317.286 3.134 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000818076208 627992534 /nfs/dbraw/zinc/99/25/34/627992534.db2.gz DHEAHBNFEMAQPC-QGZVFWFLSA-N 1 0 318.461 3.429 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2)n1 ZINC000927046737 628002214 /nfs/dbraw/zinc/00/22/14/628002214.db2.gz BJYKZSYCEGCEQA-LOWVWBTDSA-N 1 0 319.380 3.464 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccsc3)C2)cc1 ZINC000818220548 628005944 /nfs/dbraw/zinc/00/59/44/628005944.db2.gz LROYTWCUDWFWMX-AWEZNQCLSA-N 1 0 302.443 3.373 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOC2CCOCC2)c1O ZINC000927077041 628008921 /nfs/dbraw/zinc/00/89/21/628008921.db2.gz QTVIUKIENCCSRR-GFCCVEGCSA-N 1 0 313.825 3.200 20 10 DGCDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000927142361 628025731 /nfs/dbraw/zinc/02/57/31/628025731.db2.gz KPTVTJZVUPHJNH-XMCHAPAWSA-N 1 0 310.441 3.452 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000927151916 628027667 /nfs/dbraw/zinc/02/76/67/628027667.db2.gz HZVHEBPQDVLTBO-IIAWOOMASA-N 1 0 306.425 3.238 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2cccc(F)c2)cc1 ZINC000818942059 628064258 /nfs/dbraw/zinc/06/42/58/628064258.db2.gz WTXBGLCPGXQDOA-UHFFFAOYSA-N 1 0 315.392 3.010 20 10 DGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCCSc1nccs1 ZINC000819064236 628085203 /nfs/dbraw/zinc/08/52/03/628085203.db2.gz UUPDTJMYMHUHJF-HIFRSBDPSA-N 1 0 322.499 3.380 20 10 DGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819096172 628091033 /nfs/dbraw/zinc/09/10/33/628091033.db2.gz YIPJIADGTKYOGS-UTKZUKDTSA-N 1 0 322.452 3.317 20 10 DGCDRO O=C(CC[NH2+]Cc1ccc(N2CC=CC2)cc1)Nc1ccccc1 ZINC000819095807 628091343 /nfs/dbraw/zinc/09/13/43/628091343.db2.gz VBRGPUXVMKOPEW-UHFFFAOYSA-N 1 0 321.424 3.181 20 10 DGCDRO CC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819291193 628128177 /nfs/dbraw/zinc/12/81/77/628128177.db2.gz RAYYDUOFQLCQDL-HIFRSBDPSA-N 1 0 310.869 3.437 20 10 DGCDRO CC(C)n1cncc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000822469892 628454503 /nfs/dbraw/zinc/45/45/03/628454503.db2.gz FRUSALJVUCXSFH-UHFFFAOYSA-N 1 0 316.449 3.041 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@H]3SC)C2)cc1 ZINC000822494443 628457572 /nfs/dbraw/zinc/45/75/72/628457572.db2.gz OTVJNGIIJLHSQL-XOKHGSTOSA-N 1 0 306.475 3.005 20 10 DGCDRO CCOC(=O)CN(Cc1ccccc1C)Cc1ccccc1O ZINC000822512143 628459503 /nfs/dbraw/zinc/45/95/03/628459503.db2.gz WKERJHKOVFLRFQ-UHFFFAOYSA-N 1 0 313.397 3.266 20 10 DGCDRO CCOc1ccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000822515435 628460314 /nfs/dbraw/zinc/46/03/14/628460314.db2.gz ASJCITGQSSKMOB-LJQANCHMSA-N 1 0 315.413 3.130 20 10 DGCDRO Cc1cnccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000823729393 628591175 /nfs/dbraw/zinc/59/11/75/628591175.db2.gz FMIJDTWJORZIPJ-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823866944 628605169 /nfs/dbraw/zinc/60/51/69/628605169.db2.gz VDIFJDVJCOQGKI-GOSISDBHSA-N 1 0 318.486 3.491 20 10 DGCDRO Fc1cc(C[NH2+]CCCSc2nccs2)c(F)cn1 ZINC000823938366 628611785 /nfs/dbraw/zinc/61/17/85/628611785.db2.gz XWWKSCLUJXKRBV-UHFFFAOYSA-N 1 0 301.387 3.088 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2(CO)CC2)cc1 ZINC000823966296 628614854 /nfs/dbraw/zinc/61/48/54/628614854.db2.gz JLJPKERPILNBBJ-UHFFFAOYSA-N 1 0 316.470 3.247 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+](C(C)C)C2COC2)c1O ZINC000824471559 628663286 /nfs/dbraw/zinc/66/32/86/628663286.db2.gz FEWHRSYJNRFZOY-UHFFFAOYSA-N 1 0 314.223 3.072 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000824555294 628670549 /nfs/dbraw/zinc/67/05/49/628670549.db2.gz RZRYTPBZMJADBY-CYBMUJFWSA-N 1 0 305.340 3.451 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2ccccc2C)cc1OC ZINC000824554352 628670935 /nfs/dbraw/zinc/67/09/35/628670935.db2.gz FFMPMFCYRRISIL-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](CC(C)C)CN2CCCC2)c1O ZINC000824559180 628671052 /nfs/dbraw/zinc/67/10/52/628671052.db2.gz JNZROTPHNKLTNT-KRWDZBQOSA-N 1 0 320.477 3.391 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1Cl ZINC000824605294 628675810 /nfs/dbraw/zinc/67/58/10/628675810.db2.gz HJWRDCHXKHACRF-UHFFFAOYSA-N 1 0 305.809 3.457 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1Cl ZINC000824600988 628675977 /nfs/dbraw/zinc/67/59/77/628675977.db2.gz FKGNPOCGLHAGAB-ZDUSSCGKSA-N 1 0 319.836 3.467 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000824695698 628684476 /nfs/dbraw/zinc/68/44/76/628684476.db2.gz BHFCFEKFGLCFBD-SCTDSRPQSA-N 1 0 319.445 3.306 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F ZINC000824696989 628684736 /nfs/dbraw/zinc/68/47/36/628684736.db2.gz WYIXCPIJYLYCLA-SZVBFZGTSA-N 1 0 320.452 3.407 20 10 DGCDRO C[C@@]12C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000824703141 628685143 /nfs/dbraw/zinc/68/51/43/628685143.db2.gz WKAHUKAMMLHABV-ZFMNYDKASA-N 1 0 324.468 3.167 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000824751454 628689495 /nfs/dbraw/zinc/68/94/95/628689495.db2.gz XJJXLWXLPCDEOP-UONOGXRCSA-N 1 0 305.418 3.401 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]CC2(CF)CCOCC2)c1O ZINC000824795435 628694663 /nfs/dbraw/zinc/69/46/63/628694663.db2.gz ZGEHPYVFJCOTGV-UHFFFAOYSA-N 1 0 301.789 3.210 20 10 DGCDRO Cc1ccncc1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000824909539 628704875 /nfs/dbraw/zinc/70/48/75/628704875.db2.gz OQOMUGOERSEILL-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2cnccc2C)ccc1OC ZINC000824909511 628705128 /nfs/dbraw/zinc/70/51/28/628705128.db2.gz NSNWWIAQZPVCEX-UHFFFAOYSA-N 1 0 300.402 3.225 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)cc1C ZINC000824931630 628708010 /nfs/dbraw/zinc/70/80/10/628708010.db2.gz CHPCLQVGOGKZOO-IEBWSBKVSA-N 1 0 312.413 3.409 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000824940915 628709474 /nfs/dbraw/zinc/70/94/74/628709474.db2.gz FQKSRBFYTKDPEL-UXHICEINSA-N 1 0 312.457 3.144 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000824948872 628710175 /nfs/dbraw/zinc/71/01/75/628710175.db2.gz VGPWWARZLKDWQR-PKOBYXMFSA-N 1 0 311.429 3.158 20 10 DGCDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824978400 628713057 /nfs/dbraw/zinc/71/30/57/628713057.db2.gz VTSRUSRITVRHBG-HOTGVXAUSA-N 1 0 306.425 3.044 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1ccccc1O ZINC000825045747 628720445 /nfs/dbraw/zinc/72/04/45/628720445.db2.gz KPLOMUULWROGLE-QIIPPGSGSA-N 1 0 315.417 3.087 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1O ZINC000825111358 628729461 /nfs/dbraw/zinc/72/94/61/628729461.db2.gz MWUVMARTYLILNV-CABCVRRESA-N 1 0 324.424 3.157 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1 ZINC000825124438 628730463 /nfs/dbraw/zinc/73/04/63/628730463.db2.gz PYZSKMABPKZCIG-CYBMUJFWSA-N 1 0 316.367 3.017 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@](C)(CO)c2ccccc2)cc1Cl ZINC000825278997 628746206 /nfs/dbraw/zinc/74/62/06/628746206.db2.gz RHEIDQCTLHHUBV-KRWDZBQOSA-N 1 0 305.805 3.351 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1Cl ZINC000825291293 628747368 /nfs/dbraw/zinc/74/73/68/628747368.db2.gz IQVQMOZQRVWABZ-TZMCWYRMSA-N 1 0 324.852 3.091 20 10 DGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825316754 628748528 /nfs/dbraw/zinc/74/85/28/628748528.db2.gz ZQAPNCROBKURKM-ZWNOBZJWSA-N 1 0 316.239 3.041 20 10 DGCDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825320987 628749405 /nfs/dbraw/zinc/74/94/05/628749405.db2.gz RBKDWDAFKGHXTP-NSHDSACASA-N 1 0 321.852 3.425 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)cc1Cl ZINC000825370123 628754551 /nfs/dbraw/zinc/75/45/51/628754551.db2.gz JLOMUDNOIBMGHH-DYVFJYSZSA-N 1 0 319.832 3.436 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H]1CCCO1 ZINC000825391522 628756974 /nfs/dbraw/zinc/75/69/74/628756974.db2.gz XOERRIIHWYDULO-OCCSQVGLSA-N 1 0 314.223 3.202 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1Cl ZINC000825396062 628757431 /nfs/dbraw/zinc/75/74/31/628757431.db2.gz OKOXOCICECRSGP-QGZVFWFLSA-N 1 0 323.795 3.490 20 10 DGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000825405855 628758017 /nfs/dbraw/zinc/75/80/17/628758017.db2.gz LFSWKKRXGOFWPS-BXUZGUMPSA-N 1 0 314.223 3.059 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](COC)CC1CCOCC1 ZINC000825710691 628788338 /nfs/dbraw/zinc/78/83/38/628788338.db2.gz YEXLBFMBDSTZQT-IBGZPJMESA-N 1 0 320.477 3.193 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C2CCC2)c(C(F)(F)F)c1 ZINC000826868056 628897358 /nfs/dbraw/zinc/89/73/58/628897358.db2.gz PBSKJSMTZRAYNG-HNNXBMFYSA-N 1 0 316.367 3.022 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3cc(OC)ccc3C2)c1 ZINC000827304817 628947295 /nfs/dbraw/zinc/94/72/95/628947295.db2.gz GRFXJDNGROGPCP-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000827340465 628950933 /nfs/dbraw/zinc/95/09/33/628950933.db2.gz AWJPREMQPRFPGG-MJGOQNOKSA-N 1 0 317.477 3.057 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000827377066 628954059 /nfs/dbraw/zinc/95/40/59/628954059.db2.gz OOTWAYUAZDXYFA-WMLDXEAASA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c1O ZINC000827515449 628967098 /nfs/dbraw/zinc/96/70/98/628967098.db2.gz HVBYKTYMDAICIW-NSHDSACASA-N 1 0 305.752 3.435 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000827526141 628967945 /nfs/dbraw/zinc/96/79/45/628967945.db2.gz HKXBEHODUBRKQR-RBUKOAKNSA-N 1 0 315.413 3.249 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)c1 ZINC000827525600 628967961 /nfs/dbraw/zinc/96/79/61/628967961.db2.gz BIZFDDMMESFDAA-MOPGFXCFSA-N 1 0 315.413 3.249 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1O ZINC000827533768 628968639 /nfs/dbraw/zinc/96/86/39/628968639.db2.gz XKSYKPBHSCAAJG-UHFFFAOYSA-N 1 0 301.430 3.346 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000827537795 628968686 /nfs/dbraw/zinc/96/86/86/628968686.db2.gz HQRJDQIUIIQIRG-UHFFFAOYSA-N 1 0 307.821 3.437 20 10 DGCDRO Cc1ccc(O)c(CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1 ZINC000827789907 628991673 /nfs/dbraw/zinc/99/16/73/628991673.db2.gz YGIPTIKLOVYKJF-WCQYABFASA-N 1 0 303.324 3.242 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000827849638 628997301 /nfs/dbraw/zinc/99/73/01/628997301.db2.gz GMLXELDRUHZYTM-CALCHBBNSA-N 1 0 307.821 3.438 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1O ZINC000827856801 628997577 /nfs/dbraw/zinc/99/75/77/628997577.db2.gz SAIALNOWIMLRSX-BZNIZROVSA-N 1 0 321.804 3.266 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)c1O ZINC000827856803 628997775 /nfs/dbraw/zinc/99/77/75/628997775.db2.gz SAIALNOWIMLRSX-ZBEGNZNMSA-N 1 0 321.804 3.266 20 10 DGCDRO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1O ZINC000827946519 629006734 /nfs/dbraw/zinc/00/67/34/629006734.db2.gz KTBLIRCFKYKFRB-RHSMWYFYSA-N 1 0 316.445 3.367 20 10 DGCDRO C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000827964758 629009121 /nfs/dbraw/zinc/00/91/21/629009121.db2.gz UEAMMYHWKJQDKY-RDJZCZTQSA-N 1 0 324.424 3.092 20 10 DGCDRO C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000827970172 629009778 /nfs/dbraw/zinc/00/97/78/629009778.db2.gz YMFABPCRPNGCKI-YOEHRIQHSA-N 1 0 312.413 3.262 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@H](O)C2CC2)ccc1N1CCCCC1 ZINC000828015437 629014841 /nfs/dbraw/zinc/01/48/41/629014841.db2.gz FSQKLSHZLVNWRJ-IBGZPJMESA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(C[N@H+](CC(N)=O)C(C)(C)C)ccc1N1CCCCC1 ZINC000828090856 629021934 /nfs/dbraw/zinc/02/19/34/629021934.db2.gz HEELEIXNDXLONX-UHFFFAOYSA-N 1 0 317.477 3.071 20 10 DGCDRO C[C@H](c1ccccc1)[N@H+](CC[S@](C)=O)Cc1ccccc1O ZINC000828564202 629068284 /nfs/dbraw/zinc/06/82/84/629068284.db2.gz NNOQTXXVHWDKCI-QRQCRPRQSA-N 1 0 317.454 3.334 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)ccc1N1CCCCC1 ZINC000828755374 629088045 /nfs/dbraw/zinc/08/80/45/629088045.db2.gz MTLCKXBVQHLDIB-AEFFLSMTSA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(C[NH2+][C@H](CO)C(C)(C)C)ccc1N1CCCCC1 ZINC000828761727 629089350 /nfs/dbraw/zinc/08/93/50/629089350.db2.gz NVSRBBULORRHHN-GOSISDBHSA-N 1 0 304.478 3.482 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](CCO)C2CC2)ccc1N1CCCCC1 ZINC000828829185 629098239 /nfs/dbraw/zinc/09/82/39/629098239.db2.gz QYRGRZUXAYOJHX-SFHVURJKSA-N 1 0 302.462 3.236 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)ccc1N1CCCCC1 ZINC000828987795 629117553 /nfs/dbraw/zinc/11/75/53/629117553.db2.gz LQKNTTXBBHQPHG-VQIMIIECSA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H]2CO)ccc1N1CCCCC1 ZINC000829121354 629132721 /nfs/dbraw/zinc/13/27/21/629132721.db2.gz TXUSSRIJHDCEDQ-KXBFYZLASA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000829764561 629189520 /nfs/dbraw/zinc/18/95/20/629189520.db2.gz OUECFVCZOAQZKK-CQSZACIVSA-N 1 0 311.429 3.011 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc(Cn3ccnc3)c1)CC2 ZINC000834507709 629718932 /nfs/dbraw/zinc/71/89/32/629718932.db2.gz CNKCXWSMMFXVIL-GOSISDBHSA-N 1 0 319.408 3.414 20 10 DGCDRO Cc1nc(C[NH2+][C@@H]2CCc3cccc(O)c32)nc2ccccc12 ZINC000834558229 629728325 /nfs/dbraw/zinc/72/83/25/629728325.db2.gz CYZKPRHBJAYSMS-MRXNPFEDSA-N 1 0 305.381 3.421 20 10 DGCDRO COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000834602812 629739094 /nfs/dbraw/zinc/73/90/94/629739094.db2.gz VDAVMMYTIMYCQM-CXAGYDPISA-N 1 0 313.397 3.445 20 10 DGCDRO CN(C)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)Cc2ccccc2C1 ZINC000834602079 629739174 /nfs/dbraw/zinc/73/91/74/629739174.db2.gz ISLDIVLSSROHDG-GOSISDBHSA-N 1 0 322.452 3.068 20 10 DGCDRO Cn1c2ccc(F)cc2nc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834654546 629748523 /nfs/dbraw/zinc/74/85/23/629748523.db2.gz OZIQRULYOBEMNS-ZDUSSCGKSA-N 1 0 311.360 3.195 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)CC2 ZINC000834668804 629752549 /nfs/dbraw/zinc/75/25/49/629752549.db2.gz OBXMJKXZIBPUNL-GDBMZVCRSA-N 1 0 303.789 3.356 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cn(-c2ccccc2)nn1 ZINC000834680731 629755761 /nfs/dbraw/zinc/75/57/61/629755761.db2.gz HMVGJVAPWBYSMZ-CJNGLKHVSA-N 1 0 320.396 3.311 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000834820786 629784167 /nfs/dbraw/zinc/78/41/67/629784167.db2.gz CUZDTAHSRUUHDJ-RYUDHWBXSA-N 1 0 319.836 3.213 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cc(Cl)ccc1O ZINC000834828551 629785428 /nfs/dbraw/zinc/78/54/28/629785428.db2.gz VNSBKQATIJQIPM-NHYWBVRUSA-N 1 0 323.795 3.439 20 10 DGCDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834843751 629788899 /nfs/dbraw/zinc/78/88/99/629788899.db2.gz KGWAXMWHEPOOON-QFBILLFUSA-N 1 0 320.477 3.115 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CC2(CF)CCOCC2)c2c1c(F)ccc2O ZINC000834885727 629798062 /nfs/dbraw/zinc/79/80/62/629798062.db2.gz NDRKCFFUESOEKK-YPMHNXCESA-N 1 0 311.372 3.436 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)cc1 ZINC000834897781 629801828 /nfs/dbraw/zinc/80/18/28/629801828.db2.gz VQRHHMYXZDQGCS-HUUCEWRRSA-N 1 0 300.450 3.158 20 10 DGCDRO Cc1cnc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000834908688 629806134 /nfs/dbraw/zinc/80/61/34/629806134.db2.gz LGYCYWDQSMMROV-HZMBPMFUSA-N 1 0 301.365 3.010 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c(O)c1 ZINC000834910964 629806524 /nfs/dbraw/zinc/80/65/24/629806524.db2.gz HADDUTGDVOWPSY-ZQIUZPCESA-N 1 0 315.417 3.005 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000834915723 629808406 /nfs/dbraw/zinc/80/84/06/629808406.db2.gz TWKLSUQHWPOYKN-MZMPZRCHSA-N 1 0 306.425 3.380 20 10 DGCDRO CC[N@@H+]1C[C@H](C)N(C/C=C\c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000835025883 629827950 /nfs/dbraw/zinc/82/79/50/629827950.db2.gz MLCWPEIXNLHALQ-IIAQQRLMSA-N 1 0 301.478 3.180 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000835024880 629828316 /nfs/dbraw/zinc/82/83/16/629828316.db2.gz AHSGZNBZIYEMFR-SUZKBHRPSA-N 1 0 324.472 3.379 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000835029268 629829180 /nfs/dbraw/zinc/82/91/80/629829180.db2.gz RXHBFOBPOQSIPW-SHCNBLLESA-N 1 0 324.472 3.064 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](CO)Cc2ccccc2)cc1 ZINC000835035162 629830313 /nfs/dbraw/zinc/83/03/13/629830313.db2.gz HSHMJSUDVBHHFT-NSDNCLLMSA-N 1 0 324.468 3.207 20 10 DGCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000835035782 629830487 /nfs/dbraw/zinc/83/04/87/629830487.db2.gz KTTHRZRBUGRRFT-LFAOLKIESA-N 1 0 321.428 3.159 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCn2cnc3ccccc32)cc1 ZINC000835037598 629831042 /nfs/dbraw/zinc/83/10/42/629831042.db2.gz REDICKZEYQIOOJ-WAYWQWQTSA-N 1 0 320.440 3.405 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1O ZINC000835037701 629831060 /nfs/dbraw/zinc/83/10/60/629831060.db2.gz SDYBMIQKWVVACS-SNAWJCMRSA-N 1 0 312.413 3.270 20 10 DGCDRO Cc1nc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)cs1 ZINC000835037326 629831417 /nfs/dbraw/zinc/83/14/17/629831417.db2.gz VBSGZLCLSSDTAA-SNAWJCMRSA-N 1 0 301.459 3.363 20 10 DGCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1 ZINC000835040385 629831956 /nfs/dbraw/zinc/83/19/56/629831956.db2.gz OWCRUTFBDFXWAJ-WAVCKPEOSA-N 1 0 323.440 3.383 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000835040908 629832015 /nfs/dbraw/zinc/83/20/15/629832015.db2.gz VYXJHSXHJURGKF-GNAXCBTBSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)C2CCCCC2)cc1 ZINC000835041359 629832197 /nfs/dbraw/zinc/83/21/97/629832197.db2.gz BRDXRYUOOBGVJV-LIXSYLKWSA-N 1 0 302.462 3.297 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CSCCS2)cc1 ZINC000835041738 629832361 /nfs/dbraw/zinc/83/23/61/629832361.db2.gz DQSVCWATWVEADU-CWDCEQMOSA-N 1 0 308.516 3.204 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)C2CCCCC2)cc1 ZINC000835041362 629832395 /nfs/dbraw/zinc/83/23/95/629832395.db2.gz BRDXRYUOOBGVJV-OVKVCFKUSA-N 1 0 302.462 3.297 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]2(O)CCc3ccccc32)cc1 ZINC000835040121 629832468 /nfs/dbraw/zinc/83/24/68/629832468.db2.gz ACCMQVLBQGCFKW-QEVIJRNUSA-N 1 0 322.452 3.189 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000835043465 629832656 /nfs/dbraw/zinc/83/26/56/629832656.db2.gz RDTRKMWPNFLIFQ-NJELEJDNSA-N 1 0 300.446 3.457 20 10 DGCDRO Cc1ccccc1[C@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042082 629832767 /nfs/dbraw/zinc/83/27/67/629832767.db2.gz GPWCQXMRAYUWFH-IEJURRBGSA-N 1 0 310.441 3.397 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000835042824 629832822 /nfs/dbraw/zinc/83/28/22/629832822.db2.gz YGHWEXKNMSDNET-DUMMIQTOSA-N 1 0 322.456 3.029 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000835043463 629832871 /nfs/dbraw/zinc/83/28/71/629832871.db2.gz RDTRKMWPNFLIFQ-MAVJXHJTSA-N 1 0 300.446 3.457 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000835047337 629835724 /nfs/dbraw/zinc/83/57/24/629835724.db2.gz GGUQYTFPXLRSFX-WMHVBEDNSA-N 1 0 310.388 3.469 20 10 DGCDRO CCC[C@]1(CO)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835051874 629837053 /nfs/dbraw/zinc/83/70/53/629837053.db2.gz AWHUXQVCZUGKRA-UEKDZROGSA-N 1 0 302.462 3.250 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000835053121 629837501 /nfs/dbraw/zinc/83/75/01/629837501.db2.gz KUAVSMKNGCXIJC-OCTSTCLRSA-N 1 0 302.462 3.393 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CCO)Cc2ccccc2)cc1 ZINC000835052630 629837574 /nfs/dbraw/zinc/83/75/74/629837574.db2.gz POMASNLZMWJQDP-AQDCRGGLSA-N 1 0 324.468 3.349 20 10 DGCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835054799 629838406 /nfs/dbraw/zinc/83/84/06/629838406.db2.gz YQIUFRFGRBPGNF-HTWXZYLJSA-N 1 0 313.489 3.324 20 10 DGCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835054797 629838520 /nfs/dbraw/zinc/83/85/20/629838520.db2.gz YQIUFRFGRBPGNF-AJWBFMOXSA-N 1 0 313.489 3.324 20 10 DGCDRO CC(C)[N@@H+]1CC[C@H](N(C)C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835054611 629838706 /nfs/dbraw/zinc/83/87/06/629838706.db2.gz LOHBLQFXOABURE-GHOSXJJBSA-N 1 0 301.478 3.180 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000835055535 629838713 /nfs/dbraw/zinc/83/87/13/629838713.db2.gz VTRLDFCJBBDASF-BQWKOYSQSA-N 1 0 314.473 3.391 20 10 DGCDRO CC(C)[N@@H+]1CC[C@@H](N(C)C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835054615 629838846 /nfs/dbraw/zinc/83/88/46/629838846.db2.gz LOHBLQFXOABURE-OVKVCFKUSA-N 1 0 301.478 3.180 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC2(C3CCC3)CCC2)cc1OC ZINC000835059166 629839463 /nfs/dbraw/zinc/83/94/63/629839463.db2.gz NTWDIUBDDYHPQV-UHFFFAOYSA-N 1 0 305.418 3.469 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c1 ZINC000835071389 629843669 /nfs/dbraw/zinc/84/36/69/629843669.db2.gz YBRYMYKGXNVIGO-GOSISDBHSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(C)c(C)cc2O)cc1C ZINC000835074043 629844515 /nfs/dbraw/zinc/84/45/15/629844515.db2.gz QZLMULZSVWKHKD-IBGZPJMESA-N 1 0 313.441 3.319 20 10 DGCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)O1 ZINC000835085982 629847780 /nfs/dbraw/zinc/84/77/80/629847780.db2.gz DCBLMBKEYLNRNJ-RISCZKNCSA-N 1 0 316.367 3.429 20 10 DGCDRO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(N2CCCCC2)cc1 ZINC000840769359 630357197 /nfs/dbraw/zinc/35/71/97/630357197.db2.gz YIOOLQNQTHBBRL-MRXNPFEDSA-N 1 0 312.461 3.304 20 10 DGCDRO C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1ccccc1O ZINC000840862785 630369065 /nfs/dbraw/zinc/36/90/65/630369065.db2.gz IEXGTHVADSGDEB-ZFWWWQNUSA-N 1 0 314.385 3.163 20 10 DGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC000840880898 630371788 /nfs/dbraw/zinc/37/17/88/630371788.db2.gz FWLZYXOGYSTDLL-KRWDZBQOSA-N 1 0 305.805 3.486 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000840895035 630373924 /nfs/dbraw/zinc/37/39/24/630373924.db2.gz UXDAOZGPAHJPGV-GJZGRUSLSA-N 1 0 300.450 3.076 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cc2c(cc1O)CCCC2 ZINC000840895421 630374410 /nfs/dbraw/zinc/37/44/10/630374410.db2.gz LRNBEAAHXAZSIL-JJRVBVJISA-N 1 0 303.446 3.473 20 10 DGCDRO Cc1cc(O)c(C[N@H+](CCO)Cc2ccccc2)c(Cl)c1 ZINC000840908171 630375586 /nfs/dbraw/zinc/37/55/86/630375586.db2.gz OJHOWFSCYWCBBH-UHFFFAOYSA-N 1 0 305.805 3.349 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000840910859 630376442 /nfs/dbraw/zinc/37/64/42/630376442.db2.gz NOAOGSQMIIXQNG-IBGZPJMESA-N 1 0 301.478 3.121 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000840913868 630377236 /nfs/dbraw/zinc/37/72/36/630377236.db2.gz KFDZLVATXKNRLC-CQSZACIVSA-N 1 0 308.853 3.414 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000840915164 630377509 /nfs/dbraw/zinc/37/75/09/630377509.db2.gz LSZBFWFFKSZUPW-HXUWFJFHSA-N 1 0 310.441 3.153 20 10 DGCDRO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840919820 630378778 /nfs/dbraw/zinc/37/87/78/630378778.db2.gz OTLWDYKFCDKHCD-LJQANCHMSA-N 1 0 312.461 3.440 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(Cl)c1 ZINC000840923298 630378835 /nfs/dbraw/zinc/37/88/35/630378835.db2.gz SALKZICBNCIJRA-UKRRQHHQSA-N 1 0 313.850 3.060 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000840929898 630379666 /nfs/dbraw/zinc/37/96/66/630379666.db2.gz QJGRNIMSOHQVJR-GOSISDBHSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc(N(C)C)cc2C)c(C)o1 ZINC000840933650 630379894 /nfs/dbraw/zinc/37/98/94/630379894.db2.gz IYKCVFNNINZVMC-LJQANCHMSA-N 1 0 316.445 3.268 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000840934593 630380546 /nfs/dbraw/zinc/38/05/46/630380546.db2.gz UIRDFXSQPFRTCS-GOSISDBHSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000840937135 630380813 /nfs/dbraw/zinc/38/08/13/630380813.db2.gz HWEZEORQJVZLKC-RTBURBONSA-N 1 0 302.462 3.356 20 10 DGCDRO CCc1noc(CC)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936610 630380837 /nfs/dbraw/zinc/38/08/37/630380837.db2.gz MQYVGTFBUOKHBC-UHFFFAOYSA-N 1 0 301.434 3.464 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000840940507 630381483 /nfs/dbraw/zinc/38/14/83/630381483.db2.gz CRWUPHFJQPHEAU-QGZVFWFLSA-N 1 0 312.461 3.174 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000840942494 630381863 /nfs/dbraw/zinc/38/18/63/630381863.db2.gz WADHWEXGKLYERK-LJQANCHMSA-N 1 0 312.457 3.144 20 10 DGCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840945261 630381962 /nfs/dbraw/zinc/38/19/62/630381962.db2.gz GVROHOFODQLOAI-CQSZACIVSA-N 1 0 324.852 3.092 20 10 DGCDRO COCC[N@H+](Cc1cccnc1)Cc1ccc(N(C)C)cc1C ZINC000840948817 630382437 /nfs/dbraw/zinc/38/24/37/630382437.db2.gz LAKWSDPTRGZYIQ-UHFFFAOYSA-N 1 0 313.445 3.105 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000840947796 630382444 /nfs/dbraw/zinc/38/24/44/630382444.db2.gz GBTFSLUVHIGVPJ-UHFFFAOYSA-N 1 0 310.445 3.084 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1O ZINC000840947921 630382553 /nfs/dbraw/zinc/38/25/53/630382553.db2.gz CTEXBHFCCFRJBL-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO Cc1cc(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(Cl)c1 ZINC000840948012 630382615 /nfs/dbraw/zinc/38/26/15/630382615.db2.gz JIXYPYLQJQYIJB-UONOGXRCSA-N 1 0 308.853 3.413 20 10 DGCDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840947946 630382910 /nfs/dbraw/zinc/38/29/10/630382910.db2.gz DQRSNHHLCQXFSB-UHFFFAOYSA-N 1 0 300.450 3.088 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCc3c(cnn3C)C2)cc1 ZINC000840954964 630384158 /nfs/dbraw/zinc/38/41/58/630384158.db2.gz OAZBFMNQTWCRED-UHFFFAOYSA-N 1 0 312.461 3.215 20 10 DGCDRO Cn1ncc2c1CCC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000840953892 630384250 /nfs/dbraw/zinc/38/42/50/630384250.db2.gz CCFIVZLBVKOATM-UHFFFAOYSA-N 1 0 324.472 3.359 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000840955111 630384403 /nfs/dbraw/zinc/38/44/03/630384403.db2.gz QTWMCNAEVSXSSK-KRWDZBQOSA-N 1 0 301.361 3.230 20 10 DGCDRO COc1cccc(O)c1CNc1ccc(C[NH+](C)C)cc1F ZINC000840957500 630384950 /nfs/dbraw/zinc/38/49/50/630384950.db2.gz IOYPQIJKDQDNNW-UHFFFAOYSA-N 1 0 304.365 3.214 20 10 DGCDRO OCC1([NH2+]Cc2cc(Cl)ccc2O)C2CC3CC(C2)CC1C3 ZINC000840964628 630387597 /nfs/dbraw/zinc/38/75/97/630387597.db2.gz ZLJWXQOANKACNH-UHFFFAOYSA-N 1 0 321.848 3.322 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1O ZINC000840968607 630388045 /nfs/dbraw/zinc/38/80/45/630388045.db2.gz ATEUXVZXDPJICD-GOSISDBHSA-N 1 0 319.445 3.428 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(F)nc1 ZINC000840975373 630389466 /nfs/dbraw/zinc/38/94/66/630389466.db2.gz GNRJIMHYACMWSP-CQSZACIVSA-N 1 0 301.409 3.316 20 10 DGCDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000840975594 630390124 /nfs/dbraw/zinc/39/01/24/630390124.db2.gz ZJINIKJXUVWSQH-HNNXBMFYSA-N 1 0 322.836 3.023 20 10 DGCDRO C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000841028969 630398310 /nfs/dbraw/zinc/39/83/10/630398310.db2.gz KCUVPVRIQTYWIJ-SNVBAGLBSA-N 1 0 308.784 3.494 20 10 DGCDRO COc1cccc(C[NH2+]C[C@H](N)c2ccc(C(C)C)cc2)c1O ZINC000841037457 630400035 /nfs/dbraw/zinc/40/00/35/630400035.db2.gz QPZNKIHABKXUCK-KRWDZBQOSA-N 1 0 314.429 3.314 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(Cl)c(F)c2)cc1 ZINC000841041166 630400652 /nfs/dbraw/zinc/40/06/52/630400652.db2.gz BCTXTWDRQNBJFZ-QGZVFWFLSA-N 1 0 321.827 3.335 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CN)C2CCCCC2)cc1 ZINC000841039401 630400677 /nfs/dbraw/zinc/40/06/77/630400677.db2.gz NLVOZRPHMKQYNE-RURPWVQCSA-N 1 0 301.478 3.263 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(F)cc2Cl)cc1 ZINC000841042943 630401217 /nfs/dbraw/zinc/40/12/17/630401217.db2.gz MZWRKHFZDBMODW-QGZVFWFLSA-N 1 0 321.827 3.335 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841087481 630406143 /nfs/dbraw/zinc/40/61/43/630406143.db2.gz OGGTZBSZPCRDKU-XHDPSFHLSA-N 1 0 312.816 3.149 20 10 DGCDRO C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000841296684 630424441 /nfs/dbraw/zinc/42/44/41/630424441.db2.gz XEKVRXUIDHCAAQ-DYVFJYSZSA-N 1 0 312.417 3.082 20 10 DGCDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299461 630424510 /nfs/dbraw/zinc/42/45/10/630424510.db2.gz GWOPFFXVMDHINO-SFHVURJKSA-N 1 0 324.428 3.007 20 10 DGCDRO C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000841296685 630424535 /nfs/dbraw/zinc/42/45/35/630424535.db2.gz XEKVRXUIDHCAAQ-GUYCJALGSA-N 1 0 312.417 3.082 20 10 DGCDRO [NH3+]Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000841323081 630428639 /nfs/dbraw/zinc/42/86/39/630428639.db2.gz XKIYBSAOUAFUSW-UHFFFAOYSA-N 1 0 324.428 3.067 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)cc1O ZINC000841745278 630461270 /nfs/dbraw/zinc/46/12/70/630461270.db2.gz PJHDAKUMMHNIFG-GPNNCHTKSA-N 1 0 303.789 3.355 20 10 DGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(=O)N1CCCC1 ZINC000841750659 630461992 /nfs/dbraw/zinc/46/19/92/630461992.db2.gz ZOHHYQZRISSXDS-LRDDRELGSA-N 1 0 324.852 3.343 20 10 DGCDRO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(Cl)cc1O ZINC000841753627 630462239 /nfs/dbraw/zinc/46/22/39/630462239.db2.gz FLOSWRSVHMYNFR-LBPRGKRZSA-N 1 0 317.816 3.226 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000841751997 630462526 /nfs/dbraw/zinc/46/25/26/630462526.db2.gz PWDWZITWMNUHAK-IAQYHMDHSA-N 1 0 323.795 3.439 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(C(F)(F)F)cc1O ZINC000841760643 630462840 /nfs/dbraw/zinc/46/28/40/630462840.db2.gz WZCGZZNUYWKICJ-QKCSRTOESA-N 1 0 303.324 3.365 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O ZINC000841764590 630463306 /nfs/dbraw/zinc/46/33/06/630463306.db2.gz GWVNHXHJSIHCKP-KOLCDFICSA-N 1 0 304.768 3.036 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O ZINC000841764593 630463430 /nfs/dbraw/zinc/46/34/30/630463430.db2.gz GWVNHXHJSIHCKP-MWLCHTKSSA-N 1 0 304.768 3.036 20 10 DGCDRO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(Cl)cc1O ZINC000841765447 630463784 /nfs/dbraw/zinc/46/37/84/630463784.db2.gz YNPHNGWNSSXOCI-SECBINFHSA-N 1 0 310.747 3.190 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc2c(cc1O)CCCC2 ZINC000841766000 630463850 /nfs/dbraw/zinc/46/38/50/630463850.db2.gz XWNSYJWUKSTNOS-DOMZBBRYSA-N 1 0 324.415 3.261 20 10 DGCDRO Nc1ccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)cc1 ZINC000841845856 630471208 /nfs/dbraw/zinc/47/12/08/630471208.db2.gz GMVBVTFPHXZDJX-UHFFFAOYSA-N 1 0 309.413 3.063 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2COCc3ccccc32)c1O ZINC000841891771 630473609 /nfs/dbraw/zinc/47/36/09/630473609.db2.gz UOFNLSXWOIMLIA-OAHLLOKOSA-N 1 0 319.788 3.415 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)CC2CCCCC2)c1 ZINC000841893176 630474035 /nfs/dbraw/zinc/47/40/35/630474035.db2.gz FWFVKXBIRDVULK-MRXNPFEDSA-N 1 0 307.434 3.212 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](CO)CC2CCCCC2)c(O)c1 ZINC000841893082 630474321 /nfs/dbraw/zinc/47/43/21/630474321.db2.gz DSELCACQYFMVHE-INIZCTEOSA-N 1 0 307.434 3.212 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000842620157 630554363 /nfs/dbraw/zinc/55/43/63/630554363.db2.gz ZNRNMBXZFRIOEO-CRAIPNDOSA-N 1 0 312.413 3.331 20 10 DGCDRO Oc1ccccc1C[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000842729138 630568807 /nfs/dbraw/zinc/56/88/07/630568807.db2.gz GZQYWHSPQPRTIT-AWEZNQCLSA-N 1 0 301.411 3.425 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2ccc(CO)cc2)ccc1OC ZINC000842732558 630569167 /nfs/dbraw/zinc/56/91/67/630569167.db2.gz RJHSVDNZYKVZPF-UHFFFAOYSA-N 1 0 315.413 3.014 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000842926896 630594487 /nfs/dbraw/zinc/59/44/87/630594487.db2.gz AVYOJJGSRFBQHI-XEZPLFJOSA-N 1 0 324.465 3.207 20 10 DGCDRO C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843045266 630607533 /nfs/dbraw/zinc/60/75/33/630607533.db2.gz TVSCOJVQRVAVMJ-GOSISDBHSA-N 1 0 301.478 3.108 20 10 DGCDRO CCC[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CC[NH2+]CC1 ZINC000843044579 630607849 /nfs/dbraw/zinc/60/78/49/630607849.db2.gz JXSYRZRUPNTUGS-UHFFFAOYSA-N 1 0 312.841 3.018 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000843048121 630608184 /nfs/dbraw/zinc/60/81/84/630608184.db2.gz OAFVERRODSYCKB-NHQAVIFJSA-N 1 0 313.489 3.372 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1c[nH]c(-c2ccccc2)n1 ZINC000843057646 630609461 /nfs/dbraw/zinc/60/94/61/630609461.db2.gz GKQVUPAJUSGJII-UHFFFAOYSA-N 1 0 318.424 3.488 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc(Cl)ccc1O ZINC000843057783 630609637 /nfs/dbraw/zinc/60/96/37/630609637.db2.gz VBDOOXPAGVWNHS-UHFFFAOYSA-N 1 0 302.805 3.457 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000843058584 630609888 /nfs/dbraw/zinc/60/98/88/630609888.db2.gz VVTVUWVNYMJQDB-UHFFFAOYSA-N 1 0 315.348 3.145 20 10 DGCDRO Oc1c(F)cccc1CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000843113671 630615107 /nfs/dbraw/zinc/61/51/07/630615107.db2.gz ATBPVYHILMHMCR-MRXNPFEDSA-N 1 0 320.795 3.331 20 10 DGCDRO Oc1c(F)cccc1CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000843113670 630615287 /nfs/dbraw/zinc/61/52/87/630615287.db2.gz ATBPVYHILMHMCR-INIZCTEOSA-N 1 0 320.795 3.331 20 10 DGCDRO CCCC[C@H](CC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299834 630643839 /nfs/dbraw/zinc/64/38/39/630643839.db2.gz XGBHRFMGYAOBLP-WMLDXEAASA-N 1 0 305.466 3.085 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCOc1cccc(F)c1 ZINC000843349765 630648900 /nfs/dbraw/zinc/64/89/00/630648900.db2.gz AXDQUIXNRJRLPA-UHFFFAOYSA-N 1 0 300.377 3.116 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(O)c1 ZINC000843417078 630654323 /nfs/dbraw/zinc/65/43/23/630654323.db2.gz OWYDAMCQMQWXSM-DOTOQJQBSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000843417039 630654444 /nfs/dbraw/zinc/65/44/44/630654444.db2.gz OHUYYSQTPRAXGP-ZIAGYGMSSA-N 1 0 322.449 3.482 20 10 DGCDRO C[N@H+](Cc1c(O)cccc1Cl)C[C@@]1(O)CCc2ccccc21 ZINC000843422149 630656177 /nfs/dbraw/zinc/65/61/77/630656177.db2.gz VDFSVIBIWGSFBF-SFHVURJKSA-N 1 0 317.816 3.311 20 10 DGCDRO C[N@H+](Cc1cc(Cl)ccc1O)C[C@@]1(O)CCc2ccccc21 ZINC000843422500 630656341 /nfs/dbraw/zinc/65/63/41/630656341.db2.gz WPOXBHNLYFPELT-SFHVURJKSA-N 1 0 317.816 3.311 20 10 DGCDRO CCCC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000843426141 630657073 /nfs/dbraw/zinc/65/70/73/630657073.db2.gz OKPVTTXWTXFMMO-OAHLLOKOSA-N 1 0 301.814 3.085 20 10 DGCDRO COC(=O)c1cccc2c1C[N@H+](Cc1cccc(C)c1O)CC2 ZINC000843430004 630657829 /nfs/dbraw/zinc/65/78/29/630657829.db2.gz LJSZGSWFDBJGAG-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO CC(C)[C@H]1[N@H+](Cc2cc3c(cc2O)OCO3)CC12CC=CC2 ZINC000843431508 630658101 /nfs/dbraw/zinc/65/81/01/630658101.db2.gz FWAPSOWRHDUSLW-QGZVFWFLSA-N 1 0 301.386 3.298 20 10 DGCDRO C[C@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000843431702 630658201 /nfs/dbraw/zinc/65/82/01/630658201.db2.gz BUBJQFCCUMSJIB-LEXSJLIMSA-N 1 0 300.446 3.409 20 10 DGCDRO CC(C)[C@@H]1[N@H+](Cc2cc3c(cc2O)OCO3)CC12CC=CC2 ZINC000843431507 630658295 /nfs/dbraw/zinc/65/82/95/630658295.db2.gz FWAPSOWRHDUSLW-KRWDZBQOSA-N 1 0 301.386 3.298 20 10 DGCDRO CC[NH2+]CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843483556 630661792 /nfs/dbraw/zinc/66/17/92/630661792.db2.gz DPJJDGLBKVSWIR-HNNXBMFYSA-N 1 0 312.413 3.092 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)cc1[O-] ZINC000844925855 630988251 /nfs/dbraw/zinc/98/82/51/630988251.db2.gz VWCLYWSBAUBYAS-INIZCTEOSA-N 1 0 306.356 3.370 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)c1 ZINC000845970642 631204130 /nfs/dbraw/zinc/20/41/30/631204130.db2.gz AXKYLRKDEJWWDD-ZHMBSYLPSA-N 1 0 305.418 3.255 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000845970968 631204139 /nfs/dbraw/zinc/20/41/39/631204139.db2.gz GHBVFZPDWXZXOE-JTQLQIEISA-N 1 0 304.415 3.197 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2cccc(OC)n2)c1 ZINC000845972499 631204299 /nfs/dbraw/zinc/20/42/99/631204299.db2.gz QZQXSKOGOXFJRD-OLZOCXBDSA-N 1 0 316.401 3.086 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3cccc(C)n23)c1 ZINC000845973368 631204407 /nfs/dbraw/zinc/20/44/07/631204407.db2.gz YKNYNWAHUMJZSA-CYBMUJFWSA-N 1 0 311.385 3.208 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1ccccc1F)[C@H](C)O ZINC000846012614 631206148 /nfs/dbraw/zinc/20/61/48/631206148.db2.gz GFJYMOGSTFBKEU-IFXJQAMLSA-N 1 0 316.420 3.412 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1 ZINC000846015743 631206453 /nfs/dbraw/zinc/20/64/53/631206453.db2.gz DFQKJSRLKAUZKL-KPZWWZAWSA-N 1 0 319.376 3.142 20 10 DGCDRO CCc1oc(C[NH2+]Cc2cc(Cl)ccc2O)cc1C(=O)OC ZINC000846055449 631208737 /nfs/dbraw/zinc/20/87/37/631208737.db2.gz METUCEBGPMBYKB-UHFFFAOYSA-N 1 0 323.776 3.277 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(C(F)(F)F)cc1O ZINC000846096657 631209391 /nfs/dbraw/zinc/20/93/91/631209391.db2.gz JMIANYDKOJHBAU-ZYHUDNBSSA-N 1 0 309.303 3.172 20 10 DGCDRO CCOc1ncccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846139042 631211344 /nfs/dbraw/zinc/21/13/44/631211344.db2.gz OQTQUFDIZZVJKF-GFCCVEGCSA-N 1 0 302.374 3.045 20 10 DGCDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)N(C)C ZINC000846139076 631211435 /nfs/dbraw/zinc/21/14/35/631211435.db2.gz POMRTQWLKCAROH-BBRMVZONSA-N 1 0 308.466 3.418 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1O ZINC000846138219 631211469 /nfs/dbraw/zinc/21/14/69/631211469.db2.gz ZLRBYJOXGCXMBS-SWLSCSKDSA-N 1 0 320.458 3.416 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccccc2C)c1O ZINC000846141628 631211505 /nfs/dbraw/zinc/21/15/05/631211505.db2.gz LAYSKZOXPCEXBP-AWEZNQCLSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)c1O ZINC000846142799 631211611 /nfs/dbraw/zinc/21/16/11/631211611.db2.gz CKMPCGJIFYHTHX-XWCIJXRUSA-N 1 0 319.376 3.313 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@@H](C)C2)c1O ZINC000846140508 631211640 /nfs/dbraw/zinc/21/16/40/631211640.db2.gz VPNVWKGMWRVJFT-KFWWJZLASA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)c1O ZINC000846142743 631211689 /nfs/dbraw/zinc/21/16/89/631211689.db2.gz VUCSIPPKGYJTJS-HUUCEWRRSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCCCn2ccnc2C)c1O ZINC000846144566 631211741 /nfs/dbraw/zinc/21/17/41/631211741.db2.gz HWUFHXPEMQYZHT-CYBMUJFWSA-N 1 0 303.406 3.037 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1O ZINC000846144337 631211886 /nfs/dbraw/zinc/21/18/86/631211886.db2.gz KMAYGKQSOMIXGC-BDJLRTHQSA-N 1 0 307.415 3.021 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)c1O ZINC000846145292 631212037 /nfs/dbraw/zinc/21/20/37/631212037.db2.gz PFQPSRGKCQSQSY-CZUORRHYSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c1O ZINC000846146994 631212155 /nfs/dbraw/zinc/21/21/55/631212155.db2.gz UBSLOJPYVSKLDM-XJKSGUPXSA-N 1 0 301.386 3.093 20 10 DGCDRO CCc1cnc(CC[NH2+][C@@H](C)c2cccc(OC)c2O)s1 ZINC000846149425 631212270 /nfs/dbraw/zinc/21/22/70/631212270.db2.gz ZHJVYDZSBRPSTH-NSHDSACASA-N 1 0 306.431 3.313 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1O ZINC000846161350 631212758 /nfs/dbraw/zinc/21/27/58/631212758.db2.gz YAXRVQFVVYWUMS-KYABYICQSA-N 1 0 317.429 3.399 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1O ZINC000846161348 631212843 /nfs/dbraw/zinc/21/28/43/631212843.db2.gz YAXRVQFVVYWUMS-GGBBIFEXSA-N 1 0 317.429 3.399 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)c1O ZINC000846165038 631213001 /nfs/dbraw/zinc/21/30/01/631213001.db2.gz KMHVMJGNBXMZJJ-UGSOOPFHSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1O ZINC000846165678 631213108 /nfs/dbraw/zinc/21/31/08/631213108.db2.gz XHSCWUZGTRKEKH-ZDUSSCGKSA-N 1 0 315.413 3.479 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c1O ZINC000846173321 631213617 /nfs/dbraw/zinc/21/36/17/631213617.db2.gz RBNRFVOOALFJGD-RISCZKNCSA-N 1 0 317.360 3.194 20 10 DGCDRO CC[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Cl)ccc1O ZINC000846214829 631215190 /nfs/dbraw/zinc/21/51/90/631215190.db2.gz WYNYDTRWWGVPDX-GOEBONIOSA-N 1 0 313.825 3.018 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1CC1CCCC1)[C@H](O)CO2 ZINC000848505341 631671124 /nfs/dbraw/zinc/67/11/24/631671124.db2.gz IWISAMYOHHWDMJ-CRAIPNDOSA-N 1 0 317.429 3.363 20 10 DGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c1O ZINC000848526954 631678249 /nfs/dbraw/zinc/67/82/49/631678249.db2.gz MXEVIKPKYFJZPP-GUBZILKMSA-N 1 0 314.223 3.470 20 10 DGCDRO CCOc1cccc(C[NH2+]CCc2ncc(C)cc2C)c1O ZINC000848565107 631694846 /nfs/dbraw/zinc/69/48/46/631694846.db2.gz SMABJVZOTXAGNL-UHFFFAOYSA-N 1 0 300.402 3.135 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1O ZINC000848882620 631769413 /nfs/dbraw/zinc/76/94/13/631769413.db2.gz VZLCDWQNYNHVLU-CQSZACIVSA-N 1 0 317.351 3.498 20 10 DGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000848883468 631770649 /nfs/dbraw/zinc/77/06/49/631770649.db2.gz FQTWJCFFNAKQHH-HNNXBMFYSA-N 1 0 318.461 3.083 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)c1O ZINC000848889703 631773409 /nfs/dbraw/zinc/77/34/09/631773409.db2.gz ANRUKACKHQJQSN-UHFFFAOYSA-N 1 0 321.424 3.489 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000848898404 631777930 /nfs/dbraw/zinc/77/79/30/631777930.db2.gz BTBCOUOEEMRLIW-NVXWUHKLSA-N 1 0 307.459 3.099 20 10 DGCDRO CCc1cccc(C[NH2+]CC(=O)Nc2c(C)cccc2C)c1O ZINC000848899166 631778967 /nfs/dbraw/zinc/77/89/67/631778967.db2.gz DGHZKXLWBBXICD-UHFFFAOYSA-N 1 0 312.413 3.300 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cccc(CC)c1O ZINC000848898831 631778991 /nfs/dbraw/zinc/77/89/91/631778991.db2.gz HSMLNNPCYDDMDB-UHFFFAOYSA-N 1 0 301.434 3.103 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000848906424 631781738 /nfs/dbraw/zinc/78/17/38/631781738.db2.gz VEAPSSJSELDXNY-KRWDZBQOSA-N 1 0 313.445 3.379 20 10 DGCDRO CCc1cccc(C[N@H+](CC)CC(=O)N2CCCCCC2)c1O ZINC000848910661 631782643 /nfs/dbraw/zinc/78/26/43/631782643.db2.gz MBQPLMPVIUEGNG-UHFFFAOYSA-N 1 0 318.461 3.179 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000848920064 631787747 /nfs/dbraw/zinc/78/77/47/631787747.db2.gz WSOFSLPQOUEKCD-PXAZEXFGSA-N 1 0 303.377 3.305 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)OC3(CCCCC3)C2)c1 ZINC000848929303 631792620 /nfs/dbraw/zinc/79/26/20/631792620.db2.gz VOAYPKHNWNUSPB-CQSZACIVSA-N 1 0 305.418 3.324 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850279271 632101028 /nfs/dbraw/zinc/10/10/28/632101028.db2.gz WUKLVYYTYQXPGH-LRDDRELGSA-N 1 0 307.434 3.213 20 10 DGCDRO COc1cc(C[NH2+][C@H](CO)CC2CCC2)c(O)c(C(C)(C)C)c1 ZINC000850281349 632102837 /nfs/dbraw/zinc/10/28/37/632102837.db2.gz IYPAGZWCHSWJRN-HNNXBMFYSA-N 1 0 321.461 3.339 20 10 DGCDRO COc1cc(C[NH2+]Cc2cc(C)nn2C)c(O)c(C(C)(C)C)c1 ZINC000850287551 632104410 /nfs/dbraw/zinc/10/44/10/632104410.db2.gz ADUNNEWDMTZDBA-UHFFFAOYSA-N 1 0 317.433 3.030 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(C)(C)O ZINC000850311435 632111372 /nfs/dbraw/zinc/11/13/72/632111372.db2.gz VLOFXSFOYABXKO-OAHLLOKOSA-N 1 0 309.450 3.337 20 10 DGCDRO COc1cc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850311716 632111697 /nfs/dbraw/zinc/11/16/97/632111697.db2.gz ZJWVGISVZVBLDO-BFUOFWGJSA-N 1 0 321.461 3.339 20 10 DGCDRO CCCn1nccc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000850326617 632113888 /nfs/dbraw/zinc/11/38/88/632113888.db2.gz AIIUGPYSFWVMNM-MRXNPFEDSA-N 1 0 314.477 3.388 20 10 DGCDRO Cc1nc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)[nH]c1C ZINC000850326754 632114226 /nfs/dbraw/zinc/11/42/26/632114226.db2.gz CRKPTSDXWDTHRL-ZDUSSCGKSA-N 1 0 300.450 3.122 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ncc(Cl)s3)C2)cc1 ZINC000850347113 632120776 /nfs/dbraw/zinc/12/07/76/632120776.db2.gz NQKJIEGOWOMTSC-LLVKDONJSA-N 1 0 323.849 3.174 20 10 DGCDRO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000850347327 632120973 /nfs/dbraw/zinc/12/09/73/632120973.db2.gz QILLTNOCTFANHT-JFIYKMOQSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ncc(Cl)s3)C2)cc1 ZINC000850347114 632121069 /nfs/dbraw/zinc/12/10/69/632121069.db2.gz NQKJIEGOWOMTSC-NSHDSACASA-N 1 0 323.849 3.174 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c(Cl)c1 ZINC000850354827 632123112 /nfs/dbraw/zinc/12/31/12/632123112.db2.gz BBZRFHFCORIAGZ-XAAFQQQXSA-N 1 0 315.866 3.133 20 10 DGCDRO Oc1ccccc1C[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000850355882 632123982 /nfs/dbraw/zinc/12/39/82/632123982.db2.gz MGKKNLZTBRKAGF-AWEZNQCLSA-N 1 0 303.324 3.372 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C/C=C/CO)cc1 ZINC000850357519 632124523 /nfs/dbraw/zinc/12/45/23/632124523.db2.gz MELYYQFDKZMLOJ-VOTSOKGWSA-N 1 0 310.441 3.351 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2COC3(CCC3)C2)ccc1OC ZINC000850367267 632126920 /nfs/dbraw/zinc/12/69/20/632126920.db2.gz BKVSGLFRGOTWKG-INIZCTEOSA-N 1 0 305.418 3.033 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000850375044 632131138 /nfs/dbraw/zinc/13/11/38/632131138.db2.gz VMALSHKKFVOREX-RZDIXWSQSA-N 1 0 313.397 3.491 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C1CC1 ZINC000850382345 632133919 /nfs/dbraw/zinc/13/39/19/632133919.db2.gz SGIHSRZVCUKVDD-LBPRGKRZSA-N 1 0 314.223 3.442 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@@]2(C)CC2(C)C)c1O ZINC000850400128 632139900 /nfs/dbraw/zinc/13/99/00/632139900.db2.gz ZVHAMVZLMXLWSX-AWEZNQCLSA-N 1 0 314.223 3.442 20 10 DGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850405860 632142556 /nfs/dbraw/zinc/14/25/56/632142556.db2.gz IEFZHNOMWGEMSW-NVXWUHKLSA-N 1 0 302.462 3.316 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c1O ZINC000850412265 632144371 /nfs/dbraw/zinc/14/43/71/632144371.db2.gz VICIHGLBJAZJGX-RHSMWYFYSA-N 1 0 315.413 3.045 20 10 DGCDRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O)c1ccccc1 ZINC000850415374 632145846 /nfs/dbraw/zinc/14/58/46/632145846.db2.gz VBQXOXKNWPVVPL-QZTJIDSGSA-N 1 0 324.424 3.223 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cccc(OC)c2C)c1O ZINC000850416497 632146013 /nfs/dbraw/zinc/14/60/13/632146013.db2.gz JYKLHISXSDNJNM-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000850474321 632163462 /nfs/dbraw/zinc/16/34/62/632163462.db2.gz MAPBDKFONLYOIF-YJBOKZPZSA-N 1 0 312.461 3.313 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1ccccc1O ZINC000850484024 632165972 /nfs/dbraw/zinc/16/59/72/632165972.db2.gz ASNYBICVLXWGEX-SFHVURJKSA-N 1 0 312.413 3.269 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(F)ccc1O ZINC000850485359 632166859 /nfs/dbraw/zinc/16/68/59/632166859.db2.gz GHNUQGZIPGADPL-MRVPVSSYSA-N 1 0 315.270 3.191 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C3CCSCC3)C2)cc1 ZINC000850486825 632167731 /nfs/dbraw/zinc/16/77/31/632167731.db2.gz DHBLNYXVFKTFAJ-GOEBONIOSA-N 1 0 320.502 3.395 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cscn3)C2)cc1 ZINC000850487757 632168163 /nfs/dbraw/zinc/16/81/63/632168163.db2.gz JFROPCAAZVZXBL-STQMWFEESA-N 1 0 303.431 3.081 20 10 DGCDRO COC[C@@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 ZINC000850489464 632168274 /nfs/dbraw/zinc/16/82/74/632168274.db2.gz USHXXSIDPCDGOY-QFBILLFUSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000850488132 632168401 /nfs/dbraw/zinc/16/84/01/632168401.db2.gz QKIAABOQFKMGCE-IPELMVKDSA-N 1 0 300.446 3.442 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cc(Cl)ccc1O ZINC000850502944 632173271 /nfs/dbraw/zinc/17/32/71/632173271.db2.gz TVPLUIFYQZEBLE-MNIFOHHSSA-N 1 0 315.866 3.386 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1ccccc1O)c1cccc(OC)c1 ZINC000850515176 632176458 /nfs/dbraw/zinc/17/64/58/632176458.db2.gz UBCCMHJETZWKAD-CXAGYDPISA-N 1 0 301.386 3.439 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000850515349 632176610 /nfs/dbraw/zinc/17/66/10/632176610.db2.gz WVCQRBCFIJDZJX-YUSALJHKSA-N 1 0 314.223 3.373 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c(O)c1 ZINC000850532131 632183502 /nfs/dbraw/zinc/18/35/02/632183502.db2.gz JZXDWGYJKFABIW-BJJXKVORSA-N 1 0 311.372 3.474 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2c(C3CC3)cnn2C)c2c1c(F)ccc2O ZINC000850535600 632185338 /nfs/dbraw/zinc/18/53/38/632185338.db2.gz XRRHKDLLUYEDOC-QMTHXVAHSA-N 1 0 315.392 3.480 20 10 DGCDRO C[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1cc(F)ccc1O ZINC000850536647 632186133 /nfs/dbraw/zinc/18/61/33/632186133.db2.gz IPGLNOJVUOKXQZ-QMTHXVAHSA-N 1 0 305.324 3.325 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CN2CCC(C)CC2)c1O ZINC000850543564 632187795 /nfs/dbraw/zinc/18/77/95/632187795.db2.gz MHCVOBAGGMERJY-HUUCEWRRSA-N 1 0 306.450 3.172 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O ZINC000850557944 632192745 /nfs/dbraw/zinc/19/27/45/632192745.db2.gz ORZLOYSSXWENSJ-HOCLYGCPSA-N 1 0 318.461 3.388 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c(O)c1C ZINC000850562641 632194445 /nfs/dbraw/zinc/19/44/45/632194445.db2.gz OTAXNBULJGMMGH-BEFAXECRSA-N 1 0 321.461 3.227 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)CC1 ZINC000850568870 632197295 /nfs/dbraw/zinc/19/72/95/632197295.db2.gz LTWCEOMYPRTIIW-MRXNPFEDSA-N 1 0 320.502 3.023 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](C)O)c1O ZINC000850585483 632203207 /nfs/dbraw/zinc/20/32/07/632203207.db2.gz YPJLPYVBZVWWOZ-GDZNZVCISA-N 1 0 301.386 3.174 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851678035 632469223 /nfs/dbraw/zinc/46/92/23/632469223.db2.gz MWPDDOMFGHYDFX-MRXNPFEDSA-N 1 0 321.465 3.077 20 10 DGCDRO COc1ccc(N2CCC[N@@H+](C[C@@H](OC)C3CCC3)CC2)cc1 ZINC000851732713 632477989 /nfs/dbraw/zinc/47/79/89/632477989.db2.gz BCTJZNBBAQXLPP-LJQANCHMSA-N 1 0 318.461 3.022 20 10 DGCDRO CC1(C)OC[C@@H](C[N@H+](Cc2ccccc2O)C2CCCC2)O1 ZINC000851771619 632489428 /nfs/dbraw/zinc/48/94/28/632489428.db2.gz KJGXLNLSNBPEHX-MRXNPFEDSA-N 1 0 305.418 3.288 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000851792101 632495017 /nfs/dbraw/zinc/49/50/17/632495017.db2.gz KTMVVQTVYVHIRJ-DJIMGWMZSA-N 1 0 316.445 3.052 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2CCCCC2)c1 ZINC000184847663 660190927 /nfs/dbraw/zinc/19/09/27/660190927.db2.gz DKLLEJZDTMRGMA-AWEZNQCLSA-N 1 0 306.450 3.316 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000184948256 660196495 /nfs/dbraw/zinc/19/64/95/660196495.db2.gz YEYJTDCVRRHKRD-SCLBCKFNSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000184948194 660196500 /nfs/dbraw/zinc/19/65/00/660196500.db2.gz YEYJTDCVRRHKRD-ACJLOTCBSA-N 1 0 301.386 3.093 20 10 DGCDRO CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185443131 660223273 /nfs/dbraw/zinc/22/32/73/660223273.db2.gz BZZKCVXWYFOUIL-LSDHHAIUSA-N 1 0 306.450 3.316 20 10 DGCDRO c1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000073052567 660237789 /nfs/dbraw/zinc/23/77/89/660237789.db2.gz FXJPHEGAXUCUAG-HXUWFJFHSA-N 1 0 308.425 3.300 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1O ZINC000186134807 660269906 /nfs/dbraw/zinc/26/99/06/660269906.db2.gz OLDZWANXHZWIQG-YOEHRIQHSA-N 1 0 310.397 3.238 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C=C(C)C)C2)cc1C ZINC000998452244 660389729 /nfs/dbraw/zinc/38/97/29/660389729.db2.gz IGWQLULKMXBLDL-KRWDZBQOSA-N 1 0 316.445 3.050 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000701057627 660653528 /nfs/dbraw/zinc/65/35/28/660653528.db2.gz NKRWFKIQQNHPDA-SNVBAGLBSA-N 1 0 306.150 3.432 20 10 DGCDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000701914417 660691531 /nfs/dbraw/zinc/69/15/31/660691531.db2.gz FPVZLLLBCOQPSA-TZMCWYRMSA-N 1 0 320.433 3.225 20 10 DGCDRO CCC[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)OCC ZINC000705354922 660837456 /nfs/dbraw/zinc/83/74/56/660837456.db2.gz YVKBHLOLYLVFCD-CYBMUJFWSA-N 1 0 301.814 3.349 20 10 DGCDRO C[C@H](Cc1ccco1)[NH2+]Cc1c(O)cccc1Br ZINC000706804619 660873543 /nfs/dbraw/zinc/87/35/43/660873543.db2.gz MFKJORUYVGSRCY-SNVBAGLBSA-N 1 0 310.191 3.469 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1Br)C[C@@H]1CCCCO1 ZINC000707147177 660893680 /nfs/dbraw/zinc/89/36/80/660893680.db2.gz VBNSVGQXTCJLAK-NSHDSACASA-N 1 0 314.223 3.156 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCCO)C2CC2)c(C(F)(F)F)c1 ZINC000792822324 660986681 /nfs/dbraw/zinc/98/66/81/660986681.db2.gz LZMBTBBEXGRNNT-UHFFFAOYSA-N 1 0 316.367 3.118 20 10 DGCDRO COC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792824627 660987131 /nfs/dbraw/zinc/98/71/31/660987131.db2.gz OEPAQNBSMWMCJF-GFCCVEGCSA-N 1 0 316.367 3.240 20 10 DGCDRO CCOCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792893468 660992199 /nfs/dbraw/zinc/99/21/99/660992199.db2.gz BVAFLBBWMOYEEP-UHFFFAOYSA-N 1 0 304.356 3.288 20 10 DGCDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793083291 661004116 /nfs/dbraw/zinc/00/41/16/661004116.db2.gz BRXDPUWQVCNKMO-MUBLQREKSA-N 1 0 316.367 3.188 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3ccc(OC)cc3C2)c(O)c1 ZINC000793386560 661029173 /nfs/dbraw/zinc/02/91/73/661029173.db2.gz WNDOJXCLHBVKJF-INIZCTEOSA-N 1 0 313.397 3.057 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)c(O)c1 ZINC000793386411 661029333 /nfs/dbraw/zinc/02/93/33/661029333.db2.gz PGEMPDZYXXCZDP-OAHLLOKOSA-N 1 0 313.397 3.057 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c(O)c1 ZINC000793389094 661029342 /nfs/dbraw/zinc/02/93/42/661029342.db2.gz VMJIBHYLUNJJHU-UHFFFAOYSA-N 1 0 322.748 3.252 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c1 ZINC000793607017 661049511 /nfs/dbraw/zinc/04/95/11/661049511.db2.gz YRCDXEUZBVRAIB-CYBMUJFWSA-N 1 0 308.422 3.094 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(C)cc1O ZINC000794797867 661105714 /nfs/dbraw/zinc/10/57/14/661105714.db2.gz QNCIAEFSXDGYHU-QGZVFWFLSA-N 1 0 316.445 3.142 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(C)cc1O ZINC000794810553 661106519 /nfs/dbraw/zinc/10/65/19/661106519.db2.gz LUVWSAZWJZNEKO-YOEHRIQHSA-N 1 0 303.402 3.186 20 10 DGCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@@H+](C2CCC2)C1 ZINC000795119576 661127785 /nfs/dbraw/zinc/12/77/85/661127785.db2.gz GEIAUQJGAIRJHT-MRXNPFEDSA-N 1 0 301.478 3.059 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCc3ccccc3CC2)cc1OC ZINC000160268229 655559420 /nfs/dbraw/zinc/55/94/20/655559420.db2.gz JDJZNKVFTCLRNX-UHFFFAOYSA-N 1 0 313.397 3.010 20 10 DGCDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000307768695 655654947 /nfs/dbraw/zinc/65/49/47/655654947.db2.gz HTCNUDQREIVWKP-CYBMUJFWSA-N 1 0 314.223 3.156 20 10 DGCDRO O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000261825681 655675387 /nfs/dbraw/zinc/67/53/87/655675387.db2.gz HQQPRGLJGJZCLP-UHFFFAOYSA-N 1 0 307.397 3.142 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000078878750 655710819 /nfs/dbraw/zinc/71/08/19/655710819.db2.gz IZTTWCCCOMTIJM-QGZVFWFLSA-N 1 0 300.402 3.093 20 10 DGCDRO CC1=C(C)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000796018152 661185695 /nfs/dbraw/zinc/18/56/95/661185695.db2.gz OIXZNGNCSRORJA-UHFFFAOYSA-N 1 0 304.409 3.204 20 10 DGCDRO C[C@H]([NH2+]CC1CCSCC1)c1ccc(N2CCOCC2)cc1 ZINC000268880195 655866690 /nfs/dbraw/zinc/86/66/90/655866690.db2.gz LJFHGDSJJSMFLZ-HNNXBMFYSA-N 1 0 320.502 3.317 20 10 DGCDRO CCCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023805620 655867405 /nfs/dbraw/zinc/86/74/05/655867405.db2.gz ULAAJLQPMVEKRD-QGZVFWFLSA-N 1 0 318.461 3.132 20 10 DGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cccs3)SC2=S)CC1 ZINC000255867449 655920523 /nfs/dbraw/zinc/92/05/23/655920523.db2.gz RJIUAYCLTJTZPF-FMIVXFBMSA-N 1 0 324.496 3.044 20 10 DGCDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000066080668 655931383 /nfs/dbraw/zinc/93/13/83/655931383.db2.gz GFNSENKXGVXBAU-AWEZNQCLSA-N 1 0 312.413 3.023 20 10 DGCDRO CC(C)OCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178191977 655957940 /nfs/dbraw/zinc/95/79/40/655957940.db2.gz KPHKJHPDJCYZEE-HNNXBMFYSA-N 1 0 324.440 3.128 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000715146623 661208579 /nfs/dbraw/zinc/20/85/79/661208579.db2.gz OKWIASASWIMLBA-MCIONIFRSA-N 1 0 320.433 3.346 20 10 DGCDRO c1cnn(-c2ccccc2C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000236600071 655995468 /nfs/dbraw/zinc/99/54/68/655995468.db2.gz KOHRUNROIZPQJS-UHFFFAOYSA-N 1 0 305.381 3.097 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)c2cccc(F)c2)c(O)c1OC ZINC000892749558 656035233 /nfs/dbraw/zinc/03/52/33/656035233.db2.gz PBOVUEIMDCRBHE-GFCCVEGCSA-N 1 0 319.376 3.442 20 10 DGCDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000037156666 661217064 /nfs/dbraw/zinc/21/70/64/661217064.db2.gz GSRWROZQRDOIEC-OAHLLOKOSA-N 1 0 307.825 3.447 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000182412005 656105783 /nfs/dbraw/zinc/10/57/83/656105783.db2.gz IHHLZPWEPCKXQW-LBPRGKRZSA-N 1 0 315.369 3.023 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ncc(C)c(OC)c2C)c1 ZINC000183783294 656114604 /nfs/dbraw/zinc/11/46/04/656114604.db2.gz UBTPIARKPXWLIB-UHFFFAOYSA-N 1 0 316.401 3.053 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184912544 656122160 /nfs/dbraw/zinc/12/21/60/656122160.db2.gz PGFJTRQWEVZCGE-OAGGEKHMSA-N 1 0 320.477 3.239 20 10 DGCDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185530392 656127374 /nfs/dbraw/zinc/12/73/74/656127374.db2.gz HYHNYFONJJPOPT-JSGCOSHPSA-N 1 0 305.443 3.310 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1O ZINC000186134789 656130633 /nfs/dbraw/zinc/13/06/33/656130633.db2.gz OLDZWANXHZWIQG-RHSMWYFYSA-N 1 0 310.397 3.238 20 10 DGCDRO CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2ccccc2O)CC1 ZINC000189999424 656158679 /nfs/dbraw/zinc/15/86/79/656158679.db2.gz IEWLMGLTPDEOCL-UHFFFAOYSA-N 1 0 320.433 3.271 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OCC3CC3)cc2)c1 ZINC000191057462 656166006 /nfs/dbraw/zinc/16/60/06/656166006.db2.gz HBTBRCZEXMNUND-UHFFFAOYSA-N 1 0 313.397 3.479 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1ccccc1O ZINC000930222291 661239495 /nfs/dbraw/zinc/23/94/95/661239495.db2.gz OIDDFRCSAXHZEC-LBPRGKRZSA-N 1 0 313.323 3.385 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C(C)C)C2)cc1C ZINC000980921088 656596325 /nfs/dbraw/zinc/59/63/25/656596325.db2.gz GZOMYRXVOKJTMQ-DLBZAZTESA-N 1 0 318.461 3.177 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)C(C)C)C2)cc1C ZINC000980921090 656596479 /nfs/dbraw/zinc/59/64/79/656596479.db2.gz GZOMYRXVOKJTMQ-IRXDYDNUSA-N 1 0 318.461 3.177 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)cc1 ZINC000236922208 656984300 /nfs/dbraw/zinc/98/43/00/656984300.db2.gz UMIMIEOASDBOCC-HXUWFJFHSA-N 1 0 312.457 3.226 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C(C)(C)C)cc1C ZINC001045284873 657006584 /nfs/dbraw/zinc/00/65/84/657006584.db2.gz VSPYIPJGJOVVOI-INIZCTEOSA-N 1 0 318.461 3.130 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)C1(CC)CC ZINC000236975752 657028127 /nfs/dbraw/zinc/02/81/27/657028127.db2.gz SQAQWNGWIIWHPU-SJORKVTESA-N 1 0 307.434 3.474 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)C1(CC)CC ZINC000236988941 657036285 /nfs/dbraw/zinc/03/62/85/657036285.db2.gz XKQAPYKVJUGZID-HOTGVXAUSA-N 1 0 307.434 3.474 20 10 DGCDRO COc1cc(C[N@@H+]2CCCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000178891848 657097236 /nfs/dbraw/zinc/09/72/36/657097236.db2.gz KIZWFWZPDKKLHF-CYBMUJFWSA-N 1 0 307.434 3.309 20 10 DGCDRO CCCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001047680957 657304125 /nfs/dbraw/zinc/30/41/25/657304125.db2.gz NZWCYMMKJXMVSN-RDJZCZTQSA-N 1 0 318.461 3.130 20 10 DGCDRO CC1CCN(C(=[NH2+])NCc2c(O)ccc3c2CCCC3)CC1 ZINC000304333642 657625069 /nfs/dbraw/zinc/62/50/69/657625069.db2.gz RPXDFAHRKUEYGV-UHFFFAOYSA-N 1 0 301.434 3.027 20 10 DGCDRO CCC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccccc1O ZINC000303129820 657666845 /nfs/dbraw/zinc/66/68/45/657666845.db2.gz BSGGWCYJNCWPKT-INIZCTEOSA-N 1 0 320.477 3.497 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321328301 658165048 /nfs/dbraw/zinc/16/50/48/658165048.db2.gz JBNHCRWPDACELV-NXEZZACHSA-N 1 0 315.348 3.113 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CC(C)C)C2)cc1C ZINC000987836348 658273063 /nfs/dbraw/zinc/27/30/63/658273063.db2.gz SLSRECVWMCMZSR-RDJZCZTQSA-N 1 0 318.461 3.129 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C=C(C)C)C2)cc1C ZINC000987918993 658285547 /nfs/dbraw/zinc/28/55/47/658285547.db2.gz PFZNQPLFSIKPDW-WBVHZDCISA-N 1 0 316.445 3.049 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)cc1 ZINC000163477466 658412881 /nfs/dbraw/zinc/41/28/81/658412881.db2.gz LTIZXBIIUSPFLT-APWZRJJASA-N 1 0 320.477 3.379 20 10 DGCDRO C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C[NH3+] ZINC000163484068 658451590 /nfs/dbraw/zinc/45/15/90/658451590.db2.gz OMKRMGYFWZUHIF-KOLCDFICSA-N 1 0 303.233 3.116 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(Br)cc2)c1 ZINC000042352887 658769147 /nfs/dbraw/zinc/76/91/47/658769147.db2.gz UCXVUMIRKFBUMN-UHFFFAOYSA-N 1 0 322.202 3.453 20 10 DGCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164007584 658912000 /nfs/dbraw/zinc/91/20/00/658912000.db2.gz PCHGPLCHZCPGCC-UHFFFAOYSA-N 1 0 318.461 3.137 20 10 DGCDRO COC(=O)CCC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164474989 658936746 /nfs/dbraw/zinc/93/67/46/658936746.db2.gz KOMFPYOWIARIJG-UHFFFAOYSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000156776740 658942777 /nfs/dbraw/zinc/94/27/77/658942777.db2.gz OARNDDJVHUEVRT-LPHOPBHVSA-N 1 0 310.441 3.311 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccoc1 ZINC000165200016 658969911 /nfs/dbraw/zinc/96/99/11/658969911.db2.gz CPVVWOFLSIVHLR-CYBMUJFWSA-N 1 0 304.365 3.106 20 10 DGCDRO CC[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000158213206 659150672 /nfs/dbraw/zinc/15/06/72/659150672.db2.gz BRUNNPZREDULLO-VQIMIIECSA-N 1 0 320.477 3.237 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1cc(Br)ccc1O ZINC000228067097 659172412 /nfs/dbraw/zinc/17/24/12/659172412.db2.gz SJROXWXYSKCPAT-CWSCBRNRSA-N 1 0 316.239 3.355 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCS2)c1O ZINC000228677837 659203159 /nfs/dbraw/zinc/20/31/59/659203159.db2.gz FXTVVIYKBGMGTK-GFCCVEGCSA-N 1 0 301.839 3.430 20 10 DGCDRO CCc1cc(C[N@@H+]2CCO[C@H](COC)C2)c(O)c(C(C)(C)C)c1 ZINC000172920025 659363906 /nfs/dbraw/zinc/36/39/06/659363906.db2.gz QYWFOQHGIUKCGR-INIZCTEOSA-N 1 0 321.461 3.099 20 10 DGCDRO C[C@H]1CSCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000179664099 659938006 /nfs/dbraw/zinc/93/80/06/659938006.db2.gz QTWWDVWLRNPXTH-VIFPVBQESA-N 1 0 302.237 3.092 20 10 DGCDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000180024791 659949545 /nfs/dbraw/zinc/94/95/45/659949545.db2.gz CKOVFPBNSALMLV-OAHLLOKOSA-N 1 0 320.433 3.224 20 10 DGCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000180067801 659951733 /nfs/dbraw/zinc/95/17/33/659951733.db2.gz BAYUXPSARSMERA-HNNXBMFYSA-N 1 0 320.433 3.142 20 10 DGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)ccc2O)C12CCC2 ZINC000180749156 659969306 /nfs/dbraw/zinc/96/93/06/659969306.db2.gz FXAXBWWGAZKLHM-IAGOWNOFSA-N 1 0 305.418 3.180 20 10 DGCDRO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)o1 ZINC000182336916 660044689 /nfs/dbraw/zinc/04/46/89/660044689.db2.gz OQVFJAWIBYLILS-LLVKDONJSA-N 1 0 319.357 3.021 20 10 DGCDRO CCN(CC[NH2+][C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000183484693 660117878 /nfs/dbraw/zinc/11/78/78/660117878.db2.gz XCBMHTLYKQOAMK-CYBMUJFWSA-N 1 0 308.422 3.300 20 10 DGCDRO CC(=O)NCCCCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000929634860 661322934 /nfs/dbraw/zinc/32/29/34/661322934.db2.gz JGMKPTUVSSMEEH-UHFFFAOYSA-N 1 0 318.461 3.443 20 10 DGCDRO FC1(C2CC2)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000932629931 661587863 /nfs/dbraw/zinc/58/78/63/661587863.db2.gz VVYLVKCHSJAGTI-UHFFFAOYSA-N 1 0 318.436 3.237 20 10 DGCDRO C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(N(C)C)cc1 ZINC000155498759 661848059 /nfs/dbraw/zinc/84/80/59/661848059.db2.gz OQTBXFPVIRFGLN-MRXNPFEDSA-N 1 0 317.477 3.196 20 10 DGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(C)ccc2O)CC1 ZINC000189365339 661976195 /nfs/dbraw/zinc/97/61/95/661976195.db2.gz KNJOJDDXUCVOOU-CQSZACIVSA-N 1 0 320.433 3.047 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](OC)C3)c2c1 ZINC000076266333 661976292 /nfs/dbraw/zinc/97/62/92/661976292.db2.gz OTTGFRXTDBBSQE-OAHLLOKOSA-N 1 0 301.386 3.165 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1F ZINC000189979209 662000201 /nfs/dbraw/zinc/00/02/01/662000201.db2.gz PANXXCKLAATLER-RDJZCZTQSA-N 1 0 308.441 3.313 20 10 DGCDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000191567278 662072864 /nfs/dbraw/zinc/07/28/64/662072864.db2.gz OQKHJLIHKYHOAO-LPHOPBHVSA-N 1 0 312.457 3.315 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000191587788 662073061 /nfs/dbraw/zinc/07/30/61/662073061.db2.gz HEDKTUSMSQFQRF-QFBILLFUSA-N 1 0 312.457 3.315 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c1O ZINC000191779898 662080642 /nfs/dbraw/zinc/08/06/42/662080642.db2.gz ZXIXMHNCZZBPLL-JXFKEZNVSA-N 1 0 313.441 3.420 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000090795445 662278073 /nfs/dbraw/zinc/27/80/73/662278073.db2.gz WGTBAGIQGSFAES-YWZLYKJASA-N 1 0 310.441 3.237 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000246849829 662286500 /nfs/dbraw/zinc/28/65/00/662286500.db2.gz BYFHATWNLSRRIA-ALKREAHSSA-N 1 0 301.478 3.419 20 10 DGCDRO C[N@H+](Cc1ccccc1O)Cc1cc(Br)ccc1O ZINC000091956425 662325179 /nfs/dbraw/zinc/32/51/79/662325179.db2.gz NLIJAZDYNHPZOV-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000091974668 662325976 /nfs/dbraw/zinc/32/59/76/662325976.db2.gz XEUIDGAZFSDXBQ-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000248497387 662349992 /nfs/dbraw/zinc/34/99/92/662349992.db2.gz LTINEIPKWMNXIG-KFWWJZLASA-N 1 0 306.450 3.172 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000248587922 662354539 /nfs/dbraw/zinc/35/45/39/662354539.db2.gz YKEAGHYJPYNDDQ-ZOBUZTSGSA-N 1 0 320.477 3.321 20 10 DGCDRO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000093455411 662355472 /nfs/dbraw/zinc/35/54/72/662355472.db2.gz HSKCCAFIBSZVMA-MRXNPFEDSA-N 1 0 303.789 3.137 20 10 DGCDRO CN(CCC[NH2+][C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000381774188 685159540 /nfs/dbraw/zinc/15/95/40/685159540.db2.gz UVQDKOLNMMMCPP-CQSZACIVSA-N 1 0 320.433 3.226 20 10 DGCDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1ccccc1O ZINC000387691115 685185101 /nfs/dbraw/zinc/18/51/01/685185101.db2.gz VFJGMFUHHPDQMK-CYBMUJFWSA-N 1 0 308.422 3.127 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@H]1CCCOC1 ZINC000389098033 685192679 /nfs/dbraw/zinc/19/26/79/685192679.db2.gz RCHFZDYDJLMFBQ-QWRGUYRKSA-N 1 0 314.223 3.059 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Br)ccc1O ZINC000393969224 685219994 /nfs/dbraw/zinc/21/99/94/685219994.db2.gz WXLHKLHKNSCJGP-CABZTGNLSA-N 1 0 316.239 3.355 20 10 DGCDRO Cc1cnn(C)c1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000394081007 685220883 /nfs/dbraw/zinc/22/08/83/685220883.db2.gz PYAHEZBHVFAOHD-UHFFFAOYSA-N 1 0 308.429 3.426 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC12CCCCC2 ZINC000395689961 685226424 /nfs/dbraw/zinc/22/64/24/685226424.db2.gz ZQFQVJBPFQPGFL-GOSISDBHSA-N 1 0 300.446 3.336 20 10 DGCDRO Cc1cc(C)c(C[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000397032879 685228618 /nfs/dbraw/zinc/22/86/18/685228618.db2.gz YMGOFAXOABJGCW-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CS1 ZINC000397924538 685233080 /nfs/dbraw/zinc/23/30/80/685233080.db2.gz JIRFADWGGOSVKI-KCJUWKMLSA-N 1 0 302.237 3.138 20 10 DGCDRO CN(C)c1cc(F)c(CNc2cccc3c2CC[NH2+]C3)cc1F ZINC001578422882 1191943183 /nfs/dbraw/zinc/94/31/83/1191943183.db2.gz KUMBGMNVAKUCJE-UHFFFAOYSA-N 1 0 317.383 3.289 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCCc2ccc(OC)cc21 ZINC001578715789 1191952918 /nfs/dbraw/zinc/95/29/18/1191952918.db2.gz HFBWMMWWTHBICM-UHFFFAOYSA-N 1 0 324.424 3.050 20 10 DGCDRO C[C@@H]1CCCN1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001620821760 1192174145 /nfs/dbraw/zinc/17/41/45/1192174145.db2.gz IPQAURPXMJDOFI-QGZVFWFLSA-N 1 0 301.478 3.251 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cnn3ccccc23)cc1 ZINC001620932525 1192628801 /nfs/dbraw/zinc/62/88/01/1192628801.db2.gz MYMISCWIQRJVRJ-WAYWQWQTSA-N 1 0 306.413 3.203 20 10 DGCDRO CC1CCC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC001620964325 1192678727 /nfs/dbraw/zinc/67/87/27/1192678727.db2.gz LKTQZJITEKGNGB-UHFFFAOYSA-N 1 0 324.415 3.470 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001331056753 1178125704 /nfs/dbraw/zinc/12/57/04/1178125704.db2.gz ADQPAAQMBWRKAZ-HKUYNNGSSA-N 1 0 314.404 3.375 20 10 DGCDRO Cc1cc(CNC(=O)C[NH2+]C(C)(C)C)c(C)n1-c1ccccc1 ZINC001331820889 1178286390 /nfs/dbraw/zinc/28/63/90/1178286390.db2.gz JWNXZUHKWAVIEK-UHFFFAOYSA-N 1 0 313.445 3.098 20 10 DGCDRO Nc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCCC3)cc1)CCO2 ZINC001332010881 1178336411 /nfs/dbraw/zinc/33/64/11/1178336411.db2.gz DYVQLACVZMOFLP-UHFFFAOYSA-N 1 0 323.440 3.264 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)c(O)c1OC ZINC001334167680 1178730266 /nfs/dbraw/zinc/73/02/66/1178730266.db2.gz GSXJFAGIBQFAQM-JTQLQIEISA-N 1 0 308.403 3.025 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCSC3(CCC3)C2)c(O)c1OC ZINC001334317871 1178748331 /nfs/dbraw/zinc/74/83/31/1178748331.db2.gz JNOSEAMWPYVICJ-ZDUSSCGKSA-N 1 0 323.458 3.317 20 10 DGCDRO Nc1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1 ZINC001334753338 1178790795 /nfs/dbraw/zinc/79/07/95/1178790795.db2.gz CWHVPVIXIAYWMA-KRWDZBQOSA-N 1 0 301.821 3.069 20 10 DGCDRO Nc1ccc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC001334774178 1178795103 /nfs/dbraw/zinc/79/51/03/1178795103.db2.gz FVKOYOPDDUGUDW-LJQANCHMSA-N 1 0 314.404 3.354 20 10 DGCDRO CO[C@H](C[NH2+]Cc1c(O)cccc1Br)C(C)(C)C ZINC001334888630 1178823136 /nfs/dbraw/zinc/82/31/36/1178823136.db2.gz CMPWMVOUKXTGLP-CYBMUJFWSA-N 1 0 316.239 3.305 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCCC(F)(F)F)cc1 ZINC001335501125 1178922009 /nfs/dbraw/zinc/92/20/09/1178922009.db2.gz XPLSJROWNWQLEH-UHFFFAOYSA-N 1 0 304.356 3.406 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001341806929 1179064900 /nfs/dbraw/zinc/06/49/00/1179064900.db2.gz XXCWAFCWIIKCKF-QGZVFWFLSA-N 1 0 319.493 3.253 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCC[C@@H]1O ZINC001341944717 1179083341 /nfs/dbraw/zinc/08/33/41/1179083341.db2.gz KPYFMDXQPHOADB-MJGOQNOKSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(N(C)C)nc1 ZINC001342388632 1179136793 /nfs/dbraw/zinc/13/67/93/1179136793.db2.gz AVLONFOVPBQYDZ-ZFWWWQNUSA-N 1 0 311.429 3.500 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCOC1CCOCC1 ZINC001342407969 1179139036 /nfs/dbraw/zinc/13/90/36/1179139036.db2.gz KVBGZHYUFAHFFO-HOCLYGCPSA-N 1 0 319.445 3.424 20 10 DGCDRO C[C@H](NC(=O)[C@@H]1CCCCC12CC[NH2+]CC2)c1ccccc1O ZINC001344461437 1179436797 /nfs/dbraw/zinc/43/67/97/1179436797.db2.gz JFAKYAXYKGJFBR-HOCLYGCPSA-N 1 0 316.445 3.129 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCC[C@@H]3CCOC3)CC2)cc1 ZINC001345764474 1179603326 /nfs/dbraw/zinc/60/33/26/1179603326.db2.gz UWIHHYDAYVSUKN-QGZVFWFLSA-N 1 0 318.461 3.024 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C2(CCC2)CO1 ZINC001346165582 1179664824 /nfs/dbraw/zinc/66/48/24/1179664824.db2.gz KCVZTWGYUXEGHW-MRXNPFEDSA-N 1 0 300.446 3.430 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)Cc1ccccc1 ZINC001347709745 1179816716 /nfs/dbraw/zinc/81/67/16/1179816716.db2.gz QDXAACOJERZVKE-NRFANRHFSA-N 1 0 324.468 3.322 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001349625454 1179923474 /nfs/dbraw/zinc/92/34/74/1179923474.db2.gz NPWWMYZJIHOVSU-YTQUADARSA-N 1 0 300.446 3.334 20 10 DGCDRO CO[C@]1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CCSC1 ZINC001350636499 1180098769 /nfs/dbraw/zinc/09/87/69/1180098769.db2.gz PPBBRLGHFGBJLF-DCGLDWPTSA-N 1 0 307.459 3.361 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1F ZINC001351328572 1180200997 /nfs/dbraw/zinc/20/09/97/1180200997.db2.gz GBHAKFOLVFKIGP-ROUUACIJSA-N 1 0 324.415 3.326 20 10 DGCDRO COc1ccc(CNc2ccc(C[NH+](C)C)cc2)c(O)c1OC ZINC001351963241 1180267605 /nfs/dbraw/zinc/26/76/05/1180267605.db2.gz QLWREHDALYXCIT-UHFFFAOYSA-N 1 0 316.401 3.083 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC001353197878 1180491746 /nfs/dbraw/zinc/49/17/46/1180491746.db2.gz ATUPIIKJMKDRID-AWEZNQCLSA-N 1 0 303.324 3.162 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CC(CC3CCOCC3)C2)c1 ZINC001353604991 1180603751 /nfs/dbraw/zinc/60/37/51/1180603751.db2.gz GWKDOXWFTGXERI-UHFFFAOYSA-N 1 0 305.418 3.039 20 10 DGCDRO CC(C)C[NH+]1CCC(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC001300396317 1180639478 /nfs/dbraw/zinc/63/94/78/1180639478.db2.gz NZFKZAJHMZHZIA-UHFFFAOYSA-N 1 0 324.852 3.030 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC001474596800 1181593909 /nfs/dbraw/zinc/59/39/09/1181593909.db2.gz BKNSWJLEPNJMRY-KGLIPLIRSA-N 1 0 322.449 3.482 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC001459836177 1182620551 /nfs/dbraw/zinc/62/05/51/1182620551.db2.gz MOKXPWOGKNMPCD-GOSISDBHSA-N 1 0 302.393 3.369 20 10 DGCDRO COC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC001460375875 1182683056 /nfs/dbraw/zinc/68/30/56/1182683056.db2.gz VEGJYPAIQUHUST-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001461101587 1182767516 /nfs/dbraw/zinc/76/75/16/1182767516.db2.gz RUKSLCUWIQINKQ-LSDHHAIUSA-N 1 0 307.457 3.102 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2nccs2)ccc1OC ZINC001461128056 1182771949 /nfs/dbraw/zinc/77/19/49/1182771949.db2.gz QWEXNEQOBFHOCO-UHFFFAOYSA-N 1 0 306.431 3.021 20 10 DGCDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461368396 1182801670 /nfs/dbraw/zinc/80/16/70/1182801670.db2.gz RMUDSZWWTRKDQW-OAHLLOKOSA-N 1 0 307.457 3.102 20 10 DGCDRO CCOC(CC[NH2+]Cc1c(C)c2ccccc2n1C)OCC ZINC001461440311 1182813858 /nfs/dbraw/zinc/81/38/58/1182813858.db2.gz CVCMVZJSNNHHCE-UHFFFAOYSA-N 1 0 304.434 3.366 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC001461779817 1182853301 /nfs/dbraw/zinc/85/33/01/1182853301.db2.gz WZEQPVMHFJOPIJ-CQSZACIVSA-N 1 0 305.418 3.079 20 10 DGCDRO CN(CC[NH+](C)C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001462206438 1182924106 /nfs/dbraw/zinc/92/41/06/1182924106.db2.gz KHGPRXPSOGONJO-UHFFFAOYSA-N 1 0 323.484 3.243 20 10 DGCDRO C[C@@]12CSC[C@@H]1C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C2 ZINC001462638902 1182978651 /nfs/dbraw/zinc/97/86/51/1182978651.db2.gz QNSCUDLOZDSMJX-IINYFYTJSA-N 1 0 301.814 3.370 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)c(O)c1 ZINC001462670070 1182983203 /nfs/dbraw/zinc/98/32/03/1182983203.db2.gz VGOQFCLRSPZJTI-KRWDZBQOSA-N 1 0 307.434 3.346 20 10 DGCDRO COC[C@@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(C)C ZINC001473262354 1183737098 /nfs/dbraw/zinc/73/70/98/1183737098.db2.gz WSWTUWVQTAUJFO-QZTJIDSGSA-N 1 0 321.461 3.292 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1N(C)C ZINC001473737491 1183795252 /nfs/dbraw/zinc/79/52/52/1183795252.db2.gz KRYFRZGGVIJHGU-NEWSRXKRSA-N 1 0 302.462 3.186 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCCc2c[nH]nc2C)cc1F ZINC001473926050 1183830316 /nfs/dbraw/zinc/83/03/16/1183830316.db2.gz MTRVZQKYBZRJQU-UHFFFAOYSA-N 1 0 318.440 3.426 20 10 DGCDRO Fc1ccc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001473930019 1183831135 /nfs/dbraw/zinc/83/11/35/1183831135.db2.gz XNBHTGBRSBZATL-UHFFFAOYSA-N 1 0 301.361 3.319 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCOc2ccc(F)cc2)cc1F ZINC001473930007 1183831329 /nfs/dbraw/zinc/83/13/29/1183831329.db2.gz XAKTYJYGRXMGSP-UHFFFAOYSA-N 1 0 324.346 3.339 20 10 DGCDRO CC(C)c1noc(CC[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001473980353 1183842650 /nfs/dbraw/zinc/84/26/50/1183842650.db2.gz IFKAMWGXOOSMGZ-UHFFFAOYSA-N 1 0 314.433 3.126 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCc2cscn2)cc1F ZINC001474051255 1183858108 /nfs/dbraw/zinc/85/81/08/1183858108.db2.gz SVTBQYDUBXSZSZ-UHFFFAOYSA-N 1 0 307.438 3.461 20 10 DGCDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001474070106 1183861156 /nfs/dbraw/zinc/86/11/56/1183861156.db2.gz DZTYSYZKRMHOEH-WMZOPIPTSA-N 1 0 319.468 3.246 20 10 DGCDRO CO[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)CC(C)C ZINC001474185695 1183878922 /nfs/dbraw/zinc/87/89/22/1183878922.db2.gz XPGPZWAIZMCUGO-ZDUSSCGKSA-N 1 0 300.393 3.182 20 10 DGCDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1cccnc1)c1ccccc1O ZINC001474253128 1183890700 /nfs/dbraw/zinc/89/07/00/1183890700.db2.gz KQKPLHRDMJYKBC-ZDUSSCGKSA-N 1 0 308.385 3.039 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)[C@@H](CCO)c2ccccc2)c(O)c1 ZINC001474326051 1183905122 /nfs/dbraw/zinc/90/51/22/1183905122.db2.gz SZKCYMCESWTWPZ-SFHVURJKSA-N 1 0 315.413 3.265 20 10 DGCDRO CCCN(CC[NH+](CC)CC)Cc1c(C)cc(OC)cc1O ZINC001474425053 1183919910 /nfs/dbraw/zinc/91/99/10/1183919910.db2.gz XAXUQBJEMLBWQY-UHFFFAOYSA-N 1 0 308.466 3.263 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001474467416 1183926814 /nfs/dbraw/zinc/92/68/14/1183926814.db2.gz XTRLUXUDUUNZMC-YEODSOHDSA-N 1 0 316.445 3.183 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001474467413 1183926897 /nfs/dbraw/zinc/92/68/97/1183926897.db2.gz XTRLUXUDUUNZMC-FZMUQLTDSA-N 1 0 316.445 3.183 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474521973 1183935010 /nfs/dbraw/zinc/93/50/10/1183935010.db2.gz WZJZRTDQIBLAAQ-SJORKVTESA-N 1 0 317.429 3.223 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(O)c1 ZINC001474631086 1183952339 /nfs/dbraw/zinc/95/23/39/1183952339.db2.gz WTJPEHKDOUNBID-KXBFYZLASA-N 1 0 319.445 3.490 20 10 DGCDRO COc1ccc(C[NH2+]C2(CNC(=O)CC(C)(C)C)CC2)cc1C ZINC001499161275 1185621765 /nfs/dbraw/zinc/62/17/65/1185621765.db2.gz MQTXGHYMIZLWIH-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001545505090 1188432332 /nfs/dbraw/zinc/43/23/32/1188432332.db2.gz TZLPSBKNJDLCMT-NVXWUHKLSA-N 1 0 318.461 3.251 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCCC(C)(F)F)cc1 ZINC001559966480 1189263256 /nfs/dbraw/zinc/26/32/56/1189263256.db2.gz BHEDPEKQVQUOBJ-UHFFFAOYSA-N 1 0 300.393 3.499 20 10 DGCDRO CC[C@@H]1C[C@@H](C[NH2+]CCCSc2nccs2)CCO1 ZINC001560348134 1189314822 /nfs/dbraw/zinc/31/48/22/1189314822.db2.gz MRVXYWZJCCXJGE-QWHCGFSZSA-N 1 0 300.493 3.420 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC(C)(C)C(=O)NCC)cc1C ZINC001560406630 1189324801 /nfs/dbraw/zinc/32/48/01/1189324801.db2.gz MUFFSUSKLITWTJ-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO CCOCc1cc(C[NH2+]CC[C@H]2CCCCO2)ccc1OC ZINC001560413024 1189325316 /nfs/dbraw/zinc/32/53/16/1189325316.db2.gz SRAPOKOHNIHXFJ-QGZVFWFLSA-N 1 0 307.434 3.281 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1 ZINC001560484914 1189333305 /nfs/dbraw/zinc/33/33/05/1189333305.db2.gz XJWGOPKRTPJQOS-XZXOBPBMSA-N 1 0 302.462 3.297 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)cc1F ZINC001560555156 1189340197 /nfs/dbraw/zinc/34/01/97/1189340197.db2.gz COMKVUCMHBICQG-YGRLFVJLSA-N 1 0 322.346 3.073 20 10 DGCDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001560564569 1189342434 /nfs/dbraw/zinc/34/24/34/1189342434.db2.gz DLTNOBJJZJQAFV-WCQYABFASA-N 1 0 318.383 3.411 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc2nonc2c1 ZINC001560612305 1189347892 /nfs/dbraw/zinc/34/78/92/1189347892.db2.gz HACFKBHSTCAJLF-UHFFFAOYSA-N 1 0 306.369 3.313 20 10 DGCDRO CC[C@H](C)[C@H](C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001560648967 1189355375 /nfs/dbraw/zinc/35/53/75/1189355375.db2.gz ZIXROKODJZAUCN-LPHOPBHVSA-N 1 0 320.477 3.268 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c(O)c1 ZINC001560697041 1189362389 /nfs/dbraw/zinc/36/23/89/1189362389.db2.gz KWQGQTBLLKKOPK-CQSZACIVSA-N 1 0 315.413 3.478 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(F)c1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560749250 1189374606 /nfs/dbraw/zinc/37/46/06/1189374606.db2.gz DHFXHZRXYPNANJ-ZFWWWQNUSA-N 1 0 306.425 3.274 20 10 DGCDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001560769221 1189378302 /nfs/dbraw/zinc/37/83/02/1189378302.db2.gz VAZYGTXWTJNJNL-LJQANCHMSA-N 1 0 321.461 3.435 20 10 DGCDRO CC(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001561029553 1189423681 /nfs/dbraw/zinc/42/36/81/1189423681.db2.gz QOYKDKRZZVSWAX-UHFFFAOYSA-N 1 0 324.852 3.030 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)N(C)C)cc1 ZINC001561040194 1189424239 /nfs/dbraw/zinc/42/42/39/1189424239.db2.gz LXWINVNWEQESMZ-GDAAHCPNSA-N 1 0 301.478 3.134 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC(C)(C)C)cc1C ZINC001568159839 1190438919 /nfs/dbraw/zinc/43/89/19/1190438919.db2.gz AFLYXHZBTMXHET-AWEZNQCLSA-N 1 0 320.477 3.282 20 10 DGCDRO CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001568679227 1190577562 /nfs/dbraw/zinc/57/75/62/1190577562.db2.gz IUBWVUFBIXKUMG-USXIJHARSA-N 1 0 318.461 3.034 20 10 DGCDRO CC/C(C)=C\C(=O)N(C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001569199453 1190652471 /nfs/dbraw/zinc/65/24/71/1190652471.db2.gz LDZMRRJEBVGZOZ-QINSGFPZSA-N 1 0 318.461 3.298 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC(C)C)cc1C ZINC001570586914 1190893172 /nfs/dbraw/zinc/89/31/72/1190893172.db2.gz FCUHNRGFTHIUHV-JKSUJKDBSA-N 1 0 320.477 3.423 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2CCCC2)cc1C ZINC001571375527 1191006363 /nfs/dbraw/zinc/00/63/63/1191006363.db2.gz XSSOHLPYSQNEAY-HNNXBMFYSA-N 1 0 318.461 3.130 20 10 DGCDRO CCc1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001621097687 1193801280 /nfs/dbraw/zinc/80/12/80/1193801280.db2.gz LXFPYZCOSNDCTP-LJQANCHMSA-N 1 0 315.461 3.301 20 10 DGCDRO CC(=O)NC1CCC([N@@H+](C)Cc2cc(C(C)C)ccc2O)CC1 ZINC001621245189 1193821659 /nfs/dbraw/zinc/82/16/59/1193821659.db2.gz IONRXMXBNGSJAH-UHFFFAOYSA-N 1 0 318.461 3.395 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CC=C(C(=O)OC)C2)cc1C ZINC001621438347 1193842823 /nfs/dbraw/zinc/84/28/23/1193842823.db2.gz MQOSXTZRMBQQKT-INIZCTEOSA-N 1 0 303.402 3.135 20 10 DGCDRO CC(C)[NH+]1CCC(CC[NH2+]Cc2cc(F)c(F)cc2[O-])CC1 ZINC001621462912 1193846188 /nfs/dbraw/zinc/84/61/88/1193846188.db2.gz IRHSNUURZGXJTD-UHFFFAOYSA-N 1 0 312.404 3.271 20 10 DGCDRO CC(=O)OC[C@H](C)[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC001621475570 1193846812 /nfs/dbraw/zinc/84/68/12/1193846812.db2.gz JRSRGHWAYIPJNV-ZDUSSCGKSA-N 1 0 300.402 3.135 20 10 DGCDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(F)ccc3O)C2)cc1 ZINC001621490377 1193849383 /nfs/dbraw/zinc/84/93/83/1193849383.db2.gz ZIOGWIPGMUDCNL-SFHVURJKSA-N 1 0 314.404 3.204 20 10 DGCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001644345432 1195101772 /nfs/dbraw/zinc/10/17/72/1195101772.db2.gz BEKJIOXJVWMOSY-INIZCTEOSA-N 1 0 318.461 3.226 20 10 DGCDRO Cc1csc(CC[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC000062103930 1195227897 /nfs/dbraw/zinc/22/78/97/1195227897.db2.gz AAWMAZCWYTZUDY-UHFFFAOYSA-N 1 0 301.459 3.384 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1O ZINC001648054204 1195274323 /nfs/dbraw/zinc/27/43/23/1195274323.db2.gz QBONXJHFBSPYMK-NEPJUHHUSA-N 1 0 309.369 3.453 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC001648745171 1195327835 /nfs/dbraw/zinc/32/78/35/1195327835.db2.gz PZOHDNWBNPPPLE-OOFWQKGWSA-N 1 0 324.424 3.195 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)c2ccco2)cc1C ZINC001650627456 1195366976 /nfs/dbraw/zinc/36/69/76/1195366976.db2.gz NADWFGVKFLOLHD-SFHVURJKSA-N 1 0 303.402 3.374 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(F)c(F)c3)cc2)CC1 ZINC001650877817 1195390668 /nfs/dbraw/zinc/39/06/68/1195390668.db2.gz XMYUXMVWHIBWCW-UHFFFAOYSA-N 1 0 317.383 3.329 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1C ZINC001651070845 1195409282 /nfs/dbraw/zinc/40/92/82/1195409282.db2.gz HASJZFZIXIRTJB-AEFFLSMTSA-N 1 0 323.477 3.031 20 10 DGCDRO COC(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1C)CC(C)C ZINC001651979165 1195531536 /nfs/dbraw/zinc/53/15/36/1195531536.db2.gz BPQQBPHNHOJNNE-UHFFFAOYSA-N 1 0 306.450 3.082 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(Cc3ccsc3)CC2)c(O)c1 ZINC001652035788 1195538753 /nfs/dbraw/zinc/53/87/53/1195538753.db2.gz VHFQOAPBRPFYSS-UHFFFAOYSA-N 1 0 302.443 3.080 20 10 DGCDRO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001652159120 1195555204 /nfs/dbraw/zinc/55/52/04/1195555204.db2.gz UYTMAIJMQDEZKT-MRXNPFEDSA-N 1 0 305.418 3.433 20 10 DGCDRO CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001652391724 1195590647 /nfs/dbraw/zinc/59/06/47/1195590647.db2.gz SCWBMADCGANWLC-UHFFFAOYSA-N 1 0 322.493 3.472 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)[C@H](CO)CC(C)(C)C)cc1F ZINC001652474877 1195604213 /nfs/dbraw/zinc/60/42/13/1195604213.db2.gz PSUIIZROBCXTTF-ZDUSSCGKSA-N 1 0 314.420 3.260 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001652631413 1195628543 /nfs/dbraw/zinc/62/85/43/1195628543.db2.gz JDGBNFCYXBSOIZ-MNOVXSKESA-N 1 0 303.736 3.141 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CC2(SC)CCC2)cc1 ZINC001652770782 1195649350 /nfs/dbraw/zinc/64/93/50/1195649350.db2.gz QRPVXAIVPCPMAD-UHFFFAOYSA-N 1 0 308.491 3.349 20 10 DGCDRO COc1cccc(OC)c1C[NH2+]Cc1ccc(Cl)cc1O ZINC001652794046 1195653399 /nfs/dbraw/zinc/65/33/99/1195653399.db2.gz KIZWRSOYZVVDTM-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO COc1cc(C)c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(O)c1 ZINC001652885318 1195666425 /nfs/dbraw/zinc/66/64/25/1195666425.db2.gz JUCKDPSLIMNHHJ-KDURUIRLSA-N 1 0 317.429 3.102 20 10 DGCDRO C[C@H]([NH2+]Cc1sc(N(C)C)nc1Cl)c1ccccc1O ZINC001652969126 1195675721 /nfs/dbraw/zinc/67/57/21/1195675721.db2.gz SQWXYDGYKDTUJQ-VIFPVBQESA-N 1 0 311.838 3.419 20 10 DGCDRO CCOC(=O)CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)CC1CC1 ZINC001653258125 1195705266 /nfs/dbraw/zinc/70/52/66/1195705266.db2.gz SMSQRSSLIJNPDP-UHFFFAOYSA-N 1 0 318.461 3.226 20 10 DGCDRO Cc1cc(C[N@H+]2CCC[C@]2(CO)CC(C)C)ccc1N(C)C ZINC001653490097 1195727539 /nfs/dbraw/zinc/72/75/39/1195727539.db2.gz CNSRHURIIOAPJJ-LJQANCHMSA-N 1 0 304.478 3.434 20 10 DGCDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(F)c1 ZINC001654532167 1195813756 /nfs/dbraw/zinc/81/37/56/1195813756.db2.gz JKRSXYZGTYPMFZ-NSHDSACASA-N 1 0 303.333 3.169 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCN(C)Cc2ccccc2)cc1F ZINC001655413452 1195913531 /nfs/dbraw/zinc/91/35/31/1195913531.db2.gz MRXUMYMURQLRBS-UHFFFAOYSA-N 1 0 315.436 3.113 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cccc4c3OCC4)ccc21 ZINC001655446511 1195918283 /nfs/dbraw/zinc/91/82/83/1195918283.db2.gz XKWLZZXJCIXNRV-UHFFFAOYSA-N 1 0 308.425 3.294 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H](C)Cn2ccnc2)cc1C ZINC001655526199 1195927733 /nfs/dbraw/zinc/92/77/33/1195927733.db2.gz DZFOUCLEYSYDPG-HNNXBMFYSA-N 1 0 301.434 3.406 20 10 DGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001655549429 1195929676 /nfs/dbraw/zinc/92/96/76/1195929676.db2.gz VWTKUJJGRSMJBO-ZDUSSCGKSA-N 1 0 305.418 3.222 20 10 DGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1(C)C ZINC001655985593 1195985090 /nfs/dbraw/zinc/98/50/90/1195985090.db2.gz PQFNBKUMNLDSAV-HYHGDPLJSA-N 1 0 302.462 3.415 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3SCCS[C@H]13)CCCO2 ZINC001656037624 1195989990 /nfs/dbraw/zinc/98/99/90/1195989990.db2.gz DDYXEYGJWMEMMQ-HYVNUMGLSA-N 1 0 321.511 3.481 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2CCCCCC2)cc1 ZINC001656036172 1195990515 /nfs/dbraw/zinc/99/05/15/1195990515.db2.gz VFUUHOWDSJWQPO-FPLPWBNLSA-N 1 0 301.478 3.231 20 10 DGCDRO CO[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C12CCC2 ZINC001656405423 1196036739 /nfs/dbraw/zinc/03/67/39/1196036739.db2.gz OTLUXDUUNPFATO-UKZKYTFVSA-N 1 0 300.446 3.313 20 10 DGCDRO CCOCCOC1CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC001656988385 1196090187 /nfs/dbraw/zinc/09/01/87/1196090187.db2.gz BIXKUHQIVGLTHY-UHFFFAOYSA-N 1 0 320.477 3.160 20 10 DGCDRO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001657196476 1196117939 /nfs/dbraw/zinc/11/79/39/1196117939.db2.gz BLEANDYFHRYNOM-IBGZPJMESA-N 1 0 301.478 3.251 20 10 DGCDRO COC(=O)C1([N@H+](C)Cc2ccc(Cl)cc2O)CCCCC1 ZINC001657208756 1196118579 /nfs/dbraw/zinc/11/85/79/1196118579.db2.gz HATJDDSBKZCKBC-UHFFFAOYSA-N 1 0 311.809 3.353 20 10 DGCDRO CCc1ccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC001657219227 1196119740 /nfs/dbraw/zinc/11/97/40/1196119740.db2.gz OYFMHXHZGHONJI-UHFFFAOYSA-N 1 0 314.404 3.416 20 10 DGCDRO Cc1noc(-c2ccc(C[NH2+]Cc3ccc(C)cc3O)cc2)n1 ZINC001657674744 1196168503 /nfs/dbraw/zinc/16/85/03/1196168503.db2.gz WTSLLWGFUYQVQC-UHFFFAOYSA-N 1 0 309.369 3.349 20 10 DGCDRO CN(CCCC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC001657689769 1196170257 /nfs/dbraw/zinc/17/02/57/1196170257.db2.gz MSHVKQRMNDSFMA-UHFFFAOYSA-N 1 0 304.356 3.406 20 10 DGCDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001657807455 1196180048 /nfs/dbraw/zinc/18/00/48/1196180048.db2.gz IFETUMCNPDDCRO-LJQANCHMSA-N 1 0 303.446 3.433 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC001657921109 1196193731 /nfs/dbraw/zinc/19/37/31/1196193731.db2.gz PDBDKSHZDRKEGH-HNAYVOBHSA-N 1 0 319.445 3.286 20 10 DGCDRO COc1ccc(F)cc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657997245 1196200390 /nfs/dbraw/zinc/20/03/90/1196200390.db2.gz VRORLTZSRNFKLY-UHFFFAOYSA-N 1 0 315.388 3.492 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[Si](C)(C)c2ccccc2)c1 ZINC001658023564 1196203041 /nfs/dbraw/zinc/20/30/41/1196203041.db2.gz LKZWNDJSFJUQIX-AWEZNQCLSA-N 1 0 315.489 3.206 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cccc3c2OCC3)cc1 ZINC001658052063 1196206851 /nfs/dbraw/zinc/20/68/51/1196206851.db2.gz ZLZWXUUSBMZEQX-SNAWJCMRSA-N 1 0 308.425 3.491 20 10 DGCDRO C[N@@H+]1CCN(Cc2cc(F)c(F)cc2O)c2ccccc2C1 ZINC001658173424 1196220862 /nfs/dbraw/zinc/22/08/62/1196220862.db2.gz GTCIMAPEULOTTB-UHFFFAOYSA-N 1 0 304.340 3.122 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC001658540974 1196271595 /nfs/dbraw/zinc/27/15/95/1196271595.db2.gz SOPCZMGZLXUMRI-QGZVFWFLSA-N 1 0 316.445 3.102 20 10 DGCDRO CCOC(=O)[C@]12CCC[C@H]1C[C@H]([NH2+]Cc1cc(C)ccc1O)C2 ZINC001658588339 1196276930 /nfs/dbraw/zinc/27/69/30/1196276930.db2.gz ZHIHIVOVHGZGND-BXWFABGCSA-N 1 0 317.429 3.302 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCc3cnn(C(C)C)c32)c1 ZINC001658742588 1196294596 /nfs/dbraw/zinc/29/45/96/1196294596.db2.gz GRQWKURNJHJFRD-INIZCTEOSA-N 1 0 315.417 3.345 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCc3cnn(C(C)C)c32)c1 ZINC001658742589 1196295066 /nfs/dbraw/zinc/29/50/66/1196295066.db2.gz GRQWKURNJHJFRD-MRXNPFEDSA-N 1 0 315.417 3.345 20 10 DGCDRO Cc1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc(C)n1 ZINC001658764935 1196297951 /nfs/dbraw/zinc/29/79/51/1196297951.db2.gz UBFQXNVZMBJRGC-UHFFFAOYSA-N 1 0 313.445 3.275 20 10 DGCDRO C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC001658777794 1196299577 /nfs/dbraw/zinc/29/95/77/1196299577.db2.gz IZBMUWBGERSACK-BHYNMZESSA-N 1 0 315.244 3.129 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1 ZINC001658960201 1196324523 /nfs/dbraw/zinc/32/45/23/1196324523.db2.gz QXCPSIMVQKVHKU-KRWDZBQOSA-N 1 0 319.445 3.022 20 10 DGCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001658968266 1196326333 /nfs/dbraw/zinc/32/63/33/1196326333.db2.gz QXRAGIWDAAUXAR-CYBMUJFWSA-N 1 0 311.809 3.272 20 10 DGCDRO COC(=O)C(C)(C)CC[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001659141634 1196350741 /nfs/dbraw/zinc/35/07/41/1196350741.db2.gz IPFJBAVEBQAXRR-UHFFFAOYSA-N 1 0 318.461 3.308 20 10 DGCDRO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(C(C)C)ccc3O)C2)[nH]1 ZINC001659408002 1196380571 /nfs/dbraw/zinc/38/05/71/1196380571.db2.gz YGCGDBCSPOCQPU-OAHLLOKOSA-N 1 0 314.433 3.322 20 10 DGCDRO CC[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC001659527658 1196391853 /nfs/dbraw/zinc/39/18/53/1196391853.db2.gz JEQLKSARMBRHDJ-WBVHZDCISA-N 1 0 302.462 3.268 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1 ZINC001659664556 1196404650 /nfs/dbraw/zinc/40/46/50/1196404650.db2.gz JIDBUROOJNZRDW-HNNXBMFYSA-N 1 0 312.404 3.335 20 10 DGCDRO COc1ccccc1-n1nccc1C[NH2+]Cc1cc(C)ccc1O ZINC001659690160 1196406556 /nfs/dbraw/zinc/40/65/56/1196406556.db2.gz OKGLZZBJJDRGQZ-UHFFFAOYSA-N 1 0 323.396 3.185 20 10 DGCDRO C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001659695437 1196406574 /nfs/dbraw/zinc/40/65/74/1196406574.db2.gz KPLXLXQTVRYELO-UHFFFAOYSA-N 1 0 320.383 3.364 20 10 DGCDRO CCC[N@H+](CCN1CCCCC1)Cc1cc(C)cc(OC)c1O ZINC001659759774 1196412274 /nfs/dbraw/zinc/41/22/74/1196412274.db2.gz OQOPHZKDNBPAQE-UHFFFAOYSA-N 1 0 320.477 3.407 20 10 DGCDRO CC[N@@H+]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)[C@H](C)C1 ZINC001659766204 1196413208 /nfs/dbraw/zinc/41/32/08/1196413208.db2.gz PMISHDASNQHBDK-CQSZACIVSA-N 1 0 320.477 3.224 20 10 DGCDRO COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC001659815666 1196417611 /nfs/dbraw/zinc/41/76/11/1196417611.db2.gz PZAFOABXKSMLHU-NSHDSACASA-N 1 0 303.333 3.169 20 10 DGCDRO COc1ccc(N2CC[NH+](CCC3CCC3)CC2)c(OC)c1 ZINC001659861071 1196423031 /nfs/dbraw/zinc/42/30/31/1196423031.db2.gz JZVFPGGLFATMBZ-UHFFFAOYSA-N 1 0 304.434 3.016 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c1 ZINC001660004488 1196437143 /nfs/dbraw/zinc/43/71/43/1196437143.db2.gz WRZZQMZZMCQQKT-DLBZAZTESA-N 1 0 320.502 3.185 20 10 DGCDRO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001660443628 1196484776 /nfs/dbraw/zinc/48/47/76/1196484776.db2.gz WBKBDPDCMRCHMB-KRWDZBQOSA-N 1 0 304.434 3.006 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c(O)c1 ZINC001660648544 1196508039 /nfs/dbraw/zinc/50/80/39/1196508039.db2.gz HREKYUBKUFQQBY-AWEZNQCLSA-N 1 0 303.324 3.484 20 10 DGCDRO CC(C)(C)OC(=O)C1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC001660908111 1196540806 /nfs/dbraw/zinc/54/08/06/1196540806.db2.gz KXLOBESZCKBFNU-UHFFFAOYSA-N 1 0 313.397 3.319 20 10 DGCDRO FC(F)CN1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001661194833 1196578911 /nfs/dbraw/zinc/57/89/11/1196578911.db2.gz BIYMSAAZNKNYHG-UHFFFAOYSA-N 1 0 323.431 3.106 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1CCCCN1C1CC1)CCCO2 ZINC001662391086 1196715956 /nfs/dbraw/zinc/71/59/56/1196715956.db2.gz GMHJQXNXCCLZLL-SFHVURJKSA-N 1 0 300.446 3.118 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1F ZINC001662469872 1196723620 /nfs/dbraw/zinc/72/36/20/1196723620.db2.gz PRKICCDOWISHNP-MAUKXSAKSA-N 1 0 308.441 3.313 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CC(=O)N(CC)C2)cc1 ZINC001662503058 1196726013 /nfs/dbraw/zinc/72/60/13/1196726013.db2.gz RCMPXVNLHCFHIT-KRWDZBQOSA-N 1 0 317.477 3.023 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCC23OCCO3)cc1C ZINC001662967099 1196778101 /nfs/dbraw/zinc/77/81/01/1196778101.db2.gz YSUCTTUOBGUCQL-QGZVFWFLSA-N 1 0 305.418 3.169 20 10 DGCDRO Cc1ccccc1-n1cc(C[NH2+][C@H](C)c2ccccc2O)nn1 ZINC001663184404 1196808289 /nfs/dbraw/zinc/80/82/89/1196808289.db2.gz DIPXLTAGLMNNSL-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(O)cc(C)cc1Cl ZINC001663641725 1196919580 /nfs/dbraw/zinc/91/95/80/1196919580.db2.gz UYEFWWQGTYFFHV-KGLIPLIRSA-N 1 0 308.853 3.413 20 10 DGCDRO CN(C[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC001664200073 1196979208 /nfs/dbraw/zinc/97/92/08/1196979208.db2.gz VSIVVCVETRXSQR-IXDOHACOSA-N 1 0 302.462 3.499 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC001664509940 1197007844 /nfs/dbraw/zinc/00/78/44/1197007844.db2.gz UMCJRQNLKVDMBG-GOSISDBHSA-N 1 0 303.377 3.478 20 10 DGCDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](C)C(C)(C)C ZINC001665054329 1197091184 /nfs/dbraw/zinc/09/11/84/1197091184.db2.gz ULXIEBFAOPTSHA-AWEZNQCLSA-N 1 0 307.434 3.440 20 10 DGCDRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(Cl)cc1O ZINC001665345664 1197126278 /nfs/dbraw/zinc/12/62/78/1197126278.db2.gz PHRQUOHCZLULOS-UHFFFAOYSA-N 1 0 319.714 3.088 20 10 DGCDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cc(C(C)C)ccc3O)C[C@@H]21 ZINC001665657037 1197164960 /nfs/dbraw/zinc/16/49/60/1197164960.db2.gz TUOBPKZQXHALBX-SOLBZPMBSA-N 1 0 317.429 3.147 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CC[C@@]3(CO[C@H](C)C3)O2)c1 ZINC001665688075 1197171402 /nfs/dbraw/zinc/17/14/02/1197171402.db2.gz LSIGCHKRVLVHMJ-LSBZLQRGSA-N 1 0 319.445 3.332 20 10 DGCDRO CC/C=C(/C)C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001668731771 1197427476 /nfs/dbraw/zinc/42/74/76/1197427476.db2.gz LPKDKTAEECZWBW-RRLYPUMESA-N 1 0 316.445 3.122 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC2CCC2)cc1C ZINC001674647004 1197818787 /nfs/dbraw/zinc/81/87/87/1197818787.db2.gz MMLJLOIMLYGMNF-GJZGRUSLSA-N 1 0 318.461 3.177 20 10 DGCDRO CC[N@H+](CCOc1ccccc1OC)Cc1ccc(N)cc1 ZINC000315975563 1199811597 /nfs/dbraw/zinc/81/15/97/1199811597.db2.gz MRBFKXQXRZEYHR-UHFFFAOYSA-N 1 0 300.402 3.178 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCOC[C@@H]1CCCO1 ZINC000319812239 1199841629 /nfs/dbraw/zinc/84/16/29/1199841629.db2.gz KTSCSRVAAOAEKE-OWCLPIDISA-N 1 0 319.445 3.424 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+](C)C2CCOCC2)c1O ZINC000124556146 1200355346 /nfs/dbraw/zinc/35/53/46/1200355346.db2.gz FRRHPUCIKDHVAI-UHFFFAOYSA-N 1 0 314.223 3.074 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCC(C)C)cc1C ZINC001698814223 1201457659 /nfs/dbraw/zinc/45/76/59/1201457659.db2.gz OJZHDPXKEMPZGH-MRXNPFEDSA-N 1 0 320.477 3.376 20 10 DGCDRO CCC(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)CC(C)C ZINC001698865820 1201523133 /nfs/dbraw/zinc/52/31/33/1201523133.db2.gz OKKAFJQGDGVTOK-INIZCTEOSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)CC(C)(C)C)cc1C ZINC001699233123 1201766042 /nfs/dbraw/zinc/76/60/42/1201766042.db2.gz PDLLVWXGKIXIDL-SREVYHEPSA-N 1 0 318.461 3.202 20 10 DGCDRO CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699378975 1201824652 /nfs/dbraw/zinc/82/46/52/1201824652.db2.gz UUJWNEGHWISNPH-DJIMGWMZSA-N 1 0 318.461 3.034 20 10 DGCDRO C=C/C(C)=C\CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001752895250 1201999319 /nfs/dbraw/zinc/99/93/19/1201999319.db2.gz ZSEJMCAFWJFGSY-ACQAZONXSA-N 1 0 316.445 3.120 20 10 DGCDRO C/C=C(/C)C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700652451 1202329439 /nfs/dbraw/zinc/32/94/39/1202329439.db2.gz HINIWKDTDUAHMH-SZCQRLSZSA-N 1 0 318.461 3.344 20 10 DGCDRO CC/C=C(\C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700740042 1202346102 /nfs/dbraw/zinc/34/61/02/1202346102.db2.gz XQCPQTKJVUKWTI-FCONWMNKSA-N 1 0 318.461 3.296 20 10 DGCDRO CC/C=C(\C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700740043 1202346291 /nfs/dbraw/zinc/34/62/91/1202346291.db2.gz XQCPQTKJVUKWTI-SBNBMVPLSA-N 1 0 318.461 3.296 20 10 DGCDRO Nc1ccc2c(c1)CC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC000144069773 1202566204 /nfs/dbraw/zinc/56/62/04/1202566204.db2.gz FNQZESHTULINGA-UHFFFAOYSA-N 1 0 307.441 3.427 20 10 DGCDRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000226650971 1202589478 /nfs/dbraw/zinc/58/94/78/1202589478.db2.gz CPNYZUDXNIGWEV-HNNXBMFYSA-N 1 0 320.433 3.271 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)C(C)C)C2)cc1C ZINC001713960368 1202706868 /nfs/dbraw/zinc/70/68/68/1202706868.db2.gz CKXMZORVQFNUEE-XIRDDKMYSA-N 1 0 318.461 3.033 20 10 DGCDRO C/C=C(\C)C(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001715540078 1203367936 /nfs/dbraw/zinc/36/79/36/1203367936.db2.gz TXTCYDGLUOVDGD-VRXKTSEUSA-N 1 0 318.461 3.200 20 10 DGCDRO CC/C(C)=C/C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716291169 1203457623 /nfs/dbraw/zinc/45/76/23/1203457623.db2.gz LBIHXQIDHVPDQY-SIKOUFMJSA-N 1 0 316.445 3.122 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C=C2CCC2)cc1C ZINC001733970271 1205275062 /nfs/dbraw/zinc/27/50/62/1205275062.db2.gz OZYBCNGKVFXARS-CABCVRRESA-N 1 0 316.445 3.097 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC(C)(C)C2)cc1Br ZINC001233140011 1098236621 /nfs/dbraw/zinc/23/66/21/1098236621.db2.gz VTFXBKXZKALPPT-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO CCOC(=O)N1CCC[C@@H]([N@H+](CC)Cc2ccccc2O)CC1 ZINC001169706396 1081635122 /nfs/dbraw/zinc/63/51/22/1081635122.db2.gz LPEBDGNCPUMPKS-MRXNPFEDSA-N 1 0 320.433 3.225 20 10 DGCDRO C[N@@H+]1CCCC[C@H]1c1ccc(NCc2ccc(O)c(O)c2)nc1 ZINC001169993275 1081804909 /nfs/dbraw/zinc/80/49/09/1081804909.db2.gz QVZSRFPHNYPYDR-HNNXBMFYSA-N 1 0 313.401 3.262 20 10 DGCDRO CC1(C[NH2+]Cc2ccc(Br)cc2O)CCOCC1 ZINC000691477368 1081879171 /nfs/dbraw/zinc/87/91/71/1081879171.db2.gz SAHQZFKHBBKDJB-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO CCCCOCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691490375 1081923226 /nfs/dbraw/zinc/92/32/26/1081923226.db2.gz WTFAGEDOMWKVPI-UHFFFAOYSA-N 1 0 316.239 3.451 20 10 DGCDRO CCOCCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691488983 1081924265 /nfs/dbraw/zinc/92/42/65/1081924265.db2.gz POFAWWAKQNCXHH-UHFFFAOYSA-N 1 0 302.212 3.061 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cccc4ocnc43)cc2)CC1 ZINC001167434900 1082114212 /nfs/dbraw/zinc/11/42/12/1082114212.db2.gz YQEBXMVCUDDMRW-UHFFFAOYSA-N 1 0 322.412 3.192 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCSC1 ZINC000706871984 1082152439 /nfs/dbraw/zinc/15/24/39/1082152439.db2.gz ARUHUUWAQAEOAK-VIFPVBQESA-N 1 0 302.237 3.140 20 10 DGCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001648913701 1082319692 /nfs/dbraw/zinc/31/96/92/1082319692.db2.gz DXJNRWSOUCOLJI-HZPDHXFCSA-N 1 0 302.462 3.222 20 10 DGCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001648914654 1082420266 /nfs/dbraw/zinc/42/02/66/1082420266.db2.gz WZVXPLKZHCFKQL-HEAXLZMOSA-N 1 0 315.505 3.476 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)F)cc1C ZINC001133477757 1083135723 /nfs/dbraw/zinc/13/57/23/1083135723.db2.gz RHJGTOBPXINYIE-ZIAGYGMSSA-N 1 0 324.440 3.125 20 10 DGCDRO CN(C)c1ccc(CN2CC([NH+]3CCCCC3)C2)c(Cl)c1 ZINC001140924046 1083186640 /nfs/dbraw/zinc/18/66/40/1083186640.db2.gz BQNOHBWYBIENFJ-UHFFFAOYSA-N 1 0 307.869 3.076 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)C)cc1C ZINC001133764575 1083190932 /nfs/dbraw/zinc/19/09/32/1083190932.db2.gz JBYJKMMXPQVDFZ-HUUCEWRRSA-N 1 0 306.450 3.033 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(C)CC2)cc1C ZINC001134435839 1083291554 /nfs/dbraw/zinc/29/15/54/1083291554.db2.gz QFMRKIBDPLTZPO-HUUCEWRRSA-N 1 0 318.461 3.177 20 10 DGCDRO C[N@H+](CCc1cccc2c1OC(F)(F)O2)Cc1ccccc1O ZINC001167733678 1083311746 /nfs/dbraw/zinc/31/17/46/1083311746.db2.gz AZOQIKGZWZGYRU-UHFFFAOYSA-N 1 0 321.323 3.388 20 10 DGCDRO CN1CCOc2cc(C[NH+]3CCC4(CC(F)C4)CC3)ccc21 ZINC001141140824 1083356955 /nfs/dbraw/zinc/35/69/55/1083356955.db2.gz POTLSZKAZPQGJO-UHFFFAOYSA-N 1 0 304.409 3.229 20 10 DGCDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001182345040 1083695071 /nfs/dbraw/zinc/69/50/71/1083695071.db2.gz NOCKHJLFWFZECD-OAHLLOKOSA-N 1 0 322.836 3.023 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]CCSC(C)C)C2)cc1 ZINC001182509555 1083739529 /nfs/dbraw/zinc/73/95/29/1083739529.db2.gz VZDFLPQTHGOYKQ-HNNXBMFYSA-N 1 0 308.491 3.253 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001183686845 1083997975 /nfs/dbraw/zinc/99/79/75/1083997975.db2.gz TWFNBRGYZMVICX-BGYRXZFFSA-N 1 0 310.441 3.201 20 10 DGCDRO Cc1cc(C[N@@H+](CCCO)C(C)C)c(O)cc1Br ZINC001250129113 1084021223 /nfs/dbraw/zinc/02/12/23/1084021223.db2.gz XWSYTFFSMJVMFT-UHFFFAOYSA-N 1 0 316.239 3.056 20 10 DGCDRO COc1cccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](C)C2)c1O ZINC001203602257 1084290673 /nfs/dbraw/zinc/29/06/73/1084290673.db2.gz LQTSODZCTGGBRV-HNNXBMFYSA-N 1 0 318.461 3.240 20 10 DGCDRO CCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268266668 1084430826 /nfs/dbraw/zinc/43/08/26/1084430826.db2.gz BRYCYXOHJUDXBK-SJORKVTESA-N 1 0 318.461 3.178 20 10 DGCDRO CCCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268266661 1084430969 /nfs/dbraw/zinc/43/09/69/1084430969.db2.gz BRYCYXOHJUDXBK-DLBZAZTESA-N 1 0 318.461 3.178 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2cccc3c2OCO3)c1O ZINC001203617704 1084461512 /nfs/dbraw/zinc/46/15/12/1084461512.db2.gz VGYDEAHPZXNBTR-UHFFFAOYSA-N 1 0 315.369 3.152 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)C(C)(C)C)C2CC2)cc1C ZINC001269141197 1085156490 /nfs/dbraw/zinc/15/64/90/1085156490.db2.gz ZJMDQHHCNHKYBP-MRXNPFEDSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@H](CNC(=O)C(C)(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269497477 1085427264 /nfs/dbraw/zinc/42/72/64/1085427264.db2.gz GPSIHXUYSSDTCT-OAHLLOKOSA-N 1 0 306.450 3.034 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(Cl)cc2O)c1 ZINC001621255611 1126246221 /nfs/dbraw/zinc/24/62/21/1126246221.db2.gz NLCYZVMPXFDZLP-MRXNPFEDSA-N 1 0 305.805 3.047 20 10 DGCDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(Cl)cc1O ZINC001665368953 1126266866 /nfs/dbraw/zinc/26/68/66/1126266866.db2.gz PHMNKHNAZMOOAR-QGZVFWFLSA-N 1 0 323.795 3.268 20 10 DGCDRO C[NH+]1CCC(C2CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)CC1 ZINC001142525141 1087277376 /nfs/dbraw/zinc/27/73/76/1087277376.db2.gz ZGBAKFGENNCPCD-UHFFFAOYSA-N 1 0 324.415 3.224 20 10 DGCDRO C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@H]1Cc2ccccc2O1 ZINC001142534674 1087279730 /nfs/dbraw/zinc/27/97/30/1087279730.db2.gz SBGCBMZCIHWMGJ-CYBMUJFWSA-N 1 0 305.324 3.106 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCSCC(F)(F)F)c1 ZINC000698957532 1087713536 /nfs/dbraw/zinc/71/35/36/1087713536.db2.gz OLKCGDWSJPEWOY-SECBINFHSA-N 1 0 309.353 3.347 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](OC(C)C)C2)c1O ZINC000404468648 1087759147 /nfs/dbraw/zinc/75/91/47/1087759147.db2.gz CLCFSRDLSKWGFZ-HNNXBMFYSA-N 1 0 309.381 3.123 20 10 DGCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/C(C)(C)C)[NH+](C)C)cc1 ZINC001158718422 1087989012 /nfs/dbraw/zinc/98/90/12/1087989012.db2.gz XRRZHGJDXWOLKH-GZKZCVOOSA-N 1 0 317.477 3.074 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)C(C)(C)C(C)C)cc1C ZINC001158827063 1088054968 /nfs/dbraw/zinc/05/49/68/1088054968.db2.gz CTXOHECXCAMROY-UHFFFAOYSA-N 1 0 320.477 3.282 20 10 DGCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1O ZINC001272619350 1088324608 /nfs/dbraw/zinc/32/46/08/1088324608.db2.gz VBMAPABMYPHLPN-BEFAXECRSA-N 1 0 316.445 3.148 20 10 DGCDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214131 1088710052 /nfs/dbraw/zinc/71/00/52/1088710052.db2.gz QJICGBZQINHIKP-STQMWFEESA-N 1 0 303.233 3.401 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H](C)C(C)C)cc1C ZINC001155656582 1089199857 /nfs/dbraw/zinc/19/98/57/1089199857.db2.gz MGBDWXPXFLAJKD-HNNXBMFYSA-N 1 0 320.477 3.282 20 10 DGCDRO CC[C@H](C)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001157147186 1089842711 /nfs/dbraw/zinc/84/27/11/1089842711.db2.gz GVSDMHJPPVSPOO-AWEZNQCLSA-N 1 0 306.450 3.036 20 10 DGCDRO CCCC[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001157378073 1089932452 /nfs/dbraw/zinc/93/24/52/1089932452.db2.gz CBDHJKKRVJXLNK-OAHLLOKOSA-N 1 0 320.477 3.426 20 10 DGCDRO CC/C=C(\C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485128755 1089980388 /nfs/dbraw/zinc/98/03/88/1089980388.db2.gz RONGOGVUQIEVKW-JVPVSYIYSA-N 1 0 318.461 3.343 20 10 DGCDRO CCC1(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001164244780 1090385160 /nfs/dbraw/zinc/38/51/60/1090385160.db2.gz NSBYEFQZDABCLK-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC[C@@H]2C)cc1C ZINC001127929608 1090544117 /nfs/dbraw/zinc/54/41/17/1090544117.db2.gz UUTLLKMRQBSSAD-WMLDXEAASA-N 1 0 318.461 3.036 20 10 DGCDRO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C)cc2O)C1=O ZINC001272764653 1090560290 /nfs/dbraw/zinc/56/02/90/1090560290.db2.gz CLBORVFWHZLOQJ-IBGZPJMESA-N 1 0 316.445 3.068 20 10 DGCDRO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2O)O1 ZINC001203552770 1090754584 /nfs/dbraw/zinc/75/45/84/1090754584.db2.gz SOJAFIGSGVHWPN-ZHALLVOQSA-N 1 0 319.445 3.187 20 10 DGCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)c1 ZINC001203556453 1090755715 /nfs/dbraw/zinc/75/57/15/1090755715.db2.gz QKMXIVHSUWDOMI-GOSISDBHSA-N 1 0 313.397 3.444 20 10 DGCDRO C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC001203562340 1090757744 /nfs/dbraw/zinc/75/77/44/1090757744.db2.gz IQBKWPHCJYTLJY-HNNXBMFYSA-N 1 0 314.404 3.410 20 10 DGCDRO CC[N@H+](CCc1ccc(OC)cc1)Cc1cccc(OC)c1O ZINC001203599479 1090764439 /nfs/dbraw/zinc/76/44/39/1090764439.db2.gz FTYRRUDKZFAJOS-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2cccc(OC)c2OC)c1O ZINC001203600146 1090765364 /nfs/dbraw/zinc/76/53/64/1090765364.db2.gz SNITZZNDXATQBK-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO COc1cccc(CC[N@H+](C)Cc2ccc(OC)cc2O)c1 ZINC001203628076 1090769033 /nfs/dbraw/zinc/76/90/33/1090769033.db2.gz YPZIIBFCEDUREA-UHFFFAOYSA-N 1 0 301.386 3.084 20 10 DGCDRO COc1cccc([C@@H]2CC[N@H+](Cc3ccc(OC)cc3O)C2)c1 ZINC001203634502 1090769957 /nfs/dbraw/zinc/76/99/57/1090769957.db2.gz JHJKZXKBLHDFTK-OAHLLOKOSA-N 1 0 313.397 3.399 20 10 DGCDRO COc1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c(O)c1 ZINC001203634597 1090770170 /nfs/dbraw/zinc/77/01/70/1090770170.db2.gz NAJOXRMKNNNOPE-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1 ZINC001203670757 1090776837 /nfs/dbraw/zinc/77/68/37/1090776837.db2.gz ZPNWMEPSVFXCQM-ZDUSSCGKSA-N 1 0 307.287 3.125 20 10 DGCDRO CCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001486189984 1090782618 /nfs/dbraw/zinc/78/26/18/1090782618.db2.gz FOTIVJGYBFMZGV-IRXDYDNUSA-N 1 0 318.461 3.178 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)cc1 ZINC001203929388 1090841521 /nfs/dbraw/zinc/84/15/21/1090841521.db2.gz BPLXRVQCQZUCLO-UHFFFAOYSA-N 1 0 324.468 3.322 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001203938632 1090844000 /nfs/dbraw/zinc/84/40/00/1090844000.db2.gz AHOGEZGKCGDWMW-LJQANCHMSA-N 1 0 301.478 3.203 20 10 DGCDRO CCc1nnc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)o1 ZINC001203936268 1090844582 /nfs/dbraw/zinc/84/45/82/1090844582.db2.gz BWDANEIFYRVYTK-UHFFFAOYSA-N 1 0 314.433 3.078 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](F)(CO)CC2)cc1 ZINC001203940733 1090844761 /nfs/dbraw/zinc/84/47/61/1090844761.db2.gz XUEGAODGRKHMJV-SFHVURJKSA-N 1 0 308.441 3.219 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc3nonc3c2)cc1 ZINC001203967534 1090854432 /nfs/dbraw/zinc/85/44/32/1090854432.db2.gz DCNVKTNNRVNXQZ-ARJAWSKDSA-N 1 0 308.385 3.092 20 10 DGCDRO OCC[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001117077333 1090866198 /nfs/dbraw/zinc/86/61/98/1090866198.db2.gz WVZPGSMLORMELL-SFHVURJKSA-N 1 0 302.462 3.414 20 10 DGCDRO CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1O ZINC001204125549 1090905339 /nfs/dbraw/zinc/90/53/39/1090905339.db2.gz QDAZSLATXGWOKX-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCC[C@@H]1O ZINC001204232630 1090930098 /nfs/dbraw/zinc/93/00/98/1090930098.db2.gz GTTTWFXPWBXVOQ-YWZLYKJASA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC3(CN(C)C3)C2)c2ccccc21 ZINC001204239622 1090931664 /nfs/dbraw/zinc/93/16/64/1090931664.db2.gz ALMNVKMEKCOXIM-UHFFFAOYSA-N 1 0 309.457 3.043 20 10 DGCDRO CCC[NH+]1CCN(Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204243293 1090932453 /nfs/dbraw/zinc/93/24/53/1090932453.db2.gz VMCFQGALSUIHSS-UHFFFAOYSA-N 1 0 311.473 3.433 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]3CN(C)C[C@@H]32)c2ccccc21 ZINC001204241321 1090933042 /nfs/dbraw/zinc/93/30/42/1090933042.db2.gz DZTOBXOZPTWXLQ-UWJYYQICSA-N 1 0 323.484 3.432 20 10 DGCDRO Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)cc1 ZINC001204274995 1090938234 /nfs/dbraw/zinc/93/82/34/1090938234.db2.gz KKRBMFZBRRZBHN-GOSISDBHSA-N 1 0 313.397 3.450 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001204324799 1090949050 /nfs/dbraw/zinc/94/90/50/1090949050.db2.gz OVVWCXRZCIXMEW-MJGOQNOKSA-N 1 0 300.446 3.288 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001204324797 1090949672 /nfs/dbraw/zinc/94/96/72/1090949672.db2.gz OVVWCXRZCIXMEW-IEBWSBKVSA-N 1 0 300.446 3.288 20 10 DGCDRO c1cc(O[C@@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001204329094 1090950087 /nfs/dbraw/zinc/95/00/87/1090950087.db2.gz WTZJQPCCFZNGEV-HXUWFJFHSA-N 1 0 323.440 3.335 20 10 DGCDRO COc1cc(C[N@H+](C)CCCc2ccccc2)cc(O)c1O ZINC001204341912 1090951639 /nfs/dbraw/zinc/95/16/39/1090951639.db2.gz HMKVQEKQRFXFCC-UHFFFAOYSA-N 1 0 301.386 3.171 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2ccccc2Cl)cc(O)c1O ZINC001204345765 1090952531 /nfs/dbraw/zinc/95/25/31/1090952531.db2.gz WZOVYSFZRBRZSR-UHFFFAOYSA-N 1 0 321.804 3.434 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCCCC12COC2 ZINC001138220022 1091120291 /nfs/dbraw/zinc/12/02/91/1091120291.db2.gz XGSJTEUQXKMHKA-UHFFFAOYSA-N 1 0 300.446 3.432 20 10 DGCDRO Cc1c(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001138252584 1091126218 /nfs/dbraw/zinc/12/62/18/1091126218.db2.gz MMZDVRCUIPQWRR-KUHUBIRLSA-N 1 0 300.446 3.470 20 10 DGCDRO Cc1c(C[N@@H+]2CCCC[C@](O)(CF)C2)c2ccccc2n1C ZINC001138252329 1091127040 /nfs/dbraw/zinc/12/70/40/1091127040.db2.gz CFWTZULKJSDAMS-SFHVURJKSA-N 1 0 304.409 3.173 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCc4cc(O)ccc4C3)ccc21 ZINC001138355060 1091150440 /nfs/dbraw/zinc/15/04/40/1091150440.db2.gz FEDMGUXMWBCWHF-UHFFFAOYSA-N 1 0 308.425 3.333 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CCC(n4ccnc4)CC3)ccc21 ZINC001138356949 1091150513 /nfs/dbraw/zinc/15/05/13/1091150513.db2.gz VTPJFNLURQBGPX-UHFFFAOYSA-N 1 0 310.445 3.103 20 10 DGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)CCCN2C ZINC001138356464 1091150562 /nfs/dbraw/zinc/15/05/62/1091150562.db2.gz OQJNCMIRGYMNMA-JWTNVVGKSA-N 1 0 300.446 3.211 20 10 DGCDRO COc1cc2c(cn1)CCN(Cc1ccc3c(c1)CCCN3C)C2 ZINC001138359932 1091151530 /nfs/dbraw/zinc/15/15/30/1091151530.db2.gz LRMFWQRMKSXRTR-UHFFFAOYSA-N 1 0 323.440 3.031 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H](Oc4ccccn4)C3)ccc21 ZINC001138358987 1091152131 /nfs/dbraw/zinc/15/21/31/1091152131.db2.gz GFQDLNFUTZDFED-SFHVURJKSA-N 1 0 323.440 3.117 20 10 DGCDRO CCN(CC)c1ccc(CN(C)CC[NH+]2CCCC2)c(OC)c1 ZINC001138388972 1091163596 /nfs/dbraw/zinc/16/35/96/1091163596.db2.gz DCHDVFRGMCJMSO-UHFFFAOYSA-N 1 0 319.493 3.069 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](OC)C2)c(OC)c1 ZINC001138388507 1091163770 /nfs/dbraw/zinc/16/37/70/1091163770.db2.gz WFDXXXKNEGIUHD-QGZVFWFLSA-N 1 0 306.450 3.152 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[N@H+](CC)[C@H](C)C2)c(OC)c1 ZINC001138392085 1091165792 /nfs/dbraw/zinc/16/57/92/1091165792.db2.gz PDSOPBWOLNXVFD-MRXNPFEDSA-N 1 0 319.493 3.067 20 10 DGCDRO C[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2O)C[C@@H]1C[NH3+] ZINC001205314552 1091180620 /nfs/dbraw/zinc/18/06/20/1091180620.db2.gz BRPWNWKAFLBRRZ-ONGXEEELSA-N 1 0 303.233 3.116 20 10 DGCDRO CCN(CC)c1ccc(CN2C[C@@H](C)CC[C@H]2C[NH3+])c(OC)c1 ZINC001205817757 1091364421 /nfs/dbraw/zinc/36/44/21/1091364421.db2.gz QVTJELFZFYCFNG-YJBOKZPZSA-N 1 0 319.493 3.101 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@H]1C[NH3+] ZINC001206024567 1091455266 /nfs/dbraw/zinc/45/52/66/1091455266.db2.gz KDUTZMSWQOLZGU-RYUDHWBXSA-N 1 0 316.367 3.218 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2nonc2c1 ZINC001139223222 1091494387 /nfs/dbraw/zinc/49/43/87/1091494387.db2.gz JOSCFKSWHJFKDP-UHFFFAOYSA-N 1 0 310.401 3.311 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)cc1 ZINC001206117692 1091499251 /nfs/dbraw/zinc/49/92/51/1091499251.db2.gz ULTKTKSOXXCCON-INIZCTEOSA-N 1 0 319.399 3.262 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)[C@H]1COC(C)(C)O1 ZINC001206327429 1091580765 /nfs/dbraw/zinc/58/07/65/1091580765.db2.gz AURJTXMAHMKPKA-IIDMSEBBSA-N 1 0 320.477 3.122 20 10 DGCDRO Cc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1N(C)C ZINC001139670402 1091638117 /nfs/dbraw/zinc/63/81/17/1091638117.db2.gz MHBQOSLGZLFFBD-UHFFFAOYSA-N 1 0 323.484 3.379 20 10 DGCDRO Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139671039 1091638289 /nfs/dbraw/zinc/63/82/89/1091638289.db2.gz DXUKFZVHNYFCIX-UHFFFAOYSA-N 1 0 324.472 3.216 20 10 DGCDRO C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001206572097 1091673868 /nfs/dbraw/zinc/67/38/68/1091673868.db2.gz ASWRQTKKGXMJIC-HNNXBMFYSA-N 1 0 300.805 3.136 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(cnn3C)c2)cc1 ZINC001139957240 1091724320 /nfs/dbraw/zinc/72/43/20/1091724320.db2.gz GUAXGNAXVMPMKU-UHFFFAOYSA-N 1 0 308.429 3.271 20 10 DGCDRO Cc1ccc(C2(O)CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC001140053090 1091750386 /nfs/dbraw/zinc/75/03/86/1091750386.db2.gz OHMRKSYWBDDACL-UHFFFAOYSA-N 1 0 315.388 3.323 20 10 DGCDRO COc1ccccc1O[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055643 1091751323 /nfs/dbraw/zinc/75/13/23/1091751323.db2.gz NWPOXUKQTKHBJI-HNNXBMFYSA-N 1 0 317.360 3.193 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001140056026 1091751534 /nfs/dbraw/zinc/75/15/34/1091751534.db2.gz DXUPETVGPKDKGW-UHFFFAOYSA-N 1 0 320.339 3.109 20 10 DGCDRO Cc1cccnc1O[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060495 1091754964 /nfs/dbraw/zinc/75/49/64/1091754964.db2.gz YMZWJDJXUPEVSR-INIZCTEOSA-N 1 0 316.376 3.278 20 10 DGCDRO CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140182248 1091793234 /nfs/dbraw/zinc/79/32/34/1091793234.db2.gz MJLNTOKMUKDDQK-MLGOLLRUSA-N 1 0 305.418 3.173 20 10 DGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140184524 1091794752 /nfs/dbraw/zinc/79/47/52/1091794752.db2.gz YEGCNBAXJKACHZ-UHFFFAOYSA-N 1 0 311.381 3.311 20 10 DGCDRO COc1cncc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001206996499 1091815538 /nfs/dbraw/zinc/81/55/38/1091815538.db2.gz YHZIXEATPICEAU-UHFFFAOYSA-N 1 0 311.429 3.322 20 10 DGCDRO CC[NH+]1CCN(c2ccc(CN3CCCC(F)(F)C3)cc2)CC1 ZINC001140299591 1091819100 /nfs/dbraw/zinc/81/91/00/1091819100.db2.gz AZYPFAPWIXUAII-UHFFFAOYSA-N 1 0 323.431 3.060 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)no1 ZINC001140341979 1091835999 /nfs/dbraw/zinc/83/59/99/1091835999.db2.gz NVVPQHGNVGHRHJ-UHFFFAOYSA-N 1 0 321.808 3.371 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(Cl)cc1O ZINC001140461836 1091873923 /nfs/dbraw/zinc/87/39/23/1091873923.db2.gz VDQWLKRSAQJUPZ-UHFFFAOYSA-N 1 0 319.788 3.449 20 10 DGCDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(C)cc3O)C2)cc1 ZINC001207232875 1091893811 /nfs/dbraw/zinc/89/38/11/1091893811.db2.gz ARISSVFRXWYDKU-IBGZPJMESA-N 1 0 310.441 3.373 20 10 DGCDRO COC(C[N@H+](Cc1ccccc1)Cc1cc(C)ccc1O)OC ZINC001140617549 1091933569 /nfs/dbraw/zinc/93/35/69/1091933569.db2.gz TUHVGOWEBJGHCI-UHFFFAOYSA-N 1 0 315.413 3.322 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC001140621094 1091934474 /nfs/dbraw/zinc/93/44/74/1091934474.db2.gz OMFUXGWEZGUXHB-AZUAARDMSA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)c1 ZINC001140623638 1091937013 /nfs/dbraw/zinc/93/70/13/1091937013.db2.gz ZZAKALHHWFYAQO-UHFFFAOYSA-N 1 0 311.429 3.116 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC001140663333 1091949386 /nfs/dbraw/zinc/94/93/86/1091949386.db2.gz AETSBRZMDXFVGR-UHFFFAOYSA-N 1 0 304.409 3.038 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)[C@@H](C)C1 ZINC001140663746 1091949524 /nfs/dbraw/zinc/94/95/24/1091949524.db2.gz OHLDUXYZTSMBID-CABCVRRESA-N 1 0 306.425 3.283 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCCC12CC2 ZINC001140663519 1091950923 /nfs/dbraw/zinc/95/09/23/1091950923.db2.gz HUMWKRCBFKOTPF-UHFFFAOYSA-N 1 0 304.409 3.181 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)C2(CC2)C1 ZINC001140664965 1091951691 /nfs/dbraw/zinc/95/16/91/1091951691.db2.gz YNIHTNHVIXIIBU-CQSZACIVSA-N 1 0 304.409 3.037 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)C2(CC2)C1 ZINC001140664964 1091952842 /nfs/dbraw/zinc/95/28/42/1091952842.db2.gz YNIHTNHVIXIIBU-AWEZNQCLSA-N 1 0 304.409 3.037 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+](CC(=O)c2ccccc2)C(C)C)c1O ZINC001140747447 1091984542 /nfs/dbraw/zinc/98/45/42/1091984542.db2.gz DMUYNIKIOUZROV-UHFFFAOYSA-N 1 0 313.397 3.500 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)c1O ZINC001140749705 1091984974 /nfs/dbraw/zinc/98/49/74/1091984974.db2.gz JYAYDVBVOCMNOL-MRXNPFEDSA-N 1 0 305.418 3.187 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)Cc2ccccc2F)cc1Cl ZINC001207563781 1092023559 /nfs/dbraw/zinc/02/35/59/1092023559.db2.gz FOISNTALSVUQIR-CQSZACIVSA-N 1 0 323.795 3.186 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(O)c1 ZINC001140851042 1092028290 /nfs/dbraw/zinc/02/82/90/1092028290.db2.gz ZBKATQMDNGBIPI-DNVCBOLYSA-N 1 0 318.461 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(CCOC)CC2)c(O)c1 ZINC001140854778 1092031653 /nfs/dbraw/zinc/03/16/53/1092031653.db2.gz AKEQXXKEZGIKEF-UHFFFAOYSA-N 1 0 320.477 3.487 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)c(O)c1 ZINC001140856879 1092033683 /nfs/dbraw/zinc/03/36/83/1092033683.db2.gz PGBGXVYOJSVEJS-INIZCTEOSA-N 1 0 319.493 3.153 20 10 DGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924708 1092065183 /nfs/dbraw/zinc/06/51/83/1092065183.db2.gz NIYHPGHEZGKGBW-QGZVFWFLSA-N 1 0 324.852 3.181 20 10 DGCDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140949487 1092075317 /nfs/dbraw/zinc/07/53/17/1092075317.db2.gz BVEYVWYYSZJEFZ-OAHLLOKOSA-N 1 0 320.433 3.142 20 10 DGCDRO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1 ZINC001140948255 1092075660 /nfs/dbraw/zinc/07/56/60/1092075660.db2.gz ZXSKQJBURSWDDC-AWEZNQCLSA-N 1 0 320.433 3.142 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)cc1 ZINC001140948642 1092076188 /nfs/dbraw/zinc/07/61/88/1092076188.db2.gz RXDPBEFQDNDSJD-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO Cc1ccc(CN2CCC([NH+]3CCC(F)CC3)CC2)c(O)c1 ZINC001140950962 1092077056 /nfs/dbraw/zinc/07/70/56/1092077056.db2.gz QWQYDTIRHSPOQQ-UHFFFAOYSA-N 1 0 306.425 3.099 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(Oc3ncccc3C)CC2)c(O)c1 ZINC001140954070 1092078762 /nfs/dbraw/zinc/07/87/62/1092078762.db2.gz KQBNFRJSDNHHPF-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C)cc1O ZINC001140958134 1092081167 /nfs/dbraw/zinc/08/11/67/1092081167.db2.gz RZQINNLTRDKPAG-UHFFFAOYSA-N 1 0 308.422 3.047 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCCC23OCCO3)cc1Cl ZINC001207787060 1092101645 /nfs/dbraw/zinc/10/16/45/1092101645.db2.gz GJHDJPTUMJNSIY-HNNXBMFYSA-N 1 0 311.809 3.129 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)CC2)c1O ZINC001207837269 1092113630 /nfs/dbraw/zinc/11/36/30/1092113630.db2.gz NVRRLLAFIAGKFN-MRXNPFEDSA-N 1 0 307.434 3.346 20 10 DGCDRO COc1cc(O)c(CN(Cc2ccco2)C2CC2)c(OC)c1 ZINC001141030739 1092113663 /nfs/dbraw/zinc/11/36/63/1092113663.db2.gz JDXPOKXPJHREGB-UHFFFAOYSA-N 1 0 303.358 3.167 20 10 DGCDRO CC[NH+](CC)CCN(C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074668 1092130219 /nfs/dbraw/zinc/13/02/19/1092130219.db2.gz QJQVMKVUIQPCPD-UHFFFAOYSA-N 1 0 315.505 3.159 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC(F)(F)C(C)(C)C3)ccc21 ZINC001141140075 1092149163 /nfs/dbraw/zinc/14/91/63/1092149163.db2.gz IBAZTOUQRZWBOC-UHFFFAOYSA-N 1 0 310.388 3.382 20 10 DGCDRO CN1CCOc2cc(CN3CCc4c(F)cccc4C3)ccc21 ZINC001141145802 1092150455 /nfs/dbraw/zinc/15/04/55/1092150455.db2.gz ZXXLFXHUYJZSAA-UHFFFAOYSA-N 1 0 312.388 3.213 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H]3Cc3ccccn3)ccc21 ZINC001141143707 1092150878 /nfs/dbraw/zinc/15/08/78/1092150878.db2.gz GOVOOYDDSCMQQK-SFHVURJKSA-N 1 0 323.440 3.117 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1C ZINC001141156091 1092155835 /nfs/dbraw/zinc/15/58/35/1092155835.db2.gz QDZTUNIBCITMME-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO COc1cc(Cl)ncc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001141346461 1092216128 /nfs/dbraw/zinc/21/61/28/1092216128.db2.gz IUNKHPRCQZDISZ-UHFFFAOYSA-N 1 0 319.836 3.442 20 10 DGCDRO CC[N@H+](Cc1cnc(C(F)(F)F)nc1)Cc1ccccc1O ZINC001141464977 1092248077 /nfs/dbraw/zinc/24/80/77/1092248077.db2.gz RZKSEQQWSQMIST-UHFFFAOYSA-N 1 0 311.307 3.223 20 10 DGCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)nc1 ZINC001142530186 1092493861 /nfs/dbraw/zinc/49/38/61/1092493861.db2.gz ADUCVBZDWSVOJP-ZDUSSCGKSA-N 1 0 320.339 3.027 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1O ZINC001143103486 1092614843 /nfs/dbraw/zinc/61/48/43/1092614843.db2.gz DQVLTDSCHGDPLL-CYBMUJFWSA-N 1 0 313.388 3.139 20 10 DGCDRO C[N@@H+]1CCC[C@@]2(CCCN(Cc3cc(Cl)c(O)cc3O)C2)C1 ZINC001276617073 1092662633 /nfs/dbraw/zinc/66/26/33/1092662633.db2.gz NLPIRAUNTDAVMK-QGZVFWFLSA-N 1 0 324.852 3.059 20 10 DGCDRO CNc1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc[nH+]1 ZINC001216333122 1094176731 /nfs/dbraw/zinc/17/67/31/1094176731.db2.gz HRPNKWPUWPRGJP-STMMAZFDSA-N 1 0 319.372 3.391 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)CC(C)(C)C)cc1C ZINC001134797913 1094293991 /nfs/dbraw/zinc/29/39/91/1094293991.db2.gz VSFQCNQAJSVISX-HNNXBMFYSA-N 1 0 320.477 3.282 20 10 DGCDRO Cc1ccccc1C[N@@H+]1CCCN(Cc2ccc(N)cc2)CC1 ZINC001120263526 1094397102 /nfs/dbraw/zinc/39/71/02/1094397102.db2.gz RFCPUNDDWFBFIC-UHFFFAOYSA-N 1 0 309.457 3.285 20 10 DGCDRO O=C1C=CC(=NNc2ccccc2)C(O[C@H]2C[NH2+]CCOC2)=C1 ZINC001218041144 1094573563 /nfs/dbraw/zinc/57/35/63/1094573563.db2.gz CVEYPVSNRHPEPD-CVTQAYBASA-N 1 0 313.357 3.175 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCCOCC2)C1 ZINC001170828101 1094593032 /nfs/dbraw/zinc/59/30/32/1094593032.db2.gz SWGMSEIZSXAPNS-AWEZNQCLSA-N 1 0 314.429 3.114 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)C)cc1C ZINC001135987796 1094787911 /nfs/dbraw/zinc/78/79/11/1094787911.db2.gz IOEJVIJGFCVYRV-CABCVRRESA-N 1 0 320.477 3.423 20 10 DGCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(Br)cc1O ZINC000694062848 1095014511 /nfs/dbraw/zinc/01/45/11/1095014511.db2.gz AUAIXFVWEJXBPL-NSHDSACASA-N 1 0 321.218 3.271 20 10 DGCDRO C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1O ZINC000315868147 1095140626 /nfs/dbraw/zinc/14/06/26/1095140626.db2.gz NAJRFSGWANYCKT-ZDUSSCGKSA-N 1 0 304.434 3.080 20 10 DGCDRO 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CC[C@@H]([NH2+]Cc1c(O)cccc1Br)[C@H]1CCCO1 ZINC001118858644 1096095347 /nfs/dbraw/zinc/09/53/47/1096095347.db2.gz PDYCJPNZVARDMK-TZMCWYRMSA-N 1 0 314.223 3.202 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)cc1O ZINC001171352283 1096521994 /nfs/dbraw/zinc/52/19/94/1096521994.db2.gz XSMLNOMMGCONOK-CYBMUJFWSA-N 1 0 305.324 3.023 20 10 DGCDRO COC(=O)Cc1cc(NCc2cc3ccccc3cc2O)cc[nH+]1 ZINC001171406789 1096675855 /nfs/dbraw/zinc/67/58/55/1096675855.db2.gz FMGOHXQIWAJQQI-UHFFFAOYSA-N 1 0 322.364 3.268 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)cc1O ZINC001171516148 1096916188 /nfs/dbraw/zinc/91/61/88/1096916188.db2.gz KMTTYDMOQDNHPJ-LLVKDONJSA-N 1 0 323.314 3.162 20 10 DGCDRO Cc1ccc(CC[C@H](C)[NH2+]CCc2cc(O)c(O)cc2O)cc1 ZINC001171659159 1096941005 /nfs/dbraw/zinc/94/10/05/1096941005.db2.gz ZFQXFKCZOLKKSL-AWEZNQCLSA-N 1 0 315.413 3.265 20 10 DGCDRO CC(C)COCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001172455342 1097160160 /nfs/dbraw/zinc/16/01/60/1097160160.db2.gz 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CC(C)(C)c1cc(O)c(CN2CCC[C@@H]3[NH2+]C[C@@H]32)cc1Cl ZINC001235308237 1098953351 /nfs/dbraw/zinc/95/33/51/1098953351.db2.gz WHXGUJZJZWLUQO-GJZGRUSLSA-N 1 0 308.853 3.279 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001235432710 1099028217 /nfs/dbraw/zinc/02/82/17/1099028217.db2.gz VODWEXZAONVWGY-UHFFFAOYSA-N 1 0 312.413 3.224 20 10 DGCDRO CC(C)[C@@H]1CN(Cc2c(O)ccc(Cl)c2Cl)CC[NH2+]1 ZINC001235475093 1099058464 /nfs/dbraw/zinc/05/84/64/1099058464.db2.gz LSHOULROIKQDOO-LBPRGKRZSA-N 1 0 303.233 3.129 20 10 DGCDRO Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(N)cc4)C[C@H]3C2)cc1 ZINC001235520792 1099071608 /nfs/dbraw/zinc/07/16/08/1099071608.db2.gz XZHIMFJGHUGJNV-WOJBJXKFSA-N 1 0 321.468 3.141 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c(O)c1 ZINC001235674985 1099117845 /nfs/dbraw/zinc/11/78/45/1099117845.db2.gz KUDKLSSCKWBEDP-SFHVURJKSA-N 1 0 309.425 3.376 20 10 DGCDRO Oc1ccc(F)cc1CN1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001235791865 1099182155 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C[NH2+][C@H]1CCN1Cc1c(O)ccc2cc(Br)ccc21 ZINC001236165998 1099441951 /nfs/dbraw/zinc/44/19/51/1099441951.db2.gz CLBWLFBBNXJFOO-OAHLLOKOSA-N 1 0 321.218 3.059 20 10 DGCDRO CN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@]1(C)CCC[NH2+]C1 ZINC001236207618 1099464227 /nfs/dbraw/zinc/46/42/27/1099464227.db2.gz BZETXAIFHQNAFX-IBGZPJMESA-N 1 0 316.445 3.150 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCc3ccc(N)cc3C2)c1O ZINC001236233463 1099487782 /nfs/dbraw/zinc/48/77/82/1099487782.db2.gz JAOQCWNAYZWXCN-UHFFFAOYSA-N 1 0 302.805 3.495 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCc3cc(F)ccc3C2)c(O)c1 ZINC001180786905 1099502008 /nfs/dbraw/zinc/50/20/08/1099502008.db2.gz JVSRLBONESJMCU-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO CCCN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CC[NH2+]C1 ZINC001236331087 1099542114 /nfs/dbraw/zinc/54/21/14/1099542114.db2.gz WHHMLAJMKBXKEE-OAHLLOKOSA-N 1 0 316.445 3.150 20 10 DGCDRO Nc1cccc2c1CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001236364275 1099553193 /nfs/dbraw/zinc/55/31/93/1099553193.db2.gz 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C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])[C@H]1CO ZINC001236794142 1099788850 /nfs/dbraw/zinc/78/88/50/1099788850.db2.gz QEEATGNXDMPRRV-RNCFNFMXSA-N 1 0 304.217 3.292 20 10 DGCDRO COCC[N@H+](C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236791596 1099789109 /nfs/dbraw/zinc/78/91/09/1099789109.db2.gz HJRBADORNVRYKA-UHFFFAOYSA-N 1 0 301.386 3.049 20 10 DGCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Cl)c(Cl)cc1O ZINC001236796537 1099789504 /nfs/dbraw/zinc/78/95/04/1099789504.db2.gz QCKOLHDWHOTVEL-HZMBPMFUSA-N 1 0 315.244 3.225 20 10 DGCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236799247 1099792918 /nfs/dbraw/zinc/79/29/18/1099792918.db2.gz MVOYAJJBNICRJA-LBPRGKRZSA-N 1 0 315.244 3.368 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC3(C2)CCOCC3)c(Cl)c1 ZINC001236800119 1099794767 /nfs/dbraw/zinc/79/47/67/1099794767.db2.gz SMDNFLGICVXQBP-UHFFFAOYSA-N 1 0 311.809 3.057 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c([O-])c1Cl ZINC001236812588 1099802617 /nfs/dbraw/zinc/80/26/17/1099802617.db2.gz 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ZINC001237121972 1099982375 /nfs/dbraw/zinc/98/23/75/1099982375.db2.gz DALALTKYHLMYRT-UHFFFAOYSA-N 1 0 324.302 3.244 20 10 DGCDRO Oc1ccc(F)c(Cl)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC001237131214 1099986572 /nfs/dbraw/zinc/98/65/72/1099986572.db2.gz VBYHQOMDGYOZKB-UHFFFAOYSA-N 1 0 309.772 3.218 20 10 DGCDRO CN1CCCc2cc(CN(C3CCC3)[C@H]3CCC[NH2+]C3)ccc21 ZINC001237153356 1100001827 /nfs/dbraw/zinc/00/18/27/1100001827.db2.gz CHVPLMXBIFBPHA-IBGZPJMESA-N 1 0 313.489 3.176 20 10 DGCDRO COc1ccc(C[NH+]2CCC3(Cc4ccccc4N3)CC2)c(O)c1 ZINC001237332529 1100080709 /nfs/dbraw/zinc/08/07/09/1100080709.db2.gz DORMBQJKGIALRZ-UHFFFAOYSA-N 1 0 324.424 3.404 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001237484568 1100139209 /nfs/dbraw/zinc/13/92/09/1100139209.db2.gz FYUXUBDOFISDSM-IUODEOHRSA-N 1 0 317.351 3.226 20 10 DGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3c(C)cccc3O)C2)n1 ZINC001237487753 1100140943 /nfs/dbraw/zinc/14/09/43/1100140943.db2.gz MUKNHMYYGZUQEJ-CYBMUJFWSA-N 1 0 301.390 3.026 20 10 DGCDRO Cc1cccc(O)c1CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001237492248 1100143947 /nfs/dbraw/zinc/14/39/47/1100143947.db2.gz TZWYFXQEZULJFQ-DLBZAZTESA-N 1 0 306.425 3.099 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001237494251 1100144990 /nfs/dbraw/zinc/14/49/90/1100144990.db2.gz GOOLLRGTXAQAAM-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO Cc1cccc(O)c1CN1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001237495211 1100145480 /nfs/dbraw/zinc/14/54/80/1100145480.db2.gz NHBGKXQHIMCKRH-MRXNPFEDSA-N 1 0 310.388 3.006 20 10 DGCDRO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237641728 1100199482 /nfs/dbraw/zinc/19/94/82/1100199482.db2.gz WKARLDDBTVOYEW-SJORKVTESA-N 1 0 319.351 3.103 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCN2CC[C@H]2C1 ZINC001237645316 1100202261 /nfs/dbraw/zinc/20/22/61/1100202261.db2.gz BCTUVRQVESRYHB-SFHVURJKSA-N 1 0 312.388 3.088 20 10 DGCDRO COc1cc(C[NH+]2CCc3ccccc3CC2)c(O)c(OC)c1 ZINC001237676435 1100209538 /nfs/dbraw/zinc/20/95/38/1100209538.db2.gz 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DGCDRO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001197326685 1101547579 /nfs/dbraw/zinc/54/75/79/1101547579.db2.gz UURFXGKPLINMQD-OAHLLOKOSA-N 1 0 316.367 3.214 20 10 DGCDRO CC(C)C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N(C)C ZINC001199144801 1102069352 /nfs/dbraw/zinc/06/93/52/1102069352.db2.gz WLLSORRLBYTGGG-IHHMQQGQSA-N 1 0 303.494 3.332 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c(O)c1 ZINC001205890468 1102350639 /nfs/dbraw/zinc/35/06/39/1102350639.db2.gz RZYPZXYRVJRDII-WMZOPIPTSA-N 1 0 309.450 3.088 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC001200972192 1102451360 /nfs/dbraw/zinc/45/13/60/1102451360.db2.gz WKPNPGMTHUORIB-OTWHNJEPSA-N 1 0 300.446 3.334 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1F ZINC001202408345 1102972625 /nfs/dbraw/zinc/97/26/25/1102972625.db2.gz PRKICCDOWISHNP-QAPCUYQASA-N 1 0 308.441 3.313 20 10 DGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2O)O1 ZINC000688864625 1103260920 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Nc1ccc(CC[NH2+][C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC001246466996 1104551089 /nfs/dbraw/zinc/55/10/89/1104551089.db2.gz RHJWKLZWHVCTFH-INIZCTEOSA-N 1 0 302.805 3.058 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246525851 1104577649 /nfs/dbraw/zinc/57/76/49/1104577649.db2.gz OJAFNCRIJAZNFW-DEYYWGMASA-N 1 0 302.462 3.363 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)F)cc1C ZINC001330723658 1104631649 /nfs/dbraw/zinc/63/16/49/1104631649.db2.gz AMDRHLTUHHYRGQ-AWEZNQCLSA-N 1 0 324.440 3.126 20 10 DGCDRO CCC(C)(CC)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001275451262 1104764319 /nfs/dbraw/zinc/76/43/19/1104764319.db2.gz HYAYWABQYHJLJO-HNNXBMFYSA-N 1 0 320.477 3.424 20 10 DGCDRO Cc1cc(F)cc2nc(-c3ccc(N4CC[NH2+]CC4)cc3)[nH]c21 ZINC001247008595 1104774440 /nfs/dbraw/zinc/77/44/40/1104774440.db2.gz JYSSKZYSRKIUSZ-UHFFFAOYSA-N 1 0 310.376 3.087 20 10 DGCDRO Cc1cc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)nc2c(C)c1 ZINC001247009907 1104775648 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C[N@@H+]1CCC2(CN(Cc3cccc(-c4ccccc4)c3O)C2)C1 ZINC001276140011 1105029245 /nfs/dbraw/zinc/02/92/45/1105029245.db2.gz MXSHHPXFFPHGRE-UHFFFAOYSA-N 1 0 308.425 3.197 20 10 DGCDRO CC(C)(C)c1cc(O)c(C[NH+]2CC(C3COC3)C2)cc1Cl ZINC001248880755 1105185141 /nfs/dbraw/zinc/18/51/41/1105185141.db2.gz MJBFWKTXABPQDN-UHFFFAOYSA-N 1 0 309.837 3.421 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)[C@H]1CO ZINC001249223611 1105249807 /nfs/dbraw/zinc/24/98/07/1105249807.db2.gz JRGGNYVHBDPGNV-CJNGLKHVSA-N 1 0 317.429 3.169 20 10 DGCDRO C[C@@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@H](C)N1C ZINC001249252689 1105257209 /nfs/dbraw/zinc/25/72/09/1105257209.db2.gz RAYAYBVGDHEQCS-OKILXGFUSA-N 1 0 316.445 3.101 20 10 DGCDRO CO[C@@H](C)C1C[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249258623 1105258603 /nfs/dbraw/zinc/25/86/03/1105258603.db2.gz KXDUCAJCCROGIL-LBPRGKRZSA-N 1 0 303.402 3.043 20 10 DGCDRO CCOC(=O)CCCOc1ccc(C[N@H+](C)[C@H](C)CC)c(O)c1 ZINC001249731030 1105368606 /nfs/dbraw/zinc/36/86/06/1105368606.db2.gz PCNGYWRGSKIKHV-CQSZACIVSA-N 1 0 323.433 3.345 20 10 DGCDRO Cc1cc(C[N@H+](C)Cc2ccccn2)c(O)cc1Br ZINC001250117328 1105445733 /nfs/dbraw/zinc/44/57/33/1105445733.db2.gz NBPJQAFXVGTJLL-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO Cc1cc(C[N@@H+](C)C2CCOCC2)c(O)cc1Br ZINC001250120769 1105446576 /nfs/dbraw/zinc/44/65/76/1105446576.db2.gz PVRIOHJVGLKSFW-UHFFFAOYSA-N 1 0 314.223 3.074 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@H](O)C(F)(F)F ZINC001251001299 1105618704 /nfs/dbraw/zinc/61/87/04/1105618704.db2.gz GSBNRNUIRGJYTM-SMDDNHRTSA-N 1 0 317.351 3.145 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)C(C)C)cc1C ZINC001491471430 1105832447 /nfs/dbraw/zinc/83/24/47/1105832447.db2.gz WNJMBUANTUEUCZ-OAHLLOKOSA-N 1 0 320.477 3.280 20 10 DGCDRO CC[NH+](CC)C[C@H](O)CNc1cccc2c1C(=O)c1ccccc1-2 ZINC001253199150 1105902039 /nfs/dbraw/zinc/90/20/39/1105902039.db2.gz RMXCYTSRDLRUDI-CQSZACIVSA-N 1 0 324.424 3.013 20 10 DGCDRO CCOC(=O)[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001255372790 1106234538 /nfs/dbraw/zinc/23/45/38/1106234538.db2.gz ANTVHMKXSOIFKF-FUHWJXTLSA-N 1 0 318.461 3.306 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC001255552129 1106269182 /nfs/dbraw/zinc/26/91/82/1106269182.db2.gz UFWOAJOCENBNMC-KRWDZBQOSA-N 1 0 318.461 3.165 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC001256331444 1106407147 /nfs/dbraw/zinc/40/71/47/1106407147.db2.gz IIEOUMAYZFUWFF-UHFFFAOYSA-N 1 0 316.445 3.252 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C3CCCC3)C2)cc1 ZINC001256905927 1106507931 /nfs/dbraw/zinc/50/79/31/1106507931.db2.gz VZKRCSKPTWWFBM-QGZVFWFLSA-N 1 0 301.478 3.249 20 10 DGCDRO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC001257147392 1106544459 /nfs/dbraw/zinc/54/44/59/1106544459.db2.gz UOCTYJIKXMMCAR-CQSZACIVSA-N 1 0 313.397 3.290 20 10 DGCDRO CCCCOC(=O)CC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001257386458 1106578880 /nfs/dbraw/zinc/57/88/80/1106578880.db2.gz SDNHRVQSDKDNHU-HNNXBMFYSA-N 1 0 306.450 3.354 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H]3CCCSC3)CC2)c(C)c1 ZINC001257680628 1106620694 /nfs/dbraw/zinc/62/06/94/1106620694.db2.gz CBJXOFWLGVZDTA-HNNXBMFYSA-N 1 0 306.475 3.021 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001319973218 1106749663 /nfs/dbraw/zinc/74/96/63/1106749663.db2.gz QZTUPCDMJBATMM-GOSISDBHSA-N 1 0 324.424 3.095 20 10 DGCDRO CCOC(=O)CC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1O ZINC001258483366 1106773407 /nfs/dbraw/zinc/77/34/07/1106773407.db2.gz GBQJSLIXYYTGJM-CYBMUJFWSA-N 1 0 301.386 3.367 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H]3CCC(C)(C)C3)CC2)c(OC)c1 ZINC001258608418 1106848921 /nfs/dbraw/zinc/84/89/21/1106848921.db2.gz JUAODSPGDDEXIX-HNNXBMFYSA-N 1 0 318.461 3.405 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCC[C@H](C)C2)c(O)c1C ZINC001320132239 1106890505 /nfs/dbraw/zinc/89/05/05/1106890505.db2.gz IYIXZYATUNYZMZ-XJKSGUPXSA-N 1 0 318.461 3.308 20 10 DGCDRO COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001320410481 1106996663 /nfs/dbraw/zinc/99/66/63/1106996663.db2.gz BXNQLJGVPOFDNN-HZSPNIEDSA-N 1 0 318.417 3.069 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC001321007470 1107219207 /nfs/dbraw/zinc/21/92/07/1107219207.db2.gz HVMXNAAWVMQQIS-KRWDZBQOSA-N 1 0 304.434 3.060 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)CO[C@@H]1CCOC1 ZINC001321024798 1107225095 /nfs/dbraw/zinc/22/50/95/1107225095.db2.gz VWGRKGKLUXNEJG-BARDWOONSA-N 1 0 305.418 3.033 20 10 DGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001321074684 1107241281 /nfs/dbraw/zinc/24/12/81/1107241281.db2.gz SCAGKJCMAGBRHS-IMJJTQAJSA-N 1 0 316.445 3.097 20 10 DGCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C12CCC2 ZINC001261295593 1107407489 /nfs/dbraw/zinc/40/74/89/1107407489.db2.gz DJAXYTFLLMPUAC-ROUUACIJSA-N 1 0 300.446 3.334 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC001261390020 1107427748 /nfs/dbraw/zinc/42/77/48/1107427748.db2.gz YRJKTGDMIAAUEP-AJNGGQMLSA-N 1 0 316.445 3.130 20 10 DGCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001261787871 1107528711 /nfs/dbraw/zinc/52/87/11/1107528711.db2.gz DMPUJWJGDMFDGD-MEDUHNTESA-N 1 0 324.371 3.226 20 10 DGCDRO Nc1ccc2c(c1)OCC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001261903912 1107558699 /nfs/dbraw/zinc/55/86/99/1107558699.db2.gz NZPGYMLGYCLYEA-UHFFFAOYSA-N 1 0 323.440 3.264 20 10 DGCDRO C=C/C(C)=C/CC(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317619683 1107566564 /nfs/dbraw/zinc/56/65/64/1107566564.db2.gz GTMJCQIPGHIRGT-VIZOYTHASA-N 1 0 316.445 3.074 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c1O ZINC001262111769 1107623391 /nfs/dbraw/zinc/62/33/91/1107623391.db2.gz PDBBFPSFTDYLKE-KUHUBIRLSA-N 1 0 315.413 3.095 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cccc(N(C)C)n1 ZINC001323830041 1108097367 /nfs/dbraw/zinc/09/73/67/1108097367.db2.gz PAWIVVOFIHGLMD-UKRRQHHQSA-N 1 0 311.429 3.500 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCNC(=O)C1CCC1 ZINC001323830796 1108098821 /nfs/dbraw/zinc/09/88/21/1108098821.db2.gz TZGKOPOJOZXLRX-HIFRSBDPSA-N 1 0 316.445 3.145 20 10 DGCDRO CO[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC001324541366 1108333372 /nfs/dbraw/zinc/33/33/72/1108333372.db2.gz JYLQWXBMHXNUKM-NVXWUHKLSA-N 1 0 301.361 3.496 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC001324747410 1108451640 /nfs/dbraw/zinc/45/16/40/1108451640.db2.gz WCMMHDXFOXBTGE-JJTKIYQPSA-N 1 0 302.462 3.126 20 10 DGCDRO COc1cc(O)c(C[NH+]2CC(c3ccc(F)cc3)C2)cc1OC ZINC001325012726 1108557304 /nfs/dbraw/zinc/55/73/04/1108557304.db2.gz IXTXRTLJXOEXTP-UHFFFAOYSA-N 1 0 317.360 3.148 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cc(Cl)ccc1O ZINC001325355580 1108630758 /nfs/dbraw/zinc/63/07/58/1108630758.db2.gz CWMBVLBAEFBAFV-OLZOCXBDSA-N 1 0 324.852 3.345 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCOc1ncccc1F ZINC001325357715 1108631151 /nfs/dbraw/zinc/63/11/51/1108631151.db2.gz WMHNUIKLDNEYDF-OCCSQVGLSA-N 1 0 316.376 3.452 20 10 DGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001319831336 1108655609 /nfs/dbraw/zinc/65/56/09/1108655609.db2.gz VDFKPJOFJJTFEQ-QAPCUYQASA-N 1 0 314.429 3.482 20 10 DGCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001319831337 1108655732 /nfs/dbraw/zinc/65/57/32/1108655732.db2.gz VDFKPJOFJJTFEQ-YJBOKZPZSA-N 1 0 314.429 3.482 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCC3(CCC3)O2)cc1 ZINC001307898104 1111353209 /nfs/dbraw/zinc/35/32/09/1111353209.db2.gz YGIYPVOTLOMOAC-GOSISDBHSA-N 1 0 318.461 3.165 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC001307968880 1111360757 /nfs/dbraw/zinc/36/07/57/1111360757.db2.gz LTXPTDNAHCCFHZ-HXUWFJFHSA-N 1 0 309.457 3.463 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC001308145961 1111384410 /nfs/dbraw/zinc/38/44/10/1111384410.db2.gz RXTKQKOSMZJYAF-ROUUACIJSA-N 1 0 302.462 3.391 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1F ZINC001308184576 1111392818 /nfs/dbraw/zinc/39/28/18/1111392818.db2.gz ATIBLJGRXTWARO-IBGZPJMESA-N 1 0 316.420 3.495 20 10 DGCDRO c1ccc2c(c1)CN(CC[NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001308227672 1111401357 /nfs/dbraw/zinc/40/13/57/1111401357.db2.gz QLDOIVBYADLBLO-UHFFFAOYSA-N 1 0 308.425 3.117 20 10 DGCDRO CN(C)c1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001308238719 1111403257 /nfs/dbraw/zinc/40/32/57/1111403257.db2.gz OFWPNEXJLGBEFV-UHFFFAOYSA-N 1 0 310.441 3.410 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC001308440491 1111429389 /nfs/dbraw/zinc/42/93/89/1111429389.db2.gz WBWAZPHIGAGVCO-ZDUSSCGKSA-N 1 0 320.868 3.169 20 10 DGCDRO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001308464218 1111431368 /nfs/dbraw/zinc/43/13/68/1111431368.db2.gz QTBUCVKHDBVUKI-GOSISDBHSA-N 1 0 315.505 3.497 20 10 DGCDRO FC1(F)[C@@H]2CCCO[C@@]21C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001308468992 1111431941 /nfs/dbraw/zinc/43/19/41/1111431941.db2.gz YEWHHMGKNHPAFL-SJORKVTESA-N 1 0 322.399 3.191 20 10 DGCDRO Fc1cc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)ccc1N1CCOCC1 ZINC001308522986 1111437573 /nfs/dbraw/zinc/43/75/73/1111437573.db2.gz GRNAAVOOFXVOGN-ULQDDVLXSA-N 1 0 318.436 3.188 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)cc1F ZINC001308531015 1111438956 /nfs/dbraw/zinc/43/89/56/1111438956.db2.gz YDUMJXWBQGCHBL-OAHLLOKOSA-N 1 0 306.425 3.473 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH+]1CCN(c2cccs2)CC1 ZINC001308593772 1111448492 /nfs/dbraw/zinc/44/84/92/1111448492.db2.gz JOXASROIHHNPCF-UHFFFAOYSA-N 1 0 308.834 3.429 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)C[C@@H](C)c2nccs2)c(O)c1 ZINC001308636099 1111454514 /nfs/dbraw/zinc/45/45/14/1111454514.db2.gz YKTVJWXYKTXBIC-GFCCVEGCSA-N 1 0 306.431 3.401 20 10 DGCDRO CC[NH+](CC)[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001308660927 1111457470 /nfs/dbraw/zinc/45/74/70/1111457470.db2.gz UZNNWSPLCALWGZ-FQQSSWHASA-N 1 0 301.478 3.182 20 10 DGCDRO CC[NH+](CC)[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001308660929 1111457545 /nfs/dbraw/zinc/45/75/45/1111457545.db2.gz UZNNWSPLCALWGZ-QULHZPMSSA-N 1 0 301.478 3.182 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)c1O ZINC001308675524 1111458882 /nfs/dbraw/zinc/45/88/82/1111458882.db2.gz DCVWFZSUPGUNHC-MRXNPFEDSA-N 1 0 319.445 3.366 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c1 ZINC001308673504 1111459031 /nfs/dbraw/zinc/45/90/31/1111459031.db2.gz WPOGHFDFALDDAQ-UHFFFAOYSA-N 1 0 319.788 3.279 20 10 DGCDRO CCCC[N@H+](CCCO)Cc1cc(F)c(N(C)C)cc1F ZINC001308745208 1111469300 /nfs/dbraw/zinc/46/93/00/1111469300.db2.gz RYYLJHRIEDLVBR-UHFFFAOYSA-N 1 0 300.393 3.015 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC001308753280 1111469760 /nfs/dbraw/zinc/46/97/60/1111469760.db2.gz NPVCQPQWJLPTKT-INIZCTEOSA-N 1 0 320.433 3.007 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC001308792423 1111475548 /nfs/dbraw/zinc/47/55/48/1111475548.db2.gz JLGWXGBGSMLZKY-HNNXBMFYSA-N 1 0 302.462 3.432 20 10 DGCDRO COCC(C)(C)[NH+]1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001308828815 1111481099 /nfs/dbraw/zinc/48/10/99/1111481099.db2.gz YTYIHNXHDOLTCY-UHFFFAOYSA-N 1 0 320.477 3.058 20 10 DGCDRO CCC(C)(C)[NH+]1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC001308839615 1111482632 /nfs/dbraw/zinc/48/26/32/1111482632.db2.gz GDAGBVJBGJNMQL-UHFFFAOYSA-N 1 0 303.494 3.367 20 10 DGCDRO Cc1ccc(C[N@H+]2CCN(C)C[C@@H]2Cc2ccccc2)c(O)c1 ZINC001308850021 1111484144 /nfs/dbraw/zinc/48/41/44/1111484144.db2.gz LCABTEXREUYVTK-IBGZPJMESA-N 1 0 310.441 3.059 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(O)c2Br)c1 ZINC001308868339 1111486494 /nfs/dbraw/zinc/48/64/94/1111486494.db2.gz GIYQUJNNYPMFES-UHFFFAOYSA-N 1 0 322.202 3.459 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1Cl ZINC001308894625 1111490012 /nfs/dbraw/zinc/49/00/12/1111490012.db2.gz QOMDMXMAVURPKK-HNNXBMFYSA-N 1 0 308.853 3.461 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cn3cccc(C)c3n2)c1O ZINC000076895230 185051031 /nfs/dbraw/zinc/05/10/31/185051031.db2.gz KVUKXCJILRCUEB-UHFFFAOYSA-N 1 0 311.385 3.037 20 10 DGCDRO CCN(CC)c1ncc(C[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000079076919 185154398 /nfs/dbraw/zinc/15/43/98/185154398.db2.gz APGKRHLFSIXXHV-UHFFFAOYSA-N 1 0 318.490 3.345 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000103855039 432013248 /nfs/dbraw/zinc/01/32/48/432013248.db2.gz RTJCIMOPNCIWFT-UHFFFAOYSA-N 1 0 310.397 3.117 20 10 DGCDRO C[N@H+](Cc1ccccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179560342 432062841 /nfs/dbraw/zinc/06/28/41/432062841.db2.gz JSPHXBLQRHJAEJ-UHFFFAOYSA-N 1 0 320.433 3.224 20 10 DGCDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccccc1O ZINC000179585161 432064015 /nfs/dbraw/zinc/06/40/15/432064015.db2.gz PISXLGGYPIOIFG-YEJXKQKISA-N 1 0 303.427 3.323 20 10 DGCDRO CCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000268569374 432104727 /nfs/dbraw/zinc/10/47/27/432104727.db2.gz PZPUEAUVMUKOMM-SFHVURJKSA-N 1 0 324.424 3.160 20 10 DGCDRO CCOc1cc(C[N@H+](C)Cc2ccccc2O)ccc1OC ZINC000091956746 193132219 /nfs/dbraw/zinc/13/22/19/193132219.db2.gz PJWROGJUTQXSRQ-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc(OC)c2O)C12CCC2 ZINC000092040981 193145491 /nfs/dbraw/zinc/14/54/91/193145491.db2.gz UEIISLANRJOOAC-HOTGVXAUSA-N 1 0 305.418 3.180 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000092069125 193152039 /nfs/dbraw/zinc/15/20/39/193152039.db2.gz XNPMVJQGUZPPLA-UHFFFAOYSA-N 1 0 313.323 3.085 20 10 DGCDRO C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273490346 296114739 /nfs/dbraw/zinc/11/47/39/296114739.db2.gz OBXFXWPJEMLHCM-GFCCVEGCSA-N 1 0 321.421 3.214 20 10 DGCDRO Cc1cccnc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000093193165 193213179 /nfs/dbraw/zinc/21/31/79/193213179.db2.gz OEFXRBODIFSOPD-KRWDZBQOSA-N 1 0 312.413 3.277 20 10 DGCDRO COCc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)o1 ZINC000268768039 432129887 /nfs/dbraw/zinc/12/98/87/432129887.db2.gz CTYUYAWQULPINJ-UHFFFAOYSA-N 1 0 300.402 3.098 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccco1 ZINC000268819609 432141476 /nfs/dbraw/zinc/14/14/76/432141476.db2.gz HACDJWSXUPOXIC-CYBMUJFWSA-N 1 0 318.392 3.231 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2)c1O ZINC000040477128 183075257 /nfs/dbraw/zinc/07/52/57/183075257.db2.gz HBURTVNNXVUFRL-UHFFFAOYSA-N 1 0 317.385 3.098 20 10 DGCDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000297401193 533622742 /nfs/dbraw/zinc/62/27/42/533622742.db2.gz SMNNYAPLLKLNTC-GHMZBOCLSA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271512905 129926976 /nfs/dbraw/zinc/92/69/76/129926976.db2.gz NILWQJZOCOHSLV-KBXCAEBGSA-N 1 0 316.420 3.146 20 10 DGCDRO CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000271585207 129937914 /nfs/dbraw/zinc/93/79/14/129937914.db2.gz XLBRLIFFENRVPS-UONOGXRCSA-N 1 0 304.356 3.107 20 10 DGCDRO CCOCc1cc(C[NH2+]CC2([C@@H](O)C(C)C)CC2)ccc1OC ZINC000272107438 130000028 /nfs/dbraw/zinc/00/00/28/130000028.db2.gz WYZDLMKFEALJTH-SFHVURJKSA-N 1 0 321.461 3.118 20 10 DGCDRO COCC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C)o1 ZINC000272210935 130006729 /nfs/dbraw/zinc/00/67/29/130006729.db2.gz CJRJVTDJHFDGOL-MRXNPFEDSA-N 1 0 301.386 3.390 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c1 ZINC000273297312 130103919 /nfs/dbraw/zinc/10/39/19/130103919.db2.gz AKABCRSSKRIWLK-WBMJQRKESA-N 1 0 320.458 3.416 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c(O)c1C ZINC000273411165 130118583 /nfs/dbraw/zinc/11/85/83/130118583.db2.gz PRAAEHSBJFXYMW-HOTGVXAUSA-N 1 0 307.434 3.245 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ncccc2F)c(O)c1C ZINC000273528076 130132176 /nfs/dbraw/zinc/13/21/76/130132176.db2.gz VREHLHGGPTXYCK-CYBMUJFWSA-N 1 0 304.365 3.273 20 10 DGCDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273546721 130135268 /nfs/dbraw/zinc/13/52/68/130135268.db2.gz ZNBIJEBFZBRNFC-MNOVXSKESA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(Br)cc1O ZINC000273563782 130137089 /nfs/dbraw/zinc/13/70/89/130137089.db2.gz IUCJTWOJHGFIKU-VHSXEESVSA-N 1 0 324.222 3.300 20 10 DGCDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273622717 130146996 /nfs/dbraw/zinc/14/69/96/130146996.db2.gz ZLXWWHWYYUSELM-HZMBPMFUSA-N 1 0 316.239 3.356 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000274507248 130241645 /nfs/dbraw/zinc/24/16/45/130241645.db2.gz UANMSJGMFVQYJJ-UHFFFAOYSA-N 1 0 313.850 3.144 20 10 DGCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000275073108 130289996 /nfs/dbraw/zinc/28/99/96/130289996.db2.gz XTNLXJFAUIPQNU-UHFFFAOYSA-N 1 0 306.356 3.329 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCOC2)c1O ZINC000275272369 130300579 /nfs/dbraw/zinc/30/05/79/130300579.db2.gz CFYLEILCWKQULO-GHMZBOCLSA-N 1 0 314.223 3.150 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C(C)C)c1O ZINC000275368107 130307416 /nfs/dbraw/zinc/30/74/16/130307416.db2.gz UZQXQBGZTLBYDF-GXFFZTMASA-N 1 0 316.239 3.131 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c1O ZINC000275387124 130312873 /nfs/dbraw/zinc/31/28/73/130312873.db2.gz YJDYPGVQLWNVIF-GHMZBOCLSA-N 1 0 315.255 3.064 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)cc1 ZINC000280907974 130825942 /nfs/dbraw/zinc/82/59/42/130825942.db2.gz CTUYIMVSFZOBPN-SPLOXXLWSA-N 1 0 308.491 3.095 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000283898018 131032645 /nfs/dbraw/zinc/03/26/45/131032645.db2.gz KLDSNWPZABOANB-UHFFFAOYSA-N 1 0 322.412 3.063 20 10 DGCDRO C[C@H]([NH2+]CCC1(O)CCC1)c1cc(Br)ccc1O ZINC000284226673 131061512 /nfs/dbraw/zinc/06/15/12/131061512.db2.gz DCWCIEOZWCTJHM-JTQLQIEISA-N 1 0 314.223 3.110 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1 ZINC000284770480 131110006 /nfs/dbraw/zinc/11/00/06/131110006.db2.gz PQGXOTRZHPPKBZ-YJBOKZPZSA-N 1 0 315.417 3.098 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c(O)c1 ZINC000284972330 131127400 /nfs/dbraw/zinc/12/74/00/131127400.db2.gz FVHYROQYVRECDL-HOTGVXAUSA-N 1 0 311.429 3.334 20 10 DGCDRO OC[C@@]1(F)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000289379521 131381023 /nfs/dbraw/zinc/38/10/23/131381023.db2.gz BRHKQNUOSUMIES-LJQANCHMSA-N 1 0 315.388 3.356 20 10 DGCDRO COc1cccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c1O ZINC000289431289 131385428 /nfs/dbraw/zinc/38/54/28/131385428.db2.gz KSQBAICHYWFMKX-CYBMUJFWSA-N 1 0 308.381 3.139 20 10 DGCDRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297794780 132034470 /nfs/dbraw/zinc/03/44/70/132034470.db2.gz QBWDNFVCKAGABT-DZGCQCFKSA-N 1 0 313.397 3.445 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000298720578 132074867 /nfs/dbraw/zinc/07/48/67/132074867.db2.gz OKUDKEFWRWVMGD-UHFFFAOYSA-N 1 0 323.440 3.016 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC000120566376 132148661 /nfs/dbraw/zinc/14/86/61/132148661.db2.gz GVEBIOXJEZMEKD-CQSZACIVSA-N 1 0 308.429 3.490 20 10 DGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccco3)cc2F)C[C@@H](C)O1 ZINC000069751729 400341786 /nfs/dbraw/zinc/34/17/86/400341786.db2.gz ZPHQINLGFLRWQS-ZIAGYGMSSA-N 1 0 318.392 3.322 20 10 DGCDRO Oc1ccccc1C[N@H+](CCC(F)(F)F)C[C@@H]1CCCO1 ZINC000072952798 400419211 /nfs/dbraw/zinc/41/92/11/400419211.db2.gz OETDRDFRELJCQN-ZDUSSCGKSA-N 1 0 303.324 3.326 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccco2)C2CCN(C)CC2)c1 ZINC000290567070 292164583 /nfs/dbraw/zinc/16/45/83/292164583.db2.gz STWPYXJTQAXQEB-UHFFFAOYSA-N 1 0 314.429 3.390 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686627 292165876 /nfs/dbraw/zinc/16/58/76/292165876.db2.gz LDKLFHWNESRZHN-KGLIPLIRSA-N 1 0 315.392 3.164 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000136691061 227050706 /nfs/dbraw/zinc/05/07/06/227050706.db2.gz IFJHXBBWCLWVJX-OAHLLOKOSA-N 1 0 305.418 3.372 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O ZINC000176986352 228322839 /nfs/dbraw/zinc/32/28/39/228322839.db2.gz FFTSEUPHQPVDBH-LLVKDONJSA-N 1 0 304.321 3.333 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1C ZINC000151397841 432244716 /nfs/dbraw/zinc/24/47/16/432244716.db2.gz HJFMBJUXUZZOBA-WBVHZDCISA-N 1 0 307.459 3.153 20 10 DGCDRO CCOC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000364829850 276332622 /nfs/dbraw/zinc/33/26/22/276332622.db2.gz MSUZZYNKBJKVJB-IBGZPJMESA-N 1 0 320.477 3.315 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000271046490 276374979 /nfs/dbraw/zinc/37/49/79/276374979.db2.gz QVHKEHSDFGRCEQ-IBGZPJMESA-N 1 0 313.397 3.364 20 10 DGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)CCO2 ZINC000274230795 277982723 /nfs/dbraw/zinc/98/27/23/277982723.db2.gz FCDWXTAVKXBJLX-SFHVURJKSA-N 1 0 312.413 3.375 20 10 DGCDRO C[C@@H](CC[NH2+][C@@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C ZINC000297126994 278233914 /nfs/dbraw/zinc/23/39/14/278233914.db2.gz YUWSGZFQOUBFCK-GXTWGEPZSA-N 1 0 320.433 3.272 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC000271640816 278352335 /nfs/dbraw/zinc/35/23/35/278352335.db2.gz DSYRLFOIGJJJOC-RHSMWYFYSA-N 1 0 304.434 3.089 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc2ccccc2c1O ZINC000193918256 278363011 /nfs/dbraw/zinc/36/30/11/278363011.db2.gz QTZYUANMHPZPBF-UONOGXRCSA-N 1 0 312.413 3.207 20 10 DGCDRO Cc1noc(C)c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070975948 431266918 /nfs/dbraw/zinc/26/69/18/431266918.db2.gz VHFHHIVDCDEVJA-MRXNPFEDSA-N 1 0 316.401 3.178 20 10 DGCDRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297671382 280414902 /nfs/dbraw/zinc/41/49/02/280414902.db2.gz LAFNGMONCPICRZ-MAUKXSAKSA-N 1 0 322.408 3.054 20 10 DGCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc(Cl)ccc1O ZINC000093863971 431918904 /nfs/dbraw/zinc/91/89/04/431918904.db2.gz GZTPESCRXRKYMU-CQSZACIVSA-N 1 0 305.809 3.289 20 10 DGCDRO CN(C)c1ccc(CN2CCCC[C@H]2c2ncc[nH]2)cc1F ZINC000125274701 431919330 /nfs/dbraw/zinc/91/93/30/431919330.db2.gz UVRYPFZWZFETTR-INIZCTEOSA-N 1 0 302.397 3.342 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000090851801 431896676 /nfs/dbraw/zinc/89/66/76/431896676.db2.gz MOFJQYBCDJTIEM-SFHVURJKSA-N 1 0 312.461 3.455 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(Cl)nc2)c1O ZINC000125730448 431934423 /nfs/dbraw/zinc/93/44/23/431934423.db2.gz FZUGFHZSVDOTNH-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO Cc1cccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000183381155 432287981 /nfs/dbraw/zinc/28/79/81/432287981.db2.gz RQPHAEZRQQGDLV-OAHLLOKOSA-N 1 0 322.412 3.474 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccccc1O ZINC000183415418 432292126 /nfs/dbraw/zinc/29/21/26/432292126.db2.gz OFQZGUWRGVNBGI-HNNXBMFYSA-N 1 0 324.424 3.365 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1O ZINC000183430577 432293433 /nfs/dbraw/zinc/29/34/33/432293433.db2.gz ATTLWNYSDQCEIJ-OAHLLOKOSA-N 1 0 311.429 3.102 20 10 DGCDRO CCOC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000183463908 432296171 /nfs/dbraw/zinc/29/61/71/432296171.db2.gz VQQBMHGGLCFKMP-UHFFFAOYSA-N 1 0 311.809 3.129 20 10 DGCDRO CCn1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000271074895 432326361 /nfs/dbraw/zinc/32/63/61/432326361.db2.gz NYGSEEFZSWHGBD-UHFFFAOYSA-N 1 0 300.450 3.380 20 10 DGCDRO C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccccc1O ZINC000183601248 432308386 /nfs/dbraw/zinc/30/83/86/432308386.db2.gz CGJXPUAFHCVPPB-OAHLLOKOSA-N 1 0 324.424 3.365 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000271440194 432395118 /nfs/dbraw/zinc/39/51/18/432395118.db2.gz RRJKIRJDOURHAF-DZGCQCFKSA-N 1 0 320.433 3.127 20 10 DGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000271461863 432400326 /nfs/dbraw/zinc/40/03/26/432400326.db2.gz JXFYGUGXIGMMHU-MNOVXSKESA-N 1 0 314.223 3.059 20 10 DGCDRO COCCCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185037513 432459186 /nfs/dbraw/zinc/45/91/86/432459186.db2.gz IGMLJOYUINDWBS-SNVBAGLBSA-N 1 0 302.212 3.232 20 10 DGCDRO CNC(=O)CC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000272093663 432444100 /nfs/dbraw/zinc/44/41/00/432444100.db2.gz YLUFUWXVFINDCW-HNNXBMFYSA-N 1 0 312.413 3.092 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1O ZINC000184961248 432449269 /nfs/dbraw/zinc/44/92/69/432449269.db2.gz ZZGJNJAJRKYPBN-KRWDZBQOSA-N 1 0 305.805 3.351 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(F)ccc1O ZINC000184984484 432452928 /nfs/dbraw/zinc/45/29/28/432452928.db2.gz CZVNAEGJMWDARV-CYBMUJFWSA-N 1 0 315.392 3.377 20 10 DGCDRO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1cc(F)ccc1O ZINC000185027241 432457509 /nfs/dbraw/zinc/45/75/09/432457509.db2.gz YMSBKQLRJFADDE-SNVBAGLBSA-N 1 0 308.319 3.066 20 10 DGCDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000271534978 432417251 /nfs/dbraw/zinc/41/72/51/432417251.db2.gz SLKVFRGTBFXOKU-MCFFVMPBSA-N 1 0 322.518 3.485 20 10 DGCDRO CCC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271881339 432426445 /nfs/dbraw/zinc/42/64/45/432426445.db2.gz VCMIBZOWTZOLPB-KBAYOESNSA-N 1 0 319.445 3.426 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c(O)c1 ZINC000185215229 432477480 /nfs/dbraw/zinc/47/74/80/432477480.db2.gz ORSLEAPZXNLEEM-OAHLLOKOSA-N 1 0 318.461 3.388 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000185206479 432477652 /nfs/dbraw/zinc/47/76/52/432477652.db2.gz NBPPNTJKIWOKNP-ZACQAIPSSA-N 1 0 320.477 3.241 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000185214938 432478001 /nfs/dbraw/zinc/47/80/01/432478001.db2.gz MJMNTUFRVWTSCR-OAHLLOKOSA-N 1 0 318.461 3.388 20 10 DGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185350913 432494246 /nfs/dbraw/zinc/49/42/46/432494246.db2.gz IZRGUDQPFFKTHI-JTQLQIEISA-N 1 0 320.320 3.299 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000185442644 432500724 /nfs/dbraw/zinc/50/07/24/432500724.db2.gz YSYQAWHYVZFTNH-KGLIPLIRSA-N 1 0 320.433 3.361 20 10 DGCDRO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000185474726 432503934 /nfs/dbraw/zinc/50/39/34/432503934.db2.gz HZMNNZPUTYDUSD-APBUJDDRSA-N 1 0 303.855 3.243 20 10 DGCDRO C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185521886 432506763 /nfs/dbraw/zinc/50/67/63/432506763.db2.gz FUYKSCBYQHIVRO-MXWKQRLJSA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Cl)ccc1O ZINC000185061823 432462640 /nfs/dbraw/zinc/46/26/40/432462640.db2.gz SLSKJQIGPAGGEL-GFCCVEGCSA-N 1 0 310.825 3.099 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1C ZINC000185094736 432465664 /nfs/dbraw/zinc/46/56/64/432465664.db2.gz QOHCXAXBPOOCQP-UHFFFAOYSA-N 1 0 315.335 3.352 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C1CC1 ZINC000186153332 432563906 /nfs/dbraw/zinc/56/39/06/432563906.db2.gz FGDLGOBYRIOJIX-NOZJJQNGSA-N 1 0 314.223 3.230 20 10 DGCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000185657822 432519669 /nfs/dbraw/zinc/51/96/69/432519669.db2.gz FJASGGPQGYOTMG-ZYKFEASCSA-N 1 0 309.475 3.431 20 10 DGCDRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185825859 432536361 /nfs/dbraw/zinc/53/63/61/432536361.db2.gz VDUHAFWMOPUZTL-KDOFPFPSSA-N 1 0 315.413 3.484 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000273463323 432602540 /nfs/dbraw/zinc/60/25/40/432602540.db2.gz INCQBXMISURDSZ-SCVCMEIPSA-N 1 0 314.223 3.373 20 10 DGCDRO Cc1noc(CCC[NH2+]Cc2cc(-c3ccccc3)ccc2O)n1 ZINC000264373672 432640516 /nfs/dbraw/zinc/64/05/16/432640516.db2.gz MNOGHNMPJATMMF-UHFFFAOYSA-N 1 0 323.396 3.473 20 10 DGCDRO CC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187308757 432658053 /nfs/dbraw/zinc/65/80/53/432658053.db2.gz PKLIZWJANLRICO-ZYHUDNBSSA-N 1 0 316.239 3.275 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000187504847 432667843 /nfs/dbraw/zinc/66/78/43/432667843.db2.gz QEVGZYYWPWMBBN-UHFFFAOYSA-N 1 0 315.413 3.308 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227686809 432714257 /nfs/dbraw/zinc/71/42/57/432714257.db2.gz JZIKRHSPFKMVSO-OLZOCXBDSA-N 1 0 308.422 3.264 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cc1OC ZINC000187679543 432676514 /nfs/dbraw/zinc/67/65/14/432676514.db2.gz XEKDZUYPUSPJIM-GOEBONIOSA-N 1 0 323.433 3.093 20 10 DGCDRO COc1cccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1O ZINC000276643092 432822944 /nfs/dbraw/zinc/82/29/44/432822944.db2.gz RAUSKFWVBQFDKH-OAHLLOKOSA-N 1 0 305.418 3.372 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](COCC)C(C)C)ccc1OC ZINC000276680514 432824284 /nfs/dbraw/zinc/82/42/84/432824284.db2.gz LMEYRWHIRYIQHW-QGZVFWFLSA-N 1 0 309.450 3.382 20 10 DGCDRO CCOCc1cc(C[NH2+]CCC(O)(CC)CC)ccc1OC ZINC000276242201 432788251 /nfs/dbraw/zinc/78/82/51/432788251.db2.gz PPIUDJFPEFOKOZ-UHFFFAOYSA-N 1 0 309.450 3.263 20 10 DGCDRO Cc1noc(C[C@@H]([NH2+]Cc2cc(C)ccc2O)c2ccccc2)n1 ZINC000277756636 432874657 /nfs/dbraw/zinc/87/46/57/432874657.db2.gz WTQDQCXYHDNKNO-QGZVFWFLSA-N 1 0 323.396 3.466 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CCC1 ZINC000277374974 432844021 /nfs/dbraw/zinc/84/40/21/432844021.db2.gz XGSKFJIGPCTQIE-LLVKDONJSA-N 1 0 310.825 3.003 20 10 DGCDRO CC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C ZINC000296571281 432923208 /nfs/dbraw/zinc/92/32/08/432923208.db2.gz SWXIDACTFLHHCO-KBPBESRZSA-N 1 0 320.433 3.272 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296353147 432898768 /nfs/dbraw/zinc/89/87/68/432898768.db2.gz IKVLGHKHPZECKN-CABCVRRESA-N 1 0 318.461 3.375 20 10 DGCDRO C[C@@H](CO)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296377256 432901980 /nfs/dbraw/zinc/90/19/80/432901980.db2.gz KFCYYAWHDUHFHN-CQSZACIVSA-N 1 0 304.459 3.103 20 10 DGCDRO CC(C)c1nnc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000296504541 432916410 /nfs/dbraw/zinc/91/64/10/432916410.db2.gz PGALWERHDAKWNA-GFCCVEGCSA-N 1 0 314.433 3.363 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)C(C)C ZINC000296538094 432920348 /nfs/dbraw/zinc/92/03/48/432920348.db2.gz QWFSSASGDMZKRG-ZBFHGGJFSA-N 1 0 306.450 3.163 20 10 DGCDRO COc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000289915121 432978168 /nfs/dbraw/zinc/97/81/68/432978168.db2.gz VHVRPNVRUQAKPW-WFASDCNBSA-N 1 0 324.852 3.113 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2cn[nH]c2)c1O ZINC000290011501 432982278 /nfs/dbraw/zinc/98/22/78/432982278.db2.gz ZUUBAZJECBHURG-SNVBAGLBSA-N 1 0 324.222 3.080 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)cc1OC ZINC000290185644 433009462 /nfs/dbraw/zinc/00/94/62/433009462.db2.gz ODYIWZRXDVANIR-ZMZPIMSZSA-N 1 0 315.369 3.021 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCOCC2)c(C(F)(F)F)c1 ZINC000280207919 433015231 /nfs/dbraw/zinc/01/52/31/433015231.db2.gz IAZVZKRWQFPXAN-CYBMUJFWSA-N 1 0 316.367 3.430 20 10 DGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cccc(C)c1O ZINC000290389020 433043098 /nfs/dbraw/zinc/04/30/98/433043098.db2.gz IQZZDEBTISTSMK-UHFFFAOYSA-N 1 0 301.434 3.372 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2(C)CCOCC2)c(C(F)(F)F)c1 ZINC000280379468 433043470 /nfs/dbraw/zinc/04/34/70/433043470.db2.gz UBZWWUUFQYNZQK-UHFFFAOYSA-N 1 0 316.367 3.430 20 10 DGCDRO CCCOc1ccc(C[N@H+](C)C2CCC(CO)CC2)c(O)c1 ZINC000290421536 433050684 /nfs/dbraw/zinc/05/06/84/433050684.db2.gz KSZBXYPTJPSNNS-UHFFFAOYSA-N 1 0 307.434 3.164 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000361440761 433172942 /nfs/dbraw/zinc/17/29/42/433172942.db2.gz QDBBROHGDMNGJR-UHFFFAOYSA-N 1 0 321.415 3.306 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCCC(F)(F)C1)OCO2 ZINC000291669246 433305135 /nfs/dbraw/zinc/30/51/35/433305135.db2.gz GCOFHDZXGFPMAO-NSHDSACASA-N 1 0 313.344 3.426 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1O ZINC000291765086 433341588 /nfs/dbraw/zinc/34/15/88/433341588.db2.gz SASOBJFOAYFEKM-APPDUMDISA-N 1 0 319.426 3.254 20 10 DGCDRO C[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296653908 290266882 /nfs/dbraw/zinc/26/68/82/290266882.db2.gz ZDGRODORQQOAHB-KGLIPLIRSA-N 1 0 304.434 3.067 20 10 DGCDRO C[S@@](=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000282188344 433523594 /nfs/dbraw/zinc/52/35/94/433523594.db2.gz BUNVIJJERHBYGF-JOCHJYFZSA-N 1 0 315.438 3.060 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1C ZINC000282318707 433565151 /nfs/dbraw/zinc/56/51/51/433565151.db2.gz KWYTZXJKJMHDMO-HXUWFJFHSA-N 1 0 311.425 3.323 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1O ZINC000292572965 433581003 /nfs/dbraw/zinc/58/10/03/433581003.db2.gz BVZUZFXFXXQTOG-HNNXBMFYSA-N 1 0 323.820 3.128 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1O ZINC000292750965 433592083 /nfs/dbraw/zinc/59/20/83/433592083.db2.gz IKOPTEUGFQNMLM-QGZVFWFLSA-N 1 0 307.434 3.068 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCC23CCC3)ccc1N1CCOCC1 ZINC000282427411 433606963 /nfs/dbraw/zinc/60/69/63/433606963.db2.gz YVQCRAXJHYYRTG-QGZVFWFLSA-N 1 0 304.409 3.085 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000293272394 433678326 /nfs/dbraw/zinc/67/83/26/433678326.db2.gz CLLOBTSVIWPFIG-ZIAGYGMSSA-N 1 0 300.377 3.461 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1F ZINC000293678935 433823870 /nfs/dbraw/zinc/82/38/70/433823870.db2.gz POSUEFVKKAETSJ-GOSISDBHSA-N 1 0 318.436 3.283 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000293537350 433773636 /nfs/dbraw/zinc/77/36/36/433773636.db2.gz CKMQGQBHOQNYJT-GOSISDBHSA-N 1 0 300.446 3.144 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000293700196 433835723 /nfs/dbraw/zinc/83/57/23/433835723.db2.gz LZBRVRQGFTYYSA-HOCLYGCPSA-N 1 0 306.450 3.294 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c(O)c1 ZINC000293829387 433887434 /nfs/dbraw/zinc/88/74/34/433887434.db2.gz SIWBIUDTWAYUII-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c(OC)n1 ZINC000294352873 434096748 /nfs/dbraw/zinc/09/67/48/434096748.db2.gz PZBBWTZBPUMFFC-CYBMUJFWSA-N 1 0 316.401 3.272 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c(O)c1 ZINC000294706785 434128536 /nfs/dbraw/zinc/12/85/36/434128536.db2.gz BPCUMXRXILONCX-QGZVFWFLSA-N 1 0 307.434 3.428 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCc2cscn2)C2CC2)cc1 ZINC000294782360 434140831 /nfs/dbraw/zinc/14/08/31/434140831.db2.gz APRBJWVPGBRBOG-UHFFFAOYSA-N 1 0 301.459 3.416 20 10 DGCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000294887907 434150243 /nfs/dbraw/zinc/15/02/43/434150243.db2.gz WDUBDKOLWZFUHU-HOCLYGCPSA-N 1 0 318.461 3.457 20 10 DGCDRO CCn1cc([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)cn1 ZINC000294966052 434155561 /nfs/dbraw/zinc/15/55/61/434155561.db2.gz XATCXKGQKWNOLI-JTQLQIEISA-N 1 0 309.797 3.121 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](CC)COCC(F)(F)F)c1O ZINC000295099205 434200216 /nfs/dbraw/zinc/20/02/16/434200216.db2.gz KGEKUOSKSFGRDQ-GFCCVEGCSA-N 1 0 321.339 3.238 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)cc1 ZINC000359903725 434453608 /nfs/dbraw/zinc/45/36/08/434453608.db2.gz VJWILCOZRULWNK-LJQANCHMSA-N 1 0 318.461 3.213 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000296140452 434521620 /nfs/dbraw/zinc/52/16/20/434521620.db2.gz VDSVMZVOBCEDAG-SFHVURJKSA-N 1 0 316.470 3.245 20 10 DGCDRO CCn1cc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cn1 ZINC000296159550 434527286 /nfs/dbraw/zinc/52/72/86/434527286.db2.gz SRZQVCGGZZXHAU-JTQLQIEISA-N 1 0 321.808 3.315 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000278427068 295168506 /nfs/dbraw/zinc/16/85/06/295168506.db2.gz JCIJOCOGBKZMFX-ZFWWWQNUSA-N 1 0 304.434 3.068 20 10 DGCDRO Oc1ccccc1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000369667131 434599345 /nfs/dbraw/zinc/59/93/45/434599345.db2.gz YOFWRRATGDFKMD-UHFFFAOYSA-N 1 0 315.388 3.101 20 10 DGCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372433484 434827576 /nfs/dbraw/zinc/82/75/76/434827576.db2.gz JFYJZFNIIRALJH-GFCCVEGCSA-N 1 0 305.809 3.159 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1O ZINC000293720666 335112480 /nfs/dbraw/zinc/11/24/80/335112480.db2.gz TXCGYTMYFWKFCX-INIZCTEOSA-N 1 0 313.825 3.085 20 10 DGCDRO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293808381 335117486 /nfs/dbraw/zinc/11/74/86/335117486.db2.gz VMOKPVFFCBZWJM-CQSZACIVSA-N 1 0 321.421 3.217 20 10 DGCDRO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000185703122 333212410 /nfs/dbraw/zinc/21/24/10/333212410.db2.gz MJHFCGORYGVFIK-HOCLYGCPSA-N 1 0 315.413 3.392 20 10 DGCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(F)c(F)c1[O-] ZINC000187732086 333236790 /nfs/dbraw/zinc/23/67/90/333236790.db2.gz PCCUHWDRGKKCFL-VFZGTOFNSA-N 1 0 313.369 3.290 20 10 DGCDRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2O)C1 ZINC000223456790 333405948 /nfs/dbraw/zinc/40/59/48/333405948.db2.gz HSCMIXJKRJNURU-AWEZNQCLSA-N 1 0 320.433 3.129 20 10 DGCDRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2O)C1 ZINC000223456734 333406092 /nfs/dbraw/zinc/40/60/92/333406092.db2.gz HSCMIXJKRJNURU-CQSZACIVSA-N 1 0 320.433 3.129 20 10 DGCDRO COc1ccc([C@@H](CCO)[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296865831 335147049 /nfs/dbraw/zinc/14/70/49/335147049.db2.gz NTEGVVCYVKQPAQ-IAGOWNOFSA-N 1 0 313.397 3.101 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000360039885 337084078 /nfs/dbraw/zinc/08/40/78/337084078.db2.gz ZNXGKPKSHDSFOD-UAGQMJEPSA-N 1 0 305.418 3.084 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c1 ZINC000289760998 500975985 /nfs/dbraw/zinc/97/59/85/500975985.db2.gz JAAFNCFCOAPVMR-UHFFFAOYSA-N 1 0 311.429 3.294 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000184695849 533953201 /nfs/dbraw/zinc/95/32/01/533953201.db2.gz RYDHCBMZDNAAAC-RISCZKNCSA-N 1 0 311.809 3.055 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c(O)c1 ZINC000131926011 520347539 /nfs/dbraw/zinc/34/75/39/520347539.db2.gz GOWKKAGBIULUFB-QGZVFWFLSA-N 1 0 315.417 3.252 20 10 DGCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179938309 520664656 /nfs/dbraw/zinc/66/46/56/520664656.db2.gz MZJLKAXHTZRSFD-WBVHZDCISA-N 1 0 318.461 3.217 20 10 DGCDRO CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000159472254 521371410 /nfs/dbraw/zinc/37/14/10/521371410.db2.gz NVGSUORZRZJHTO-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCC34CCOCC4)ccc21 ZINC000368514283 523862759 /nfs/dbraw/zinc/86/27/59/523862759.db2.gz MLRFZUNDVMEPQJ-GOSISDBHSA-N 1 0 300.446 3.118 20 10 DGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000191641027 523899276 /nfs/dbraw/zinc/89/92/76/523899276.db2.gz OTKRFVYHYHAMON-IVZWLZJFSA-N 1 0 302.212 3.229 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCc3ccccc3)CC2)cc1 ZINC000153036530 524403181 /nfs/dbraw/zinc/40/31/81/524403181.db2.gz PWKAHPYPQKGXCT-UHFFFAOYSA-N 1 0 310.441 3.496 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000181376666 524752189 /nfs/dbraw/zinc/75/21/89/524752189.db2.gz GHTRNCNYUWYFMR-INIZCTEOSA-N 1 0 319.401 3.497 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000182410359 524770759 /nfs/dbraw/zinc/77/07/59/524770759.db2.gz YQIGUIKVXOLDKE-APPDUMDISA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)c1 ZINC000182462395 524772427 /nfs/dbraw/zinc/77/24/27/524772427.db2.gz BWUISWTVEQKKPI-ZDUSSCGKSA-N 1 0 311.385 3.208 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000134787559 524774586 /nfs/dbraw/zinc/77/45/86/524774586.db2.gz PBZSVVNTXDSMDX-BHADISHBSA-N 1 0 303.402 3.009 20 10 DGCDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273598730 534841933 /nfs/dbraw/zinc/84/19/33/534841933.db2.gz RMTLYTGIJPSWSB-JEYLPNPQSA-N 1 0 304.434 3.107 20 10 DGCDRO C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(N2CCCCC2)cc1 ZINC000179570849 525316994 /nfs/dbraw/zinc/31/69/94/525316994.db2.gz BJSJLCQKZVXPAH-HNNXBMFYSA-N 1 0 304.434 3.091 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000186189647 525360518 /nfs/dbraw/zinc/36/05/18/525360518.db2.gz VCUVUZQKDDLAOO-FZKQIMNGSA-N 1 0 303.377 3.398 20 10 DGCDRO C[C@@H]([NH2+]C1CCSCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180513301 525404066 /nfs/dbraw/zinc/40/40/66/525404066.db2.gz ZHXITANKOJKDLQ-CYBMUJFWSA-N 1 0 324.465 3.209 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000268864332 525493566 /nfs/dbraw/zinc/49/35/66/525493566.db2.gz SZEMEHCQXDLYGB-DOMZBBRYSA-N 1 0 316.367 3.251 20 10 DGCDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1ccccc1 ZINC000262660591 526260556 /nfs/dbraw/zinc/26/05/56/526260556.db2.gz YWJXLBTYULGJBN-SJORKVTESA-N 1 0 323.440 3.061 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000129218009 526363646 /nfs/dbraw/zinc/36/36/46/526363646.db2.gz KMCIJSFRJILOGK-AWEZNQCLSA-N 1 0 308.853 3.496 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000128494375 526366031 /nfs/dbraw/zinc/36/60/31/526366031.db2.gz NZDGOADGEJOQTL-UHFFFAOYSA-N 1 0 319.788 3.497 20 10 DGCDRO CC(=O)NC1CCC([NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC000355124600 526701324 /nfs/dbraw/zinc/70/13/24/526701324.db2.gz ONMYAHBFJXEPRX-UHFFFAOYSA-N 1 0 313.445 3.024 20 10 DGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000289181685 536527511 /nfs/dbraw/zinc/52/75/11/536527511.db2.gz AORHUJSYNMAYDZ-ZDUSSCGKSA-N 1 0 301.386 3.130 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000178715966 529154527 /nfs/dbraw/zinc/15/45/27/529154527.db2.gz HRNFUIKKDUHLIW-YOEHRIQHSA-N 1 0 305.466 3.098 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)cc1 ZINC000289297616 535686171 /nfs/dbraw/zinc/68/61/71/535686171.db2.gz QKGHAPQNYAYBHE-CYBMUJFWSA-N 1 0 319.474 3.332 20 10 DGCDRO CC[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccccc1O ZINC000274954503 535897334 /nfs/dbraw/zinc/89/73/34/535897334.db2.gz VOFISAUIZNNCEW-KRWDZBQOSA-N 1 0 318.461 3.078 20 10 DGCDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)OC ZINC000272699692 536629050 /nfs/dbraw/zinc/62/90/50/536629050.db2.gz RTMVZLNDPAEKRP-QFBILLFUSA-N 1 0 320.477 3.379 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000280130544 546379880 /nfs/dbraw/zinc/37/98/80/546379880.db2.gz DJCLYZXQZCRORX-LBPRGKRZSA-N 1 0 316.367 3.240 20 10 DGCDRO COc1ccc(C[NH2+]C[C@]2(O)CCCc3ccccc32)cc1C ZINC000731360889 574547873 /nfs/dbraw/zinc/54/78/73/574547873.db2.gz UFWBBKDSFMCSPZ-HXUWFJFHSA-N 1 0 311.425 3.317 20 10 DGCDRO Cc1cc(C)n(CC[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000731751856 574558313 /nfs/dbraw/zinc/55/83/13/574558313.db2.gz GKAXVWFAYMQOAB-UHFFFAOYSA-N 1 0 314.477 3.477 20 10 DGCDRO CC[NH+](CC)Cc1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000731866185 574560697 /nfs/dbraw/zinc/56/06/97/574560697.db2.gz SKQRTGIMKCQZCY-UHFFFAOYSA-N 1 0 318.442 3.226 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)[C@H](C)CC)ccc1OC ZINC000732820989 574583711 /nfs/dbraw/zinc/58/37/11/574583711.db2.gz RLTNMCKCTWINHT-RDTXWAMCSA-N 1 0 309.450 3.118 20 10 DGCDRO C[C@@H]1CCC[C@](C[NH2+]Cc2ccc(N(C)C)c(F)c2)(N(C)C)C1 ZINC000733325811 574615911 /nfs/dbraw/zinc/61/59/11/574615911.db2.gz YOMMPPHEWJDVPK-BEFAXECRSA-N 1 0 321.484 3.492 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1Cc2ccccc2C1 ZINC000733610046 574632300 /nfs/dbraw/zinc/63/23/00/574632300.db2.gz HBWKZJYRGVEQNZ-UHFFFAOYSA-N 1 0 322.452 3.122 20 10 DGCDRO CCCCCNC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613906 574632330 /nfs/dbraw/zinc/63/23/30/574632330.db2.gz PQEDRRZWSVDOLD-UHFFFAOYSA-N 1 0 318.461 3.443 20 10 DGCDRO c1ccc(C2([NH2+]Cc3ccc4c(c3)CCO4)CCOCC2)cc1 ZINC000733998006 574646258 /nfs/dbraw/zinc/64/62/58/574646258.db2.gz MXWVPVZYJRWRBC-UHFFFAOYSA-N 1 0 309.409 3.417 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1C(C)C ZINC000738148982 574860112 /nfs/dbraw/zinc/86/01/12/574860112.db2.gz NYKLOTZCOZEOPL-OAHLLOKOSA-N 1 0 319.445 3.409 20 10 DGCDRO CC(C)N1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000738438741 574869926 /nfs/dbraw/zinc/86/99/26/574869926.db2.gz BPLXDZDKXPGRAZ-GOSISDBHSA-N 1 0 324.424 3.158 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](CCO)c2ccccc2)c(O)c1 ZINC000740900504 574945641 /nfs/dbraw/zinc/94/56/41/574945641.db2.gz RPDWZLAXKIQZST-QGZVFWFLSA-N 1 0 301.386 3.004 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC(c3nc(C)no3)CC2)cc1 ZINC000741754880 574968845 /nfs/dbraw/zinc/96/88/45/574968845.db2.gz ZQUWKIGDTCFZLP-UHFFFAOYSA-N 1 0 314.433 3.214 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000742159139 574982824 /nfs/dbraw/zinc/98/28/24/574982824.db2.gz MZPAKWINJCJJRH-UHFFFAOYSA-N 1 0 312.413 3.333 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c(O)c1 ZINC000742376742 574994144 /nfs/dbraw/zinc/99/41/44/574994144.db2.gz FJLRSSBCZRIORU-UAGQMJEPSA-N 1 0 305.418 3.084 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1C ZINC000742367038 574992520 /nfs/dbraw/zinc/99/25/20/574992520.db2.gz GGHWUISANYWHHH-UHFFFAOYSA-N 1 0 318.461 3.136 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[NH2+]C(C)(C)C ZINC000743482332 575054019 /nfs/dbraw/zinc/05/40/19/575054019.db2.gz HNHOXSAUNCRPBM-UHFFFAOYSA-N 1 0 319.474 3.274 20 10 DGCDRO CC[N@H+](CCc1cccs1)Cc1cc2c(cc1O)OCO2 ZINC000746070211 575430231 /nfs/dbraw/zinc/43/02/31/575430231.db2.gz HUPPXVQXPNZYEU-UHFFFAOYSA-N 1 0 305.399 3.247 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c(O)c1 ZINC000749114592 575627625 /nfs/dbraw/zinc/62/76/25/575627625.db2.gz FTKZPNAQOYUZHN-KPZWWZAWSA-N 1 0 319.376 3.142 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](O)c1cccc(F)c1 ZINC000749116832 575628399 /nfs/dbraw/zinc/62/83/99/575628399.db2.gz MAEMWPQHFVDUOT-MGPLVRAMSA-N 1 0 309.768 3.396 20 10 DGCDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000749571741 575665811 /nfs/dbraw/zinc/66/58/11/575665811.db2.gz BQXPVVSQXLGAIX-GOSISDBHSA-N 1 0 317.477 3.023 20 10 DGCDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000749925516 575689390 /nfs/dbraw/zinc/68/93/90/575689390.db2.gz XFSKMNMZALBZCW-UOIKSKOESA-N 1 0 306.425 3.187 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000751942884 575813075 /nfs/dbraw/zinc/81/30/75/575813075.db2.gz ZZEISROXNPROOY-GFCCVEGCSA-N 1 0 301.386 3.238 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1O ZINC000752264442 575829358 /nfs/dbraw/zinc/82/93/58/575829358.db2.gz DLZPWGNGITXKRC-QUJCMNEKSA-N 1 0 313.397 3.444 20 10 DGCDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(N(CC)CC)c(F)c1 ZINC000740004893 576076839 /nfs/dbraw/zinc/07/68/39/576076839.db2.gz YNVUPHSDHUINFS-HNNXBMFYSA-N 1 0 309.473 3.492 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(C3CC3)cc2)cc1 ZINC000852792247 620649112 /nfs/dbraw/zinc/64/91/12/620649112.db2.gz TWCZUEDXCHSHKF-IBGZPJMESA-N 1 0 323.440 3.060 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)Cc2ccccc2)C2CC2)cc1 ZINC000917014219 620652309 /nfs/dbraw/zinc/65/23/09/620652309.db2.gz OVFJFYMCZIEPER-OAQYLSRUSA-N 1 0 324.468 3.321 20 10 DGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000852883567 620653815 /nfs/dbraw/zinc/65/38/15/620653815.db2.gz ZPKIFIXDNUUTCP-WBAXXEDZSA-N 1 0 324.424 3.219 20 10 DGCDRO CC(C)[C@H](C)NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075176 620654946 /nfs/dbraw/zinc/65/49/46/620654946.db2.gz RORJBGYYNDBATC-INIZCTEOSA-N 1 0 319.493 3.124 20 10 DGCDRO C[NH2+]C[C@H](C)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000852921826 620655565 /nfs/dbraw/zinc/65/55/65/620655565.db2.gz RTGIWSANDZQHKP-NSHDSACASA-N 1 0 319.836 3.085 20 10 DGCDRO C[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000154468067 620679289 /nfs/dbraw/zinc/67/92/89/620679289.db2.gz HRVRHNXMEICZLG-UHFFFAOYSA-N 1 0 314.404 3.294 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)O1 ZINC000111168337 620678796 /nfs/dbraw/zinc/67/87/96/620678796.db2.gz PXPXULYQJGJVKB-WFASDCNBSA-N 1 0 307.434 3.395 20 10 DGCDRO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1C ZINC000111236431 620685474 /nfs/dbraw/zinc/68/54/74/620685474.db2.gz IDUFYDSNSRDKFP-OAHLLOKOSA-N 1 0 312.413 3.468 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000918197491 620700584 /nfs/dbraw/zinc/70/05/84/620700584.db2.gz IBCGEMGQXXTYMB-INIZCTEOSA-N 1 0 303.789 3.098 20 10 DGCDRO CCC1(CC)CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000853563869 620710360 /nfs/dbraw/zinc/71/03/60/620710360.db2.gz ZSONQKDFJVHMSG-MRXNPFEDSA-N 1 0 305.418 3.220 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(O)cc1C ZINC000853572425 620710776 /nfs/dbraw/zinc/71/07/76/620710776.db2.gz SDCHRPUMBKFPTG-QAPCUYQASA-N 1 0 319.445 3.490 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853585923 620712974 /nfs/dbraw/zinc/71/29/74/620712974.db2.gz LJTKOXVMFMVIIE-DZGCQCFKSA-N 1 0 319.445 3.167 20 10 DGCDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806133191 617670374 /nfs/dbraw/zinc/67/03/74/617670374.db2.gz IVNMGARXLRTJGY-WMLDXEAASA-N 1 0 306.425 3.065 20 10 DGCDRO CCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC000891254286 617761238 /nfs/dbraw/zinc/76/12/38/617761238.db2.gz YDDFYPDQJUMFNP-QGZVFWFLSA-N 1 0 317.477 3.052 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2C)c(O)c1OC ZINC000891471318 617809586 /nfs/dbraw/zinc/80/95/86/617809586.db2.gz KSAHQDQSAZCGCB-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(O)c1OC ZINC000891629108 617856480 /nfs/dbraw/zinc/85/64/80/617856480.db2.gz AODJQMJYLMLBAF-OAHLLOKOSA-N 1 0 313.397 3.399 20 10 DGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2O)C1(C)C ZINC000892102052 617961793 /nfs/dbraw/zinc/96/17/93/617961793.db2.gz REYOSEVFFMAJKU-HUUCEWRRSA-N 1 0 323.433 3.045 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccccc2C)c(O)c1OC ZINC000892409951 618059307 /nfs/dbraw/zinc/05/93/07/618059307.db2.gz OEOBANKNWWPYAS-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccc(Cl)c2)c(O)c1OC ZINC000892451377 618069017 /nfs/dbraw/zinc/06/90/17/618069017.db2.gz SRWCVXNFSKSLBG-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)Cc2cccs2)c(O)c1OC ZINC000892521465 618097801 /nfs/dbraw/zinc/09/78/01/618097801.db2.gz VFXWSJUEEZJMKY-LLVKDONJSA-N 1 0 307.415 3.192 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c(O)c1OC ZINC000892621139 618120511 /nfs/dbraw/zinc/12/05/11/618120511.db2.gz HRWBNYROJWMISK-FZMZJTMJSA-N 1 0 317.385 3.416 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccsc2)c(O)c1OC ZINC000892660831 618129367 /nfs/dbraw/zinc/12/93/67/618129367.db2.gz WGOXYMFQJIWBRN-LLVKDONJSA-N 1 0 307.415 3.192 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000155176008 620780635 /nfs/dbraw/zinc/78/06/35/620780635.db2.gz VGSSXFLGYJXVOP-UHFFFAOYSA-N 1 0 300.450 3.405 20 10 DGCDRO CC[C@H](NCC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1O ZINC000854226255 620785902 /nfs/dbraw/zinc/78/59/02/620785902.db2.gz GMGBSEVKXQXUCL-IQYSWEBNSA-N 1 0 314.351 3.204 20 10 DGCDRO CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)c(Cl)c1[O-] ZINC000854226603 620785916 /nfs/dbraw/zinc/78/59/16/620785916.db2.gz IRGYEZJHQPZSRT-RHJSQNMRSA-N 1 0 315.244 3.492 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1C ZINC000920181741 620789278 /nfs/dbraw/zinc/78/92/78/620789278.db2.gz CPBGOWIONNDAIE-KRWDZBQOSA-N 1 0 317.404 3.084 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000840893818 618317630 /nfs/dbraw/zinc/31/76/30/618317630.db2.gz MGZIYRRWWVCJOB-LSDHHAIUSA-N 1 0 300.450 3.076 20 10 DGCDRO COc1ccc(C[NH2+]C(C)(C)c2c(C)noc2C)c(O)c1OC ZINC000894439634 618332859 /nfs/dbraw/zinc/33/28/59/618332859.db2.gz YKFPDRLIOPDZNY-UHFFFAOYSA-N 1 0 320.389 3.039 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2COc3ccccc3C2)c1O ZINC000894457818 618339334 /nfs/dbraw/zinc/33/93/34/618339334.db2.gz IIRGMXJEBVDMAV-CJNGLKHVSA-N 1 0 313.397 3.130 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@H]2COc3ccccc3C2)c1O ZINC000894457819 618339591 /nfs/dbraw/zinc/33/95/91/618339591.db2.gz IIRGMXJEBVDMAV-CZUORRHYSA-N 1 0 313.397 3.130 20 10 DGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)c1O ZINC000894458406 618339856 /nfs/dbraw/zinc/33/98/56/618339856.db2.gz QNZDGMQHNWTHQL-RDJZCZTQSA-N 1 0 319.445 3.476 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)c(O)c1OC ZINC000892920778 618350057 /nfs/dbraw/zinc/35/00/57/618350057.db2.gz KMOAMQFWMNMXQE-MRXNPFEDSA-N 1 0 313.397 3.495 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c(O)c1OC ZINC000892921477 618350512 /nfs/dbraw/zinc/35/05/12/618350512.db2.gz UAVMPNSUXWJGMC-OAHLLOKOSA-N 1 0 317.360 3.326 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](SC)C2)c(O)c1OC ZINC000892949703 618365170 /nfs/dbraw/zinc/36/51/70/618365170.db2.gz CANFCBCAKYTBBK-STQMWFEESA-N 1 0 311.447 3.173 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1O ZINC000894689784 618424281 /nfs/dbraw/zinc/42/42/81/618424281.db2.gz IQTKKHHNIORWIM-UHFFFAOYSA-N 1 0 315.417 3.120 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCc2cccnc21 ZINC000894755641 618447353 /nfs/dbraw/zinc/44/73/53/618447353.db2.gz VMXIFMHFEBEGBA-ZDUSSCGKSA-N 1 0 319.202 3.327 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000894783189 618456747 /nfs/dbraw/zinc/45/67/47/618456747.db2.gz QLUZFGINYBUTBT-HNNXBMFYSA-N 1 0 315.417 3.386 20 10 DGCDRO COc1ccc(C[NH2+]C2(C)Cc3ccccc3C2)c(O)c1OC ZINC000893222055 618480516 /nfs/dbraw/zinc/48/05/16/618480516.db2.gz PNNXKCNOPWDFMI-UHFFFAOYSA-N 1 0 313.397 3.057 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1O ZINC000894997949 618509202 /nfs/dbraw/zinc/50/92/02/618509202.db2.gz CVNIFCNIRRTTSQ-GOSISDBHSA-N 1 0 319.445 3.346 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC23CCSCC3)c1O ZINC000895029346 618516673 /nfs/dbraw/zinc/51/66/73/618516673.db2.gz DRQVSINGFDUIIV-CQSZACIVSA-N 1 0 307.459 3.332 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000840915923 618528824 /nfs/dbraw/zinc/52/88/24/618528824.db2.gz HRKITWBVLHNXCX-UHFFFAOYSA-N 1 0 302.462 3.452 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](CCO)c2ccccc2F)c1O ZINC000895086835 618534014 /nfs/dbraw/zinc/53/40/14/618534014.db2.gz WMKKCHFICGYRDT-MRXNPFEDSA-N 1 0 319.376 3.062 20 10 DGCDRO CN(C)c1ccc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895111397 618539924 /nfs/dbraw/zinc/53/99/24/618539924.db2.gz OPDKHQFKPQQNME-UAPYVXQJSA-N 1 0 324.472 3.424 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c(O)c1OC ZINC000895148699 618554071 /nfs/dbraw/zinc/55/40/71/618554071.db2.gz WZYUCTRIILBWDG-GJZGRUSLSA-N 1 0 317.788 3.204 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1O ZINC000895344908 618598917 /nfs/dbraw/zinc/59/89/17/618598917.db2.gz SLCDMMDXUYHRDH-BPQIPLTHSA-N 1 0 313.372 3.276 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000840933952 618609618 /nfs/dbraw/zinc/60/96/18/618609618.db2.gz LUVRNBCEAIDULV-QGZVFWFLSA-N 1 0 304.459 3.120 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000840941739 618614501 /nfs/dbraw/zinc/61/45/01/618614501.db2.gz KAOGNFJIDBTEQS-GOSISDBHSA-N 1 0 314.477 3.324 20 10 DGCDRO COc1ccc(O)c(CN([C@H](C)C(=O)OC(C)(C)C)C2CC2)c1 ZINC000840957271 618633891 /nfs/dbraw/zinc/63/38/91/618633891.db2.gz KPPZEJPJTFXHSP-GFCCVEGCSA-N 1 0 321.417 3.095 20 10 DGCDRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000893683378 618638042 /nfs/dbraw/zinc/63/80/42/618638042.db2.gz HHEXIWAMQYNGON-CQSZACIVSA-N 1 0 318.417 3.222 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c(O)c1OC ZINC000893684936 618638341 /nfs/dbraw/zinc/63/83/41/618638341.db2.gz IEVXLIBNQFRTAQ-ZBFHGGJFSA-N 1 0 323.433 3.093 20 10 DGCDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893994674 618688381 /nfs/dbraw/zinc/68/83/81/618688381.db2.gz CMQXRKHEEOCSGN-UHFFFAOYSA-N 1 0 323.368 3.320 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)ccc21 ZINC000924869819 618712545 /nfs/dbraw/zinc/71/25/45/618712545.db2.gz JDOGHXVXDVYPJS-QUCCMNQESA-N 1 0 314.473 3.364 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894183371 618725692 /nfs/dbraw/zinc/72/56/92/618725692.db2.gz PGFVWOFGNZCKFJ-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c1O ZINC000894259859 618743894 /nfs/dbraw/zinc/74/38/94/618743894.db2.gz ZNQZEEIJLZWSDR-SJCJKPOMSA-N 1 0 319.376 3.060 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)CCc2cccn2C)c1O ZINC000894266171 618745833 /nfs/dbraw/zinc/74/58/33/618745833.db2.gz QWCSQMUJTFMICU-CQSZACIVSA-N 1 0 302.418 3.159 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](OC)C2CCCCC2)c(O)c1OC ZINC000895454034 618785432 /nfs/dbraw/zinc/78/54/32/618785432.db2.gz UZRASIDOGFXSAX-MRXNPFEDSA-N 1 0 323.433 3.094 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c(O)c1OC ZINC000895449490 618786267 /nfs/dbraw/zinc/78/62/67/618786267.db2.gz QALJSQYSRQCNBU-CQSZACIVSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCSCCC(F)(F)F)c1O ZINC000895458756 618787102 /nfs/dbraw/zinc/78/71/02/618787102.db2.gz RKNAHMXCMYFBOO-UHFFFAOYSA-N 1 0 323.380 3.484 20 10 DGCDRO CCC([NH2+]Cc1ccc(OC)c(OC)c1O)(C1CC1)C1CC1 ZINC000895570176 618799943 /nfs/dbraw/zinc/79/99/43/618799943.db2.gz GCJRNGQZTXVJKS-UHFFFAOYSA-N 1 0 305.418 3.468 20 10 DGCDRO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000895577291 618801170 /nfs/dbraw/zinc/80/11/70/618801170.db2.gz IFMBMDHBZGMMRB-LBPRGKRZSA-N 1 0 309.715 3.199 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)c1 ZINC000895580925 618803568 /nfs/dbraw/zinc/80/35/68/618803568.db2.gz KTXLFLJHMFVEPM-UHFFFAOYSA-N 1 0 320.433 3.094 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c1 ZINC000895658137 618812889 /nfs/dbraw/zinc/81/28/89/618812889.db2.gz HSUOQIBAYCGUOI-QGZVFWFLSA-N 1 0 301.386 3.003 20 10 DGCDRO COc1ccc(C[NH+]2CC(Cc3cccs3)C2)c(O)c1OC ZINC000895661618 618813835 /nfs/dbraw/zinc/81/38/35/618813835.db2.gz HFAXHAUAQVOOQZ-UHFFFAOYSA-N 1 0 319.426 3.145 20 10 DGCDRO Cc1cccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1O ZINC000895798674 618833054 /nfs/dbraw/zinc/83/30/54/618833054.db2.gz JEHYMHVMWYNNQB-QGZVFWFLSA-N 1 0 319.445 3.156 20 10 DGCDRO CC(C)OC(=O)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000895829495 618838950 /nfs/dbraw/zinc/83/89/50/618838950.db2.gz ULLCTDPKRMUJRL-UHFFFAOYSA-N 1 0 311.809 3.209 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c(O)c1OC ZINC000895938911 618851739 /nfs/dbraw/zinc/85/17/39/618851739.db2.gz NCJKTSHOVFHOCV-CQSZACIVSA-N 1 0 319.323 3.184 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000896220306 618885296 /nfs/dbraw/zinc/88/52/96/618885296.db2.gz OZLUXUOSNHYTEH-XLIONFOSSA-N 1 0 309.409 3.101 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c1O ZINC000896279682 618896187 /nfs/dbraw/zinc/89/61/87/618896187.db2.gz FCEADIXFQRZFKO-QWHCGFSZSA-N 1 0 303.324 3.154 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)cc1Cl ZINC000896488412 618917775 /nfs/dbraw/zinc/91/77/75/618917775.db2.gz MWEGJYUBRHDLKK-ZDUSSCGKSA-N 1 0 319.836 3.467 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000896490726 618918272 /nfs/dbraw/zinc/91/82/72/618918272.db2.gz WFAUETVOKKGWNS-KRWDZBQOSA-N 1 0 312.461 3.174 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)c1O ZINC000896563678 618928819 /nfs/dbraw/zinc/92/88/19/618928819.db2.gz KUTCBBLHJCLYQA-GOSISDBHSA-N 1 0 303.377 3.091 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](c2ccccn2)C2CC2)cc1OC ZINC000896613446 618934051 /nfs/dbraw/zinc/93/40/51/618934051.db2.gz XAXFNWITCPNIDO-SFHVURJKSA-N 1 0 314.385 3.045 20 10 DGCDRO CCc1cccc(CN[C@H](CC[NH+](C)C)c2cccnc2)c1O ZINC000896717929 618949913 /nfs/dbraw/zinc/94/99/13/618949913.db2.gz YIXVKCSTKDXNDT-GOSISDBHSA-N 1 0 313.445 3.132 20 10 DGCDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000896737356 618951452 /nfs/dbraw/zinc/95/14/52/618951452.db2.gz RRYAZBNSYZBJSG-KSSFIOAISA-N 1 0 313.397 3.096 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000896821125 618965115 /nfs/dbraw/zinc/96/51/15/618965115.db2.gz FDQRTIYSHIKNDY-DGCLKSJQSA-N 1 0 307.287 3.121 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1O ZINC000896825423 618965891 /nfs/dbraw/zinc/96/58/91/618965891.db2.gz RYRBRBLXUQVIBR-CYBMUJFWSA-N 1 0 313.397 3.322 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2cccc3oc(C)nc32)c1 ZINC000896887767 618976079 /nfs/dbraw/zinc/97/60/79/618976079.db2.gz UKMRRLIEBVQJMH-UHFFFAOYSA-N 1 0 312.369 3.183 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@@H]1C ZINC000840717703 619037719 /nfs/dbraw/zinc/03/77/19/619037719.db2.gz HYBOEFGWCZDRQX-OWQGQXMQSA-N 1 0 320.452 3.311 20 10 DGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000840718794 619041786 /nfs/dbraw/zinc/04/17/86/619041786.db2.gz BQUHTKKNHZVEMS-CYBMUJFWSA-N 1 0 317.408 3.016 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3nc(C)cs3)C2)c1 ZINC000897299012 619048654 /nfs/dbraw/zinc/04/86/54/619048654.db2.gz QQSRPYDPSRPONZ-ZDUSSCGKSA-N 1 0 318.442 3.230 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)c(O)c1OC ZINC000897473954 619132800 /nfs/dbraw/zinc/13/28/00/619132800.db2.gz ITRSWCCLLFSWPT-AWEZNQCLSA-N 1 0 323.433 3.094 20 10 DGCDRO CN(CC[NH2+]C(C)(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000841003062 619136535 /nfs/dbraw/zinc/13/65/35/619136535.db2.gz LFDOBLPJNHCHFX-UHFFFAOYSA-N 1 0 303.494 3.497 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000841041454 619243036 /nfs/dbraw/zinc/24/30/36/619243036.db2.gz CJCMKASRNBTLOE-QGZVFWFLSA-N 1 0 303.837 3.196 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)c1O ZINC000898422992 619274747 /nfs/dbraw/zinc/27/47/47/619274747.db2.gz PUWKXKKAXQAIEL-ABAIWWIYSA-N 1 0 313.850 3.239 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000898482253 619278387 /nfs/dbraw/zinc/27/83/87/619278387.db2.gz AVYHYKRXNPVMGQ-FDRQBBGKSA-N 1 0 316.445 3.087 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000901055277 619469658 /nfs/dbraw/zinc/46/96/58/619469658.db2.gz MRSSPVOHXONKTJ-UHFFFAOYSA-N 1 0 323.396 3.269 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+](C)[C@@H]3CC[C@H]3OC)c2c1 ZINC000902639209 619660313 /nfs/dbraw/zinc/66/03/13/619660313.db2.gz PAKCXDYGFWQKMD-SJLPKXTDSA-N 1 0 301.386 3.163 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCOC[C@H]2CC2CCOCC2)c1 ZINC000902670273 619662762 /nfs/dbraw/zinc/66/27/62/619662762.db2.gz NFIBMRLMDRFHJW-GOSISDBHSA-N 1 0 319.445 3.027 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902742287 619668806 /nfs/dbraw/zinc/66/88/06/619668806.db2.gz NBYNQBMTYCAVLA-WKWVNEEDSA-N 1 0 312.457 3.190 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](F)C3)cc2)CC1 ZINC000902993647 619700744 /nfs/dbraw/zinc/70/07/44/619700744.db2.gz WKCJRUGYXCZGHL-MRXNPFEDSA-N 1 0 306.425 3.236 20 10 DGCDRO CC(C)[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1nncn1C ZINC000903064069 619709123 /nfs/dbraw/zinc/70/91/23/619709123.db2.gz KIXROOCIXSEZSF-YGRLFVJLSA-N 1 0 308.813 3.222 20 10 DGCDRO C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1cc(F)ccc1O ZINC000903240028 619742672 /nfs/dbraw/zinc/74/26/72/619742672.db2.gz SSOROPMLBYSCFE-NSHDSACASA-N 1 0 324.396 3.239 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCONC(=O)OC(C)(C)C)c(O)c1 ZINC000903239153 619742702 /nfs/dbraw/zinc/74/27/02/619742702.db2.gz JGURTGBDCWBRHV-ZDUSSCGKSA-N 1 0 324.421 3.198 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@]1(c3ccccc3)C[C@@H](O)C1)CC2 ZINC000903269584 619749723 /nfs/dbraw/zinc/74/97/23/619749723.db2.gz BMVSZHAZKUNVIX-ZWOKBUDYSA-N 1 0 309.409 3.062 20 10 DGCDRO Cc1cc(CO)cc(C)c1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000903304012 619754150 /nfs/dbraw/zinc/75/41/50/619754150.db2.gz YFLUNIVHNIDSJA-ZDUSSCGKSA-N 1 0 303.377 3.491 20 10 DGCDRO C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccc(N(C)C)cc1 ZINC000903359897 619765160 /nfs/dbraw/zinc/76/51/60/619765160.db2.gz UEZLUIJBUMBKTP-UWWQBHOKSA-N 1 0 300.446 3.362 20 10 DGCDRO C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc2ccccc2c1O ZINC000903421473 619776212 /nfs/dbraw/zinc/77/62/12/619776212.db2.gz UIBUODWOPJTFKH-ZDUSSCGKSA-N 1 0 323.396 3.123 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000903451038 619778887 /nfs/dbraw/zinc/77/88/87/619778887.db2.gz QNEYSFSKHJQLDX-NRWUCQMLSA-N 1 0 321.392 3.401 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C1(Cl)CC1)c1ccc(N2CCOCC2)cc1 ZINC000924795905 619894485 /nfs/dbraw/zinc/89/44/85/619894485.db2.gz RDUILZQAIBIJGY-KGLIPLIRSA-N 1 0 308.853 3.334 20 10 DGCDRO CCC1(O)CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000754742160 620578762 /nfs/dbraw/zinc/57/87/62/620578762.db2.gz QUBYRSKIYDPLTL-UHFFFAOYSA-N 1 0 321.461 3.435 20 10 DGCDRO COc1ccccc1C[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000915807962 620598699 /nfs/dbraw/zinc/59/86/99/620598699.db2.gz RUSNBQDULAXZJF-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cn(C)nc2C2CCCC2)cc1 ZINC000921495485 620858893 /nfs/dbraw/zinc/85/88/93/620858893.db2.gz BLCKGPDOSSEECJ-UHFFFAOYSA-N 1 0 312.461 3.434 20 10 DGCDRO CC(C)Oc1ncccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921535499 620903961 /nfs/dbraw/zinc/90/39/61/620903961.db2.gz CEDCCOKWAMYDNI-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000921625583 620917731 /nfs/dbraw/zinc/91/77/31/620917731.db2.gz NQMHKKUJWNAIEZ-UHFFFAOYSA-N 1 0 318.852 3.298 20 10 DGCDRO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000921746603 620943991 /nfs/dbraw/zinc/94/39/91/620943991.db2.gz GHMUWIZFNUDJJU-UHFFFAOYSA-N 1 0 306.841 3.290 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)n1 ZINC000921756590 620945431 /nfs/dbraw/zinc/94/54/31/620945431.db2.gz YWDULCOLUQDBQZ-BFHYXJOUSA-N 1 0 312.504 3.420 20 10 DGCDRO Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921762885 620946196 /nfs/dbraw/zinc/94/61/96/620946196.db2.gz QYKDJMREWUQIAX-GFCCVEGCSA-N 1 0 300.402 3.337 20 10 DGCDRO C[S@](=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921823031 620956320 /nfs/dbraw/zinc/95/63/20/620956320.db2.gz NTMKBQOFFBMIMG-QFIPXVFZSA-N 1 0 315.438 3.039 20 10 DGCDRO Clc1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921842845 620960425 /nfs/dbraw/zinc/96/04/25/620960425.db2.gz RELKYALSQUYMNJ-UHFFFAOYSA-N 1 0 302.805 3.392 20 10 DGCDRO c1cc2c(cc1CNC1CC([NH+]3CCCCC3)C1)CCCO2 ZINC000922080177 620986968 /nfs/dbraw/zinc/98/69/68/620986968.db2.gz AWUVXVHXRQJYFD-UHFFFAOYSA-N 1 0 300.446 3.118 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3ccnc(C)c3)CC2)cc1 ZINC000856721173 621010354 /nfs/dbraw/zinc/01/03/54/621010354.db2.gz BSPQXQVVXYGAFL-UHFFFAOYSA-N 1 0 311.429 3.111 20 10 DGCDRO CCOc1cncc(C[NH2+]CCCSc2nccs2)c1 ZINC000856770657 621018307 /nfs/dbraw/zinc/01/83/07/621018307.db2.gz YRGKCAAIJKJLNU-UHFFFAOYSA-N 1 0 309.460 3.209 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)CCCO2 ZINC000922315065 621022286 /nfs/dbraw/zinc/02/22/86/621022286.db2.gz WAJDETWWZRRMTQ-MJGOQNOKSA-N 1 0 301.430 3.306 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)cc1C ZINC000922457303 621040003 /nfs/dbraw/zinc/04/00/03/621040003.db2.gz IQCYUHFWCNJUJQ-TZMCWYRMSA-N 1 0 303.324 3.209 20 10 DGCDRO C[N@H+](Cc1ccnn1CCc1ccccc1)Cc1ccccc1O ZINC000857018744 621045699 /nfs/dbraw/zinc/04/56/99/621045699.db2.gz SZAJMSJUJHNWOR-UHFFFAOYSA-N 1 0 321.424 3.463 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2c(C)cc(CO)cc2C)c(O)c1 ZINC000922559713 621055287 /nfs/dbraw/zinc/05/52/87/621055287.db2.gz FHGWFJHOKJTTQT-UHFFFAOYSA-N 1 0 315.413 3.190 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCc2cc(C)n(C)n2)cc1F ZINC000922688657 621081770 /nfs/dbraw/zinc/08/17/70/621081770.db2.gz SFAUSZVFYLKFFF-UHFFFAOYSA-N 1 0 318.440 3.046 20 10 DGCDRO FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000922698256 621083959 /nfs/dbraw/zinc/08/39/59/621083959.db2.gz WPXCSGGFJVZAIY-ZFWWWQNUSA-N 1 0 315.335 3.211 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)cc1C ZINC000922708989 621087256 /nfs/dbraw/zinc/08/72/56/621087256.db2.gz OPRFGZFYVIPLLQ-CQSZACIVSA-N 1 0 316.367 3.125 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCc2nc3c(s2)CCC3)cc1F ZINC000922714772 621088349 /nfs/dbraw/zinc/08/83/49/621088349.db2.gz KWDRJJCGJAAVQM-UHFFFAOYSA-N 1 0 319.449 3.169 20 10 DGCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(C)ccc3O)C2)n1 ZINC000922864344 621110878 /nfs/dbraw/zinc/11/08/78/621110878.db2.gz DCHCTIMJLRSGMF-GXTWGEPZSA-N 1 0 301.390 3.072 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(C)c(C)cc3O)C2)n1 ZINC000922868334 621112217 /nfs/dbraw/zinc/11/22/17/621112217.db2.gz YDVAIKNUPYEWCS-UKRRQHHQSA-N 1 0 315.417 3.380 20 10 DGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)n1 ZINC000922871399 621112364 /nfs/dbraw/zinc/11/23/64/621112364.db2.gz FTKYLDOBRHLMPO-CABCVRRESA-N 1 0 315.417 3.375 20 10 DGCDRO CCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757966 621118131 /nfs/dbraw/zinc/11/81/31/621118131.db2.gz YRBVNLFMPNCOOY-INIZCTEOSA-N 1 0 319.493 3.269 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccccc1O ZINC000857875333 621126530 /nfs/dbraw/zinc/12/65/30/621126530.db2.gz KSFKAMCOGFREFB-FUHWJXTLSA-N 1 0 310.397 3.146 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875465 621126714 /nfs/dbraw/zinc/12/67/14/621126714.db2.gz PFZNBESSTNEPCR-ACJLOTCBSA-N 1 0 310.397 3.065 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000922951134 621136429 /nfs/dbraw/zinc/13/64/29/621136429.db2.gz JTFJYJMBDGIHCI-AWEZNQCLSA-N 1 0 307.434 3.474 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000922966989 621139135 /nfs/dbraw/zinc/13/91/35/621139135.db2.gz CCOYGOSTXKZJJB-HNNXBMFYSA-N 1 0 305.418 3.372 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000923037540 621150276 /nfs/dbraw/zinc/15/02/76/621150276.db2.gz PEGBRZNOZGXWTP-FXAWDEMLSA-N 1 0 312.457 3.478 20 10 DGCDRO Cc1nc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)cs1 ZINC000858095414 621152406 /nfs/dbraw/zinc/15/24/06/621152406.db2.gz SZPQZRNVLIYWKS-UHFFFAOYSA-N 1 0 311.401 3.128 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CC2CCSCC2)cc1F ZINC000858136090 621156801 /nfs/dbraw/zinc/15/68/01/621156801.db2.gz HOUOZMWJUBFHTQ-UHFFFAOYSA-N 1 0 300.418 3.264 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCC[C@@H]2CCCCO2)cc1F ZINC000858157289 621159652 /nfs/dbraw/zinc/15/96/52/621159652.db2.gz WYWALTSWAUSRPB-AWEZNQCLSA-N 1 0 312.404 3.470 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1F ZINC000858173084 621161551 /nfs/dbraw/zinc/16/15/51/621161551.db2.gz QGLBWPIPOMIHSR-CYBMUJFWSA-N 1 0 324.415 3.470 20 10 DGCDRO Cc1cnc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)c(C)c1 ZINC000858186147 621162527 /nfs/dbraw/zinc/16/25/27/621162527.db2.gz RQFQQYDXRBNVQY-UHFFFAOYSA-N 1 0 319.399 3.375 20 10 DGCDRO CCn1nncc1C[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000858202779 621164336 /nfs/dbraw/zinc/16/43/36/621164336.db2.gz JAIRIUMGUOENRZ-UHFFFAOYSA-N 1 0 323.444 3.304 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000858241489 621167078 /nfs/dbraw/zinc/16/70/78/621167078.db2.gz VSWKHSFFIFDKKY-UHFFFAOYSA-N 1 0 300.402 3.172 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)CC2)cc1 ZINC000858283612 621171549 /nfs/dbraw/zinc/17/15/49/621171549.db2.gz MNCQFFOSTYTKAU-QZNHQWIBSA-N 1 0 318.461 3.066 20 10 DGCDRO C/C=C/C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000858536024 621202636 /nfs/dbraw/zinc/20/26/36/621202636.db2.gz DAJSVQARBPQWCG-XNPJLODASA-N 1 0 300.196 3.390 20 10 DGCDRO CC[C@@H](Cn1cncn1)[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858541520 621203014 /nfs/dbraw/zinc/20/30/14/621203014.db2.gz BCKQKCPRMGMGTA-SFHVURJKSA-N 1 0 323.444 3.254 20 10 DGCDRO C[C@@H]([NH2+]CCN(C)CC(F)F)c1cc2c(cc1O)CCCC2 ZINC000858596643 621208726 /nfs/dbraw/zinc/20/87/26/621208726.db2.gz IAXSFORWPWMUSA-GFCCVEGCSA-N 1 0 312.404 3.119 20 10 DGCDRO COC1CC(C[N@H+](Cc2ccco2)Cc2ccccc2O)C1 ZINC000859190063 621258874 /nfs/dbraw/zinc/25/88/74/621258874.db2.gz FAFUZUSLZCYWQO-UHFFFAOYSA-N 1 0 301.386 3.412 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(CO)ccc1F)c1ccc(N(C)C)cc1 ZINC000859258812 621265701 /nfs/dbraw/zinc/26/57/01/621265701.db2.gz UFBQTMKVMZMGED-ZDUSSCGKSA-N 1 0 302.393 3.235 20 10 DGCDRO CC(C)C1CC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000839145212 621332308 /nfs/dbraw/zinc/33/23/08/621332308.db2.gz NWIUMOMVSWGBLN-UHFFFAOYSA-N 1 0 324.415 3.326 20 10 DGCDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146529 621332860 /nfs/dbraw/zinc/33/28/60/621332860.db2.gz KVDYOLXEDDGVLC-WBMJQRKESA-N 1 0 310.388 3.080 20 10 DGCDRO C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000839183276 621344686 /nfs/dbraw/zinc/34/46/86/621344686.db2.gz VSHJUWCNJOMSPY-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO C[NH+](C)CCN(Cc1ccsc1)Cc1cc(F)ccc1O ZINC000839186166 621345258 /nfs/dbraw/zinc/34/52/58/621345258.db2.gz JWAIMVVEOMTSCJ-UHFFFAOYSA-N 1 0 308.422 3.157 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(O)c1 ZINC000839193726 621347427 /nfs/dbraw/zinc/34/74/27/621347427.db2.gz WQPOLFFWMGSEJG-ZWKOTPCHSA-N 1 0 319.445 3.164 20 10 DGCDRO CCC(CC)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000839481491 621379843 /nfs/dbraw/zinc/37/98/43/621379843.db2.gz ZHHHNMNEFHMESZ-UHFFFAOYSA-N 1 0 317.477 3.022 20 10 DGCDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753571780 621450051 /nfs/dbraw/zinc/45/00/51/621450051.db2.gz XNDNPWROZYQONY-GJZGRUSLSA-N 1 0 315.413 3.220 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000753575591 621450348 /nfs/dbraw/zinc/45/03/48/621450348.db2.gz IESQGRFUOLWPGQ-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(F)c(F)c2F)c1 ZINC000753576867 621450447 /nfs/dbraw/zinc/45/04/47/621450447.db2.gz WDUIFTMAMHFPAP-UHFFFAOYSA-N 1 0 311.303 3.150 20 10 DGCDRO CCOc1ccc(CN(CCC[NH3+])c2cccc(F)c2)c(O)c1 ZINC000753590388 621452245 /nfs/dbraw/zinc/45/22/45/621452245.db2.gz MWSSGNUFEJWMCB-UHFFFAOYSA-N 1 0 318.392 3.285 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1O ZINC000753594395 621452622 /nfs/dbraw/zinc/45/26/22/621452622.db2.gz LRSAEGNLBDJFEG-KRWDZBQOSA-N 1 0 319.832 3.437 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1C ZINC000754834071 621536014 /nfs/dbraw/zinc/53/60/14/621536014.db2.gz OBGCPVDONDFZHS-JQHSSLGASA-N 1 0 301.430 3.441 20 10 DGCDRO CS[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862385189 621582304 /nfs/dbraw/zinc/58/23/04/621582304.db2.gz PPZIQVMLRDKESX-SECBINFHSA-N 1 0 302.237 3.092 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@]1(C)CCCS1 ZINC000862214501 621562289 /nfs/dbraw/zinc/56/22/89/621562289.db2.gz SXDMURZJTVRUNE-GOSISDBHSA-N 1 0 320.502 3.241 20 10 DGCDRO CN(C)c1cc(F)c(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1F ZINC000862231723 621564339 /nfs/dbraw/zinc/56/43/39/621564339.db2.gz KJZHYMILXOEDIX-UHFFFAOYSA-N 1 0 320.387 3.134 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)CCc2ccncc2)cc1F ZINC000862324428 621574538 /nfs/dbraw/zinc/57/45/38/621574538.db2.gz MFSQDUOUPAFURW-UHFFFAOYSA-N 1 0 305.372 3.100 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1F ZINC000862387483 621582942 /nfs/dbraw/zinc/58/29/42/621582942.db2.gz NMCZOIOWKDFPRG-KRWDZBQOSA-N 1 0 310.388 3.033 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1F ZINC000862397653 621584340 /nfs/dbraw/zinc/58/43/40/621584340.db2.gz VIOJSTLFDHMAAL-CYBMUJFWSA-N 1 0 312.404 3.015 20 10 DGCDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)ccc1N1CCCCC1 ZINC000862440646 621589957 /nfs/dbraw/zinc/58/99/57/621589957.db2.gz JLYGGDRIUNZPAR-GASCZTMLSA-N 1 0 301.390 3.037 20 10 DGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(C)ccc1O ZINC000862468518 621592887 /nfs/dbraw/zinc/59/28/87/621592887.db2.gz KDPVJMKLKONWEJ-UHFFFAOYSA-N 1 0 308.422 3.047 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1O ZINC000862469022 621593517 /nfs/dbraw/zinc/59/35/17/621593517.db2.gz WONJLKMPBBAAPT-ZDUSSCGKSA-N 1 0 318.795 3.173 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c1O ZINC000862484867 621594927 /nfs/dbraw/zinc/59/49/27/621594927.db2.gz CEWXISNJAPRBRC-UHFFFAOYSA-N 1 0 312.413 3.227 20 10 DGCDRO CCC(O)(CC)C[N@H+](C)Cc1c(O)cccc1Br ZINC000862538564 621598482 /nfs/dbraw/zinc/59/84/82/621598482.db2.gz ALSHDLPYAGXPLW-UHFFFAOYSA-N 1 0 316.239 3.138 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000862541734 621598813 /nfs/dbraw/zinc/59/88/13/621598813.db2.gz UTRZLNWOPCFXJH-ZDUSSCGKSA-N 1 0 308.422 3.046 20 10 DGCDRO CC(C)CCOCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000755943561 621605648 /nfs/dbraw/zinc/60/56/48/621605648.db2.gz LJPGHLNNFJTVEA-SFHVURJKSA-N 1 0 321.461 3.436 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000756382570 621633475 /nfs/dbraw/zinc/63/34/75/621633475.db2.gz RMMPRJWGIQOHNC-YVEFUNNKSA-N 1 0 301.386 3.248 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c(O)c1C ZINC000756397599 621635239 /nfs/dbraw/zinc/63/52/39/621635239.db2.gz WDKCMIUXXTYXLW-HNNXBMFYSA-N 1 0 318.461 3.307 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C[NH+]1CCCCC1 ZINC000756435033 621638371 /nfs/dbraw/zinc/63/83/71/621638371.db2.gz SXCLZDLLVZQCQL-STQMWFEESA-N 1 0 312.404 3.443 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1cc(F)ccc1O ZINC000756457844 621639642 /nfs/dbraw/zinc/63/96/42/621639642.db2.gz RRSMEYXDMPCEFP-CHWSQXEVSA-N 1 0 301.361 3.433 20 10 DGCDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756498622 621642541 /nfs/dbraw/zinc/64/25/41/621642541.db2.gz VQUQYLGRCUAXSN-CMPLNLGQSA-N 1 0 316.239 3.212 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)c(O)c1C ZINC000756504802 621643073 /nfs/dbraw/zinc/64/30/73/621643073.db2.gz YWTFKOQHWZGDOO-ZDUSSCGKSA-N 1 0 312.404 3.389 20 10 DGCDRO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756535932 621645851 /nfs/dbraw/zinc/64/58/51/621645851.db2.gz SQMMYUUYGYOKQZ-ZDUSSCGKSA-N 1 0 321.421 3.073 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000756545700 621646723 /nfs/dbraw/zinc/64/67/23/621646723.db2.gz ODKXZXFIAFFLHA-CJNGLKHVSA-N 1 0 300.446 3.158 20 10 DGCDRO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000756555064 621647941 /nfs/dbraw/zinc/64/79/41/621647941.db2.gz QIPMWDQVYPCMFE-OAHLLOKOSA-N 1 0 320.477 3.241 20 10 DGCDRO CCc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)[nH]n1 ZINC000756574057 621650174 /nfs/dbraw/zinc/65/01/74/621650174.db2.gz MMYFWSKIAMOJJA-SECBINFHSA-N 1 0 324.222 3.291 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCOc2cccnc2)c2c1c(F)ccc2O ZINC000756570955 621650313 /nfs/dbraw/zinc/65/03/13/621650313.db2.gz GWJSSXYAOHXGCL-RISCZKNCSA-N 1 0 302.349 3.143 20 10 DGCDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(Br)cc1O ZINC000756575338 621650528 /nfs/dbraw/zinc/65/05/28/621650528.db2.gz PGABZHGCBVNGHO-SNVBAGLBSA-N 1 0 314.223 3.110 20 10 DGCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756586716 621651040 /nfs/dbraw/zinc/65/10/40/621651040.db2.gz TXTYRWOYOQLUEI-BMIGLBTASA-N 1 0 301.365 3.358 20 10 DGCDRO C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756592787 621651770 /nfs/dbraw/zinc/65/17/70/621651770.db2.gz VLQDOAIAPVBUAT-BLLLJJGKSA-N 1 0 323.437 3.317 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccsc2)c2c1c(F)ccc2O ZINC000756592049 621651815 /nfs/dbraw/zinc/65/18/15/621651815.db2.gz IHKNTTLZWRIHSS-GAJTVXKRSA-N 1 0 307.390 3.464 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCNc2ccccn2)c2c1c(F)ccc2O ZINC000756604881 621652305 /nfs/dbraw/zinc/65/23/05/621652305.db2.gz GVBUVLHJDWCEQP-YPMHNXCESA-N 1 0 301.365 3.176 20 10 DGCDRO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756626256 621653491 /nfs/dbraw/zinc/65/34/91/621653491.db2.gz BJUOXVZWHIXJBL-GJZGRUSLSA-N 1 0 302.462 3.263 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2c(C)noc2C)c1 ZINC000756640881 621655111 /nfs/dbraw/zinc/65/51/11/621655111.db2.gz QKLYFPUHTNQLKO-LLVKDONJSA-N 1 0 304.390 3.289 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@]2(N(C)C)CCSC2)c2c1c(F)ccc2O ZINC000756638599 621655312 /nfs/dbraw/zinc/65/53/12/621655312.db2.gz UWZGVILSYBXIRJ-CJBNDPTMSA-N 1 0 324.465 3.107 20 10 DGCDRO COc1ccc(OCC[N@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000119361204 621656813 /nfs/dbraw/zinc/65/68/13/621656813.db2.gz UNGZORQOYXHIQR-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c(O)c1C ZINC000756764426 621662686 /nfs/dbraw/zinc/66/26/86/621662686.db2.gz IYWOCEYUKBNVRD-CVEARBPZSA-N 1 0 319.445 3.388 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000756775695 621663868 /nfs/dbraw/zinc/66/38/68/621663868.db2.gz RGPVJCJTWNIDQQ-ABAIWWIYSA-N 1 0 323.795 3.439 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000756775696 621663933 /nfs/dbraw/zinc/66/39/33/621663933.db2.gz RGPVJCJTWNIDQQ-IAQYHMDHSA-N 1 0 323.795 3.439 20 10 DGCDRO COC[C@@]1(C)C[N@H+](Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000863339906 621664612 /nfs/dbraw/zinc/66/46/12/621664612.db2.gz GGWGZPNQKPQLCT-GOSISDBHSA-N 1 0 307.434 3.061 20 10 DGCDRO COC[C@]1(C)C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000863339331 621664622 /nfs/dbraw/zinc/66/46/22/621664622.db2.gz BPIIQIOPTFCWNE-IBGZPJMESA-N 1 0 321.461 3.235 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000756913896 621672825 /nfs/dbraw/zinc/67/28/25/621672825.db2.gz XAIZLJRQXRPRGO-UHFFFAOYSA-N 1 0 312.369 3.476 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000757652883 621731236 /nfs/dbraw/zinc/73/12/36/621731236.db2.gz GONDENUWEGJFFR-ZIAGYGMSSA-N 1 0 319.401 3.292 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000758507674 621785868 /nfs/dbraw/zinc/78/58/68/621785868.db2.gz WSHUKBIDQOCDFD-SFHVURJKSA-N 1 0 319.408 3.429 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2cccc(C)c2)c1 ZINC000120149204 621791927 /nfs/dbraw/zinc/79/19/27/621791927.db2.gz SWHLGKRLDTWGCG-CQSZACIVSA-N 1 0 301.386 3.439 20 10 DGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000759155712 621830049 /nfs/dbraw/zinc/83/00/49/621830049.db2.gz ACJHEYNRFANYLL-SFHVURJKSA-N 1 0 322.412 3.319 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccccc1O ZINC000760040453 621912229 /nfs/dbraw/zinc/91/22/29/621912229.db2.gz KHYRGGQCVNAZLB-IRWQIABSSA-N 1 0 315.388 3.348 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000760035568 621912438 /nfs/dbraw/zinc/91/24/38/621912438.db2.gz BAXSQMHUTMHSKL-ZFWWWQNUSA-N 1 0 312.404 3.344 20 10 DGCDRO COCCc1ncc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000865531059 621944715 /nfs/dbraw/zinc/94/47/15/621944715.db2.gz FRQIHWLZVRVVQX-CYBMUJFWSA-N 1 0 319.474 3.249 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]CCc2ccn(C)n2)cc1 ZINC000760650798 621956277 /nfs/dbraw/zinc/95/62/77/621956277.db2.gz XIZGZPBLMMVVBI-UHFFFAOYSA-N 1 0 314.477 3.379 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCNc1cnccn1 ZINC000760702113 621959333 /nfs/dbraw/zinc/95/93/33/621959333.db2.gz PXHBXSINGXAPHH-UHFFFAOYSA-N 1 0 320.396 3.051 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccnc(SC)c2)c1O ZINC000761215829 621994744 /nfs/dbraw/zinc/99/47/44/621994744.db2.gz JEEASWCRFGCYAD-UHFFFAOYSA-N 1 0 324.833 3.461 20 10 DGCDRO CCC1(O)CCC([NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761216422 621995373 /nfs/dbraw/zinc/99/53/73/621995373.db2.gz RKKAWDWPHZAKQW-UHFFFAOYSA-N 1 0 313.825 3.228 20 10 DGCDRO CCc1cnc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000761219834 621995389 /nfs/dbraw/zinc/99/53/89/621995389.db2.gz COUZHBKCQIKPDE-UHFFFAOYSA-N 1 0 319.474 3.282 20 10 DGCDRO FC(F)(F)CCSCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000865788540 621996156 /nfs/dbraw/zinc/99/61/56/621996156.db2.gz VEHRERZIWMAPSC-UHFFFAOYSA-N 1 0 305.365 3.397 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2c3ccccc3CN2C)c1 ZINC000865807877 621999155 /nfs/dbraw/zinc/99/91/55/621999155.db2.gz YYQHBRHXZDLCHT-GOSISDBHSA-N 1 0 312.413 3.067 20 10 DGCDRO CC[N@H+](CC(N)=O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000789596044 625532488 /nfs/dbraw/zinc/53/24/88/625532488.db2.gz JJPKXYYXNBMJGG-UHFFFAOYSA-N 1 0 320.477 3.294 20 10 DGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)c1 ZINC000762051046 622048802 /nfs/dbraw/zinc/04/88/02/622048802.db2.gz PNZJVOGCHKOPRX-SFHVURJKSA-N 1 0 313.397 3.067 20 10 DGCDRO C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000866247526 622075417 /nfs/dbraw/zinc/07/54/17/622075417.db2.gz AVTGMLDVKCSPEI-CQSZACIVSA-N 1 0 301.409 3.398 20 10 DGCDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000866414653 622114285 /nfs/dbraw/zinc/11/42/85/622114285.db2.gz JINAAGQFLUMLME-PWSUYJOCSA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)CC1(C)OCCO1 ZINC000866426270 622116365 /nfs/dbraw/zinc/11/63/65/622116365.db2.gz XIUMRJLXNNQFQZ-SCRDCRAPSA-N 1 0 323.408 3.458 20 10 DGCDRO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(N2CCCCC2)cc1 ZINC000866442045 622118649 /nfs/dbraw/zinc/11/86/49/622118649.db2.gz CKJYZHRMMZAETC-BBRMVZONSA-N 1 0 312.404 3.344 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)[C@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866465793 622122832 /nfs/dbraw/zinc/12/28/32/622122832.db2.gz VKIYWPRTXUYCPQ-SWHYSGLUSA-N 1 0 304.356 3.105 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c1O ZINC000866491243 622126776 /nfs/dbraw/zinc/12/67/76/622126776.db2.gz OKYUQPXXNCFMNY-NUTKFTJISA-N 1 0 305.418 3.399 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)on1 ZINC000866515225 622131058 /nfs/dbraw/zinc/13/10/58/622131058.db2.gz DMLAXTHRGHBEOH-VIFPVBQESA-N 1 0 324.764 3.061 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c1 ZINC000866529882 622132199 /nfs/dbraw/zinc/13/21/99/622132199.db2.gz TVLCMASUVVZODM-KBPBESRZSA-N 1 0 305.418 3.258 20 10 DGCDRO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O)C1CCCCC1 ZINC000121147777 622146254 /nfs/dbraw/zinc/14/62/54/622146254.db2.gz BLHPTUCHZXESGC-OAHLLOKOSA-N 1 0 318.461 3.394 20 10 DGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000866635893 622151390 /nfs/dbraw/zinc/15/13/90/622151390.db2.gz UVBJAUKOUPYNKT-HOSYDEDBSA-N 1 0 316.239 3.355 20 10 DGCDRO O=C1O[C@@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)CC12CC2 ZINC000763693144 622158564 /nfs/dbraw/zinc/15/85/64/622158564.db2.gz ZFHPFBZXESXKOA-MRXNPFEDSA-N 1 0 315.413 3.233 20 10 DGCDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1O ZINC000868015323 622205181 /nfs/dbraw/zinc/20/51/81/622205181.db2.gz USTQWBSBPBFYNU-AWEZNQCLSA-N 1 0 319.449 3.017 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000764770788 622219235 /nfs/dbraw/zinc/21/92/35/622219235.db2.gz OKLBNEWGKKQGAO-KPZWWZAWSA-N 1 0 320.383 3.415 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)Cc3ccco3)CC2)cc1 ZINC000764774809 622219857 /nfs/dbraw/zinc/21/98/57/622219857.db2.gz RGFBRYXXUBWQTJ-OAHLLOKOSA-N 1 0 314.429 3.478 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCCn2ccnc2)cc1 ZINC000765257083 622254502 /nfs/dbraw/zinc/25/45/02/622254502.db2.gz HZBILNKMZOLRJJ-INIZCTEOSA-N 1 0 300.450 3.470 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000765280504 622256460 /nfs/dbraw/zinc/25/64/60/622256460.db2.gz LYORYBVPPPJCMY-WMZOPIPTSA-N 1 0 301.478 3.422 20 10 DGCDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765331562 622259863 /nfs/dbraw/zinc/25/98/63/622259863.db2.gz FFBBSDAMEOPKST-MRXNPFEDSA-N 1 0 317.477 3.196 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765338075 622260312 /nfs/dbraw/zinc/26/03/12/622260312.db2.gz USHYQCCZQLIYQO-MELADBBJSA-N 1 0 308.853 3.483 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCN1CC(F)F ZINC000765718116 622283986 /nfs/dbraw/zinc/28/39/86/622283986.db2.gz WWNITSRGXWPHJG-MRXNPFEDSA-N 1 0 324.415 3.042 20 10 DGCDRO C[C@H](CC(N)=O)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000765791402 622287485 /nfs/dbraw/zinc/28/74/85/622287485.db2.gz QXJDXGPRKSOYFR-GFCCVEGCSA-N 1 0 320.477 3.341 20 10 DGCDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000765931748 622294912 /nfs/dbraw/zinc/29/49/12/622294912.db2.gz QONMMXRUQZOBFM-DNVCBOLYSA-N 1 0 302.462 3.489 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000766103095 622306428 /nfs/dbraw/zinc/30/64/28/622306428.db2.gz IGVWLRBSFLOUJZ-UHFFFAOYSA-N 1 0 313.397 3.238 20 10 DGCDRO CC[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000766440727 622330023 /nfs/dbraw/zinc/33/00/23/622330023.db2.gz YVBYIWHYBJKHKQ-QZTJIDSGSA-N 1 0 321.534 3.231 20 10 DGCDRO C[C@@H](O)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000789758204 625562027 /nfs/dbraw/zinc/56/20/27/625562027.db2.gz QMWCONNDZTYHBP-OAHLLOKOSA-N 1 0 315.413 3.222 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c(O)c1 ZINC000767728795 622419041 /nfs/dbraw/zinc/41/90/41/622419041.db2.gz SGSBIBNVAYHVFJ-INIZCTEOSA-N 1 0 313.397 3.144 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnn(CC)c2)cc1 ZINC000768207992 622445507 /nfs/dbraw/zinc/44/55/07/622445507.db2.gz LFCFSIYVQNPCES-UHFFFAOYSA-N 1 0 300.450 3.381 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)c(O)c1 ZINC000768238031 622446995 /nfs/dbraw/zinc/44/69/95/622446995.db2.gz UTYJSBJSPBWPIB-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO COc1cc(Br)cc(C[N@H+](C)CC(C)C)c1O ZINC000768242844 622447165 /nfs/dbraw/zinc/44/71/65/622447165.db2.gz DBVKODZVZBISFJ-UHFFFAOYSA-N 1 0 302.212 3.251 20 10 DGCDRO C[N@H+](CCC1CCCCC1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768443245 622455996 /nfs/dbraw/zinc/45/59/96/622455996.db2.gz BVDSGYVSECKSHG-QGZVFWFLSA-N 1 0 305.418 3.220 20 10 DGCDRO COc1cc(CN2CCC([NH+]3CCCCC3)CC2)c(O)cc1C ZINC000768440648 622456003 /nfs/dbraw/zinc/45/60/03/622456003.db2.gz SOVNXYZAOQUDFQ-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO CCC1CCC([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440886 622456083 /nfs/dbraw/zinc/45/60/83/622456083.db2.gz UYJAMULCGUBTFO-AJUCZRQESA-N 1 0 305.418 3.219 20 10 DGCDRO CC1CCC([N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C2CC2)CC1 ZINC000768440464 622456206 /nfs/dbraw/zinc/45/62/06/622456206.db2.gz WMRNOYDZMWRCCB-OOKWDQIISA-N 1 0 317.429 3.361 20 10 DGCDRO CCC1CCC([N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768440888 622456365 /nfs/dbraw/zinc/45/63/65/622456365.db2.gz UYJAMULCGUBTFO-MKTAYPAQSA-N 1 0 305.418 3.219 20 10 DGCDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768446242 622456750 /nfs/dbraw/zinc/45/67/50/622456750.db2.gz LROPACMFOGHOBO-YOEHRIQHSA-N 1 0 319.445 3.466 20 10 DGCDRO C[C@@H](C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)c1ccccc1 ZINC000768449048 622456771 /nfs/dbraw/zinc/45/67/71/622456771.db2.gz DARQYBBEQLIJHF-UGSOOPFHSA-N 1 0 313.397 3.054 20 10 DGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(C)cc2O)C1(C)C ZINC000768445647 622457128 /nfs/dbraw/zinc/45/71/28/622457128.db2.gz HXFALVAPFCUJGB-SJORKVTESA-N 1 0 307.434 3.345 20 10 DGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(C)cc2O)C12CCC2 ZINC000768461934 622457684 /nfs/dbraw/zinc/45/76/84/622457684.db2.gz HQVFRXNYLMAXRV-ZWKOTPCHSA-N 1 0 319.445 3.489 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1c1ccccc1 ZINC000768465608 622457943 /nfs/dbraw/zinc/45/79/43/622457943.db2.gz IVPKJZBORJKJBV-LWLIDHTLSA-N 1 0 311.381 3.011 20 10 DGCDRO COc1cc(CN2CC[NH+](C3CCCCC3)CC2)c(O)cc1C ZINC000768463365 622457967 /nfs/dbraw/zinc/45/79/67/622457967.db2.gz SCPPKCTXRLOJNR-UHFFFAOYSA-N 1 0 318.461 3.160 20 10 DGCDRO COc1cc(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c(O)cc1C ZINC000768464892 622458176 /nfs/dbraw/zinc/45/81/76/622458176.db2.gz BYYIQSBONMXTDO-SJLPKXTDSA-N 1 0 307.434 3.345 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)cc1F ZINC000768515370 622461098 /nfs/dbraw/zinc/46/10/98/622461098.db2.gz CAMWETQOMIEWQO-AWEZNQCLSA-N 1 0 318.440 3.126 20 10 DGCDRO C[C@](O)(C1CC[NH+](Cc2cc(F)ccc2O)CC1)C(F)(F)F ZINC000768533986 622463002 /nfs/dbraw/zinc/46/30/02/622463002.db2.gz XGJGYOUSUDZSRR-AWEZNQCLSA-N 1 0 321.314 3.057 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCOC1 ZINC000768542186 622463223 /nfs/dbraw/zinc/46/32/23/622463223.db2.gz OHHMBKMNSDTTGB-OAHLLOKOSA-N 1 0 301.386 3.414 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(N(C)C)cc1 ZINC000768840608 622480210 /nfs/dbraw/zinc/48/02/10/622480210.db2.gz GEYFIHMLWAIKQU-BEFAXECRSA-N 1 0 316.445 3.238 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c1 ZINC000768878545 622482872 /nfs/dbraw/zinc/48/28/72/622482872.db2.gz QRJPTNVWMXBKEY-HNNXBMFYSA-N 1 0 302.374 3.424 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000769148837 622502399 /nfs/dbraw/zinc/50/23/99/622502399.db2.gz TZAABFBNTMGVMA-AWEZNQCLSA-N 1 0 320.433 3.142 20 10 DGCDRO CCOc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c(O)c1 ZINC000769234624 622509317 /nfs/dbraw/zinc/50/93/17/622509317.db2.gz XJXYVPOCDKHKJR-QGZVFWFLSA-N 1 0 318.461 3.241 20 10 DGCDRO CCOc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c(O)c1 ZINC000769234621 622509597 /nfs/dbraw/zinc/50/95/97/622509597.db2.gz XJXYVPOCDKHKJR-KRWDZBQOSA-N 1 0 318.461 3.241 20 10 DGCDRO COC(=O)C(C)(C)N(C)Cc1cc(-c2ccccc2)ccc1O ZINC000769306926 622515805 /nfs/dbraw/zinc/51/58/05/622515805.db2.gz VSMJEHPTJLHXJG-UHFFFAOYSA-N 1 0 313.397 3.443 20 10 DGCDRO COc1cccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1O ZINC000769318307 622517216 /nfs/dbraw/zinc/51/72/16/622517216.db2.gz UHLHTGASZNJMLF-GOSISDBHSA-N 1 0 313.397 3.364 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870856880 622518871 /nfs/dbraw/zinc/51/88/71/622518871.db2.gz PBTXXFFMTRHWLX-CALCHBBNSA-N 1 0 317.477 3.009 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1F ZINC000769450175 622528762 /nfs/dbraw/zinc/52/87/62/622528762.db2.gz BNBMONLTGRYSIF-HOCLYGCPSA-N 1 0 308.441 3.407 20 10 DGCDRO C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1ccccc1O ZINC000870988768 622531416 /nfs/dbraw/zinc/53/14/16/622531416.db2.gz ZBHDDGBZSPKKQN-GUYCJALGSA-N 1 0 312.413 3.296 20 10 DGCDRO CCOc1cccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1O ZINC000769479900 622532176 /nfs/dbraw/zinc/53/21/76/622532176.db2.gz JZQWVLYQIDCHSB-UHFFFAOYSA-N 1 0 323.396 3.267 20 10 DGCDRO Oc1cccc(Cl)c1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000769513682 622536824 /nfs/dbraw/zinc/53/68/24/622536824.db2.gz FZNRTWXEAUUPQM-CYBMUJFWSA-N 1 0 323.742 3.181 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000769528291 622538102 /nfs/dbraw/zinc/53/81/02/622538102.db2.gz UGYCSZYBEPHQFN-OAHLLOKOSA-N 1 0 305.418 3.397 20 10 DGCDRO CCCOC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769664506 622547800 /nfs/dbraw/zinc/54/78/00/622547800.db2.gz FWHPPXPDOMQMHF-UHFFFAOYSA-N 1 0 314.429 3.361 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCSCC(F)(F)F)cc1F ZINC000769691812 622550187 /nfs/dbraw/zinc/55/01/87/622550187.db2.gz VUVKYRSINNRBPI-UHFFFAOYSA-N 1 0 310.360 3.277 20 10 DGCDRO CCN(C)C(=O)CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000769933776 622579098 /nfs/dbraw/zinc/57/90/98/622579098.db2.gz NXGKXRPFMPTORJ-UHFFFAOYSA-N 1 0 304.434 3.005 20 10 DGCDRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1O ZINC000770504545 622640263 /nfs/dbraw/zinc/64/02/63/622640263.db2.gz IZLISEHPMQFEJR-KBPBESRZSA-N 1 0 320.433 3.127 20 10 DGCDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000770505343 622640338 /nfs/dbraw/zinc/64/03/38/622640338.db2.gz QTRDILGUNDVUEJ-AWEZNQCLSA-N 1 0 305.418 3.336 20 10 DGCDRO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc2c(cc1O)CCCC2 ZINC000872111641 622813955 /nfs/dbraw/zinc/81/39/55/622813955.db2.gz FLPQNRVPWWAUIA-KBPBESRZSA-N 1 0 317.429 3.265 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000872125798 622821636 /nfs/dbraw/zinc/82/16/36/622821636.db2.gz DVPZRRKAWPBFMG-GPMSIDNRSA-N 1 0 302.462 3.489 20 10 DGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000772160573 622858810 /nfs/dbraw/zinc/85/88/10/622858810.db2.gz OADMUDGNSUSUGP-OAHLLOKOSA-N 1 0 317.477 3.070 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872259888 622869711 /nfs/dbraw/zinc/86/97/11/622869711.db2.gz CQVZPWVRKXKNPR-HNNXBMFYSA-N 1 0 305.418 3.324 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000772957885 622957342 /nfs/dbraw/zinc/95/73/42/622957342.db2.gz INVGFRKNQSUHRR-INIZCTEOSA-N 1 0 305.466 3.098 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000772983789 622961066 /nfs/dbraw/zinc/96/10/66/622961066.db2.gz LYPHNHBOMIUWLU-HNNXBMFYSA-N 1 0 303.789 3.311 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000773103835 622984084 /nfs/dbraw/zinc/98/40/84/622984084.db2.gz LTIIGNWMGMEGLJ-CRAIPNDOSA-N 1 0 302.462 3.489 20 10 DGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000773327874 623012337 /nfs/dbraw/zinc/01/23/37/623012337.db2.gz RNBQAZZLDABEKY-LJQANCHMSA-N 1 0 319.445 3.420 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccoc2C)cc1Cn1cccn1 ZINC000873020136 623018514 /nfs/dbraw/zinc/01/85/14/623018514.db2.gz GUKPSOJSXPEAQM-UHFFFAOYSA-N 1 0 311.385 3.131 20 10 DGCDRO COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1Cn1cccn1 ZINC000873024687 623020304 /nfs/dbraw/zinc/02/03/04/623020304.db2.gz YWEUAAUCDJPMQQ-UHFFFAOYSA-N 1 0 311.429 3.218 20 10 DGCDRO O[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000873177895 623062752 /nfs/dbraw/zinc/06/27/52/623062752.db2.gz BRHDBZAIGVBZAK-KESTWPANSA-N 1 0 322.452 3.110 20 10 DGCDRO COc1ccc(N(C)Cc2cc3c(s2)CC[NH2+]C3)cc1OC ZINC000873209342 623075404 /nfs/dbraw/zinc/07/54/04/623075404.db2.gz KOMAMWMCFBNZGX-UHFFFAOYSA-N 1 0 318.442 3.047 20 10 DGCDRO C[C@@H]([NH2+]CCCCC1(C)OCCO1)c1ccc(N(C)C)cc1 ZINC000774383947 623138141 /nfs/dbraw/zinc/13/81/41/623138141.db2.gz MZLCXTXRSGJKSK-OAHLLOKOSA-N 1 0 306.450 3.337 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)cc1 ZINC000774467946 623149194 /nfs/dbraw/zinc/14/91/94/623149194.db2.gz FYLYALPERMOXBP-QAPCUYQASA-N 1 0 318.461 3.479 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC000774471177 623149650 /nfs/dbraw/zinc/14/96/50/623149650.db2.gz KUPJGKCYAWMLMP-MSOLQXFVSA-N 1 0 318.461 3.479 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCC(C)CC1 ZINC000774483383 623151469 /nfs/dbraw/zinc/15/14/69/623151469.db2.gz KEFFLRHSIQTKHT-JKSUJKDBSA-N 1 0 317.477 3.050 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)CC3CCOCC3)c2c1 ZINC000124669644 623212223 /nfs/dbraw/zinc/21/22/23/623212223.db2.gz AHQNDWUFQDNSDB-UHFFFAOYSA-N 1 0 315.413 3.412 20 10 DGCDRO CCCN(Cc1ccccc1-n1cncn1)c1ccc(C[NH3+])cc1 ZINC000775141029 623235045 /nfs/dbraw/zinc/23/50/45/623235045.db2.gz UREWWTCPHROZPO-UHFFFAOYSA-N 1 0 321.428 3.143 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1O ZINC000775156785 623235934 /nfs/dbraw/zinc/23/59/34/623235934.db2.gz HMJGIPUUEYAXJU-INIZCTEOSA-N 1 0 308.853 3.461 20 10 DGCDRO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000775204417 623241065 /nfs/dbraw/zinc/24/10/65/623241065.db2.gz QGCJEBNNMWZIKG-CQSZACIVSA-N 1 0 313.397 3.492 20 10 DGCDRO C[C@H]([NH2+]CCCOC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000775258237 623246404 /nfs/dbraw/zinc/24/64/04/623246404.db2.gz VBGIGYCXQADBPO-INIZCTEOSA-N 1 0 320.477 3.379 20 10 DGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC000775374138 623261412 /nfs/dbraw/zinc/26/14/12/623261412.db2.gz HNAUPWNBOXHWIX-GOSISDBHSA-N 1 0 307.434 3.461 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000775376332 623261947 /nfs/dbraw/zinc/26/19/47/623261947.db2.gz SWFDPXDASBDISW-SNVBAGLBSA-N 1 0 320.320 3.299 20 10 DGCDRO CC[C@@H]([NH2+]CCCOCCOC)c1cc(Cl)ccc1O ZINC000775484697 623279252 /nfs/dbraw/zinc/27/92/52/623279252.db2.gz HNJKOWJCMPTJFC-CQSZACIVSA-N 1 0 301.814 3.139 20 10 DGCDRO CC[C@@H]([NH2+]CCCN1CCCCC1=O)c1cc(Cl)ccc1O ZINC000775502873 623281641 /nfs/dbraw/zinc/28/16/41/623281641.db2.gz XKJQSRXPBJHFET-OAHLLOKOSA-N 1 0 324.852 3.489 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(Cl)ccc1O ZINC000775513254 623282185 /nfs/dbraw/zinc/28/21/85/623282185.db2.gz OXYMZPRANKHPLS-TZMCWYRMSA-N 1 0 305.809 3.367 20 10 DGCDRO CC[C@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)c1ccccc1O ZINC000775525834 623284785 /nfs/dbraw/zinc/28/47/85/623284785.db2.gz ODVWRKWAOUPCAZ-PBHICJAKSA-N 1 0 313.397 3.445 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc(Cl)ccc1O ZINC000775527766 623285157 /nfs/dbraw/zinc/28/51/57/623285157.db2.gz UMXVATQIYICFHB-MMMKDXCPSA-N 1 0 322.836 3.096 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000775658219 623306200 /nfs/dbraw/zinc/30/62/00/623306200.db2.gz HNQWNJJTBRDONC-SFHVURJKSA-N 1 0 313.397 3.444 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c1 ZINC000775740553 623322497 /nfs/dbraw/zinc/32/24/97/623322497.db2.gz OBKGHFFBPHAGCQ-BFUOFWGJSA-N 1 0 313.397 3.225 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]2C(C)C)c1O ZINC000775765774 623328117 /nfs/dbraw/zinc/32/81/17/623328117.db2.gz RFPCIXYWHJZALY-LBPRGKRZSA-N 1 0 314.223 3.394 20 10 DGCDRO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775837457 623339628 /nfs/dbraw/zinc/33/96/28/623339628.db2.gz SRCBKJJVHOJDGK-JKSUJKDBSA-N 1 0 319.493 3.296 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1OC ZINC000776024895 623366334 /nfs/dbraw/zinc/36/63/34/623366334.db2.gz ZLJUZWPLYGTPJE-SMDDNHRTSA-N 1 0 317.385 3.416 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc3ccccc3n2)c1 ZINC000776151826 623382963 /nfs/dbraw/zinc/38/29/63/623382963.db2.gz WHMVGJAFCRGCFS-UHFFFAOYSA-N 1 0 308.381 3.281 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC000776156598 623384650 /nfs/dbraw/zinc/38/46/50/623384650.db2.gz LUCQJVYAWGSTQX-MSOLQXFVSA-N 1 0 302.462 3.498 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1N(C)C ZINC000776163454 623386599 /nfs/dbraw/zinc/38/65/99/623386599.db2.gz BKMZXOQMMFEQAI-NXHRZFHOSA-N 1 0 300.446 3.108 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1N(C)C ZINC000776163398 623386665 /nfs/dbraw/zinc/38/66/65/623386665.db2.gz AOEHKTQNGPCXEB-QRQLOZEOSA-N 1 0 314.473 3.498 20 10 DGCDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776174062 623390157 /nfs/dbraw/zinc/39/01/57/623390157.db2.gz GFVCSGLGHOILGE-CQSZACIVSA-N 1 0 316.239 3.104 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)C12CCCC2 ZINC000776224261 623399519 /nfs/dbraw/zinc/39/95/19/623399519.db2.gz RQRHYIKPLUYCCL-DLBZAZTESA-N 1 0 305.418 3.228 20 10 DGCDRO COCCC(C)(C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776229752 623400015 /nfs/dbraw/zinc/40/00/15/623400015.db2.gz CRAQANSPMXYXQP-UHFFFAOYSA-N 1 0 316.239 3.368 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000776231155 623400190 /nfs/dbraw/zinc/40/01/90/623400190.db2.gz NLTBDZFXMXAPHR-XEKQOVJPSA-N 1 0 313.397 3.444 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1O ZINC000776778947 623462459 /nfs/dbraw/zinc/46/24/59/623462459.db2.gz YWPQORAVVHDMJN-INIZCTEOSA-N 1 0 305.418 3.100 20 10 DGCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(C)ccc2O)C1 ZINC000776806067 623465765 /nfs/dbraw/zinc/46/57/65/623465765.db2.gz BPAMQSHTLTYZQH-HUUCEWRRSA-N 1 0 320.433 3.047 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@]2(C)CCCOC2)c1O ZINC000777507901 623532370 /nfs/dbraw/zinc/53/23/70/623532370.db2.gz RWZQZSMGUHBGAV-CQSZACIVSA-N 1 0 314.223 3.122 20 10 DGCDRO NC(=O)c1coc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000778200849 623624078 /nfs/dbraw/zinc/62/40/78/623624078.db2.gz AOAOMYGQYPDYRH-UHFFFAOYSA-N 1 0 322.364 3.041 20 10 DGCDRO CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506901 623630110 /nfs/dbraw/zinc/63/01/10/623630110.db2.gz QHHOEUKIHYBZOQ-JLSDUUJJSA-N 1 0 317.477 3.085 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(=O)[nH]c1 ZINC000876511718 623631329 /nfs/dbraw/zinc/63/13/29/623631329.db2.gz SZTRYCPNBYWNOD-UHFFFAOYSA-N 1 0 311.429 3.410 20 10 DGCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(O)c1 ZINC000876512512 623631382 /nfs/dbraw/zinc/63/13/82/623631382.db2.gz QLKWRJYKJZRXEO-HNNXBMFYSA-N 1 0 322.412 3.474 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)nn1 ZINC000876522626 623633234 /nfs/dbraw/zinc/63/32/34/623633234.db2.gz XQGJBFSUEACPGL-UHFFFAOYSA-N 1 0 304.825 3.218 20 10 DGCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)sn1 ZINC000876531353 623635706 /nfs/dbraw/zinc/63/57/06/623635706.db2.gz DABCFQKPSSZOLD-HNNXBMFYSA-N 1 0 318.442 3.338 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c(O)c1 ZINC000876557568 623643655 /nfs/dbraw/zinc/64/36/55/623643655.db2.gz ZJTYJXXGUDALLH-UHFFFAOYSA-N 1 0 324.424 3.095 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000876595744 623655754 /nfs/dbraw/zinc/65/57/54/623655754.db2.gz JUSUQPSQWSHPGK-UHFFFAOYSA-N 1 0 324.424 3.049 20 10 DGCDRO Cc1ccc2nc(C[NH2+]CCCSc3nccs3)cn2c1 ZINC000790544819 625668276 /nfs/dbraw/zinc/66/82/76/625668276.db2.gz RQYXNDWHKCRIAM-UHFFFAOYSA-N 1 0 318.471 3.371 20 10 DGCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876621501 623661994 /nfs/dbraw/zinc/66/19/94/623661994.db2.gz AOADSIYXDIOSOO-UHFFFAOYSA-N 1 0 318.461 3.171 20 10 DGCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876621703 623662318 /nfs/dbraw/zinc/66/23/18/623662318.db2.gz GBNHJOFHAOIEMS-UHFFFAOYSA-N 1 0 318.461 3.171 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000876638031 623667057 /nfs/dbraw/zinc/66/70/57/623667057.db2.gz ABQQTDCBXWONEF-XLIONFOSSA-N 1 0 314.473 3.412 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC000876657802 623672403 /nfs/dbraw/zinc/67/24/03/623672403.db2.gz RRKYMOUGSWJMOR-HZPDHXFCSA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000876682749 623681188 /nfs/dbraw/zinc/68/11/88/623681188.db2.gz OBDGDFRGXJLKSE-GOSISDBHSA-N 1 0 301.361 3.413 20 10 DGCDRO Cc1ccc2nc(C[NH2+]Cc3ccc(N(C)C)cc3C)cn2c1 ZINC000790545930 625667961 /nfs/dbraw/zinc/66/79/61/625667961.db2.gz XZNQLCRTPDCPAF-UHFFFAOYSA-N 1 0 308.429 3.307 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000778999808 623719176 /nfs/dbraw/zinc/71/91/76/623719176.db2.gz KQGMQSMBDMOQRV-GFCCVEGCSA-N 1 0 307.287 3.075 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)CN1Cc1ccccc1 ZINC000779020829 623721265 /nfs/dbraw/zinc/72/12/65/623721265.db2.gz TZOSVQYUXDSHTM-IRXDYDNUSA-N 1 0 310.441 3.487 20 10 DGCDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779029613 623722940 /nfs/dbraw/zinc/72/29/40/623722940.db2.gz QNZFEGQRTDAALU-CYBMUJFWSA-N 1 0 323.408 3.475 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000779041649 623723600 /nfs/dbraw/zinc/72/36/00/623723600.db2.gz WRWPPQMPAGQTME-ZJUUUORDSA-N 1 0 316.239 3.273 20 10 DGCDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(F)ccc1O ZINC000779035402 623723809 /nfs/dbraw/zinc/72/38/09/623723809.db2.gz ZJAZMWONOHSJQV-XIKOKIGWSA-N 1 0 301.361 3.355 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc2c(cc1O)CCCC2 ZINC000779065652 623726654 /nfs/dbraw/zinc/72/66/54/623726654.db2.gz NIIHTIUEYCAFNR-CZUORRHYSA-N 1 0 311.429 3.133 20 10 DGCDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000779106332 623729789 /nfs/dbraw/zinc/72/97/89/623729789.db2.gz NLQTVVRNXMLRAA-XIKOKIGWSA-N 1 0 319.376 3.406 20 10 DGCDRO C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000876933210 623747663 /nfs/dbraw/zinc/74/76/63/623747663.db2.gz IZUKYWZEEIBNKP-ZDUSSCGKSA-N 1 0 312.404 3.272 20 10 DGCDRO C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876933261 623747682 /nfs/dbraw/zinc/74/76/82/623747682.db2.gz KOLGYOIMCMBHMF-ZDUSSCGKSA-N 1 0 312.404 3.415 20 10 DGCDRO COc1ccc(CCC[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000876985952 623759839 /nfs/dbraw/zinc/75/98/39/623759839.db2.gz XYKPLUFIZYJSIG-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1(C(=O)OC)CCC1 ZINC000779341734 623761348 /nfs/dbraw/zinc/76/13/48/623761348.db2.gz PRFLEVBKAPLSRA-MRXNPFEDSA-N 1 0 322.424 3.103 20 10 DGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000779343838 623762136 /nfs/dbraw/zinc/76/21/36/623762136.db2.gz CBPCSDPWNZKUHS-AWEZNQCLSA-N 1 0 318.461 3.279 20 10 DGCDRO COc1ccccc1OCCC[NH2+]Cc1ccc(C)cc1O ZINC000877010679 623765628 /nfs/dbraw/zinc/76/56/28/623765628.db2.gz HDSNCKPUNHMJNS-UHFFFAOYSA-N 1 0 301.386 3.268 20 10 DGCDRO CC(C)(C)SCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877016484 623766565 /nfs/dbraw/zinc/76/65/65/623766565.db2.gz GTATXSAGPKJGMR-UHFFFAOYSA-N 1 0 322.518 3.269 20 10 DGCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000779605428 623781157 /nfs/dbraw/zinc/78/11/57/623781157.db2.gz SDTCSLUYLCZJAL-MRXNPFEDSA-N 1 0 318.461 3.164 20 10 DGCDRO Cc1cc(C)[nH+]c(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877114786 623793975 /nfs/dbraw/zinc/79/39/75/623793975.db2.gz BLKDFRUPHYBYJQ-UHFFFAOYSA-N 1 0 311.429 3.272 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000877130945 623799791 /nfs/dbraw/zinc/79/97/91/623799791.db2.gz VJPIMHFCFJGBIU-INIZCTEOSA-N 1 0 309.768 3.316 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000877189325 623822393 /nfs/dbraw/zinc/82/23/93/623822393.db2.gz MKWRILKFOFTHNQ-TZMCWYRMSA-N 1 0 324.415 3.413 20 10 DGCDRO Cc1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)sn1 ZINC000877342691 623855616 /nfs/dbraw/zinc/85/56/16/623855616.db2.gz PYCOLAHKFACPSU-UHFFFAOYSA-N 1 0 305.447 3.028 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000877380381 623863584 /nfs/dbraw/zinc/86/35/84/623863584.db2.gz IPNPTWBYAFTCRU-CQSZACIVSA-N 1 0 317.458 3.036 20 10 DGCDRO CCOc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1O ZINC000126490265 623863718 /nfs/dbraw/zinc/86/37/18/623863718.db2.gz AZLCCJKXSBVOJI-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO C[C@@H]1CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877408687 623872858 /nfs/dbraw/zinc/87/28/58/623872858.db2.gz QGRKOLMQOMQOBG-MRXNPFEDSA-N 1 0 302.462 3.270 20 10 DGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877413925 623874696 /nfs/dbraw/zinc/87/46/96/623874696.db2.gz UANNOJGDJOUDET-HNAYVOBHSA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c(O)c1 ZINC000877482453 623904341 /nfs/dbraw/zinc/90/43/41/623904341.db2.gz JBZFPTYPSUVLAN-INIZCTEOSA-N 1 0 309.768 3.316 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000877482057 623904657 /nfs/dbraw/zinc/90/46/57/623904657.db2.gz BLDUNSRZFFUQFF-INIZCTEOSA-N 1 0 309.768 3.316 20 10 DGCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877508671 623917166 /nfs/dbraw/zinc/91/71/66/623917166.db2.gz BSWLISYRYSZFJN-GOSISDBHSA-N 1 0 314.429 3.102 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)c1O ZINC000877525622 623924186 /nfs/dbraw/zinc/92/41/86/623924186.db2.gz JOJIZRLNOWHFNA-SCLBCKFNSA-N 1 0 301.386 3.267 20 10 DGCDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877527384 623924656 /nfs/dbraw/zinc/92/46/56/623924656.db2.gz KXLNPXPWHLVRBV-MRXNPFEDSA-N 1 0 316.401 3.097 20 10 DGCDRO CCOc1cc(F)cc(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000877525380 623924961 /nfs/dbraw/zinc/92/49/61/623924961.db2.gz BFBADAYYIJWWEA-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cnc(C)nc2C)c1 ZINC000877532044 623926922 /nfs/dbraw/zinc/92/69/22/623926922.db2.gz BYHHNRNRMUCTNS-WDEREUQCSA-N 1 0 301.390 3.219 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2ccnc(OC)c2)c1 ZINC000877533382 623928906 /nfs/dbraw/zinc/92/89/06/623928906.db2.gz NUYUBUJZRBDJFH-STQMWFEESA-N 1 0 316.401 3.086 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000877542683 623935239 /nfs/dbraw/zinc/93/52/39/623935239.db2.gz VGOYNLDQCICTFZ-HNNXBMFYSA-N 1 0 314.404 3.456 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000877545328 623936129 /nfs/dbraw/zinc/93/61/29/623936129.db2.gz FWUMHPAXPXIIJC-CQSZACIVSA-N 1 0 300.377 3.208 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000877562212 623942388 /nfs/dbraw/zinc/94/23/88/623942388.db2.gz XFTMYGILLVNLQX-CHWSQXEVSA-N 1 0 308.422 3.092 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc(C)cc1O)NC(=O)OC(C)(C)C ZINC000877561896 623942446 /nfs/dbraw/zinc/94/24/46/623942446.db2.gz MYGLXOYRHGTHBF-CQSZACIVSA-N 1 0 308.422 3.094 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000877562215 623942604 /nfs/dbraw/zinc/94/26/04/623942604.db2.gz XFTMYGILLVNLQX-STQMWFEESA-N 1 0 308.422 3.092 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(OCCOC(C)C)CC1 ZINC000877575282 623949096 /nfs/dbraw/zinc/94/90/96/623949096.db2.gz MVKNSQCCRUGFJT-UHFFFAOYSA-N 1 0 307.434 3.107 20 10 DGCDRO Cc1ccc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC000877577585 623950352 /nfs/dbraw/zinc/95/03/52/623950352.db2.gz YVPLFNKRHHAXNM-UHFFFAOYSA-N 1 0 316.367 3.159 20 10 DGCDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877583568 623951749 /nfs/dbraw/zinc/95/17/49/623951749.db2.gz RXGWBMGDRDSROV-VQIMIIECSA-N 1 0 302.462 3.172 20 10 DGCDRO C[C@@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC=CCC1 ZINC000877586292 623952161 /nfs/dbraw/zinc/95/21/61/623952161.db2.gz ZMRMXSBRGUOADD-LJQANCHMSA-N 1 0 300.446 3.236 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000877592355 623954848 /nfs/dbraw/zinc/95/48/48/623954848.db2.gz GKJZIEUFARAXPB-HNNXBMFYSA-N 1 0 300.377 3.208 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000877593610 623955662 /nfs/dbraw/zinc/95/56/62/623955662.db2.gz WYAOAXWBKIRSGP-INIZCTEOSA-N 1 0 300.377 3.208 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@@H]3CC3(F)F)C2)cc1 ZINC000877598387 623957851 /nfs/dbraw/zinc/95/78/51/623957851.db2.gz MUHLNYHNCAWGCD-IOASZLSFSA-N 1 0 310.388 3.155 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000877612289 623962299 /nfs/dbraw/zinc/96/22/99/623962299.db2.gz GPFPPLLKYCWUCN-OAHLLOKOSA-N 1 0 302.805 3.478 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000877640081 623974237 /nfs/dbraw/zinc/97/42/37/623974237.db2.gz ULTHGZAXLRVKPY-NWDGAFQWSA-N 1 0 303.324 3.242 20 10 DGCDRO CCc1cccc(C[N@@H+](C)Cc2c(C)nn(CC)c2C)c1O ZINC000877664377 623983702 /nfs/dbraw/zinc/98/37/02/623983702.db2.gz PHTHEEHGBLGNKJ-UHFFFAOYSA-N 1 0 301.434 3.420 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000877672381 623986024 /nfs/dbraw/zinc/98/60/24/623986024.db2.gz DBUJPXMLHMEFID-IAGOWNOFSA-N 1 0 313.397 3.099 20 10 DGCDRO COc1cccc(C[NH+]2CCC(Cc3nccs3)CC2)c1O ZINC000877673983 623986673 /nfs/dbraw/zinc/98/66/73/623986673.db2.gz KTABAWMLEGCVPH-UHFFFAOYSA-N 1 0 318.442 3.312 20 10 DGCDRO CN(C)c1ccc(CN2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000877674580 623987742 /nfs/dbraw/zinc/98/77/42/623987742.db2.gz SFYMLKSTCXIZQQ-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)cc1 ZINC000877715872 624003367 /nfs/dbraw/zinc/00/33/67/624003367.db2.gz KZWDVSIIAWYPGB-LJQANCHMSA-N 1 0 322.456 3.132 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C[C@@H]1C ZINC000877755517 624021687 /nfs/dbraw/zinc/02/16/87/624021687.db2.gz CZOWFVNGMCHQJQ-LJISPDSOSA-N 1 0 305.418 3.411 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccccc1O ZINC000877757123 624023366 /nfs/dbraw/zinc/02/33/66/624023366.db2.gz ICFXUIDXHGFIQV-ZDUSSCGKSA-N 1 0 310.397 3.135 20 10 DGCDRO CCc1oc(C[NH2+][C@@H](C)c2ccccc2O)cc1C(=O)OC ZINC000877758068 624023932 /nfs/dbraw/zinc/02/39/32/624023932.db2.gz HSALYFAFVYHNNZ-NSHDSACASA-N 1 0 303.358 3.185 20 10 DGCDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000877777981 624033694 /nfs/dbraw/zinc/03/36/94/624033694.db2.gz HZESOYBDNAYMRR-MFKMUULPSA-N 1 0 316.239 3.102 20 10 DGCDRO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000877816296 624047994 /nfs/dbraw/zinc/04/79/94/624047994.db2.gz AYRMFGPDPPDSFI-UHFFFAOYSA-N 1 0 323.440 3.269 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)cc1OC ZINC000781585830 624099331 /nfs/dbraw/zinc/09/93/31/624099331.db2.gz IRBAAXNLECOQIY-FZKQIMNGSA-N 1 0 305.418 3.422 20 10 DGCDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000781895918 624166727 /nfs/dbraw/zinc/16/67/27/624166727.db2.gz YWWIQCGKXXFBGE-CYBMUJFWSA-N 1 0 310.397 3.431 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000781901410 624168165 /nfs/dbraw/zinc/16/81/65/624168165.db2.gz SIKUZARRVQCHJO-UHFFFAOYSA-N 1 0 313.445 3.405 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878150855 624190646 /nfs/dbraw/zinc/19/06/46/624190646.db2.gz JQVLQIBRIAQAEO-KRWDZBQOSA-N 1 0 319.445 3.190 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c1O ZINC000782286041 624233057 /nfs/dbraw/zinc/23/30/57/624233057.db2.gz BPXGKVOGYFGZFT-CQSZACIVSA-N 1 0 313.397 3.492 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)CC1(O)CCCC1 ZINC000878565534 624309668 /nfs/dbraw/zinc/30/96/68/624309668.db2.gz OWVBHDUPHGPETN-QGZVFWFLSA-N 1 0 321.461 3.050 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCc3c(cccc3OC)C2)c(O)c1 ZINC000783594283 624372446 /nfs/dbraw/zinc/37/24/46/624372446.db2.gz FPYSEGQYTRLPAX-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](CC(F)(F)F)C(C)C)cc1OC ZINC000783740675 624389512 /nfs/dbraw/zinc/38/95/12/624389512.db2.gz KNTPLFSTHOHVTL-LLVKDONJSA-N 1 0 321.339 3.476 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)n1 ZINC000784265521 624468073 /nfs/dbraw/zinc/46/80/73/624468073.db2.gz KLVCZJQENBEDLY-GFCCVEGCSA-N 1 0 302.374 3.045 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000879648513 624621141 /nfs/dbraw/zinc/62/11/41/624621141.db2.gz RRZVNLWXYBDNPS-LZWOXQAQSA-N 1 0 304.434 3.080 20 10 DGCDRO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)c1ccccc1O ZINC000879648175 624621303 /nfs/dbraw/zinc/62/13/03/624621303.db2.gz BRKDCHWABNZWGH-LLVKDONJSA-N 1 0 303.358 3.185 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccccc1O ZINC000879648164 624621410 /nfs/dbraw/zinc/62/14/10/624621410.db2.gz AOTGOOWKNDMBML-MNOVXSKESA-N 1 0 319.792 3.118 20 10 DGCDRO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1O ZINC000879648236 624621539 /nfs/dbraw/zinc/62/15/39/624621539.db2.gz FYEMOLAMTREINZ-ACJLOTCBSA-N 1 0 310.397 3.063 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1O ZINC000879649165 624622718 /nfs/dbraw/zinc/62/27/18/624622718.db2.gz KBBIKOKXJJCUHR-HZPDHXFCSA-N 1 0 324.424 3.205 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CCCCC2)C(=O)O1)c1ccccc1O ZINC000879650311 624624049 /nfs/dbraw/zinc/62/40/49/624624049.db2.gz SVNGJWLTQYWAIL-UKRRQHHQSA-N 1 0 318.417 3.196 20 10 DGCDRO C[C@H]([NH2+]CCCn1c(=O)[nH]c2ccccc21)c1ccccc1O ZINC000879651438 624624323 /nfs/dbraw/zinc/62/43/23/624624323.db2.gz VRVPXJXFDFDJLE-ZDUSSCGKSA-N 1 0 311.385 3.188 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1CCCc2ccccc21 ZINC000879652008 624624535 /nfs/dbraw/zinc/62/45/35/624624535.db2.gz SWXCBDMROIEUPZ-LSDHHAIUSA-N 1 0 324.424 3.411 20 10 DGCDRO C[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1ccccc1O ZINC000879650999 624624569 /nfs/dbraw/zinc/62/45/69/624624569.db2.gz CSROGGQQFUJDBS-HNNXBMFYSA-N 1 0 324.424 3.238 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1CCc2ccccc2C1 ZINC000879652375 624626786 /nfs/dbraw/zinc/62/67/86/624626786.db2.gz ZMQJLCVOWTUUQA-GJZGRUSLSA-N 1 0 324.424 3.016 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000879653989 624626863 /nfs/dbraw/zinc/62/68/63/624626863.db2.gz ZXCQMSJMXKTYFX-AJNGGQMLSA-N 1 0 304.434 3.221 20 10 DGCDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000786169137 624817037 /nfs/dbraw/zinc/81/70/37/624817037.db2.gz QVHXPKSPUUHHNM-KBPBESRZSA-N 1 0 321.421 3.098 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](CF)C3)cc2)CC1 ZINC000880299125 624902475 /nfs/dbraw/zinc/90/24/75/624902475.db2.gz CZKOHJRADJDECD-INIZCTEOSA-N 1 0 306.425 3.093 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCCOC1 ZINC000880467221 624963388 /nfs/dbraw/zinc/96/33/88/624963388.db2.gz YNZVBDCOELIXND-BLLLJJGKSA-N 1 0 309.381 3.029 20 10 DGCDRO Cc1cc(CN2CCC(C)([NH+]3CCC3)CC2)ccc1N(C)C ZINC000880474504 624964330 /nfs/dbraw/zinc/96/43/30/624964330.db2.gz IRBWNCZLIHRWCZ-UHFFFAOYSA-N 1 0 301.478 3.121 20 10 DGCDRO CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)c1ccnn1C ZINC000788257567 625105451 /nfs/dbraw/zinc/10/54/51/625105451.db2.gz AHHXEVZGESLKGL-DOMZBBRYSA-N 1 0 305.397 3.355 20 10 DGCDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788521793 625205715 /nfs/dbraw/zinc/20/57/15/625205715.db2.gz YPPOQHHHJGPPNU-CQSZACIVSA-N 1 0 312.413 3.219 20 10 DGCDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000788543035 625212826 /nfs/dbraw/zinc/21/28/26/625212826.db2.gz RNJMYVXGXXLZIP-AWEZNQCLSA-N 1 0 308.491 3.143 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2csc(N(C)C)n2)c(O)c1 ZINC000788607693 625227622 /nfs/dbraw/zinc/22/76/22/625227622.db2.gz CBSJVBWETBVAMK-LBPRGKRZSA-N 1 0 305.447 3.382 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000788627825 625231321 /nfs/dbraw/zinc/23/13/21/625231321.db2.gz MXRFHKSWSGANFG-CYBMUJFWSA-N 1 0 320.433 3.279 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c(O)c1 ZINC000788736910 625255409 /nfs/dbraw/zinc/25/54/09/625255409.db2.gz GYTGGXIJSYUSKM-AWEZNQCLSA-N 1 0 324.424 3.146 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC3(OC)CCCC3)CC2)cc1 ZINC000790955783 625721915 /nfs/dbraw/zinc/72/19/15/625721915.db2.gz YYOPLYVNGYJGTE-UHFFFAOYSA-N 1 0 318.461 3.213 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(O)c1 ZINC000791000405 625734406 /nfs/dbraw/zinc/73/44/06/625734406.db2.gz USKYTQSNPUSLOA-UHFFFAOYSA-N 1 0 316.357 3.297 20 10 DGCDRO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882877764 625841057 /nfs/dbraw/zinc/84/10/57/625841057.db2.gz DATZDHGCSFCAST-LBPRGKRZSA-N 1 0 300.393 3.271 20 10 DGCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883122743 625933620 /nfs/dbraw/zinc/93/36/20/625933620.db2.gz YKGHINVSVPVUJI-HTQZYQBOSA-N 1 0 322.630 3.321 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@](C)(O)c1ccccc1 ZINC000883157945 625945992 /nfs/dbraw/zinc/94/59/92/625945992.db2.gz PHDVRSFOWDYLNR-APPDUMDISA-N 1 0 307.340 3.056 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](COC)[C@@H]2CCCOC2)cc1 ZINC000883174444 625953487 /nfs/dbraw/zinc/95/34/87/625953487.db2.gz KUDMHDSYBIXDCS-MJGOQNOKSA-N 1 0 320.477 3.064 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H]4CC[C@@H](C4)C3)cc2)CC1 ZINC000883180540 625957200 /nfs/dbraw/zinc/95/72/00/625957200.db2.gz FLHRPJRZPNPCIH-BCDXTJNWSA-N 1 0 314.473 3.316 20 10 DGCDRO C[NH+](C)CCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796258720 626033033 /nfs/dbraw/zinc/03/30/33/626033033.db2.gz QDYNTJSVTLCGOY-UHFFFAOYSA-N 1 0 323.484 3.291 20 10 DGCDRO C[C@H](CCCO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796325026 626038845 /nfs/dbraw/zinc/03/88/45/626038845.db2.gz UMNNWMWXTOJAMU-QGZVFWFLSA-N 1 0 324.468 3.500 20 10 DGCDRO C[C@@H](CCCO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796325023 626038861 /nfs/dbraw/zinc/03/88/61/626038861.db2.gz UMNNWMWXTOJAMU-KRWDZBQOSA-N 1 0 324.468 3.500 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000796450017 626051206 /nfs/dbraw/zinc/05/12/06/626051206.db2.gz JEFLJFQIDGFXBV-KRWDZBQOSA-N 1 0 305.805 3.431 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000796450018 626051243 /nfs/dbraw/zinc/05/12/43/626051243.db2.gz JEFLJFQIDGFXBV-QGZVFWFLSA-N 1 0 305.805 3.431 20 10 DGCDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000796527282 626059129 /nfs/dbraw/zinc/05/91/29/626059129.db2.gz XSMSGESTKKFABW-NRFANRHFSA-N 1 0 323.845 3.214 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000797020636 626104912 /nfs/dbraw/zinc/10/49/12/626104912.db2.gz WMFNZMQCOSMQSU-SGTLLEGYSA-N 1 0 303.377 3.478 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)c1 ZINC000797057750 626109352 /nfs/dbraw/zinc/10/93/52/626109352.db2.gz BFUPQNOPWCKTKK-IQUTYRLHSA-N 1 0 315.413 3.482 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000797063260 626109788 /nfs/dbraw/zinc/10/97/88/626109788.db2.gz AWIFBLGOGRXKME-HEHGZKQESA-N 1 0 324.465 3.064 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c(O)c1 ZINC000797134654 626117364 /nfs/dbraw/zinc/11/73/64/626117364.db2.gz VJQXCGUMMNGERB-JLCFBVMHSA-N 1 0 317.454 3.430 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000798002823 626188639 /nfs/dbraw/zinc/18/86/39/626188639.db2.gz SZPQTQJSTRUDTJ-NMKXLXIOSA-N 1 0 321.392 3.401 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](CO)CC2CCCC2)c1O ZINC000798504271 626222205 /nfs/dbraw/zinc/22/22/05/626222205.db2.gz ZHPGLPPWGTVKPN-OAHLLOKOSA-N 1 0 307.434 3.069 20 10 DGCDRO COc1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1C ZINC000799343904 626293329 /nfs/dbraw/zinc/29/33/29/626293329.db2.gz OYTZUJSSHJGLEV-FQEVSTJZSA-N 1 0 311.425 3.317 20 10 DGCDRO C[C@@H]([NH2+]CCCNC(=O)/C=C/c1ccccc1)c1ccccc1O ZINC000800503881 626365166 /nfs/dbraw/zinc/36/51/66/626365166.db2.gz ALHLIFQXVHHERF-CJTWTEFWSA-N 1 0 324.424 3.263 20 10 DGCDRO COc1ccc(N2CC[NH+](CCSC(C)(C)C)CC2)cc1 ZINC000801911216 626424995 /nfs/dbraw/zinc/42/49/95/626424995.db2.gz VTSZGWDIIJOPEF-UHFFFAOYSA-N 1 0 308.491 3.349 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000839969693 626562943 /nfs/dbraw/zinc/56/29/43/626562943.db2.gz LTGUHWGPDUAFAO-HZPDHXFCSA-N 1 0 317.477 3.035 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](OCCOC)C2)cc1 ZINC000802651838 626564913 /nfs/dbraw/zinc/56/49/13/626564913.db2.gz DCZVXUIRTBZHIH-IBGZPJMESA-N 1 0 320.477 3.160 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000802656656 626565470 /nfs/dbraw/zinc/56/54/70/626565470.db2.gz NPYBILXQZVGYPS-SFHVURJKSA-N 1 0 301.361 3.472 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1C=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883246854 626622294 /nfs/dbraw/zinc/62/22/94/626622294.db2.gz UBVAQEIQVJUHOM-GJZGRUSLSA-N 1 0 304.409 3.279 20 10 DGCDRO CC1(C)C[C@@]1(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883252384 626624393 /nfs/dbraw/zinc/62/43/93/626624393.db2.gz FXGBLAFQJHKFTC-IBGZPJMESA-N 1 0 302.462 3.174 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cc(F)ccc1O ZINC000883263073 626627950 /nfs/dbraw/zinc/62/79/50/626627950.db2.gz GEFWILZLKFFQBX-DZGCQCFKSA-N 1 0 323.408 3.158 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)c(O)c1 ZINC000883276203 626633017 /nfs/dbraw/zinc/63/30/17/626633017.db2.gz HRWOJMHLKUASKO-GDBMZVCRSA-N 1 0 303.402 3.104 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccoc2)c2c1c(F)ccc2O ZINC000883276985 626633861 /nfs/dbraw/zinc/63/38/61/626633861.db2.gz SELNELLLGWSGNY-KYOSRNDESA-N 1 0 319.376 3.113 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cc(O)ccc2Cl)c1O ZINC000883324763 626647696 /nfs/dbraw/zinc/64/76/96/626647696.db2.gz CHUKZKYXCDVKAR-UHFFFAOYSA-N 1 0 307.777 3.440 20 10 DGCDRO C[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)OCCc2ccccc21 ZINC000883341693 626654028 /nfs/dbraw/zinc/65/40/28/626654028.db2.gz XRMBXODZHOHENJ-YLJYHZDGSA-N 1 0 309.409 3.457 20 10 DGCDRO O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1C1CCCCC1 ZINC000131594423 626656620 /nfs/dbraw/zinc/65/66/20/626656620.db2.gz JNLRPIVKJNOLDU-OAHLLOKOSA-N 1 0 322.836 3.069 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cc(Br)ccc1O ZINC000806170335 626704155 /nfs/dbraw/zinc/70/41/55/626704155.db2.gz YRZJAMCPQAEPLX-JUWDTYFHSA-N 1 0 306.150 3.459 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000806169949 626704179 /nfs/dbraw/zinc/70/41/79/626704179.db2.gz MQMHBKHHMNOSLU-LSDHHAIUSA-N 1 0 307.457 3.417 20 10 DGCDRO C[NH+](C)CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000132791247 626740919 /nfs/dbraw/zinc/74/09/19/626740919.db2.gz PNCGZWSEGZQMNL-UHFFFAOYSA-N 1 0 317.260 3.473 20 10 DGCDRO COC[C@@]1(C)CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840105993 626763675 /nfs/dbraw/zinc/76/36/75/626763675.db2.gz HGSNXVWNLZPVJD-SFHVURJKSA-N 1 0 307.434 3.254 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCOC3)C1)CCCC2 ZINC000840141208 626837803 /nfs/dbraw/zinc/83/78/03/626837803.db2.gz BVKYORXITNFWPZ-LJQANCHMSA-N 1 0 301.430 3.274 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(C(N)=O)c2)c1O ZINC000808674737 626848293 /nfs/dbraw/zinc/84/82/93/626848293.db2.gz XNHJUXLDUJFDQF-LLVKDONJSA-N 1 0 318.804 3.304 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)c1O ZINC000808674008 626848355 /nfs/dbraw/zinc/84/83/55/626848355.db2.gz MGANXQHQHDIYON-XHDPSFHLSA-N 1 0 318.804 3.231 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1O ZINC000808679314 626848626 /nfs/dbraw/zinc/84/86/26/626848626.db2.gz KSFNYWHHWBNIRS-NEPJUHHUSA-N 1 0 310.825 3.016 20 10 DGCDRO Cc1noc(CCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000808705217 626851930 /nfs/dbraw/zinc/85/19/30/626851930.db2.gz BJNDRIVUUYRBGY-SNVBAGLBSA-N 1 0 309.797 3.329 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000840144257 626859264 /nfs/dbraw/zinc/85/92/64/626859264.db2.gz ZOANRVONCCBQSQ-IBGZPJMESA-N 1 0 319.445 3.398 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCOC1 ZINC000809566841 626920958 /nfs/dbraw/zinc/92/09/58/626920958.db2.gz UBKUFPSSXUPYPS-HXUWFJFHSA-N 1 0 322.452 3.470 20 10 DGCDRO CC(C)(CO)[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000809656267 626933946 /nfs/dbraw/zinc/93/39/46/626933946.db2.gz YYBQPGJVSNXDRH-QGZVFWFLSA-N 1 0 303.377 3.381 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000809665495 626934765 /nfs/dbraw/zinc/93/47/65/626934765.db2.gz VBXLBXRSYJEAHY-LLVKDONJSA-N 1 0 313.825 3.037 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c(O)c1 ZINC000809700705 626938771 /nfs/dbraw/zinc/93/87/71/626938771.db2.gz MWNAIOJHIWETMY-GDBMZVCRSA-N 1 0 307.434 3.306 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000809729885 626942453 /nfs/dbraw/zinc/94/24/53/626942453.db2.gz RFLVYNVWVYRPGM-UHFFFAOYSA-N 1 0 305.761 3.122 20 10 DGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809768069 626950343 /nfs/dbraw/zinc/95/03/43/626950343.db2.gz BJICKYNCINSRST-ZBFHGGJFSA-N 1 0 306.425 3.425 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC2(COC)CCCCC2)c1 ZINC000810178069 626985140 /nfs/dbraw/zinc/98/51/40/626985140.db2.gz MHXZNCUEHFLXQI-UHFFFAOYSA-N 1 0 307.434 3.477 20 10 DGCDRO CC[C@@H]([NH2+]CCn1cccn1)c1ccc(C(F)(F)F)cc1O ZINC000810224396 626989398 /nfs/dbraw/zinc/98/93/98/626989398.db2.gz WTUZSBDTYOSULA-CYBMUJFWSA-N 1 0 313.323 3.348 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810219972 626989425 /nfs/dbraw/zinc/98/94/25/626989425.db2.gz YYVMCDOHWBJIAN-GXTWGEPZSA-N 1 0 305.340 3.469 20 10 DGCDRO CC[C@H]([NH2+]CCN1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810227332 626990321 /nfs/dbraw/zinc/99/03/21/626990321.db2.gz BZOIGTKUWMNTEG-ZDUSSCGKSA-N 1 0 302.340 3.157 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1ccc(C(F)(F)F)cc1O ZINC000810234472 626990776 /nfs/dbraw/zinc/99/07/76/626990776.db2.gz DKGCDIQLSVNZKL-XDCKBPOISA-N 1 0 323.380 3.219 20 10 DGCDRO CC[C@@H]([NH2+][C@H](CCOC)COC)c1cc(Cl)ccc1O ZINC000810257703 626993941 /nfs/dbraw/zinc/99/39/41/626993941.db2.gz TZSPATLJGTYNGQ-TZMCWYRMSA-N 1 0 301.814 3.138 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1OC ZINC000885959742 627070388 /nfs/dbraw/zinc/07/03/88/627070388.db2.gz CHKPVABONVTIPT-UHFFFAOYSA-N 1 0 317.360 3.068 20 10 DGCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000136489525 627092804 /nfs/dbraw/zinc/09/28/04/627092804.db2.gz FCCCWSUNFXHDML-GOSISDBHSA-N 1 0 302.393 3.023 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000886109700 627106954 /nfs/dbraw/zinc/10/69/54/627106954.db2.gz QDUYWWASFVDTOZ-ZFWWWQNUSA-N 1 0 305.418 3.401 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(F)c1OC ZINC000886186290 627118790 /nfs/dbraw/zinc/11/87/90/627118790.db2.gz USDQAHDGGGMRIS-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1c([O-])cccc1F ZINC000886642054 627178721 /nfs/dbraw/zinc/17/87/21/627178721.db2.gz ZCGCVMSXEWYIKK-CABZTGNLSA-N 1 0 317.286 3.182 20 10 DGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H](O)C(F)(F)F ZINC000886644381 627178880 /nfs/dbraw/zinc/17/88/80/627178880.db2.gz BNMYGASAEOIUKK-HJIKLVIJSA-N 1 0 309.303 3.130 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1c([O-])cccc1F ZINC000886643283 627179039 /nfs/dbraw/zinc/17/90/39/627179039.db2.gz QBSVWYRPXGFAMX-IAQYHMDHSA-N 1 0 314.360 3.009 20 10 DGCDRO C[C@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000886708669 627195429 /nfs/dbraw/zinc/19/54/29/627195429.db2.gz ADYDFCHCGVOOLE-JKSUJKDBSA-N 1 0 319.445 3.409 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c1 ZINC000886764670 627202065 /nfs/dbraw/zinc/20/20/65/627202065.db2.gz YBNQQCIFBCUFQV-YRBFXIGRSA-N 1 0 305.418 3.078 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c(O)c1 ZINC000886772527 627203163 /nfs/dbraw/zinc/20/31/63/627203163.db2.gz ZVEKBLYLEWEAPL-NTODXPRQSA-N 1 0 319.445 3.324 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c(O)c1 ZINC000886772529 627203212 /nfs/dbraw/zinc/20/32/12/627203212.db2.gz ZVEKBLYLEWEAPL-XZLOLGPPSA-N 1 0 319.445 3.324 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1 ZINC000811519561 627286913 /nfs/dbraw/zinc/28/69/13/627286913.db2.gz YKXQJBMVPHWYTH-GOSISDBHSA-N 1 0 304.478 3.420 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000811781143 627321491 /nfs/dbraw/zinc/32/14/91/627321491.db2.gz YYTZGTAXFNGBIV-RHSMWYFYSA-N 1 0 305.418 3.099 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000811781145 627321742 /nfs/dbraw/zinc/32/17/42/627321742.db2.gz YYTZGTAXFNGBIV-WMLDXEAASA-N 1 0 305.418 3.099 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1[C@@H]1CCCO1)CCC2 ZINC000811791954 627322782 /nfs/dbraw/zinc/32/27/82/627322782.db2.gz KOKILQUODSREPC-RBUKOAKNSA-N 1 0 313.441 3.414 20 10 DGCDRO CC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCOC1 ZINC000812297018 627368426 /nfs/dbraw/zinc/36/84/26/627368426.db2.gz VZTWMPNHDNJGKF-CQSZACIVSA-N 1 0 307.434 3.309 20 10 DGCDRO C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccccc1O ZINC000813882674 627518979 /nfs/dbraw/zinc/51/89/79/627518979.db2.gz GVEULVMDHSDYQL-ZDUSSCGKSA-N 1 0 308.381 3.095 20 10 DGCDRO CN1C[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)[C@@H]2C1 ZINC000814172898 627546640 /nfs/dbraw/zinc/54/66/40/627546640.db2.gz CUFPUAUJNNVWDJ-IEBWSBKVSA-N 1 0 308.425 3.195 20 10 DGCDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000814178711 627547218 /nfs/dbraw/zinc/54/72/18/627547218.db2.gz AMIKONNOFACMNM-QGZVFWFLSA-N 1 0 320.502 3.098 20 10 DGCDRO CSC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000814178710 627547246 /nfs/dbraw/zinc/54/72/46/627547246.db2.gz AMIKONNOFACMNM-KRWDZBQOSA-N 1 0 320.502 3.098 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)ccc1N(C)C ZINC000815021819 627617497 /nfs/dbraw/zinc/61/74/97/627617497.db2.gz UHSHBUDFUSJRKL-QGZVFWFLSA-N 1 0 312.461 3.174 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)ccc1N(C)C ZINC000815062151 627621371 /nfs/dbraw/zinc/62/13/71/627621371.db2.gz GOXNUTWUMIFEDN-KRWDZBQOSA-N 1 0 311.429 3.109 20 10 DGCDRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815096228 627625921 /nfs/dbraw/zinc/62/59/21/627625921.db2.gz ZAPGXFRGRYQTQV-OAHLLOKOSA-N 1 0 304.459 3.254 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)ccc1N(C)C ZINC000815101558 627626879 /nfs/dbraw/zinc/62/68/79/627626879.db2.gz AAWHTIFMYDRCBS-KRWDZBQOSA-N 1 0 312.461 3.174 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000815118809 627629989 /nfs/dbraw/zinc/62/99/89/627629989.db2.gz MEZKCOCZNUQXLS-QGZVFWFLSA-N 1 0 318.852 3.440 20 10 DGCDRO CCN(C)c1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000815118161 627630180 /nfs/dbraw/zinc/63/01/80/627630180.db2.gz LALUBYPZQTYZKZ-LPHOPBHVSA-N 1 0 301.478 3.201 20 10 DGCDRO CCN(C)c1ccc(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000815120663 627630960 /nfs/dbraw/zinc/63/09/60/627630960.db2.gz LQHAQDVPNWTBOC-KRWDZBQOSA-N 1 0 315.505 3.449 20 10 DGCDRO Cc1cc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1N(C)C ZINC000815232739 627648112 /nfs/dbraw/zinc/64/81/12/627648112.db2.gz OBQHSWNOABWORZ-LJQANCHMSA-N 1 0 304.478 3.292 20 10 DGCDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760999 627677406 /nfs/dbraw/zinc/67/74/06/627677406.db2.gz SIIXYZCKZONNLE-IGOJGBNBSA-N 1 0 316.489 3.420 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c(O)c1 ZINC000815566737 627685612 /nfs/dbraw/zinc/68/56/12/627685612.db2.gz DBMPKOBPLIOJMK-HOTGVXAUSA-N 1 0 324.424 3.465 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815578312 627686848 /nfs/dbraw/zinc/68/68/48/627686848.db2.gz LWGFLJHDTZDPHS-VXGBXAGGSA-N 1 0 316.367 3.403 20 10 DGCDRO OCC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815585412 627687760 /nfs/dbraw/zinc/68/77/60/627687760.db2.gz HCRNRJYMQRPVBS-SFHVURJKSA-N 1 0 311.425 3.428 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H](C3CC3)C3CCOCC3)ccc21 ZINC000924872576 627689094 /nfs/dbraw/zinc/68/90/94/627689094.db2.gz RRPYCVJDELVMGM-FQEVSTJZSA-N 1 0 314.473 3.364 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c(O)c1 ZINC000815598642 627689819 /nfs/dbraw/zinc/68/98/19/627689819.db2.gz ZDEYYNTZNNDXAT-YWZLYKJASA-N 1 0 311.425 3.494 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C[NH+](C)C ZINC000815627810 627693038 /nfs/dbraw/zinc/69/30/38/627693038.db2.gz KEFQACVOZNQIIL-MNOVXSKESA-N 1 0 304.356 3.259 20 10 DGCDRO COc1ccncc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815629235 627693110 /nfs/dbraw/zinc/69/31/10/627693110.db2.gz XSXQTWKWHNJKTA-GXFFZTMASA-N 1 0 302.349 3.273 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2O)[C@H]1n1cccn1 ZINC000815659380 627695979 /nfs/dbraw/zinc/69/59/79/627695979.db2.gz AFYDAPWLTAHDGY-CWLKWCNXSA-N 1 0 315.417 3.048 20 10 DGCDRO C[C@H]([NH3+])[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000925544462 627751253 /nfs/dbraw/zinc/75/12/53/627751253.db2.gz RVYNBWFXMUQRQK-OXJNMPFZSA-N 1 0 309.457 3.465 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000816493110 627796141 /nfs/dbraw/zinc/79/61/41/627796141.db2.gz PIPNODFMFXNMLN-CYBMUJFWSA-N 1 0 312.816 3.245 20 10 DGCDRO CNC(=O)c1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816531617 627803536 /nfs/dbraw/zinc/80/35/36/627803536.db2.gz XYTPARZOTRJDNX-UHFFFAOYSA-N 1 0 320.392 3.195 20 10 DGCDRO CC1=CC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000816539206 627804097 /nfs/dbraw/zinc/80/40/97/627804097.db2.gz WLYYCZLUMCWSJA-LJQANCHMSA-N 1 0 314.473 3.484 20 10 DGCDRO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C[NH+]1CCCC1 ZINC000816536443 627804267 /nfs/dbraw/zinc/80/42/67/627804267.db2.gz XVXXOJLKGWSXMW-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC000816594112 627812714 /nfs/dbraw/zinc/81/27/14/627812714.db2.gz PVYJZNPRCONTNU-UHFFFAOYSA-N 1 0 321.380 3.189 20 10 DGCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000816636610 627817097 /nfs/dbraw/zinc/81/70/97/627817097.db2.gz CBQHKSVKPQGYNN-FQEVSTJZSA-N 1 0 322.452 3.470 20 10 DGCDRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCOCC1 ZINC000817589064 627927252 /nfs/dbraw/zinc/92/72/52/627927252.db2.gz SZFTUFLLJYPQOB-HUUCEWRRSA-N 1 0 307.434 3.244 20 10 DGCDRO CCCN1C[C@H](C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)CC1=O ZINC000817588447 627927450 /nfs/dbraw/zinc/92/74/50/627927450.db2.gz FSNZPQSKPASHFT-MAUKXSAKSA-N 1 0 317.477 3.052 20 10 DGCDRO CC1CCN(c2ccc(CN[C@@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000817902783 627957111 /nfs/dbraw/zinc/95/71/11/627957111.db2.gz YEEROIXBQJRKQY-VQIMIIECSA-N 1 0 301.478 3.011 20 10 DGCDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817938359 627966791 /nfs/dbraw/zinc/96/67/91/627966791.db2.gz JKJVGUQYRRGWMK-AUUYWEPGSA-N 1 0 313.445 3.112 20 10 DGCDRO CC[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817936892 627966811 /nfs/dbraw/zinc/96/68/11/627966811.db2.gz SBKGMKGNSWERBV-ZDUSSCGKSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1F ZINC000817938909 627967280 /nfs/dbraw/zinc/96/72/80/627967280.db2.gz VJRQUPQGMVRSTA-SCLBCKFNSA-N 1 0 301.409 3.242 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000817938853 627967679 /nfs/dbraw/zinc/96/76/79/627967679.db2.gz UOKSLRNVTCGJMM-MOPGFXCFSA-N 1 0 313.420 3.169 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000817938749 627967884 /nfs/dbraw/zinc/96/78/84/627967884.db2.gz RHCNELAYAHIGIU-IAGOWNOFSA-N 1 0 315.486 3.481 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000817942610 627969389 /nfs/dbraw/zinc/96/93/89/627969389.db2.gz PWBBQWVDUSEMOG-WOJBJXKFSA-N 1 0 309.457 3.493 20 10 DGCDRO C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817944050 627970035 /nfs/dbraw/zinc/97/00/35/627970035.db2.gz WZPYLNDFRNLWJP-XJKSGUPXSA-N 1 0 309.523 3.262 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCc3ccccc3C2)cc1 ZINC000817944202 627970096 /nfs/dbraw/zinc/97/00/96/627970096.db2.gz YCPSLDQOALGBIK-PZJWPPBQSA-N 1 0 323.484 3.290 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955130 627973954 /nfs/dbraw/zinc/97/39/54/627973954.db2.gz QTMQFUJSTOSYKQ-NXEZZACHSA-N 1 0 303.233 3.349 20 10 DGCDRO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956135 627973980 /nfs/dbraw/zinc/97/39/80/627973980.db2.gz RODPJDXVGGRNIK-DYESRHJHSA-N 1 0 323.484 3.312 20 10 DGCDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c(OC)c1 ZINC000817955435 627974312 /nfs/dbraw/zinc/97/43/12/627974312.db2.gz AQQVYGXKWXUBPM-CYBMUJFWSA-N 1 0 300.402 3.179 20 10 DGCDRO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817957866 627974729 /nfs/dbraw/zinc/97/47/29/627974729.db2.gz PZYCOVLFKFHBMK-SJLPKXTDSA-N 1 0 318.461 3.303 20 10 DGCDRO CC(C)C[C@H](CN)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000817957558 627974778 /nfs/dbraw/zinc/97/47/78/627974778.db2.gz CVYPMLZFZYGNAD-ZYHUDNBSSA-N 1 0 315.255 3.179 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817966286 627977652 /nfs/dbraw/zinc/97/76/52/627977652.db2.gz KJBIRPWRNJOWIG-NHYWBVRUSA-N 1 0 316.367 3.451 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000817973358 627979671 /nfs/dbraw/zinc/97/96/71/627979671.db2.gz DOBHJONLZKNNOC-QRWLVFNGSA-N 1 0 309.457 3.290 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970786 627980241 /nfs/dbraw/zinc/98/02/41/627980241.db2.gz FGLPYRMPUWVQGA-AUTRQRHGSA-N 1 0 303.233 3.348 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817981215 627982351 /nfs/dbraw/zinc/98/23/51/627982351.db2.gz HFFVWXZZIIRSRZ-HBNTYKKESA-N 1 0 302.340 3.189 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817982231 627982583 /nfs/dbraw/zinc/98/25/83/627982583.db2.gz PRISUSHKAPYJHC-AEJSXWLSSA-N 1 0 303.233 3.477 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c(O)c1 ZINC000927012068 627996574 /nfs/dbraw/zinc/99/65/74/627996574.db2.gz FLZHCKHKXYEKCA-HZPDHXFCSA-N 1 0 319.445 3.388 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cccnc3)C2)cc1 ZINC000818115862 627997308 /nfs/dbraw/zinc/99/73/08/627997308.db2.gz CZULBNRESWDNJR-HZPDHXFCSA-N 1 0 311.429 3.267 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3csc(C)n3)C2)cc1 ZINC000818220355 628005953 /nfs/dbraw/zinc/00/59/53/628005953.db2.gz JQJVKLXJWVMFHK-AWEZNQCLSA-N 1 0 317.458 3.076 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]CC3(OC)CCCC3)C2)cc1 ZINC000818221089 628006584 /nfs/dbraw/zinc/00/65/84/628006584.db2.gz LFGRDQBTSSHLNQ-MRXNPFEDSA-N 1 0 318.461 3.070 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccncc3C)C2)cc1 ZINC000818222414 628006688 /nfs/dbraw/zinc/00/66/88/628006688.db2.gz SHAWGVWERGIILN-MRXNPFEDSA-N 1 0 311.429 3.015 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000818341827 628015797 /nfs/dbraw/zinc/01/57/97/628015797.db2.gz HINNPCYXYFTJHB-ZMYBRWDISA-N 1 0 300.446 3.300 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3nccs3)C2)cc1 ZINC000818343223 628015957 /nfs/dbraw/zinc/01/59/57/628015957.db2.gz ZRHUJVOSQBDAIY-UONOGXRCSA-N 1 0 317.458 3.329 20 10 DGCDRO C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000927152027 628027430 /nfs/dbraw/zinc/02/74/30/628027430.db2.gz IUJPVFRZOYLAEU-BSIFCXSSSA-N 1 0 324.468 3.496 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000818941910 628063684 /nfs/dbraw/zinc/06/36/84/628063684.db2.gz UDXQZQKGNQOFGS-KRWDZBQOSA-N 1 0 322.811 3.368 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1C ZINC000818997905 628075717 /nfs/dbraw/zinc/07/57/17/628075717.db2.gz NQYFLNUDLOLJCA-KRWDZBQOSA-N 1 0 319.832 3.350 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc1F ZINC000819043064 628082816 /nfs/dbraw/zinc/08/28/16/628082816.db2.gz QQSIJPFGYXXQAY-GFCCVEGCSA-N 1 0 322.346 3.075 20 10 DGCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094449 628091340 /nfs/dbraw/zinc/09/13/40/628091340.db2.gz HJGICOFPDIUTFA-FQEVSTJZSA-N 1 0 308.425 3.194 20 10 DGCDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000822452054 628452844 /nfs/dbraw/zinc/45/28/44/628452844.db2.gz VGRDGRAQWOCTCY-JKSUJKDBSA-N 1 0 308.516 3.223 20 10 DGCDRO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822526241 628461334 /nfs/dbraw/zinc/46/13/34/628461334.db2.gz RWXQTFMWIOEACE-IAGOWNOFSA-N 1 0 321.779 3.493 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000822530081 628462132 /nfs/dbraw/zinc/46/21/32/628462132.db2.gz PMYXOLDIISQTQK-GOSISDBHSA-N 1 0 317.429 3.182 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CCCC23CCC3)ccc1N1CCOCC1 ZINC000823671305 628585877 /nfs/dbraw/zinc/58/58/77/628585877.db2.gz KVHIEFJCVZDXOR-GOSISDBHSA-N 1 0 318.436 3.475 20 10 DGCDRO C[N@H+](Cc1cnc2n1CCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000824474228 628663918 /nfs/dbraw/zinc/66/39/18/628663918.db2.gz KTVNPRUOCHPLFH-UHFFFAOYSA-N 1 0 324.472 3.452 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2cnc3n2CCC3)C2CC2)cc1 ZINC000824555291 628670766 /nfs/dbraw/zinc/67/07/66/628670766.db2.gz DKYQHUBDKXQVBT-UHFFFAOYSA-N 1 0 310.445 3.060 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1ccccc1 ZINC000824591282 628674615 /nfs/dbraw/zinc/67/46/15/628674615.db2.gz TWGVGEIKJGNYHT-CQSZACIVSA-N 1 0 305.805 3.393 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(O)c1 ZINC000824695985 628684388 /nfs/dbraw/zinc/68/43/88/628684388.db2.gz GAICKJIQYSVATA-KURKYZTESA-N 1 0 319.445 3.306 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1O ZINC000824765714 628691788 /nfs/dbraw/zinc/69/17/88/628691788.db2.gz OWCNFNOGCPNZGI-CYBMUJFWSA-N 1 0 304.217 3.464 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1O ZINC000824844856 628699536 /nfs/dbraw/zinc/69/95/36/628699536.db2.gz DVHCTGNKAKXHAK-WBVHZDCISA-N 1 0 309.450 3.170 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000824846601 628699992 /nfs/dbraw/zinc/69/99/92/628699992.db2.gz UMFCZHGETNGZJU-SJLPKXTDSA-N 1 0 309.450 3.170 20 10 DGCDRO C[N@H+](CCOCC1CC1)Cc1ccc(Br)cc1O ZINC000824901758 628704300 /nfs/dbraw/zinc/70/43/00/628704300.db2.gz MWBUMANOAHVSCQ-UHFFFAOYSA-N 1 0 314.223 3.013 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1Cl ZINC000824913256 628705742 /nfs/dbraw/zinc/70/57/42/628705742.db2.gz NBELEVOYHVTXDH-DZGCQCFKSA-N 1 0 313.850 3.060 20 10 DGCDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000824920213 628706332 /nfs/dbraw/zinc/70/63/32/628706332.db2.gz HYDMPWAVUUGECR-SUMWQHHRSA-N 1 0 321.461 3.291 20 10 DGCDRO CCOc1cccc(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c1O ZINC000825104256 628727911 /nfs/dbraw/zinc/72/79/11/628727911.db2.gz SCXGJLZVQBKGLU-HOTGVXAUSA-N 1 0 305.418 3.180 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCc3c2cnn3C)cc1Cl ZINC000825108227 628728881 /nfs/dbraw/zinc/72/88/81/628728881.db2.gz QSYXCXFAKUAXMQ-AWEZNQCLSA-N 1 0 305.809 3.255 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc3c2OCO3)cc1Cl ZINC000825130971 628731000 /nfs/dbraw/zinc/73/10/00/628731000.db2.gz HTNROQFBMUUYKG-UHFFFAOYSA-N 1 0 305.761 3.373 20 10 DGCDRO CCOc1ccc(C[NH2+]C2CCC(OC(F)F)CC2)c(O)c1 ZINC000825143529 628732349 /nfs/dbraw/zinc/73/23/49/628732349.db2.gz FWZZKTFQTDGSCE-UHFFFAOYSA-N 1 0 315.360 3.431 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2cccc(F)c2)cc1Cl ZINC000825166817 628734042 /nfs/dbraw/zinc/73/40/42/628734042.db2.gz FJQOQXFUEKDROT-INIZCTEOSA-N 1 0 309.768 3.316 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000825167646 628734160 /nfs/dbraw/zinc/73/41/60/628734160.db2.gz OEKNSFYMDOZOLX-PKOBYXMFSA-N 1 0 300.446 3.334 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C2CCN(CC(F)F)CC2)cc1Cl ZINC000825172930 628734687 /nfs/dbraw/zinc/73/46/87/628734687.db2.gz BZKIOLZTHDYXMK-UHFFFAOYSA-N 1 0 318.795 3.173 20 10 DGCDRO Cc1nccn1CCCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825297960 628747333 /nfs/dbraw/zinc/74/73/33/628747333.db2.gz QOKLEWPSCAJBEU-UHFFFAOYSA-N 1 0 307.825 3.429 20 10 DGCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825316752 628748449 /nfs/dbraw/zinc/74/84/49/628748449.db2.gz ZQAPNCROBKURKM-GXFFZTMASA-N 1 0 316.239 3.041 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@H]1CCCO1 ZINC000825391524 628756996 /nfs/dbraw/zinc/75/69/96/628756996.db2.gz XOERRIIHWYDULO-TZMCWYRMSA-N 1 0 314.223 3.202 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825439467 628761586 /nfs/dbraw/zinc/76/15/86/628761586.db2.gz CXAQSRVFQKCRHE-ZDUSSCGKSA-N 1 0 323.400 3.155 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000825629024 628778774 /nfs/dbraw/zinc/77/87/74/628778774.db2.gz PLQPFXFPJQYLAX-INIZCTEOSA-N 1 0 321.461 3.291 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1Cl ZINC000825697917 628786697 /nfs/dbraw/zinc/78/66/97/628786697.db2.gz KWYIEGFCEFSSLE-CYBMUJFWSA-N 1 0 303.789 3.317 20 10 DGCDRO CCCN(Cc1cc(C)c(C(=O)OC)o1)c1ccc(C[NH3+])cc1 ZINC000825710115 628788672 /nfs/dbraw/zinc/78/86/72/628788672.db2.gz GPIDRFCUKIQZEU-UHFFFAOYSA-N 1 0 316.401 3.250 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](O)CC2)c(O)c(C(C)(C)C)c1 ZINC000826023858 628820739 /nfs/dbraw/zinc/82/07/39/628820739.db2.gz IXXCLCFHRVYUMW-AWEZNQCLSA-N 1 0 307.434 3.045 20 10 DGCDRO COc1cc(C[N@H+](C)CC(C)(C)CO)c(O)c(C(C)(C)C)c1 ZINC000826043583 628822714 /nfs/dbraw/zinc/82/27/14/628822714.db2.gz LLMAUEAUFYKOOG-UHFFFAOYSA-N 1 0 309.450 3.149 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826123353 628829962 /nfs/dbraw/zinc/82/99/62/628829962.db2.gz LHEQONBVCLSFCI-KGLIPLIRSA-N 1 0 321.461 3.291 20 10 DGCDRO COc1cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000826130831 628829988 /nfs/dbraw/zinc/82/99/88/628829988.db2.gz MIHNJLWHRZOLOM-UONOGXRCSA-N 1 0 321.461 3.149 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000826130826 628830223 /nfs/dbraw/zinc/83/02/23/628830223.db2.gz MIHNJLWHRZOLOM-KBPBESRZSA-N 1 0 321.461 3.149 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)c2ccccn2)c1O ZINC000826802342 628888582 /nfs/dbraw/zinc/88/85/82/628888582.db2.gz DTRRNQISELEFFX-LLVKDONJSA-N 1 0 306.793 3.343 20 10 DGCDRO COCCC1C[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000826894650 628900779 /nfs/dbraw/zinc/90/07/79/628900779.db2.gz STIALPRKBFRLOG-UHFFFAOYSA-N 1 0 307.434 3.167 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](COC)c2cccc(OC)c2)c1O ZINC000827012525 628912588 /nfs/dbraw/zinc/91/25/88/628912588.db2.gz ZVZNJJRRZHANNA-GOSISDBHSA-N 1 0 315.413 3.441 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)cc1F ZINC000827151572 628928818 /nfs/dbraw/zinc/92/88/18/628928818.db2.gz FYRMKHZBCHKSTQ-KBPBESRZSA-N 1 0 308.441 3.121 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)cc1F ZINC000827151574 628929210 /nfs/dbraw/zinc/92/92/10/628929210.db2.gz FYRMKHZBCHKSTQ-ZIAGYGMSSA-N 1 0 308.441 3.121 20 10 DGCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)ccc1N1CCCCC1 ZINC000827507011 628965901 /nfs/dbraw/zinc/96/59/01/628965901.db2.gz RBJFPPPUDLILIG-HOTGVXAUSA-N 1 0 315.417 3.427 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@H](c1ccccc1)[C@H](O)C(C)C ZINC000827526142 628967804 /nfs/dbraw/zinc/96/78/04/628967804.db2.gz HKXBEHODUBRKQR-RTBURBONSA-N 1 0 315.413 3.249 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3ccon3)CC2)c1O ZINC000827630185 628978038 /nfs/dbraw/zinc/97/80/38/628978038.db2.gz UTWWZIPOWPKIEU-UHFFFAOYSA-N 1 0 322.792 3.422 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)CC1 ZINC000827661786 628980787 /nfs/dbraw/zinc/98/07/87/628980787.db2.gz GEYZFWDLUKVYIF-UHFFFAOYSA-N 1 0 300.446 3.070 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cc(OCC)ccc1O ZINC000827751996 628988463 /nfs/dbraw/zinc/98/84/63/628988463.db2.gz ZGZVYPZLKOQJLL-AEFFLSMTSA-N 1 0 321.417 3.002 20 10 DGCDRO Cc1cc(C[N@H+](C)CCn2cccn2)ccc1N1CCCCC1 ZINC000827797236 628992554 /nfs/dbraw/zinc/99/25/54/628992554.db2.gz CNUGUEOXBDFBNE-UHFFFAOYSA-N 1 0 312.461 3.314 20 10 DGCDRO COc1cc(C[N@H+](C)C2(CO)CCC2)c(O)c(C(C)(C)C)c1 ZINC000827904151 629002143 /nfs/dbraw/zinc/00/21/43/629002143.db2.gz VITRCXZAUJNHAE-UHFFFAOYSA-N 1 0 307.434 3.045 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c1O ZINC000827941543 629006116 /nfs/dbraw/zinc/00/61/16/629006116.db2.gz GGPCEWYLFIXHSZ-SFHVURJKSA-N 1 0 312.413 3.089 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)cc1C ZINC000828017946 629014532 /nfs/dbraw/zinc/01/45/32/629014532.db2.gz BXEUYOZJUWPETM-UHFFFAOYSA-N 1 0 313.445 3.327 20 10 DGCDRO Cc1cc(C[NH2+][C@H](CCO)C2CC2)ccc1N1CCCCC1 ZINC000828829183 629098415 /nfs/dbraw/zinc/09/84/15/629098415.db2.gz QYRGRZUXAYOJHX-GOSISDBHSA-N 1 0 302.462 3.236 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)ccc1N1CCCCC1 ZINC000829326721 629149604 /nfs/dbraw/zinc/14/96/04/629149604.db2.gz CLJVBKREMXPZSP-SFHVURJKSA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H]3CN(C)C[C@@H]32)ccc1N1CCCCC1 ZINC000829998730 629216126 /nfs/dbraw/zinc/21/61/26/629216126.db2.gz NFKSQTAEIMLNCX-QUCCMNQESA-N 1 0 313.489 3.121 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](CCO)c2ccccc2F)ccc1N(C)C ZINC000830356060 629257812 /nfs/dbraw/zinc/25/78/12/629257812.db2.gz URFRAZJZFCKKQW-SFHVURJKSA-N 1 0 316.420 3.413 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C12CCC2 ZINC000831307549 629360296 /nfs/dbraw/zinc/36/02/96/629360296.db2.gz CMIORVPUOCLQNW-HOTGVXAUSA-N 1 0 321.392 3.171 20 10 DGCDRO CN(C(=O)C1=CC(=O)CS1)C(C)(C)C[NH+]1CCCCCC1 ZINC000832517590 629493295 /nfs/dbraw/zinc/49/32/95/629493295.db2.gz NKIJMSHQIWEHDJ-UHFFFAOYSA-N 1 0 310.463 3.180 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)CC2 ZINC000834541565 629723745 /nfs/dbraw/zinc/72/37/45/629723745.db2.gz YWPDZBIDCCJGMV-KRWDZBQOSA-N 1 0 324.424 3.006 20 10 DGCDRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)c2ccccc21 ZINC000834692670 629759069 /nfs/dbraw/zinc/75/90/69/629759069.db2.gz GVEYPYHUVFAAHH-DLBZAZTESA-N 1 0 322.408 3.467 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(-n2ccnn2)cc1 ZINC000834694168 629759192 /nfs/dbraw/zinc/75/91/92/629759192.db2.gz UWEFRJLHFYNUPF-GUYCJALGSA-N 1 0 320.396 3.311 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(-n2ccnn2)cc1 ZINC000834694169 629759206 /nfs/dbraw/zinc/75/92/06/629759206.db2.gz UWEFRJLHFYNUPF-SUMWQHHRSA-N 1 0 320.396 3.311 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@@H]3SCCS[C@H]13)CC2 ZINC000834697185 629760089 /nfs/dbraw/zinc/76/00/89/629760089.db2.gz HBUUCTSCBAYXJN-UNIGVISCSA-N 1 0 307.484 3.349 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C1(c3ccc4c(c3)OCO4)CC1)CC2 ZINC000834729196 629767809 /nfs/dbraw/zinc/76/78/09/629767809.db2.gz ATDDHJOFROLWEQ-AWEZNQCLSA-N 1 0 309.365 3.387 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834761965 629774647 /nfs/dbraw/zinc/77/46/47/629774647.db2.gz WLKBWKVIZWWGOX-GDBMZVCRSA-N 1 0 301.386 3.210 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000834820785 629784581 /nfs/dbraw/zinc/78/45/81/629784581.db2.gz CUZDTAHSRUUHDJ-NWDGAFQWSA-N 1 0 319.836 3.213 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(C)cc1O ZINC000834828373 629785501 /nfs/dbraw/zinc/78/55/01/629785501.db2.gz SINYZIFLFYPPSS-WMZOPIPTSA-N 1 0 317.404 3.484 20 10 DGCDRO C[C@H]([NH2+]CC1=CCOCC1)c1ccc(Br)cc1O ZINC000834859400 629791975 /nfs/dbraw/zinc/79/19/75/629791975.db2.gz BEMFPVZYIHLJRJ-JTQLQIEISA-N 1 0 312.207 3.152 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)[C@@H](O)C(F)F ZINC000834875505 629795264 /nfs/dbraw/zinc/79/52/64/629795264.db2.gz QBVGVDJPIPGKHC-ZIMMKZDOSA-N 1 0 303.324 3.074 20 10 DGCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834903650 629804120 /nfs/dbraw/zinc/80/41/20/629804120.db2.gz KBFQZBUYLKTWSD-ATZDWAIDSA-N 1 0 318.461 3.131 20 10 DGCDRO COc1cccnc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834907234 629805926 /nfs/dbraw/zinc/80/59/26/629805926.db2.gz ZEGVESPXNOMAIY-JQWIXIFHSA-N 1 0 302.349 3.273 20 10 DGCDRO Cc1cnc(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000834908694 629806236 /nfs/dbraw/zinc/80/62/36/629806236.db2.gz LGYCYWDQSMMROV-YGRLFVJLSA-N 1 0 301.365 3.010 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC ZINC000834909756 629806782 /nfs/dbraw/zinc/80/67/82/629806782.db2.gz ATGNGCNLOXEEJI-CRAIPNDOSA-N 1 0 317.477 3.242 20 10 DGCDRO C[C@@H]1C[C@H]([N@H+](C)C/C=C\c2ccc(N(C)C)cc2)CCN1C ZINC000835026370 629828186 /nfs/dbraw/zinc/82/81/86/629828186.db2.gz RYKOAQRJASQUJP-QXJVMSCWSA-N 1 0 301.478 3.180 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000835024982 629828365 /nfs/dbraw/zinc/82/83/65/629828365.db2.gz BGQZRAXDNGRZDY-ARJAWSKDSA-N 1 0 310.445 3.369 20 10 DGCDRO CN(C)c1ccc(/C=C\CN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000835027929 629829006 /nfs/dbraw/zinc/82/90/06/629829006.db2.gz OIUXEHFGWKKCJG-MWGFUINXSA-N 1 0 313.489 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000835027937 629829195 /nfs/dbraw/zinc/82/91/95/629829195.db2.gz OIUXEHFGWKKCJG-ZEZYUPADSA-N 1 0 313.489 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000835029682 629829891 /nfs/dbraw/zinc/82/98/91/629829891.db2.gz VWCZYYSPNWGCKM-OOUWWJCLSA-N 1 0 300.446 3.124 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000835035029 629830481 /nfs/dbraw/zinc/83/04/81/629830481.db2.gz GDJUDMSQIYPLAD-ONEGZZNKSA-N 1 0 316.445 3.041 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@](C)(O)c2ccccc2)cc1 ZINC000835038967 629831122 /nfs/dbraw/zinc/83/11/22/629831122.db2.gz DOPJPTZQCVFMQQ-WHXUGTBJSA-N 1 0 310.441 3.263 20 10 DGCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000835037411 629831223 /nfs/dbraw/zinc/83/12/23/629831223.db2.gz VSETZZLUFCWWEF-SHCNBLLESA-N 1 0 322.456 3.011 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)c2ccsc2)cc1 ZINC000835041366 629832063 /nfs/dbraw/zinc/83/20/63/629832063.db2.gz WYWOHIYTPQSETC-LIMHQNJXSA-N 1 0 302.443 3.151 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)c2ccsc2)cc1 ZINC000835041360 629832069 /nfs/dbraw/zinc/83/20/69/629832069.db2.gz WYWOHIYTPQSETC-CWIOURORSA-N 1 0 302.443 3.151 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]2(O)CCc3ccccc32)cc1 ZINC000835040123 629832440 /nfs/dbraw/zinc/83/24/40/629832440.db2.gz ACCMQVLBQGCFKW-YAQIIAKESA-N 1 0 322.452 3.189 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2(CCO)CCCCC2)cc1 ZINC000835043404 629832705 /nfs/dbraw/zinc/83/27/05/629832705.db2.gz QJDSPBCURSZCJG-VOTSOKGWSA-N 1 0 302.462 3.441 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]2(C)CCCC[C@H]2O)cc1 ZINC000835041885 629832826 /nfs/dbraw/zinc/83/28/26/629832826.db2.gz FPNRTMYOPZRERB-KAGICYHLSA-N 1 0 302.462 3.297 20 10 DGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042169 629832931 /nfs/dbraw/zinc/83/29/31/629832931.db2.gz DUDDUZSKJGYHIW-VVEVLUTRSA-N 1 0 314.429 3.461 20 10 DGCDRO CC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@@H](O)C(F)(F)F ZINC000835042044 629833041 /nfs/dbraw/zinc/83/30/41/629833041.db2.gz QJTPLVSVVJDIEX-RWCKICOTSA-N 1 0 316.367 3.057 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC000835047201 629834314 /nfs/dbraw/zinc/83/43/14/629834314.db2.gz CXLKZOAJTHDQOR-AVKJRPAMSA-N 1 0 324.468 3.349 20 10 DGCDRO CC[C@@]1(CO)CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835045573 629834768 /nfs/dbraw/zinc/83/47/68/629834768.db2.gz IXHWKPSZITXDHY-WSSFADSRSA-N 1 0 302.462 3.250 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000835046455 629834800 /nfs/dbraw/zinc/83/48/00/629834800.db2.gz JTBKKDNCQBHTLN-RCFWFJCLSA-N 1 0 300.402 3.072 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835050541 629836094 /nfs/dbraw/zinc/83/60/94/629836094.db2.gz CWUWEGMMRUXHSP-DJAVDHGHSA-N 1 0 316.445 3.087 20 10 DGCDRO COC(=O)[C@@H](C)N(C/C=C\c1ccc(N(C)C)cc1)C1CCC1 ZINC000835050363 629836241 /nfs/dbraw/zinc/83/62/41/629836241.db2.gz PHCQPIFTIOLXCE-IDTUSYRASA-N 1 0 316.445 3.182 20 10 DGCDRO COC(=O)[C@H](C)N(C/C=C/c1ccc(N(C)C)cc1)C1CCC1 ZINC000835050364 629836527 /nfs/dbraw/zinc/83/65/27/629836527.db2.gz PHCQPIFTIOLXCE-LFAOLKIESA-N 1 0 316.445 3.182 20 10 DGCDRO CCC[C@]1(CO)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835051875 629837046 /nfs/dbraw/zinc/83/70/46/629837046.db2.gz AWHUXQVCZUGKRA-VOFKWLDRSA-N 1 0 302.462 3.250 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1 ZINC000835054325 629838534 /nfs/dbraw/zinc/83/85/34/629838534.db2.gz KCNXQAMVDBVMRD-VGRIIWOTSA-N 1 0 300.446 3.123 20 10 DGCDRO C[N@H+](CCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000835063281 629841336 /nfs/dbraw/zinc/84/13/36/629841336.db2.gz JLUAJYRIQZCKRU-UHFFFAOYSA-N 1 0 300.805 3.149 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(C)c(C)cc2O)cc1C ZINC000835074341 629844442 /nfs/dbraw/zinc/84/44/42/629844442.db2.gz QZLMULZSVWKHKD-LJQANCHMSA-N 1 0 313.441 3.319 20 10 DGCDRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000835078685 629845449 /nfs/dbraw/zinc/84/54/49/629845449.db2.gz WNCGLNDQPNLSQA-UHFFFAOYSA-N 1 0 314.813 3.002 20 10 DGCDRO O[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000835081917 629845924 /nfs/dbraw/zinc/84/59/24/629845924.db2.gz MUJUNSODZAWNFQ-TZIWHRDSSA-N 1 0 322.452 3.252 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@H](C)O2)c1O ZINC000835085970 629847561 /nfs/dbraw/zinc/84/75/61/629847561.db2.gz ADWVOYQVHJAYNT-GXFFZTMASA-N 1 0 314.223 3.120 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]1C ZINC000840719973 630351742 /nfs/dbraw/zinc/35/17/42/630351742.db2.gz XKSWIXQWADARLA-VCBZYWHSSA-N 1 0 302.462 3.029 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]1C ZINC000840756826 630356011 /nfs/dbraw/zinc/35/60/11/630356011.db2.gz CVZIQXWUVBPWJK-QEORTHHSSA-N 1 0 324.415 3.326 20 10 DGCDRO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(N2CCCCC2)cc1 ZINC000840769358 630357276 /nfs/dbraw/zinc/35/72/76/630357276.db2.gz YIOOLQNQTHBBRL-INIZCTEOSA-N 1 0 312.461 3.304 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1ccn(C)n1 ZINC000840815959 630361707 /nfs/dbraw/zinc/36/17/07/630361707.db2.gz JFSWHTCPUSPGCN-NXEZZACHSA-N 1 0 324.222 3.300 20 10 DGCDRO C[C@@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1ccccc1O ZINC000840862783 630368927 /nfs/dbraw/zinc/36/89/27/630368927.db2.gz IEXGTHVADSGDEB-HIFRSBDPSA-N 1 0 314.385 3.163 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2ccccc2F)c(Cl)c1 ZINC000840882073 630371712 /nfs/dbraw/zinc/37/17/12/630371712.db2.gz LZATVGYBWRILRC-MRXNPFEDSA-N 1 0 309.768 3.316 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000840892594 630373590 /nfs/dbraw/zinc/37/35/90/630373590.db2.gz BKOGXSSGPWBYGV-RLFYNMQTSA-N 1 0 312.461 3.484 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000840892825 630373617 /nfs/dbraw/zinc/37/36/17/630373617.db2.gz DQVVFVGORCKDJA-CVEARBPZSA-N 1 0 304.478 3.397 20 10 DGCDRO CCCC(=O)NC1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840910454 630376698 /nfs/dbraw/zinc/37/66/98/630376698.db2.gz HCDPYQKOHQEUJR-UHFFFAOYSA-N 1 0 324.852 3.235 20 10 DGCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)cc(C)cc1Cl)CC2 ZINC000840915546 630377381 /nfs/dbraw/zinc/37/73/81/630377381.db2.gz QTGNSNQFPHJSKQ-ZDUSSCGKSA-N 1 0 323.820 3.129 20 10 DGCDRO Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933601 630379839 /nfs/dbraw/zinc/37/98/39/630379839.db2.gz IJDHYUWMRFIJRB-CYBMUJFWSA-N 1 0 301.434 3.387 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000840937664 630380437 /nfs/dbraw/zinc/38/04/37/630380437.db2.gz VSTACABXLUCFPK-WMLDXEAASA-N 1 0 302.418 3.256 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCc2ccc(CO)cc2)c(Cl)c1 ZINC000840937992 630380783 /nfs/dbraw/zinc/38/07/83/630380783.db2.gz YTOCQTHEYXROFR-UHFFFAOYSA-N 1 0 305.805 3.179 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c(O)c1 ZINC000840941013 630381161 /nfs/dbraw/zinc/38/11/61/630381161.db2.gz MWZWOXDWAACGLD-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000840938124 630381472 /nfs/dbraw/zinc/38/14/72/630381472.db2.gz ZMZSJDZPARRHLZ-MRXNPFEDSA-N 1 0 304.478 3.339 20 10 DGCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840945260 630382222 /nfs/dbraw/zinc/38/22/22/630382222.db2.gz GVROHOFODQLOAI-AWEZNQCLSA-N 1 0 324.852 3.092 20 10 DGCDRO Cc1cc(Cl)cc(C[N@H+]2CCCc3c(cnn3C)C2)c1O ZINC000840955492 630383902 /nfs/dbraw/zinc/38/39/02/630383902.db2.gz XBQXDPKCWXHISF-UHFFFAOYSA-N 1 0 305.809 3.036 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(c3ccncn3)CC2)cc1F ZINC000840953537 630384205 /nfs/dbraw/zinc/38/42/05/630384205.db2.gz TYNGLTNNWXVIHY-UHFFFAOYSA-N 1 0 314.408 3.061 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C2(C(=O)N(C)C)CC2)cc1 ZINC000840959156 630386533 /nfs/dbraw/zinc/38/65/33/630386533.db2.gz VASITFPROVYSIQ-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840974951 630389272 /nfs/dbraw/zinc/38/92/72/630389272.db2.gz ADUDIDPOVHNCNQ-OAHLLOKOSA-N 1 0 313.445 3.185 20 10 DGCDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000840974723 630389283 /nfs/dbraw/zinc/38/92/83/630389283.db2.gz NPASRXNIHKVXJF-AWEZNQCLSA-N 1 0 312.413 3.062 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1F ZINC000840977463 630390251 /nfs/dbraw/zinc/39/02/51/630390251.db2.gz IEFPOZPWLDLNRH-CVEARBPZSA-N 1 0 308.441 3.313 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1F ZINC000840977465 630390386 /nfs/dbraw/zinc/39/03/86/630390386.db2.gz IEFPOZPWLDLNRH-HZPDHXFCSA-N 1 0 308.441 3.313 20 10 DGCDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000840978132 630390519 /nfs/dbraw/zinc/39/05/19/630390519.db2.gz LKEMROZDUMYQNJ-FUHWJXTLSA-N 1 0 302.462 3.270 20 10 DGCDRO Fc1ccc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000840976861 630390582 /nfs/dbraw/zinc/39/05/82/630390582.db2.gz GXHCDYHIRSEMMW-KRWDZBQOSA-N 1 0 312.388 3.129 20 10 DGCDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(N)cc1 ZINC000841033772 630399181 /nfs/dbraw/zinc/39/91/81/630399181.db2.gz ATIOJBRYJDIEBT-AWEZNQCLSA-N 1 0 313.401 3.330 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@H](N)c2ccc(C(C)C)cc2)c1O ZINC000841037458 630399865 /nfs/dbraw/zinc/39/98/65/630399865.db2.gz QPZNKIHABKXUCK-QGZVFWFLSA-N 1 0 314.429 3.314 20 10 DGCDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000841035409 630399971 /nfs/dbraw/zinc/39/99/71/630399971.db2.gz NJLRZCJROLLYIZ-UZLBHIALSA-N 1 0 309.457 3.236 20 10 DGCDRO CCOCc1cc(CN[C@@H](C[NH3+])C2CCCCC2)ccc1OC ZINC000841039480 630400760 /nfs/dbraw/zinc/40/07/60/630400760.db2.gz QWJJLNDGTJTUCS-SFHVURJKSA-N 1 0 320.477 3.229 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000841043230 630400974 /nfs/dbraw/zinc/40/09/74/630400974.db2.gz PLGOBXSFZGUCOH-FQEVSTJZSA-N 1 0 320.440 3.090 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cccc(Cl)c2F)cc1 ZINC000841044901 630401154 /nfs/dbraw/zinc/40/11/54/630401154.db2.gz ZSDAYVCXPPWVTB-MRXNPFEDSA-N 1 0 321.827 3.335 20 10 DGCDRO Cc1cc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(C)s1 ZINC000841044917 630401220 /nfs/dbraw/zinc/40/12/20/630401220.db2.gz FYBDQAIPSWXVDM-KRWDZBQOSA-N 1 0 303.475 3.221 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000841045305 630401248 /nfs/dbraw/zinc/40/12/48/630401248.db2.gz JRVQKYCZJGECGW-QRVBRYPASA-N 1 0 301.478 3.311 20 10 DGCDRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045534 630401809 /nfs/dbraw/zinc/40/18/09/630401809.db2.gz MKZQKWLUGHQZAA-SWLSCSKDSA-N 1 0 317.399 3.463 20 10 DGCDRO CCC[NH2+]CCNCc1ccc(OCc2ccccc2)cc1O ZINC000841047285 630401921 /nfs/dbraw/zinc/40/19/21/630401921.db2.gz ZBGMVOUQGAKYRM-UHFFFAOYSA-N 1 0 314.429 3.060 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841069361 630404253 /nfs/dbraw/zinc/40/42/53/630404253.db2.gz VMWALLSBTJOXHT-INIZCTEOSA-N 1 0 302.805 3.022 20 10 DGCDRO CCOc1ccc(CN2C[C@H](C)[NH2+]Cc3ccccc32)c(O)c1 ZINC000841088892 630406980 /nfs/dbraw/zinc/40/69/80/630406980.db2.gz FIGLXDATJOIWQH-AWEZNQCLSA-N 1 0 312.413 3.289 20 10 DGCDRO [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1c1ccccc1F ZINC000841102975 630408663 /nfs/dbraw/zinc/40/86/63/630408663.db2.gz BBMVDOJFTZAENP-GOEBONIOSA-N 1 0 320.795 3.111 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841746554 630461675 /nfs/dbraw/zinc/46/16/75/630461675.db2.gz HTTBRQAZQWDNMV-WFASDCNBSA-N 1 0 305.805 3.300 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000841752001 630462237 /nfs/dbraw/zinc/46/22/37/630462237.db2.gz PWDWZITWMNUHAK-XHDPSFHLSA-N 1 0 323.795 3.439 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(Cl)cc1O ZINC000841752283 630462253 /nfs/dbraw/zinc/46/22/53/630462253.db2.gz SBGBQGNHDSGUQL-DGCLKSJQSA-N 1 0 311.809 3.382 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(C)C ZINC000841755510 630462434 /nfs/dbraw/zinc/46/24/34/630462434.db2.gz HZAKEPTXGOOFLJ-ABAIWWIYSA-N 1 0 312.841 3.199 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)c1O ZINC000841761733 630463292 /nfs/dbraw/zinc/46/32/92/630463292.db2.gz KLNYNFXAJKXEAT-CMPLNLGQSA-N 1 0 318.795 3.344 20 10 DGCDRO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(Cl)cc1O ZINC000841765449 630463780 /nfs/dbraw/zinc/46/37/80/630463780.db2.gz YNPHNGWNSSXOCI-VIFPVBQESA-N 1 0 310.747 3.190 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(N(C)C)cc1 ZINC000841771611 630463919 /nfs/dbraw/zinc/46/39/19/630463919.db2.gz ZWXOSPWMFZDJGI-GDBMZVCRSA-N 1 0 311.420 3.133 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000842622192 630555256 /nfs/dbraw/zinc/55/52/56/630555256.db2.gz GRHZKRQZAWMPNS-GOSISDBHSA-N 1 0 315.438 3.253 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C1(c3cccc(F)c3)CCC1)OCO2 ZINC000842744218 630570586 /nfs/dbraw/zinc/57/05/86/630570586.db2.gz QYAYCSSPMPTBNC-UHFFFAOYSA-N 1 0 315.344 3.429 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CCO)c2ccccc2F)cc1C ZINC000842763960 630573194 /nfs/dbraw/zinc/57/31/94/630573194.db2.gz PLEBAYCJCVFSJK-QGZVFWFLSA-N 1 0 303.377 3.361 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](CCO)c2ccccc2F)c(O)c1 ZINC000842763582 630573576 /nfs/dbraw/zinc/57/35/76/630573576.db2.gz OGCYVDSTVCNGLL-QGZVFWFLSA-N 1 0 319.376 3.143 20 10 DGCDRO Fc1cc(C[NH2+]CC2CCC(F)CC2)ccc1N1CCOCC1 ZINC000842780612 630575794 /nfs/dbraw/zinc/57/57/94/630575794.db2.gz XTBONXAPWVYVDD-UHFFFAOYSA-N 1 0 324.415 3.280 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(Cl)cc1O ZINC000842881974 630589087 /nfs/dbraw/zinc/58/90/87/630589087.db2.gz MWAXBKZGDOJDHS-GWCFXTLKSA-N 1 0 310.825 3.096 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O ZINC000842885355 630589587 /nfs/dbraw/zinc/58/95/87/630589587.db2.gz NWLQGBUAEZTDAE-ZWNOBZJWSA-N 1 0 310.825 3.096 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)c1O ZINC000842930718 630595075 /nfs/dbraw/zinc/59/50/75/630595075.db2.gz ZOBZFXQAQMPVIH-NHCYSSNCSA-N 1 0 314.223 3.291 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043631 630607575 /nfs/dbraw/zinc/60/75/75/630607575.db2.gz AESLHUIARJGCFU-UHFFFAOYSA-N 1 0 313.489 3.393 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843044785 630607634 /nfs/dbraw/zinc/60/76/34/630607634.db2.gz JFTAFKNSBIQHNR-QUCCMNQESA-N 1 0 315.505 3.497 20 10 DGCDRO CCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000843044166 630607752 /nfs/dbraw/zinc/60/77/52/630607752.db2.gz GAKAYBKVSLVABR-AATRIKPKSA-N 1 0 301.478 3.230 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045986 630608201 /nfs/dbraw/zinc/60/82/01/630608201.db2.gz SACSSDKKCSADLR-BBRMVZONSA-N 1 0 308.853 3.318 20 10 DGCDRO CC[C@H]1CN(Cc2ccc(N(CC)CC)c(F)c2)CC[C@@H]1[NH3+] ZINC000843051987 630609028 /nfs/dbraw/zinc/60/90/28/630609028.db2.gz JMPDZTXWUCKZSP-RDJZCZTQSA-N 1 0 307.457 3.231 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(N)nc1 ZINC000843059508 630609878 /nfs/dbraw/zinc/60/98/78/630609878.db2.gz NILUNWQNDDKQRW-UHFFFAOYSA-N 1 0 310.445 3.286 20 10 DGCDRO CC(C)N(C)c1ccc(CN2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000843058419 630610091 /nfs/dbraw/zinc/61/00/91/630610091.db2.gz SGLCLVQPRQIKIU-UHFFFAOYSA-N 1 0 324.472 3.338 20 10 DGCDRO CN(C)c1ccc(CN2CCC(C)([NH3+])CC2)c(C(F)(F)F)c1 ZINC000843108905 630614454 /nfs/dbraw/zinc/61/44/54/630614454.db2.gz WAPJKHRQLKZLKR-UHFFFAOYSA-N 1 0 315.383 3.085 20 10 DGCDRO [NH3+][C@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000843346740 630648360 /nfs/dbraw/zinc/64/83/60/630648360.db2.gz YGECYUVXNGBOOK-AWEZNQCLSA-N 1 0 323.400 3.074 20 10 DGCDRO CC(C)CCc1noc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843349816 630648950 /nfs/dbraw/zinc/64/89/50/630648950.db2.gz DWPNJNKPWDRSRB-UHFFFAOYSA-N 1 0 314.433 3.070 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1O ZINC000843416372 630654262 /nfs/dbraw/zinc/65/42/62/630654262.db2.gz QDWJGYHDIJPRNP-KRWDZBQOSA-N 1 0 313.397 3.444 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCO[C@@]3(CCSC3)C2)c1O ZINC000843418767 630654968 /nfs/dbraw/zinc/65/49/68/630654968.db2.gz YINNRCKXHJNDPE-HNNXBMFYSA-N 1 0 313.850 3.062 20 10 DGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCC[NH3+] ZINC000843486770 630662166 /nfs/dbraw/zinc/66/21/66/630662166.db2.gz VOURSHIPHAPIME-HNNXBMFYSA-N 1 0 312.413 3.221 20 10 DGCDRO C[NH2+]CCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843488159 630662427 /nfs/dbraw/zinc/66/24/27/630662427.db2.gz RXYOSYUMPBOENO-OAHLLOKOSA-N 1 0 312.413 3.092 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843506579 630663455 /nfs/dbraw/zinc/66/34/55/630663455.db2.gz ZELXKPIMRQWLQZ-RYUDHWBXSA-N 1 0 317.408 3.089 20 10 DGCDRO CCc1ccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)nc1 ZINC000844401840 630724869 /nfs/dbraw/zinc/72/48/69/630724869.db2.gz NNOUFDFOHIQBMU-UHFFFAOYSA-N 1 0 313.445 3.221 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(O)c(C(C)(C)C)c1 ZINC000844752567 630835899 /nfs/dbraw/zinc/83/58/99/630835899.db2.gz OVEWYMHNHPWSJF-OKILXGFUSA-N 1 0 311.372 3.395 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1OC ZINC000844751537 630836213 /nfs/dbraw/zinc/83/62/13/630836213.db2.gz URRYGCUVIUXBLL-OAHLLOKOSA-N 1 0 313.344 3.031 20 10 DGCDRO COc1ccc(CN2CCCc3cc(C[NH3+])ccc32)c(F)c1 ZINC000844902664 630973055 /nfs/dbraw/zinc/97/30/55/630973055.db2.gz RYJWFMNWPBDZHA-UHFFFAOYSA-N 1 0 300.377 3.246 20 10 DGCDRO C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000844922015 630982654 /nfs/dbraw/zinc/98/26/54/630982654.db2.gz YYNVEZSFKONQOI-SNVBAGLBSA-N 1 0 302.340 3.191 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)cc1[O-] ZINC000844925856 630988121 /nfs/dbraw/zinc/98/81/21/630988121.db2.gz VWCLYWSBAUBYAS-MRXNPFEDSA-N 1 0 306.356 3.370 20 10 DGCDRO c1cc2c(c(C[NH2+]Cc3ccc(N4CCOCC4)cc3)c1)CCC2 ZINC000845924860 631202292 /nfs/dbraw/zinc/20/22/92/631202292.db2.gz GBNLSGIURJPOBJ-UHFFFAOYSA-N 1 0 322.452 3.302 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2ccc(C)nc2)c1 ZINC000845970830 631204189 /nfs/dbraw/zinc/20/41/89/631204189.db2.gz CPOAWJLSIPINRR-CQSZACIVSA-N 1 0 300.402 3.388 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)cc(OC)nc2C)c1 ZINC000845972488 631204284 /nfs/dbraw/zinc/20/42/84/631204284.db2.gz QXUCAEUKXGBBGC-LBPRGKRZSA-N 1 0 316.401 3.272 20 10 DGCDRO COc1ccc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)nc1 ZINC000845996215 631205082 /nfs/dbraw/zinc/20/50/82/631205082.db2.gz NCERRGPGUYTQSP-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO CC[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccccc1O ZINC000846012374 631205945 /nfs/dbraw/zinc/20/59/45/631205945.db2.gz YXGTUBBNQRGTIN-ICSRJNTNSA-N 1 0 311.425 3.309 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1ccccc1F ZINC000846018270 631206272 /nfs/dbraw/zinc/20/62/72/631206272.db2.gz SGQDPFRSZKOVON-MGPLVRAMSA-N 1 0 309.768 3.396 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000846039243 631207558 /nfs/dbraw/zinc/20/75/58/631207558.db2.gz PZRPHYZVIJPBKZ-AUUYWEPGSA-N 1 0 315.413 3.177 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(F)nc2C)cc1 ZINC000846052898 631208423 /nfs/dbraw/zinc/20/84/23/631208423.db2.gz UQHYJLZVDBHMOU-UHFFFAOYSA-N 1 0 317.408 3.106 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCc3ccc(C)cc32)cc1OC ZINC000846055445 631208530 /nfs/dbraw/zinc/20/85/30/631208530.db2.gz MCWLNNCUNUQOHL-MRXNPFEDSA-N 1 0 313.397 3.495 20 10 DGCDRO Cn1cc(C[NH2+]Cc2cc(Cl)ccc2O)c(C(C)(C)C)n1 ZINC000846057231 631208666 /nfs/dbraw/zinc/20/86/66/631208666.db2.gz FSHMRPMQDLSLOL-UHFFFAOYSA-N 1 0 307.825 3.366 20 10 DGCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000846111292 631210121 /nfs/dbraw/zinc/21/01/21/631210121.db2.gz LDFVTGDJBIXGOB-PHIMTYICSA-N 1 0 318.161 3.160 20 10 DGCDRO COCc1ccccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846136686 631211318 /nfs/dbraw/zinc/21/13/18/631211318.db2.gz NBJPWYHMNKPMLR-CYBMUJFWSA-N 1 0 301.386 3.398 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1O ZINC000846136058 631211370 /nfs/dbraw/zinc/21/13/70/631211370.db2.gz HRXWOYDXHVBXLM-ABAIWWIYSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c1O ZINC000846138621 631211406 /nfs/dbraw/zinc/21/14/06/631211406.db2.gz LSQXLWMMBXQIPX-GDBMZVCRSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)c1O ZINC000846138993 631211412 /nfs/dbraw/zinc/21/14/12/631211412.db2.gz ZIHZASXRHFYYHC-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO COCc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846140118 631211518 /nfs/dbraw/zinc/21/15/18/631211518.db2.gz GKZKHHOMQRQXCS-ZDUSSCGKSA-N 1 0 301.386 3.398 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CN2CCC[C@H](C)C2)c1O ZINC000846143524 631211928 /nfs/dbraw/zinc/21/19/28/631211928.db2.gz JGHAEFMHUYDTMS-KKUMJFAQSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1O ZINC000846143611 631211955 /nfs/dbraw/zinc/21/19/55/631211955.db2.gz JWOGBGDGYNTWBL-FPCVCCKLSA-N 1 0 320.477 3.418 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1O ZINC000846148129 631212099 /nfs/dbraw/zinc/21/20/99/631212099.db2.gz XHALAJNVELPPOR-LBPRGKRZSA-N 1 0 316.357 3.202 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1O ZINC000846156367 631212592 /nfs/dbraw/zinc/21/25/92/631212592.db2.gz DWCDZKYHQLHYJI-LBPRGKRZSA-N 1 0 316.357 3.202 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1O ZINC000846157460 631212733 /nfs/dbraw/zinc/21/27/33/631212733.db2.gz CDYYBCPZSQXPJQ-AADNMHCOSA-N 1 0 303.402 3.009 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1O ZINC000846157464 631212759 /nfs/dbraw/zinc/21/27/59/631212759.db2.gz CDYYBCPZSQXPJQ-XYZKALLWSA-N 1 0 303.402 3.009 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1O ZINC000846165687 631212967 /nfs/dbraw/zinc/21/29/67/631212967.db2.gz XQCVWQWLRHKRGG-UYHISHBKSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1O ZINC000846164960 631212984 /nfs/dbraw/zinc/21/29/84/631212984.db2.gz JKGGIIITZUVHPM-LBPRGKRZSA-N 1 0 316.357 3.468 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccncc2OC)c1O ZINC000846164107 631212997 /nfs/dbraw/zinc/21/29/97/631212997.db2.gz MQAOFTAQKAMFFG-VXGBXAGGSA-N 1 0 302.374 3.216 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)c1O ZINC000846165035 631213119 /nfs/dbraw/zinc/21/31/19/631213119.db2.gz KMHVMJGNBXMZJJ-FZKQIMNGSA-N 1 0 307.434 3.383 20 10 DGCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846169321 631213304 /nfs/dbraw/zinc/21/33/04/631213304.db2.gz GVBVYNFMRPNJKT-GHMZBOCLSA-N 1 0 321.339 3.409 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c1O ZINC000846167171 631213354 /nfs/dbraw/zinc/21/33/54/631213354.db2.gz HIXPRPOXMICEEY-ZBFHGGJFSA-N 1 0 315.413 3.045 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000846177717 631213769 /nfs/dbraw/zinc/21/37/69/631213769.db2.gz FILMTLTZOUALIC-IERDGZPVSA-N 1 0 324.468 3.280 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@](C)(O)c1ccccc1 ZINC000846186534 631214154 /nfs/dbraw/zinc/21/41/54/631214154.db2.gz GXHFRWCPCPPBRF-JCGVRSQUSA-N 1 0 303.377 3.478 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)c1O ZINC000846189839 631214386 /nfs/dbraw/zinc/21/43/86/631214386.db2.gz UTVMMAACLSXYJI-SJCJKPOMSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C2CCC2)c1O ZINC000848534394 631681843 /nfs/dbraw/zinc/68/18/43/631681843.db2.gz PKRKGBBSGWVBTR-QMMMGPOBSA-N 1 0 300.196 3.366 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H](C)SC3)C2)cc1 ZINC000848553339 631690927 /nfs/dbraw/zinc/69/09/27/631690927.db2.gz LYAMLADAAYXWQV-ARFHVFGLSA-N 1 0 320.502 3.395 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cc1F ZINC000848560621 631692640 /nfs/dbraw/zinc/69/26/40/631692640.db2.gz OXMRIRCCUOYKJK-MSOLQXFVSA-N 1 0 306.425 3.329 20 10 DGCDRO C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC000848562107 631693791 /nfs/dbraw/zinc/69/37/91/631693791.db2.gz HCOYTYKUXPWYNG-NXEZZACHSA-N 1 0 315.360 3.299 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC000848562110 631693981 /nfs/dbraw/zinc/69/39/81/631693981.db2.gz HCOYTYKUXPWYNG-UWVGGRQHSA-N 1 0 315.360 3.299 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000848563859 631694104 /nfs/dbraw/zinc/69/41/04/631694104.db2.gz XZNACCVYHBULSJ-NEPJUHHUSA-N 1 0 309.406 3.029 20 10 DGCDRO CCc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1O ZINC000848879744 631768139 /nfs/dbraw/zinc/76/81/39/631768139.db2.gz AZNJYCIHKLANAE-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO CCc1cccc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)OC)c1O ZINC000848891375 631774292 /nfs/dbraw/zinc/77/42/92/631774292.db2.gz QDJQIBSPAQXUCW-YJBOKZPZSA-N 1 0 305.418 3.166 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000848894092 631775624 /nfs/dbraw/zinc/77/56/24/631775624.db2.gz CFBXYTUMYJKEIV-NSHDSACASA-N 1 0 311.385 3.387 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@@H]([S@](=O)CC)C2)c1O ZINC000848897415 631777732 /nfs/dbraw/zinc/77/77/32/631777732.db2.gz ILYSMEPHQAYYRG-WHSLLNHNSA-N 1 0 309.475 3.124 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1O ZINC000848896396 631777797 /nfs/dbraw/zinc/77/77/97/631777797.db2.gz AIVKCUZNCGNPBS-SFHVURJKSA-N 1 0 321.367 3.230 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](CCO)c2ccc(OC)cc2)c1O ZINC000848899703 631778977 /nfs/dbraw/zinc/77/89/77/631778977.db2.gz IKXHVOAGWGSPLL-GOSISDBHSA-N 1 0 315.413 3.177 20 10 DGCDRO CCc1cccc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)c1O ZINC000848917954 631786893 /nfs/dbraw/zinc/78/68/93/631786893.db2.gz LFUHBTFMZVBMKE-UHFFFAOYSA-N 1 0 302.422 3.152 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2cccc(N)c2)ccc1OC ZINC000849350217 631900253 /nfs/dbraw/zinc/90/02/53/631900253.db2.gz MGBPLXKALWGGFJ-UHFFFAOYSA-N 1 0 300.402 3.104 20 10 DGCDRO COc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1C ZINC000849350118 631900613 /nfs/dbraw/zinc/90/06/13/631900613.db2.gz QJUFHESRTCACNN-RTBURBONSA-N 1 0 310.441 3.239 20 10 DGCDRO COc1cc(C[NH2+]CCCn2cccn2)c(O)c(C(C)(C)C)c1 ZINC000850023295 632031858 /nfs/dbraw/zinc/03/18/58/632031858.db2.gz IJRCZXANAOXJBD-UHFFFAOYSA-N 1 0 317.433 3.075 20 10 DGCDRO COc1cc(C[NH2+][C@@H](CO)CC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850072287 632047556 /nfs/dbraw/zinc/04/75/56/632047556.db2.gz RHRXAQADJMAOFL-CQSZACIVSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+]CCN(C)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850113627 632059472 /nfs/dbraw/zinc/05/94/72/632059472.db2.gz OYTCQWYOGGCBKN-UHFFFAOYSA-N 1 0 308.466 3.128 20 10 DGCDRO COc1cc(C[NH2+]C2CCC(C)(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850175990 632072393 /nfs/dbraw/zinc/07/23/93/632072393.db2.gz RHVUDIFGOCTCDE-UHFFFAOYSA-N 1 0 321.461 3.482 20 10 DGCDRO COc1cc(C[NH2+][C@H]2COC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850342760 632119110 /nfs/dbraw/zinc/11/91/10/632119110.db2.gz VOHGPDARTMMALD-CYBMUJFWSA-N 1 0 307.434 3.355 20 10 DGCDRO CCOc1cccc(C[NH2+]CCc2noc3ccccc23)c1O ZINC000850342093 632119456 /nfs/dbraw/zinc/11/94/56/632119456.db2.gz GZBPIGIXXFZMJM-UHFFFAOYSA-N 1 0 312.369 3.264 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3)C2)cc1 ZINC000850346418 632119961 /nfs/dbraw/zinc/11/99/61/632119961.db2.gz UUILILJOYMILQD-CQSZACIVSA-N 1 0 318.367 3.342 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C)s3)C2)cc1 ZINC000850346286 632120035 /nfs/dbraw/zinc/12/00/35/632120035.db2.gz RSWQCMRHFKXFTH-AWEZNQCLSA-N 1 0 302.443 3.434 20 10 DGCDRO CCOCc1cc(C[NH2+]C2(COC)CCCC2)ccc1OC ZINC000850345417 632120248 /nfs/dbraw/zinc/12/02/48/632120248.db2.gz ZOHXIVXNIIEWSW-UHFFFAOYSA-N 1 0 307.434 3.281 20 10 DGCDRO COc1cccc(OC)c1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000850356716 632123355 /nfs/dbraw/zinc/12/33/55/632123355.db2.gz ZYZJGJWSCBQHMJ-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO C[C@]1(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1(F)F ZINC000850380267 632133022 /nfs/dbraw/zinc/13/30/22/632133022.db2.gz CXLUEPLIRIDGQP-INIZCTEOSA-N 1 0 310.388 3.048 20 10 DGCDRO COc1cc(C[NH2+]C[C@H](CO)CC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850389034 632137000 /nfs/dbraw/zinc/13/70/00/632137000.db2.gz RWVDTIHJSCJIPX-CQSZACIVSA-N 1 0 321.461 3.197 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC1(C)C ZINC000850406459 632142399 /nfs/dbraw/zinc/14/23/99/632142399.db2.gz HFYNLTPYFPCXFK-KDOFPFPSSA-N 1 0 302.462 3.172 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1O ZINC000850408835 632143182 /nfs/dbraw/zinc/14/31/82/632143182.db2.gz FZYNALMEIGWPEA-CGTJXYLNSA-N 1 0 313.372 3.358 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCN2Cc2ccccc2)cc1C ZINC000850417042 632145974 /nfs/dbraw/zinc/14/59/74/632145974.db2.gz UKPUNPHJFUBTQA-LJQANCHMSA-N 1 0 310.441 3.373 20 10 DGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850424586 632148410 /nfs/dbraw/zinc/14/84/10/632148410.db2.gz LHYHJPIBKVJYNK-MRXNPFEDSA-N 1 0 318.486 3.041 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)C(F)F ZINC000850427612 632149306 /nfs/dbraw/zinc/14/93/06/632149306.db2.gz XJIOJWMTWSSTSD-CYBMUJFWSA-N 1 0 312.404 3.293 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000850474258 632163493 /nfs/dbraw/zinc/16/34/93/632163493.db2.gz KXZWEUQQHAUWSA-QAPCUYQASA-N 1 0 300.446 3.444 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(Br)cc1O ZINC000850483591 632166257 /nfs/dbraw/zinc/16/62/57/632166257.db2.gz ZUDVJOCXLINFBO-KOLCDFICSA-N 1 0 314.223 3.373 20 10 DGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@@H]1CCOC1 ZINC000850484375 632166770 /nfs/dbraw/zinc/16/67/70/632166770.db2.gz HZLAXCJEBGKTPH-JCKWVBRZSA-N 1 0 315.413 3.248 20 10 DGCDRO COC[C@@H](CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)OC ZINC000850485564 632166887 /nfs/dbraw/zinc/16/68/87/632166887.db2.gz LBZOLQAMWQZYDJ-VQIMIIECSA-N 1 0 320.477 3.379 20 10 DGCDRO COC[C@@H](CC[NH2+][C@@H](C)c1ccc2ccccc2c1O)OC ZINC000850485190 632167192 /nfs/dbraw/zinc/16/71/92/632167192.db2.gz CLFACKOGAOQMRM-DZGCQCFKSA-N 1 0 303.402 3.248 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)cc1 ZINC000850486510 632167639 /nfs/dbraw/zinc/16/76/39/632167639.db2.gz IFHIQMORYNPHCY-YJBOKZPZSA-N 1 0 324.424 3.257 20 10 DGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487904 632168231 /nfs/dbraw/zinc/16/82/31/632168231.db2.gz JZUGMPUTZZSALQ-BXWFABGCSA-N 1 0 318.461 3.069 20 10 DGCDRO CCCC[C@H](COC)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850488904 632168388 /nfs/dbraw/zinc/16/83/88/632168388.db2.gz PDNQXYRPVIPUGU-JKSUJKDBSA-N 1 0 306.450 3.069 20 10 DGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487905 632168594 /nfs/dbraw/zinc/16/85/94/632168594.db2.gz JZUGMPUTZZSALQ-FCEWJHQRSA-N 1 0 318.461 3.069 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)C1CCOCC1 ZINC000850494672 632170862 /nfs/dbraw/zinc/17/08/62/632170862.db2.gz VYEUIFUKOYJGRN-WMLDXEAASA-N 1 0 307.434 3.101 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c(O)c1C ZINC000850501893 632173335 /nfs/dbraw/zinc/17/33/35/632173335.db2.gz QYVZXGHXCUMUHX-TYTKBFJVSA-N 1 0 309.475 3.349 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(O)c1C ZINC000850501896 632173742 /nfs/dbraw/zinc/17/37/42/632173742.db2.gz QYVZXGHXCUMUHX-WPLACJGDSA-N 1 0 309.475 3.349 20 10 DGCDRO COC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccc(OC)c1 ZINC000850512782 632175546 /nfs/dbraw/zinc/17/55/46/632175546.db2.gz BACIKKPNOQVUCH-DLBZAZTESA-N 1 0 313.397 3.365 20 10 DGCDRO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc2c(cc1O)CCCC2 ZINC000850520878 632177870 /nfs/dbraw/zinc/17/78/70/632177870.db2.gz HXRQIGCBCCQEEW-BDJLRTHQSA-N 1 0 311.372 3.346 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2c(C3CC3)cnn2C)c2c1c(F)ccc2O ZINC000850535599 632184788 /nfs/dbraw/zinc/18/47/88/632184788.db2.gz XRRHKDLLUYEDOC-IINYFYTJSA-N 1 0 315.392 3.480 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3cc(F)ccc3C2)c1 ZINC000850537031 632185843 /nfs/dbraw/zinc/18/58/43/632185843.db2.gz MJEXWIGFJRVUNI-WFASDCNBSA-N 1 0 301.361 3.494 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000850537888 632186158 /nfs/dbraw/zinc/18/61/58/632186158.db2.gz AVRUUCKBDNQMQE-HUUCEWRRSA-N 1 0 318.461 3.458 20 10 DGCDRO COc1ccnc(CN[C@H](C)c2ccc(Cl)cc2O)c1F ZINC000850537471 632186338 /nfs/dbraw/zinc/18/63/38/632186338.db2.gz VQBPJBYKMDHHBW-SECBINFHSA-N 1 0 310.756 3.439 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2)c1O ZINC000850538663 632186717 /nfs/dbraw/zinc/18/67/17/632186717.db2.gz JQIFLJISWVTSLR-CABCVRRESA-N 1 0 318.461 3.458 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1cc(F)ccc1O ZINC000850541088 632186767 /nfs/dbraw/zinc/18/67/67/632186767.db2.gz ROOICCDSPAQWOX-JDFRZJQESA-N 1 0 317.408 3.327 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1O ZINC000850538666 632186928 /nfs/dbraw/zinc/18/69/28/632186928.db2.gz JQIFLJISWVTSLR-LSDHHAIUSA-N 1 0 318.461 3.458 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1O ZINC000850538665 632187061 /nfs/dbraw/zinc/18/70/61/632187061.db2.gz JQIFLJISWVTSLR-HUUCEWRRSA-N 1 0 318.461 3.458 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCN(C3CCCCC3)C1)CC2 ZINC000850538925 632187087 /nfs/dbraw/zinc/18/70/87/632187087.db2.gz OGWGKIGDIHOKQL-NVXWUHKLSA-N 1 0 300.446 3.376 20 10 DGCDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000850550118 632190227 /nfs/dbraw/zinc/19/02/27/632190227.db2.gz LGAFYYOXKBQMSO-OAHLLOKOSA-N 1 0 319.449 3.026 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000850567168 632196426 /nfs/dbraw/zinc/19/64/26/632196426.db2.gz XTFSRFLECJPUHP-HNNXBMFYSA-N 1 0 302.462 3.316 20 10 DGCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565918 632196630 /nfs/dbraw/zinc/19/66/30/632196630.db2.gz JQHSYDRHADMLKN-VQIMIIECSA-N 1 0 302.462 3.316 20 10 DGCDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000850571157 632198039 /nfs/dbraw/zinc/19/80/39/632198039.db2.gz NWGFYMAQFKVVRX-JLZZUVOBSA-N 1 0 324.852 3.005 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c(O)c1 ZINC000850573905 632199218 /nfs/dbraw/zinc/19/92/18/632199218.db2.gz STPSBAAEZQTJBF-HNNXBMFYSA-N 1 0 318.461 3.486 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1 ZINC000850582287 632201971 /nfs/dbraw/zinc/20/19/71/632201971.db2.gz DBLRGQDUXNTFLX-JCGVRSQUSA-N 1 0 301.386 3.174 20 10 DGCDRO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccccc1O ZINC000109770782 632316539 /nfs/dbraw/zinc/31/65/39/632316539.db2.gz DWCRJUDRVVADKT-LLVKDONJSA-N 1 0 320.339 3.129 20 10 DGCDRO CCC[N@H+](CCCC(=O)NCC(C)C)Cc1ccccc1O ZINC000851791832 632494210 /nfs/dbraw/zinc/49/42/10/632494210.db2.gz HDVHCAOZMYVLKT-UHFFFAOYSA-N 1 0 306.450 3.157 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000184789120 660186416 /nfs/dbraw/zinc/18/64/16/660186416.db2.gz YLTAHMAMOOHOTE-LJQANCHMSA-N 1 0 311.425 3.474 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000310196866 655891891 /nfs/dbraw/zinc/89/18/91/655891891.db2.gz ZGKDRESCRQYBGI-SNVBAGLBSA-N 1 0 306.150 3.432 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000185195586 660206748 /nfs/dbraw/zinc/20/67/48/660206748.db2.gz OBKFSBMZKIHWLM-FUHWJXTLSA-N 1 0 307.434 3.474 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](c1ccccc1)N(C)C ZINC000185678843 660236423 /nfs/dbraw/zinc/23/64/23/660236423.db2.gz VOVAQOYIVXMHTK-QRWLVFNGSA-N 1 0 310.441 3.403 20 10 DGCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185791053 660242277 /nfs/dbraw/zinc/24/22/77/660242277.db2.gz QDIJVLHHCNANGT-CHWSQXEVSA-N 1 0 321.442 3.019 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)c1 ZINC000186147568 660270363 /nfs/dbraw/zinc/27/03/63/660270363.db2.gz QHJRZWMKNJTLHB-CKFHNAJUSA-N 1 0 315.413 3.044 20 10 DGCDRO CC[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998576522 660394459 /nfs/dbraw/zinc/39/44/59/660394459.db2.gz FXHKJDMDPFYGTL-PBHICJAKSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1cc(F)ccc1O ZINC000186478542 660446664 /nfs/dbraw/zinc/44/66/64/660446664.db2.gz SGXYKLWAJXZIAW-GFCCVEGCSA-N 1 0 313.376 3.311 20 10 DGCDRO CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001004662361 660564623 /nfs/dbraw/zinc/56/46/23/660564623.db2.gz ZDNNDAKPBJQVRZ-WBVHZDCISA-N 1 0 318.461 3.273 20 10 DGCDRO CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001035876987 660858766 /nfs/dbraw/zinc/85/87/66/660858766.db2.gz ZAFRLJNEXNYAFP-DOTOQJQBSA-N 1 0 318.461 3.130 20 10 DGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1c(O)cccc1Br)OC ZINC000706799907 660871380 /nfs/dbraw/zinc/87/13/80/660871380.db2.gz HZNZZVWDPSGZIR-YGRLFVJLSA-N 1 0 316.239 3.305 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CC1CCSCC1 ZINC000706830334 660874289 /nfs/dbraw/zinc/87/42/89/660874289.db2.gz QMSLVRPMRZYXBY-UHFFFAOYSA-N 1 0 316.264 3.388 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CC1CC(F)(F)C1 ZINC000706835789 660874552 /nfs/dbraw/zinc/87/45/52/660874552.db2.gz SCAPYQQHFFIGFU-UHFFFAOYSA-N 1 0 306.150 3.290 20 10 DGCDRO C[C@H]1SCC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706871998 660875957 /nfs/dbraw/zinc/87/59/57/660875957.db2.gz BAZPFESCJROXGZ-LDYMZIIASA-N 1 0 302.237 3.138 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CCC[C@@H]1CCOC1 ZINC000706842140 660877116 /nfs/dbraw/zinc/87/71/16/660877116.db2.gz PHFVAPCLFNWNBY-LLVKDONJSA-N 1 0 314.223 3.061 20 10 DGCDRO COC1(C)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000707141300 660887474 /nfs/dbraw/zinc/88/74/74/660887474.db2.gz ZJTKWSOADKEVOO-UHFFFAOYSA-N 1 0 314.223 3.156 20 10 DGCDRO Cc1cc(F)ccc1C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000792707522 660981001 /nfs/dbraw/zinc/98/10/01/660981001.db2.gz OXLCPGGDIHFSSM-UHFFFAOYSA-N 1 0 303.333 3.200 20 10 DGCDRO COCCC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792795955 660985233 /nfs/dbraw/zinc/98/52/33/660985233.db2.gz LFMIKVRIWROAFX-UHFFFAOYSA-N 1 0 304.356 3.240 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H](C)O ZINC000792810745 660986134 /nfs/dbraw/zinc/98/61/34/660986134.db2.gz XQTKRMJEOUMJRQ-GFCCVEGCSA-N 1 0 318.383 3.363 20 10 DGCDRO CO[C@H](C)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792952449 660996580 /nfs/dbraw/zinc/99/65/80/660996580.db2.gz ZMPMECFUAFXPJE-LLVKDONJSA-N 1 0 304.356 3.286 20 10 DGCDRO CCC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792972781 660997742 /nfs/dbraw/zinc/99/77/42/660997742.db2.gz CQEPVDOTMKZBNU-ZDUSSCGKSA-N 1 0 304.356 3.022 20 10 DGCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793170204 661009496 /nfs/dbraw/zinc/00/94/96/661009496.db2.gz YWZZYKPWJNGQNO-WDEREUQCSA-N 1 0 304.356 3.284 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000793192048 661011730 /nfs/dbraw/zinc/01/17/30/661011730.db2.gz OYHDWTGATJHLQX-UWWQBHOKSA-N 1 0 318.461 3.340 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000793232572 661015721 /nfs/dbraw/zinc/01/57/21/661015721.db2.gz YUPALNDFGJAHJW-GXSJLCMTSA-N 1 0 319.323 3.182 20 10 DGCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000793347290 661025877 /nfs/dbraw/zinc/02/58/77/661025877.db2.gz RWXPPCUQACYHQJ-CABCVRRESA-N 1 0 306.425 3.188 20 10 DGCDRO Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)cc(C)c2O)o1 ZINC000793367340 661027646 /nfs/dbraw/zinc/02/76/46/661027646.db2.gz ZHIBYMSBSBRZEE-UHFFFAOYSA-N 1 0 309.793 3.250 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)c(O)c1 ZINC000793388553 661029327 /nfs/dbraw/zinc/02/93/27/661029327.db2.gz PQMMZCNECLUBNU-UHFFFAOYSA-N 1 0 323.776 3.058 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)c(O)c1 ZINC000793386229 661029371 /nfs/dbraw/zinc/02/93/71/661029371.db2.gz JGASUQPXCBJPAH-UHFFFAOYSA-N 1 0 316.382 3.407 20 10 DGCDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000793602246 661048842 /nfs/dbraw/zinc/04/88/42/661048842.db2.gz VUJMSKLWDQNHPK-CYBMUJFWSA-N 1 0 320.433 3.014 20 10 DGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000793612276 661049844 /nfs/dbraw/zinc/04/98/44/661049844.db2.gz SGOUGLDXOWBXPH-UHFFFAOYSA-N 1 0 305.809 3.457 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000793744006 661054974 /nfs/dbraw/zinc/05/49/74/661054974.db2.gz PDNPIWUBWYXWHQ-MRXNPFEDSA-N 1 0 312.413 3.189 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1C(C)C ZINC000794707406 661100092 /nfs/dbraw/zinc/10/00/92/661100092.db2.gz RWIORVCONDVEOQ-HNAYVOBHSA-N 1 0 319.445 3.204 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1C(C)C ZINC000794707404 661100464 /nfs/dbraw/zinc/10/04/64/661100464.db2.gz RWIORVCONDVEOQ-BEFAXECRSA-N 1 0 319.445 3.204 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1O ZINC000794791926 661105215 /nfs/dbraw/zinc/10/52/15/661105215.db2.gz CQBMMUKKBFGFRA-AEFFLSMTSA-N 1 0 320.477 3.098 20 10 DGCDRO CC[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(C)cc1O ZINC000794799938 661105582 /nfs/dbraw/zinc/10/55/82/661105582.db2.gz ALNYXDJKTDXQKG-SFHVURJKSA-N 1 0 311.425 3.271 20 10 DGCDRO CC[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(C)cc1O ZINC000794804279 661106003 /nfs/dbraw/zinc/10/60/03/661106003.db2.gz ULKSEOURPKHLFB-CQSZACIVSA-N 1 0 305.447 3.464 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1O ZINC000794818596 661106983 /nfs/dbraw/zinc/10/69/83/661106983.db2.gz VRGOKIYMONDCNP-WMZOPIPTSA-N 1 0 317.404 3.484 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccn(CC)c1=O)c1ccc(C)cc1O ZINC000794829985 661107873 /nfs/dbraw/zinc/10/78/73/661107873.db2.gz XAFHMNNLZGJEKB-INIZCTEOSA-N 1 0 300.402 3.123 20 10 DGCDRO COc1ccc(CNc2cc(C)[nH+]c3ccc(F)cc23)c(O)c1 ZINC000795292576 661138784 /nfs/dbraw/zinc/13/87/84/661138784.db2.gz WBZALFSZKVFORN-UHFFFAOYSA-N 1 0 312.344 3.431 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000246849859 655525772 /nfs/dbraw/zinc/52/57/72/655525772.db2.gz BYFHATWNLSRRIA-OGWOLHLISA-N 1 0 301.478 3.419 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](C)COC)c1cc(Br)ccc1O ZINC000045656564 655626206 /nfs/dbraw/zinc/62/62/06/655626206.db2.gz CRIDQSKPJSTKRC-ZWNOBZJWSA-N 1 0 316.239 3.478 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)cc1OC ZINC000160373242 655626269 /nfs/dbraw/zinc/62/62/69/655626269.db2.gz ZFHJIWRNIXSPFO-OAHLLOKOSA-N 1 0 323.433 3.046 20 10 DGCDRO CNC(=O)C[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000795852698 661176245 /nfs/dbraw/zinc/17/62/45/661176245.db2.gz RKCJWMSYDJJHOE-YOEHRIQHSA-N 1 0 312.413 3.229 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccoc1 ZINC000178536548 655766717 /nfs/dbraw/zinc/76/67/17/655766717.db2.gz OMDOBFSDBLMOCE-CYBMUJFWSA-N 1 0 318.392 3.231 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000934392192 655773090 /nfs/dbraw/zinc/77/30/90/655773090.db2.gz UKRXLXAVMHSNPG-SFHVURJKSA-N 1 0 300.446 3.478 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1O ZINC000091859391 655846678 /nfs/dbraw/zinc/84/66/78/655846678.db2.gz KHKWTVBPNFIPAH-NXEZZACHSA-N 1 0 314.223 3.394 20 10 DGCDRO Cc1cccc(CC[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000280543488 655870530 /nfs/dbraw/zinc/87/05/30/655870530.db2.gz JKUYWDCMIGQXGP-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO COc1cc(C[N@@H+]2CCOC3(CCCCC3)C2)c(O)cc1C ZINC000179445268 655893188 /nfs/dbraw/zinc/89/31/88/655893188.db2.gz NAVGAMPOZGVYQT-UHFFFAOYSA-N 1 0 305.418 3.244 20 10 DGCDRO C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000179575492 655909116 /nfs/dbraw/zinc/90/91/16/655909116.db2.gz LEJLTWJKCRMSNU-MRXNPFEDSA-N 1 0 318.461 3.481 20 10 DGCDRO COCCC[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000178204763 655962162 /nfs/dbraw/zinc/96/21/62/655962162.db2.gz BRKHCQUVUYUWFB-OAHLLOKOSA-N 1 0 308.491 3.145 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000715105335 661208067 /nfs/dbraw/zinc/20/80/67/661208067.db2.gz WYGYHZTYRBQYSZ-CTYIDZIISA-N 1 0 320.433 3.094 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1cc(F)ccc1O ZINC000176980938 655970445 /nfs/dbraw/zinc/97/04/45/655970445.db2.gz GQEFORNBWIUFFB-GUYCJALGSA-N 1 0 302.393 3.485 20 10 DGCDRO COC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177284944 655973903 /nfs/dbraw/zinc/97/39/03/655973903.db2.gz JYVSDZRJAIAITL-LBPRGKRZSA-N 1 0 311.809 3.107 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1cc(F)ccc1O ZINC000716181097 661219638 /nfs/dbraw/zinc/21/96/38/661219638.db2.gz XSBMPXXFEYFZSO-YOEHRIQHSA-N 1 0 314.404 3.456 20 10 DGCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000186762985 656133395 /nfs/dbraw/zinc/13/33/95/656133395.db2.gz BEWXPRZKBXPIBL-RYUDHWBXSA-N 1 0 324.396 3.049 20 10 DGCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000186764993 656133679 /nfs/dbraw/zinc/13/36/79/656133679.db2.gz YNCCISSTZGQUHU-ZIAGYGMSSA-N 1 0 320.433 3.218 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC(c3ccncc3)CC2)c1O ZINC000191295964 656167887 /nfs/dbraw/zinc/16/78/87/656167887.db2.gz PIJAVLNZMJDORH-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000191585635 656170823 /nfs/dbraw/zinc/17/08/23/656170823.db2.gz HERLZNQUANFHEM-BBRMVZONSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000724910981 656529781 /nfs/dbraw/zinc/52/97/81/656529781.db2.gz BYQHSALYJMAOPV-ZIAGYGMSSA-N 1 0 320.433 3.361 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000724925211 656530610 /nfs/dbraw/zinc/53/06/10/656530610.db2.gz JUODFVNZULHSHF-DGCLKSJQSA-N 1 0 324.396 3.191 20 10 DGCDRO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000236977054 657031955 /nfs/dbraw/zinc/03/19/55/657031955.db2.gz HRRIENRDMWBKFM-OALUTQOASA-N 1 0 301.478 3.249 20 10 DGCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092093942 657414027 /nfs/dbraw/zinc/41/40/27/657414027.db2.gz MZNCVYJXOVAPLB-OAHLLOKOSA-N 1 0 305.418 3.256 20 10 DGCDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000305251150 657697700 /nfs/dbraw/zinc/69/77/00/657697700.db2.gz KEMMOOLRUYONFP-DOMZBBRYSA-N 1 0 307.434 3.131 20 10 DGCDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2O)CC1 ZINC000321877327 658359851 /nfs/dbraw/zinc/35/98/51/658359851.db2.gz ITUDBURAHQPECU-SHTZXODSSA-N 1 0 320.433 3.318 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)c1 ZINC000321976075 658409451 /nfs/dbraw/zinc/40/94/51/658409451.db2.gz BWAZOKZXLPZHCO-AWEZNQCLSA-N 1 0 315.413 3.472 20 10 DGCDRO CCC(CC)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001018542140 658569383 /nfs/dbraw/zinc/56/93/83/658569383.db2.gz QEIQZESYBZMJAO-KRWDZBQOSA-N 1 0 318.461 3.130 20 10 DGCDRO CC[C@@H](C)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000989967976 658648176 /nfs/dbraw/zinc/64/81/76/658648176.db2.gz PKARTHHZWHINPP-CQSZACIVSA-N 1 0 318.461 3.130 20 10 DGCDRO C/C=C(\C)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000990878984 658774868 /nfs/dbraw/zinc/77/48/68/658774868.db2.gz AKYCWHAOWIMXME-LHHJGKSTSA-N 1 0 316.445 3.050 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000155815293 658849980 /nfs/dbraw/zinc/84/99/80/658849980.db2.gz AMGJHNVOFOXYQL-ZFWWWQNUSA-N 1 0 320.433 3.442 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1cccnc1 ZINC000224536297 659021260 /nfs/dbraw/zinc/02/12/60/659021260.db2.gz MZIMJRUUOPJPOI-JTQLQIEISA-N 1 0 307.191 3.401 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)cc1 ZINC000157651099 659074334 /nfs/dbraw/zinc/07/43/34/659074334.db2.gz OCNZLAROFHONSN-MAUKXSAKSA-N 1 0 301.478 3.278 20 10 DGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C1(C)C ZINC000227832002 659165103 /nfs/dbraw/zinc/16/51/03/659165103.db2.gz SUQBGVBVDSLBRQ-QWHCGFSZSA-N 1 0 314.223 3.058 20 10 DGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1(C)C ZINC000227831998 659165235 /nfs/dbraw/zinc/16/52/35/659165235.db2.gz SUQBGVBVDSLBRQ-OLZOCXBDSA-N 1 0 314.223 3.058 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000170729202 659231699 /nfs/dbraw/zinc/23/16/99/659231699.db2.gz ADXALNQFJLXNGU-MRXNPFEDSA-N 1 0 318.461 3.065 20 10 DGCDRO CCc1cc(C[N@@H+]2CCO[C@@H](COC)C2)c(O)c(C(C)(C)C)c1 ZINC000172920035 659363786 /nfs/dbraw/zinc/36/37/86/659363786.db2.gz QYWFOQHGIUKCGR-MRXNPFEDSA-N 1 0 321.461 3.099 20 10 DGCDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173496096 659389106 /nfs/dbraw/zinc/38/91/06/659389106.db2.gz ANFHAZLQCXBICR-CQSZACIVSA-N 1 0 320.477 3.169 20 10 DGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000237537713 659904750 /nfs/dbraw/zinc/90/47/50/659904750.db2.gz WZMCUYNALXMHEC-JTDSTZFVSA-N 1 0 302.462 3.438 20 10 DGCDRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179573161 659933251 /nfs/dbraw/zinc/93/32/51/659933251.db2.gz UYEHFNBMZLHMNI-UHFFFAOYSA-N 1 0 320.433 3.224 20 10 DGCDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000179586813 659934413 /nfs/dbraw/zinc/93/44/13/659934413.db2.gz KVOIVNBHISWQAN-UHFFFAOYSA-N 1 0 313.397 3.348 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000179704356 659939092 /nfs/dbraw/zinc/93/90/92/659939092.db2.gz SAYMWFRRMTVFES-OAHLLOKOSA-N 1 0 320.433 3.190 20 10 DGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1O ZINC000179888566 659945924 /nfs/dbraw/zinc/94/59/24/659945924.db2.gz RQANLNJIFPYQMX-UHFFFAOYSA-N 1 0 303.333 3.282 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H](c2ccccc2)O1 ZINC000179986925 659948535 /nfs/dbraw/zinc/94/85/35/659948535.db2.gz RMIBXGCLUNAYML-SCLBCKFNSA-N 1 0 301.361 3.493 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000179970891 659948582 /nfs/dbraw/zinc/94/85/82/659948582.db2.gz IKIMLHSSNKJXFR-UHFFFAOYSA-N 1 0 300.377 3.244 20 10 DGCDRO CCOC(=O)C1([N@H+](C)Cc2cc(OC)ccc2O)CCCCC1 ZINC000180487322 659963219 /nfs/dbraw/zinc/96/32/19/659963219.db2.gz QMINGAIHTOWYNH-UHFFFAOYSA-N 1 0 321.417 3.099 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000182367042 660048084 /nfs/dbraw/zinc/04/80/84/660048084.db2.gz KBLSPPFRQJDWRQ-JTQLQIEISA-N 1 0 320.320 3.299 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccccc2OC)c1 ZINC000182433537 660054010 /nfs/dbraw/zinc/05/40/10/660054010.db2.gz JRJULQKTNXVOCI-ZDUSSCGKSA-N 1 0 317.385 3.139 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccccc1O ZINC000183435499 660112088 /nfs/dbraw/zinc/11/20/88/660112088.db2.gz MIABNFOESBAMJB-HNNXBMFYSA-N 1 0 307.397 3.488 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000183511358 660121126 /nfs/dbraw/zinc/12/11/26/660121126.db2.gz ZTTMKZAPVBBZKB-CHWSQXEVSA-N 1 0 306.406 3.052 20 10 DGCDRO C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccccc1O ZINC000183625191 660126481 /nfs/dbraw/zinc/12/64/81/660126481.db2.gz PXMZBRHKBCHNCK-CYBMUJFWSA-N 1 0 309.369 3.336 20 10 DGCDRO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000184526079 660171345 /nfs/dbraw/zinc/17/13/45/660171345.db2.gz QAZSEJGLQPDYDZ-INIZCTEOSA-N 1 0 302.462 3.490 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)CCC1(O)CCC1 ZINC000930349966 661391618 /nfs/dbraw/zinc/39/16/18/661391618.db2.gz CRTKZTQZVQKLMP-QGZVFWFLSA-N 1 0 321.461 3.050 20 10 DGCDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931064974 661449014 /nfs/dbraw/zinc/44/90/14/661449014.db2.gz CUFNBVIDQMZFRR-QNBRMCRTSA-N 1 0 300.446 3.286 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc[nH]n1)c1cc(Br)ccc1O ZINC000041014217 661833115 /nfs/dbraw/zinc/83/31/15/661833115.db2.gz XSMTVYCILCFKGP-LBPRGKRZSA-N 1 0 310.195 3.119 20 10 DGCDRO Cc1cc(C[N@@H+](C)Cc2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000042093803 661837705 /nfs/dbraw/zinc/83/77/05/661837705.db2.gz DYRSKQSDGJGCQH-UHFFFAOYSA-N 1 0 301.434 3.364 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000155973620 661856188 /nfs/dbraw/zinc/85/61/88/661856188.db2.gz REWPFVIWPIWTIE-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCOC1 ZINC000157427460 661867586 /nfs/dbraw/zinc/86/75/86/661867586.db2.gz MGAGRHLGFWFEDR-KXBFYZLASA-N 1 0 318.461 3.069 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(N2CCOCC2)cc1 ZINC000187868948 661905999 /nfs/dbraw/zinc/90/59/99/661905999.db2.gz CPGIAKYEWBANMJ-CRAIPNDOSA-N 1 0 318.461 3.131 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1O ZINC000188808387 661945852 /nfs/dbraw/zinc/94/58/52/661945852.db2.gz TWQYYHHGWRYAMF-HIFRSBDPSA-N 1 0 317.351 3.274 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1F ZINC000075829150 661950775 /nfs/dbraw/zinc/95/07/75/661950775.db2.gz SWNGDNBYOJXVDO-SFHVURJKSA-N 1 0 303.377 3.477 20 10 DGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000190038349 662003228 /nfs/dbraw/zinc/00/32/28/662003228.db2.gz HJBWEDGEACTLQP-ZIAGYGMSSA-N 1 0 321.465 3.316 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC000191713161 662078893 /nfs/dbraw/zinc/07/88/93/662078893.db2.gz CDHRLTUVOSIRGO-JXFKEZNVSA-N 1 0 313.441 3.420 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000192156427 662089391 /nfs/dbraw/zinc/08/93/91/662089391.db2.gz PYZLWHJKTLLOPT-LLVKDONJSA-N 1 0 300.333 3.262 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000192680197 662107991 /nfs/dbraw/zinc/10/79/91/662107991.db2.gz HDAINPULHMFXTC-STQMWFEESA-N 1 0 308.422 3.264 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)c1 ZINC000192743374 662110319 /nfs/dbraw/zinc/11/03/19/662110319.db2.gz IVFQKCNUUWSKLM-AWEZNQCLSA-N 1 0 313.397 3.365 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCOC2CCOCC2)cc1 ZINC000090083872 662252938 /nfs/dbraw/zinc/25/29/38/662252938.db2.gz ICVMBHWEWFHFIR-MRXNPFEDSA-N 1 0 320.477 3.379 20 10 DGCDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092400963 662330568 /nfs/dbraw/zinc/33/05/68/662330568.db2.gz POQYSDVGYWMLRT-HZPDHXFCSA-N 1 0 318.461 3.217 20 10 DGCDRO CCC(CC)[N@H+](CCOC)Cc1ccc(N2CCOCC2)cc1 ZINC000092565882 662332592 /nfs/dbraw/zinc/33/25/92/662332592.db2.gz YXNVWOHIAQEOSH-UHFFFAOYSA-N 1 0 320.477 3.160 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092643680 662333659 /nfs/dbraw/zinc/33/36/59/662333659.db2.gz KHIWMKZHRHLWFY-KRWDZBQOSA-N 1 0 316.445 3.062 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000248531341 662351802 /nfs/dbraw/zinc/35/18/02/662351802.db2.gz XWFKHFQTLDZSAN-JJRVBVJISA-N 1 0 303.446 3.473 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000093387377 662354344 /nfs/dbraw/zinc/35/43/44/662354344.db2.gz HEQVVBZVNIEUPX-FQEVSTJZSA-N 1 0 310.441 3.234 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(OC(C)=O)CC2)cc1 ZINC000093454143 662355162 /nfs/dbraw/zinc/35/51/62/662355162.db2.gz AZMUVVMXRFWELO-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000093638360 662357438 /nfs/dbraw/zinc/35/74/38/662357438.db2.gz SFHKFGHQSDLPBZ-FQEVSTJZSA-N 1 0 309.409 3.375 20 10 DGCDRO Cc1nc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)sc1C ZINC000093689014 662359242 /nfs/dbraw/zinc/35/92/42/662359242.db2.gz ZQUPBGDCDRPKBB-UHFFFAOYSA-N 1 0 317.458 3.096 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@@H](C[N@H+](C)CC)C2)cc1F ZINC000093770229 662360036 /nfs/dbraw/zinc/36/00/36/662360036.db2.gz QRJBIIWFDQHJRT-KRWDZBQOSA-N 1 0 321.484 3.446 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccc(=O)[nH]2)cc1F ZINC000897392320 685311466 /nfs/dbraw/zinc/31/14/66/685311466.db2.gz WWQSZKWEYGLFAW-UHFFFAOYSA-N 1 0 317.408 3.405 20 10 DGCDRO CCC[C@@H](C[NH2+]Cc1cc(Br)ccc1O)OC ZINC000378689370 685144692 /nfs/dbraw/zinc/14/46/92/685144692.db2.gz HKJAKAVHTWLKDS-LBPRGKRZSA-N 1 0 302.212 3.059 20 10 DGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cccc(Br)c1[O-])OC ZINC000381108992 685154822 /nfs/dbraw/zinc/15/48/22/685154822.db2.gz BUAICGQWJJMSQK-MFKMUULPSA-N 1 0 316.239 3.305 20 10 DGCDRO COC1(C[NH2+]Cc2cc(Br)ccc2O)CCCC1 ZINC000386436045 685178725 /nfs/dbraw/zinc/17/87/25/685178725.db2.gz BRTXJRFHGQXHEX-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1CCCOC1 ZINC000389098035 685192758 /nfs/dbraw/zinc/19/27/58/685192758.db2.gz RCHFZDYDJLMFBQ-WDEREUQCSA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000389789018 685196703 /nfs/dbraw/zinc/19/67/03/685196703.db2.gz OARNDDJVHUEVRT-APWZRJJASA-N 1 0 310.441 3.311 20 10 DGCDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000389854500 685197189 /nfs/dbraw/zinc/19/71/89/685197189.db2.gz YNSWJNCBMVAJPH-AYOQOUSVSA-N 1 0 322.452 3.490 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000390701664 685204225 /nfs/dbraw/zinc/20/42/25/685204225.db2.gz DBLACNSQFDEZKF-HNNXBMFYSA-N 1 0 316.832 3.410 20 10 DGCDRO Cc1csc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000393292401 685215860 /nfs/dbraw/zinc/21/58/60/685215860.db2.gz AIAJDFDEQYSYLP-UHFFFAOYSA-N 1 0 302.443 3.183 20 10 DGCDRO C[C@@H]1[C@@H](NC(=O)Nc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000393845028 685219332 /nfs/dbraw/zinc/21/93/32/685219332.db2.gz CLTXCVYNUUYLAO-KDOFPFPSSA-N 1 0 324.428 3.053 20 10 DGCDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC001576556140 1191843974 /nfs/dbraw/zinc/84/39/74/1191843974.db2.gz NZHUESLFRHZUJD-IPELMVKDSA-N 1 0 301.478 3.334 20 10 DGCDRO C[C@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC[NH2+]1 ZINC001576809470 1191869902 /nfs/dbraw/zinc/86/99/02/1191869902.db2.gz ZDGJDGPHAVYVEH-KRWDZBQOSA-N 1 0 321.468 3.043 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCCC2(C)C)cc1 ZINC001578424492 1191942810 /nfs/dbraw/zinc/94/28/10/1191942810.db2.gz JBPCAGVEXIRNSV-IRXDYDNUSA-N 1 0 317.477 3.085 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2c(C)n[nH]c2C)cc1F ZINC001620785499 1191957305 /nfs/dbraw/zinc/95/73/05/1191957305.db2.gz BUACXVTZGSFEEO-UHFFFAOYSA-N 1 0 304.413 3.302 20 10 DGCDRO COc1cccc(N(CC(C)C)C(=O)/C=C\[C@H]2CCC[NH2+]C2)c1 ZINC001579280249 1191971985 /nfs/dbraw/zinc/97/19/85/1191971985.db2.gz GCKOFQFZACRRSJ-ZBTGYSDGSA-N 1 0 316.445 3.240 20 10 DGCDRO CS[C@@H]1CCC[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC001579370395 1191974521 /nfs/dbraw/zinc/97/45/21/1191974521.db2.gz QWCLZAFMKXYESQ-UAGQMJEPSA-N 1 0 307.507 3.016 20 10 DGCDRO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC001579370472 1191974735 /nfs/dbraw/zinc/97/47/35/1191974735.db2.gz QWCLZAFMKXYESQ-USXIJHARSA-N 1 0 307.507 3.016 20 10 DGCDRO Cc1c(F)cc(Cl)c2c1CCCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC001579537370 1191978833 /nfs/dbraw/zinc/97/88/33/1191978833.db2.gz PEFVSPDKCAIPNH-NSHDSACASA-N 1 0 308.784 3.114 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)cc1C ZINC001620790338 1191995859 /nfs/dbraw/zinc/99/58/59/1191995859.db2.gz BNQUCOCVJXWMES-UGSOOPFHSA-N 1 0 303.377 3.354 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+]CCCCCC1CC[NH2+]CC1 ZINC001580888664 1192043792 /nfs/dbraw/zinc/04/37/92/1192043792.db2.gz UXIQOEUUWRRHLA-UHFFFAOYSA-N 1 0 312.404 3.320 20 10 DGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001620805223 1192085745 /nfs/dbraw/zinc/08/57/45/1192085745.db2.gz NDPQQEVATVUWCF-GJZGRUSLSA-N 1 0 301.434 3.464 20 10 DGCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001620854456 1192460646 /nfs/dbraw/zinc/46/06/46/1192460646.db2.gz HYYWWPPMIMEHMG-FQEVSTJZSA-N 1 0 310.441 3.418 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cnn3ccccc23)cc1 ZINC001620932524 1192628313 /nfs/dbraw/zinc/62/83/13/1192628313.db2.gz MYMISCWIQRJVRJ-AATRIKPKSA-N 1 0 306.413 3.203 20 10 DGCDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001620966418 1192689453 /nfs/dbraw/zinc/68/94/53/1192689453.db2.gz AYPXHMKCPNTGNQ-ZDUSSCGKSA-N 1 0 315.388 3.490 20 10 DGCDRO CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@H](O)C(F)(F)F ZINC001178369979 1177794128 /nfs/dbraw/zinc/79/41/28/1177794128.db2.gz SEHMJZDBWHIEHH-DOMZBBRYSA-N 1 0 314.351 3.278 20 10 DGCDRO COCCOCCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000387568050 1177898209 /nfs/dbraw/zinc/89/82/09/1177898209.db2.gz IZMNAKUUUFKBRN-CABCVRRESA-N 1 0 307.434 3.282 20 10 DGCDRO COc1ccc(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)cn1 ZINC001331531893 1178236771 /nfs/dbraw/zinc/23/67/71/1178236771.db2.gz JAWSWKZZWDVEIV-DZGCQCFKSA-N 1 0 312.413 3.485 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC001331538413 1178239272 /nfs/dbraw/zinc/23/92/72/1178239272.db2.gz YTXGUHVDZYWGLM-SFHVURJKSA-N 1 0 300.446 3.336 20 10 DGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001331985269 1178327955 /nfs/dbraw/zinc/32/79/55/1178327955.db2.gz VMAXFNRSTOCVMV-YIYPIFLZSA-N 1 0 303.402 3.180 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CC[C@@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC001333306564 1178585488 /nfs/dbraw/zinc/58/54/88/1178585488.db2.gz DOVVWOGLXCLMIK-UONOGXRCSA-N 1 0 307.434 3.355 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1c(O)cccc1Br)C(C)(C)C ZINC001334888631 1178823508 /nfs/dbraw/zinc/82/35/08/1178823508.db2.gz CMPWMVOUKXTGLP-ZDUSSCGKSA-N 1 0 316.239 3.305 20 10 DGCDRO CC[C@H]([NH2+]CCc1ccc(OC)nc1)c1ccc(N(C)C)cc1 ZINC001334935032 1178832162 /nfs/dbraw/zinc/83/21/62/1178832162.db2.gz NPQRLWDMVQWHNX-SFHVURJKSA-N 1 0 313.445 3.440 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC001335287835 1178886296 /nfs/dbraw/zinc/88/62/96/1178886296.db2.gz BXRIYVYYEMEQRS-CQSZACIVSA-N 1 0 324.350 3.321 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H](C2CC2)O1 ZINC001344378774 1179423483 /nfs/dbraw/zinc/42/34/83/1179423483.db2.gz VNAFIBIGFBOXDB-HNAYVOBHSA-N 1 0 300.446 3.286 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2cc(C)ccn2)ccc1OC ZINC001621050847 1192964245 /nfs/dbraw/zinc/96/42/45/1192964245.db2.gz BSFYAVATCZYLGF-UHFFFAOYSA-N 1 0 300.402 3.225 20 10 DGCDRO COc1cc([C@@H](C)[NH2+]CCCSc2nccs2)ccn1 ZINC001349839613 1179962311 /nfs/dbraw/zinc/96/23/11/1179962311.db2.gz MDTJNLPERWWOAJ-LLVKDONJSA-N 1 0 309.460 3.380 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1O ZINC001350292783 1180046747 /nfs/dbraw/zinc/04/67/47/1180046747.db2.gz CVLROLHYOZFHHJ-GFCCVEGCSA-N 1 0 304.415 3.155 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CC2CCC(O)CC2)C2CC2)cc1 ZINC001350359044 1180059339 /nfs/dbraw/zinc/05/93/39/1180059339.db2.gz PLHNONSURCHUPX-UHFFFAOYSA-N 1 0 302.462 3.268 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1ccc(N)cc1 ZINC001352788085 1180399397 /nfs/dbraw/zinc/39/93/97/1180399397.db2.gz BHOXWPDZDDEWBS-ROUUACIJSA-N 1 0 310.397 3.148 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC001200526925 1180700142 /nfs/dbraw/zinc/70/01/42/1180700142.db2.gz YQKSOIFCBTVKBE-HXUWFJFHSA-N 1 0 308.425 3.484 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cc1F ZINC001200703200 1180838174 /nfs/dbraw/zinc/83/81/74/1180838174.db2.gz LRTNSWBLRFEKJE-CYBMUJFWSA-N 1 0 304.413 3.256 20 10 DGCDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC001459872895 1182625339 /nfs/dbraw/zinc/62/53/39/1182625339.db2.gz IJZZIMXNXGNTCS-NWDGAFQWSA-N 1 0 324.852 3.163 20 10 DGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC001460103632 1182651142 /nfs/dbraw/zinc/65/11/42/1182651142.db2.gz FRIPWGHJKNUEMS-MSOLQXFVSA-N 1 0 302.462 3.450 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c1O ZINC001460651905 1182703468 /nfs/dbraw/zinc/70/34/68/1182703468.db2.gz CQJGQHNLLFMHCB-MRXNPFEDSA-N 1 0 324.852 3.020 20 10 DGCDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001460715127 1182713015 /nfs/dbraw/zinc/71/30/15/1182713015.db2.gz BVWMPUSUMOQVBF-INIZCTEOSA-N 1 0 318.461 3.226 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCCC[C@@H]1C ZINC001461048770 1182761147 /nfs/dbraw/zinc/76/11/47/1182761147.db2.gz RTSOMCNFTJTJCJ-JKSUJKDBSA-N 1 0 302.462 3.364 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001461253285 1182787230 /nfs/dbraw/zinc/78/72/30/1182787230.db2.gz DIZOUOZLCZHZBT-LJQANCHMSA-N 1 0 310.441 3.153 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c(O)c1 ZINC001461872673 1182867621 /nfs/dbraw/zinc/86/76/21/1182867621.db2.gz WZKOJGLLRPIWKQ-HXUWFJFHSA-N 1 0 309.409 3.375 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC001462093211 1182906720 /nfs/dbraw/zinc/90/67/20/1182906720.db2.gz SIYHHUJWKCMBJG-OAHLLOKOSA-N 1 0 305.418 3.261 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c(O)c1 ZINC001462265860 1182931037 /nfs/dbraw/zinc/93/10/37/1182931037.db2.gz GONHSYTZVSQFMO-ZDUSSCGKSA-N 1 0 304.217 3.383 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC001462303982 1182936333 /nfs/dbraw/zinc/93/63/33/1182936333.db2.gz CUCPBMZYDRRAFO-DLBZAZTESA-N 1 0 305.418 3.099 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)c1 ZINC001462303983 1182936769 /nfs/dbraw/zinc/93/67/69/1182936769.db2.gz CUCPBMZYDRRAFO-IAGOWNOFSA-N 1 0 305.418 3.099 20 10 DGCDRO COC[C@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C ZINC001473262355 1183737827 /nfs/dbraw/zinc/73/78/27/1183737827.db2.gz WSWTUWVQTAUJFO-ROUUACIJSA-N 1 0 321.461 3.292 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2Cc3ccccc3O2)c(Cl)c1 ZINC001473983929 1183844125 /nfs/dbraw/zinc/84/41/25/1183844125.db2.gz KHFHRDYHVWSRPL-CYBMUJFWSA-N 1 0 303.789 3.447 20 10 DGCDRO c1cc2c(cc1CN[C@H]1CC[N@H+](CC3CCCC3)C1)CCCO2 ZINC001474030764 1183853953 /nfs/dbraw/zinc/85/39/53/1183853953.db2.gz NKCJZPKZTNNVSA-IBGZPJMESA-N 1 0 314.473 3.366 20 10 DGCDRO Cc1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1C ZINC001474204391 1183881693 /nfs/dbraw/zinc/88/16/93/1183881693.db2.gz HPEMTTWFUNROTQ-UHFFFAOYSA-N 1 0 324.468 3.472 20 10 DGCDRO CCC[N@H+](C)CC(C)(C)NCc1cc(F)c(N(C)C)cc1F ZINC001474219056 1183884295 /nfs/dbraw/zinc/88/42/95/1183884295.db2.gz VJEQMOQTKQZZMZ-UHFFFAOYSA-N 1 0 313.436 3.241 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](O)C(F)(F)F ZINC001474232073 1183886143 /nfs/dbraw/zinc/88/61/43/1183886143.db2.gz QSJWJXCGHLMEIQ-GJZGRUSLSA-N 1 0 317.351 3.049 20 10 DGCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001474362552 1183909640 /nfs/dbraw/zinc/90/96/40/1183909640.db2.gz STATYSADUCZLQA-GFCCVEGCSA-N 1 0 307.781 3.117 20 10 DGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)cc(F)c1[O-])CC2 ZINC001474453749 1183924608 /nfs/dbraw/zinc/92/46/08/1183924608.db2.gz YJWWFEIYKPAJKO-UHFFFAOYSA-N 1 0 319.351 3.280 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1O ZINC001474501082 1183931578 /nfs/dbraw/zinc/93/15/78/1183931578.db2.gz UMKLYNYFPKDMSG-UHFFFAOYSA-N 1 0 322.748 3.252 20 10 DGCDRO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1Cc1cccc(CC)c1O ZINC001474540503 1183937107 /nfs/dbraw/zinc/93/71/07/1183937107.db2.gz FYJWXZIXKDUFBY-PREGVCBESA-N 1 0 317.429 3.261 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1O ZINC001474542914 1183937967 /nfs/dbraw/zinc/93/79/67/1183937967.db2.gz UZXBXYWTAJKNOM-NSHDSACASA-N 1 0 311.731 3.493 20 10 DGCDRO CCCSC[C@@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001474741854 1183971418 /nfs/dbraw/zinc/97/14/18/1183971418.db2.gz LYLYVNBPKSEHIN-CRAIPNDOSA-N 1 0 323.550 3.477 20 10 DGCDRO C[C@H](CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)[NH+]1CCCCC1 ZINC001609779452 1193355963 /nfs/dbraw/zinc/35/59/63/1193355963.db2.gz PSQCXRKDCRFTIZ-KGLIPLIRSA-N 1 0 320.433 3.006 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC2(C)C)cc1C ZINC001497883612 1185405036 /nfs/dbraw/zinc/40/50/36/1185405036.db2.gz KQMLLULFZBJKNJ-ZBFHGGJFSA-N 1 0 318.461 3.034 20 10 DGCDRO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1O ZINC001611624380 1193438707 /nfs/dbraw/zinc/43/87/07/1193438707.db2.gz GQBAWBGSQKPUPY-LJHODMEESA-N 1 0 324.424 3.262 20 10 DGCDRO CC[C@H](C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001616858751 1193549495 /nfs/dbraw/zinc/54/94/95/1193549495.db2.gz SLEUARWQWJGAPT-MAUKXSAKSA-N 1 0 319.493 3.298 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001560282929 1189305261 /nfs/dbraw/zinc/30/52/61/1189305261.db2.gz NHKFDURNYPOZFL-ARJAWSKDSA-N 1 0 311.385 3.464 20 10 DGCDRO CCC(CC)(C[NH2+]Cc1cc(F)c(N(C)C)cc1F)OC ZINC001560489376 1189333331 /nfs/dbraw/zinc/33/33/31/1189333331.db2.gz MBWXTZQGAIKEFG-UHFFFAOYSA-N 1 0 300.393 3.326 20 10 DGCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Cl)COc2ccccc2O1 ZINC001560543838 1189338782 /nfs/dbraw/zinc/33/87/82/1189338782.db2.gz IPUOGIKTZUMPDH-KRWDZBQOSA-N 1 0 319.788 3.365 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001560645999 1189354664 /nfs/dbraw/zinc/35/46/64/1189354664.db2.gz LXZAOPUHPJYVPY-MRXNPFEDSA-N 1 0 308.853 3.496 20 10 DGCDRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001560781676 1189379759 /nfs/dbraw/zinc/37/97/59/1189379759.db2.gz DVOBSJNZRBPOOZ-MRXNPFEDSA-N 1 0 305.805 3.129 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c(O)c1 ZINC001560836668 1189391618 /nfs/dbraw/zinc/39/16/18/1189391618.db2.gz VDZMBVUVQDKBCL-CABCVRRESA-N 1 0 324.424 3.157 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c(O)c1 ZINC001560836671 1189391719 /nfs/dbraw/zinc/39/17/19/1189391719.db2.gz VDZMBVUVQDKBCL-LSDHHAIUSA-N 1 0 324.424 3.157 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC001560845481 1189393888 /nfs/dbraw/zinc/39/38/88/1189393888.db2.gz VKAHZSQSJKOYIA-MJGOQNOKSA-N 1 0 303.446 3.402 20 10 DGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001560880220 1189399817 /nfs/dbraw/zinc/39/98/17/1189399817.db2.gz CGLOKMOQCPEKRL-CQSZACIVSA-N 1 0 312.404 3.422 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@]3(C)CCCCO3)C2)cc1 ZINC001560899030 1189401916 /nfs/dbraw/zinc/40/19/16/1189401916.db2.gz WMVJZLFBQZSXLX-QFBILLFUSA-N 1 0 318.461 3.070 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC001560899234 1189401920 /nfs/dbraw/zinc/40/19/20/1189401920.db2.gz MSOLQMJZBWEZHO-KRWDZBQOSA-N 1 0 307.459 3.224 20 10 DGCDRO CC[C@@H](CNC(=O)[C@H]1CC1(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567956974 1190375686 /nfs/dbraw/zinc/37/56/86/1190375686.db2.gz ZLPZJJCZEYDBIE-JKSUJKDBSA-N 1 0 318.461 3.034 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC001620754935 1191434204 /nfs/dbraw/zinc/43/42/04/1191434204.db2.gz IHUMYYBVLVALJI-LJQANCHMSA-N 1 0 312.388 3.449 20 10 DGCDRO CC(C)(C)c1cnc(SC[C@H]2C[C@@]3(CC[NH2+]C3)CO2)s1 ZINC001575277294 1191472216 /nfs/dbraw/zinc/47/22/16/1191472216.db2.gz NEWLTNKUKYJGFB-IAQYHMDHSA-N 1 0 312.504 3.301 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CC[C@H](C)[C@@H]2C)c2cc(F)ccc2n1C ZINC001621136601 1193807548 /nfs/dbraw/zinc/80/75/48/1193807548.db2.gz VXYDQCVYGQTPKA-RYUDHWBXSA-N 1 0 318.392 3.334 20 10 DGCDRO C[NH+](C)CCCC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001621148900 1193808756 /nfs/dbraw/zinc/80/87/56/1193808756.db2.gz XCDDAOVVLGINMP-UHFFFAOYSA-N 1 0 312.404 3.224 20 10 DGCDRO COc1cc(C)cc(C[N@H+](CCN(C)C)C2CCCC2)c1O ZINC001621264910 1193824369 /nfs/dbraw/zinc/82/43/69/1193824369.db2.gz XCKCJXNJEOJDGI-UHFFFAOYSA-N 1 0 306.450 3.015 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(O)c(F)c2)cc1 ZINC001621424228 1193841382 /nfs/dbraw/zinc/84/13/82/1193841382.db2.gz RJDGPOUDZDEUQS-UHFFFAOYSA-N 1 0 318.392 3.108 20 10 DGCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001644345435 1195101693 /nfs/dbraw/zinc/10/16/93/1195101693.db2.gz BEKJIOXJVWMOSY-MRXNPFEDSA-N 1 0 318.461 3.226 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)cc1 ZINC001646360759 1195224938 /nfs/dbraw/zinc/22/49/38/1195224938.db2.gz CQXHYKAXJBPOHH-NRFANRHFSA-N 1 0 324.468 3.409 20 10 DGCDRO C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001647040763 1195242398 /nfs/dbraw/zinc/24/23/98/1195242398.db2.gz WVMARBMLLVYZSB-STQMWFEESA-N 1 0 300.805 3.147 20 10 DGCDRO O[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001651383023 1195453757 /nfs/dbraw/zinc/45/37/57/1195453757.db2.gz MUJUNSODZAWNFQ-FPOVZHCZSA-N 1 0 322.452 3.252 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)cc1C ZINC001651532019 1195476315 /nfs/dbraw/zinc/47/63/15/1195476315.db2.gz VBHUBSSWYPUBTJ-CQSZACIVSA-N 1 0 316.367 3.120 20 10 DGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(Cl)cc2O)cc1 ZINC001651834710 1195515027 /nfs/dbraw/zinc/51/50/27/1195515027.db2.gz USQKUHDHOBQHTN-UHFFFAOYSA-N 1 0 319.788 3.464 20 10 DGCDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001652220493 1195563892 /nfs/dbraw/zinc/56/38/92/1195563892.db2.gz CBOUIUCJUHEKFY-XHBSWPGZSA-N 1 0 312.404 3.012 20 10 DGCDRO OCC[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1F ZINC001652719254 1195640348 /nfs/dbraw/zinc/64/03/48/1195640348.db2.gz NKWGYMYJSLNKJH-OAHLLOKOSA-N 1 0 309.768 3.398 20 10 DGCDRO COc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001655348659 1195906447 /nfs/dbraw/zinc/90/64/47/1195906447.db2.gz NLRCBOSXUIQVGX-UHFFFAOYSA-N 1 0 311.429 3.059 20 10 DGCDRO OCCC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCCC1 ZINC001655751404 1195960032 /nfs/dbraw/zinc/96/00/32/1195960032.db2.gz YGAQULXUUMFELH-UHFFFAOYSA-N 1 0 303.446 3.434 20 10 DGCDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC001656292014 1196027878 /nfs/dbraw/zinc/02/78/78/1196027878.db2.gz OJYVDWSVEKZYHS-CRAIPNDOSA-N 1 0 310.457 3.270 20 10 DGCDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC001656292017 1196028011 /nfs/dbraw/zinc/02/80/11/1196028011.db2.gz OJYVDWSVEKZYHS-YJBOKZPZSA-N 1 0 310.457 3.270 20 10 DGCDRO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001656947458 1196085979 /nfs/dbraw/zinc/08/59/79/1196085979.db2.gz ZACRXWKCLPWONT-ROUUACIJSA-N 1 0 315.505 3.497 20 10 DGCDRO Cc1cncc(C[NH2+]Cc2c(O)cccc2Br)c1 ZINC001657066821 1196099764 /nfs/dbraw/zinc/09/97/64/1196099764.db2.gz SDRREVZUSWVHJF-UHFFFAOYSA-N 1 0 307.191 3.148 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOC23CCCCC3)cc1F ZINC001657074903 1196101127 /nfs/dbraw/zinc/10/11/27/1196101127.db2.gz CWWXIDLCYJYJGE-KRWDZBQOSA-N 1 0 306.425 3.473 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000072670555 1196105800 /nfs/dbraw/zinc/10/58/00/1196105800.db2.gz VLIUMFJHYZFBJP-LJQANCHMSA-N 1 0 309.457 3.117 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]CCc2ccnn2C)cc1 ZINC001657137765 1196109691 /nfs/dbraw/zinc/10/96/91/1196109691.db2.gz WRSONXFWQYUZDP-UHFFFAOYSA-N 1 0 314.477 3.379 20 10 DGCDRO CCC[N@H+](CC)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001657173314 1196114484 /nfs/dbraw/zinc/11/44/84/1196114484.db2.gz OQIFAIJLMURIKT-UHFFFAOYSA-N 1 0 306.381 3.336 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)c(O)c1 ZINC001657354271 1196133066 /nfs/dbraw/zinc/13/30/66/1196133066.db2.gz OJUXDRXZEAKCTN-SFHVURJKSA-N 1 0 324.424 3.095 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1O ZINC001657677146 1196168626 /nfs/dbraw/zinc/16/86/26/1196168626.db2.gz BLCFHBKWYCPZHB-HZPDHXFCSA-N 1 0 307.434 3.391 20 10 DGCDRO COC(=O)C1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCCCC1 ZINC001657745163 1196174901 /nfs/dbraw/zinc/17/49/01/1196174901.db2.gz RLQFSBUEAPPYIC-UHFFFAOYSA-N 1 0 318.461 3.274 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCN(C(=O)OCC)C2)cc1C ZINC001657819089 1196180747 /nfs/dbraw/zinc/18/07/47/1196180747.db2.gz IKMCBHQVWVRBFU-INIZCTEOSA-N 1 0 320.433 3.104 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2cc(F)ccc2OC)c(O)c1 ZINC001657865317 1196188500 /nfs/dbraw/zinc/18/85/00/1196188500.db2.gz DLOHREOWPRHTLQ-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)Cc2ccccc2F)c(Cl)c1 ZINC001658003232 1196200292 /nfs/dbraw/zinc/20/02/92/1196200292.db2.gz MGKKKHNVUOTJAR-ZDUSSCGKSA-N 1 0 323.795 3.186 20 10 DGCDRO CCOC(OCC)[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001658197231 1196223988 /nfs/dbraw/zinc/22/39/88/1196223988.db2.gz CJUKNZCXSIAWGK-HNNXBMFYSA-N 1 0 306.450 3.164 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC001658198542 1196224193 /nfs/dbraw/zinc/22/41/93/1196224193.db2.gz ZXZJJFGSVZOGSG-QGZVFWFLSA-N 1 0 321.804 3.186 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCSC3)C2)c(O)c1 ZINC001658335052 1196242461 /nfs/dbraw/zinc/24/24/61/1196242461.db2.gz GWOHVYUZIOIHRX-KRWDZBQOSA-N 1 0 307.459 3.428 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3cccnc3c2)c(O)c1OC ZINC001658710937 1196291195 /nfs/dbraw/zinc/29/11/95/1196291195.db2.gz DJDWKRDOPHVKLQ-UHFFFAOYSA-N 1 0 324.380 3.247 20 10 DGCDRO CCCNC(=O)C1([NH2+]Cc2ccc(Cl)cc2O)CCCCC1 ZINC001658774790 1196298289 /nfs/dbraw/zinc/29/82/89/1196298289.db2.gz JNYHRRNJIAJARI-UHFFFAOYSA-N 1 0 324.852 3.364 20 10 DGCDRO Oc1cc(F)c(CC[NH2+]Cc2ccc(Cl)cc2O)c(F)c1 ZINC001658964167 1196326018 /nfs/dbraw/zinc/32/60/18/1196326018.db2.gz QWHHRSSGNCXPEH-UHFFFAOYSA-N 1 0 313.731 3.362 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCC(F)(F)C2)cc1 ZINC001659280755 1196367209 /nfs/dbraw/zinc/36/72/09/1196367209.db2.gz IIDNLAAPLUYTTP-CQSZACIVSA-N 1 0 312.404 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)C[C@H]2Cc2ccccc2)cc1 ZINC001659281334 1196367231 /nfs/dbraw/zinc/36/72/31/1196367231.db2.gz UWZKTCHHMAEKNN-OAQYLSRUSA-N 1 0 323.484 3.111 20 10 DGCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001659482312 1196387759 /nfs/dbraw/zinc/38/77/59/1196387759.db2.gz XYTQKWUOVPTMJQ-OPYNEWBTSA-N 1 0 302.462 3.247 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC001659487315 1196387938 /nfs/dbraw/zinc/38/79/38/1196387938.db2.gz AOIFEJCWIOQQJK-QGZVFWFLSA-N 1 0 319.445 3.333 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CC2(OC)CCCCC2)cc1 ZINC001659590965 1196398101 /nfs/dbraw/zinc/39/81/01/1196398101.db2.gz PFNHGWNTHDULOE-UHFFFAOYSA-N 1 0 320.477 3.413 20 10 DGCDRO O=C1[C@H]([NH2+]Cc2ccc(Cl)cc2O)CCN1C1CCCCC1 ZINC001659730867 1196408802 /nfs/dbraw/zinc/40/88/02/1196408802.db2.gz XKHZWDIGUKFUNS-OAHLLOKOSA-N 1 0 322.836 3.069 20 10 DGCDRO Cn1cc(-c2ccc(C[N@@H+]3Cc4cccc(O)c4C3)s2)cn1 ZINC001659884116 1196425401 /nfs/dbraw/zinc/42/54/01/1196425401.db2.gz HBLCYDKVXYJFLR-UHFFFAOYSA-N 1 0 311.410 3.370 20 10 DGCDRO C[C@@H]1Cc2cc(C[NH2+]Cc3cc(F)c(F)cc3[O-])ccc2O1 ZINC001659976825 1196433730 /nfs/dbraw/zinc/43/37/30/1196433730.db2.gz FXAHQOMEWLDDLO-SNVBAGLBSA-N 1 0 305.324 3.284 20 10 DGCDRO O=c1[nH]c2cc(C[NH2+]Cc3ccc(Cl)cc3O)ccc2o1 ZINC001659972300 1196433793 /nfs/dbraw/zinc/43/37/93/1196433793.db2.gz KNMAPXOUVKKBQT-UHFFFAOYSA-N 1 0 304.733 3.182 20 10 DGCDRO COCC1(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC001660053680 1196441231 /nfs/dbraw/zinc/44/12/31/1196441231.db2.gz PCGBEJDVVHZFKL-INIZCTEOSA-N 1 0 304.478 3.398 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3C[C@H]4CCCC[C@H]43)cc2)CC1 ZINC001660198833 1196456296 /nfs/dbraw/zinc/45/62/96/1196456296.db2.gz GOADLDBYUBQZPS-VQIMIIECSA-N 1 0 300.446 3.022 20 10 DGCDRO C[NH+](C)[C@H]1CCc2ccccc2N(Cc2cc(F)ccc2O)C1 ZINC001660249393 1196461996 /nfs/dbraw/zinc/46/19/96/1196461996.db2.gz SGXBQIRQXUGJFX-KRWDZBQOSA-N 1 0 314.404 3.414 20 10 DGCDRO CCOC(OCC)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001660275426 1196465504 /nfs/dbraw/zinc/46/55/04/1196465504.db2.gz KLWDHSGAHXUBJU-LLVKDONJSA-N 1 0 301.814 3.231 20 10 DGCDRO Cc1cc(CC[NH2+][C@H]2C[C@@H]3COC[C@@H]32)c(C)n1-c1ccccc1 ZINC001660413585 1196481474 /nfs/dbraw/zinc/48/14/74/1196481474.db2.gz YNISWORQMHMEDS-HOJAQTOUSA-N 1 0 310.441 3.261 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC(C)(C)O2)c1O ZINC001660840517 1196533171 /nfs/dbraw/zinc/53/31/71/1196533171.db2.gz FYFSWRMQLURXBI-CYBMUJFWSA-N 1 0 313.825 3.492 20 10 DGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)OC ZINC001662495345 1196725768 /nfs/dbraw/zinc/72/57/68/1196725768.db2.gz HGGUHYRGUYBEDK-ZBEGNZNMSA-N 1 0 300.393 3.182 20 10 DGCDRO CCCCN(C)C[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001662559943 1196730550 /nfs/dbraw/zinc/73/05/50/1196730550.db2.gz ROEVFFMOISEHPQ-XZVRFQMRSA-N 1 0 303.494 3.476 20 10 DGCDRO COc1cc(CN2CC[N@H+](C)CC2(C)C)c(O)c(C(C)(C)C)c1 ZINC001663648275 1196921217 /nfs/dbraw/zinc/92/12/17/1196921217.db2.gz ZAXUNKZHSNIAMG-UHFFFAOYSA-N 1 0 320.477 3.224 20 10 DGCDRO CC(C)C(=O)N1CCC[N@H+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001663850462 1196951386 /nfs/dbraw/zinc/95/13/86/1196951386.db2.gz CWIVHDANMINXBG-UHFFFAOYSA-N 1 0 318.461 3.206 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)CCC(C)(C)C)c1O ZINC001664465971 1197003042 /nfs/dbraw/zinc/00/30/42/1197003042.db2.gz WQXYHSOJCOEWOF-CYBMUJFWSA-N 1 0 315.841 3.331 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc3c(=O)cc[nH]c3c2)c1O ZINC001665194007 1197106839 /nfs/dbraw/zinc/10/68/39/1197106839.db2.gz AJTWIDSELFBBNY-UHFFFAOYSA-N 1 0 308.381 3.086 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(C(C)C)ccc1O)[C@@H]1CCCOC1 ZINC001665672694 1197169148 /nfs/dbraw/zinc/16/91/48/1197169148.db2.gz MEKYWMQGWJUEMS-WBVHZDCISA-N 1 0 307.434 3.047 20 10 DGCDRO COc1ccc(C[NH2+]C[C@]2(NC(C)=O)CCCC[C@@H]2C)cc1C ZINC001666043240 1197229907 /nfs/dbraw/zinc/22/99/07/1197229907.db2.gz KBNRVCAYORXKFN-HNAYVOBHSA-N 1 0 318.461 3.178 20 10 DGCDRO CCOCC[NH+](CCOCC)Cc1c(O)ccc2ccccc21 ZINC000321884994 1197686564 /nfs/dbraw/zinc/68/65/64/1197686564.db2.gz NNJBEUFMDNKSRL-UHFFFAOYSA-N 1 0 317.429 3.420 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000317436997 1199824513 /nfs/dbraw/zinc/82/45/13/1199824513.db2.gz RIDHKLVPAKXAMT-UPJWGTAASA-N 1 0 304.434 3.142 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](CO)Cc1ccccc1 ZINC000320934949 1199849692 /nfs/dbraw/zinc/84/96/92/1199849692.db2.gz RZZMOPOJTCGOSW-HYVNUMGLSA-N 1 0 311.425 3.442 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C(C)C)cc1C ZINC001755606523 1200984468 /nfs/dbraw/zinc/98/44/68/1200984468.db2.gz LGCDCHNQAJZFMU-HZPDHXFCSA-N 1 0 320.477 3.232 20 10 DGCDRO CCCCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700741620 1202346376 /nfs/dbraw/zinc/34/63/76/1202346376.db2.gz FBMKUCXIHAJULN-HNNXBMFYSA-N 1 0 306.450 3.130 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC2CCC2)cc1C ZINC001700743562 1202346977 /nfs/dbraw/zinc/34/69/77/1202346977.db2.gz IXENETOLYFXCBQ-HNNXBMFYSA-N 1 0 318.461 3.130 20 10 DGCDRO COCC[N@H+](Cc1cc(Br)cc(C)c1O)C(C)C ZINC000160971831 1202656013 /nfs/dbraw/zinc/65/60/13/1202656013.db2.gz BPAOBDRKYIFYMU-UHFFFAOYSA-N 1 0 316.239 3.320 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)C2CCC2)cc1C ZINC001714247028 1202846802 /nfs/dbraw/zinc/84/68/02/1202846802.db2.gz OIMHKJMVDZXCLP-HUUCEWRRSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2(C)CCC2)cc1C ZINC001716166462 1203445190 /nfs/dbraw/zinc/44/51/90/1203445190.db2.gz JXQUWUXOZFICKR-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCC(CC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001731438881 1204413217 /nfs/dbraw/zinc/41/32/17/1204413217.db2.gz HCZQRBYSJWBUPY-QAQDUYKDSA-N 1 0 318.461 3.177 20 10 DGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)CCC2(C)CC2)cc1C ZINC001731971265 1204638763 /nfs/dbraw/zinc/63/87/63/1204638763.db2.gz OOPUBWKHZQGCAX-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593208436 994225265 /nfs/dbraw/zinc/22/52/65/994225265.db2.gz CDVBBBWJTUKFFP-LLVKDONJSA-N 1 0 320.433 3.050 20 10 DGCDRO C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593208878 994231903 /nfs/dbraw/zinc/23/19/03/994231903.db2.gz KIJWOKUZQQQXBR-MLGOLLRUSA-N 1 0 322.449 3.107 20 10 DGCDRO CC[C@@H]1CC[N@H+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233141859 1098236957 /nfs/dbraw/zinc/23/69/57/1098236957.db2.gz LLQIHMNMKNQGBE-SNVBAGLBSA-N 1 0 314.223 3.395 20 10 DGCDRO COc1ccc(N2CCC[N@@H+](C[C@H](CC(C)C)OC)CC2)cc1 ZINC001167108308 1081705890 /nfs/dbraw/zinc/70/58/90/1081705890.db2.gz ORASONCRQYRTKT-IBGZPJMESA-N 1 0 320.477 3.268 20 10 DGCDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc(Br)cc2O)O1 ZINC000691439644 1081714431 /nfs/dbraw/zinc/71/44/31/1081714431.db2.gz IBEJVWKNBVUUFE-GFCCVEGCSA-N 1 0 314.223 3.202 20 10 DGCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2O)O1 ZINC000691464843 1081850159 /nfs/dbraw/zinc/85/01/59/1081850159.db2.gz GPMVQYGLVHUGOT-MFKMUULPSA-N 1 0 314.223 3.202 20 10 DGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1(C)C ZINC000691476965 1081867567 /nfs/dbraw/zinc/86/75/67/1081867567.db2.gz OYSOHHUTDYVLSX-OLZOCXBDSA-N 1 0 314.223 3.058 20 10 DGCDRO CCc1cccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1O ZINC000691513927 1081954502 /nfs/dbraw/zinc/95/45/02/1081954502.db2.gz QXTPKBNQYUCTBU-VOTSOKGWSA-N 1 0 320.433 3.125 20 10 DGCDRO CCC(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCCCC1 ZINC001115370300 1081960668 /nfs/dbraw/zinc/96/06/68/1081960668.db2.gz MRCMWJMCIVDSAY-UHFFFAOYSA-N 1 0 318.461 3.322 20 10 DGCDRO CO/C=C/c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1 ZINC001167378144 1082043959 /nfs/dbraw/zinc/04/39/59/1082043959.db2.gz DNDONTIHONNIDH-VAWYXSNFSA-N 1 0 324.424 3.038 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)/C=C\C(C)(C)C)cc1C ZINC001266927653 1082347568 /nfs/dbraw/zinc/34/75/68/1082347568.db2.gz LBORRIGHDDNLEH-FJVVXJACSA-N 1 0 318.461 3.200 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)ccc1N(C)C ZINC001170442892 1082455166 /nfs/dbraw/zinc/45/51/66/1082455166.db2.gz LCUDJMSVZWHMDE-IEBWSBKVSA-N 1 0 306.494 3.440 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2=CCCC2)cc1C ZINC001267126060 1082543136 /nfs/dbraw/zinc/54/31/36/1082543136.db2.gz GTXARINHCOKNIP-HNNXBMFYSA-N 1 0 316.445 3.098 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C2=CCCC2)cc1C ZINC001267126063 1082543152 /nfs/dbraw/zinc/54/31/52/1082543152.db2.gz GTXARINHCOKNIP-OAHLLOKOSA-N 1 0 316.445 3.098 20 10 DGCDRO CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001648920630 1082849554 /nfs/dbraw/zinc/84/95/54/1082849554.db2.gz FIJFAULAVNHQFH-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001648920629 1082849737 /nfs/dbraw/zinc/84/97/37/1082849737.db2.gz FIJFAULAVNHQFH-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO Oc1cccc(C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)c1O ZINC001170670231 1083072737 /nfs/dbraw/zinc/07/27/37/1083072737.db2.gz RDJBTICWNQLLEQ-ZDUSSCGKSA-N 1 0 305.324 3.023 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@]2(C)CCC[C@H]2C)cc1C ZINC001133444769 1083127072 /nfs/dbraw/zinc/12/70/72/1083127072.db2.gz ZKINSGPCLMXTMQ-BEFAXECRSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C=C(C)C)cc1C ZINC001133587187 1083157803 /nfs/dbraw/zinc/15/78/03/1083157803.db2.gz RWTUUHAOSVQFDA-HZPDHXFCSA-N 1 0 318.461 3.343 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)cc1 ZINC001170738768 1083261794 /nfs/dbraw/zinc/26/17/94/1083261794.db2.gz LDJXPJBXJLPNLG-VBUUOAMHSA-N 1 0 300.446 3.252 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001180897646 1083373905 /nfs/dbraw/zinc/37/39/05/1083373905.db2.gz XADHAYVUIQFYPD-INIZCTEOSA-N 1 0 305.805 3.047 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC(C)(C)c2ccccn2)c(O)c1 ZINC001181869480 1083565119 /nfs/dbraw/zinc/56/51/19/1083565119.db2.gz CMGXSENKEKNBBY-UHFFFAOYSA-N 1 0 300.402 3.172 20 10 DGCDRO CCCCC[N@H+](C)CCC(=O)NCc1c(C)cc(C)cc1O ZINC001181869554 1083565564 /nfs/dbraw/zinc/56/55/64/1083565564.db2.gz VQMRHOFTIHZFPG-UHFFFAOYSA-N 1 0 306.450 3.137 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1c2ccccc2CN1C ZINC001183393921 1083937403 /nfs/dbraw/zinc/93/74/03/1083937403.db2.gz BUNRWXQKEQLRNR-HXUWFJFHSA-N 1 0 309.457 3.337 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC001560441390 1126210852 /nfs/dbraw/zinc/21/08/52/1126210852.db2.gz ZMVWCZCECHBPSE-GOSISDBHSA-N 1 0 322.452 3.488 20 10 DGCDRO CCc1cccc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)c1O ZINC001560954339 1126214267 /nfs/dbraw/zinc/21/42/67/1126214267.db2.gz NFXASIJXCFAFIX-LJQANCHMSA-N 1 0 317.404 3.177 20 10 DGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711494685 1085471016 /nfs/dbraw/zinc/47/10/16/1085471016.db2.gz BXNVDYBJLCZLMU-SNVBAGLBSA-N 1 0 302.187 3.336 20 10 DGCDRO O[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001621100869 1126245902 /nfs/dbraw/zinc/24/59/02/1126245902.db2.gz WJHXUWXTBXZSOJ-NHCUHLMSSA-N 1 0 322.452 3.425 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]CCC[C@H]1CCOC1 ZINC000402337557 1087678488 /nfs/dbraw/zinc/67/84/88/1087678488.db2.gz VMTGOXHSEYJBNJ-NSHDSACASA-N 1 0 314.223 3.061 20 10 DGCDRO CCCCN1CCC2(CC[NH+](Cc3ccccc3O)CC2)C1=O ZINC001272618710 1088326095 /nfs/dbraw/zinc/32/60/95/1088326095.db2.gz NNSDTCIQAIJTQO-UHFFFAOYSA-N 1 0 316.445 3.007 20 10 DGCDRO O=C1c2ccccc2C(=O)c2cc(NC=C3CC[NH2+]CC3)ccc21 ZINC001159438536 1088351610 /nfs/dbraw/zinc/35/16/10/1088351610.db2.gz PNKTUIXHOBBIHT-UHFFFAOYSA-N 1 0 318.376 3.141 20 10 DGCDRO CCCCCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001154657324 1088696056 /nfs/dbraw/zinc/69/60/56/1088696056.db2.gz KJJPJSZFYQRJDF-UHFFFAOYSA-N 1 0 306.450 3.180 20 10 DGCDRO [NH3+]C1CCN(C(=O)c2ccccc2NN=C2C=CC(=O)C=C2)CC1 ZINC001160522346 1088852803 /nfs/dbraw/zinc/85/28/03/1088852803.db2.gz FURZIZITXORYNP-QZQOTICOSA-N 1 0 324.384 3.371 20 10 DGCDRO Cc1ccnnc1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155629732 1089193019 /nfs/dbraw/zinc/19/30/19/1089193019.db2.gz NVPWWMXXABNZFI-WJFTUGDTSA-N 1 0 324.472 3.184 20 10 DGCDRO CC[N@@H+]1CCN(Cc2cc(Cl)c(Cl)cc2O)[C@H](C)C1 ZINC001236805562 1089945830 /nfs/dbraw/zinc/94/58/30/1089945830.db2.gz ZFGFRUIROYHLIF-SNVBAGLBSA-N 1 0 303.233 3.225 20 10 DGCDRO Cn1cncc1-c1cccc(N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC001162853343 1089993243 /nfs/dbraw/zinc/99/32/43/1089993243.db2.gz HXSIDKJQSRHEID-INIZCTEOSA-N 1 0 304.397 3.109 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C)cc1C ZINC001485213805 1090033945 /nfs/dbraw/zinc/03/39/45/1090033945.db2.gz CCRRAVYUPHEBSD-ZIAGYGMSSA-N 1 0 306.450 3.033 20 10 DGCDRO Cc1c(N)cc[nH+]c1NCc1cc(Cl)c2cccnc2c1O ZINC001168527074 1090341021 /nfs/dbraw/zinc/34/10/21/1090341021.db2.gz CFHDVRNGLXEEAO-UHFFFAOYSA-N 1 0 314.776 3.492 20 10 DGCDRO [NH3+][C@@H]1CCN(c2c(Cl)cc(OC(F)(F)F)cc2Cl)C1 ZINC001164286734 1090394249 /nfs/dbraw/zinc/39/42/49/1090394249.db2.gz XCFMAWZSZUAAPF-ZCFIWIBFSA-N 1 0 315.122 3.429 20 10 DGCDRO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C)cc2O)C1=O ZINC001272764654 1090560036 /nfs/dbraw/zinc/56/00/36/1090560036.db2.gz CLBORVFWHZLOQJ-LJQANCHMSA-N 1 0 316.445 3.068 20 10 DGCDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccccc1O ZINC001203549913 1090753582 /nfs/dbraw/zinc/75/35/82/1090753582.db2.gz CJMFRUJIPBGINU-AWEZNQCLSA-N 1 0 320.433 3.224 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001203556377 1090753972 /nfs/dbraw/zinc/75/39/72/1090753972.db2.gz ODFVTGJGUSVJHD-CQSZACIVSA-N 1 0 305.324 3.324 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC001203556164 1090754531 /nfs/dbraw/zinc/75/45/31/1090754531.db2.gz LTSQJRLFMLQXQN-HNNXBMFYSA-N 1 0 320.433 3.224 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001203560666 1090757131 /nfs/dbraw/zinc/75/71/31/1090757131.db2.gz FPURNONZTICJIQ-UHFFFAOYSA-N 1 0 322.452 3.490 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)c1O ZINC001203595836 1090764236 /nfs/dbraw/zinc/76/42/36/1090764236.db2.gz QPCIEBCFDAEWPQ-MRXNPFEDSA-N 1 0 313.397 3.363 20 10 DGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cccc(OC)c1O)CCC2 ZINC001203601783 1090765171 /nfs/dbraw/zinc/76/51/71/1090765171.db2.gz KZSHRLRUBLOVPL-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1O ZINC001203601572 1090765431 /nfs/dbraw/zinc/76/54/31/1090765431.db2.gz AVBLXRDFVPJIQI-INIZCTEOSA-N 1 0 311.381 3.106 20 10 DGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2O)cn1 ZINC001203650341 1090773599 /nfs/dbraw/zinc/77/35/99/1090773599.db2.gz PUDJZJBIJCSGDA-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO Cc1cccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665786 1090775649 /nfs/dbraw/zinc/77/56/49/1090775649.db2.gz UKFGSAAOTLPDII-OAHLLOKOSA-N 1 0 318.804 3.402 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1Cc2ccccc2O1 ZINC001203665682 1090776373 /nfs/dbraw/zinc/77/63/73/1090776373.db2.gz UDKCLUQHMJFFCQ-OAHLLOKOSA-N 1 0 303.789 3.481 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cccc(OC)c2OC)c1 ZINC001203680362 1090779162 /nfs/dbraw/zinc/77/91/62/1090779162.db2.gz QZQYFJJZBDMGMQ-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO COC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@@H]1CCCOC1 ZINC001203706603 1090785511 /nfs/dbraw/zinc/78/55/11/1090785511.db2.gz OEVYVCCZWMPIGH-WBVHZDCISA-N 1 0 316.445 3.018 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@]23C[C@H]2COC32CCC2)cc1F ZINC001203808934 1090810565 /nfs/dbraw/zinc/81/05/65/1090810565.db2.gz BJJJKMOOSBEIPY-HNAYVOBHSA-N 1 0 318.436 3.473 20 10 DGCDRO CC[N@H+](Cc1cc(OC)cc(OC)c1)Cc1ccccc1O ZINC001203857652 1090820144 /nfs/dbraw/zinc/82/01/44/1090820144.db2.gz HKCBZVFRQHUCOH-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(O)c(O)c1 ZINC001203879464 1090825956 /nfs/dbraw/zinc/82/59/56/1090825956.db2.gz QYLLKFFWFALJRP-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO Oc1ccc(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)cc1O ZINC001203879943 1090826436 /nfs/dbraw/zinc/82/64/36/1090826436.db2.gz KJVYUSNGTXYUEF-KRWDZBQOSA-N 1 0 313.397 3.279 20 10 DGCDRO Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879664 1090826528 /nfs/dbraw/zinc/82/65/28/1090826528.db2.gz WZACWUTWCMPOPN-MRXNPFEDSA-N 1 0 313.397 3.450 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(O)c(O)c1 ZINC001203879124 1090826659 /nfs/dbraw/zinc/82/66/59/1090826659.db2.gz MCYYJROOUUZYJR-UHFFFAOYSA-N 1 0 312.413 3.330 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203931782 1090842999 /nfs/dbraw/zinc/84/29/99/1090842999.db2.gz WBWQAYHSVGYQOM-IBGZPJMESA-N 1 0 318.461 3.308 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)cc1 ZINC001203934419 1090843379 /nfs/dbraw/zinc/84/33/79/1090843379.db2.gz VMTBCQMIMHDADY-UHFFFAOYSA-N 1 0 311.429 3.191 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH+](CC)CC)C2)cc1 ZINC001203942421 1090845904 /nfs/dbraw/zinc/84/59/04/1090845904.db2.gz PXKDSPPNXQXPBY-LJQANCHMSA-N 1 0 303.494 3.449 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC([N@H+](C)CC)CC2)cc1 ZINC001203943882 1090846850 /nfs/dbraw/zinc/84/68/50/1090846850.db2.gz IFOPJWRIPQOMLR-UHFFFAOYSA-N 1 0 303.494 3.449 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c2ccccc21 ZINC001204232363 1090929206 /nfs/dbraw/zinc/92/92/06/1090929206.db2.gz BFRCPFJEHSGOCD-PKOBYXMFSA-N 1 0 316.420 3.201 20 10 DGCDRO Oc1ccc(C[NH+]2CCC(Sc3ccncc3)CC2)c(O)c1 ZINC001204277794 1090939588 /nfs/dbraw/zinc/93/95/88/1090939588.db2.gz AEYJDESGXBOKKG-UHFFFAOYSA-N 1 0 316.426 3.250 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321002 1090947931 /nfs/dbraw/zinc/94/79/31/1090947931.db2.gz CCHVUVWLKQCHRD-NVXWUHKLSA-N 1 0 316.445 3.060 20 10 DGCDRO CC[C@H](C)[C@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)OC ZINC001205101415 1091101858 /nfs/dbraw/zinc/10/18/58/1091101858.db2.gz SBSKIDZNEJTXHK-WDYCEAGBSA-N 1 0 321.461 3.434 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCC2(COC2)CC1 ZINC001138214060 1091118247 /nfs/dbraw/zinc/11/82/47/1091118247.db2.gz OPRVRHZPDCMWKY-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1CO ZINC001138215408 1091118635 /nfs/dbraw/zinc/11/86/35/1091118635.db2.gz DNKOZZIBWINRPD-LPHOPBHVSA-N 1 0 302.462 3.270 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCCC1=O ZINC001138215515 1091118690 /nfs/dbraw/zinc/11/86/90/1091118690.db2.gz IHFDVWHCCUERSI-INIZCTEOSA-N 1 0 300.446 3.478 20 10 DGCDRO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138219967 1091119638 /nfs/dbraw/zinc/11/96/38/1091119638.db2.gz VWADLWRIPULTPV-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220454 1091119923 /nfs/dbraw/zinc/11/99/23/1091119923.db2.gz DYJBQQBQQAOORL-FQEVSTJZSA-N 1 0 313.489 3.345 20 10 DGCDRO O=C1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]12 ZINC001138222085 1091120225 /nfs/dbraw/zinc/12/02/25/1091120225.db2.gz GFOSMHXMCIJHIK-MJGOQNOKSA-N 1 0 312.457 3.478 20 10 DGCDRO COC(=O)C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138222035 1091120392 /nfs/dbraw/zinc/12/03/92/1091120392.db2.gz CDTOLGBFTYLSHE-QGZVFWFLSA-N 1 0 316.445 3.062 20 10 DGCDRO Cc1c(C[NH+]2CCC3(CCC(=O)O3)CC2)c2ccccc2n1C ZINC001138256606 1091126826 /nfs/dbraw/zinc/12/68/26/1091126826.db2.gz CIQOGUCILXDSDX-UHFFFAOYSA-N 1 0 312.413 3.158 20 10 DGCDRO Cc1c(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c2ccccc2n1C ZINC001138260138 1091128320 /nfs/dbraw/zinc/12/83/20/1091128320.db2.gz WDCICDUHEUDJKV-OAHLLOKOSA-N 1 0 314.429 3.214 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c(O)c1 ZINC001205238829 1091144557 /nfs/dbraw/zinc/14/45/57/1091144557.db2.gz XNSHZXHWSSXUGD-MSOLQXFVSA-N 1 0 305.418 3.004 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC(C)(C)C[C@]3(C)CO)ccc21 ZINC001138354697 1091149638 /nfs/dbraw/zinc/14/96/38/1091149638.db2.gz QNPSGRQUXHLNTC-LJQANCHMSA-N 1 0 302.462 3.052 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCC(=O)[C@@H]4CCCC[C@H]43)ccc21 ZINC001138354858 1091150768 /nfs/dbraw/zinc/15/07/68/1091150768.db2.gz WWVKLYFMVQGNTO-IEBWSBKVSA-N 1 0 312.457 3.403 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCOc4ccccc4C3)ccc21 ZINC001138358440 1091152173 /nfs/dbraw/zinc/15/21/73/1091152173.db2.gz RRZSUNVXLRHPKH-UHFFFAOYSA-N 1 0 308.425 3.464 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001138363877 1091154438 /nfs/dbraw/zinc/15/44/38/1091154438.db2.gz ROSNIZHVPDSQCP-DOTOQJQBSA-N 1 0 317.477 3.050 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c(OC)c1 ZINC001138389274 1091162848 /nfs/dbraw/zinc/16/28/48/1091162848.db2.gz HYNYCAPERKXKSJ-MRXNPFEDSA-N 1 0 320.477 3.136 20 10 DGCDRO COC(=O)C1(C)CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001168761332 1091224967 /nfs/dbraw/zinc/22/49/67/1091224967.db2.gz AHSCGBHKHTYRSK-UHFFFAOYSA-N 1 0 305.418 3.215 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2cc(Cl)c(C)cc2O)CCCC1 ZINC001205628184 1091289007 /nfs/dbraw/zinc/28/90/07/1091289007.db2.gz GQKHUMWWRVUCCR-UHFFFAOYSA-N 1 0 311.809 3.320 20 10 DGCDRO C[C@H]1CC[C@H](CN)[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806306 1091358629 /nfs/dbraw/zinc/35/86/29/1091358629.db2.gz TWRVAYNAJJENEU-DOTOQJQBSA-N 1 0 311.473 3.465 20 10 DGCDRO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001205916174 1091411614 /nfs/dbraw/zinc/41/16/14/1091411614.db2.gz SGYMDEUOKFJRHH-ZJUUUORDSA-N 1 0 303.233 3.258 20 10 DGCDRO COc1cc(C[N@H+](C(C)C)C2COC2)c(O)c(C(C)(C)C)c1 ZINC001205960612 1091429127 /nfs/dbraw/zinc/42/91/27/1091429127.db2.gz WFLDBRKWGUNDOM-UHFFFAOYSA-N 1 0 307.434 3.308 20 10 DGCDRO CC[C@H]1CCC[N@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139132661 1091459070 /nfs/dbraw/zinc/45/90/70/1091459070.db2.gz YXHMNCXMQIHYHY-ZDUSSCGKSA-N 1 0 301.386 3.429 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001139129212 1091459191 /nfs/dbraw/zinc/45/91/91/1091459191.db2.gz QSYWNRALEXDPQZ-INIZCTEOSA-N 1 0 321.323 3.038 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc2nonc2c1 ZINC001139221329 1091493199 /nfs/dbraw/zinc/49/31/99/1091493199.db2.gz GDZZPPUUJJKVSJ-UHFFFAOYSA-N 1 0 322.412 3.455 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206371000 1091603691 /nfs/dbraw/zinc/60/36/91/1091603691.db2.gz QXRURGDYRBJSMB-GOSISDBHSA-N 1 0 308.441 3.343 20 10 DGCDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139672585 1091637835 /nfs/dbraw/zinc/63/78/35/1091637835.db2.gz YQEQBSSVZDYPBY-MJGOQNOKSA-N 1 0 302.462 3.310 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@@H]([NH3+])C[C@H](F)C2)cc1Cl ZINC001206456745 1091637963 /nfs/dbraw/zinc/63/79/63/1091637963.db2.gz PFCBBAQRGDYKKK-RYUDHWBXSA-N 1 0 314.832 3.214 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674410 1091639039 /nfs/dbraw/zinc/63/90/39/1091639039.db2.gz YPEBWHKTOLNQIR-QGZVFWFLSA-N 1 0 318.461 3.226 20 10 DGCDRO Cc1cc(C[NH+]2CC3(C2)CC(F)(F)CS3)ccc1N(C)C ZINC001139674078 1091639094 /nfs/dbraw/zinc/63/90/94/1091639094.db2.gz PJEXGMFHLOMWPP-UHFFFAOYSA-N 1 0 312.429 3.388 20 10 DGCDRO [NH3+]CCC1CC[NH+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001206506689 1091652277 /nfs/dbraw/zinc/65/22/77/1091652277.db2.gz LLNUFGWQXHJVHW-UHFFFAOYSA-N 1 0 303.233 3.260 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CS1 ZINC000691408576 1091738113 /nfs/dbraw/zinc/73/81/13/1091738113.db2.gz YVHRTESXWBTDJH-KCJUWKMLSA-N 1 0 302.237 3.138 20 10 DGCDRO Cc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055545 1091751363 /nfs/dbraw/zinc/75/13/63/1091751363.db2.gz KENDHXFJIOKOSP-MRXNPFEDSA-N 1 0 301.361 3.493 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC2(COc3ccccc32)CC1 ZINC001140060000 1091755093 /nfs/dbraw/zinc/75/50/93/1091755093.db2.gz FWZNKZWGGMSWIA-UHFFFAOYSA-N 1 0 313.372 3.458 20 10 DGCDRO Cc1ccc(C)c(CN2CC[NH+](C3CCCCC3)CC2)c1O ZINC001140178739 1091792448 /nfs/dbraw/zinc/79/24/48/1091792448.db2.gz WBUVQQRHGFCOAS-UHFFFAOYSA-N 1 0 302.462 3.459 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C[C@H]1C ZINC001140184852 1091795543 /nfs/dbraw/zinc/79/55/43/1091795543.db2.gz IKTOUJSHEWQWBA-CVEARBPZSA-N 1 0 319.445 3.420 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3CC4CCC(CC4)C3)cc2)CC1 ZINC001140286228 1091817523 /nfs/dbraw/zinc/81/75/23/1091817523.db2.gz BFOSBGZRFPRMPA-UHFFFAOYSA-N 1 0 314.473 3.270 20 10 DGCDRO CN(Cc1cnc2ccccn12)Cc1c(O)cccc1Cl ZINC001140338144 1091833627 /nfs/dbraw/zinc/83/36/27/1091833627.db2.gz XAISPNVCMGVDAS-UHFFFAOYSA-N 1 0 301.777 3.325 20 10 DGCDRO CCOc1ccc(N2CC[NH+](Cc3cccnc3C)CC2)cc1 ZINC001207154304 1091865670 /nfs/dbraw/zinc/86/56/70/1091865670.db2.gz OXUWWPDUSRKELP-UHFFFAOYSA-N 1 0 311.429 3.111 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001140462613 1091876008 /nfs/dbraw/zinc/87/60/08/1091876008.db2.gz JHOPXPHYJDGQLX-CYBMUJFWSA-N 1 0 323.742 3.325 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1O ZINC001140465395 1091876082 /nfs/dbraw/zinc/87/60/82/1091876082.db2.gz LUEAEZPTFIJISK-UHFFFAOYSA-N 1 0 305.761 3.406 20 10 DGCDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464675 1091876121 /nfs/dbraw/zinc/87/61/21/1091876121.db2.gz ZVDRIICDOUABCQ-UHFFFAOYSA-N 1 0 324.852 3.267 20 10 DGCDRO O=C1CCCCN1C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140465087 1091876148 /nfs/dbraw/zinc/87/61/48/1091876148.db2.gz HFMNQXAGAJSIHM-UHFFFAOYSA-N 1 0 322.836 3.023 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140462251 1091876893 /nfs/dbraw/zinc/87/68/93/1091876893.db2.gz CEPKAQXQRMPUPY-UHFFFAOYSA-N 1 0 311.809 3.211 20 10 DGCDRO Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140468252 1091879294 /nfs/dbraw/zinc/87/92/94/1091879294.db2.gz BYSREOJBRNYOAU-HNNXBMFYSA-N 1 0 318.804 3.402 20 10 DGCDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc(F)ccc1O ZINC001207208171 1091888977 /nfs/dbraw/zinc/88/89/77/1091888977.db2.gz FHIWHDSWQCHMEK-QGZVFWFLSA-N 1 0 323.795 3.268 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c1 ZINC001140620935 1091933994 /nfs/dbraw/zinc/93/39/94/1091933994.db2.gz ITFCTZYTEKQUAK-UHFFFAOYSA-N 1 0 315.388 3.323 20 10 DGCDRO CCc1nnc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)o1 ZINC001140623533 1091935533 /nfs/dbraw/zinc/93/55/33/1091935533.db2.gz TTXQCIWZMSQENM-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO C[C@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660177 1091948469 /nfs/dbraw/zinc/94/84/69/1091948469.db2.gz IKZJHRLQGOOSGU-HNNXBMFYSA-N 1 0 306.425 3.284 20 10 DGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140744842 1091983399 /nfs/dbraw/zinc/98/33/99/1091983399.db2.gz NCQXZDZOCLADGW-QAPCUYQASA-N 1 0 305.418 3.045 20 10 DGCDRO COc1cccc(CC[N@H+](C)Cc2ccc(O)c(C)c2O)c1 ZINC001140748754 1091984999 /nfs/dbraw/zinc/98/49/99/1091984999.db2.gz JJTNJIQOOMCBKO-UHFFFAOYSA-N 1 0 301.386 3.089 20 10 DGCDRO CCN(CC)c1ccc(CN(C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001140852936 1092029311 /nfs/dbraw/zinc/02/93/11/1092029311.db2.gz FXZFHXBPWBNFQK-UHFFFAOYSA-N 1 0 322.449 3.012 20 10 DGCDRO CCN(CC)c1ccc(CN(C)CC[NH+](CC)CC)c(O)c1 ZINC001140851330 1092029451 /nfs/dbraw/zinc/02/94/51/1092029451.db2.gz HOWHPHOTYMDFDD-UHFFFAOYSA-N 1 0 307.482 3.012 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(O)c1 ZINC001140856391 1092030769 /nfs/dbraw/zinc/03/07/69/1092030769.db2.gz JHJMWHYLLTWKLA-YOEHRIQHSA-N 1 0 316.445 3.039 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H]2C(C)C)c(O)c1 ZINC001140855466 1092030811 /nfs/dbraw/zinc/03/08/11/1092030811.db2.gz AESYQBCXHIXLCV-QGZVFWFLSA-N 1 0 306.450 3.095 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[NH+](C(C)(C)C)CC2)c(O)c1 ZINC001140855494 1092031923 /nfs/dbraw/zinc/03/19/23/1092031923.db2.gz BKROVWBNPJYFJG-UHFFFAOYSA-N 1 0 319.493 3.155 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(N)c1 ZINC001140901153 1092056378 /nfs/dbraw/zinc/05/63/78/1092056378.db2.gz FQJKJZDZSFHOLQ-UHFFFAOYSA-N 1 0 313.445 3.366 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](F)(CO)CC2)c(Cl)c1 ZINC001140922313 1092062268 /nfs/dbraw/zinc/06/22/68/1092062268.db2.gz NSSGFFMPQVPKBL-MRXNPFEDSA-N 1 0 314.832 3.093 20 10 DGCDRO Cc1ccc(C2(O)CC[NH+](Cc3ccc(C)cc3O)CC2)cc1 ZINC001140948514 1092074808 /nfs/dbraw/zinc/07/48/08/1092074808.db2.gz LBXLTPJHISYMSE-UHFFFAOYSA-N 1 0 311.425 3.493 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(CCc3ccccc3)CC2)c(O)c1 ZINC001140949704 1092075606 /nfs/dbraw/zinc/07/56/06/1092075606.db2.gz ISOJUFGHJQCRHG-UHFFFAOYSA-N 1 0 310.441 3.061 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC001140948342 1092076197 /nfs/dbraw/zinc/07/61/97/1092076197.db2.gz FWGFEYBUAJFCLK-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO COC(=O)c1ccc(C2C[NH+](Cc3ccc(C)cc3O)C2)cc1 ZINC001140954234 1092080307 /nfs/dbraw/zinc/08/03/07/1092080307.db2.gz NQHLATFFMKKWAE-UHFFFAOYSA-N 1 0 311.381 3.087 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2ccc(C)cc2O)c1OC ZINC001140958005 1092082790 /nfs/dbraw/zinc/08/27/90/1092082790.db2.gz PMTRLHBWFDAVEW-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO [O-]c1cc(Cl)ccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001207786740 1092100805 /nfs/dbraw/zinc/10/08/05/1092100805.db2.gz AUGVIXABMBKEBJ-UHFFFAOYSA-N 1 0 317.820 3.199 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(C)cc2)c(OC)c1 ZINC001141027407 1092110615 /nfs/dbraw/zinc/11/06/15/1092110615.db2.gz YTAJNSDQACOBQI-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccn2ccnc2c1 ZINC001141050004 1092120746 /nfs/dbraw/zinc/12/07/46/1092120746.db2.gz WKZMPFJSEIBAOR-UHFFFAOYSA-N 1 0 308.429 3.422 20 10 DGCDRO COCC1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074473 1092127429 /nfs/dbraw/zinc/12/74/29/1092127429.db2.gz IWVHSRVWACETAH-UHFFFAOYSA-N 1 0 314.473 3.244 20 10 DGCDRO Cc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141141271 1092148063 /nfs/dbraw/zinc/14/80/63/1092148063.db2.gz WLCKZQCCIVBPRW-UHFFFAOYSA-N 1 0 308.425 3.382 20 10 DGCDRO CN1CCOc2cc(C[N@H+](C)Cc3ccccc3F)ccc21 ZINC001141143347 1092150444 /nfs/dbraw/zinc/15/04/44/1092150444.db2.gz VRVHHQZRNZQVBP-UHFFFAOYSA-N 1 0 300.377 3.286 20 10 DGCDRO Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141158529 1092156151 /nfs/dbraw/zinc/15/61/51/1092156151.db2.gz CQXIDGGUZZVCRE-KRWDZBQOSA-N 1 0 313.397 3.450 20 10 DGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC001141163094 1092157700 /nfs/dbraw/zinc/15/77/00/1092157700.db2.gz ORJACFONDZTWOC-MRXNPFEDSA-N 1 0 301.361 3.444 20 10 DGCDRO CN(C)c1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001141268415 1092196088 /nfs/dbraw/zinc/19/60/88/1092196088.db2.gz IXTHVWBMOXOWSF-UHFFFAOYSA-N 1 0 312.413 3.112 20 10 DGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cccc(CO)c1 ZINC000121885265 1092235154 /nfs/dbraw/zinc/23/51/54/1092235154.db2.gz QZYTVKBWCQXYOC-LBPRGKRZSA-N 1 0 308.472 3.468 20 10 DGCDRO COc1ccc(N2CC[NH+](CCc3cccc(F)c3)CC2)cc1 ZINC001208196232 1092258203 /nfs/dbraw/zinc/25/82/03/1092258203.db2.gz KPLRDNUODLQFSU-UHFFFAOYSA-N 1 0 314.404 3.199 20 10 DGCDRO CC/C=C\CC[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001208734689 1092481255 /nfs/dbraw/zinc/48/12/55/1092481255.db2.gz RMSAJZNCYGFXOM-PLNGDYQASA-N 1 0 318.461 3.190 20 10 DGCDRO C[N@H+](CCOCCOCc1ccccc1)Cc1ccccc1O ZINC001208749843 1092487906 /nfs/dbraw/zinc/48/79/06/1092487906.db2.gz FMKXUDGECISMFT-UHFFFAOYSA-N 1 0 315.413 3.057 20 10 DGCDRO C[NH+](C)CCN(Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142502542 1092490469 /nfs/dbraw/zinc/49/04/69/1092490469.db2.gz RQUQDXCJPXSSPG-UHFFFAOYSA-N 1 0 320.383 3.234 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169044623 1092501589 /nfs/dbraw/zinc/50/15/89/1092501589.db2.gz IMKASRXSQINHDB-RDJZCZTQSA-N 1 0 305.422 3.020 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143103438 1092614958 /nfs/dbraw/zinc/61/49/58/1092614958.db2.gz DIUZGDAYZVDURU-AWEZNQCLSA-N 1 0 305.418 3.075 20 10 DGCDRO CC[N@@H+](Cc1ccccc1O)CC1CCC2(CC1)OCCO2 ZINC001209105485 1092654641 /nfs/dbraw/zinc/65/46/41/1092654641.db2.gz OWGPRCCKFOSDBJ-UHFFFAOYSA-N 1 0 305.418 3.147 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC001209519651 1092806970 /nfs/dbraw/zinc/80/69/70/1092806970.db2.gz ZUDKWAYXIDZBAY-GOSISDBHSA-N 1 0 302.393 3.000 20 10 DGCDRO COCC[NH+](CCOC)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209519603 1092807781 /nfs/dbraw/zinc/80/77/81/1092807781.db2.gz XMRZZCFPQQNLQR-UHFFFAOYSA-N 1 0 316.445 3.189 20 10 DGCDRO CC[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[NH+](C)C ZINC001151152815 1092870676 /nfs/dbraw/zinc/87/06/76/1092870676.db2.gz DVIYNKBBQAUHNK-SFHVURJKSA-N 1 0 313.445 3.051 20 10 DGCDRO CCC(C)(CC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001151606551 1092928444 /nfs/dbraw/zinc/92/84/44/1092928444.db2.gz KUKLOUQJUACHTH-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000401529220 1093953516 /nfs/dbraw/zinc/95/35/16/1093953516.db2.gz PIYJCAFAIDEBDZ-OAHLLOKOSA-N 1 0 320.433 3.270 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000401993776 1093983066 /nfs/dbraw/zinc/98/30/66/1093983066.db2.gz MTYFVTCZOFDIDC-GAFUQQFSSA-N 1 0 314.223 3.373 20 10 DGCDRO Cc1cccc(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)c1O ZINC000406151550 1094495405 /nfs/dbraw/zinc/49/54/05/1094495405.db2.gz WFRFEAQHYKMROH-FQEVSTJZSA-N 1 0 310.441 3.455 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC001336284504 1094614722 /nfs/dbraw/zinc/61/47/22/1094614722.db2.gz AEOJCIKOPCDHKM-RBUKOAKNSA-N 1 0 314.404 3.496 20 10 DGCDRO CC(C)[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(F)(F)F ZINC001218193166 1094651420 /nfs/dbraw/zinc/65/14/20/1094651420.db2.gz NTPDCEQPNRLNRX-CQSZACIVSA-N 1 0 302.340 3.062 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001337786143 1095094359 /nfs/dbraw/zinc/09/43/59/1095094359.db2.gz VDEVLGNCGBMLCT-IUODEOHRSA-N 1 0 310.397 3.138 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCN(CC2CC2)C1 ZINC001337784976 1095095307 /nfs/dbraw/zinc/09/53/07/1095095307.db2.gz HKYTZVHPJUTFHF-VNQPRFMTSA-N 1 0 300.446 3.323 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000315473546 1095108566 /nfs/dbraw/zinc/10/85/66/1095108566.db2.gz KCSDXZZGEVZTCQ-XJKSGUPXSA-N 1 0 300.446 3.465 20 10 DGCDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001220896763 1095171274 /nfs/dbraw/zinc/17/12/74/1095171274.db2.gz WFFFDKSCQXDYMZ-OXBTWTFQSA-N 1 0 324.384 3.289 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(O)CCC(C)(C)CC2)c1 ZINC000316391237 1095171746 /nfs/dbraw/zinc/17/17/46/1095171746.db2.gz WIHJVDCJGODVBB-CYBMUJFWSA-N 1 0 307.434 3.383 20 10 DGCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(O)ccc(Cl)c1Cl ZINC001276819272 1095211092 /nfs/dbraw/zinc/21/10/92/1095211092.db2.gz RHGVDJYKMHVSBL-FGWVZKOKSA-N 1 0 315.244 3.414 20 10 DGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001338185073 1095214075 /nfs/dbraw/zinc/21/40/75/1095214075.db2.gz CZHZFFRWCOIOFM-RDBSUJKOSA-N 1 0 318.417 3.069 20 10 DGCDRO Oc1c(CN2CC[C@]23CCC[NH2+]C3)cccc1-c1ccccc1 ZINC001222196775 1095487761 /nfs/dbraw/zinc/48/77/61/1095487761.db2.gz CCAZVRCJUFEJIB-FQEVSTJZSA-N 1 0 308.425 3.387 20 10 DGCDRO Cc1cc(CN2CCC[C@]3(CC[NH2+]3)C2)c(C)n1-c1ccccc1 ZINC001222283406 1095530424 /nfs/dbraw/zinc/53/04/24/1095530424.db2.gz YEZJAEWSYFEFEV-FQEVSTJZSA-N 1 0 309.457 3.422 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@]3(CCC[NH2+]3)C2)c(Cl)c1 ZINC001222353634 1095567556 /nfs/dbraw/zinc/56/75/56/1095567556.db2.gz DFSXIBHJKRBMLV-QGZVFWFLSA-N 1 0 307.869 3.124 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC[C@@]3(CCCC[NH2+]3)C2)c1O ZINC001222395883 1095592889 /nfs/dbraw/zinc/59/28/89/1095592889.db2.gz NLMCTZBOZOBJRF-KRWDZBQOSA-N 1 0 324.852 3.162 20 10 DGCDRO CC(=O)N1CCC(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001116565000 1095602234 /nfs/dbraw/zinc/60/22/34/1095602234.db2.gz DCHGTPIAVSUVIQ-CJNGLKHVSA-N 1 0 316.445 3.097 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c(O)c1 ZINC001144509395 1095698069 /nfs/dbraw/zinc/69/80/69/1095698069.db2.gz VNSWXKSABLZWOC-HNNXBMFYSA-N 1 0 303.333 3.280 20 10 DGCDRO COc1ccc([C@H](C)[N@H+](C)Cc2c(O)cc(O)cc2O)cc1 ZINC001144514742 1095700507 /nfs/dbraw/zinc/70/05/07/1095700507.db2.gz QLRCHDRHUBVLPX-NSHDSACASA-N 1 0 303.358 3.005 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])C1CCCCC1 ZINC001118270208 1095971928 /nfs/dbraw/zinc/97/19/28/1095971928.db2.gz YISPOWWEDPYOIY-GOSISDBHSA-N 1 0 317.477 3.009 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001118287435 1095975469 /nfs/dbraw/zinc/97/54/69/1095975469.db2.gz ZLMAPVQOIUNTHB-MSOLQXFVSA-N 1 0 317.477 3.009 20 10 DGCDRO C[C@H](Cc1ccncc1)[NH2+]Cc1c(O)cccc1Br ZINC001118855143 1096092624 /nfs/dbraw/zinc/09/26/24/1096092624.db2.gz AKUQCDVVVQVFNS-LLVKDONJSA-N 1 0 321.218 3.271 20 10 DGCDRO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3cccc(C)c3O)C2)cc1 ZINC001119516276 1096218843 /nfs/dbraw/zinc/21/88/43/1096218843.db2.gz SWHUWDZHMNNXEI-QGZVFWFLSA-N 1 0 310.397 3.292 20 10 DGCDRO C[C@H](c1ccccc1)[N@H+](CC[N+](=O)[O-])Cc1ccccc1O ZINC001119767838 1096258262 /nfs/dbraw/zinc/25/82/62/1096258262.db2.gz ADAKBAIMOYTPIH-CQSZACIVSA-N 1 0 300.358 3.232 20 10 DGCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c(OC)c1 ZINC001276995094 1096280498 /nfs/dbraw/zinc/28/04/98/1096280498.db2.gz WVLNICAXUCERFU-IRXDYDNUSA-N 1 0 316.445 3.299 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)c(O)c1 ZINC001171345126 1096497148 /nfs/dbraw/zinc/49/71/48/1096497148.db2.gz HHYCLPRSLPPTED-CYBMUJFWSA-N 1 0 305.324 3.023 20 10 DGCDRO CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087105118 1096531685 /nfs/dbraw/zinc/53/16/85/1096531685.db2.gz NDPSSNKOYVJOEM-PBHICJAKSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CC[C@H](C3CC3)O2)cc1 ZINC001171730492 1096957055 /nfs/dbraw/zinc/95/70/55/1096957055.db2.gz WLLMJECRCRMTEC-RTBURBONSA-N 1 0 318.461 3.021 20 10 DGCDRO O=C(C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)c1ccc(O)c(O)c1 ZINC001172552543 1097177865 /nfs/dbraw/zinc/17/78/65/1097177865.db2.gz GCWXUWYKKJCCEU-GDBMZVCRSA-N 1 0 311.381 3.206 20 10 DGCDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001172591853 1097189551 /nfs/dbraw/zinc/18/95/51/1097189551.db2.gz LNDHJVSYMKGLBR-DLBZAZTESA-N 1 0 316.445 3.108 20 10 DGCDRO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1O ZINC001172944348 1097289078 /nfs/dbraw/zinc/28/90/78/1097289078.db2.gz SDGTUWDIXAABCO-CYBMUJFWSA-N 1 0 308.422 3.127 20 10 DGCDRO CCOC(=O)[C@@H]1CC12CCC([NH2+]Cc1cccc(C)c1O)CC2 ZINC001173607673 1097471857 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Cc1cccc(C[N@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c1O ZINC001231592088 1097786696 /nfs/dbraw/zinc/78/66/96/1097786696.db2.gz GRUHJKAYRUPQPD-ICSRJNTNSA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)c1O ZINC001231594883 1097788593 /nfs/dbraw/zinc/78/85/93/1097788593.db2.gz LYIFEHJBXLMSKD-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO COc1cc(C[N@H+](C)[C@H](C)c2ccccc2OC)c(O)cc1O ZINC001231637709 1097798650 /nfs/dbraw/zinc/79/86/50/1097798650.db2.gz QTLXNBKIEQOBMZ-GFCCVEGCSA-N 1 0 317.385 3.308 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001231842239 1097860389 /nfs/dbraw/zinc/86/03/89/1097860389.db2.gz LLOJFOTXVFGIIA-OAHLLOKOSA-N 1 0 317.351 3.288 20 10 DGCDRO CCc1noc(C2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)n1 ZINC001231849118 1097864194 /nfs/dbraw/zinc/86/41/94/1097864194.db2.gz NEZBCOHBSMXTMA-UHFFFAOYSA-N 1 0 315.417 3.334 20 10 DGCDRO CCC(=O)N(C)C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231872071 1097871249 /nfs/dbraw/zinc/87/12/49/1097871249.db2.gz VVXKJHKYGSQPOY-UHFFFAOYSA-N 1 0 324.852 3.187 20 10 DGCDRO CCC[NH+]1C[C@@H]2CN(Cc3cc(Cl)c(C)cc3O)C[C@H]2C1 ZINC001231871461 1097871963 /nfs/dbraw/zinc/87/19/63/1097871963.db2.gz KZRQACDBZZZWCE-HUUCEWRRSA-N 1 0 308.853 3.128 20 10 DGCDRO OC[C@@]1(F)CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001231879540 1097876866 /nfs/dbraw/zinc/87/68/66/1097876866.db2.gz HMTCXHWHKIHBHS-GOSISDBHSA-N 1 0 303.377 3.232 20 10 DGCDRO CC1(C)CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203300 1097963029 /nfs/dbraw/zinc/96/30/29/1097963029.db2.gz SMTTXJPWTIOQDF-UHFFFAOYSA-N 1 0 308.853 3.409 20 10 DGCDRO C[N@H+](CCC1CC1)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232200291 1097963630 /nfs/dbraw/zinc/96/36/30/1097963630.db2.gz SFCHANGONGUDEU-UHFFFAOYSA-N 1 0 308.853 3.409 20 10 DGCDRO C[N@H+](Cc1cccc2c1OCO2)Cc1cc(Cl)c(O)cc1O ZINC001232264987 1097986485 /nfs/dbraw/zinc/98/64/85/1097986485.db2.gz MNCIXLFNYQBZKT-UHFFFAOYSA-N 1 0 321.760 3.112 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2Cc2ccccn2)cc1Cl ZINC001232268331 1097988860 /nfs/dbraw/zinc/98/88/60/1097988860.db2.gz OMKFBKNJLIZDPV-AWEZNQCLSA-N 1 0 318.804 3.353 20 10 DGCDRO COC(=O)c1c(C[N@H+](CC2CC2)C2CC2)c2ccccc2n1C ZINC001232404530 1098030477 /nfs/dbraw/zinc/03/04/77/1098030477.db2.gz VICIQDCXRUOWSU-UHFFFAOYSA-N 1 0 312.413 3.339 20 10 DGCDRO Cc1cccc(F)c1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001232483707 1098054285 /nfs/dbraw/zinc/05/42/85/1098054285.db2.gz NVCHBFGANJIURD-UHFFFAOYSA-N 1 0 301.361 3.494 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)ccc1N ZINC001232511484 1098064879 /nfs/dbraw/zinc/06/48/79/1098064879.db2.gz BAVRCDAPSRJYQW-UHFFFAOYSA-N 1 0 301.409 3.496 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001232835349 1098148357 /nfs/dbraw/zinc/14/83/57/1098148357.db2.gz BCVHYOWRKJLVNV-AWEZNQCLSA-N 1 0 302.340 3.027 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(O)c1 ZINC001232836551 1098149330 /nfs/dbraw/zinc/14/93/30/1098149330.db2.gz PTLXOSBAZGSOIO-UHFFFAOYSA-N 1 0 302.340 3.233 20 10 DGCDRO CC[C@@H](C)[N@H+](C)Cc1ccc(I)cc1O ZINC001232975820 1098191904 /nfs/dbraw/zinc/19/19/04/1098191904.db2.gz KJPHHPXXYLOXGR-SECBINFHSA-N 1 0 319.186 3.227 20 10 DGCDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233016832 1098203709 /nfs/dbraw/zinc/20/37/09/1098203709.db2.gz PUGONHVIKRDSKL-LLVKDONJSA-N 1 0 303.358 3.005 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCC2CC2)cc1Br ZINC001233142880 1098236526 /nfs/dbraw/zinc/23/65/26/1098236526.db2.gz ZSCBSDVHSBTYCJ-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO COc1cc(Br)c(O)c(Nc2cc(C)[nH+]c(C)c2)c1 ZINC001176055911 1098252544 /nfs/dbraw/zinc/25/25/44/1098252544.db2.gz NLPSQUWSAIFTIW-UHFFFAOYSA-N 1 0 323.190 3.341 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC001233284284 1098274257 /nfs/dbraw/zinc/27/42/57/1098274257.db2.gz OWJCBKMRYCVRAW-UHFFFAOYSA-N 1 0 305.418 3.029 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@](F)(CO)CC2)c1 ZINC001233284568 1098274822 /nfs/dbraw/zinc/27/48/22/1098274822.db2.gz ZOGJZASKTCRTFD-GOSISDBHSA-N 1 0 309.425 3.376 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC001233284293 1098275281 /nfs/dbraw/zinc/27/52/81/1098275281.db2.gz PDKYPBNALVKAHV-HNNXBMFYSA-N 1 0 317.351 3.189 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC001233286530 1098276062 /nfs/dbraw/zinc/27/60/62/1098276062.db2.gz XVMCTRAYBXTMPV-KRWDZBQOSA-N 1 0 302.462 3.360 20 10 DGCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286917 1098276374 /nfs/dbraw/zinc/27/63/74/1098276374.db2.gz ONXOMWFAAHBUAU-MRXNPFEDSA-N 1 0 318.461 3.180 20 10 DGCDRO CN1C[C@@H]2CCC[N@H+](Cc3cc(C(C)(C)C)ccc3O)[C@@H]2C1 ZINC001233286202 1098276790 /nfs/dbraw/zinc/27/67/90/1098276790.db2.gz JPVIWNCRZVMVBW-WMLDXEAASA-N 1 0 302.462 3.216 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c1O ZINC001233287739 1098277531 /nfs/dbraw/zinc/27/75/31/1098277531.db2.gz GAVBDKBNMNKFAO-IAQYHMDHSA-N 1 0 311.809 3.055 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233287491 1098278298 /nfs/dbraw/zinc/27/82/98/1098278298.db2.gz RYFFIDXVLFDMOD-AWEZNQCLSA-N 1 0 319.445 3.465 20 10 DGCDRO Oc1c(CN2CCC([NH+]3CCC3)CC2)cccc1C(F)(F)F ZINC001233419529 1098325140 /nfs/dbraw/zinc/32/51/40/1098325140.db2.gz BGYQYZUCSPFCJA-UHFFFAOYSA-N 1 0 314.351 3.081 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@@H]1O ZINC001233451817 1098337302 /nfs/dbraw/zinc/33/73/02/1098337302.db2.gz AIYVSKAIGCGLJG-GWCFXTLKSA-N 1 0 303.324 3.004 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001233451814 1098337484 /nfs/dbraw/zinc/33/74/84/1098337484.db2.gz AGDOWOJMFYOKQU-AWEZNQCLSA-N 1 0 301.308 3.166 20 10 DGCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233452474 1098338096 /nfs/dbraw/zinc/33/80/96/1098338096.db2.gz YBEMCTJLTWDJOO-MNOVXSKESA-N 1 0 303.324 3.004 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1O ZINC001233485234 1098345161 /nfs/dbraw/zinc/34/51/61/1098345161.db2.gz NTAGJEKNJWVRRB-OAHLLOKOSA-N 1 0 313.397 3.258 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1O ZINC001233487860 1098347135 /nfs/dbraw/zinc/34/71/35/1098347135.db2.gz VCPURTUOXUGLFN-OAHLLOKOSA-N 1 0 317.360 3.150 20 10 DGCDRO C[N@H+](Cc1ccccn1)Cc1cccc(OC(F)(F)F)c1O ZINC001233726795 1098416708 /nfs/dbraw/zinc/41/67/08/1098416708.db2.gz HYNMHJZFXZFIDI-UHFFFAOYSA-N 1 0 312.291 3.318 20 10 DGCDRO Oc1c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cccc1OC(F)(F)F ZINC001233736294 1098419655 /nfs/dbraw/zinc/41/96/55/1098419655.db2.gz GRFGTZFAUFWPNT-DCAQKATOSA-N 1 0 305.271 3.081 20 10 DGCDRO CCO[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233754792 1098422816 /nfs/dbraw/zinc/42/28/16/1098422816.db2.gz LJRWSMHTFPDAPZ-LBPRGKRZSA-N 1 0 319.323 3.292 20 10 DGCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233768043 1098426740 /nfs/dbraw/zinc/42/67/40/1098426740.db2.gz JWJWBGURCQXAFX-GFCCVEGCSA-N 1 0 319.323 3.026 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OC ZINC001177117491 1098473376 /nfs/dbraw/zinc/47/33/76/1098473376.db2.gz WVXQDZWVPQQUBN-SFHVURJKSA-N 1 0 315.413 3.055 20 10 DGCDRO Cc1nc2ccccc2n1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001177132225 1098481016 /nfs/dbraw/zinc/48/10/16/1098481016.db2.gz CNUJTKIAFSLGMW-UHFFFAOYSA-N 1 0 321.424 3.460 20 10 DGCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1C ZINC001177510157 1098544299 /nfs/dbraw/zinc/54/42/99/1098544299.db2.gz AYQDFUBIZMIOGY-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCOC(C)(C)C3)cc2)CC1 ZINC001234661564 1098636758 /nfs/dbraw/zinc/63/67/58/1098636758.db2.gz UXNUISREWUHDDO-SFHVURJKSA-N 1 0 318.461 3.165 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234998801 1098742907 /nfs/dbraw/zinc/74/29/07/1098742907.db2.gz JXZPTPNKVUBZRQ-OAHLLOKOSA-N 1 0 315.244 3.275 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235036796 1098766467 /nfs/dbraw/zinc/76/64/67/1098766467.db2.gz BQVGUBZVEXUJOU-MRXNPFEDSA-N 1 0 312.816 3.293 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCCCC12C[NH2+]C2 ZINC001235106046 1098805617 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CC(C)(C)c1cc(O)c(CN2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1Cl ZINC001235256343 1098927015 /nfs/dbraw/zinc/92/70/15/1098927015.db2.gz SDBGVHYOCSTAPW-WBIUFABUSA-N 1 0 308.853 3.265 20 10 DGCDRO Cc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)n1-c1ccccc1 ZINC001235265265 1098937191 /nfs/dbraw/zinc/93/71/91/1098937191.db2.gz CMCGAWOVMSRYKG-PXNSSMCTSA-N 1 0 309.457 3.278 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CCC[C@H]2[NH2+]C[C@H]21 ZINC001235304730 1098950912 /nfs/dbraw/zinc/95/09/12/1098950912.db2.gz PDCWMIHGLKIURJ-QZTJIDSGSA-N 1 0 312.388 3.135 20 10 DGCDRO CCOc1cc(O)cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001235403129 1099000045 /nfs/dbraw/zinc/00/00/45/1099000045.db2.gz WHPLMHIVUPGIAB-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3[nH]c(=O)oc32)c1 ZINC001179053422 1099001467 /nfs/dbraw/zinc/00/14/67/1099001467.db2.gz LQGSJXXHDGNLQK-SNVBAGLBSA-N 1 0 314.341 3.098 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235676960 1099119791 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Oc1ccc(Cl)cc1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235860233 1099222017 /nfs/dbraw/zinc/22/20/17/1099222017.db2.gz RSZWJJSOSZZIND-MRXNPFEDSA-N 1 0 302.805 3.192 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@@H](F)[C@H]([NH3+])C2)cc1Cl ZINC001235913596 1099255371 /nfs/dbraw/zinc/25/53/71/1099255371.db2.gz UUMKTXHXRMMCSY-ZIAGYGMSSA-N 1 0 314.832 3.214 20 10 DGCDRO CC(C)N(Cc1nc(CO)cs1)Cc1ccc(N(C)C)cc1 ZINC001180076123 1099301966 /nfs/dbraw/zinc/30/19/66/1099301966.db2.gz AXIRJYYHZQJGRL-UHFFFAOYSA-N 1 0 319.474 3.112 20 10 DGCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985534 1099310369 /nfs/dbraw/zinc/31/03/69/1099310369.db2.gz CTICOXQLMXHYDZ-QFBILLFUSA-N 1 0 312.388 3.121 20 10 DGCDRO CCN(Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCC[NH2+]C1 ZINC001236011252 1099335284 /nfs/dbraw/zinc/33/52/84/1099335284.db2.gz WGPNUOLQGFEXMB-HNNXBMFYSA-N 1 0 314.429 3.128 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCc4cc(N)ccc4C3)ccc21 ZINC001236106125 1099394944 /nfs/dbraw/zinc/39/49/44/1099394944.db2.gz 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[O-]c1c(F)cc(Cl)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236602457 1099697031 /nfs/dbraw/zinc/69/70/31/1099697031.db2.gz WCDRNLTZMPTTHH-NSHDSACASA-N 1 0 312.816 3.149 20 10 DGCDRO Oc1ccc(F)c(F)c1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236654361 1099724753 /nfs/dbraw/zinc/72/47/53/1099724753.db2.gz PIDMCSVXABDLNA-ZDUSSCGKSA-N 1 0 310.388 3.167 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](C)C2)c(O)cc1Br ZINC001236749180 1099770385 /nfs/dbraw/zinc/77/03/85/1099770385.db2.gz ZUPIRTZVGMUVAU-SECBINFHSA-N 1 0 300.196 3.005 20 10 DGCDRO CCc1ccc(C[N@H+](CC)CCNC(=O)OC(C)(C)C)c(O)c1 ZINC001236786383 1099782972 /nfs/dbraw/zinc/78/29/72/1099782972.db2.gz AVIWDUYLPSDXCY-UHFFFAOYSA-N 1 0 322.449 3.301 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c(O)c1 ZINC001236786348 1099783021 /nfs/dbraw/zinc/78/30/21/1099783021.db2.gz AUEBUUDKUUZTMZ-LJQANCHMSA-N 1 0 311.425 3.398 20 10 DGCDRO CCc1ccc(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c(O)c1 ZINC001236788565 1099785843 /nfs/dbraw/zinc/78/58/43/1099785843.db2.gz 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Oc1cc2ccccc2cc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001236827885 1099812257 /nfs/dbraw/zinc/81/22/57/1099812257.db2.gz VYMLPTYXLZCIOT-SFHVURJKSA-N 1 0 303.377 3.232 20 10 DGCDRO COCc1noc2c1C[N@H+](Cc1cc3ccccc3cc1O)CC2 ZINC001236832127 1099816776 /nfs/dbraw/zinc/81/67/76/1099816776.db2.gz KRMVSLLTSPKHPY-UHFFFAOYSA-N 1 0 324.380 3.238 20 10 DGCDRO O=c1[nH]ccc2c1CC[N@@H+](Cc1cc3ccccc3cc1O)C2 ZINC001236838151 1099823292 /nfs/dbraw/zinc/82/32/92/1099823292.db2.gz WGRFZKPMZCAFNX-UHFFFAOYSA-N 1 0 306.365 3.204 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)cc1 ZINC001236848679 1099832035 /nfs/dbraw/zinc/83/20/35/1099832035.db2.gz RQYOCJNZQAHKID-SFHVURJKSA-N 1 0 324.424 3.224 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCN[C@H](C(F)(F)F)C2)c1 ZINC001236996072 1099915195 /nfs/dbraw/zinc/91/51/95/1099915195.db2.gz MTIDBFQWOPELFX-AWEZNQCLSA-N 1 0 316.367 3.026 20 10 DGCDRO CC(C)c1ccc(CN2Cc3ccccc3C[C@H]2C[NH3+])c(O)c1 ZINC001237028033 1099934029 /nfs/dbraw/zinc/93/40/29/1099934029.db2.gz 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DGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237120084 1099980415 /nfs/dbraw/zinc/98/04/15/1099980415.db2.gz LVCQJHYRSGYLEO-NSHDSACASA-N 1 0 319.323 3.292 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C[C@H]1CCCCO1 ZINC001237122903 1099981438 /nfs/dbraw/zinc/98/14/38/1099981438.db2.gz MBOQLZLDVWPZMH-LLVKDONJSA-N 1 0 319.323 3.292 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001237124327 1099983825 /nfs/dbraw/zinc/98/38/25/1099983825.db2.gz ZMKBJRJWXCGOGO-JTQLQIEISA-N 1 0 307.287 3.472 20 10 DGCDRO Cc1c(CN2CC(F)(F)CC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001237132044 1099986320 /nfs/dbraw/zinc/98/63/20/1099986320.db2.gz NMCWWVNPYUDZED-CYBMUJFWSA-N 1 0 307.388 3.045 20 10 DGCDRO [NH3+]C[C@H]1CCC(F)(F)CN1Cc1c(O)ccc2ccccc21 ZINC001237132296 1099987414 /nfs/dbraw/zinc/98/74/14/1099987414.db2.gz YFYFJBSPLMSUSW-CYBMUJFWSA-N 1 0 306.356 3.104 20 10 DGCDRO Oc1ccc(C[NH+]2CCC3(Cc4ccccc4N3)CC2)c(O)c1 ZINC001237334133 1100083058 /nfs/dbraw/zinc/08/30/58/1100083058.db2.gz PVGSYZBEXKNQLY-UHFFFAOYSA-N 1 0 310.397 3.101 20 10 DGCDRO CC[N@H+](Cc1cccc(CC(=O)OC)c1)Cc1ccccc1O ZINC001237486834 1100139048 /nfs/dbraw/zinc/13/90/48/1100139048.db2.gz BSGIYIILXQKCIY-UHFFFAOYSA-N 1 0 313.397 3.130 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CC2(CCN2Cc2ccccc2)C1 ZINC001237486665 1100139068 /nfs/dbraw/zinc/13/90/68/1100139068.db2.gz AOUUEPOEDLDYTP-UHFFFAOYSA-N 1 0 308.425 3.161 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001237493598 1100143141 /nfs/dbraw/zinc/14/31/41/1100143141.db2.gz CNEVQHBYAFCCTP-ICSRJNTNSA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c(C)cccc3O)C2)c1 ZINC001237494868 1100145122 /nfs/dbraw/zinc/14/51/22/1100145122.db2.gz MJHYWPCJVGMQFQ-MRXNPFEDSA-N 1 0 312.413 3.447 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H]1O ZINC001237641121 1100199292 /nfs/dbraw/zinc/19/92/92/1100199292.db2.gz MKPLGOSNVBCWTB-BFUOFWGJSA-N 1 0 315.388 3.401 20 10 DGCDRO C[C@H]1COCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237641546 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CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237802797 1100251398 /nfs/dbraw/zinc/25/13/98/1100251398.db2.gz POPMVJGWAXUETA-UHFFFAOYSA-N 1 0 302.821 3.348 20 10 DGCDRO COc1ncc(C2CC2)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001238032601 1100334500 /nfs/dbraw/zinc/33/45/00/1100334500.db2.gz WQXWFXMTKAKLQH-UHFFFAOYSA-N 1 0 310.397 3.232 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC001238062224 1100346016 /nfs/dbraw/zinc/34/60/16/1100346016.db2.gz OAOAWCYMZCFAHU-GFCCVEGCSA-N 1 0 309.381 3.003 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238064022 1100348828 /nfs/dbraw/zinc/34/88/28/1100348828.db2.gz NRTXTTBOWZBICS-UHFFFAOYSA-N 1 0 309.381 3.005 20 10 DGCDRO Cc1cc(F)cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1O ZINC001238064324 1100349025 /nfs/dbraw/zinc/34/90/25/1100349025.db2.gz BEYNVRCCHPYSGU-UHFFFAOYSA-N 1 0 317.360 3.199 20 10 DGCDRO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238066197 1100349054 /nfs/dbraw/zinc/34/90/54/1100349054.db2.gz JJWYUFZVWSITAX-MRXNPFEDSA-N 1 0 316.376 3.196 20 10 DGCDRO Cc1cccc(O[C@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238066220 1100349168 /nfs/dbraw/zinc/34/91/68/1100349168.db2.gz JTFSKXOHHZFANE-INIZCTEOSA-N 1 0 316.376 3.196 20 10 DGCDRO C[N@H+](CCc1ccc2c(c1)OC(F)(F)O2)Cc1ccccc1O ZINC001191681649 1100496786 /nfs/dbraw/zinc/49/67/86/1100496786.db2.gz GZDHJRUPTHBIEL-UHFFFAOYSA-N 1 0 321.323 3.388 20 10 DGCDRO Cn1ccc2ccc(-c3cncc([C@@H]4C[NH+]5CCC4CC5)n3)cc21 ZINC001240574216 1101056244 /nfs/dbraw/zinc/05/62/44/1101056244.db2.gz ZCCHKCNBJZWFGU-QGZVFWFLSA-N 1 0 318.424 3.445 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CCO)C2CCCC2)cc1 ZINC001203831767 1101263735 /nfs/dbraw/zinc/26/37/35/1101263735.db2.gz YFZCNMSAYDJARL-VOFKWLDRSA-N 1 0 302.462 3.297 20 10 DGCDRO Cn1ccc2c1cc[nH+]c2-c1ccc(OC2CCOCC2)nc1 ZINC001241696257 1101641212 /nfs/dbraw/zinc/64/12/12/1101641212.db2.gz BEAZNSKDRNCXCK-UHFFFAOYSA-N 1 0 309.369 3.193 20 10 DGCDRO Cn1ccc2c1cccc2-c1cncc(OCC[NH+]2CCCC2)n1 ZINC001241820542 1101725852 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C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C ZINC001326791099 1103444301 /nfs/dbraw/zinc/44/43/01/1103444301.db2.gz OUYFHPOSZASDDV-CQSZACIVSA-N 1 0 307.457 3.102 20 10 DGCDRO CC[C@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1ccc(C)cc1O ZINC001326872623 1103466711 /nfs/dbraw/zinc/46/67/11/1103466711.db2.gz ANHFMOXYEUAQSB-HNNXBMFYSA-N 1 0 301.390 3.054 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C/C=C\C2CC2)c1O ZINC001327869626 1103749242 /nfs/dbraw/zinc/74/92/42/1103749242.db2.gz YRUVZOKHTNOEOB-IHWYPQMZSA-N 1 0 312.207 3.219 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F ZINC001328688005 1104021370 /nfs/dbraw/zinc/02/13/70/1104021370.db2.gz FYRHLTSROKDMAH-VUCTXSBTSA-N 1 0 322.399 3.078 20 10 DGCDRO O=c1cc(-c2ccc3c[nH+]cn3c2)ccn1Cc1cccc(F)c1 ZINC001245896924 1104293932 /nfs/dbraw/zinc/29/39/32/1104293932.db2.gz JVBNHXYMTWLMIC-UHFFFAOYSA-N 1 0 319.339 3.350 20 10 DGCDRO CC(C)(O)C(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000691393314 1104327793 /nfs/dbraw/zinc/32/77/93/1104327793.db2.gz SMRYAJKPBJRQQD-UHFFFAOYSA-N 1 0 316.239 3.041 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1F ZINC001330090969 1104478070 /nfs/dbraw/zinc/47/80/70/1104478070.db2.gz GHJWNWIUBAREEV-YVEFUNNKSA-N 1 0 310.388 3.032 20 10 DGCDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CCc1ccc(N)cc1 ZINC001246467016 1104550979 /nfs/dbraw/zinc/55/09/79/1104550979.db2.gz RHRZXTNKTNCPKN-QGZVFWFLSA-N 1 0 312.413 3.151 20 10 DGCDRO C[N@@H+]1CCC[C@@]2(CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC001275275319 1104700351 /nfs/dbraw/zinc/70/03/51/1104700351.db2.gz GWFUYIXXHWVXSJ-QGZVFWFLSA-N 1 0 308.853 3.353 20 10 DGCDRO Cc1c2nc(-c3ccc(N4CC[NH2+]CC4)cc3)[nH]c2ccc1F ZINC001247011891 1104776931 /nfs/dbraw/zinc/77/69/31/1104776931.db2.gz XGXPLGFNOPOWRN-UHFFFAOYSA-N 1 0 310.376 3.087 20 10 DGCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(O)c1 ZINC001249208592 1105247416 /nfs/dbraw/zinc/24/74/16/1105247416.db2.gz XPIKPQRQVXYZGB-QGZVFWFLSA-N 1 0 311.381 3.055 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)ccc2O1 ZINC001249251839 1105256182 /nfs/dbraw/zinc/25/61/82/1105256182.db2.gz ALOIJDLBSJRHJV-GJZGRUSLSA-N 1 0 315.413 3.045 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCCCC34COC4)ccc2O1 ZINC001249244881 1105256874 /nfs/dbraw/zinc/25/68/74/1105256874.db2.gz PQNCCVFGQAGAAR-UHFFFAOYSA-N 1 0 315.413 3.331 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCOCC34CCC4)ccc2O1 ZINC001249252659 1105257361 /nfs/dbraw/zinc/25/73/61/1105257361.db2.gz PRIJSJJWAHMVPV-UHFFFAOYSA-N 1 0 315.413 3.331 20 10 DGCDRO CCC[N@H+](CCOC)Cc1cc(C)c(Br)cc1O ZINC001250117415 1105445508 /nfs/dbraw/zinc/44/55/08/1105445508.db2.gz ORVQYBHHVHKBRS-UHFFFAOYSA-N 1 0 316.239 3.322 20 10 DGCDRO COc1cc(C[N@@H+]2CCc3cccc(O)c3C2)cc(F)c1OC ZINC001137509397 1105532886 /nfs/dbraw/zinc/53/28/86/1105532886.db2.gz KCBQUZRSRFHPCG-UHFFFAOYSA-N 1 0 317.360 3.107 20 10 DGCDRO COc1cc(-c2nc3cc(C)ccc3[nH]2)cc(C[NH+](C)C)c1O ZINC001250766779 1105579617 /nfs/dbraw/zinc/57/96/17/1105579617.db2.gz JUCZKJZLILOFDG-UHFFFAOYSA-N 1 0 311.385 3.314 20 10 DGCDRO Cc1cc(F)cc2nc(-c3ccc(N4CC[NH+](C)CC4)cc3)[nH]c21 ZINC001250773545 1105580471 /nfs/dbraw/zinc/58/04/71/1105580471.db2.gz QWYXVXYPBMBNOE-UHFFFAOYSA-N 1 0 324.403 3.429 20 10 DGCDRO Cc1cccc2c1nc(-c1ccc(N3CC[NH+](C)CC3)cc1)n2C ZINC001250773672 1105580832 /nfs/dbraw/zinc/58/08/32/1105580832.db2.gz VSKBSYXGDOEWCA-UHFFFAOYSA-N 1 0 320.440 3.301 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)c1ccccc1 ZINC001251989283 1105719856 /nfs/dbraw/zinc/71/98/56/1105719856.db2.gz UHEOFUPNVLJOAD-HXUWFJFHSA-N 1 0 310.441 3.452 20 10 DGCDRO OCCC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC001252309335 1105766064 /nfs/dbraw/zinc/76/60/64/1105766064.db2.gz MISNORURAXXLND-UHFFFAOYSA-N 1 0 302.462 3.319 20 10 DGCDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1O ZINC001254568282 1106105691 /nfs/dbraw/zinc/10/56/91/1106105691.db2.gz YTBAZWMRIGQXCH-CYBMUJFWSA-N 1 0 300.358 3.363 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001255372789 1106234647 /nfs/dbraw/zinc/23/46/47/1106234647.db2.gz ANTVHMKXSOIFKF-AEFFLSMTSA-N 1 0 318.461 3.306 20 10 DGCDRO Oc1ccc(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1O ZINC001255690086 1106295653 /nfs/dbraw/zinc/29/56/53/1106295653.db2.gz PVISJCOKDLZDFB-NEPJUHHUSA-N 1 0 303.324 3.351 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C1CCN(C)CC1 ZINC001256202037 1106389770 /nfs/dbraw/zinc/38/97/70/1106389770.db2.gz SGONVPUONVMJMF-GOSISDBHSA-N 1 0 302.462 3.316 20 10 DGCDRO CCOC1CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001256445513 1106424767 /nfs/dbraw/zinc/42/47/67/1106424767.db2.gz QRSDGAMAYZMERZ-UHFFFAOYSA-N 1 0 305.418 3.194 20 10 DGCDRO C[N@@H+]1CCC[C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256961163 1106515910 /nfs/dbraw/zinc/51/59/10/1106515910.db2.gz LZDFPJRKWWNTFN-HNNXBMFYSA-N 1 0 308.385 3.337 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001257042369 1106528316 /nfs/dbraw/zinc/52/83/16/1106528316.db2.gz NYZYNPAUKCJUKA-NVXWUHKLSA-N 1 0 313.397 3.367 20 10 DGCDRO COc1ccc(N2CC[NH+](C3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC001257106493 1106540266 /nfs/dbraw/zinc/54/02/66/1106540266.db2.gz QSUNVVOBTSLWPU-HOTGVXAUSA-N 1 0 318.461 3.082 20 10 DGCDRO Cc1cccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1O ZINC001258137594 1106680246 /nfs/dbraw/zinc/68/02/46/1106680246.db2.gz HUQGKZXQWCSSSZ-UHFFFAOYSA-N 1 0 324.468 3.497 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H](C)Cc3ccco3)CC2)cc1 ZINC001258197354 1106693970 /nfs/dbraw/zinc/69/39/70/1106693970.db2.gz GDXSGVNQTMGETH-INIZCTEOSA-N 1 0 314.429 3.432 20 10 DGCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001258393357 1106729605 /nfs/dbraw/zinc/72/96/05/1106729605.db2.gz RBIJWKCJSFEXAJ-ZDUSSCGKSA-N 1 0 301.386 3.217 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCC[C@@H](C)C2)c(O)c1C ZINC001320132235 1106890707 /nfs/dbraw/zinc/89/07/07/1106890707.db2.gz IYIXZYATUNYZMZ-CJNGLKHVSA-N 1 0 318.461 3.308 20 10 DGCDRO CNC(=O)C1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001320249376 1106938669 /nfs/dbraw/zinc/93/86/69/1106938669.db2.gz YJCUZDKUWFVNMD-PPWQZUPISA-N 1 0 316.445 3.143 20 10 DGCDRO C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258735762 1106940274 /nfs/dbraw/zinc/94/02/74/1106940274.db2.gz BFVCUMMQTBDLBH-DIFFPNOSSA-N 1 0 321.804 3.005 20 10 DGCDRO CC/C(C)=C/C(=O)N(CC)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001320724696 1107118542 /nfs/dbraw/zinc/11/85/42/1107118542.db2.gz NWRCTNMXSHIAQA-NTCAYCPXSA-N 1 0 318.461 3.298 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320765638 1107130152 /nfs/dbraw/zinc/13/01/52/1107130152.db2.gz YBBVYWPDYJLGOH-SFHVURJKSA-N 1 0 316.445 3.204 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](CO)CC(F)(F)F ZINC001321037648 1107231121 /nfs/dbraw/zinc/23/11/21/1107231121.db2.gz PVOARIQGWPCXDV-MXWKQRLJSA-N 1 0 303.324 3.152 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001321297240 1107316155 /nfs/dbraw/zinc/31/61/55/1107316155.db2.gz YTFGYKPHIBZRCN-HXUWFJFHSA-N 1 0 310.441 3.418 20 10 DGCDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001261185051 1107355872 /nfs/dbraw/zinc/35/58/72/1107355872.db2.gz DEANCDQOACGICH-IBGZPJMESA-N 1 0 302.462 3.271 20 10 DGCDRO Oc1cccc2c1C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001321965643 1107473459 /nfs/dbraw/zinc/47/34/59/1107473459.db2.gz JWLNQGTXPOLOHR-QGZVFWFLSA-N 1 0 308.425 3.249 20 10 DGCDRO CC[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323290837 1107920366 /nfs/dbraw/zinc/92/03/66/1107920366.db2.gz KFMRPYCOCLONBD-INIZCTEOSA-N 1 0 319.468 3.200 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCNC(=O)C(C)C ZINC001323828649 1108097949 /nfs/dbraw/zinc/09/79/49/1108097949.db2.gz CCEXVOFHXGCOSZ-KGLIPLIRSA-N 1 0 304.434 3.001 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCNC(=O)C1CCC1 ZINC001323830800 1108098452 /nfs/dbraw/zinc/09/84/52/1108098452.db2.gz TZGKOPOJOZXLRX-ZFWWWQNUSA-N 1 0 316.445 3.145 20 10 DGCDRO OC[C@@H]([C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1)C1CC1 ZINC001324376640 1108270248 /nfs/dbraw/zinc/27/02/48/1108270248.db2.gz CHJRCSAMOOVLPC-UXHICEINSA-N 1 0 314.473 3.174 20 10 DGCDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2c(O)cccc2OC)cc1 ZINC001319716452 1108608051 /nfs/dbraw/zinc/60/80/51/1108608051.db2.gz PUORDOOPUJZUOR-AWEZNQCLSA-N 1 0 315.413 3.472 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCOc1ncccc1F ZINC001325357713 1108630704 /nfs/dbraw/zinc/63/07/04/1108630704.db2.gz WMHNUIKLDNEYDF-JSGCOSHPSA-N 1 0 316.376 3.452 20 10 DGCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001319831335 1108655303 /nfs/dbraw/zinc/65/53/03/1108655303.db2.gz VDFKPJOFJJTFEQ-MAUKXSAKSA-N 1 0 314.429 3.482 20 10 DGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001319831334 1108655902 /nfs/dbraw/zinc/65/59/02/1108655902.db2.gz VDFKPJOFJJTFEQ-CRAIPNDOSA-N 1 0 314.429 3.482 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC001319963777 1108717517 /nfs/dbraw/zinc/71/75/17/1108717517.db2.gz PHSZJQMHUWRMAZ-MSOLQXFVSA-N 1 0 300.446 3.145 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1([S@](C)=O)CCC1 ZINC000393699528 1109049618 /nfs/dbraw/zinc/04/96/18/1109049618.db2.gz YRYCNNUFIHIOQP-ZNLKAECVSA-N 1 0 307.459 3.140 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1([S@](C)=O)CCC1 ZINC000393699512 1109049648 /nfs/dbraw/zinc/04/96/48/1109049648.db2.gz YRYCNNUFIHIOQP-BHVCSQLQSA-N 1 0 307.459 3.140 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2=CCCC2)cc1C ZINC001282114644 1109452376 /nfs/dbraw/zinc/45/23/76/1109452376.db2.gz UNPMZNCXYKYJFS-HUUCEWRRSA-N 1 0 316.445 3.097 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)C2CC2)C(C)(C)C)cc1C ZINC001284563029 1109813221 /nfs/dbraw/zinc/81/32/21/1109813221.db2.gz WOKSAUXRSJITLU-QGZVFWFLSA-N 1 0 318.461 3.034 20 10 DGCDRO CC(C)[C@@H](CNCc1ccc2c(c1)CCCO2)[NH+]1CCCC1 ZINC001308193229 1111394381 /nfs/dbraw/zinc/39/43/81/1111394381.db2.gz CRLZMWYSURQNDP-GOSISDBHSA-N 1 0 302.462 3.222 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Oc1ccccc1 ZINC001308272713 1111408433 /nfs/dbraw/zinc/40/84/33/1111408433.db2.gz HQTUODIGMIBVES-CQSZACIVSA-N 1 0 302.393 3.449 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC001308280909 1111409777 /nfs/dbraw/zinc/40/97/77/1111409777.db2.gz AJGHTVVXQPFCBF-RCCFBDPRSA-N 1 0 302.462 3.436 20 10 DGCDRO CCCC[C@H](COC)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001308278062 1111410005 /nfs/dbraw/zinc/41/00/05/1111410005.db2.gz XKCVUSVFNDLHKW-CYBMUJFWSA-N 1 0 300.393 3.326 20 10 DGCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001308295339 1111412867 /nfs/dbraw/zinc/41/28/67/1111412867.db2.gz JTWOFRNIJMZIDV-HUUCEWRRSA-N 1 0 324.465 3.036 20 10 DGCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001308295340 1111412971 /nfs/dbraw/zinc/41/29/71/1111412971.db2.gz JTWOFRNIJMZIDV-LSDHHAIUSA-N 1 0 324.465 3.036 20 10 DGCDRO CCOC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCC1 ZINC001308416316 1111427446 /nfs/dbraw/zinc/42/74/46/1111427446.db2.gz JYFZCYLUKFOMNO-UHFFFAOYSA-N 1 0 312.404 3.470 20 10 DGCDRO Oc1cc(F)c(CC[NH2+]Cc2ccc3c(c2)CCCO3)c(F)c1 ZINC001308532072 1111438888 /nfs/dbraw/zinc/43/88/88/1111438888.db2.gz FCESDLAJPSDECA-UHFFFAOYSA-N 1 0 319.351 3.328 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2O)cc1O ZINC001308610115 1111451280 /nfs/dbraw/zinc/45/12/80/1111451280.db2.gz DKCIXAKHZULTPR-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO CCCC[N@H+](CCOC)Cc1ccc(Br)cc1O ZINC001308629226 1111452838 /nfs/dbraw/zinc/45/28/38/1111452838.db2.gz NIWWGDLOOCYTGI-UHFFFAOYSA-N 1 0 316.239 3.403 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H](Cc2ccccc2)OC)c(O)c1 ZINC001308776561 1111474175 /nfs/dbraw/zinc/47/41/75/1111474175.db2.gz PJXUHUDCOWGQJA-QGZVFWFLSA-N 1 0 315.413 3.057 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC3CCC2CC3)c(O)c1OC ZINC001308834661 1111481890 /nfs/dbraw/zinc/48/18/90/1111481890.db2.gz SLUVOPUVJSJXAN-PIMMBPRGSA-N 1 0 305.418 3.325 20 10 DGCDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC001308840419 1111482414 /nfs/dbraw/zinc/48/24/14/1111482414.db2.gz GQRVVGGQHOJSTF-HNNXBMFYSA-N 1 0 316.788 3.089 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCc4ccccc4C3)C2)cc1 ZINC001308859822 1111485723 /nfs/dbraw/zinc/48/57/23/1111485723.db2.gz NLQSLJBYWSEQDM-OALUTQOASA-N 1 0 322.452 3.421 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)CCc1ccccc1 ZINC001308942193 1111497282 /nfs/dbraw/zinc/49/72/82/1111497282.db2.gz FNSYAOUGVXIDSS-LJQANCHMSA-N 1 0 312.457 3.144 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC001621508916 1193851617 /nfs/dbraw/zinc/85/16/17/1193851617.db2.gz BNKVJEYSUZOLSC-UHFFFAOYSA-N 1 0 319.714 3.051 20 10 DGCDRO COc1cccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1O ZINC000092437002 185318028 /nfs/dbraw/zinc/31/80/28/185318028.db2.gz WXOBNPJGPHWOCB-MRXNPFEDSA-N 1 0 317.385 3.175 20 10 DGCDRO COc1cccc([C@H](C[NH2+]Cc2cc(C)ccc2O)N(C)C)c1 ZINC000103854798 432012393 /nfs/dbraw/zinc/01/23/93/432012393.db2.gz GHQLHWONVAWIMN-SFHVURJKSA-N 1 0 314.429 3.102 20 10 DGCDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273606648 535183110 /nfs/dbraw/zinc/18/31/10/535183110.db2.gz UFXLIVDFNKWJNJ-ZWNOBZJWSA-N 1 0 316.239 3.212 20 10 DGCDRO Cc1noc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000179755860 432070225 /nfs/dbraw/zinc/07/02/25/432070225.db2.gz HYEIOFBPYDPRKW-LBPRGKRZSA-N 1 0 307.781 3.117 20 10 DGCDRO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1O ZINC000179838402 432071868 /nfs/dbraw/zinc/07/18/68/432071868.db2.gz BAOJNDVTJCWSCL-KRWDZBQOSA-N 1 0 301.386 3.475 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCC(C(=O)OC)CC1 ZINC000278355370 283308292 /nfs/dbraw/zinc/30/82/92/283308292.db2.gz JBBWPIOSRQCQNL-UHFFFAOYSA-N 1 0 304.434 3.094 20 10 DGCDRO COc1cc(OC)c(OC)cc1C[N@H+](C)Cc1ccccc1O ZINC000091974425 193134506 /nfs/dbraw/zinc/13/45/06/193134506.db2.gz LSXSBPDMPTZKOU-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000268864337 432144992 /nfs/dbraw/zinc/14/49/92/432144992.db2.gz SZEMEHCQXDLYGB-SWLSCSKDSA-N 1 0 316.367 3.251 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)o2)cc1 ZINC000268997166 432150059 /nfs/dbraw/zinc/15/00/59/432150059.db2.gz OBDBBVZWHVLOGP-PBHICJAKSA-N 1 0 302.418 3.428 20 10 DGCDRO Cc1nc2ccccc2n1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000043288649 183351372 /nfs/dbraw/zinc/35/13/72/183351372.db2.gz LHQAKGOFMYPPAJ-UHFFFAOYSA-N 1 0 307.397 3.069 20 10 DGCDRO Cc1cc(C(=O)NCC[C@H](C)[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000178689324 291753941 /nfs/dbraw/zinc/75/39/41/291753941.db2.gz OOBWCBXFEQQWBB-NSHDSACASA-N 1 0 319.836 3.215 20 10 DGCDRO COc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1OC ZINC000176980278 533499448 /nfs/dbraw/zinc/49/94/48/533499448.db2.gz NBDPMYIIWRVZSX-LBPRGKRZSA-N 1 0 319.376 3.442 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccccc1O ZINC000179884741 533541779 /nfs/dbraw/zinc/54/17/79/533541779.db2.gz LWFACQQGHGSHBN-PBHICJAKSA-N 1 0 310.397 3.238 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000179877870 533542723 /nfs/dbraw/zinc/54/27/23/533542723.db2.gz ZKLHYMDQEOGXBY-QAPCUYQASA-N 1 0 324.424 3.234 20 10 DGCDRO COc1c(O)cccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000272253667 130013254 /nfs/dbraw/zinc/01/32/54/130013254.db2.gz IVGJSCKXXLCLHL-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c(O)c1C ZINC000273298329 130104933 /nfs/dbraw/zinc/10/49/33/130104933.db2.gz APQAZJLOEKFZLY-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO C[C@H]([NH2+]Cc1ccn(C)c1)c1cc(Br)ccc1O ZINC000273370067 130112037 /nfs/dbraw/zinc/11/20/37/130112037.db2.gz CGFGKKUGHZIVLL-JTQLQIEISA-N 1 0 309.207 3.344 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c(O)c1C ZINC000273467878 130125260 /nfs/dbraw/zinc/12/52/60/130125260.db2.gz FCGUOKZOLNZVSO-PBHICJAKSA-N 1 0 308.491 3.097 20 10 DGCDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)cn1 ZINC000273477732 130126315 /nfs/dbraw/zinc/12/63/15/130126315.db2.gz LCNYURDVYAIAFC-JTQLQIEISA-N 1 0 324.222 3.222 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000273490327 130127656 /nfs/dbraw/zinc/12/76/56/130127656.db2.gz OBSNIAGUIQUWLM-IUUKEHGRSA-N 1 0 319.376 3.313 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c1 ZINC000273532163 130133705 /nfs/dbraw/zinc/13/37/05/130133705.db2.gz WRCNNJVJHYBCMN-UONOGXRCSA-N 1 0 307.434 3.240 20 10 DGCDRO Cc1nccn1CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273559468 130137347 /nfs/dbraw/zinc/13/73/47/130137347.db2.gz HSXHJDZJWRICOC-JTQLQIEISA-N 1 0 324.222 3.010 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c(O)c1 ZINC000273624136 130146679 /nfs/dbraw/zinc/14/66/79/130146679.db2.gz ZXMYCHGFQSLCKK-AWEZNQCLSA-N 1 0 324.424 3.444 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)[C@]12CCCO2 ZINC000274146196 130210902 /nfs/dbraw/zinc/21/09/02/130210902.db2.gz DSXYHJBVZXATLG-BVPBIZIASA-N 1 0 305.418 3.078 20 10 DGCDRO COC(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000275334227 130305727 /nfs/dbraw/zinc/30/57/27/130305727.db2.gz VZYNIGODRPXKLG-UHFFFAOYSA-N 1 0 311.381 3.102 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)CCC1 ZINC000277384605 130607078 /nfs/dbraw/zinc/60/70/78/130607078.db2.gz XUEZBCLSNJDFSI-KRWDZBQOSA-N 1 0 317.477 3.100 20 10 DGCDRO Cn1nccc1CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000284179824 131057098 /nfs/dbraw/zinc/05/70/98/131057098.db2.gz YFRCEMIVEZYHKU-UHFFFAOYSA-N 1 0 312.461 3.085 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)c(O)c1 ZINC000284879843 131118675 /nfs/dbraw/zinc/11/86/75/131118675.db2.gz BJMAGUFMTAHZLH-OAHLLOKOSA-N 1 0 304.434 3.062 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000285021606 131132087 /nfs/dbraw/zinc/13/20/87/131132087.db2.gz KAEVDTDHNOWZMU-WMZOPIPTSA-N 1 0 305.418 3.324 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285724454 131196363 /nfs/dbraw/zinc/19/63/63/131196363.db2.gz QIDGRCZPAVYUMX-RKDXNWHRSA-N 1 0 323.299 3.385 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c(O)c1C ZINC000285843422 131205394 /nfs/dbraw/zinc/20/53/94/131205394.db2.gz YPGFTKMSHBASOD-JCKWVBRZSA-N 1 0 318.461 3.353 20 10 DGCDRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc2ccccc2c1O ZINC000287481137 131282643 /nfs/dbraw/zinc/28/26/43/131282643.db2.gz MUQZGYKGJUBKHI-AWEZNQCLSA-N 1 0 315.413 3.128 20 10 DGCDRO Cc1cnn(C)c1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000289150583 131362268 /nfs/dbraw/zinc/36/22/68/131362268.db2.gz QEIVVDOSCRZZFQ-UHFFFAOYSA-N 1 0 312.461 3.351 20 10 DGCDRO COCCCOc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000289346044 131375865 /nfs/dbraw/zinc/37/58/65/131375865.db2.gz IMQFSQNSVXYPOX-UHFFFAOYSA-N 1 0 319.376 3.236 20 10 DGCDRO CCC[N@H+](Cc1cnc([C@H](C)O)s1)Cc1ccccc1O ZINC000289368184 131379541 /nfs/dbraw/zinc/37/95/41/131379541.db2.gz OTVSZNRGYIQJPH-LBPRGKRZSA-N 1 0 306.431 3.314 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)c(O)c1 ZINC000289406913 131383707 /nfs/dbraw/zinc/38/37/07/131383707.db2.gz HFRCQZXUJWWCFL-GOSISDBHSA-N 1 0 315.413 3.394 20 10 DGCDRO COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297794785 132034776 /nfs/dbraw/zinc/03/47/76/132034776.db2.gz QBWDNFVCKAGABT-HIFRSBDPSA-N 1 0 313.397 3.445 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1 ZINC000093442739 400246467 /nfs/dbraw/zinc/24/64/67/400246467.db2.gz PMRONMCRSULKMX-SFHVURJKSA-N 1 0 315.413 3.346 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000092437208 292164664 /nfs/dbraw/zinc/16/46/64/292164664.db2.gz BVURDFKYJLIWAI-QGZVFWFLSA-N 1 0 301.386 3.475 20 10 DGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])OC ZINC000381108993 685154489 /nfs/dbraw/zinc/15/44/89/685154489.db2.gz BUAICGQWJJMSQK-ZWNOBZJWSA-N 1 0 316.239 3.305 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(NC(N)=O)cc1 ZINC000079001173 287040741 /nfs/dbraw/zinc/04/07/41/287040741.db2.gz INHJPUHZPRWLEJ-CYBMUJFWSA-N 1 0 312.417 3.094 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000269078458 432153829 /nfs/dbraw/zinc/15/38/29/432153829.db2.gz YWKVLLFEAZSKHO-DLBZAZTESA-N 1 0 302.418 3.428 20 10 DGCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)ccc2O)o1 ZINC000137072833 432170623 /nfs/dbraw/zinc/17/06/23/432170623.db2.gz STWWLMMIXFCRSA-INIZCTEOSA-N 1 0 317.385 3.477 20 10 DGCDRO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)Cc1ccccc1O ZINC000269605818 432186985 /nfs/dbraw/zinc/18/69/85/432186985.db2.gz CFABGYFIBSZMSU-CQSZACIVSA-N 1 0 304.434 3.004 20 10 DGCDRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151033116 432213473 /nfs/dbraw/zinc/21/34/73/432213473.db2.gz GBHMJMCDIFIPHM-QWHCGFSZSA-N 1 0 312.454 3.064 20 10 DGCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)N(C)C)Cc1ccccc1O ZINC000176679241 228318093 /nfs/dbraw/zinc/31/80/93/228318093.db2.gz RTJPLXNPYKCZJX-OAHLLOKOSA-N 1 0 312.413 3.044 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(F)ccc1O ZINC000176985510 228322535 /nfs/dbraw/zinc/32/25/35/228322535.db2.gz UKYKRGHVAJBDEW-QWRGUYRKSA-N 1 0 320.330 3.066 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1O ZINC000179623513 228352982 /nfs/dbraw/zinc/35/29/82/228352982.db2.gz RJOSOQZTFWJVTL-MRXNPFEDSA-N 1 0 322.412 3.123 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccc(C)o1 ZINC000185630368 228395490 /nfs/dbraw/zinc/39/54/90/228395490.db2.gz BDKYTQICKQTWOK-WFASDCNBSA-N 1 0 305.374 3.341 20 10 DGCDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000296236007 228869335 /nfs/dbraw/zinc/86/93/35/228869335.db2.gz CGSSYTUOFFSJGO-MNOVXSKESA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1 ZINC000151547242 432255743 /nfs/dbraw/zinc/25/57/43/432255743.db2.gz KENFHPQFNBLACR-CQSZACIVSA-N 1 0 320.452 3.455 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000281575803 274080274 /nfs/dbraw/zinc/08/02/74/274080274.db2.gz CWESIHPTQDEOSA-HZMBPMFUSA-N 1 0 311.809 3.248 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000174536585 276884071 /nfs/dbraw/zinc/88/40/71/276884071.db2.gz SBZWRSJTBCZDBE-XYPHTWIQSA-N 1 0 306.425 3.185 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000279772531 278921578 /nfs/dbraw/zinc/92/15/78/278921578.db2.gz AKKOPAVPISRSKU-YPMHNXCESA-N 1 0 316.367 3.429 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c1O ZINC000074334541 431414264 /nfs/dbraw/zinc/41/42/64/431414264.db2.gz CRLPXBLWUJNVAY-KRWDZBQOSA-N 1 0 314.429 3.183 20 10 DGCDRO COc1cccc(C[NH2+]CCCN(C)Cc2ccccc2)c1O ZINC000074314569 431411929 /nfs/dbraw/zinc/41/19/29/431411929.db2.gz VEMUDSGXRFEUDV-UHFFFAOYSA-N 1 0 314.429 3.013 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccccc2OC)c1O ZINC000076274316 431537778 /nfs/dbraw/zinc/53/77/78/431537778.db2.gz PBZPHRNWASTZJR-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO COCCCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000122705697 431842551 /nfs/dbraw/zinc/84/25/51/431842551.db2.gz OGDOEPZDYHGLRQ-UHFFFAOYSA-N 1 0 306.450 3.070 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](C)N(C)C)c1cc(Br)ccc1O ZINC000038088593 431854967 /nfs/dbraw/zinc/85/49/67/431854967.db2.gz PITVOJDKQATGSC-MFKMUULPSA-N 1 0 315.255 3.146 20 10 DGCDRO COc1cccc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c1O ZINC000093593470 431915996 /nfs/dbraw/zinc/91/59/96/431915996.db2.gz CXBXINZTFHAWSR-CQSZACIVSA-N 1 0 313.397 3.399 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1O ZINC000093704393 431916835 /nfs/dbraw/zinc/91/68/35/431916835.db2.gz DBRLVVYAKIMQRD-KRWDZBQOSA-N 1 0 312.413 3.477 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000093704907 431917813 /nfs/dbraw/zinc/91/78/13/431917813.db2.gz KUPDBZOPZHRSMU-UHFFFAOYSA-N 1 0 302.462 3.391 20 10 DGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000101905975 431990243 /nfs/dbraw/zinc/99/02/43/431990243.db2.gz GQHCNWKIOYNRRB-MRXNPFEDSA-N 1 0 318.461 3.137 20 10 DGCDRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183568964 432303375 /nfs/dbraw/zinc/30/33/75/432303375.db2.gz SRWVAQSFTSHIFW-GUYCJALGSA-N 1 0 301.386 3.175 20 10 DGCDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183569016 432303985 /nfs/dbraw/zinc/30/39/85/432303985.db2.gz SRWVAQSFTSHIFW-CXAGYDPISA-N 1 0 301.386 3.175 20 10 DGCDRO CC(C)[NH+]1CCC(N(C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271038554 432320211 /nfs/dbraw/zinc/32/02/11/432320211.db2.gz LKJRAXYDYHZEAM-UHFFFAOYSA-N 1 0 307.457 3.196 20 10 DGCDRO C[N@H+](CCc1ccncc1)Cc1cc(Br)ccc1O ZINC000183760099 432323793 /nfs/dbraw/zinc/32/37/93/432323793.db2.gz YCLHWOWORDAVAR-UHFFFAOYSA-N 1 0 321.218 3.224 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2cccc(C)c2)cc1OC ZINC000271075401 432327280 /nfs/dbraw/zinc/32/72/80/432327280.db2.gz GSAWVSBGBZJOAS-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CCCCCC(=O)NC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000271145008 432336645 /nfs/dbraw/zinc/33/66/45/432336645.db2.gz CCFICPSHYJCRLB-UHFFFAOYSA-N 1 0 318.461 3.362 20 10 DGCDRO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000152756713 432354655 /nfs/dbraw/zinc/35/46/55/432354655.db2.gz DIGVFHRHOHOXMK-OAHLLOKOSA-N 1 0 312.461 3.179 20 10 DGCDRO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000184292329 432376775 /nfs/dbraw/zinc/37/67/75/432376775.db2.gz WSQMBPDCSKALRN-GXZWQRSESA-N 1 0 308.491 3.095 20 10 DGCDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000184305504 432378872 /nfs/dbraw/zinc/37/88/72/432378872.db2.gz XEGFMPQYYNKISI-ZMPRRUGASA-N 1 0 322.518 3.485 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000174536611 432355934 /nfs/dbraw/zinc/35/59/34/432355934.db2.gz SBZWRSJTBCZDBE-XKQJLSEDSA-N 1 0 306.425 3.185 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000271302098 432371701 /nfs/dbraw/zinc/37/17/01/432371701.db2.gz UMKXDXHEYUTGEC-DOTOQJQBSA-N 1 0 301.386 3.382 20 10 DGCDRO CC[C@@H]([NH2+]CCCCCO)c1cc(Br)ccc1O ZINC000192929077 432429971 /nfs/dbraw/zinc/42/99/71/432429971.db2.gz ISORXWGFJYEMJO-CYBMUJFWSA-N 1 0 316.239 3.358 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000271952787 432431215 /nfs/dbraw/zinc/43/12/15/432431215.db2.gz FATGXXDIXAAZMG-RDJZCZTQSA-N 1 0 307.434 3.474 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1cc(F)ccc1O)c1ccccc1Cl ZINC000184960348 432449513 /nfs/dbraw/zinc/44/95/13/432449513.db2.gz XZOXHBMAIAWVOX-INIZCTEOSA-N 1 0 309.768 3.182 20 10 DGCDRO CCSCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000271643152 432423063 /nfs/dbraw/zinc/42/30/63/432423063.db2.gz BNPZYSCRSGGXHU-HNNXBMFYSA-N 1 0 308.491 3.317 20 10 DGCDRO COc1cccc([C@H](C[NH2+][C@H](C)c2ccccc2O)N(C)C)c1 ZINC000192865305 432424612 /nfs/dbraw/zinc/42/46/12/432424612.db2.gz WWAOJVLAYLKEOP-KDOFPFPSSA-N 1 0 314.429 3.354 20 10 DGCDRO Cc1cccc(CNc2ccccc2CN2CCOCC2)c1O ZINC000271769503 432424731 /nfs/dbraw/zinc/42/47/31/432424731.db2.gz CKQXOYWMGMJYAV-UHFFFAOYSA-N 1 0 312.413 3.145 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1OC ZINC000271805042 432424799 /nfs/dbraw/zinc/42/47/99/432424799.db2.gz MCSBYNLZEJUWHD-AWEZNQCLSA-N 1 0 302.374 3.075 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000271826993 432427320 /nfs/dbraw/zinc/42/73/20/432427320.db2.gz OBCFBGVAXAQNGA-OAHLLOKOSA-N 1 0 313.401 3.341 20 10 DGCDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000193496432 432477948 /nfs/dbraw/zinc/47/79/48/432477948.db2.gz KHCFRTJZVPRWTF-DLBZAZTESA-N 1 0 316.445 3.108 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185418888 432498667 /nfs/dbraw/zinc/49/86/67/432498667.db2.gz BQQCPPQKMLJQLE-FZKQIMNGSA-N 1 0 301.386 3.093 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000185442663 432500514 /nfs/dbraw/zinc/50/05/14/432500514.db2.gz YSYQAWHYVZFTNH-KBPBESRZSA-N 1 0 320.433 3.361 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442322 432501291 /nfs/dbraw/zinc/50/12/91/432501291.db2.gz CQFMXTSAMCDACV-KGLIPLIRSA-N 1 0 320.433 3.361 20 10 DGCDRO COCc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000193893706 432507089 /nfs/dbraw/zinc/50/70/89/432507089.db2.gz DFIWVKCEVGOTPB-ZDUSSCGKSA-N 1 0 301.386 3.398 20 10 DGCDRO C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185520693 432507516 /nfs/dbraw/zinc/50/75/16/432507516.db2.gz CEUCTEXSVRSCHD-AXFHLTTASA-N 1 0 316.239 3.212 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1 ZINC000185046112 432460917 /nfs/dbraw/zinc/46/09/17/432460917.db2.gz SVABRTOOKGPXJV-ZDUSSCGKSA-N 1 0 316.401 3.434 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Cl)ccc1O ZINC000185061808 432462218 /nfs/dbraw/zinc/46/22/18/432462218.db2.gz SLSKJQIGPAGGEL-LBPRGKRZSA-N 1 0 310.825 3.099 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(F)ccc1O ZINC000185091323 432465250 /nfs/dbraw/zinc/46/52/50/432465250.db2.gz UWXOHZJSVMPCAQ-LBPRGKRZSA-N 1 0 308.397 3.021 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(O)c1 ZINC000186136672 432561520 /nfs/dbraw/zinc/56/15/20/432561520.db2.gz YHTOZPGJOFFGBG-JJRVBVJISA-N 1 0 307.459 3.406 20 10 DGCDRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000185657327 432520691 /nfs/dbraw/zinc/52/06/91/432520691.db2.gz UWXNLBUGRIUJOJ-FQSKDFRHSA-N 1 0 309.475 3.431 20 10 DGCDRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000185657775 432521112 /nfs/dbraw/zinc/52/11/12/432521112.db2.gz FJASGGPQGYOTMG-FQSKDFRHSA-N 1 0 309.475 3.431 20 10 DGCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1O ZINC000185674285 432522083 /nfs/dbraw/zinc/52/20/83/432522083.db2.gz VDCSXADDZVQGKQ-POJUEXTFSA-N 1 0 303.789 3.355 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000154914942 432528033 /nfs/dbraw/zinc/52/80/33/432528033.db2.gz SWBDFSBNGXYNSP-OAHLLOKOSA-N 1 0 322.412 3.049 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000154914824 432529004 /nfs/dbraw/zinc/52/90/04/432529004.db2.gz SWBDFSBNGXYNSP-HNNXBMFYSA-N 1 0 322.412 3.049 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cc(F)ccc1O ZINC000186166135 432564594 /nfs/dbraw/zinc/56/45/94/432564594.db2.gz FLUYDYBYOUISHH-SGTLLEGYSA-N 1 0 301.361 3.016 20 10 DGCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000185788170 432533824 /nfs/dbraw/zinc/53/38/24/432533824.db2.gz DEWQJRMIIKIHIG-ZFWWWQNUSA-N 1 0 312.413 3.207 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1O ZINC000155070951 432537579 /nfs/dbraw/zinc/53/75/79/432537579.db2.gz IMCMJIVGRPOARP-QGZVFWFLSA-N 1 0 305.805 3.351 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000186176888 432564867 /nfs/dbraw/zinc/56/48/67/432564867.db2.gz SZFKXPOGRXBALZ-LBPRGKRZSA-N 1 0 317.433 3.110 20 10 DGCDRO CC(C)OCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186642380 432616116 /nfs/dbraw/zinc/61/61/16/432616116.db2.gz FDIHNYPHNXCBSO-JTQLQIEISA-N 1 0 302.212 3.230 20 10 DGCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000186190291 432566426 /nfs/dbraw/zinc/56/64/26/432566426.db2.gz WNSXCOUTFNGOIM-GTNSWQLSSA-N 1 0 307.340 3.229 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186177065 432566552 /nfs/dbraw/zinc/56/65/52/432566552.db2.gz OPNCBCOHCJCRHS-ZDUSSCGKSA-N 1 0 301.434 3.410 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1 ZINC000186230521 432570559 /nfs/dbraw/zinc/57/05/59/432570559.db2.gz XEXBUMUVUQKTHV-UKRRQHHQSA-N 1 0 321.417 3.127 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(Br)cc1O ZINC000186234878 432572747 /nfs/dbraw/zinc/57/27/47/432572747.db2.gz LERUSRYUCMLIRS-JQWIXIFHSA-N 1 0 314.223 3.374 20 10 DGCDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187180900 432649792 /nfs/dbraw/zinc/64/97/92/432649792.db2.gz NNDWCVVRAGHYHP-QMTHXVAHSA-N 1 0 316.239 3.275 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227686802 432713775 /nfs/dbraw/zinc/71/37/75/432713775.db2.gz JZIKRHSPFKMVSO-STQMWFEESA-N 1 0 308.422 3.264 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187701360 432677622 /nfs/dbraw/zinc/67/76/22/432677622.db2.gz UPPBXTYMJZSPLP-QWHCGFSZSA-N 1 0 312.404 3.441 20 10 DGCDRO C[NH2+]CCCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000178740966 432771362 /nfs/dbraw/zinc/77/13/62/432771362.db2.gz QUMHWDQHRQRLOT-UHFFFAOYSA-N 1 0 317.477 3.071 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000276634571 432823012 /nfs/dbraw/zinc/82/30/12/432823012.db2.gz OBNNLSLYQCDLAC-SFHVURJKSA-N 1 0 300.446 3.336 20 10 DGCDRO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc2ccccc2c1O ZINC000296312884 432894904 /nfs/dbraw/zinc/89/49/04/432894904.db2.gz GKZFDUGOJDSFBP-LLVKDONJSA-N 1 0 308.385 3.392 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1COC3(CCCCC3)O1)CC2 ZINC000296979584 432944826 /nfs/dbraw/zinc/94/48/26/432944826.db2.gz RVVGHKSPBQBZEK-LSDHHAIUSA-N 1 0 303.402 3.045 20 10 DGCDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3ccccc3O)n2)c1 ZINC000279416889 432967229 /nfs/dbraw/zinc/96/72/29/432967229.db2.gz FJOFVZLTFRKAJM-STQMWFEESA-N 1 0 323.400 3.293 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c1O ZINC000289814572 432974430 /nfs/dbraw/zinc/97/44/30/432974430.db2.gz SZPQCVHWADAXMK-GOEBONIOSA-N 1 0 307.434 3.306 20 10 DGCDRO CC[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)OC ZINC000290017145 432982436 /nfs/dbraw/zinc/98/24/36/432982436.db2.gz CCRAPAZEHWEPKU-MWLCHTKSSA-N 1 0 302.212 3.230 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cccnc2)c(C(F)(F)F)c1 ZINC000279909666 432998176 /nfs/dbraw/zinc/99/81/76/432998176.db2.gz LUBAGCCFSYWZFD-UHFFFAOYSA-N 1 0 309.335 3.456 20 10 DGCDRO CC[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)OC ZINC000290184487 433008641 /nfs/dbraw/zinc/00/86/41/433008641.db2.gz NTZHRQCVXZWCEX-ONGXEEELSA-N 1 0 302.212 3.230 20 10 DGCDRO CC[C@H]([NH2+]CCCC(=O)N(CC)CC)c1ccc(C)cc1O ZINC000280263828 433024773 /nfs/dbraw/zinc/02/47/73/433024773.db2.gz XJMCGUUWLTUUHS-INIZCTEOSA-N 1 0 306.450 3.390 20 10 DGCDRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc2ccccc2c1O ZINC000280884235 433209446 /nfs/dbraw/zinc/20/94/46/433209446.db2.gz BAYHGTWHYJYDGC-XMHCIUCPSA-N 1 0 317.454 3.497 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c(O)c1 ZINC000290987919 433216786 /nfs/dbraw/zinc/21/67/86/433216786.db2.gz UWARRBNHKQJOGF-QGZVFWFLSA-N 1 0 307.434 3.068 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1O ZINC000291060820 433220225 /nfs/dbraw/zinc/22/02/25/433220225.db2.gz PJTFVKLAVYWNPX-OAHLLOKOSA-N 1 0 314.404 3.456 20 10 DGCDRO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccccc2O)C1 ZINC000291331348 433234062 /nfs/dbraw/zinc/23/40/62/433234062.db2.gz UPNRCGLLVVMOMT-FQEVSTJZSA-N 1 0 311.425 3.209 20 10 DGCDRO COCCOCc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000291296491 433234763 /nfs/dbraw/zinc/23/47/63/433234763.db2.gz SCIGDQCDFHYTAN-HNNXBMFYSA-N 1 0 315.413 3.406 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1O ZINC000291765090 433343124 /nfs/dbraw/zinc/34/31/24/433343124.db2.gz SASOBJFOAYFEKM-DIFFPNOSSA-N 1 0 319.426 3.254 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1O ZINC000291765094 433343772 /nfs/dbraw/zinc/34/37/72/433343772.db2.gz SASOBJFOAYFEKM-GTNSWQLSSA-N 1 0 319.426 3.254 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1 ZINC000375265735 433400426 /nfs/dbraw/zinc/40/04/26/433400426.db2.gz BOICMNZCSCYPAP-UHFFFAOYSA-N 1 0 315.417 3.202 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC000271640821 289977610 /nfs/dbraw/zinc/97/76/10/289977610.db2.gz DSYRLFOIGJJJOC-YOEHRIQHSA-N 1 0 304.434 3.089 20 10 DGCDRO CCCC[N@H+](Cc1cnc2cnccn12)Cc1ccccc1O ZINC000282842978 433636131 /nfs/dbraw/zinc/63/61/31/433636131.db2.gz CUORSJPVXKAQJU-UHFFFAOYSA-N 1 0 310.401 3.237 20 10 DGCDRO CC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H](C)CO ZINC000292859048 433603050 /nfs/dbraw/zinc/60/30/50/433603050.db2.gz VBVQFELMWBGRCJ-OAHLLOKOSA-N 1 0 315.413 3.174 20 10 DGCDRO CCOCc1cc(C[NH2+]CCC2(OC)CCC2)ccc1OC ZINC000292907411 433605445 /nfs/dbraw/zinc/60/54/45/433605445.db2.gz HCLJUEAIYFOSIW-UHFFFAOYSA-N 1 0 307.434 3.281 20 10 DGCDRO CC[C@H](CSC)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000362258208 433608061 /nfs/dbraw/zinc/60/80/61/433608061.db2.gz QJSWMGKAQYAKQY-CQSZACIVSA-N 1 0 308.491 3.395 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CCCC23CCOCC3)c1O ZINC000282660310 433623031 /nfs/dbraw/zinc/62/30/31/433623031.db2.gz LVMWIVFKCQBXTJ-INIZCTEOSA-N 1 0 305.418 3.230 20 10 DGCDRO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000362385745 433675397 /nfs/dbraw/zinc/67/53/97/433675397.db2.gz HADMGNHQERVOFM-LLVKDONJSA-N 1 0 307.781 3.117 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293560540 433781466 /nfs/dbraw/zinc/78/14/66/433781466.db2.gz GAVDREBGPQNDPS-MRXNPFEDSA-N 1 0 307.821 3.437 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)c(O)c1 ZINC000293630679 433805833 /nfs/dbraw/zinc/80/58/33/433805833.db2.gz HNORCKDQGKGDFM-HZPDHXFCSA-N 1 0 307.434 3.245 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c(O)c1 ZINC000293812339 433878109 /nfs/dbraw/zinc/87/81/09/433878109.db2.gz RRFWDDVMPPKTDA-OAHLLOKOSA-N 1 0 318.461 3.308 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000294538181 434118147 /nfs/dbraw/zinc/11/81/47/434118147.db2.gz IDGCWNQQFYFFAY-UHFFFAOYSA-N 1 0 316.470 3.341 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cnc(OC)c(Cl)c2)c1 ZINC000294687734 434127952 /nfs/dbraw/zinc/12/79/52/434127952.db2.gz AHZKWTQYYSHCGC-UHFFFAOYSA-N 1 0 322.792 3.138 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1F ZINC000378338182 434148757 /nfs/dbraw/zinc/14/87/57/434148757.db2.gz XXXGJUVIJITZBH-OAHLLOKOSA-N 1 0 316.424 3.005 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)c2cnn(CC)c2)ccc1OC ZINC000294900266 434151109 /nfs/dbraw/zinc/15/11/09/434151109.db2.gz RMSZNZLIFPPYSH-AWEZNQCLSA-N 1 0 317.433 3.299 20 10 DGCDRO CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294876837 434151738 /nfs/dbraw/zinc/15/17/38/434151738.db2.gz KPCDVFXRKKBOEC-UHFFFAOYSA-N 1 0 314.832 3.489 20 10 DGCDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000295014225 434157967 /nfs/dbraw/zinc/15/79/67/434157967.db2.gz JTFQSHLZGLFDAS-LBPRGKRZSA-N 1 0 318.383 3.412 20 10 DGCDRO CO[C@@H](C)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000295068242 434179830 /nfs/dbraw/zinc/17/98/30/434179830.db2.gz QVBYUEBSIANOET-HNNXBMFYSA-N 1 0 315.413 3.486 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H](CO)c2ccccc2)cc1F ZINC000295076037 434184038 /nfs/dbraw/zinc/18/40/38/434184038.db2.gz PTSFLDHQIRIICW-SFHVURJKSA-N 1 0 302.393 3.057 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(C)(C)O ZINC000295100903 434199948 /nfs/dbraw/zinc/19/99/48/434199948.db2.gz VZHKWNUCRUNTDR-ZANVPECISA-N 1 0 316.239 3.355 20 10 DGCDRO C[C@@H](O)C[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295940449 434445178 /nfs/dbraw/zinc/44/51/78/434445178.db2.gz GGNXFMNIPOCHKT-CQSZACIVSA-N 1 0 304.459 3.197 20 10 DGCDRO C[C@H](O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295592203 434420908 /nfs/dbraw/zinc/42/09/08/434420908.db2.gz FGXIRPZACWHDBC-AWEZNQCLSA-N 1 0 304.459 3.245 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCN1CCc3sccc3C1)CC2 ZINC000296110898 434512437 /nfs/dbraw/zinc/51/24/37/434512437.db2.gz USTXZCABRBCOML-OAHLLOKOSA-N 1 0 314.454 3.089 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1 ZINC000273585112 295167473 /nfs/dbraw/zinc/16/74/73/295167473.db2.gz NNIAIAGTRDNOHR-VHSXEESVSA-N 1 0 307.312 3.019 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000368653158 434580356 /nfs/dbraw/zinc/58/03/56/434580356.db2.gz QCJRPDPVRNILDF-JBBXEZCESA-N 1 0 305.418 3.257 20 10 DGCDRO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(Cl)ccc1O ZINC000368477186 434575312 /nfs/dbraw/zinc/57/53/12/434575312.db2.gz DKOXISMRDYRODR-GFCCVEGCSA-N 1 0 319.836 3.472 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c(O)c1C ZINC000368477330 434575334 /nfs/dbraw/zinc/57/53/34/434575334.db2.gz FQFKSRLZPMPEOX-OAHLLOKOSA-N 1 0 313.445 3.435 20 10 DGCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC000370671190 434616544 /nfs/dbraw/zinc/61/65/44/434616544.db2.gz OFBSIWGFCBOHFC-SUMWQHHRSA-N 1 0 310.445 3.059 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cc(F)ccc1O ZINC000370373366 434612221 /nfs/dbraw/zinc/61/22/21/434612221.db2.gz JBCBKOOKPVNZDC-SJKOYZFVSA-N 1 0 300.377 3.369 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@H]2c2nccs2)cc1OC ZINC000360776312 434689249 /nfs/dbraw/zinc/68/92/49/434689249.db2.gz CPAPORGAXFWXRF-LBPRGKRZSA-N 1 0 320.414 3.203 20 10 DGCDRO COc1cccc([C@@H](C[NH2+]Cc2cccc(C)c2O)OC)c1 ZINC000529639291 435038188 /nfs/dbraw/zinc/03/81/88/435038188.db2.gz PSLJZGSNIQSYEV-QGZVFWFLSA-N 1 0 301.386 3.187 20 10 DGCDRO COc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2O)C2CC2)cn1 ZINC000529687486 435039596 /nfs/dbraw/zinc/03/95/96/435039596.db2.gz FBEBIVKJQLRWMF-KRWDZBQOSA-N 1 0 302.349 3.176 20 10 DGCDRO Cc1cccc2c1CCCN2C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662604037 436368654 /nfs/dbraw/zinc/36/86/54/436368654.db2.gz ZPMBQQCTPBMIGG-UHFFFAOYSA-N 1 0 306.409 3.234 20 10 DGCDRO C[C@H]([NH2+]CCC(C)(C)CO)c1cc(Br)ccc1O ZINC000296462458 335142331 /nfs/dbraw/zinc/14/23/31/335142331.db2.gz NJBKGPQZQSENIC-JTQLQIEISA-N 1 0 316.239 3.214 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)CC(F)(F)F ZINC000276370409 334076406 /nfs/dbraw/zinc/07/64/06/334076406.db2.gz OISMTMFIUREHQN-HNNXBMFYSA-N 1 0 318.383 3.276 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000283686878 334140962 /nfs/dbraw/zinc/14/09/62/334140962.db2.gz IHEWQVMHMLNLBO-HNNXBMFYSA-N 1 0 321.465 3.044 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)COCC(F)(F)F)c1 ZINC000295200582 334220698 /nfs/dbraw/zinc/22/06/98/334220698.db2.gz YQLLOLOFKUAIKY-LBPRGKRZSA-N 1 0 321.339 3.238 20 10 DGCDRO COc1cccc([C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)OC)c1 ZINC000527924354 337775467 /nfs/dbraw/zinc/77/54/67/337775467.db2.gz GUAROTVBRGQKJW-FUHWJXTLSA-N 1 0 313.397 3.365 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000184682149 533952810 /nfs/dbraw/zinc/95/28/10/533952810.db2.gz YMIWJZXHNBDEMR-NSHDSACASA-N 1 0 321.808 3.157 20 10 DGCDRO COc1ccc(O)c(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000179631151 534198883 /nfs/dbraw/zinc/19/88/83/534198883.db2.gz NJYTUCCTQBXYQW-UHFFFAOYSA-N 1 0 311.381 3.396 20 10 DGCDRO COC(=O)c1coc(C[NH2+]Cc2c(C)c3ccccc3n2C)c1 ZINC000355105585 534315679 /nfs/dbraw/zinc/31/56/79/534315679.db2.gz AUKQIJBWGXXGLH-UHFFFAOYSA-N 1 0 312.369 3.156 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1 ZINC000127275448 520288646 /nfs/dbraw/zinc/28/86/46/520288646.db2.gz ROCGMNXBLFMWRL-QKKBWIMNSA-N 1 0 310.507 3.341 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000236818093 520366133 /nfs/dbraw/zinc/36/61/33/520366133.db2.gz QOFALVQMUONLCS-GOSISDBHSA-N 1 0 319.376 3.143 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000236820832 520366429 /nfs/dbraw/zinc/36/64/29/520366429.db2.gz QOFALVQMUONLCS-SFHVURJKSA-N 1 0 319.376 3.143 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000265906578 521155246 /nfs/dbraw/zinc/15/52/46/521155246.db2.gz WROMHHMCVZUMKX-QGZVFWFLSA-N 1 0 301.386 3.004 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCS[C@H](C)CC2)c1O ZINC000190694414 522537148 /nfs/dbraw/zinc/53/71/48/522537148.db2.gz OZERORJMUSUODX-SNVBAGLBSA-N 1 0 301.839 3.382 20 10 DGCDRO CC[C@@](C)(CCO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000182626516 523637067 /nfs/dbraw/zinc/63/70/67/523637067.db2.gz HUFUAPKUSRXFJA-AWEZNQCLSA-N 1 0 316.239 3.104 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3c(C)noc3C)CC2)cc1 ZINC000368899300 524404400 /nfs/dbraw/zinc/40/44/00/524404400.db2.gz IKYLAILFPHULMF-UHFFFAOYSA-N 1 0 315.417 3.059 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000181376683 524754490 /nfs/dbraw/zinc/75/44/90/524754490.db2.gz GHTRNCNYUWYFMR-MRXNPFEDSA-N 1 0 319.401 3.497 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000186189774 524763029 /nfs/dbraw/zinc/76/30/29/524763029.db2.gz RZMZDNBRABRPQU-XIKOKIGWSA-N 1 0 319.376 3.098 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000182894595 524772793 /nfs/dbraw/zinc/77/27/93/524772793.db2.gz NAOABWBHZXUEAA-HOCLYGCPSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(OC)ccc3O)C2)cc1 ZINC000179955218 525254391 /nfs/dbraw/zinc/25/43/91/525254391.db2.gz SRTVJXBDSUZIAD-OAHLLOKOSA-N 1 0 313.397 3.399 20 10 DGCDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265698051 525661935 /nfs/dbraw/zinc/66/19/35/525661935.db2.gz PSACTCZCECXRKT-SFHVURJKSA-N 1 0 317.454 3.263 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c(O)c1 ZINC000186190018 525731495 /nfs/dbraw/zinc/73/14/95/525731495.db2.gz OEWXSSDMQOSDGD-FZKQIMNGSA-N 1 0 303.377 3.398 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000132477313 526362532 /nfs/dbraw/zinc/36/25/32/526362532.db2.gz MHXLXFBWLHPTMT-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO CC1=CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000294299673 528122650 /nfs/dbraw/zinc/12/26/50/528122650.db2.gz PWUBEEGWPZPQGV-INIZCTEOSA-N 1 0 318.436 3.375 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000285200500 535419883 /nfs/dbraw/zinc/41/98/83/535419883.db2.gz OBLKYHLAZNBLLT-OAHLLOKOSA-N 1 0 306.450 3.308 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1 ZINC000288480241 535752446 /nfs/dbraw/zinc/75/24/46/535752446.db2.gz GKJWJBQAHMQURH-SCLBCKFNSA-N 1 0 301.386 3.003 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cnc(C(C)(C)C)nc3)ccc21 ZINC000284485500 536396448 /nfs/dbraw/zinc/39/64/48/536396448.db2.gz WTKDUGKBYWEGHA-UHFFFAOYSA-N 1 0 324.472 3.446 20 10 DGCDRO CO[C@H](C)c1nc(C[NH2+][C@@H]2CCc3cccc(O)c32)cs1 ZINC000297946438 536513060 /nfs/dbraw/zinc/51/30/60/536513060.db2.gz YJSFVOGHRQBIBQ-ZWNOBZJWSA-N 1 0 304.415 3.333 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CC(C(=O)OC(C)(C)C)C2)c1 ZINC001659102740 1196345225 /nfs/dbraw/zinc/34/52/25/1196345225.db2.gz IZUOAQOYDDYNKT-UHFFFAOYSA-N 1 0 305.418 3.289 20 10 DGCDRO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)C(=O)Nc1ccccc1 ZINC000731041550 574541888 /nfs/dbraw/zinc/54/18/88/574541888.db2.gz GEFHATUVPIUGND-UHFFFAOYSA-N 1 0 310.397 3.128 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000733322141 574615460 /nfs/dbraw/zinc/61/54/60/574615460.db2.gz ADRAYDJLIKZJQF-UHFFFAOYSA-N 1 0 304.777 3.294 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)c1O ZINC000733331618 574616975 /nfs/dbraw/zinc/61/69/75/574616975.db2.gz FDCNJYZKAWBNLI-CQSZACIVSA-N 1 0 315.369 3.023 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccc2c1OCCO2 ZINC000733331565 574617181 /nfs/dbraw/zinc/61/71/81/574617181.db2.gz GXQHDMVGRPXVDX-UHFFFAOYSA-N 1 0 305.761 3.107 20 10 DGCDRO CCCCNC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000734847067 574678709 /nfs/dbraw/zinc/67/87/09/574678709.db2.gz ARCZIMFLZRTDER-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CSc3ccccc31)OCO2 ZINC000735508885 574704751 /nfs/dbraw/zinc/70/47/51/574704751.db2.gz PTDPFBKLHFEBCZ-GFCCVEGCSA-N 1 0 301.367 3.058 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nc2ccccc2n1C ZINC000735925368 574722159 /nfs/dbraw/zinc/72/21/59/574722159.db2.gz FMALEUIQYKTWDJ-ZDUSSCGKSA-N 1 0 307.397 3.359 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000741678291 574966358 /nfs/dbraw/zinc/96/63/58/574966358.db2.gz NEFMMDPIADKAFP-INIZCTEOSA-N 1 0 319.493 3.125 20 10 DGCDRO COc1cccc(C[NH2+]Cc2coc(-c3ccccc3)n2)c1O ZINC000742374235 574993574 /nfs/dbraw/zinc/99/35/74/574993574.db2.gz SBXXIRMMNGGHMT-UHFFFAOYSA-N 1 0 310.353 3.346 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)Cc2cccc(O)c2)c1O ZINC000729681241 575259790 /nfs/dbraw/zinc/25/97/90/575259790.db2.gz YPUKDTNQMPDDKV-CYBMUJFWSA-N 1 0 301.386 3.217 20 10 DGCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000747815569 575543035 /nfs/dbraw/zinc/54/30/35/575543035.db2.gz ROZDDMAVKZRPTQ-QGZVFWFLSA-N 1 0 322.412 3.183 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([NH2+]C(C)C)C2)c1O ZINC000750045236 575699749 /nfs/dbraw/zinc/69/97/49/575699749.db2.gz NLXHEYFJMSZWQE-HNNXBMFYSA-N 1 0 324.852 3.211 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(OC(C)C)CC2)c1O ZINC000750826776 575753822 /nfs/dbraw/zinc/75/38/22/575753822.db2.gz YLBVBGBUQHQVOA-UHFFFAOYSA-N 1 0 309.381 3.123 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1O ZINC000752264449 575829637 /nfs/dbraw/zinc/82/96/37/575829637.db2.gz DLZPWGNGITXKRC-XEKQOVJPSA-N 1 0 313.397 3.444 20 10 DGCDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000725780395 575912661 /nfs/dbraw/zinc/91/26/61/575912661.db2.gz UMADJSAQFSPHND-AWEZNQCLSA-N 1 0 311.381 3.419 20 10 DGCDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000726588146 576031666 /nfs/dbraw/zinc/03/16/66/576031666.db2.gz LRAIONLPPBXCDF-OAHLLOKOSA-N 1 0 313.397 3.463 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)cc1C(C)C ZINC000727170236 576110418 /nfs/dbraw/zinc/11/04/18/576110418.db2.gz UZXMADWBCFMBPO-KRWDZBQOSA-N 1 0 302.462 3.494 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000728301170 576174441 /nfs/dbraw/zinc/17/44/41/576174441.db2.gz KDIZKRDZIYSUFI-AWEZNQCLSA-N 1 0 324.424 3.373 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC000916838493 620646732 /nfs/dbraw/zinc/64/67/32/620646732.db2.gz RJLZIYCOXDWCHG-UHFFFAOYSA-N 1 0 313.489 3.205 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)c1cccc2c1C[NH2+]C2 ZINC000852799400 620649510 /nfs/dbraw/zinc/64/95/10/620649510.db2.gz DWNJDJKPGYPOFC-UHFFFAOYSA-N 1 0 310.397 3.048 20 10 DGCDRO CN1CC[N@H+](Cc2cc3c(cc2O)CCC3)[C@H](c2ccccc2)C1 ZINC000917462508 620669360 /nfs/dbraw/zinc/66/93/60/620669360.db2.gz HNFINSLSCYDJNK-FQEVSTJZSA-N 1 0 322.452 3.370 20 10 DGCDRO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c1C ZINC000111236433 620685529 /nfs/dbraw/zinc/68/55/29/620685529.db2.gz IDUFYDSNSRDKFP-HNNXBMFYSA-N 1 0 312.413 3.468 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3ccc(C)cc3C2)cc1OC ZINC000853533635 620707268 /nfs/dbraw/zinc/70/72/68/620707268.db2.gz LLVUJGKZDXLCLI-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000154976107 620749337 /nfs/dbraw/zinc/74/93/37/620749337.db2.gz YKEAGHYJPYNDDQ-UXLLHSPISA-N 1 0 320.477 3.321 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(O)c1OC ZINC000891481455 617811433 /nfs/dbraw/zinc/81/14/33/617811433.db2.gz YUQUNKZAGBTBEJ-LLVKDONJSA-N 1 0 319.323 3.184 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(O)c1OC ZINC000891481456 617812463 /nfs/dbraw/zinc/81/24/63/617812463.db2.gz YUQUNKZAGBTBEJ-NSHDSACASA-N 1 0 319.323 3.184 20 10 DGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2O)C1(C)C ZINC000892102055 617962227 /nfs/dbraw/zinc/96/22/27/617962227.db2.gz REYOSEVFFMAJKU-LSDHHAIUSA-N 1 0 323.433 3.045 20 10 DGCDRO COc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(O)c1OC ZINC000892120345 617966700 /nfs/dbraw/zinc/96/67/00/617966700.db2.gz GXUKCTGDDIZXBL-ZFWWWQNUSA-N 1 0 323.458 3.269 20 10 DGCDRO COc1ccc(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c(O)c1OC ZINC000892203091 617983784 /nfs/dbraw/zinc/98/37/84/617983784.db2.gz QEOZLTWSKRPIIB-RDTXWAMCSA-N 1 0 323.433 3.045 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCOC[C@H]2CCCO2)c(Cl)c1 ZINC000840874165 618049046 /nfs/dbraw/zinc/04/90/46/618049046.db2.gz XLSXMCWEZPCJLD-CYBMUJFWSA-N 1 0 313.825 3.029 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CC1(F)F ZINC000840880819 618094607 /nfs/dbraw/zinc/09/46/07/618094607.db2.gz ZKYGBZDKZKVFNA-WOSRLPQWSA-N 1 0 310.388 3.218 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnn(C)c2C2CC2)cc1 ZINC000892613828 618119336 /nfs/dbraw/zinc/11/93/36/618119336.db2.gz AVOLCQSNGFBNNV-UHFFFAOYSA-N 1 0 312.461 3.434 20 10 DGCDRO C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)c(Cl)c1[O-] ZINC000854225963 620785591 /nfs/dbraw/zinc/78/55/91/620785591.db2.gz CBXKCCLZNGHAJM-NQTXRORDSA-N 1 0 301.217 3.102 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1C ZINC000892794475 618312772 /nfs/dbraw/zinc/31/27/72/618312772.db2.gz VCCYRXDABYOGOW-UHFFFAOYSA-N 1 0 311.381 3.006 20 10 DGCDRO CC(C)c1c[nH]c(CN(C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000894461147 618341752 /nfs/dbraw/zinc/34/17/52/618341752.db2.gz AUJIIZIKSJLKPV-UHFFFAOYSA-N 1 0 316.449 3.110 20 10 DGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000894535830 618375272 /nfs/dbraw/zinc/37/52/72/618375272.db2.gz OHQDVSSHOPLLJA-CQSZACIVSA-N 1 0 323.433 3.189 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000925077811 618421831 /nfs/dbraw/zinc/42/18/31/618421831.db2.gz CJYDBIAVDUHRNP-IEBWSBKVSA-N 1 0 302.462 3.356 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(C)cccc2C)c(O)c1OC ZINC000893171320 618458249 /nfs/dbraw/zinc/45/82/49/618458249.db2.gz CXIBETULGNKITF-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO C[C@H]([NH3+])[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000925529698 618473394 /nfs/dbraw/zinc/47/33/94/618473394.db2.gz LLSSURDRPBCGAR-UGSOOPFHSA-N 1 0 301.409 3.070 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1O ZINC000894852256 618476460 /nfs/dbraw/zinc/47/64/60/618476460.db2.gz OWEUWFRAYIHBPD-OAHLLOKOSA-N 1 0 321.804 3.186 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1O ZINC000894863110 618481698 /nfs/dbraw/zinc/48/16/98/618481698.db2.gz QNESTEUCLYGGCI-SFHVURJKSA-N 1 0 317.429 3.100 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000894898706 618492790 /nfs/dbraw/zinc/49/27/90/618492790.db2.gz IJLLWLBLAZDWNE-GDBMZVCRSA-N 1 0 307.434 3.250 20 10 DGCDRO COc1ccc(C[N@H+](C)C2CC(OC(C)(C)C)C2)c(O)c1OC ZINC000894980353 618506516 /nfs/dbraw/zinc/50/65/16/618506516.db2.gz IGYPPNUCMZYBLO-UHFFFAOYSA-N 1 0 323.433 3.187 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000894993315 618507228 /nfs/dbraw/zinc/50/72/28/618507228.db2.gz JCBQXVKQFMAFCO-SJORKVTESA-N 1 0 313.397 3.017 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1O ZINC000894997950 618509269 /nfs/dbraw/zinc/50/92/69/618509269.db2.gz CVNIFCNIRRTTSQ-SFHVURJKSA-N 1 0 319.445 3.346 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCc3ccccc32)c(Cl)c1 ZINC000840907685 618521934 /nfs/dbraw/zinc/52/19/34/618521934.db2.gz PFKGSWLOYPDUEY-SFHVURJKSA-N 1 0 317.816 3.278 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c(O)c1OC ZINC000893493573 618572506 /nfs/dbraw/zinc/57/25/06/618572506.db2.gz CZNIKXSKKSAOGS-FZKQIMNGSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c(O)c1OC ZINC000893497347 618573996 /nfs/dbraw/zinc/57/39/96/618573996.db2.gz ISSMPSIUICIPKO-AEGPPILISA-N 1 0 305.418 3.420 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](CCO)c1ccccc1 ZINC000840933465 618609347 /nfs/dbraw/zinc/60/93/47/618609347.db2.gz HEFJTDNYBKEDHU-IBGZPJMESA-N 1 0 312.457 3.317 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C ZINC000840941004 618613611 /nfs/dbraw/zinc/61/36/11/618613611.db2.gz MLDGXZPOEPNCRV-CQSZACIVSA-N 1 0 321.465 3.064 20 10 DGCDRO COc1nccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1F ZINC000893685101 618638590 /nfs/dbraw/zinc/63/85/90/618638590.db2.gz UXWAYLVVRZLQEH-LBPRGKRZSA-N 1 0 303.381 3.146 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1[O-] ZINC000925879444 618651373 /nfs/dbraw/zinc/65/13/73/618651373.db2.gz DRSCIOCOHVUHTJ-MXWKQRLJSA-N 1 0 302.340 3.189 20 10 DGCDRO CCCN(Cc1cccc2[nH]c(=O)oc21)c1ccc(C[NH3+])cc1 ZINC000894048280 618699509 /nfs/dbraw/zinc/69/95/09/618699509.db2.gz YPYDNEBWZRLEGZ-UHFFFAOYSA-N 1 0 311.385 3.409 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2cccnc2OC(C)C)c1O ZINC000894135009 618717933 /nfs/dbraw/zinc/71/79/33/618717933.db2.gz OZJOHGSNCHULFR-UHFFFAOYSA-N 1 0 316.401 3.181 20 10 DGCDRO CCCOc1ncccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894207193 618729389 /nfs/dbraw/zinc/72/93/89/618729389.db2.gz SHVANTNBCCYAFE-UHFFFAOYSA-N 1 0 316.401 3.183 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)COc2ccccc2)c1O ZINC000894207796 618729683 /nfs/dbraw/zinc/72/96/83/618729683.db2.gz ZBRHCZFTOVRNEW-CQSZACIVSA-N 1 0 301.386 3.266 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c1O ZINC000894231142 618734711 /nfs/dbraw/zinc/73/47/11/618734711.db2.gz NZMDUWJCOXHTPV-HNNXBMFYSA-N 1 0 317.360 3.462 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000894312649 618761991 /nfs/dbraw/zinc/76/19/91/618761991.db2.gz LXZSZCGUHJFOIW-XKQJLSEDSA-N 1 0 305.418 3.002 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)c2ncc(C)s2)c1O ZINC000894323149 618764251 /nfs/dbraw/zinc/76/42/51/618764251.db2.gz ILECOIYXCOKCMU-UHFFFAOYSA-N 1 0 306.431 3.499 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1O ZINC000894359498 618771704 /nfs/dbraw/zinc/77/17/04/618771704.db2.gz QGULUTZZVLXAKY-QGTPRVQTSA-N 1 0 317.429 3.147 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c1O ZINC000895449324 618786260 /nfs/dbraw/zinc/78/62/60/618786260.db2.gz GRBVASGZKWPKNU-NVXWUHKLSA-N 1 0 305.418 3.147 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H](O)c1ccccc1 ZINC000895476123 618789987 /nfs/dbraw/zinc/78/99/87/618789987.db2.gz FUCLOIPIKOYTCY-WMZOPIPTSA-N 1 0 315.413 3.311 20 10 DGCDRO C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)cc(F)c1[O-] ZINC000895683881 618818437 /nfs/dbraw/zinc/81/84/37/618818437.db2.gz WTIYLZDXYXYWFB-UHFFFAOYSA-N 1 0 312.404 3.368 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000895716922 618822043 /nfs/dbraw/zinc/82/20/43/618822043.db2.gz NBCQQNKORNUIHA-INIZCTEOSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1ccc(C[NH2+]Cc2csc(C)c2C)c(O)c1OC ZINC000895738602 618826816 /nfs/dbraw/zinc/82/68/16/618826816.db2.gz NBVJMFWEGYWKGT-UHFFFAOYSA-N 1 0 307.415 3.378 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@]23C[C@@H]2CCCC3)c(O)c1OC ZINC000895753838 618827276 /nfs/dbraw/zinc/82/72/76/618827276.db2.gz RESGYCFMHAOYIL-UVBSCNOISA-N 1 0 305.418 3.468 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@H]2CC(C)(C)CO2)c1O ZINC000895802580 618833668 /nfs/dbraw/zinc/83/36/68/618833668.db2.gz MWENONGQISVJBJ-ZDUSSCGKSA-N 1 0 313.825 3.349 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)c1O ZINC000895822151 618836094 /nfs/dbraw/zinc/83/60/94/618836094.db2.gz LGSZHTAGRUDRGX-UHFFFAOYSA-N 1 0 302.462 3.405 20 10 DGCDRO C[C@@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000895852636 618842176 /nfs/dbraw/zinc/84/21/76/618842176.db2.gz YJPYUWWVWUCLMC-IYXRBSQSSA-N 1 0 320.433 3.346 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2nccc3c2CCCC3)c1O ZINC000896280870 618896446 /nfs/dbraw/zinc/89/64/46/618896446.db2.gz MPSYWFLZKXQTML-UHFFFAOYSA-N 1 0 312.413 3.273 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000896494234 618920399 /nfs/dbraw/zinc/92/03/99/618920399.db2.gz FBUMFYNRQHVTPO-UHFFFAOYSA-N 1 0 312.461 3.174 20 10 DGCDRO Cc1nc(CC2CC[NH+](Cc3c(O)cccc3Cl)CC2)no1 ZINC000896550462 618927434 /nfs/dbraw/zinc/92/74/34/618927434.db2.gz AEPRYSKAFOPJJS-UHFFFAOYSA-N 1 0 321.808 3.192 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1O ZINC000896917630 618985546 /nfs/dbraw/zinc/98/55/46/618985546.db2.gz FAWJCVBTBMAIEG-HNNXBMFYSA-N 1 0 305.418 3.291 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ncnn1C ZINC000788971953 625309814 /nfs/dbraw/zinc/30/98/14/625309814.db2.gz RZUJZIIQQLEXCQ-CYBMUJFWSA-N 1 0 308.385 3.039 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)c1O ZINC000897387446 619101574 /nfs/dbraw/zinc/10/15/74/619101574.db2.gz XEZVQSXKHKIQGE-AWEZNQCLSA-N 1 0 311.809 3.246 20 10 DGCDRO CN(Cc1cccn1C)Cc1c(O)cccc1Br ZINC000862246981 619107357 /nfs/dbraw/zinc/10/73/57/619107357.db2.gz FDIUDPQLKGLKOH-UHFFFAOYSA-N 1 0 309.207 3.125 20 10 DGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]CCCSc1nccs1 ZINC000800479639 619139153 /nfs/dbraw/zinc/13/91/53/619139153.db2.gz HRPAEJANWPSCLE-QWHCGFSZSA-N 1 0 300.493 3.420 20 10 DGCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(F)ccc1O ZINC000897522974 619144988 /nfs/dbraw/zinc/14/49/88/619144988.db2.gz QUOVGSSXSRTMAK-ZDUSSCGKSA-N 1 0 309.303 3.105 20 10 DGCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cccc(C)c1O ZINC000897523282 619145206 /nfs/dbraw/zinc/14/52/06/619145206.db2.gz SSLBKGSXIMCZQZ-AWEZNQCLSA-N 1 0 305.340 3.274 20 10 DGCDRO CCc1cccc(C[NH2+]CC2(C)CCC3(CC2)OCCO3)c1O ZINC000897715400 619175911 /nfs/dbraw/zinc/17/59/11/619175911.db2.gz MPHBABVPQMARCZ-UHFFFAOYSA-N 1 0 319.445 3.368 20 10 DGCDRO CCOCc1cc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)ccc1OC ZINC000897780377 619181708 /nfs/dbraw/zinc/18/17/08/619181708.db2.gz GEECNFGMAYGCIB-ZCGYKAAXSA-N 1 0 319.445 3.279 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCOC23CCOCC3)cc1C ZINC000898112693 619214980 /nfs/dbraw/zinc/21/49/80/619214980.db2.gz PJXRYFCDQBLJNK-SFHVURJKSA-N 1 0 319.445 3.212 20 10 DGCDRO COc1cc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c(O)c(C(C)(C)C)c1 ZINC000898377226 619240468 /nfs/dbraw/zinc/24/04/68/619240468.db2.gz SQZBRKLVXSNSRZ-WBVHZDCISA-N 1 0 319.445 3.213 20 10 DGCDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000927014499 619256564 /nfs/dbraw/zinc/25/65/64/619256564.db2.gz CGXVKACOGDICPE-ZYHUDNBSSA-N 1 0 316.239 3.356 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCOC1CCSCC1 ZINC000898442802 619276368 /nfs/dbraw/zinc/27/63/68/619276368.db2.gz SCFILIBSIHPWKE-UHFFFAOYSA-N 1 0 301.839 3.047 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000898516445 619283492 /nfs/dbraw/zinc/28/34/92/619283492.db2.gz SBCXOLVXPKBTKP-RDJZCZTQSA-N 1 0 319.445 3.430 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000898516596 619283563 /nfs/dbraw/zinc/28/35/63/619283563.db2.gz VDRJHUHEZXTJEP-LSDHHAIUSA-N 1 0 305.418 3.039 20 10 DGCDRO C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1cccc(C(F)(F)F)c1O ZINC000902444356 619637199 /nfs/dbraw/zinc/63/71/99/619637199.db2.gz NFXIIWATALWWNA-CABZTGNLSA-N 1 0 302.340 3.060 20 10 DGCDRO C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(Cl)c(Cl)cc1O ZINC000902466954 619641858 /nfs/dbraw/zinc/64/18/58/619641858.db2.gz JQDFEEUNTQEIIW-PTYMLPSESA-N 1 0 301.217 3.243 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+](C)[C@@H]3CC[C@@H]3OC)c2c1 ZINC000902639207 619660221 /nfs/dbraw/zinc/66/02/21/619660221.db2.gz PAKCXDYGFWQKMD-AEFFLSMTSA-N 1 0 301.386 3.163 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Cc3nccs3)C1)CCC2 ZINC000902646344 619660963 /nfs/dbraw/zinc/66/09/63/619660963.db2.gz LELLLSRDRJWOGL-CYBMUJFWSA-N 1 0 314.454 3.402 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2CC2CCOCC2)cc1C ZINC000902669532 619662810 /nfs/dbraw/zinc/66/28/10/619662810.db2.gz HCYLBQDGDYFZLS-GOSISDBHSA-N 1 0 319.445 3.027 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccnn1-c1ccccc1)CC2 ZINC000903168051 619732446 /nfs/dbraw/zinc/73/24/46/619732446.db2.gz CZDAAFZBYIDNCP-SFHVURJKSA-N 1 0 319.408 3.398 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1ccccc1O ZINC000903271145 619749869 /nfs/dbraw/zinc/74/98/69/619749869.db2.gz JLWAOUQDGUZEES-JYJNAYRXSA-N 1 0 306.475 3.013 20 10 DGCDRO Cc1cc(CO)cc(C)c1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000903304011 619754240 /nfs/dbraw/zinc/75/42/40/619754240.db2.gz YFLUNIVHNIDSJA-CYBMUJFWSA-N 1 0 303.377 3.491 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(F)c2)c1 ZINC000903308033 619756839 /nfs/dbraw/zinc/75/68/39/619756839.db2.gz GITNIGJPWXEZJR-SCLBCKFNSA-N 1 0 303.377 3.398 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1ccccc1O ZINC000903308615 619757064 /nfs/dbraw/zinc/75/70/64/619757064.db2.gz JUHOJOPPLFIOBH-SJLPKXTDSA-N 1 0 303.377 3.480 20 10 DGCDRO CC[C@@H]([NH2+]C[C@]1(OC)CCSC1)c1ccc(N(C)C)cc1 ZINC000903308893 619757118 /nfs/dbraw/zinc/75/71/18/619757118.db2.gz AITMYXPXDVAONZ-IAGOWNOFSA-N 1 0 308.491 3.315 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2cccc(F)c2)c1 ZINC000903310303 619757491 /nfs/dbraw/zinc/75/74/91/619757491.db2.gz PUYJFKNWZWRGDM-SGTLLEGYSA-N 1 0 319.376 3.098 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(OC(C)C)CCOC2)c(O)c1 ZINC000903357014 619764408 /nfs/dbraw/zinc/76/44/08/619764408.db2.gz IYYYGAHXJYHJKO-CRAIPNDOSA-N 1 0 307.434 3.244 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(CCO)cc1)c1cc(Cl)ccc1O ZINC000903404293 619770888 /nfs/dbraw/zinc/77/08/88/619770888.db2.gz ZJXCRDOCAIDAOQ-LBPRGKRZSA-N 1 0 305.805 3.431 20 10 DGCDRO FC1(F)CC[NH2+]C[C@H]1CNCc1ccc(N2CCCCC2)cc1 ZINC000903955412 619846668 /nfs/dbraw/zinc/84/66/68/619846668.db2.gz RGYFAZVRXORWEJ-INIZCTEOSA-N 1 0 323.431 3.011 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c(Cl)c1 ZINC000904458080 619923924 /nfs/dbraw/zinc/92/39/24/619923924.db2.gz AVUCBWJGNNBMGX-NVXWUHKLSA-N 1 0 302.805 3.068 20 10 DGCDRO CCCCN(Cc1cn(C2CC2)nn1)Cc1ccccc1O ZINC000906298789 620083539 /nfs/dbraw/zinc/08/35/39/620083539.db2.gz NIYCRVXDRCBREH-UHFFFAOYSA-N 1 0 300.406 3.121 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC(C)(C)C[NH3+] ZINC000911632728 620339435 /nfs/dbraw/zinc/33/94/35/620339435.db2.gz JMCQVBGBAYZFMW-UHFFFAOYSA-N 1 0 317.477 3.010 20 10 DGCDRO CC1CCC(C)(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000911665443 620339675 /nfs/dbraw/zinc/33/96/75/620339675.db2.gz CIGPKFRKCXSHLB-KGYZHSKHSA-N 1 0 317.477 3.085 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc(N(CC)CC)cc1)N1CCCC1 ZINC000915228212 620575090 /nfs/dbraw/zinc/57/50/90/620575090.db2.gz IVUKRVOLNQAHEI-GOSISDBHSA-N 1 0 303.494 3.497 20 10 DGCDRO Cc1cc(O)c(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1C ZINC000915802271 620598335 /nfs/dbraw/zinc/59/83/35/620598335.db2.gz QHXDNUQLFAHOEM-UHFFFAOYSA-N 1 0 323.396 3.290 20 10 DGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc(N2CCCC2)n1 ZINC000921517682 620895888 /nfs/dbraw/zinc/89/58/88/620895888.db2.gz FCMKIFMQBQLGGG-UHFFFAOYSA-N 1 0 323.440 3.297 20 10 DGCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1ccc(NC(N)=O)cc1 ZINC000113351636 620905058 /nfs/dbraw/zinc/90/50/58/620905058.db2.gz WACXVLQGESGJJA-SNVBAGLBSA-N 1 0 319.792 3.387 20 10 DGCDRO Cc1cccc2nc(C[NH2+]Cc3ccc4c(c3)CCCO4)cn21 ZINC000921721363 620940693 /nfs/dbraw/zinc/94/06/93/620940693.db2.gz AQZPBNIVDLCINX-UHFFFAOYSA-N 1 0 307.397 3.258 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1c(F)cccc1F ZINC000921767282 620946621 /nfs/dbraw/zinc/94/66/21/620946621.db2.gz PUPGLNPZLGFSOQ-MRXNPFEDSA-N 1 0 319.351 3.113 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1c(F)cccc1F ZINC000921767281 620946688 /nfs/dbraw/zinc/94/66/88/620946688.db2.gz PUPGLNPZLGFSOQ-INIZCTEOSA-N 1 0 319.351 3.113 20 10 DGCDRO COc1cc(F)cc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921957772 620973600 /nfs/dbraw/zinc/97/36/00/620973600.db2.gz UMPOZGLOKYYUCU-UHFFFAOYSA-N 1 0 301.361 3.449 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)c1 ZINC000922213612 621007059 /nfs/dbraw/zinc/00/70/59/621007059.db2.gz PSNUEETWGRMNEK-BYNSBNAKSA-N 1 0 305.418 3.257 20 10 DGCDRO FC(F)CN1CCC(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922274978 621016549 /nfs/dbraw/zinc/01/65/49/621016549.db2.gz PTVCSVHFVUOMEA-UHFFFAOYSA-N 1 0 324.415 3.078 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000922429020 621036932 /nfs/dbraw/zinc/03/69/32/621036932.db2.gz NLRFBKDBPQMVQZ-MJGOQNOKSA-N 1 0 300.446 3.049 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC[C@@H]3CC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000922431334 621037557 /nfs/dbraw/zinc/03/75/57/621037557.db2.gz JFIOQPFYTVXFBF-SQGPQFPESA-N 1 0 314.473 3.174 20 10 DGCDRO CCCC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000856994433 621042948 /nfs/dbraw/zinc/04/29/48/621042948.db2.gz MUVIMUVWCFZJSF-ZWKOTPCHSA-N 1 0 319.493 3.331 20 10 DGCDRO CCN(CC)c1ccc(CNCc2cc(N(C)C)cc[nH+]2)cc1 ZINC000922478655 621043803 /nfs/dbraw/zinc/04/38/03/621043803.db2.gz AXDDWUIMLOWQCQ-UHFFFAOYSA-N 1 0 312.461 3.284 20 10 DGCDRO CC1(c2ccccc2)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000857058981 621052514 /nfs/dbraw/zinc/05/25/14/621052514.db2.gz XDAMAZLTROARLX-UHFFFAOYSA-N 1 0 322.452 3.297 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000922679851 621077253 /nfs/dbraw/zinc/07/72/53/621077253.db2.gz SATMMRTXRBHMDS-JSGCOSHPSA-N 1 0 303.324 3.290 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000922693784 621080823 /nfs/dbraw/zinc/08/08/23/621080823.db2.gz HSEDRNXEHUPVFN-LSDHHAIUSA-N 1 0 316.367 3.342 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCc2nc3c(s2)CCC3)cc1C ZINC000922713957 621088229 /nfs/dbraw/zinc/08/82/29/621088229.db2.gz BAYKUBLLCJWIRM-UHFFFAOYSA-N 1 0 302.443 3.287 20 10 DGCDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1c(O)cccc1Cl ZINC000922715636 621088329 /nfs/dbraw/zinc/08/83/29/621088329.db2.gz FTMJQHUEDJUXJT-UHFFFAOYSA-N 1 0 319.714 3.088 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1C ZINC000922717128 621088915 /nfs/dbraw/zinc/08/89/15/621088915.db2.gz UVICXRYXARFFMS-UHFFFAOYSA-N 1 0 313.323 3.051 20 10 DGCDRO CC(C)c1ncc2c(n1)CCN(Cc1ccc(N(C)C)cc1)C2 ZINC000857878551 621126899 /nfs/dbraw/zinc/12/68/99/621126899.db2.gz IGESFEIIKTYNJA-UHFFFAOYSA-N 1 0 310.445 3.224 20 10 DGCDRO COc1cc(C[NH2+]Cc2cncc(O)c2)c(O)c(C(C)(C)C)c1 ZINC000922976307 621141138 /nfs/dbraw/zinc/14/11/38/621141138.db2.gz UXIIBKIWTARRQN-UHFFFAOYSA-N 1 0 316.401 3.089 20 10 DGCDRO CCOc1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c(O)c1 ZINC000922970002 621142006 /nfs/dbraw/zinc/14/20/06/621142006.db2.gz YXIAIUNNWDUMAH-HNNXBMFYSA-N 1 0 305.418 3.372 20 10 DGCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(C)c(C)cc3O)C2)nc1 ZINC000858013300 621145784 /nfs/dbraw/zinc/14/57/84/621145784.db2.gz REDBXYDLQQGIRB-KRWDZBQOSA-N 1 0 312.413 3.366 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C2([C@@H]3CCCCO3)CC2)cc1F ZINC000923028226 621149820 /nfs/dbraw/zinc/14/98/20/621149820.db2.gz NUJFRPNECHEGCS-INIZCTEOSA-N 1 0 310.388 3.222 20 10 DGCDRO COCc1ccccc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858091338 621151656 /nfs/dbraw/zinc/15/16/56/621151656.db2.gz QHIRFOKUOKAICR-UHFFFAOYSA-N 1 0 320.383 3.467 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccnc(C)c3)C2)cc1 ZINC000858183057 621162025 /nfs/dbraw/zinc/16/20/25/621162025.db2.gz RLPFWPNAFVBXLH-KRWDZBQOSA-N 1 0 311.429 3.015 20 10 DGCDRO C[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccn1 ZINC000858188044 621162862 /nfs/dbraw/zinc/16/28/62/621162862.db2.gz PZDFRUYHWNWDPO-LBPRGKRZSA-N 1 0 305.372 3.319 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000858187373 621162946 /nfs/dbraw/zinc/16/29/46/621162946.db2.gz TXSHRAYYRZDCNO-UVDFWXMISA-N 1 0 300.446 3.298 20 10 DGCDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)OC)c1 ZINC000858204490 621164752 /nfs/dbraw/zinc/16/47/52/621164752.db2.gz MYKLZUPZPHSYFI-LJQANCHMSA-N 1 0 314.429 3.239 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2COc3cccc(C)c3C2)c(O)c1 ZINC000858215176 621165524 /nfs/dbraw/zinc/16/55/24/621165524.db2.gz BBPNEGPQKJDFGP-HNNXBMFYSA-N 1 0 313.397 3.193 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000858238939 621167208 /nfs/dbraw/zinc/16/72/08/621167208.db2.gz FIQBZJHYKNJYHD-UHFFFAOYSA-N 1 0 316.367 3.207 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000858239077 621167264 /nfs/dbraw/zinc/16/72/64/621167264.db2.gz HOLHCPBOMFHRBP-SFHVURJKSA-N 1 0 313.397 3.158 20 10 DGCDRO CCn1nnc(C)c1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858294355 621172536 /nfs/dbraw/zinc/17/25/36/621172536.db2.gz FXCINBLMLQCFLU-UHFFFAOYSA-N 1 0 323.444 3.304 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccns3)CC2)cc1 ZINC000858318667 621175310 /nfs/dbraw/zinc/17/53/10/621175310.db2.gz SEYWBGHWPCUYRN-ZDUSSCGKSA-N 1 0 317.458 3.471 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1N(C)C ZINC000923327618 621176410 /nfs/dbraw/zinc/17/64/10/621176410.db2.gz DWEFTRFJKUNNKB-MSOLQXFVSA-N 1 0 301.478 3.025 20 10 DGCDRO Fc1cc(C[NH2+]C[C@@H]2CCCC23CC3)ccc1N1CCOCC1 ZINC000858333194 621177019 /nfs/dbraw/zinc/17/70/19/621177019.db2.gz YRQDGJPRJPETEL-INIZCTEOSA-N 1 0 318.436 3.332 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3cccc(C)c3C2)c1 ZINC000858459309 621193989 /nfs/dbraw/zinc/19/39/89/621193989.db2.gz CFCDTMWCCVMGPA-UONOGXRCSA-N 1 0 313.397 3.364 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1cc(Cl)ccc1O ZINC000858474656 621195611 /nfs/dbraw/zinc/19/56/11/621195611.db2.gz STGIKMBKXKBBRR-JSGCOSHPSA-N 1 0 309.793 3.348 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)c(O)c1C ZINC000858479540 621196678 /nfs/dbraw/zinc/19/66/78/621196678.db2.gz UUNCDOCMQSHQEC-KBPBESRZSA-N 1 0 312.404 3.389 20 10 DGCDRO CC(=O)N(C)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000858496596 621197961 /nfs/dbraw/zinc/19/79/61/621197961.db2.gz ABLKGOKKRQKMEL-QGZVFWFLSA-N 1 0 310.397 3.152 20 10 DGCDRO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000858496976 621198039 /nfs/dbraw/zinc/19/80/39/621198039.db2.gz WUKNIEKEIQYMMB-GFCCVEGCSA-N 1 0 316.376 3.365 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000858505892 621199896 /nfs/dbraw/zinc/19/98/96/621199896.db2.gz CDLUQKAJSZPTGV-DZGCQCFKSA-N 1 0 303.402 3.312 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000858505749 621199898 /nfs/dbraw/zinc/19/98/98/621199898.db2.gz PMSJHAISZFEMIX-GXFFZTMASA-N 1 0 309.793 3.348 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000858532284 621202217 /nfs/dbraw/zinc/20/22/17/621202217.db2.gz IMPHVWVDEOOLFM-KXBFYZLASA-N 1 0 301.478 3.420 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000858539870 621203236 /nfs/dbraw/zinc/20/32/36/621203236.db2.gz OMHRAGZNZVZTQC-OAHLLOKOSA-N 1 0 317.477 3.052 20 10 DGCDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000840808812 621208693 /nfs/dbraw/zinc/20/86/93/621208693.db2.gz MRILIEHZFBJMII-GOEBONIOSA-N 1 0 315.413 3.136 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc2ccccc2c1O ZINC000858602986 621208888 /nfs/dbraw/zinc/20/88/88/621208888.db2.gz ONUMZUWYTAJVIW-FZKQIMNGSA-N 1 0 324.424 3.349 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Cl)ccc1O ZINC000858603954 621209059 /nfs/dbraw/zinc/20/90/59/621209059.db2.gz YIJHLQWZRRHHEY-GJZGRUSLSA-N 1 0 322.836 3.240 20 10 DGCDRO COc1cccc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c1O ZINC000839146007 621332296 /nfs/dbraw/zinc/33/22/96/621332296.db2.gz YBYGYIGMOMJNCY-UHFFFAOYSA-N 1 0 319.351 3.354 20 10 DGCDRO CC1=CC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000839145872 621332377 /nfs/dbraw/zinc/33/23/77/621332377.db2.gz UMIBWPATVRGKKI-OAHLLOKOSA-N 1 0 322.399 3.390 20 10 DGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144640 621332420 /nfs/dbraw/zinc/33/24/20/621332420.db2.gz IUVFUSQDTIHVNE-WMLDXEAASA-N 1 0 324.415 3.326 20 10 DGCDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145539 621332463 /nfs/dbraw/zinc/33/24/63/621332463.db2.gz PZQWGNRCRKCODF-CJNGLKHVSA-N 1 0 310.388 3.080 20 10 DGCDRO CC1(CO)C[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000839144817 621332587 /nfs/dbraw/zinc/33/25/87/621332587.db2.gz AQNHIFUXPQLUEV-UHFFFAOYSA-N 1 0 322.452 3.064 20 10 DGCDRO C[C@@H](CC1CCC1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146100 621332993 /nfs/dbraw/zinc/33/29/93/621332993.db2.gz WKRIYEYBZDQUCL-ZDUSSCGKSA-N 1 0 324.415 3.470 20 10 DGCDRO C[C@H](CCC1CC1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146209 621333079 /nfs/dbraw/zinc/33/30/79/621333079.db2.gz ZFBJNCCVRBYZLY-CYBMUJFWSA-N 1 0 324.415 3.470 20 10 DGCDRO Cc1noc(C2C[NH+](Cc3cc(-c4ccccc4)ccc3O)C2)n1 ZINC000839130717 621338211 /nfs/dbraw/zinc/33/82/11/621338211.db2.gz FZOOTJRMISCOOG-UHFFFAOYSA-N 1 0 321.380 3.350 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)c1O ZINC000839140327 621340434 /nfs/dbraw/zinc/34/04/34/621340434.db2.gz PCRMVBLHHSPHOO-OAHLLOKOSA-N 1 0 323.820 3.128 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)c2ccn(C)n2)c1O ZINC000839190125 621346244 /nfs/dbraw/zinc/34/62/44/621346244.db2.gz CTOBXFWZUZVSOD-SNVBAGLBSA-N 1 0 324.222 3.047 20 10 DGCDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000839190945 621346656 /nfs/dbraw/zinc/34/66/56/621346656.db2.gz DBQMYSXACREEFP-CABCVRRESA-N 1 0 316.367 3.429 20 10 DGCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000753588989 621451801 /nfs/dbraw/zinc/45/18/01/621451801.db2.gz HDNVJXCZDXMJQW-KRWDZBQOSA-N 1 0 302.462 3.391 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3cccc(C)c3)CC2)cc1F ZINC000753856606 621468739 /nfs/dbraw/zinc/46/87/39/621468739.db2.gz IJNZEZICUXRBEX-UHFFFAOYSA-N 1 0 314.404 3.465 20 10 DGCDRO CC(C)C1CC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000754090766 621486606 /nfs/dbraw/zinc/48/66/06/621486606.db2.gz YLTVMSSKAWIJQS-UHFFFAOYSA-N 1 0 316.489 3.420 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@@H](CC)c2cc(Cl)ccc2O)CCC1 ZINC000754106663 621487970 /nfs/dbraw/zinc/48/79/70/621487970.db2.gz SFUPDCYXSFGROW-AWEZNQCLSA-N 1 0 324.852 3.393 20 10 DGCDRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000754119902 621489383 /nfs/dbraw/zinc/48/93/83/621489383.db2.gz FAJUYNPOXRDSOP-XJKCOSOUSA-N 1 0 308.853 3.256 20 10 DGCDRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000754119898 621489435 /nfs/dbraw/zinc/48/94/35/621489435.db2.gz FAJUYNPOXRDSOP-IOASZLSFSA-N 1 0 308.853 3.256 20 10 DGCDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000754419058 621510278 /nfs/dbraw/zinc/51/02/78/621510278.db2.gz DQXXJCGJEPSKFP-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000754736870 621529305 /nfs/dbraw/zinc/52/93/05/621529305.db2.gz ONVIWAIOOLOVSE-CRAIPNDOSA-N 1 0 307.434 3.345 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000754736878 621529452 /nfs/dbraw/zinc/52/94/52/621529452.db2.gz ONVIWAIOOLOVSE-YJBOKZPZSA-N 1 0 307.434 3.345 20 10 DGCDRO COc1cc(C[N@@H+]2CCOC[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000754748498 621530580 /nfs/dbraw/zinc/53/05/80/621530580.db2.gz OBKAUNHFBGPHRO-ZDUSSCGKSA-N 1 0 307.434 3.167 20 10 DGCDRO CCN(CC[NH2+]Cc1cc(C)c(C)cc1O)CCC(F)(F)F ZINC000755220758 621559497 /nfs/dbraw/zinc/55/94/97/621559497.db2.gz QIGILHJBOXHFHS-UHFFFAOYSA-N 1 0 318.383 3.373 20 10 DGCDRO C[N@H+](CCOCC1CC1)Cc1c(O)cccc1Br ZINC000862250281 621567538 /nfs/dbraw/zinc/56/75/38/621567538.db2.gz MIYZPBFQDOUQPX-UHFFFAOYSA-N 1 0 314.223 3.013 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1F ZINC000862293038 621572699 /nfs/dbraw/zinc/57/26/99/621572699.db2.gz MTEWDDJPCBKQDD-KRWDZBQOSA-N 1 0 324.415 3.422 20 10 DGCDRO C[C@@H]1CCSCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862343560 621575889 /nfs/dbraw/zinc/57/58/89/621575889.db2.gz SMOQNXLAGNQCBS-LLVKDONJSA-N 1 0 300.418 3.358 20 10 DGCDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862351270 621576466 /nfs/dbraw/zinc/57/64/66/621576466.db2.gz IMFUKWUTISDDPL-TZMCWYRMSA-N 1 0 312.404 3.156 20 10 DGCDRO CC(C)[N@H+](Cc1c(O)cccc1Br)[C@@H]1CCOC1 ZINC000862372519 621581009 /nfs/dbraw/zinc/58/10/09/621581009.db2.gz NFEDBVFQSOJUEP-LLVKDONJSA-N 1 0 314.223 3.154 20 10 DGCDRO CC[N@H+](CCSC)Cc1c(O)cccc1Br ZINC000862400178 621582902 /nfs/dbraw/zinc/58/29/02/621582902.db2.gz PCMZFSRGVUFHOI-UHFFFAOYSA-N 1 0 304.253 3.340 20 10 DGCDRO C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC2(CCC2)O1 ZINC000862400284 621584983 /nfs/dbraw/zinc/58/49/83/621584983.db2.gz SEVXPAKEUKKXNS-GFCCVEGCSA-N 1 0 310.388 3.174 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@]3(C)CCCS3)C2)cc1 ZINC000862407734 621586242 /nfs/dbraw/zinc/58/62/42/621586242.db2.gz KZCRAWLAFSQDKW-YOEHRIQHSA-N 1 0 306.475 3.149 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCCC(F)(F)CC2)cc1OC ZINC000862467077 621592883 /nfs/dbraw/zinc/59/28/83/621592883.db2.gz OMIJCSCWQQZZJV-UHFFFAOYSA-N 1 0 301.333 3.031 20 10 DGCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000862540838 621599013 /nfs/dbraw/zinc/59/90/13/621599013.db2.gz KWMNJAPNUXEXEF-SAABIXHNSA-N 1 0 313.397 3.238 20 10 DGCDRO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000756106332 621615360 /nfs/dbraw/zinc/61/53/60/621615360.db2.gz IHMORIFFYFZLMG-OXJNMPFZSA-N 1 0 315.505 3.495 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1C ZINC000756365515 621631503 /nfs/dbraw/zinc/63/15/03/621631503.db2.gz ASGZRZSYYAFZNM-UXLLHSPISA-N 1 0 320.477 3.159 20 10 DGCDRO CC[C@H](CCO)[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000119237413 621633005 /nfs/dbraw/zinc/63/30/05/621633005.db2.gz XFEPTYVROVVSCI-YPMHNXCESA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc2ccccc2c1O ZINC000756383698 621633458 /nfs/dbraw/zinc/63/34/58/621633458.db2.gz ZYJUHGNYUNYLAR-SCLBCKFNSA-N 1 0 320.392 3.423 20 10 DGCDRO COc1ncccc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756394782 621635182 /nfs/dbraw/zinc/63/51/82/621635182.db2.gz YEUODJXHRMOPIF-ZWNOBZJWSA-N 1 0 302.349 3.273 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2O ZINC000756461085 621640124 /nfs/dbraw/zinc/64/01/24/621640124.db2.gz VBKBWIPSKXSEFO-UPESVBDASA-N 1 0 313.372 3.328 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1O ZINC000756503963 621643020 /nfs/dbraw/zinc/64/30/20/621643020.db2.gz RHWZAYAHJMMYFG-MWLCHTKSSA-N 1 0 322.758 3.333 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cc(F)ccc1O ZINC000756561608 621649343 /nfs/dbraw/zinc/64/93/43/621649343.db2.gz FQOAMSYGNNAMGC-YJYMSZOUSA-N 1 0 315.388 3.406 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(Br)cc1O ZINC000756573356 621650380 /nfs/dbraw/zinc/65/03/80/621650380.db2.gz JDKPPZKUIRXWIP-IINYFYTJSA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc2c(cc1O)CCCC2 ZINC000756585098 621651054 /nfs/dbraw/zinc/65/10/54/621651054.db2.gz XEFSVUYCFQHNFH-PBHICJAKSA-N 1 0 319.445 3.117 20 10 DGCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756586717 621651393 /nfs/dbraw/zinc/65/13/93/621651393.db2.gz TXTYRWOYOQLUEI-BONVTDFDSA-N 1 0 301.365 3.358 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000756603426 621652117 /nfs/dbraw/zinc/65/21/17/621652117.db2.gz BPDNXAOWSRYLME-DUFXMDAXSA-N 1 0 305.349 3.304 20 10 DGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)C(C)C ZINC000756628081 621653472 /nfs/dbraw/zinc/65/34/72/621653472.db2.gz VEFIAZPXFHGOCJ-YGRLFVJLSA-N 1 0 316.239 3.476 20 10 DGCDRO CC(C)[NH+](CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756626745 621653713 /nfs/dbraw/zinc/65/37/13/621653713.db2.gz CDZKDXPXGGRAPD-AWEZNQCLSA-N 1 0 323.437 3.460 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c2c1c(F)ccc2O ZINC000756640101 621655054 /nfs/dbraw/zinc/65/50/54/621655054.db2.gz IRUPUQUBAOJXII-BLTAXRJOSA-N 1 0 304.409 3.294 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2)c2c1c(F)ccc2O ZINC000756653820 621656083 /nfs/dbraw/zinc/65/60/83/621656083.db2.gz HDTJTWQPBFDWFW-DFBGVHRSSA-N 1 0 301.361 3.403 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccco2)c(O)c1C ZINC000756660724 621657199 /nfs/dbraw/zinc/65/71/99/621657199.db2.gz ORAUSAWRCQRFOA-LSDHHAIUSA-N 1 0 303.402 3.104 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c(O)c1 ZINC000756708632 621659723 /nfs/dbraw/zinc/65/97/23/621659723.db2.gz TVKJYOURVUNSLW-AWEZNQCLSA-N 1 0 320.433 3.361 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756711045 621659860 /nfs/dbraw/zinc/65/98/60/621659860.db2.gz HRDVXVAEHVTGLC-XJKSGUPXSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756710670 621659906 /nfs/dbraw/zinc/65/99/06/621659906.db2.gz DWZKPKUKVSZVLT-YOEHRIQHSA-N 1 0 315.413 3.402 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2NC(C)=O)c1 ZINC000756734302 621661219 /nfs/dbraw/zinc/66/12/19/621661219.db2.gz VQOKQJFNJSCTTI-LBPRGKRZSA-N 1 0 314.385 3.210 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000756757528 621662343 /nfs/dbraw/zinc/66/23/43/621662343.db2.gz OMACARDKHXFAIS-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO COc1ccc(N2CC[NH+](CCCOC(C)(C)C)CC2)cc1 ZINC000756779628 621664265 /nfs/dbraw/zinc/66/42/65/621664265.db2.gz ZZNYVIVILPXBOK-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO C[C@@H]([NH2+]CCOC1CCC1)c1ccc(Br)cc1O ZINC000756837268 621667186 /nfs/dbraw/zinc/66/71/86/621667186.db2.gz GBGXAJJYQCQRBF-SNVBAGLBSA-N 1 0 314.223 3.374 20 10 DGCDRO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000863545398 621682491 /nfs/dbraw/zinc/68/24/91/621682491.db2.gz QRLUIVGEWXFPEZ-SOLBZPMBSA-N 1 0 301.478 3.468 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000839562908 621697361 /nfs/dbraw/zinc/69/73/61/621697361.db2.gz FMIAGCKEWGVREQ-KUHUBIRLSA-N 1 0 323.440 3.357 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000757656523 621731532 /nfs/dbraw/zinc/73/15/32/621731532.db2.gz JHQSVQBRSBWFIJ-GHMZBOCLSA-N 1 0 314.223 3.232 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000757798978 621740332 /nfs/dbraw/zinc/74/03/32/621740332.db2.gz GLTZAKFPLVTACX-MAUKXSAKSA-N 1 0 305.418 3.215 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000120067393 621769245 /nfs/dbraw/zinc/76/92/45/621769245.db2.gz CEPLJTMZHSMKFB-UHFFFAOYSA-N 1 0 315.369 3.152 20 10 DGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000789530709 625518209 /nfs/dbraw/zinc/51/82/09/625518209.db2.gz NBHFOIOBGBLDHA-UHFFFAOYSA-N 1 0 312.413 3.333 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1n1ccnc1 ZINC000759156659 621830331 /nfs/dbraw/zinc/83/03/31/621830331.db2.gz HJDKUIGLUGDTQF-KSSFIOAISA-N 1 0 322.412 3.220 20 10 DGCDRO CCOc1cc(F)cc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000865440512 621921405 /nfs/dbraw/zinc/92/14/05/621921405.db2.gz INFRYHPTUKVXKI-UHFFFAOYSA-N 1 0 301.361 3.449 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccnn1CC1CCC1 ZINC000865466439 621927541 /nfs/dbraw/zinc/92/75/41/621927541.db2.gz WFRPPKHGFCWHJP-UHFFFAOYSA-N 1 0 312.461 3.347 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2ccnn2CC2CCC2)n1 ZINC000865468810 621927915 /nfs/dbraw/zinc/92/79/15/621927915.db2.gz KPNYUXLRQHJOTJ-UHFFFAOYSA-N 1 0 322.503 3.412 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cccc3c2CCOC3)c(O)c1 ZINC000865726293 621984557 /nfs/dbraw/zinc/98/45/57/621984557.db2.gz WITMKXNKIVJMQM-UHFFFAOYSA-N 1 0 313.397 3.153 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1F ZINC000865761241 621990691 /nfs/dbraw/zinc/99/06/91/621990691.db2.gz CPUYLNVPVMBZIO-MAUKXSAKSA-N 1 0 306.425 3.187 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1O ZINC000761203198 621993854 /nfs/dbraw/zinc/99/38/54/621993854.db2.gz KWYNMPPILHLFIQ-BXUZGUMPSA-N 1 0 311.809 3.055 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000761206554 621994343 /nfs/dbraw/zinc/99/43/43/621994343.db2.gz KWCNJZHLKWFZFC-XJKSGUPXSA-N 1 0 313.825 3.347 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1F ZINC000865785214 621994930 /nfs/dbraw/zinc/99/49/30/621994930.db2.gz NMIPKCGQUOSEER-ZFWWWQNUSA-N 1 0 324.415 3.183 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c(O)c1 ZINC000789593771 625531974 /nfs/dbraw/zinc/53/19/74/625531974.db2.gz VTVDUVXZFDVKIS-SFHVURJKSA-N 1 0 307.434 3.164 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCc2cn(C)c3ncccc23)cc1C ZINC000865811494 621999371 /nfs/dbraw/zinc/99/93/71/621999371.db2.gz ALJJMWUPIZJWIJ-UHFFFAOYSA-N 1 0 309.413 3.228 20 10 DGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c1 ZINC000762051044 622048688 /nfs/dbraw/zinc/04/86/88/622048688.db2.gz PNZJVOGCHKOPRX-GOSISDBHSA-N 1 0 313.397 3.067 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000866512461 622130400 /nfs/dbraw/zinc/13/04/00/622130400.db2.gz KWNRVTUPUFCJBF-XAYKYTGQSA-N 1 0 305.418 3.257 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)on1 ZINC000866515217 622130733 /nfs/dbraw/zinc/13/07/33/622130733.db2.gz DIBLUONDXKMDDI-VIFPVBQESA-N 1 0 324.764 3.061 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1cc(F)ccc1O ZINC000866563051 622138877 /nfs/dbraw/zinc/13/88/77/622138877.db2.gz JGJCBJSPIVCLTA-SJCJKPOMSA-N 1 0 300.377 3.369 20 10 DGCDRO COc1cccc(OCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000764760389 622217903 /nfs/dbraw/zinc/21/79/03/622217903.db2.gz IRKMJCKTXDVMJM-HNNXBMFYSA-N 1 0 314.429 3.491 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000765248652 622253730 /nfs/dbraw/zinc/25/37/30/622253730.db2.gz AIKSKBNOPUSBRS-VQIMIIECSA-N 1 0 318.461 3.133 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000765248649 622253997 /nfs/dbraw/zinc/25/39/97/622253997.db2.gz AIKSKBNOPUSBRS-LPHOPBHVSA-N 1 0 318.461 3.133 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1 ZINC000765266041 622255439 /nfs/dbraw/zinc/25/54/39/622255439.db2.gz LVNDODDINLHUTC-QGZVFWFLSA-N 1 0 312.413 3.072 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000765393502 622262504 /nfs/dbraw/zinc/26/25/04/622262504.db2.gz KLYXMJVMCDJXQX-KGLIPLIRSA-N 1 0 306.425 3.359 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000765480327 622267713 /nfs/dbraw/zinc/26/77/13/622267713.db2.gz LTRIUJBCTTXNBH-FQEVSTJZSA-N 1 0 324.468 3.416 20 10 DGCDRO C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccccc1O ZINC000868650878 622268549 /nfs/dbraw/zinc/26/85/49/622268549.db2.gz CVIQKKZIQAATHE-HNNXBMFYSA-N 1 0 319.449 3.019 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CCN1CC(F)F ZINC000765719741 622283920 /nfs/dbraw/zinc/28/39/20/622283920.db2.gz YXPPCSAGYJCIKR-HNNXBMFYSA-N 1 0 312.404 3.170 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765769483 622285680 /nfs/dbraw/zinc/28/56/80/622285680.db2.gz KUJGFBGWBMYCOX-SJLPKXTDSA-N 1 0 301.478 3.422 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765765019 622286036 /nfs/dbraw/zinc/28/60/36/622286036.db2.gz BWDSYVXHLVHPFM-ZBFHGGJFSA-N 1 0 305.441 3.171 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)[C@@H](O)C(F)(F)F ZINC000765786729 622287260 /nfs/dbraw/zinc/28/72/60/622287260.db2.gz IDPKFSURMDOLFS-LSDHHAIUSA-N 1 0 318.383 3.324 20 10 DGCDRO COC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765937630 622295196 /nfs/dbraw/zinc/29/51/96/622295196.db2.gz OXJUXLYZVKJGGM-VQIMIIECSA-N 1 0 320.477 3.115 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000766440726 622330353 /nfs/dbraw/zinc/33/03/53/622330353.db2.gz YVBYIWHYBJKHKQ-MSOLQXFVSA-N 1 0 321.534 3.231 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@H]3SC)CC2)cc1 ZINC000766600826 622341296 /nfs/dbraw/zinc/34/12/96/622341296.db2.gz GVUSPJLGNWSBLD-DLBZAZTESA-N 1 0 306.475 3.148 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1O ZINC000789756453 625562357 /nfs/dbraw/zinc/56/23/57/625562357.db2.gz DTVVLIQFXZKBFC-UHFFFAOYSA-N 1 0 309.837 3.386 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)COC4)CC2)cc1 ZINC000768139066 622441478 /nfs/dbraw/zinc/44/14/78/622441478.db2.gz AEFSZJKKDDZATR-UHFFFAOYSA-N 1 0 324.424 3.048 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000768162731 622442810 /nfs/dbraw/zinc/44/28/10/622442810.db2.gz GVKAEJDLYYMQEX-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO COc1cc(Br)cc(C[NH+]2C3CCC2CC3)c1O ZINC000768226945 622446143 /nfs/dbraw/zinc/44/61/43/622446143.db2.gz DFPUMMMOSIMTPB-UHFFFAOYSA-N 1 0 312.207 3.290 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)cc1F ZINC000768231278 622446457 /nfs/dbraw/zinc/44/64/57/622446457.db2.gz SJJYYQBOHZSPSN-HNNXBMFYSA-N 1 0 322.424 3.057 20 10 DGCDRO c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000768356354 622452187 /nfs/dbraw/zinc/45/21/87/622452187.db2.gz XGKOJHMTZZZZQB-FQEVSTJZSA-N 1 0 323.440 3.255 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]2CCCC[C@@H]12 ZINC000768439152 622456212 /nfs/dbraw/zinc/45/62/12/622456212.db2.gz ILEWYCVLSXVEGR-YUFPNPJJSA-N 1 0 317.429 3.219 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC=CCC3)C1)[C@H](O)CO2 ZINC000768445670 622457057 /nfs/dbraw/zinc/45/70/57/622457057.db2.gz GKKVGTDVYQQPGM-MJGOQNOKSA-N 1 0 315.413 3.140 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3c(C)cccc3C2)cc1OC ZINC000768449177 622457085 /nfs/dbraw/zinc/45/70/85/622457085.db2.gz FCWVGHXQWIIXQY-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465570 622457904 /nfs/dbraw/zinc/45/79/04/622457904.db2.gz ISCJFYYHZFJIRK-MJEQTWJJSA-N 1 0 305.418 3.219 20 10 DGCDRO CC(C)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768463353 622457979 /nfs/dbraw/zinc/45/79/79/622457979.db2.gz HJJUMHVQEPPADC-SUMWQHHRSA-N 1 0 305.418 3.076 20 10 DGCDRO COc1cc(C[NH+]2CCC(OCC3CC3)CC2)c(O)cc1C ZINC000768464900 622458216 /nfs/dbraw/zinc/45/82/16/622458216.db2.gz CBQLZZKIGUYFDU-UHFFFAOYSA-N 1 0 305.418 3.100 20 10 DGCDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462141 622458222 /nfs/dbraw/zinc/45/82/22/622458222.db2.gz JXWSSEGVQGHWAD-PBHICJAKSA-N 1 0 305.418 3.363 20 10 DGCDRO CCC[C@]1(C)CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466508 622458692 /nfs/dbraw/zinc/45/86/92/622458692.db2.gz QWYRYNFBRUWEIA-SJLPKXTDSA-N 1 0 305.418 3.220 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000768545736 622464036 /nfs/dbraw/zinc/46/40/36/622464036.db2.gz CJAOUCLAXVYMPV-KRWDZBQOSA-N 1 0 321.484 3.446 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c(O)c1 ZINC000768878276 622482816 /nfs/dbraw/zinc/48/28/16/622482816.db2.gz LCZVSQPIAUNZNO-OAHLLOKOSA-N 1 0 302.374 3.424 20 10 DGCDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1 ZINC000768892825 622483667 /nfs/dbraw/zinc/48/36/67/622483667.db2.gz MKKSHSFEYQEZKF-HNNXBMFYSA-N 1 0 316.420 3.275 20 10 DGCDRO CCOc1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c(O)c1 ZINC000768936447 622486723 /nfs/dbraw/zinc/48/67/23/622486723.db2.gz DEBVAHXTRPBUBC-QGZVFWFLSA-N 1 0 318.461 3.241 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000769290818 622514325 /nfs/dbraw/zinc/51/43/25/622514325.db2.gz JRSMPSZQIMYAMA-HUUCEWRRSA-N 1 0 304.434 3.004 20 10 DGCDRO CC(C)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769495340 622533947 /nfs/dbraw/zinc/53/39/47/622533947.db2.gz DXTFVFVMBPGKDA-UHFFFAOYSA-N 1 0 302.462 3.391 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1F ZINC000769503362 622534875 /nfs/dbraw/zinc/53/48/75/622534875.db2.gz HYUWTCADSOHVFH-CQSZACIVSA-N 1 0 322.424 3.055 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000769514287 622536899 /nfs/dbraw/zinc/53/68/99/622536899.db2.gz IUHPXLHSQTWUQL-MSOLQXFVSA-N 1 0 302.462 3.391 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCO[C@@H]2CCCCO2)C2CC2)cc1 ZINC000769708143 622552184 /nfs/dbraw/zinc/55/21/84/622552184.db2.gz KYONIWGXXSGWQI-LJQANCHMSA-N 1 0 318.461 3.260 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](COC(C)C)C2)cc1C(C)C ZINC000769805224 622563008 /nfs/dbraw/zinc/56/30/08/622563008.db2.gz WXIIDJAGSJIDHV-KRWDZBQOSA-N 1 0 321.461 3.450 20 10 DGCDRO CC(C)OC1CC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000769994766 622587789 /nfs/dbraw/zinc/58/77/89/622587789.db2.gz ITAXIZFNHXYWRB-LSJNQWAISA-N 1 0 318.461 3.130 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000770377268 622626584 /nfs/dbraw/zinc/62/65/84/622626584.db2.gz ZDOVDLWKJIYLQG-HUUCEWRRSA-N 1 0 305.418 3.039 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2=O)c2c1c(F)ccc2O ZINC000872113213 622814975 /nfs/dbraw/zinc/81/49/75/622814975.db2.gz NNTFIDJNPVIRCA-MDZLAQPJSA-N 1 0 307.365 3.013 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CCC3)CC1)[C@H](O)CO2 ZINC000872701367 622956124 /nfs/dbraw/zinc/95/61/24/622956124.db2.gz WBJHNASPRZKZRX-RDTXWAMCSA-N 1 0 317.429 3.220 20 10 DGCDRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000773084607 622981365 /nfs/dbraw/zinc/98/13/65/622981365.db2.gz URQGKWXZVDTBLM-SZVBFZGTSA-N 1 0 318.461 3.131 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C)c1O ZINC000124299722 622995028 /nfs/dbraw/zinc/99/50/28/622995028.db2.gz RHSCEOBIXVAUAN-VIFPVBQESA-N 1 0 300.196 3.148 20 10 DGCDRO CCCCn1cc(C[NH2+]Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000773408631 623023457 /nfs/dbraw/zinc/02/34/57/623023457.db2.gz IGMCWYVYSRLKTI-UHFFFAOYSA-N 1 0 300.450 3.347 20 10 DGCDRO CCCCn1cc(C[NH2+]Cc2cccc(OCC)c2O)c(C)n1 ZINC000773411262 623024298 /nfs/dbraw/zinc/02/42/98/623024298.db2.gz XOHGXOBCNORMQT-UHFFFAOYSA-N 1 0 317.433 3.386 20 10 DGCDRO COc1ccc(C[NH2+]CCCCSC)cc1Cn1cccn1 ZINC000873055693 623027102 /nfs/dbraw/zinc/02/71/02/623027102.db2.gz KTQMCZYHZKXUHF-UHFFFAOYSA-N 1 0 319.474 3.173 20 10 DGCDRO CCCOc1ccc(CNCc2nnc(C3CC3)[nH]2)cc1C ZINC000873128793 623042838 /nfs/dbraw/zinc/04/28/38/623042838.db2.gz DVNQXMBCCYAVGU-UHFFFAOYSA-N 1 0 300.406 3.069 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1Cn1cccn1 ZINC000873130129 623043107 /nfs/dbraw/zinc/04/31/07/623043107.db2.gz YSUHUJSUKUZTHS-WMZOPIPTSA-N 1 0 311.429 3.076 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)CC(F)F)cc1Cn1cccn1 ZINC000873134768 623045113 /nfs/dbraw/zinc/04/51/13/623045113.db2.gz UMAZKQUSXKXOFX-ZDUSSCGKSA-N 1 0 323.387 3.321 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873258488 623094613 /nfs/dbraw/zinc/09/46/13/623094613.db2.gz RPLDVUONOCIIPX-AUTRQRHGSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1 ZINC000774378365 623138465 /nfs/dbraw/zinc/13/84/65/623138465.db2.gz LINGGLIVGLNXNT-DNVCBOLYSA-N 1 0 301.478 3.420 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC000774471184 623149804 /nfs/dbraw/zinc/14/98/04/623149804.db2.gz KUPJGKCYAWMLMP-ZWKOTPCHSA-N 1 0 318.461 3.479 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCCCCC1 ZINC000774486738 623151775 /nfs/dbraw/zinc/15/17/75/623151775.db2.gz XMDRHKHZNRUSFV-JKSUJKDBSA-N 1 0 317.477 3.194 20 10 DGCDRO Cc1ccncc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775253969 623246417 /nfs/dbraw/zinc/24/64/17/623246417.db2.gz DPLSAYWPPZVKNX-MRXNPFEDSA-N 1 0 311.429 3.077 20 10 DGCDRO Cn1c(C[NH2+]Cc2ccccc2O)nc2cccc(Cl)c21 ZINC000775320766 623253783 /nfs/dbraw/zinc/25/37/83/623253783.db2.gz HRXXKEZZDQZARD-UHFFFAOYSA-N 1 0 301.777 3.222 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000775376330 623262097 /nfs/dbraw/zinc/26/20/97/623262097.db2.gz SWFDPXDASBDISW-JTQLQIEISA-N 1 0 320.320 3.299 20 10 DGCDRO C[C@@H]([NH2+]CCc1cnccn1)c1ccc(N2CCCCC2)cc1 ZINC000775419607 623273765 /nfs/dbraw/zinc/27/37/65/623273765.db2.gz VNVPDPXGTQHCCM-MRXNPFEDSA-N 1 0 310.445 3.360 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(Cl)ccc1O ZINC000775491291 623279764 /nfs/dbraw/zinc/27/97/64/623279764.db2.gz HQHFFXBCJOBNRS-FZMZJTMJSA-N 1 0 310.825 3.097 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(Cl)ccc1O ZINC000775513252 623282175 /nfs/dbraw/zinc/28/21/75/623282175.db2.gz OXYMZPRANKHPLS-JSGCOSHPSA-N 1 0 305.809 3.367 20 10 DGCDRO CC[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775514164 623283024 /nfs/dbraw/zinc/28/30/24/623283024.db2.gz XJSQTZSFRXVIDX-ZFWWWQNUSA-N 1 0 313.825 3.282 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000775524247 623283582 /nfs/dbraw/zinc/28/35/82/623283582.db2.gz RAJWRXFUEKMTRR-ONGXEEELSA-N 1 0 311.731 3.400 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O ZINC000775526085 623285095 /nfs/dbraw/zinc/28/50/95/623285095.db2.gz IXJXSBXHNBXLSR-OCCSQVGLSA-N 1 0 324.852 3.486 20 10 DGCDRO CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000775525317 623285110 /nfs/dbraw/zinc/28/51/10/623285110.db2.gz KKCYHLWVYUJOTR-PWSUYJOCSA-N 1 0 311.731 3.400 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(Cc3ccsc3)CC2)c1O ZINC000775647433 623303946 /nfs/dbraw/zinc/30/39/46/623303946.db2.gz VKVYIISPURNSAT-UHFFFAOYSA-N 1 0 302.443 3.080 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000775691510 623314494 /nfs/dbraw/zinc/31/44/94/623314494.db2.gz YMMJYMZADRLCIN-CQSZACIVSA-N 1 0 320.433 3.142 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775832760 623338760 /nfs/dbraw/zinc/33/87/60/623338760.db2.gz BNBRELNJYVTYQM-CYBMUJFWSA-N 1 0 315.392 3.181 20 10 DGCDRO Cc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775829935 623338775 /nfs/dbraw/zinc/33/87/75/623338775.db2.gz BATQXJIUBQCUJO-OAHLLOKOSA-N 1 0 311.429 3.350 20 10 DGCDRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834184 623339244 /nfs/dbraw/zinc/33/92/44/623339244.db2.gz LFXOAGOETXMLMT-NVXWUHKLSA-N 1 0 317.477 3.194 20 10 DGCDRO Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775835521 623339838 /nfs/dbraw/zinc/33/98/38/623339838.db2.gz UCIKHDAGKNRPHJ-LLVKDONJSA-N 1 0 306.841 3.299 20 10 DGCDRO COc1ccc(N(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC(C)C)cc1 ZINC000775987796 623361438 /nfs/dbraw/zinc/36/14/38/623361438.db2.gz ZCWJNLLUAKEFTH-KDURUIRLSA-N 1 0 318.461 3.021 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1O ZINC000776177473 623391271 /nfs/dbraw/zinc/39/12/71/623391271.db2.gz PEMKMSDWRUIDTJ-HNNXBMFYSA-N 1 0 324.852 3.091 20 10 DGCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000776176096 623391601 /nfs/dbraw/zinc/39/16/01/623391601.db2.gz XWPOSUJNZFXFOK-CQSZACIVSA-N 1 0 303.793 3.311 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCSC2)c1O ZINC000776231033 623400309 /nfs/dbraw/zinc/40/03/09/623400309.db2.gz FOTUDCPHLGFBQQ-LBPRGKRZSA-N 1 0 316.264 3.448 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000776496711 623435171 /nfs/dbraw/zinc/43/51/71/623435171.db2.gz KZBGJLVMRHJYEQ-GFCCVEGCSA-N 1 0 311.809 3.211 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2(CO)CCCCC2)cc1F ZINC000776497524 623435987 /nfs/dbraw/zinc/43/59/87/623435987.db2.gz JEJYWAYSUYLMQX-UHFFFAOYSA-N 1 0 308.441 3.457 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)ccc1OC ZINC000776498520 623436108 /nfs/dbraw/zinc/43/61/08/623436108.db2.gz NJECHLZOUFWXLY-FSPWUOQZSA-N 1 0 321.461 3.381 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000776769899 623461436 /nfs/dbraw/zinc/46/14/36/623461436.db2.gz ZAUJHYSSKSELBE-GOSISDBHSA-N 1 0 312.413 3.331 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(C)ccc2O)C1 ZINC000776806065 623465871 /nfs/dbraw/zinc/46/58/71/623465871.db2.gz BPAMQSHTLTYZQH-CABCVRRESA-N 1 0 320.433 3.047 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777438416 623524813 /nfs/dbraw/zinc/52/48/13/623524813.db2.gz MLYIGQDIPGWXOG-QGZVFWFLSA-N 1 0 321.779 3.278 20 10 DGCDRO COCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CC[C@H](C)C1 ZINC000790478758 625659186 /nfs/dbraw/zinc/65/91/86/625659186.db2.gz LTIURTFCUZYHMG-DZGCQCFKSA-N 1 0 323.433 3.046 20 10 DGCDRO C[C@@](O)(CC[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000778213196 623626282 /nfs/dbraw/zinc/62/62/82/623626282.db2.gz CXZVWHZMDXKAJI-QGZVFWFLSA-N 1 0 305.805 3.433 20 10 DGCDRO CC1(C)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876619402 623661187 /nfs/dbraw/zinc/66/11/87/623661187.db2.gz WTZOVKJOERPVGX-UHFFFAOYSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(C)ns3)CC2)cc1 ZINC000876631845 623665033 /nfs/dbraw/zinc/66/50/33/623665033.db2.gz XRMNAMVKTHDYDM-UHFFFAOYSA-N 1 0 317.458 3.172 20 10 DGCDRO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c(O)c1 ZINC000876635598 623666086 /nfs/dbraw/zinc/66/60/86/623666086.db2.gz ZFTXPPGEPYGWKM-QGZVFWFLSA-N 1 0 301.386 3.475 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000876652449 623670412 /nfs/dbraw/zinc/67/04/12/623670412.db2.gz CUIJUKHCCCGFJX-AWEZNQCLSA-N 1 0 320.433 3.047 20 10 DGCDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1c(C)cccc1O ZINC000876682718 623681492 /nfs/dbraw/zinc/68/14/92/623681492.db2.gz NOKYHOPUVGGCOY-UHFFFAOYSA-N 1 0 301.415 3.350 20 10 DGCDRO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000876728603 623691170 /nfs/dbraw/zinc/69/11/70/623691170.db2.gz QNSYPAYGQCINTF-CYBMUJFWSA-N 1 0 308.422 3.046 20 10 DGCDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876751359 623696460 /nfs/dbraw/zinc/69/64/60/623696460.db2.gz XIBOHUAWBJPTGH-CVEARBPZSA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000876807469 623710730 /nfs/dbraw/zinc/71/07/30/623710730.db2.gz FASODUOLSUIYHP-RHSMWYFYSA-N 1 0 301.386 3.382 20 10 DGCDRO C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCO1 ZINC000778991589 623717057 /nfs/dbraw/zinc/71/70/57/623717057.db2.gz AQNPFXNPPHPUKK-SOLBZPMBSA-N 1 0 319.445 3.188 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(C)(C)O)c1O ZINC000779041647 623723566 /nfs/dbraw/zinc/72/35/66/623723566.db2.gz WRWPPQMPAGQTME-VHSXEESVSA-N 1 0 316.239 3.273 20 10 DGCDRO C[N@H+](Cc1ccccc1O)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000779032877 623723827 /nfs/dbraw/zinc/72/38/27/623723827.db2.gz LNUBJGLUSFLSNW-UHFFFAOYSA-N 1 0 322.449 3.375 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1cncc(F)c1)C[C@H]1CCCO1 ZINC000779148078 623735307 /nfs/dbraw/zinc/73/53/07/623735307.db2.gz LZCKAWQOHRFVCK-QGZVFWFLSA-N 1 0 316.376 3.108 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCc3cccs3)cc2)CC1 ZINC000876892506 623737834 /nfs/dbraw/zinc/73/78/34/623737834.db2.gz QJSDWEPCIXPNTH-UHFFFAOYSA-N 1 0 316.470 3.042 20 10 DGCDRO Cn1c(C[NH2+]Cc2cc(F)ccc2O)nc2cc(Cl)ccc21 ZINC000779190707 623739955 /nfs/dbraw/zinc/73/99/55/623739955.db2.gz FLZQMSGSKOLPAS-UHFFFAOYSA-N 1 0 319.767 3.361 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000876949503 623752372 /nfs/dbraw/zinc/75/23/72/623752372.db2.gz SDWHLPHLJZCPSW-KRWDZBQOSA-N 1 0 302.393 3.232 20 10 DGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877025990 623769073 /nfs/dbraw/zinc/76/90/73/623769073.db2.gz BZNLNPWQWFEDMW-JCNLHEQBSA-N 1 0 302.462 3.316 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCC3=CCCC3)cc2)CC1 ZINC000877119460 623795091 /nfs/dbraw/zinc/79/50/91/623795091.db2.gz YSDAAQDOCJTNJT-UHFFFAOYSA-N 1 0 300.446 3.238 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000877131358 623799462 /nfs/dbraw/zinc/79/94/62/623799462.db2.gz YKAJIXZEQDZFMH-SCLBCKFNSA-N 1 0 303.377 3.442 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000877308077 623848147 /nfs/dbraw/zinc/84/81/47/623848147.db2.gz OPGVKZKRSJXDHP-UHFFFAOYSA-N 1 0 320.433 3.238 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000790636409 625680730 /nfs/dbraw/zinc/68/07/30/625680730.db2.gz OQVHCJJHBJASFV-UHFFFAOYSA-N 1 0 314.719 3.332 20 10 DGCDRO CC[N@H+](CCC1CC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877353711 623857979 /nfs/dbraw/zinc/85/79/79/623857979.db2.gz VYRDSCLNPWJABR-UHFFFAOYSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000877374860 623861458 /nfs/dbraw/zinc/86/14/58/623861458.db2.gz PRSUDVDJKCGNCR-QGZVFWFLSA-N 1 0 305.805 3.351 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000877458977 623891378 /nfs/dbraw/zinc/89/13/78/623891378.db2.gz DHRXFDMUEILYNS-UKRRQHHQSA-N 1 0 317.351 3.274 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000877476485 623900800 /nfs/dbraw/zinc/90/08/00/623900800.db2.gz FZIXITUIGSEABM-PKOBYXMFSA-N 1 0 315.388 3.096 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(Oc3ccncc3C)CC2)c(O)c1 ZINC000877481333 623902978 /nfs/dbraw/zinc/90/29/78/623902978.db2.gz DPGXGXNQUFFWAX-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877491526 623909190 /nfs/dbraw/zinc/90/91/90/623909190.db2.gz LKOKYELJIHHUCE-WBVHZDCISA-N 1 0 302.462 3.174 20 10 DGCDRO CC1=C(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877495039 623910881 /nfs/dbraw/zinc/91/08/81/623910881.db2.gz RSQHXQNONQPZEH-UHFFFAOYSA-N 1 0 300.446 3.190 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000877533988 623929057 /nfs/dbraw/zinc/92/90/57/623929057.db2.gz YVHRSYUZPMTMBT-AWEZNQCLSA-N 1 0 305.805 3.220 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F ZINC000877538913 623932605 /nfs/dbraw/zinc/93/26/05/623932605.db2.gz HTUCXPJMNVPVCH-CQSZACIVSA-N 1 0 324.415 3.125 20 10 DGCDRO Cc1ccc(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c(O)c1 ZINC000877572915 623948626 /nfs/dbraw/zinc/94/86/26/623948626.db2.gz UEJGXMQFVXRDDL-CYBMUJFWSA-N 1 0 316.367 3.017 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(O)c1 ZINC000877589770 623953522 /nfs/dbraw/zinc/95/35/22/623953522.db2.gz RDIIBTHFQUWWSO-HXUWFJFHSA-N 1 0 323.392 3.311 20 10 DGCDRO CCOC1CC(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000877592411 623954462 /nfs/dbraw/zinc/95/44/62/623954462.db2.gz OTSZJZCWXDQNNI-MDCZIUGASA-N 1 0 304.478 3.397 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](CC(C)C)OC)C2)cc1 ZINC000877598003 623956954 /nfs/dbraw/zinc/95/69/54/623956954.db2.gz FZRBJYIDEDKQPC-APWZRJJASA-N 1 0 320.477 3.172 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877608081 623960356 /nfs/dbraw/zinc/96/03/56/623960356.db2.gz LZLPFNHAKDSTDX-DZGCQCFKSA-N 1 0 305.418 3.301 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]CCC(C)(C)SC)C2)cc1 ZINC000877621486 623966277 /nfs/dbraw/zinc/96/62/77/623966277.db2.gz XTSRFKZVMQVGCK-AWEZNQCLSA-N 1 0 308.491 3.395 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c(O)c1 ZINC000877644084 623975382 /nfs/dbraw/zinc/97/53/82/623975382.db2.gz MBDABXJBGZGDDR-SFHVURJKSA-N 1 0 312.413 3.089 20 10 DGCDRO CCn1nc(C)c(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)c1C ZINC000877664852 623983843 /nfs/dbraw/zinc/98/38/43/623983843.db2.gz WZVZJOONKAPJGS-UHFFFAOYSA-N 1 0 318.440 3.357 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780788957 623985678 /nfs/dbraw/zinc/98/56/78/623985678.db2.gz FJOBXHSJHFCDIP-CQSZACIVSA-N 1 0 301.361 3.432 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCC(Cc2nccs2)CC1 ZINC000877674952 623987918 /nfs/dbraw/zinc/98/79/18/623987918.db2.gz UBVNGZYBNIJWIK-UHFFFAOYSA-N 1 0 318.442 3.312 20 10 DGCDRO CC(=O)Nc1cccc2c1C[N@H+](Cc1cc(C)ccc1O)CC2 ZINC000877681963 623990266 /nfs/dbraw/zinc/99/02/66/623990266.db2.gz UMLYSHJQQKTBOA-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO CCc1cccc(CNc2cnn(C3CC[NH+](C)CC3)c2)c1O ZINC000877686709 623992603 /nfs/dbraw/zinc/99/26/03/623992603.db2.gz VDQHFEVNMJQLLT-UHFFFAOYSA-N 1 0 314.433 3.030 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000877730085 624006648 /nfs/dbraw/zinc/00/66/48/624006648.db2.gz LWYDDUKFINGDII-UHFFFAOYSA-N 1 0 300.358 3.461 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2O)[nH]c1C ZINC000877758194 624023982 /nfs/dbraw/zinc/02/39/82/624023982.db2.gz MEGSCCBIAZUHMF-NSHDSACASA-N 1 0 302.374 3.056 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@H](O)C2CCCC2)c1O ZINC000877777430 624032427 /nfs/dbraw/zinc/03/24/27/624032427.db2.gz AKZVFRYJASVXJA-AWEZNQCLSA-N 1 0 313.825 3.085 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000877820071 624051108 /nfs/dbraw/zinc/05/11/08/624051108.db2.gz GDZWTSBHARCXTN-SMDDNHRTSA-N 1 0 303.324 3.242 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H](C(F)(F)F)O1 ZINC000877824303 624056651 /nfs/dbraw/zinc/05/66/51/624056651.db2.gz QZMCXEYPRADATI-ZANVPECISA-N 1 0 307.287 3.073 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[N@H+](C)Cc2ccc[nH]2)c1 ZINC000781907088 624169183 /nfs/dbraw/zinc/16/91/83/624169183.db2.gz DGFAJSXWICXMHR-UHFFFAOYSA-N 1 0 309.207 3.423 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC4(CCC4)C3)c2c1 ZINC000129638053 625708963 /nfs/dbraw/zinc/70/89/63/625708963.db2.gz QCULHCOFKHNFHL-UHFFFAOYSA-N 1 0 313.397 3.309 20 10 DGCDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000783718026 624387039 /nfs/dbraw/zinc/38/70/39/624387039.db2.gz NPOBIYNUAZPZCV-OAHLLOKOSA-N 1 0 316.367 3.296 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)[C@H]2CCCCO2)c1O ZINC000879410650 624538172 /nfs/dbraw/zinc/53/81/72/624538172.db2.gz YSCVMBYBQZRZTA-OAHLLOKOSA-N 1 0 309.381 3.171 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](CCOC)Cc2ccco2)c1O ZINC000784624677 624560251 /nfs/dbraw/zinc/56/02/51/624560251.db2.gz FUVHAASFBXIBTB-HNNXBMFYSA-N 1 0 319.401 3.121 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000784625968 624560304 /nfs/dbraw/zinc/56/03/04/624560304.db2.gz SEYPLFVGBKIADZ-INIZCTEOSA-N 1 0 302.418 3.083 20 10 DGCDRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)sc1C ZINC000879648454 624620951 /nfs/dbraw/zinc/62/09/51/624620951.db2.gz PXCNXJZHDWYRFN-GHMZBOCLSA-N 1 0 319.430 3.143 20 10 DGCDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648600 624620998 /nfs/dbraw/zinc/62/09/98/624620998.db2.gz VRJUHOXNCRRVID-CHWSQXEVSA-N 1 0 314.385 3.079 20 10 DGCDRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)sc1C ZINC000879648455 624621049 /nfs/dbraw/zinc/62/10/49/624621049.db2.gz PXCNXJZHDWYRFN-MNOVXSKESA-N 1 0 319.430 3.143 20 10 DGCDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648899 624622837 /nfs/dbraw/zinc/62/28/37/624622837.db2.gz FVSABJYJMPTMMX-HZPDHXFCSA-N 1 0 315.413 3.100 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N(C)C1CCCCC1 ZINC000879648778 624623017 /nfs/dbraw/zinc/62/30/17/624623017.db2.gz DGYJYGCCIPXEHB-ZIAGYGMSSA-N 1 0 304.434 3.222 20 10 DGCDRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649750 624623022 /nfs/dbraw/zinc/62/30/22/624623022.db2.gz UCFNYDQDEGDIJY-CABCVRRESA-N 1 0 312.413 3.056 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1O ZINC000879649163 624623193 /nfs/dbraw/zinc/62/31/93/624623193.db2.gz KBBIKOKXJJCUHR-CVEARBPZSA-N 1 0 324.424 3.205 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1CCCc2ccccc21 ZINC000879652007 624624598 /nfs/dbraw/zinc/62/45/98/624624598.db2.gz SWXCBDMROIEUPZ-GJZGRUSLSA-N 1 0 324.424 3.411 20 10 DGCDRO COc1cccc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879650737 624624712 /nfs/dbraw/zinc/62/47/12/624624712.db2.gz QMCIKJTZNCMNLF-ZDUSSCGKSA-N 1 0 314.385 3.080 20 10 DGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1O ZINC000879651978 624624726 /nfs/dbraw/zinc/62/47/26/624624726.db2.gz RPNFNBARLZOHRF-ZDUSSCGKSA-N 1 0 310.397 3.170 20 10 DGCDRO C[C@H]([NH2+]CC(=O)NC1CCCCCCC1)c1ccccc1O ZINC000879653493 624626762 /nfs/dbraw/zinc/62/67/62/624626762.db2.gz QHSUAEWJWZWPLB-AWEZNQCLSA-N 1 0 304.434 3.272 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000785883157 624749145 /nfs/dbraw/zinc/74/91/45/624749145.db2.gz KZOFHJRCBAJUSS-UHFFFAOYSA-N 1 0 322.412 3.111 20 10 DGCDRO CO[C@H](CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000786953862 624967052 /nfs/dbraw/zinc/96/70/52/624967052.db2.gz NPYOILYRWTZALZ-SMDDNHRTSA-N 1 0 304.356 3.371 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)COc2ccccc2)c(O)c1 ZINC000788507888 625201612 /nfs/dbraw/zinc/20/16/12/625201612.db2.gz SUPYIOADKVMTRN-HOTGVXAUSA-N 1 0 315.413 3.100 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)c1ccccc1 ZINC000788541968 625212505 /nfs/dbraw/zinc/21/25/05/625212505.db2.gz ZZBXFQWLJRCFJU-PMACEKPBSA-N 1 0 311.425 3.469 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)cc1 ZINC000130365009 625843453 /nfs/dbraw/zinc/84/34/53/625843453.db2.gz VXWKNUJAXBEHHC-LPHOPBHVSA-N 1 0 312.457 3.397 20 10 DGCDRO CCC[N@H+](CC(=O)N1CCCCCC1)Cc1ccccc1O ZINC000130725658 625896746 /nfs/dbraw/zinc/89/67/46/625896746.db2.gz LDRPNJLETIEFIB-UHFFFAOYSA-N 1 0 304.434 3.007 20 10 DGCDRO CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883073513 625917317 /nfs/dbraw/zinc/91/73/17/625917317.db2.gz SAGIVFQELOCCJN-CYBMUJFWSA-N 1 0 312.404 3.128 20 10 DGCDRO CCOc1cccc(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c1O ZINC000792192313 625923045 /nfs/dbraw/zinc/92/30/45/625923045.db2.gz HQBYSARVRFZAAN-GDBMZVCRSA-N 1 0 307.434 3.428 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c1 ZINC000792193714 625923554 /nfs/dbraw/zinc/92/35/54/625923554.db2.gz YXNQRLQVCUCZRG-GDBMZVCRSA-N 1 0 307.434 3.428 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000883104455 625929449 /nfs/dbraw/zinc/92/94/49/625929449.db2.gz AEJNQUHRNOWRBP-CQSZACIVSA-N 1 0 305.324 3.023 20 10 DGCDRO Cc1ccnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000792278364 625932864 /nfs/dbraw/zinc/93/28/64/625932864.db2.gz YPLJTOOCEOWVID-MRXNPFEDSA-N 1 0 311.429 3.077 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@](C)(O)c1ccccc1 ZINC000883157948 625946847 /nfs/dbraw/zinc/94/68/47/625946847.db2.gz PHDVRSFOWDYLNR-PIGZYNQJSA-N 1 0 307.340 3.056 20 10 DGCDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796311235 626037655 /nfs/dbraw/zinc/03/76/55/626037655.db2.gz VYNCZXYAKJENPV-IRXDYDNUSA-N 1 0 324.468 3.356 20 10 DGCDRO CC(C)(CO)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796335474 626039448 /nfs/dbraw/zinc/03/94/48/626039448.db2.gz UMEUGYVIXFHVOA-UHFFFAOYSA-N 1 0 324.468 3.357 20 10 DGCDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000796480081 626054925 /nfs/dbraw/zinc/05/49/25/626054925.db2.gz CAUCIFYFDBPWRW-KUHUBIRLSA-N 1 0 316.420 3.412 20 10 DGCDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000796498811 626056639 /nfs/dbraw/zinc/05/66/39/626056639.db2.gz YDGGZXFYOMRKQJ-WMZOPIPTSA-N 1 0 302.462 3.439 20 10 DGCDRO CCOc1ccc(C[NH2+]CC2(c3ccccn3)CCC2)c(O)c1 ZINC000796515455 626058094 /nfs/dbraw/zinc/05/80/94/626058094.db2.gz VSGPJGIMDHSEIP-UHFFFAOYSA-N 1 0 312.413 3.397 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000797020637 626104971 /nfs/dbraw/zinc/10/49/71/626104971.db2.gz WMFNZMQCOSMQSU-XIKOKIGWSA-N 1 0 303.377 3.478 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccccc1O ZINC000797132152 626116949 /nfs/dbraw/zinc/11/69/49/626116949.db2.gz KQPPVOSFQDDIGI-LRTDBIEQSA-N 1 0 303.427 3.122 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000798491538 626220376 /nfs/dbraw/zinc/22/03/76/626220376.db2.gz AORPQRUTOFJVSI-OKZBNKHCSA-N 1 0 302.462 3.438 20 10 DGCDRO c1cc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc2c1OCC2 ZINC000798494813 626220763 /nfs/dbraw/zinc/22/07/63/626220763.db2.gz SXVKHDBKGBFYKI-CGTJXYLNSA-N 1 0 301.430 3.306 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN(C)CCC[NH+]2CCCC2)c1O ZINC000799174145 626277357 /nfs/dbraw/zinc/27/73/57/626277357.db2.gz CIXLMWJHYHRXME-UHFFFAOYSA-N 1 0 324.852 3.166 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000799336576 626291841 /nfs/dbraw/zinc/29/18/41/626291841.db2.gz OIBMYOOAOINWTK-UHFFFAOYSA-N 1 0 312.339 3.093 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c1 ZINC000799732429 626325848 /nfs/dbraw/zinc/32/58/48/626325848.db2.gz YOETUJGNJQBMAD-HOCLYGCPSA-N 1 0 315.413 3.045 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C12CCC2 ZINC000799733215 626325944 /nfs/dbraw/zinc/32/59/44/626325944.db2.gz CHVRINIGLCUYKA-IAGOWNOFSA-N 1 0 306.425 3.329 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)c(O)c1 ZINC000800294073 626349280 /nfs/dbraw/zinc/34/92/80/626349280.db2.gz VRSSYYJXVBRNNS-QGZVFWFLSA-N 1 0 305.418 3.230 20 10 DGCDRO O=c1ccccn1C[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000800313233 626350930 /nfs/dbraw/zinc/35/09/30/626350930.db2.gz IYNJFINSBGZLPB-GOSISDBHSA-N 1 0 320.392 3.085 20 10 DGCDRO C[C@H](CCO)[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800493771 626364929 /nfs/dbraw/zinc/36/49/29/626364929.db2.gz QHKOPPKWJMSAJJ-UONOGXRCSA-N 1 0 310.869 3.437 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000800535803 626366852 /nfs/dbraw/zinc/36/68/52/626366852.db2.gz HZBUBVJUQBMTEZ-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000800968476 626387264 /nfs/dbraw/zinc/38/72/64/626387264.db2.gz OUARFKQFNUVGHX-MOPGFXCFSA-N 1 0 300.446 3.192 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)Cc1nc(CC)cc(=O)[nH]1 ZINC000801596367 626411370 /nfs/dbraw/zinc/41/13/70/626411370.db2.gz WUDVLTGDEVCTCW-UHFFFAOYSA-N 1 0 315.417 3.253 20 10 DGCDRO CCCC[N@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1O ZINC000802657441 626565182 /nfs/dbraw/zinc/56/51/82/626565182.db2.gz DROATWVKTYSCJL-UHFFFAOYSA-N 1 0 316.401 3.309 20 10 DGCDRO COc1ccc2c(c1)OCCN(Cc1c(O)cccc1Cl)C2 ZINC000802659863 626565818 /nfs/dbraw/zinc/56/58/18/626565818.db2.gz YGKAOMHHRNHGDO-UHFFFAOYSA-N 1 0 319.788 3.449 20 10 DGCDRO c1cc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)sn1 ZINC000883241698 626620898 /nfs/dbraw/zinc/62/08/98/626620898.db2.gz ICMSIECLBDYAOH-UHFFFAOYSA-N 1 0 301.459 3.466 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883246855 626622625 /nfs/dbraw/zinc/62/26/25/626622625.db2.gz UBVAQEIQVJUHOM-HUUCEWRRSA-N 1 0 304.409 3.279 20 10 DGCDRO CC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC(F)(F)C1 ZINC000883250735 626624357 /nfs/dbraw/zinc/62/43/57/626624357.db2.gz LMDWXCMLFZTABY-UHFFFAOYSA-N 1 0 324.415 3.173 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(-n2ccnn2)c1 ZINC000806138204 626701021 /nfs/dbraw/zinc/70/10/21/626701021.db2.gz XADOZTCDECPWJH-CQSZACIVSA-N 1 0 320.396 3.053 20 10 DGCDRO CC[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000132906838 626749685 /nfs/dbraw/zinc/74/96/85/626749685.db2.gz OJOUYAGMFBTHSP-MRXNPFEDSA-N 1 0 321.465 3.318 20 10 DGCDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C1=CC(=O)CS1)[NH+](C)C ZINC000807491712 626758690 /nfs/dbraw/zinc/75/86/90/626758690.db2.gz ADSRFQUZTUABJE-MLGOLLRUSA-N 1 0 318.442 3.183 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000808430622 626823579 /nfs/dbraw/zinc/82/35/79/626823579.db2.gz IDPQSJGWJVDKQP-HNNXBMFYSA-N 1 0 305.805 3.220 20 10 DGCDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808693233 626849844 /nfs/dbraw/zinc/84/98/44/626849844.db2.gz WGPYOSGLSBZTRA-LBPRGKRZSA-N 1 0 324.852 3.263 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOC[C@H]2CCOC2)c1O ZINC000808695535 626850361 /nfs/dbraw/zinc/85/03/61/626850361.db2.gz OANOFMCZKVWLBA-STQMWFEESA-N 1 0 313.825 3.058 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)c1O ZINC000808703784 626851044 /nfs/dbraw/zinc/85/10/44/626851044.db2.gz WFVHLNLOEZTETC-STQMWFEESA-N 1 0 323.820 3.449 20 10 DGCDRO COC1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CCOCC1 ZINC000808708388 626851557 /nfs/dbraw/zinc/85/15/57/626851557.db2.gz LPFNKOJORLKNQZ-LBPRGKRZSA-N 1 0 313.825 3.200 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)c1O ZINC000808706833 626851823 /nfs/dbraw/zinc/85/18/23/626851823.db2.gz VYUVASWAIVIZHU-FDMGOTLNSA-N 1 0 303.855 3.162 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000808710416 626852310 /nfs/dbraw/zinc/85/23/10/626852310.db2.gz PVJAFYIFIFZMPU-LLVKDONJSA-N 1 0 320.824 3.061 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCNC(=O)C(C)C)c1O ZINC000808709811 626852356 /nfs/dbraw/zinc/85/23/56/626852356.db2.gz ZPZFPULYGAQLLX-LBPRGKRZSA-N 1 0 312.841 3.167 20 10 DGCDRO COc1cc(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c(O)cc1C ZINC000840143656 626857059 /nfs/dbraw/zinc/85/70/59/626857059.db2.gz WERQOAUXDSAHEL-IRXDYDNUSA-N 1 0 305.418 3.099 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884305584 626862558 /nfs/dbraw/zinc/86/25/58/626862558.db2.gz ALIXRGUTSBGOBG-KRWDZBQOSA-N 1 0 319.493 3.111 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]([C@H]3CCCO3)C1)CCCC2 ZINC000884481522 626887675 /nfs/dbraw/zinc/88/76/75/626887675.db2.gz MCLIOJMSGPYJBT-QFBILLFUSA-N 1 0 301.430 3.272 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H]3CCCO3)C1)CCCC2 ZINC000884481521 626888032 /nfs/dbraw/zinc/88/80/32/626888032.db2.gz MCLIOJMSGPYJBT-LPHOPBHVSA-N 1 0 301.430 3.272 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809578743 626922675 /nfs/dbraw/zinc/92/26/75/626922675.db2.gz PPYZZVOOGCJYMF-FQEVSTJZSA-N 1 0 322.452 3.470 20 10 DGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)cc(C)c2O)C1 ZINC000809692996 626937563 /nfs/dbraw/zinc/93/75/63/626937563.db2.gz LGRUPPGBFXMKGF-BETUJISGSA-N 1 0 314.223 3.072 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c(O)c1 ZINC000809700706 626938721 /nfs/dbraw/zinc/93/87/21/626938721.db2.gz MWNAIOJHIWETMY-GOEBONIOSA-N 1 0 307.434 3.306 20 10 DGCDRO CN(C)c1ccc(CN(C)CCC[NH+](C)C)c(C(F)(F)F)c1 ZINC000809729654 626942328 /nfs/dbraw/zinc/94/23/28/626942328.db2.gz NHMRLHKBZDQEGN-UHFFFAOYSA-N 1 0 317.399 3.155 20 10 DGCDRO COc1cccc(C[N@H+](CCN(C)C)CC2CCCCC2)c1O ZINC000809736691 626943664 /nfs/dbraw/zinc/94/36/64/626943664.db2.gz GBORHXANGKHYKE-UHFFFAOYSA-N 1 0 320.477 3.345 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809767273 626949331 /nfs/dbraw/zinc/94/93/31/626949331.db2.gz IGEDZAPEOSWXKV-INIZCTEOSA-N 1 0 307.397 3.407 20 10 DGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809768066 626949850 /nfs/dbraw/zinc/94/98/50/626949850.db2.gz BJICKYNCINSRST-GDBMZVCRSA-N 1 0 306.425 3.425 20 10 DGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809768068 626949915 /nfs/dbraw/zinc/94/99/15/626949915.db2.gz BJICKYNCINSRST-HOCLYGCPSA-N 1 0 306.425 3.425 20 10 DGCDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000809767813 626949956 /nfs/dbraw/zinc/94/99/56/626949956.db2.gz UYAGFUAUQVWIQB-MRXNPFEDSA-N 1 0 308.491 3.097 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000809779034 626951203 /nfs/dbraw/zinc/95/12/03/626951203.db2.gz BJXUZFBYFRHFHM-HNNXBMFYSA-N 1 0 305.805 3.220 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000809779512 626951593 /nfs/dbraw/zinc/95/15/93/626951593.db2.gz PQOUNQZORCDWTI-CYBMUJFWSA-N 1 0 309.768 3.050 20 10 DGCDRO CC[C@@H]([NH2+]CCc1nnc(C)s1)c1cc(Cl)ccc1O ZINC000810243564 626991607 /nfs/dbraw/zinc/99/16/07/626991607.db2.gz QFUDLXZTMNJMLI-GFCCVEGCSA-N 1 0 311.838 3.489 20 10 DGCDRO Cc1nnc(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000810243368 626991808 /nfs/dbraw/zinc/99/18/08/626991808.db2.gz NQQPUMQTCQXDJR-KCJUWKMLSA-N 1 0 307.394 3.072 20 10 DGCDRO CC[C@H]([NH2+]Cc1cncn1C)c1ccc(C(F)(F)F)cc1O ZINC000810243645 626991989 /nfs/dbraw/zinc/99/19/89/626991989.db2.gz SJBIXBIZJHQUGX-ZDUSSCGKSA-N 1 0 313.323 3.385 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(Cl)ccc1O ZINC000810254766 626993137 /nfs/dbraw/zinc/99/31/37/626993137.db2.gz RATAAMQJJXUWJW-WCQYABFASA-N 1 0 305.809 3.367 20 10 DGCDRO Cc1coc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000885941104 627065151 /nfs/dbraw/zinc/06/51/51/627065151.db2.gz ZYQMSTWPJQUBCK-UHFFFAOYSA-N 1 0 314.429 3.087 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2C[C@@]23CCOC3)C2CC2)cc1 ZINC000885960774 627070681 /nfs/dbraw/zinc/07/06/81/627070681.db2.gz PHBWCFSUJZJTAL-QFBILLFUSA-N 1 0 300.446 3.144 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1C[C@@]12CCOC2 ZINC000886064743 627097525 /nfs/dbraw/zinc/09/75/25/627097525.db2.gz HPNJGSGKZZPCKE-QFBILLFUSA-N 1 0 313.397 3.414 20 10 DGCDRO COc1cccc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1O ZINC000886345214 627140891 /nfs/dbraw/zinc/14/08/91/627140891.db2.gz UUBACHALMHYHDB-QGZVFWFLSA-N 1 0 305.418 3.230 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCc4cccnc43)C2)cc1 ZINC000886628081 627176790 /nfs/dbraw/zinc/17/67/90/627176790.db2.gz FIBNZTCHZULXNW-DNVCBOLYSA-N 1 0 323.440 3.194 20 10 DGCDRO C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1c([O-])cccc1F ZINC000886641245 627178429 /nfs/dbraw/zinc/17/84/29/627178429.db2.gz DMCLSEIDKWFIFX-QMMMGPOBSA-N 1 0 317.286 3.134 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c(O)c1C ZINC000886764203 627201668 /nfs/dbraw/zinc/20/16/68/627201668.db2.gz NLNDPXAOIVLZQT-QBWPOKONSA-N 1 0 319.445 3.386 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1)c1ccc(C)cc1O ZINC000886766890 627202189 /nfs/dbraw/zinc/20/21/89/627202189.db2.gz UEIAXASVZSZDGY-RIVXBTQJSA-N 1 0 319.445 3.468 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CC3(SC)CCC3)CC2)cc1 ZINC000811458312 627276972 /nfs/dbraw/zinc/27/69/72/627276972.db2.gz SVZIQZFWLMCZRB-UHFFFAOYSA-N 1 0 320.502 3.493 20 10 DGCDRO COc1ccc(O)c(CN2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000811508490 627283507 /nfs/dbraw/zinc/28/35/07/627283507.db2.gz SEQICDXBZGRDAN-KRWDZBQOSA-N 1 0 324.424 3.385 20 10 DGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000811511229 627284727 /nfs/dbraw/zinc/28/47/27/627284727.db2.gz FXNUPEGWJPTBGH-GFCCVEGCSA-N 1 0 314.857 3.264 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1O ZINC000811513588 627286144 /nfs/dbraw/zinc/28/61/44/627286144.db2.gz XLCMVFWGANEPAV-GOSISDBHSA-N 1 0 308.425 3.338 20 10 DGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1[C@H]1CCCO1 ZINC000811778265 627320621 /nfs/dbraw/zinc/32/06/21/627320621.db2.gz LDVMLJAVNVRNMM-QZTJIDSGSA-N 1 0 301.430 3.270 20 10 DGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1[C@@H]1CCCO1 ZINC000811778269 627320803 /nfs/dbraw/zinc/32/08/03/627320803.db2.gz LDVMLJAVNVRNMM-ZWKOTPCHSA-N 1 0 301.430 3.270 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000811803031 627322604 /nfs/dbraw/zinc/32/26/04/627322604.db2.gz GRJQAYUEYBBFSC-OAHLLOKOSA-N 1 0 305.809 3.306 20 10 DGCDRO CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@@H](C)OC ZINC000812303311 627369258 /nfs/dbraw/zinc/36/92/58/627369258.db2.gz OKPCTQYYKOTSTF-CYBMUJFWSA-N 1 0 303.402 3.411 20 10 DGCDRO COCC[C@@H]1COCC[N@@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000812302387 627369275 /nfs/dbraw/zinc/36/92/75/627369275.db2.gz WNKKIANIRQHMRS-MRXNPFEDSA-N 1 0 321.461 3.235 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH+]2CC(C3CC3)C2)ccc1N1CCCCC1 ZINC000812775213 627418867 /nfs/dbraw/zinc/41/88/67/627418867.db2.gz JGTGZIWVDAZBRC-UHFFFAOYSA-N 1 0 315.417 3.427 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c1 ZINC000813330616 627478254 /nfs/dbraw/zinc/47/82/54/627478254.db2.gz BDIIIEGQPXTCLS-GFCCVEGCSA-N 1 0 303.406 3.203 20 10 DGCDRO Fc1ccccc1N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000813792255 627512360 /nfs/dbraw/zinc/51/23/60/627512360.db2.gz UILHTUXVPIGZNE-INIZCTEOSA-N 1 0 312.388 3.129 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1 ZINC000814169055 627546100 /nfs/dbraw/zinc/54/61/00/627546100.db2.gz CPKGLQVLMBFVFR-KRWDZBQOSA-N 1 0 307.434 3.068 20 10 DGCDRO Cc1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)ccc1N(C)C ZINC000815018066 627616966 /nfs/dbraw/zinc/61/69/66/627616966.db2.gz FCIGICFJAJDPJS-SFHVURJKSA-N 1 0 301.478 3.121 20 10 DGCDRO Cc1ccnc(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)c1 ZINC000815061863 627621465 /nfs/dbraw/zinc/62/14/65/627621465.db2.gz KIYJWPXNRLKUQA-UHFFFAOYSA-N 1 0 324.472 3.087 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)cc1O ZINC000815060511 627621489 /nfs/dbraw/zinc/62/14/89/627621489.db2.gz VEALFLWFKQDFSK-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO Cc1cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)ccc1N(C)C ZINC000815074245 627623060 /nfs/dbraw/zinc/62/30/60/627623060.db2.gz NEQMWYOBLKLCNY-SFHVURJKSA-N 1 0 312.461 3.304 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1N(C)C ZINC000815103705 627626675 /nfs/dbraw/zinc/62/66/75/627626675.db2.gz SEMFKZPTJWBEHB-GOSISDBHSA-N 1 0 311.429 3.109 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000815103966 627627008 /nfs/dbraw/zinc/62/70/08/627627008.db2.gz WREUTPSUTNIBHP-LJQANCHMSA-N 1 0 311.429 3.191 20 10 DGCDRO Cc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1N(C)C ZINC000815118665 627629685 /nfs/dbraw/zinc/62/96/85/627629685.db2.gz QYRMEVIPPBEJTF-APWZRJJASA-N 1 0 301.478 3.120 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1cc[nH]c(=O)c1 ZINC000815148065 627637656 /nfs/dbraw/zinc/63/76/56/627637656.db2.gz KSZIBEMIWFJLEF-VIFPVBQESA-N 1 0 323.190 3.106 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)cc1 ZINC000815255209 627651704 /nfs/dbraw/zinc/65/17/04/627651704.db2.gz SEZGJXOGBJFCCE-SFHVURJKSA-N 1 0 304.478 3.420 20 10 DGCDRO CSC1CC([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000924708852 627670947 /nfs/dbraw/zinc/67/09/47/627670947.db2.gz SFHZQTZBUHHFAE-UHFFFAOYSA-N 1 0 308.516 3.223 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c(O)c1 ZINC000815557467 627684840 /nfs/dbraw/zinc/68/48/40/627684840.db2.gz VMPSYUYEULNMET-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c(O)c1 ZINC000815596552 627689097 /nfs/dbraw/zinc/68/90/97/627689097.db2.gz XOQKQNKCLNVQEV-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815627812 627693023 /nfs/dbraw/zinc/69/30/23/627693023.db2.gz KEFQACVOZNQIIL-WDEREUQCSA-N 1 0 304.356 3.259 20 10 DGCDRO COc1ccnc([C@@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000925104415 627708671 /nfs/dbraw/zinc/70/86/71/627708671.db2.gz ZAPPGSCKHLBYBL-LLVKDONJSA-N 1 0 309.460 3.380 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1[O-] ZINC000925779622 627793836 /nfs/dbraw/zinc/79/38/36/627793836.db2.gz YPOKQIRQSBSAOZ-GWCFXTLKSA-N 1 0 318.795 3.331 20 10 DGCDRO O=C(NC1CC[NH+](Cc2ccc3ccccc3c2O)CC1)C1CC1 ZINC000816484152 627796573 /nfs/dbraw/zinc/79/65/73/627796573.db2.gz QZKVVMZFJHFLBS-UHFFFAOYSA-N 1 0 324.424 3.036 20 10 DGCDRO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816517467 627799612 /nfs/dbraw/zinc/79/96/12/627799612.db2.gz QQIYJLFFMMZLKC-INIZCTEOSA-N 1 0 308.385 3.011 20 10 DGCDRO NC(=O)CCC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816514234 627799872 /nfs/dbraw/zinc/79/98/72/627799872.db2.gz QODNXTLVVBIFNB-UHFFFAOYSA-N 1 0 312.413 3.023 20 10 DGCDRO OC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)Cc1ccccc1 ZINC000816538028 627803908 /nfs/dbraw/zinc/80/39/08/627803908.db2.gz BQEINPVDGGELBR-KRWDZBQOSA-N 1 0 321.420 3.486 20 10 DGCDRO C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816554811 627806720 /nfs/dbraw/zinc/80/67/20/627806720.db2.gz JRVSQAMWKUHYON-NEPJUHHUSA-N 1 0 300.805 3.147 20 10 DGCDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594944 627812194 /nfs/dbraw/zinc/81/21/94/627812194.db2.gz UDHVTCIPOQMTHF-PWSUYJOCSA-N 1 0 301.789 3.310 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](O)CC2)c(C(F)(F)F)c1 ZINC000816667628 627823605 /nfs/dbraw/zinc/82/36/05/627823605.db2.gz RWFKVYYEUDQBAY-AWEZNQCLSA-N 1 0 316.367 3.118 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000816667800 627823849 /nfs/dbraw/zinc/82/38/49/627823849.db2.gz XHQNBFUHIKLJMR-MRXNPFEDSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)C2CC(OC(C)(C)C)C2)cc1OC ZINC000817374296 627891171 /nfs/dbraw/zinc/89/11/71/627891171.db2.gz WBFRQPSBDKHROV-UHFFFAOYSA-N 1 0 323.433 3.187 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)cc1 ZINC000817413103 627895824 /nfs/dbraw/zinc/89/58/24/627895824.db2.gz UBLBPXSPHPXGCO-GOSISDBHSA-N 1 0 317.477 3.023 20 10 DGCDRO C[NH+](C)C1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000817415901 627897368 /nfs/dbraw/zinc/89/73/68/627897368.db2.gz ADIJBSOPUZVMSQ-UHFFFAOYSA-N 1 0 300.805 3.147 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926595621 627919970 /nfs/dbraw/zinc/91/99/70/627919970.db2.gz JPYMENBQTLGVAU-CABCVRRESA-N 1 0 313.445 3.443 20 10 DGCDRO CCCN1C[C@H](C[NH2+][C@@H](CC)c2cc(Cl)ccc2O)CC1=O ZINC000817588166 627927309 /nfs/dbraw/zinc/92/73/09/627927309.db2.gz CJQJOYMHHUHWDT-WFASDCNBSA-N 1 0 324.852 3.345 20 10 DGCDRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817940075 627967599 /nfs/dbraw/zinc/96/75/99/627967599.db2.gz DDSGCTXGUGVHHZ-SJLPKXTDSA-N 1 0 301.478 3.470 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817939033 627967963 /nfs/dbraw/zinc/96/79/63/627967963.db2.gz XZISWMMIWWMLIE-IFXJQAMLSA-N 1 0 313.445 3.112 20 10 DGCDRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817940098 627967976 /nfs/dbraw/zinc/96/79/76/627967976.db2.gz DWVDMLQDCUKJJZ-GDBMZVCRSA-N 1 0 305.441 3.219 20 10 DGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1Cl ZINC000817941935 627968326 /nfs/dbraw/zinc/96/83/26/627968326.db2.gz LUNGQRWIAAOAGU-BLLLJJGKSA-N 1 0 318.852 3.152 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCC23CCCC3)cc1 ZINC000817943312 627969608 /nfs/dbraw/zinc/96/96/08/627969608.db2.gz UGXQBZACARFFNA-ZWKOTPCHSA-N 1 0 301.478 3.455 20 10 DGCDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc(N2CCCCC2)cc1 ZINC000817945851 627970358 /nfs/dbraw/zinc/97/03/58/627970358.db2.gz NINLLWDPKPRFBX-FUHWJXTLSA-N 1 0 301.478 3.470 20 10 DGCDRO CC[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817953814 627973345 /nfs/dbraw/zinc/97/33/45/627973345.db2.gz RSMBPXVOTJZVLA-YPMHNXCESA-N 1 0 302.340 3.204 20 10 DGCDRO C[C@@H](NCC[NH2+]C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817953752 627973652 /nfs/dbraw/zinc/97/36/52/627973652.db2.gz QLCWXWULDYSBEV-CQSZACIVSA-N 1 0 305.441 3.219 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CN1Cc1ccccc1 ZINC000817956088 627974098 /nfs/dbraw/zinc/97/40/98/627974098.db2.gz QJFBETRHANTCJI-JXFKEZNVSA-N 1 0 309.457 3.064 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955133 627974107 /nfs/dbraw/zinc/97/41/07/627974107.db2.gz QTMQFUJSTOSYKQ-ZJUUUORDSA-N 1 0 303.233 3.349 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cnn(Cc2ccccc2)c1 ZINC000817956206 627974310 /nfs/dbraw/zinc/97/43/10/627974310.db2.gz TVDVSXVAPJQWPO-INIZCTEOSA-N 1 0 320.440 3.407 20 10 DGCDRO CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817957556 627974651 /nfs/dbraw/zinc/97/46/51/627974651.db2.gz CVYPMLZFZYGNAD-JQWIXIFHSA-N 1 0 315.255 3.179 20 10 DGCDRO COC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000817957500 627974964 /nfs/dbraw/zinc/97/49/64/627974964.db2.gz MLCXWSYVQNFWTL-KRWDZBQOSA-N 1 0 304.821 3.442 20 10 DGCDRO CC(C)[C@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817958109 627975131 /nfs/dbraw/zinc/97/51/31/627975131.db2.gz HPZIUCQUSHYZHD-WMLDXEAASA-N 1 0 307.457 3.450 20 10 DGCDRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817958105 627975176 /nfs/dbraw/zinc/97/51/76/627975176.db2.gz HPZIUCQUSHYZHD-PBHICJAKSA-N 1 0 307.457 3.450 20 10 DGCDRO CCCC[C@H](CN)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817961679 627976023 /nfs/dbraw/zinc/97/60/23/627976023.db2.gz CGVNXSPYRLWYEF-CMPLNLGQSA-N 1 0 315.255 3.323 20 10 DGCDRO Cc1cc(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)nn1C ZINC000926910143 627977305 /nfs/dbraw/zinc/97/73/05/627977305.db2.gz JPLXQCPAYIEBNM-AWEZNQCLSA-N 1 0 313.445 3.206 20 10 DGCDRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817967210 627977937 /nfs/dbraw/zinc/97/79/37/627977937.db2.gz FOCKMFTUGGSIET-VKJFTORMSA-N 1 0 319.468 3.465 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817970389 627978559 /nfs/dbraw/zinc/97/85/59/627978559.db2.gz UKPWNVZTZZOBQW-AXFHLTTASA-N 1 0 302.340 3.332 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(N2CCCCCC2)cc1 ZINC000817977039 627981469 /nfs/dbraw/zinc/98/14/69/627981469.db2.gz ZQLMVIVQRFNEKJ-NJAFHUGGSA-N 1 0 319.468 3.418 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)N[C@H]2C[NH2+]CCC2(F)F)c1O ZINC000817981879 627982298 /nfs/dbraw/zinc/98/22/98/627982298.db2.gz WNAWLRVPZWIJMZ-CABZTGNLSA-N 1 0 304.768 3.002 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817980648 627982556 /nfs/dbraw/zinc/98/25/56/627982556.db2.gz CTVBCHSPQPVSIL-GUBZILKMSA-N 1 0 303.233 3.477 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1 ZINC000926923592 627982867 /nfs/dbraw/zinc/98/28/67/627982867.db2.gz WRWQQGNPDBHZJH-CHWSQXEVSA-N 1 0 316.367 3.378 20 10 DGCDRO C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(F)cc1[O-] ZINC000817983364 627983387 /nfs/dbraw/zinc/98/33/87/627983387.db2.gz ATJQBKSFJTVFNL-SYTRPRECSA-N 1 0 318.436 3.336 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(N(C)C)cc1 ZINC000926940264 627985664 /nfs/dbraw/zinc/98/56/64/627985664.db2.gz JGZPAFAVHKIVNZ-NBMJBFSESA-N 1 0 300.446 3.384 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2)n1 ZINC000927046351 628002133 /nfs/dbraw/zinc/00/21/33/628002133.db2.gz BJYKZSYCEGCEQA-DMDPSCGWSA-N 1 0 319.380 3.464 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c(O)c1C ZINC000927059939 628004962 /nfs/dbraw/zinc/00/49/62/628004962.db2.gz HETNQXSVFKVJTO-XOUADPBQSA-N 1 0 305.418 3.342 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccccc3O)C2)cc1 ZINC000818220850 628006487 /nfs/dbraw/zinc/00/64/87/628006487.db2.gz NAXCCVHGEOASAD-OAHLLOKOSA-N 1 0 312.413 3.017 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000818231969 628007625 /nfs/dbraw/zinc/00/76/25/628007625.db2.gz ZFXNATAGRXYMGM-WOJBJXKFSA-N 1 0 310.441 3.326 20 10 DGCDRO CCOCCOCC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000927086632 628011235 /nfs/dbraw/zinc/01/12/35/628011235.db2.gz HKLKNKFJXROGBC-AWEZNQCLSA-N 1 0 301.814 3.139 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC3)nn2C)c2c1c(F)ccc2O ZINC000927100733 628014182 /nfs/dbraw/zinc/01/41/82/628014182.db2.gz JBLWBGWAHCOYNO-BMIGLBTASA-N 1 0 315.392 3.480 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)[C@@]3(C)CCCO3)C2)cc1 ZINC000818343181 628015611 /nfs/dbraw/zinc/01/56/11/628015611.db2.gz ZBKAGAATRISUCD-FRQCXROJSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cscn3)C2)cc1 ZINC000818342522 628015740 /nfs/dbraw/zinc/01/57/40/628015740.db2.gz SCNKEFKIHPKGSP-KGLIPLIRSA-N 1 0 317.458 3.329 20 10 DGCDRO CCCC[C@H](COC)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342159 628015814 /nfs/dbraw/zinc/01/58/14/628015814.db2.gz MTAYWQIAAUKFRG-IAGOWNOFSA-N 1 0 320.477 3.316 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCC(OC)CC3)C2)cc1 ZINC000818341637 628015917 /nfs/dbraw/zinc/01/59/17/628015917.db2.gz CJJPGXBWBUIMGM-HJOIGYKYSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccoc3)C2)cc1 ZINC000818345789 628016256 /nfs/dbraw/zinc/01/62/56/628016256.db2.gz YCSINUYHZWLZCK-CABCVRRESA-N 1 0 300.402 3.465 20 10 DGCDRO CC[C@H]([NH2+]Cc1nn(CC)nc1C)c1cc(Cl)ccc1O ZINC000818344276 628016778 /nfs/dbraw/zinc/01/67/78/628016778.db2.gz BGTZHNDQBVKJPB-ZDUSSCGKSA-N 1 0 308.813 3.206 20 10 DGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-])CC[NH2+]CC2 ZINC000818430859 628022229 /nfs/dbraw/zinc/02/22/29/628022229.db2.gz AEXCBGJRQALTOY-LLVKDONJSA-N 1 0 312.816 3.149 20 10 DGCDRO C[C@H]1CC2(C[N@@H+]1Cc1c([O-])ccc(Cl)c1F)CC[NH2+]CC2 ZINC000818431607 628022579 /nfs/dbraw/zinc/02/25/79/628022579.db2.gz PUJDTCPNTWZPIA-NSHDSACASA-N 1 0 312.816 3.149 20 10 DGCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818985515 628073201 /nfs/dbraw/zinc/07/32/01/628073201.db2.gz VWTNLMVMJAWXTI-HXUWFJFHSA-N 1 0 310.441 3.201 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1 ZINC000819096151 628091164 /nfs/dbraw/zinc/09/11/64/628091164.db2.gz XQNVINQPJKXVQZ-LJQANCHMSA-N 1 0 312.388 3.025 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1ccccc1F ZINC000819094788 628091220 /nfs/dbraw/zinc/09/12/20/628091220.db2.gz MGFYGPNPEMDEFT-IBGZPJMESA-N 1 0 312.388 3.025 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1O ZINC000822530198 628462181 /nfs/dbraw/zinc/46/21/81/628462181.db2.gz TVOHUINNIBVWOU-SFHVURJKSA-N 1 0 301.430 3.482 20 10 DGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CCO1 ZINC000823666799 628585115 /nfs/dbraw/zinc/58/51/15/628585115.db2.gz SALOMTXOHXRAEF-FUHWJXTLSA-N 1 0 320.502 3.287 20 10 DGCDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823665846 628585138 /nfs/dbraw/zinc/58/51/38/628585138.db2.gz AWEJGEHDJQMMDD-CZUORRHYSA-N 1 0 308.516 3.081 20 10 DGCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CCO1 ZINC000823666797 628585340 /nfs/dbraw/zinc/58/53/40/628585340.db2.gz SALOMTXOHXRAEF-AEFFLSMTSA-N 1 0 320.502 3.287 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1 ZINC000823702676 628588030 /nfs/dbraw/zinc/58/80/30/628588030.db2.gz QRJDZAWBOGHXDC-GOSISDBHSA-N 1 0 320.452 3.455 20 10 DGCDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823924087 628610391 /nfs/dbraw/zinc/61/03/91/628610391.db2.gz RCPDXXUIXUZRSM-CABCVRRESA-N 1 0 318.486 3.491 20 10 DGCDRO O=C1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CN1C1CCCCC1 ZINC000824153219 628632108 /nfs/dbraw/zinc/63/21/08/628632108.db2.gz DKLBPKFPGKHYRS-LBPRGKRZSA-N 1 0 322.836 3.069 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCCCC2(F)F)cc1OC ZINC000824543573 628669056 /nfs/dbraw/zinc/66/90/56/628669056.db2.gz LLVPGNMAJCYFMQ-GFCCVEGCSA-N 1 0 315.360 3.325 20 10 DGCDRO C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccc1O ZINC000824593159 628675037 /nfs/dbraw/zinc/67/50/37/628675037.db2.gz LSJWYOSLUGQTPX-SFHVURJKSA-N 1 0 313.397 3.192 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2ccnc(C)c2)ccc1OC ZINC000824595904 628675195 /nfs/dbraw/zinc/67/51/95/628675195.db2.gz BFRIKZFJZWEIEV-UHFFFAOYSA-N 1 0 300.402 3.225 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]2C2CC2)c1O ZINC000824650153 628680305 /nfs/dbraw/zinc/68/03/05/628680305.db2.gz KDZGOIPTCZUXGU-LBPRGKRZSA-N 1 0 312.207 3.148 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000824696310 628684805 /nfs/dbraw/zinc/68/48/05/628684805.db2.gz KXJURFRMTFENJT-BBWFWOEESA-N 1 0 319.445 3.306 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000824709870 628685864 /nfs/dbraw/zinc/68/58/64/628685864.db2.gz PQEAGIHUXDKTAW-HNNXBMFYSA-N 1 0 308.853 3.414 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](CCO)C2)c(O)c(C(C)(C)C)c1 ZINC000824719165 628687195 /nfs/dbraw/zinc/68/71/95/628687195.db2.gz CKWJMBGAWXZHQJ-CQSZACIVSA-N 1 0 321.461 3.293 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@](C)(OC)c2ccccc2)c(O)c1 ZINC000824780458 628692941 /nfs/dbraw/zinc/69/29/41/628692941.db2.gz PUODJRWSEVQDFF-IBGZPJMESA-N 1 0 315.413 3.442 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000824893532 628704034 /nfs/dbraw/zinc/70/40/34/628704034.db2.gz UVUKHWFAGIQYAZ-SJORKVTESA-N 1 0 317.429 3.182 20 10 DGCDRO C[NH+](C)CCCC(C)(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824914693 628705492 /nfs/dbraw/zinc/70/54/92/628705492.db2.gz XIIXZBQOXUTSKP-UHFFFAOYSA-N 1 0 302.821 3.395 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C12CCC(CC1)CC2 ZINC000824935887 628708672 /nfs/dbraw/zinc/70/86/72/628708672.db2.gz NKWXCSXLJCSNDH-UHFFFAOYSA-N 1 0 300.446 3.336 20 10 DGCDRO C[N@H+](Cc1ccccc1O)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824932392 628708906 /nfs/dbraw/zinc/70/89/06/628708906.db2.gz OBWHYMVNWZOAFF-UHFFFAOYSA-N 1 0 320.433 3.271 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000824940914 628709606 /nfs/dbraw/zinc/70/96/06/628709606.db2.gz FQKSRBFYTKDPEL-PMACEKPBSA-N 1 0 312.457 3.144 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1C ZINC000824949413 628710029 /nfs/dbraw/zinc/71/00/29/628710029.db2.gz YCBDHSBKNKXZPC-MJGOQNOKSA-N 1 0 312.413 3.409 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000824954481 628710749 /nfs/dbraw/zinc/71/07/49/628710749.db2.gz QQKMFNWHKSQJDR-DYVFJYSZSA-N 1 0 318.804 3.451 20 10 DGCDRO COc1cccc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c1O ZINC000824970117 628712073 /nfs/dbraw/zinc/71/20/73/628712073.db2.gz JHPFEQDGJAKXHZ-CYBMUJFWSA-N 1 0 304.217 3.464 20 10 DGCDRO c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CCO2)nc1 ZINC000825084724 628725631 /nfs/dbraw/zinc/72/56/31/628725631.db2.gz HLTIXWPERDQZBL-VQIMIIECSA-N 1 0 310.397 3.026 20 10 DGCDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825089576 628726195 /nfs/dbraw/zinc/72/61/95/628726195.db2.gz FUCBCWYPQMOPOP-NSHDSACASA-N 1 0 307.825 3.285 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCOCC23CCCCC3)c(O)c1 ZINC000825098139 628727443 /nfs/dbraw/zinc/72/74/43/628727443.db2.gz AZYCQWVNCJQVNX-UHFFFAOYSA-N 1 0 305.418 3.326 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124152 628730515 /nfs/dbraw/zinc/73/05/15/628730515.db2.gz IVXCEYURVVDXKL-TVQRCGJNSA-N 1 0 323.742 3.099 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2ccccc2F)cc1Cl ZINC000825131098 628730908 /nfs/dbraw/zinc/73/09/08/628730908.db2.gz KBRQPSCZVMDEDO-MRXNPFEDSA-N 1 0 309.768 3.316 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2F)CC1 ZINC000825137481 628731917 /nfs/dbraw/zinc/73/19/17/628731917.db2.gz ASUWBRVGJKRXTE-UWWQBHOKSA-N 1 0 318.436 3.065 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C2CCC(OC(F)F)CC2)c1 ZINC000825143040 628731950 /nfs/dbraw/zinc/73/19/50/628731950.db2.gz AIUBJAJAEPJTHS-UHFFFAOYSA-N 1 0 301.333 3.041 20 10 DGCDRO COc1cccc(C[NH2+]C2CCC(OC(F)F)CC2)c1O ZINC000825144436 628732330 /nfs/dbraw/zinc/73/23/30/628732330.db2.gz NJMABFCHKLGLOF-UHFFFAOYSA-N 1 0 301.333 3.041 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)Cc2ccccc2)cc1Cl ZINC000825240880 628741068 /nfs/dbraw/zinc/74/10/68/628741068.db2.gz LRETVVYRBSAGSL-OAHLLOKOSA-N 1 0 305.805 3.047 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000825293779 628747434 /nfs/dbraw/zinc/74/74/34/628747434.db2.gz AWVNLXPOMRNRMZ-UHFFFAOYSA-N 1 0 316.367 3.159 20 10 DGCDRO CCOc1cccc(C[N@H+](CCO)Cc2cc(C)ccc2O)c1 ZINC000825299047 628747790 /nfs/dbraw/zinc/74/77/90/628747790.db2.gz AEJUMKXODSULLW-UHFFFAOYSA-N 1 0 315.413 3.094 20 10 DGCDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000825338637 628751670 /nfs/dbraw/zinc/75/16/70/628751670.db2.gz RXNLVYDIQYSZJD-ZDUSSCGKSA-N 1 0 300.805 3.099 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1Cl ZINC000825375983 628754877 /nfs/dbraw/zinc/75/48/77/628754877.db2.gz TVWRICVWSGYVNA-OAHLLOKOSA-N 1 0 323.795 3.186 20 10 DGCDRO COc1cc(C[N@H+](C)CCCCCO)c(O)c(C(C)(C)C)c1 ZINC000825726880 628790985 /nfs/dbraw/zinc/79/09/85/628790985.db2.gz XYOGVIRKFUOFSJ-UHFFFAOYSA-N 1 0 309.450 3.293 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1Cl ZINC000825900794 628808942 /nfs/dbraw/zinc/80/89/42/628808942.db2.gz RNZLFCJNTSEYCQ-BBRMVZONSA-N 1 0 308.853 3.413 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CS[C@H](C(C)C)C3)C2)cc1 ZINC000826845866 628894177 /nfs/dbraw/zinc/89/41/77/628894177.db2.gz MNWHOEJFRVBRFD-DAYGRLMNSA-N 1 0 320.502 3.394 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](COC)c2cccc(OC)c2)c1O ZINC000827012526 628912617 /nfs/dbraw/zinc/91/26/17/628912617.db2.gz ZVZNJJRRZHANNA-SFHVURJKSA-N 1 0 315.413 3.441 20 10 DGCDRO COCC1(C2CCC2)C[NH+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000827011614 628912738 /nfs/dbraw/zinc/91/27/38/628912738.db2.gz LDGUNCWXHIMJCP-UHFFFAOYSA-N 1 0 306.425 3.140 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000827151697 628929154 /nfs/dbraw/zinc/92/91/54/628929154.db2.gz IGLJGNMTAUVSHJ-SIEMBAAWSA-N 1 0 300.446 3.003 20 10 DGCDRO O[C@]1(C2CC2)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000827151921 628929200 /nfs/dbraw/zinc/92/92/00/628929200.db2.gz NGICXRWTBQHBGI-HXUWFJFHSA-N 1 0 314.473 3.414 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c1O ZINC000827259438 628942537 /nfs/dbraw/zinc/94/25/37/628942537.db2.gz FFMQIMWQHSUEEL-KRWDZBQOSA-N 1 0 302.462 3.451 20 10 DGCDRO C[NH+](C)CCCOc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000827271969 628943772 /nfs/dbraw/zinc/94/37/72/628943772.db2.gz XDIUBDJDMLNOGH-UHFFFAOYSA-N 1 0 320.414 3.037 20 10 DGCDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000827283660 628945101 /nfs/dbraw/zinc/94/51/01/628945101.db2.gz RCCOIDZHAKYQNJ-IEBWSBKVSA-N 1 0 300.446 3.145 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1O ZINC000827377357 628954519 /nfs/dbraw/zinc/95/45/19/628954519.db2.gz WOOLTCXEBWLCGW-GOEBONIOSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CC3CC(F)(F)C3)CC2)cc1 ZINC000827467897 628961754 /nfs/dbraw/zinc/96/17/54/628961754.db2.gz HHVDNBFVCJNLLS-UHFFFAOYSA-N 1 0 310.388 3.253 20 10 DGCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)ccc1N1CCCCC1 ZINC000827507012 628965761 /nfs/dbraw/zinc/96/57/61/628965761.db2.gz RBJFPPPUDLILIG-HZPDHXFCSA-N 1 0 315.417 3.427 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)c(F)c1 ZINC000827526340 628968084 /nfs/dbraw/zinc/96/80/84/628968084.db2.gz KKCGNASZCUEDFS-UHFFFAOYSA-N 1 0 317.360 3.219 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000827628922 628978026 /nfs/dbraw/zinc/97/80/26/628978026.db2.gz BDWCWZYLCBGRIV-UHFFFAOYSA-N 1 0 302.374 3.159 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(OCC)c1O ZINC000827750609 628988192 /nfs/dbraw/zinc/98/81/92/628988192.db2.gz KZPVVAOEGIROML-YJBOKZPZSA-N 1 0 321.417 3.002 20 10 DGCDRO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000828013877 629014812 /nfs/dbraw/zinc/01/48/12/629014812.db2.gz NFSVPLRIZBYYDS-UHFFFAOYSA-N 1 0 305.809 3.353 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)ccc1N1CCCCC1 ZINC000828755379 629088060 /nfs/dbraw/zinc/08/80/60/629088060.db2.gz MTLCKXBVQHLDIB-WMZOPIPTSA-N 1 0 302.462 3.188 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)C(C)C ZINC000828802833 629094696 /nfs/dbraw/zinc/09/46/96/629094696.db2.gz QCQRJMIIAUITBT-LJQANCHMSA-N 1 0 320.477 3.062 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)ccc1N1CCCCC1 ZINC000828846624 629100056 /nfs/dbraw/zinc/10/00/56/629100056.db2.gz MCLSRYKJBRBYRV-FUHWJXTLSA-N 1 0 302.462 3.500 20 10 DGCDRO Cc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)ccc1N1CCCCC1 ZINC000829244342 629144109 /nfs/dbraw/zinc/14/41/09/629144109.db2.gz WMUBNPZUFKRKBX-WMZOPIPTSA-N 1 0 302.462 3.500 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1O ZINC000831322631 629362815 /nfs/dbraw/zinc/36/28/15/629362815.db2.gz XJMSASLOJFWCBS-IAOVAPTHSA-N 1 0 321.392 3.027 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCC(C)(C)C2)cc1 ZINC000832266833 629457737 /nfs/dbraw/zinc/45/77/37/629457737.db2.gz JLZLTGDGJGDSHT-WBVHZDCISA-N 1 0 317.477 3.085 20 10 DGCDRO CCCCCC[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274425 629458428 /nfs/dbraw/zinc/45/84/28/629458428.db2.gz SZFJHDYMBHZLEX-MAUKXSAKSA-N 1 0 319.493 3.475 20 10 DGCDRO C[C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279617 629458944 /nfs/dbraw/zinc/45/89/44/629458944.db2.gz KUDPQHKWRSOUAE-UWWQBHOKSA-N 1 0 317.477 3.085 20 10 DGCDRO C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279616 629458981 /nfs/dbraw/zinc/45/89/81/629458981.db2.gz KUDPQHKWRSOUAE-QGPMSJSTSA-N 1 0 317.477 3.085 20 10 DGCDRO C[C@@H]1CCCC[C@H]1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279614 629459142 /nfs/dbraw/zinc/45/91/42/629459142.db2.gz KUDPQHKWRSOUAE-HFTRVMKXSA-N 1 0 317.477 3.085 20 10 DGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000832625357 629500000 /nfs/dbraw/zinc/50/00/00/629500000.db2.gz UKQZRVFIQUPVPU-HZPDHXFCSA-N 1 0 309.381 3.171 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C2(OC)CCOCC2)cc1 ZINC000834517958 629719720 /nfs/dbraw/zinc/71/97/20/629719720.db2.gz AYZWOEWQIOOKGJ-MRXNPFEDSA-N 1 0 320.477 3.207 20 10 DGCDRO CN(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834527091 629720526 /nfs/dbraw/zinc/72/05/26/629720526.db2.gz VEGFWCBHRTYRSW-QZTJIDSGSA-N 1 0 310.441 3.142 20 10 DGCDRO CN(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834527092 629720978 /nfs/dbraw/zinc/72/09/78/629720978.db2.gz VEGFWCBHRTYRSW-ROUUACIJSA-N 1 0 310.441 3.142 20 10 DGCDRO CN(C)C(=O)C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834530075 629721371 /nfs/dbraw/zinc/72/13/71/629721371.db2.gz AUOVEOBHADBAIN-SJORKVTESA-N 1 0 324.424 3.189 20 10 DGCDRO COc1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)c(OC)c1 ZINC000834547958 629725076 /nfs/dbraw/zinc/72/50/76/629725076.db2.gz ISRAFYYMLYIMCX-MRXNPFEDSA-N 1 0 313.397 3.229 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H](O)c1cccc(F)c1 ZINC000834676476 629755116 /nfs/dbraw/zinc/75/51/16/629755116.db2.gz UXZFJPWUQALSPV-POHZPAGDSA-N 1 0 301.361 3.230 20 10 DGCDRO CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834698333 629760544 /nfs/dbraw/zinc/76/05/44/629760544.db2.gz YBMTYPXPZVTAGM-AWEZNQCLSA-N 1 0 305.418 3.481 20 10 DGCDRO CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H]1CCc3cccc(O)c31)O2 ZINC000834736933 629769993 /nfs/dbraw/zinc/76/99/93/629769993.db2.gz BSJXPDJKGZDKBZ-QHZMEWJKSA-N 1 0 317.429 3.291 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1COc3cc(F)cc(F)c31)CC2 ZINC000834765544 629775655 /nfs/dbraw/zinc/77/56/55/629775655.db2.gz NGBQWEKNWCNXGI-STQMWFEESA-N 1 0 303.308 3.381 20 10 DGCDRO OC[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)C[C@@H]1c1ccccc1 ZINC000834803017 629782144 /nfs/dbraw/zinc/78/21/44/629782144.db2.gz IGUZGZSFSIUMHX-MBOZVWFJSA-N 1 0 309.409 3.135 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000834822332 629784610 /nfs/dbraw/zinc/78/46/10/629784610.db2.gz WXVCFNWWZMBHJN-NWDGAFQWSA-N 1 0 319.836 3.213 20 10 DGCDRO COCC(COC)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834891673 629799416 /nfs/dbraw/zinc/79/94/16/629799416.db2.gz PUCVHBJUZMUOIZ-MRXNPFEDSA-N 1 0 320.477 3.379 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000834895635 629800143 /nfs/dbraw/zinc/80/01/43/629800143.db2.gz CKMCHVRHOYFPNP-KSSFIOAISA-N 1 0 300.450 3.158 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000834895947 629801172 /nfs/dbraw/zinc/80/11/72/629801172.db2.gz FROBXCYKNKOHQS-NHYWBVRUSA-N 1 0 307.825 3.451 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c1 ZINC000834898149 629802208 /nfs/dbraw/zinc/80/22/08/629802208.db2.gz JKOUUZXRRGCFBT-SUNYJGFJSA-N 1 0 315.417 3.005 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@@H](c3ccccn3)C1)CC2 ZINC000834903859 629803844 /nfs/dbraw/zinc/80/38/44/629803844.db2.gz LUJBQKNSHBXUCU-QGPMSJSTSA-N 1 0 310.397 3.284 20 10 DGCDRO CC[C@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1ccc(C)cc1O ZINC000834903260 629803989 /nfs/dbraw/zinc/80/39/89/629803989.db2.gz GXYWCABVLQOHCZ-AWEZNQCLSA-N 1 0 323.400 3.122 20 10 DGCDRO COc1cccnc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834907233 629805660 /nfs/dbraw/zinc/80/56/60/629805660.db2.gz ZEGVESPXNOMAIY-CMPLNLGQSA-N 1 0 302.349 3.273 20 10 DGCDRO CC[C@@H]([NH2+]CCc1cnc(C)cn1)c1cc(Cl)ccc1O ZINC000834908032 629805786 /nfs/dbraw/zinc/80/57/86/629805786.db2.gz GMVSVKASIPYXPF-OAHLLOKOSA-N 1 0 305.809 3.427 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccccc1O ZINC000834912580 629807523 /nfs/dbraw/zinc/80/75/23/629807523.db2.gz SMCSUQIPPGUYRR-DZGCQCFKSA-N 1 0 313.401 3.164 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)c(O)c1 ZINC000834913620 629807571 /nfs/dbraw/zinc/80/75/71/629807571.db2.gz YNAJSSKYRMZBTO-OCCSQVGLSA-N 1 0 313.401 3.082 20 10 DGCDRO CC[N@@H+]1C[C@H](C)N(C/C=C/c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000835025882 629827316 /nfs/dbraw/zinc/82/73/16/629827316.db2.gz MLCWPEIXNLHALQ-FNQZAJIHSA-N 1 0 301.478 3.180 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000835029834 629829934 /nfs/dbraw/zinc/82/99/34/629829934.db2.gz SXJHTZKMTOTFSC-RMUOZIPVSA-N 1 0 322.452 3.358 20 10 DGCDRO Cc1nccn1C[C@@H](C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035518 629830536 /nfs/dbraw/zinc/83/05/36/629830536.db2.gz IVWCBYFTQRORQC-JFDDCEBESA-N 1 0 312.461 3.197 20 10 DGCDRO Cc1ccccc1[C@@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835038477 629831109 /nfs/dbraw/zinc/83/11/09/629831109.db2.gz ATZGVWGCRGRSCS-LZVBJTEYSA-N 1 0 310.441 3.397 20 10 DGCDRO Cc1ccccc1[C@@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835038471 629831499 /nfs/dbraw/zinc/83/14/99/629831499.db2.gz ATZGVWGCRGRSCS-IEJURRBGSA-N 1 0 310.441 3.397 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC000835040429 629831819 /nfs/dbraw/zinc/83/18/19/629831819.db2.gz PGPINKBEDKMDHT-PLNGDYQASA-N 1 0 312.413 3.270 20 10 DGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042165 629832936 /nfs/dbraw/zinc/83/29/36/629832936.db2.gz DUDDUZSKJGYHIW-CLUARGJDSA-N 1 0 314.429 3.461 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000835042964 629833049 /nfs/dbraw/zinc/83/30/49/629833049.db2.gz ZCXGBPKWVQBQJA-MUHBZLHNSA-N 1 0 312.457 3.313 20 10 DGCDRO COC(=O)[C@H](C)C[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835043816 629834113 /nfs/dbraw/zinc/83/41/13/629834113.db2.gz CRCRDRPNWNFZCW-IYKSTZQJSA-N 1 0 316.445 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CCO)c2ccco2)cc1 ZINC000835046454 629834480 /nfs/dbraw/zinc/83/44/80/629834480.db2.gz JTBKKDNCQBHTLN-NJELEJDNSA-N 1 0 300.402 3.072 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000835045866 629834546 /nfs/dbraw/zinc/83/45/46/629834546.db2.gz DXTJIUVDJCYQKE-REMYHPOOSA-N 1 0 302.443 3.151 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000835047307 629835636 /nfs/dbraw/zinc/83/56/36/629835636.db2.gz FWWDAOOWLSDBNR-WFRZBGSESA-N 1 0 300.446 3.313 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1 ZINC000835048965 629835848 /nfs/dbraw/zinc/83/58/48/629835848.db2.gz NTOXUEZEQHRXTD-VGOKWCNXSA-N 1 0 308.425 3.228 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000835049457 629836142 /nfs/dbraw/zinc/83/61/42/629836142.db2.gz DSKPVESOQAQKSV-SGSXCFNPSA-N 1 0 324.468 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccc3c[nH]nc3c2)cc1 ZINC000835050532 629836643 /nfs/dbraw/zinc/83/66/43/629836643.db2.gz TWCGXZRQJUCBID-ONEGZZNKSA-N 1 0 320.440 3.474 20 10 DGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C/C=C/c1ccc(N(C)C)cc1 ZINC000835053133 629837418 /nfs/dbraw/zinc/83/74/18/629837418.db2.gz SVMHQLDIRDEQFM-JDLZTQOXSA-N 1 0 312.457 3.121 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000835053383 629837628 /nfs/dbraw/zinc/83/76/28/629837628.db2.gz LVHAELPGRGVAEU-HYXAFXHYSA-N 1 0 323.431 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(CO)CC3(CCC3)C2)cc1 ZINC000835054985 629838389 /nfs/dbraw/zinc/83/83/89/629838389.db2.gz UDJIGJSTRGKFNA-HWKANZROSA-N 1 0 314.473 3.298 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(CO)CC3(CCC3)C2)cc1 ZINC000835054988 629838402 /nfs/dbraw/zinc/83/84/02/629838402.db2.gz UDJIGJSTRGKFNA-HYXAFXHYSA-N 1 0 314.473 3.298 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000835055968 629840094 /nfs/dbraw/zinc/84/00/94/629840094.db2.gz QNXDWQLBGKPWSF-OOFWQKGWSA-N 1 0 300.446 3.145 20 10 DGCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000102827144 630264696 /nfs/dbraw/zinc/26/46/96/630264696.db2.gz CRULUYNTHSAPAL-HNNXBMFYSA-N 1 0 324.852 3.164 20 10 DGCDRO Cc1ncc(C[NH2+][C@H](C)c2cc(Br)ccc2O)o1 ZINC000840794895 630358838 /nfs/dbraw/zinc/35/88/38/630358838.db2.gz RMJIGGMBBDZWDD-MRVPVSSYSA-N 1 0 311.179 3.302 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccn(C)n1 ZINC000840815960 630361861 /nfs/dbraw/zinc/36/18/61/630361861.db2.gz JFSWHTCPUSPGCN-UWVGGRQHSA-N 1 0 324.222 3.300 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c(Cl)c1 ZINC000840876254 630370148 /nfs/dbraw/zinc/37/01/48/630370148.db2.gz TUTGWMGLOVMJBX-UHFFFAOYSA-N 1 0 324.852 3.091 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000840893780 630373871 /nfs/dbraw/zinc/37/38/71/630373871.db2.gz LSIXVXPUXLNSJB-RDTXWAMCSA-N 1 0 312.461 3.382 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000840892566 630373959 /nfs/dbraw/zinc/37/39/59/630373959.db2.gz BANNPEGDYXNGQR-LZLYRXPVSA-N 1 0 303.494 3.064 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000840895037 630374653 /nfs/dbraw/zinc/37/46/53/630374653.db2.gz UXDAOZGPAHJPGV-HUUCEWRRSA-N 1 0 300.450 3.076 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840942567 630381909 /nfs/dbraw/zinc/38/19/09/630381909.db2.gz GPMJBBCSGJLVBP-NEPJUHHUSA-N 1 0 311.809 3.175 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)cc1OC ZINC000840954722 630384328 /nfs/dbraw/zinc/38/43/28/630384328.db2.gz MSQCGOCRZUKMCO-ZFWWWQNUSA-N 1 0 305.418 3.325 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CS[C@H](C)C2)c1O ZINC000840959638 630386249 /nfs/dbraw/zinc/38/62/49/630386249.db2.gz XPWRUPDZAACGPB-SKDRFNHKSA-N 1 0 316.264 3.447 20 10 DGCDRO COc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1O ZINC000840971131 630388826 /nfs/dbraw/zinc/38/88/26/630388826.db2.gz UFCXXYFIDWRFFX-QGZVFWFLSA-N 1 0 305.418 3.038 20 10 DGCDRO O[C@@H]1[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCCC1(F)F ZINC000840973416 630389612 /nfs/dbraw/zinc/38/96/12/630389612.db2.gz JOCLEUWTMORTCT-DLBZAZTESA-N 1 0 324.415 3.315 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1 ZINC000840975692 630390257 /nfs/dbraw/zinc/39/02/57/630390257.db2.gz KEKKNXHXCHKQPJ-KRWDZBQOSA-N 1 0 317.477 3.022 20 10 DGCDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000840976920 630390393 /nfs/dbraw/zinc/39/03/93/630390393.db2.gz DRFQNFPHNGWACO-JKSUJKDBSA-N 1 0 321.417 3.193 20 10 DGCDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000840975597 630390398 /nfs/dbraw/zinc/39/03/98/630390398.db2.gz ZJINIKJXUVWSQH-OAHLLOKOSA-N 1 0 322.836 3.023 20 10 DGCDRO Fc1cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)ccc1N1CCOCC1 ZINC000840977222 630390552 /nfs/dbraw/zinc/39/05/52/630390552.db2.gz GJRDUYOJBOXZCM-QGZVFWFLSA-N 1 0 318.436 3.284 20 10 DGCDRO CC(C)c1ccc([C@H](N)C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000841034937 630399938 /nfs/dbraw/zinc/39/99/38/630399938.db2.gz FJJIGRHHHMEQMQ-QGZVFWFLSA-N 1 0 302.393 3.444 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000841045809 630401715 /nfs/dbraw/zinc/40/17/15/630401715.db2.gz QOHAQUJQWVHQDV-ZHALLVOQSA-N 1 0 301.478 3.311 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2NCCc3ccccc32)cc1 ZINC000841067727 630404518 /nfs/dbraw/zinc/40/45/18/630404518.db2.gz PHEVXLQWQUPJGF-QEVIJRNUSA-N 1 0 321.468 3.242 20 10 DGCDRO CN(C)c1ccc(/C=C\CNc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC000841081924 630405377 /nfs/dbraw/zinc/40/53/77/630405377.db2.gz HWMHXNWBPYVBKB-ARJAWSKDSA-N 1 0 323.440 3.360 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841087478 630406084 /nfs/dbraw/zinc/40/60/84/630406084.db2.gz OGGTZBSZPCRDKU-ABAIWWIYSA-N 1 0 312.816 3.149 20 10 DGCDRO Cc1cccc2c1C[NH2+]CCN2Cc1cccc(Cl)c1O ZINC000841089605 630406756 /nfs/dbraw/zinc/40/67/56/630406756.db2.gz LWPHALIOVWMOPR-UHFFFAOYSA-N 1 0 302.805 3.464 20 10 DGCDRO NC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000841087786 630406963 /nfs/dbraw/zinc/40/69/63/630406963.db2.gz PJQIPVKCFCRURC-LJQANCHMSA-N 1 0 301.478 3.284 20 10 DGCDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2cc(Cl)cc(F)c2O)C1 ZINC000841106765 630408639 /nfs/dbraw/zinc/40/86/39/630408639.db2.gz PJKOXLZJLNLQNF-CYBMUJFWSA-N 1 0 306.768 3.075 20 10 DGCDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(N)cc2)c1 ZINC000841301528 630425373 /nfs/dbraw/zinc/42/53/73/630425373.db2.gz SIMBMFWIVVMRGO-UHFFFAOYSA-N 1 0 312.417 3.042 20 10 DGCDRO Nc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000841301682 630425523 /nfs/dbraw/zinc/42/55/23/630425523.db2.gz DCSMIBBZBOVOMS-UHFFFAOYSA-N 1 0 324.428 3.186 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC(OC3CCC3)CC2)c1O ZINC000841687282 630454553 /nfs/dbraw/zinc/45/45/53/630454553.db2.gz BEZIQKGCVCMZHC-UHFFFAOYSA-N 1 0 305.418 3.243 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841750439 630461572 /nfs/dbraw/zinc/46/15/72/630461572.db2.gz XGYZLVJOEJFRKT-NHYWBVRUSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(Cl)cc1O ZINC000841750677 630461732 /nfs/dbraw/zinc/46/17/32/630461732.db2.gz ABDNZYKZXSYACC-NSHDSACASA-N 1 0 305.809 3.429 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(Cl)cc1O ZINC000841756226 630462501 /nfs/dbraw/zinc/46/25/01/630462501.db2.gz WCILOQGULPEAJA-IAQYHMDHSA-N 1 0 314.882 3.134 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)CC2CCCCC2)c1 ZINC000841763579 630463343 /nfs/dbraw/zinc/46/33/43/630463343.db2.gz ZYZZGEAORDVXSN-UKRRQHHQSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841765018 630463416 /nfs/dbraw/zinc/46/34/16/630463416.db2.gz TUMPNTDOZSOLEH-GTNSWQLSSA-N 1 0 321.804 3.438 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(N(C)C)cc1 ZINC000841771614 630463912 /nfs/dbraw/zinc/46/39/12/630463912.db2.gz ZWXOSPWMFZDJGI-ZBFHGGJFSA-N 1 0 311.420 3.133 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(O)cc1C ZINC000842615894 630554482 /nfs/dbraw/zinc/55/44/82/630554482.db2.gz BKTWDNBGXPURSU-KRWDZBQOSA-N 1 0 313.397 3.363 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)c1 ZINC000842627312 630554581 /nfs/dbraw/zinc/55/45/81/630554581.db2.gz ZGQWZEZMZUFYGB-FQEVSTJZSA-N 1 0 311.425 3.275 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)[C@@H]1SC ZINC000842767737 630573808 /nfs/dbraw/zinc/57/38/08/630573808.db2.gz GWRNYWGVYHARAN-WDYWZEPKSA-N 1 0 320.502 3.264 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842886654 630589623 /nfs/dbraw/zinc/58/96/23/630589623.db2.gz TVZINZWPAYUUST-PBHICJAKSA-N 1 0 317.477 3.193 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c(O)c1C ZINC000842884862 630589639 /nfs/dbraw/zinc/58/96/39/630589639.db2.gz LJJHITDTZFEOLZ-DZGCQCFKSA-N 1 0 304.434 3.059 20 10 DGCDRO Cc1cccc2nc(CC[NH2+][C@@H](C)c3cc(F)ccc3O)cn21 ZINC000842932453 630595041 /nfs/dbraw/zinc/59/50/41/630595041.db2.gz ALWOOMLBXRPXNO-ZDUSSCGKSA-N 1 0 313.376 3.381 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000842934736 630595340 /nfs/dbraw/zinc/59/53/40/630595340.db2.gz YSIDMZKPAQLEJG-QLFBSQMISA-N 1 0 317.429 3.480 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843043929 630607644 /nfs/dbraw/zinc/60/76/44/630607644.db2.gz DCBWPCBMTLGFBX-PKOBYXMFSA-N 1 0 301.478 3.025 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nccn1-c1ccccc1 ZINC000843057753 630609196 /nfs/dbraw/zinc/60/91/96/630609196.db2.gz HVEQUYGCZLDWGY-UHFFFAOYSA-N 1 0 318.424 3.284 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1 ZINC000843116975 630615715 /nfs/dbraw/zinc/61/57/15/630615715.db2.gz JCWDASQFJHIKDJ-IBGZPJMESA-N 1 0 313.420 3.038 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN(C)CC[C@H]([NH3+])C(C)C)c1O ZINC000843354401 630648828 /nfs/dbraw/zinc/64/88/28/630648828.db2.gz DUDUXYOKUIIOAE-HNNXBMFYSA-N 1 0 312.841 3.053 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000843350646 630648955 /nfs/dbraw/zinc/64/89/55/630648955.db2.gz RXAYVJSARGPLAT-UHFFFAOYSA-N 1 0 315.348 3.145 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1C(=O)OC(C)(C)C ZINC000843414536 630653564 /nfs/dbraw/zinc/65/35/64/630653564.db2.gz HXFCHFJBMMHOAT-HIFRSBDPSA-N 1 0 305.418 3.192 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC000843419992 630655586 /nfs/dbraw/zinc/65/55/86/630655586.db2.gz XWAFZJRQUHGMLQ-CYBMUJFWSA-N 1 0 318.804 3.439 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c1 ZINC000843433425 630658730 /nfs/dbraw/zinc/65/87/30/630658730.db2.gz YFAPFXCDKPVLBG-SFHVURJKSA-N 1 0 319.445 3.234 20 10 DGCDRO CC[C@H]([NH3+])C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843483441 630661779 /nfs/dbraw/zinc/66/17/79/630661779.db2.gz CSTVSIPDWZCKAJ-YOEHRIQHSA-N 1 0 312.413 3.219 20 10 DGCDRO CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843483434 630662130 /nfs/dbraw/zinc/66/21/30/630662130.db2.gz CSTVSIPDWZCKAJ-RHSMWYFYSA-N 1 0 312.413 3.219 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000843488439 630662389 /nfs/dbraw/zinc/66/23/89/630662389.db2.gz ZTNCHNNXCZCEFZ-HKUYNNGSSA-N 1 0 317.477 3.009 20 10 DGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000843488432 630662643 /nfs/dbraw/zinc/66/26/43/630662643.db2.gz ZPKIFIXDNUUTCP-OLMNPRSZSA-N 1 0 324.424 3.219 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c(C)n1-c1cccc(C)c1 ZINC000843504283 630663593 /nfs/dbraw/zinc/66/35/93/630663593.db2.gz PBYRAVYPHRDAFD-ZIAGYGMSSA-N 1 0 313.445 3.258 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccc(N(C)C)cc1 ZINC000844321637 630718991 /nfs/dbraw/zinc/71/89/91/630718991.db2.gz FXVNMQQRHGWMNE-LLVKDONJSA-N 1 0 324.350 3.412 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccc(Cl)n2)cc1 ZINC000844402402 630724807 /nfs/dbraw/zinc/72/48/07/630724807.db2.gz WVEWMZULFRKMML-UHFFFAOYSA-N 1 0 319.836 3.312 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCCc2ccncc2)cc1 ZINC000844401478 630724946 /nfs/dbraw/zinc/72/49/46/630724946.db2.gz OADXVMIYJPPQRN-UHFFFAOYSA-N 1 0 313.445 3.091 20 10 DGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000844734549 630819748 /nfs/dbraw/zinc/81/97/48/630819748.db2.gz ZLZZGEKOHQZPOF-UHFFFAOYSA-N 1 0 322.412 3.049 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@H]1C ZINC000845970878 631204064 /nfs/dbraw/zinc/20/40/64/631204064.db2.gz FAVAKLZURJCDSF-QCQGSNGOSA-N 1 0 321.417 3.029 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000845970970 631204202 /nfs/dbraw/zinc/20/42/02/631204202.db2.gz GHBVFZPDWXZXOE-SNVBAGLBSA-N 1 0 304.415 3.197 20 10 DGCDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1F ZINC000846015184 631205899 /nfs/dbraw/zinc/20/58/99/631205899.db2.gz BTCGZRIRCPIUIN-ACJLOTCBSA-N 1 0 302.393 3.103 20 10 DGCDRO C[C@H](O)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1F ZINC000846015191 631205903 /nfs/dbraw/zinc/20/59/03/631205903.db2.gz BTCGZRIRCPIUIN-UGSOOPFHSA-N 1 0 302.393 3.103 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000846013041 631206047 /nfs/dbraw/zinc/20/60/47/631206047.db2.gz JIGIYTPTGDVCGV-IUUKEHGRSA-N 1 0 319.376 3.313 20 10 DGCDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000846016805 631206257 /nfs/dbraw/zinc/20/62/57/631206257.db2.gz JTCOTISKRLTAQO-MFKMUULPSA-N 1 0 316.239 3.041 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c1 ZINC000846038533 631207555 /nfs/dbraw/zinc/20/75/55/631207555.db2.gz MTRWNNUERYDHBC-AUUYWEPGSA-N 1 0 315.413 3.177 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H]1C ZINC000846055203 631208253 /nfs/dbraw/zinc/20/82/53/631208253.db2.gz JWEXOJPMPAUULT-UHIISALHSA-N 1 0 311.809 3.113 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2[nH]nc3ccccc32)cc1 ZINC000846052135 631208261 /nfs/dbraw/zinc/20/82/61/631208261.db2.gz LEIZKMDARCKIMS-UHFFFAOYSA-N 1 0 324.428 3.140 20 10 DGCDRO Cn1cc(C[NH2+]Cc2cc(Cl)ccc2O)c(C(F)F)n1 ZINC000846055795 631208606 /nfs/dbraw/zinc/20/86/06/631208606.db2.gz NWQQCFXKYLHRQU-UHFFFAOYSA-N 1 0 301.724 3.007 20 10 DGCDRO COc1cccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1O ZINC000846103000 631209708 /nfs/dbraw/zinc/20/97/08/631209708.db2.gz SSTHVFYORLUUBW-LLVKDONJSA-N 1 0 304.217 3.464 20 10 DGCDRO COc1ccc(OC)c(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846135265 631211472 /nfs/dbraw/zinc/21/14/72/631211472.db2.gz BKOKFLPTZJGCGA-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCCOCC(F)(F)F)c1O ZINC000846139647 631211529 /nfs/dbraw/zinc/21/15/29/631211529.db2.gz QCGKHTDEXTXZBO-JTQLQIEISA-N 1 0 307.312 3.020 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2sc(C)nc2C)c1O ZINC000846145133 631211817 /nfs/dbraw/zinc/21/18/17/631211817.db2.gz LRFBYOOJXAMTTC-SNVBAGLBSA-N 1 0 306.431 3.367 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CCO)C2CCCCC2)c1O ZINC000846143945 631211890 /nfs/dbraw/zinc/21/18/90/631211890.db2.gz BHUMHSUQSKNHBI-BBRMVZONSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc3c(c2)CCO3)c1O ZINC000846148150 631211994 /nfs/dbraw/zinc/21/19/94/631211994.db2.gz XGQQNERJIKAWQM-CYBMUJFWSA-N 1 0 313.397 3.229 20 10 DGCDRO COc1ccc(CC[NH2+][C@H](C)c2cccc(OC)c2O)cc1F ZINC000846146041 631212038 /nfs/dbraw/zinc/21/20/38/631212038.db2.gz PHHILDADLFNOIX-GFCCVEGCSA-N 1 0 319.376 3.442 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCN2[C@@H](C)CCC[C@@H]2C)c1O ZINC000846147245 631212072 /nfs/dbraw/zinc/21/20/72/631212072.db2.gz UXVCLEOQQLZAPD-KKUMJFAQSA-N 1 0 306.450 3.314 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccnc(SC)c2)c1O ZINC000846145990 631212126 /nfs/dbraw/zinc/21/21/26/631212126.db2.gz FAUZEAIMUDVREU-LLVKDONJSA-N 1 0 304.415 3.369 20 10 DGCDRO CCc1nc(CC[NH2+][C@@H](C)c2cccc(OC)c2O)cs1 ZINC000846145207 631212128 /nfs/dbraw/zinc/21/21/28/631212128.db2.gz MFXYNOOBSAGSHB-NSHDSACASA-N 1 0 306.431 3.313 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c1O ZINC000846152958 631212385 /nfs/dbraw/zinc/21/23/85/631212385.db2.gz WADIAJXSCKQOSC-GRDNDAEWSA-N 1 0 315.413 3.216 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846150589 631212387 /nfs/dbraw/zinc/21/23/87/631212387.db2.gz JFJZVCOUUBLYTK-CZUORRHYSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000846153199 631212521 /nfs/dbraw/zinc/21/25/21/631212521.db2.gz FXWQDKCAQBSRMO-NVGCLXPQSA-N 1 0 319.376 3.313 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1O ZINC000846156234 631212635 /nfs/dbraw/zinc/21/26/35/631212635.db2.gz CVBFDYJXEMLEHF-KZULUSFZSA-N 1 0 319.376 3.098 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c1O ZINC000846157572 631212735 /nfs/dbraw/zinc/21/27/35/631212735.db2.gz FMTCTYLQIZJUTG-UONOGXRCSA-N 1 0 307.434 3.240 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)c1O ZINC000846162399 631212958 /nfs/dbraw/zinc/21/29/58/631212958.db2.gz ARMQSIMHSZUJMF-BXKDBHETSA-N 1 0 307.312 3.019 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)c1O ZINC000846162400 631213015 /nfs/dbraw/zinc/21/30/15/631213015.db2.gz ARMQSIMHSZUJMF-CABZTGNLSA-N 1 0 307.312 3.019 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846161728 631213085 /nfs/dbraw/zinc/21/30/85/631213085.db2.gz BVKJWSRKTPDJPT-ZIAGYGMSSA-N 1 0 319.401 3.292 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c1O ZINC000846173319 631213512 /nfs/dbraw/zinc/21/35/12/631213512.db2.gz RBNRFVOOALFJGD-FZMZJTMJSA-N 1 0 317.360 3.194 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)c(O)c1 ZINC000846181509 631213735 /nfs/dbraw/zinc/21/37/35/631213735.db2.gz ZQSDDEJNTJIBNP-MGPUTAFESA-N 1 0 311.425 3.228 20 10 DGCDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc2ccccc2c1O ZINC000846211920 631215108 /nfs/dbraw/zinc/21/51/08/631215108.db2.gz ISAONSJKMQOKHG-LIRRHRJNSA-N 1 0 315.413 3.128 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000846677141 631284001 /nfs/dbraw/zinc/28/40/01/631284001.db2.gz NLAGSFRVUODPBS-FUHWJXTLSA-N 1 0 317.477 3.007 20 10 DGCDRO C/C(=C\c1cccnc1)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000846842500 631325397 /nfs/dbraw/zinc/32/53/97/631325397.db2.gz YMVILHMEVRFPHS-JQIJEIRASA-N 1 0 309.413 3.080 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000848558902 631691927 /nfs/dbraw/zinc/69/19/27/631691927.db2.gz PPBRQOITBNMPOL-RZAIGCCYSA-N 1 0 305.418 3.399 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1O ZINC000848558470 631691948 /nfs/dbraw/zinc/69/19/48/631691948.db2.gz QKHMLLKXOOVTTG-CUSZFKRNSA-N 1 0 320.477 3.239 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000848568696 631696654 /nfs/dbraw/zinc/69/66/54/631696654.db2.gz OQBMUPNFLMXWMB-KFKAGJAMSA-N 1 0 301.478 3.420 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1O ZINC000848568260 631696992 /nfs/dbraw/zinc/69/69/92/631696992.db2.gz CFTVSVIUGPYGNU-IMJJTQAJSA-N 1 0 304.434 3.068 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c1O ZINC000848576748 631701525 /nfs/dbraw/zinc/70/15/25/631701525.db2.gz VYLSSKVSWMLQND-HNNXBMFYSA-N 1 0 305.418 3.372 20 10 DGCDRO COC(=O)Cc1ccccc1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000848578847 631702923 /nfs/dbraw/zinc/70/29/23/631702923.db2.gz MXVWKORPAPRGJA-UHFFFAOYSA-N 1 0 313.397 3.009 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1O ZINC000848890558 631774975 /nfs/dbraw/zinc/77/49/75/631774975.db2.gz RTXNZDDHXRFGKU-LBPRGKRZSA-N 1 0 316.367 3.023 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cc(OC)ccc2OC)c1O ZINC000848893034 631775603 /nfs/dbraw/zinc/77/56/03/631775603.db2.gz NSEYUSSGLMQRQM-UHFFFAOYSA-N 1 0 301.386 3.262 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2cccc(CC)c2O)cn1 ZINC000848893450 631775992 /nfs/dbraw/zinc/77/59/92/631775992.db2.gz CVBKRAIULDVESN-UHFFFAOYSA-N 1 0 300.402 3.428 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000848897600 631777895 /nfs/dbraw/zinc/77/78/95/631777895.db2.gz JXXWIMQFZQWALL-AWEZNQCLSA-N 1 0 322.412 3.386 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)c1O ZINC000848899110 631778625 /nfs/dbraw/zinc/77/86/25/631778625.db2.gz CDXOJKRMACKCPM-KRWDZBQOSA-N 1 0 324.428 3.484 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1O ZINC000848903101 631779525 /nfs/dbraw/zinc/77/95/25/631779525.db2.gz LWDYLAZOTMBGQF-UHFFFAOYSA-N 1 0 311.425 3.438 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000848907005 631782145 /nfs/dbraw/zinc/78/21/45/631782145.db2.gz GLLITNPLFQMZNB-DZGCQCFKSA-N 1 0 317.351 3.090 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c1O ZINC000848909616 631783066 /nfs/dbraw/zinc/78/30/66/631783066.db2.gz XXBYVRDEEGXINB-ZDUSSCGKSA-N 1 0 322.449 3.348 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c1 ZINC000848927345 631791167 /nfs/dbraw/zinc/79/11/67/631791167.db2.gz WCVYACXZZSDVNA-INIZCTEOSA-N 1 0 323.433 3.247 20 10 DGCDRO COc1cccc(C[N@@H+]2C[C@@H](C)OC3(CCCCC3)C2)c1O ZINC000848928821 631792488 /nfs/dbraw/zinc/79/24/88/631792488.db2.gz ONJYANCTBXVLNB-CQSZACIVSA-N 1 0 305.418 3.324 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)OC3(CCCCC3)C2)c1 ZINC000848929302 631792636 /nfs/dbraw/zinc/79/26/36/631792636.db2.gz VOAYPKHNWNUSPB-AWEZNQCLSA-N 1 0 305.418 3.324 20 10 DGCDRO CN(C)c1ccc(CNC(=[NH2+])Nc2cc(F)ccc2F)cc1F ZINC000849081170 631829773 /nfs/dbraw/zinc/82/97/73/631829773.db2.gz KPCSHUBSUQGIER-UHFFFAOYSA-N 1 0 322.334 3.306 20 10 DGCDRO c1nc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000108941980 631989050 /nfs/dbraw/zinc/98/90/50/631989050.db2.gz PBCFXXWSYQHLJH-UHFFFAOYSA-N 1 0 301.459 3.466 20 10 DGCDRO COc1cc(C[NH2+]Cc2c[nH]nc2C)c(O)c(C(C)(C)C)c1 ZINC000850028490 632032353 /nfs/dbraw/zinc/03/23/53/632032353.db2.gz BETUCUBZSXIIPE-UHFFFAOYSA-N 1 0 303.406 3.020 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)Cn2cccn2)c(O)c(C(C)(C)C)c1 ZINC000850028412 632032505 /nfs/dbraw/zinc/03/25/05/632032505.db2.gz PCUFRQJEUYLVOP-ZDUSSCGKSA-N 1 0 317.433 3.073 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1C ZINC000850113819 632059312 /nfs/dbraw/zinc/05/93/12/632059312.db2.gz WINSZJXDGLOCOR-UHFFFAOYSA-N 1 0 313.323 3.046 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cncc(OC)c2)cc1F ZINC000850130089 632062759 /nfs/dbraw/zinc/06/27/59/632062759.db2.gz ZIOSBNGOASIILQ-UHFFFAOYSA-N 1 0 317.408 3.365 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850135911 632063723 /nfs/dbraw/zinc/06/37/23/632063723.db2.gz SIJORGXGLNNFNP-HZPDHXFCSA-N 1 0 307.434 3.091 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850155268 632067733 /nfs/dbraw/zinc/06/77/33/632067733.db2.gz RNHAMUBHVBFVAG-DYVFJYSZSA-N 1 0 321.461 3.339 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850155270 632067916 /nfs/dbraw/zinc/06/79/16/632067916.db2.gz RNHAMUBHVBFVAG-SUMWQHHRSA-N 1 0 321.461 3.339 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850234571 632089873 /nfs/dbraw/zinc/08/98/73/632089873.db2.gz IHESYCOWPCWSQV-TZMCWYRMSA-N 1 0 307.434 3.355 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000850326630 632113918 /nfs/dbraw/zinc/11/39/18/632113918.db2.gz APTWJWLZUZWQCA-DZGCQCFKSA-N 1 0 321.461 3.339 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1 ZINC000850341802 632118317 /nfs/dbraw/zinc/11/83/17/632118317.db2.gz ATBVTELVDHCNJW-HPFMTEOYSA-N 1 0 301.478 3.228 20 10 DGCDRO COC1CC(CC[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000850343586 632118909 /nfs/dbraw/zinc/11/89/09/632118909.db2.gz PKWDAKANSCEQDT-UHFFFAOYSA-N 1 0 314.223 3.059 20 10 DGCDRO CCc1nc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000850345633 632119818 /nfs/dbraw/zinc/11/98/18/632119818.db2.gz GSDHNGQNJACNPI-CYBMUJFWSA-N 1 0 317.458 3.083 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000850362208 632126016 /nfs/dbraw/zinc/12/60/16/632126016.db2.gz JQMOLQSXTDKMHZ-IBGZPJMESA-N 1 0 314.429 3.239 20 10 DGCDRO CC[C@@](C)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000850383524 632133910 /nfs/dbraw/zinc/13/39/10/632133910.db2.gz GSABYNUMHBDZMQ-GOSISDBHSA-N 1 0 306.425 3.331 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2COc3cc(F)ccc3C2)cc1C ZINC000850381918 632134032 /nfs/dbraw/zinc/13/40/32/632134032.db2.gz LERLOVPRQMJRAX-INIZCTEOSA-N 1 0 301.361 3.241 20 10 DGCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000850406265 632142635 /nfs/dbraw/zinc/14/26/35/632142635.db2.gz ZEWIPXWXIFPTIU-UHFFFAOYSA-N 1 0 314.429 3.093 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCOC2(C)C)ccc1OC ZINC000850409534 632143351 /nfs/dbraw/zinc/14/33/51/632143351.db2.gz WPOQYBIRHISBLX-MRXNPFEDSA-N 1 0 307.434 3.136 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)c2nccn2C)c(O)c(C(C)(C)C)c1 ZINC000850410396 632143440 /nfs/dbraw/zinc/14/34/40/632143440.db2.gz SWAWRFOTJNHXGU-LBPRGKRZSA-N 1 0 317.433 3.283 20 10 DGCDRO COc1cccc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)c1O ZINC000850412948 632145147 /nfs/dbraw/zinc/14/51/47/632145147.db2.gz MHNKWHZTZYWQHS-UHFFFAOYSA-N 1 0 321.417 3.002 20 10 DGCDRO COC[C@H](CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)OC ZINC000850487197 632167605 /nfs/dbraw/zinc/16/76/05/632167605.db2.gz YEUPBCKESMVKQG-AAEUAGOBSA-N 1 0 301.814 3.056 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000850487139 632167789 /nfs/dbraw/zinc/16/77/89/632167789.db2.gz GJQVORLNWIVZII-QFBILLFUSA-N 1 0 318.461 3.069 20 10 DGCDRO CCOC1CCC([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850486524 632167951 /nfs/dbraw/zinc/16/79/51/632167951.db2.gz ISKMYBNIKRUPLR-KOHRHEQBSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCc4cccnc43)C2)cc1 ZINC000850488581 632168214 /nfs/dbraw/zinc/16/82/14/632168214.db2.gz NKDINWXTPUTPOY-VQIMIIECSA-N 1 0 323.440 3.336 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3nccs3)C2)cc1 ZINC000850489258 632168349 /nfs/dbraw/zinc/16/83/49/632168349.db2.gz SFYUASBAFQTKKX-OLZOCXBDSA-N 1 0 303.431 3.081 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cncc(C)c3)C2)cc1 ZINC000850488917 632168513 /nfs/dbraw/zinc/16/85/13/632168513.db2.gz PMMYDYJQYAPELR-DOTOQJQBSA-N 1 0 311.429 3.328 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccncc1 ZINC000850488868 632168630 /nfs/dbraw/zinc/16/86/30/632168630.db2.gz VKROJCFGKRFYNT-VQIMIIECSA-N 1 0 311.429 3.410 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cccc(O)c3)C2)cc1 ZINC000850488929 632168664 /nfs/dbraw/zinc/16/86/64/632168664.db2.gz POUKXFWLKAFXAW-ZBFHGGJFSA-N 1 0 312.413 3.330 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3O)C2)cc1 ZINC000850489817 632169050 /nfs/dbraw/zinc/16/90/50/632169050.db2.gz XEBZYAHFMNNNNZ-LSDHHAIUSA-N 1 0 312.413 3.330 20 10 DGCDRO C[C@H]([NH2+]CCc1ccoc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850532086 632183244 /nfs/dbraw/zinc/18/32/44/632183244.db2.gz PTXHCYZDKYOTHV-AWEZNQCLSA-N 1 0 318.392 3.149 20 10 DGCDRO COc1ccnc(CN[C@@H](C)c2ccc(Cl)cc2O)c1F ZINC000850537472 632185773 /nfs/dbraw/zinc/18/57/73/632185773.db2.gz VQBPJBYKMDHHBW-VIFPVBQESA-N 1 0 310.756 3.439 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COc3cc(F)ccc3C2)c(O)c1 ZINC000850536768 632186084 /nfs/dbraw/zinc/18/60/84/632186084.db2.gz JSUZMWGKBJRRGH-DOMZBBRYSA-N 1 0 301.361 3.494 20 10 DGCDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CCc3cccc(O)c32)cn1 ZINC000850541290 632186701 /nfs/dbraw/zinc/18/67/01/632186701.db2.gz UVXFYSGSGHELJR-BBWFWOEESA-N 1 0 311.429 3.114 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN2CCC(C)CC2)c1 ZINC000850543128 632188138 /nfs/dbraw/zinc/18/81/38/632188138.db2.gz FRMAMQOPZXEFLN-LSDHHAIUSA-N 1 0 306.450 3.172 20 10 DGCDRO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(N(C)C)cc1 ZINC000850565752 632195475 /nfs/dbraw/zinc/19/54/75/632195475.db2.gz GQMGUGITGSOZKQ-ZDUSSCGKSA-N 1 0 312.404 3.344 20 10 DGCDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565688 632195748 /nfs/dbraw/zinc/19/57/48/632195748.db2.gz HILWOFPIPCPRGT-GOSISDBHSA-N 1 0 302.462 3.316 20 10 DGCDRO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000109772381 632316686 /nfs/dbraw/zinc/31/66/86/632316686.db2.gz ZMUSEVIFGKCLHB-HNNXBMFYSA-N 1 0 312.413 3.044 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCO[C@H]2CC2(F)F)C2CC2)cc1 ZINC000851732004 632476860 /nfs/dbraw/zinc/47/68/60/632476860.db2.gz GIXWGZPNZLYUKY-INIZCTEOSA-N 1 0 310.388 3.141 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)c1 ZINC000184798970 660187659 /nfs/dbraw/zinc/18/76/59/660187659.db2.gz DARGVXVBTAHLNT-UHFFFAOYSA-N 1 0 316.367 3.159 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000184912675 660194369 /nfs/dbraw/zinc/19/43/69/660194369.db2.gz WPFRTMZGJNHFHX-OWCLPIDISA-N 1 0 320.477 3.239 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nncn2-c2ccccc2)c(O)c1 ZINC000185000077 660197996 /nfs/dbraw/zinc/19/79/96/660197996.db2.gz DBIPTYBIEAARMQ-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO CCOc1ccccc1OCC[N@H+](C)Cc1ccccc1O ZINC000072629587 660206995 /nfs/dbraw/zinc/20/69/95/660206995.db2.gz PORJIUIEVRUXOR-UHFFFAOYSA-N 1 0 301.386 3.302 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c1 ZINC000185313759 660215090 /nfs/dbraw/zinc/21/50/90/660215090.db2.gz GVDNTMNXTLQGCP-CYBMUJFWSA-N 1 0 308.422 3.218 20 10 DGCDRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C2 ZINC000185334903 660215650 /nfs/dbraw/zinc/21/56/50/660215650.db2.gz LRPKKCKUJSHTPG-SMDDNHRTSA-N 1 0 317.360 3.194 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c(O)c1 ZINC000185353902 660218071 /nfs/dbraw/zinc/21/80/71/660218071.db2.gz LVYOHRIPLRLYPF-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Br)cc1O ZINC000185460456 660224489 /nfs/dbraw/zinc/22/44/89/660224489.db2.gz IOFRPKJOJZYGDP-FUPATZSFSA-N 1 0 312.207 3.125 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000073052741 660237847 /nfs/dbraw/zinc/23/78/47/660237847.db2.gz AMOVWJGAERYEAX-UHFFFAOYSA-N 1 0 314.404 3.261 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1 ZINC000186230348 660350758 /nfs/dbraw/zinc/35/07/58/660350758.db2.gz AHDNILWWKXMFCB-HUUCEWRRSA-N 1 0 305.418 3.427 20 10 DGCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000186460696 660445391 /nfs/dbraw/zinc/44/53/91/660445391.db2.gz KTVUUBHJJVDKQJ-GDBMZVCRSA-N 1 0 319.449 3.024 20 10 DGCDRO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1cc(F)ccc1O ZINC000186478526 660446816 /nfs/dbraw/zinc/44/68/16/660446816.db2.gz SGXYKLWAJXZIAW-LBPRGKRZSA-N 1 0 313.376 3.311 20 10 DGCDRO CC(C)[N@H+](Cc1cnn(CCF)c1)Cc1ccc(N(C)C)cc1 ZINC000929295852 660524664 /nfs/dbraw/zinc/52/46/64/660524664.db2.gz NBMYKHWNSUOOIY-UHFFFAOYSA-N 1 0 318.440 3.329 20 10 DGCDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000701119990 660654475 /nfs/dbraw/zinc/65/44/75/660654475.db2.gz WDMNQOLEHOSCBE-LKFCYVNXSA-N 1 0 314.223 3.058 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000701861688 660690674 /nfs/dbraw/zinc/69/06/74/660690674.db2.gz WCPWWLMGGFHRBM-CYBMUJFWSA-N 1 0 308.422 3.046 20 10 DGCDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000701919191 660691530 /nfs/dbraw/zinc/69/15/30/660691530.db2.gz JBWJJGFFVQDNHT-CQSZACIVSA-N 1 0 321.465 3.098 20 10 DGCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1c(O)cccc1Br ZINC000706835326 660874296 /nfs/dbraw/zinc/87/42/96/660874296.db2.gz SYNGPCWQVJFKTO-LLVKDONJSA-N 1 0 321.218 3.271 20 10 DGCDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000706830343 660874305 /nfs/dbraw/zinc/87/43/05/660874305.db2.gz REUSJVIUNQHWIU-SNVBAGLBSA-N 1 0 316.239 3.041 20 10 DGCDRO CC(C)COCCC[NH2+]Cc1c(O)cccc1Br ZINC000706829159 660874309 /nfs/dbraw/zinc/87/43/09/660874309.db2.gz NJZNBUSPELVWEK-UHFFFAOYSA-N 1 0 316.239 3.307 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CS1 ZINC000706872011 660875713 /nfs/dbraw/zinc/87/57/13/660875713.db2.gz BOTHUCYTMRRFLX-DTWKUNHWSA-N 1 0 302.237 3.138 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]C1CCSCC1 ZINC000706872513 660875866 /nfs/dbraw/zinc/87/58/66/660875866.db2.gz SLWIENUHEJRQBX-UHFFFAOYSA-N 1 0 302.237 3.140 20 10 DGCDRO CO[C@H]([C@H](C)[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706881080 660879193 /nfs/dbraw/zinc/87/91/93/660879193.db2.gz LXTYEQUPPVIWNJ-LKFCYVNXSA-N 1 0 314.223 3.058 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000707145877 660888199 /nfs/dbraw/zinc/88/81/99/660888199.db2.gz JXXXQSSRYVBIEZ-QWRGUYRKSA-N 1 0 314.223 3.154 20 10 DGCDRO CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001036321604 660895201 /nfs/dbraw/zinc/89/52/01/660895201.db2.gz CTRBYAHGYISEFU-RDJZCZTQSA-N 1 0 318.461 3.130 20 10 DGCDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792946567 660996021 /nfs/dbraw/zinc/99/60/21/660996021.db2.gz QDKXQGJEBLOJBP-CQSZACIVSA-N 1 0 318.383 3.268 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCC(C)(C)C(=O)OC)cc1F ZINC000792973800 660997598 /nfs/dbraw/zinc/99/75/98/660997598.db2.gz IEPYLOYGAWIJTP-UHFFFAOYSA-N 1 0 324.440 3.351 20 10 DGCDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792977526 660998182 /nfs/dbraw/zinc/99/81/82/660998182.db2.gz XZKRAIHRLKSZSQ-NHYWBVRUSA-N 1 0 318.383 3.268 20 10 DGCDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792998208 660999116 /nfs/dbraw/zinc/99/91/16/660999116.db2.gz SGEWUHNXIDWGOV-OAHLLOKOSA-N 1 0 318.383 3.268 20 10 DGCDRO COC(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792995601 660999182 /nfs/dbraw/zinc/99/91/82/660999182.db2.gz LTTDDZCZUCFFGM-UHFFFAOYSA-N 1 0 304.356 3.286 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000793003967 660999565 /nfs/dbraw/zinc/99/95/65/660999565.db2.gz JFYVAQXHUOPZAW-DOMZBBRYSA-N 1 0 316.367 3.022 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCCO2)c(C(F)(F)F)c1 ZINC000793015035 661000306 /nfs/dbraw/zinc/00/03/06/661000306.db2.gz BTBDZUFRQQUJHZ-HNNXBMFYSA-N 1 0 316.367 3.430 20 10 DGCDRO CC[C@]1(O)CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793091737 661004384 /nfs/dbraw/zinc/00/43/84/661004384.db2.gz DXLMMBMUHZVHEX-HNNXBMFYSA-N 1 0 316.367 3.118 20 10 DGCDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075319 661003594 /nfs/dbraw/zinc/00/35/94/661003594.db2.gz ZEBYKFZHAHMSLI-WDEREUQCSA-N 1 0 304.356 3.020 20 10 DGCDRO CCC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](O)c1ccccc1 ZINC000793241284 661016802 /nfs/dbraw/zinc/01/68/02/661016802.db2.gz ODEJTUIHBWTTLQ-AEFFLSMTSA-N 1 0 315.413 3.393 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)c(O)c1 ZINC000793387334 661029331 /nfs/dbraw/zinc/02/93/31/661029331.db2.gz DKAOOHIGDVZYDZ-UHFFFAOYSA-N 1 0 313.397 3.404 20 10 DGCDRO COc1cc(O)c(C[N@H+](CC2CC2)CC2CCC2)cc1OC ZINC000793391424 661029690 /nfs/dbraw/zinc/02/96/90/661029690.db2.gz YGSHMWXQHJFVJT-UHFFFAOYSA-N 1 0 305.418 3.422 20 10 DGCDRO CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1O ZINC000794789919 661105312 /nfs/dbraw/zinc/10/53/12/661105312.db2.gz BAIYDMKMMUSVFF-JZXOWHBKSA-N 1 0 320.477 3.241 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(C)cc1O ZINC000794794876 661105822 /nfs/dbraw/zinc/10/58/22/661105822.db2.gz RQOAHUCEXTUOOO-QAPCUYQASA-N 1 0 315.413 3.181 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(C)cc1O ZINC000794815888 661106924 /nfs/dbraw/zinc/10/69/24/661106924.db2.gz IJWYAIYUTNYYEB-SFHVURJKSA-N 1 0 324.424 3.227 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cc(Cl)ccc1O ZINC000794834325 661108084 /nfs/dbraw/zinc/10/80/84/661108084.db2.gz MVACMOMYRXPQNQ-BBRMVZONSA-N 1 0 324.852 3.345 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cc(Cl)ccc1O ZINC000794834327 661108309 /nfs/dbraw/zinc/10/83/09/661108309.db2.gz MVACMOMYRXPQNQ-CJNGLKHVSA-N 1 0 324.852 3.345 20 10 DGCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(C)cc(OC)c1O)C2 ZINC000795720081 661169482 /nfs/dbraw/zinc/16/94/82/661169482.db2.gz IPGPYIDAWGQTRU-UHFFFAOYSA-N 1 0 305.418 3.100 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccncc3)C1)CCCC2 ZINC000160404417 655629843 /nfs/dbraw/zinc/62/98/43/655629843.db2.gz CESFYFNDJKFZFR-LJQANCHMSA-N 1 0 324.424 3.319 20 10 DGCDRO COCCC[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000178463959 655747656 /nfs/dbraw/zinc/74/76/56/655747656.db2.gz SCPYOAZWYOTEFH-OAHLLOKOSA-N 1 0 306.450 3.069 20 10 DGCDRO C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000044515697 655772822 /nfs/dbraw/zinc/77/28/22/655772822.db2.gz GDOZXKMCDGMDBO-UHFFFAOYSA-N 1 0 303.233 3.130 20 10 DGCDRO COc1ccc(C[NH2+]CC(=O)N2CCCc3ccccc32)cc1C ZINC000065976795 655922981 /nfs/dbraw/zinc/92/29/81/655922981.db2.gz LECFEVWYDRVTCN-UHFFFAOYSA-N 1 0 324.424 3.073 20 10 DGCDRO CCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001024846423 655945322 /nfs/dbraw/zinc/94/53/22/655945322.db2.gz XVYPYLCYRJFPMV-QGZVFWFLSA-N 1 0 318.461 3.274 20 10 DGCDRO COCCC[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000178204746 655962079 /nfs/dbraw/zinc/96/20/79/655962079.db2.gz BRKHCQUVUYUWFB-HNNXBMFYSA-N 1 0 308.491 3.145 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc(N(C)C)cc1 ZINC000715951584 661216286 /nfs/dbraw/zinc/21/62/86/661216286.db2.gz DYKRTXZCZBCPIQ-LSDHHAIUSA-N 1 0 306.450 3.192 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000716235285 661220229 /nfs/dbraw/zinc/22/02/29/661220229.db2.gz BGEJHPKMUCADCY-OAHLLOKOSA-N 1 0 316.832 3.410 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)c1 ZINC000182348881 656105057 /nfs/dbraw/zinc/10/50/57/656105057.db2.gz QHMRQBVDVWCUCI-LLVKDONJSA-N 1 0 300.333 3.262 20 10 DGCDRO CCC(CC)[N@H+](CCOC)Cc1cc(F)cc(C(C)=O)c1O ZINC000314594549 656485460 /nfs/dbraw/zinc/48/54/60/656485460.db2.gz HJHAXVWVYWYSIW-UHFFFAOYSA-N 1 0 311.397 3.371 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000319751318 656653850 /nfs/dbraw/zinc/65/38/50/656653850.db2.gz UPTCBLVBCWTYEY-YOEHRIQHSA-N 1 0 312.413 3.243 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000319788008 656706754 /nfs/dbraw/zinc/70/67/54/656706754.db2.gz MQYJQLLRGOQPQC-NEPJUHHUSA-N 1 0 311.385 3.282 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)c1O ZINC000236943228 656995385 /nfs/dbraw/zinc/99/53/85/656995385.db2.gz LTAJYMVNPMWJKJ-BEFAXECRSA-N 1 0 320.477 3.391 20 10 DGCDRO CC(C)N(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000319650223 657121004 /nfs/dbraw/zinc/12/10/04/657121004.db2.gz LCUOSBJYKRTWMF-QGZVFWFLSA-N 1 0 303.494 3.495 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1O ZINC000319723038 657162074 /nfs/dbraw/zinc/16/20/74/657162074.db2.gz BEWQXUOWOKRQRB-MRXNPFEDSA-N 1 0 318.461 3.470 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000237171134 657356994 /nfs/dbraw/zinc/35/69/94/657356994.db2.gz SXMJOIVLNXGWKP-QGZVFWFLSA-N 1 0 316.420 3.239 20 10 DGCDRO Cc1cc(C)cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000067449294 657390152 /nfs/dbraw/zinc/39/01/52/657390152.db2.gz IOVSJYBWTNMYIO-UHFFFAOYSA-N 1 0 310.441 3.430 20 10 DGCDRO CCOC(=O)C1CCC([NH2+]Cc2cccc(OCC)c2O)CC1 ZINC000321351828 658166762 /nfs/dbraw/zinc/16/67/62/658166762.db2.gz YCMSQARBKSTVIN-UHFFFAOYSA-N 1 0 321.417 3.002 20 10 DGCDRO C[C@H]1COCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000054462370 658335526 /nfs/dbraw/zinc/33/55/26/658335526.db2.gz BCCFUNYCZCLSLV-LBPRGKRZSA-N 1 0 301.386 3.238 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(C)(C)C)C2)cc1C ZINC001018513731 658566660 /nfs/dbraw/zinc/56/66/60/658566660.db2.gz OSPMSFKYZYTSBW-INIZCTEOSA-N 1 0 318.461 3.130 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000164305407 658929211 /nfs/dbraw/zinc/92/92/11/658929211.db2.gz NAYJBINQCZVUOK-HNNXBMFYSA-N 1 0 320.433 3.108 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000164602002 658938375 /nfs/dbraw/zinc/93/83/75/658938375.db2.gz RHIFCBHKJNVAFK-UKRRQHHQSA-N 1 0 321.461 3.434 20 10 DGCDRO CC(=O)OC1CC[NH+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000156850479 658950855 /nfs/dbraw/zinc/95/08/55/658950855.db2.gz UVEGCTIZKMYXDE-UHFFFAOYSA-N 1 0 305.418 3.352 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](C)COC)c1cc(Br)ccc1O ZINC000045656566 659016187 /nfs/dbraw/zinc/01/61/87/659016187.db2.gz CRIDQSKPJSTKRC-GWCFXTLKSA-N 1 0 316.239 3.478 20 10 DGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000230299894 659324418 /nfs/dbraw/zinc/32/44/18/659324418.db2.gz FPJGXFZKYZGSCC-CQSZACIVSA-N 1 0 314.223 3.156 20 10 DGCDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000173484312 659388908 /nfs/dbraw/zinc/38/89/08/659388908.db2.gz WTDHKUBPKPHWRN-STQMWFEESA-N 1 0 309.431 3.227 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000179879607 659945269 /nfs/dbraw/zinc/94/52/69/659945269.db2.gz WVBLZSHYOPDSAR-UONOGXRCSA-N 1 0 320.433 3.442 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000182434330 660052924 /nfs/dbraw/zinc/05/29/24/660052924.db2.gz TZLAOMGTKOURLY-JTQLQIEISA-N 1 0 320.320 3.299 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2cccc(C#N)c2)c1 ZINC000182463115 660054625 /nfs/dbraw/zinc/05/46/25/660054625.db2.gz OLGJFECSIYCTFE-ZDUSSCGKSA-N 1 0 312.369 3.002 20 10 DGCDRO COc1cc(C[N@H+](C)C[C@H](C)c2nccs2)c(O)cc1C ZINC000182836073 660084389 /nfs/dbraw/zinc/08/43/89/660084389.db2.gz QSWLZGCCJDRLOI-LBPRGKRZSA-N 1 0 306.431 3.401 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCc2ccccc2C1 ZINC000183455726 660113603 /nfs/dbraw/zinc/11/36/03/660113603.db2.gz NVHOTRRHDOFQAY-CVEARBPZSA-N 1 0 310.441 3.490 20 10 DGCDRO CCc1nn(C)cc1C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000183444059 660114352 /nfs/dbraw/zinc/11/43/52/660114352.db2.gz WUPUTCXMWQRTEX-UHFFFAOYSA-N 1 0 300.450 3.071 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1O ZINC000183466262 660116614 /nfs/dbraw/zinc/11/66/14/660116614.db2.gz NOIZXYALTHHJNC-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO OCC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000184501856 660169990 /nfs/dbraw/zinc/16/99/90/660169990.db2.gz UKQGWAKELFSWQI-SFHVURJKSA-N 1 0 314.429 3.483 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929976232 661355073 /nfs/dbraw/zinc/35/50/73/661355073.db2.gz MKYPESAXGKCUEG-GXTWGEPZSA-N 1 0 303.324 3.324 20 10 DGCDRO Cc1cc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)ccc1N(C)C ZINC000931680238 661496968 /nfs/dbraw/zinc/49/69/68/661496968.db2.gz RXZUKIJVOCPDGW-UHFFFAOYSA-N 1 0 310.445 3.222 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCOC23CCCCC3)c1O ZINC000933876073 661664480 /nfs/dbraw/zinc/66/44/80/661664480.db2.gz ZRMRNXXORQQAEH-INIZCTEOSA-N 1 0 321.392 3.315 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](C)OC[C@H]3C)c2c1 ZINC000043751590 661849018 /nfs/dbraw/zinc/84/90/18/661849018.db2.gz BRBIVJKQPFIOQF-CHWSQXEVSA-N 1 0 301.386 3.163 20 10 DGCDRO CC[C@H]([NH2+][C@H]1COc2c(cccc2OC)C1)c1ccccc1O ZINC000155623306 661849733 /nfs/dbraw/zinc/84/97/33/661849733.db2.gz QLXNUTQRWNHGIR-ZBFHGGJFSA-N 1 0 313.397 3.445 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047505638 661877722 /nfs/dbraw/zinc/87/77/22/661877722.db2.gz CCXTWMJSIYGIBY-UHFFFAOYSA-N 1 0 313.401 3.118 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000075734920 661945432 /nfs/dbraw/zinc/94/54/32/661945432.db2.gz SFRVRNNNIJTKLD-LJQANCHMSA-N 1 0 316.420 3.495 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000188807623 661945897 /nfs/dbraw/zinc/94/58/97/661945897.db2.gz YNZCGZBFNFYOAI-RISCZKNCSA-N 1 0 321.314 3.105 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](CCC)Cc1ccccc1O ZINC000076074406 661966840 /nfs/dbraw/zinc/96/68/40/661966840.db2.gz TVLNVRNFBVTWNR-LSDHHAIUSA-N 1 0 306.450 3.298 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCOCC(F)F)cc1F ZINC000190901226 662048476 /nfs/dbraw/zinc/04/84/76/662048476.db2.gz DWOOMOPIRXRPEO-UHFFFAOYSA-N 1 0 304.356 3.043 20 10 DGCDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000191567292 662072621 /nfs/dbraw/zinc/07/26/21/662072621.db2.gz OQKHJLIHKYHOAO-QFBILLFUSA-N 1 0 312.457 3.315 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000191585647 662073177 /nfs/dbraw/zinc/07/31/77/662073177.db2.gz HERLZNQUANFHEM-XJKSGUPXSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000192684017 662107938 /nfs/dbraw/zinc/10/79/38/662107938.db2.gz GJDQTORADVOZTP-CHWSQXEVSA-N 1 0 308.422 3.264 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000192684051 662107944 /nfs/dbraw/zinc/10/79/44/662107944.db2.gz GJDQTORADVOZTP-STQMWFEESA-N 1 0 308.422 3.264 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C[C@H]1n1ccnc1 ZINC000246838478 662286024 /nfs/dbraw/zinc/28/60/24/662286024.db2.gz ZRJPDYFRFXXKFM-KBXCAEBGSA-N 1 0 311.429 3.161 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000092754480 662335242 /nfs/dbraw/zinc/33/52/42/662335242.db2.gz TZTDANJVVHUJEK-UHFFFAOYSA-N 1 0 320.433 3.001 20 10 DGCDRO COc1ccccc1CC[N@H+](C)Cc1cccc(OC)c1O ZINC000093105248 662344195 /nfs/dbraw/zinc/34/41/95/662344195.db2.gz YTCGHFMTGVIXEF-UHFFFAOYSA-N 1 0 301.386 3.084 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCc3ccc(F)cc3C2)c1O ZINC000093383757 662353623 /nfs/dbraw/zinc/35/36/23/662353623.db2.gz VAMZDCMZTLUXRK-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000093612218 662357724 /nfs/dbraw/zinc/35/77/24/662357724.db2.gz OGXWJNNHGKWSOY-OAHLLOKOSA-N 1 0 316.367 3.032 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1F ZINC000093820232 662360500 /nfs/dbraw/zinc/36/05/00/662360500.db2.gz DDMWTPOTXPIJDX-GOSISDBHSA-N 1 0 306.425 3.284 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000227679983 685118612 /nfs/dbraw/zinc/11/86/12/685118612.db2.gz NKDOUCHIBMBQAB-CYBMUJFWSA-N 1 0 308.422 3.006 20 10 DGCDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000378923332 685146327 /nfs/dbraw/zinc/14/63/27/685146327.db2.gz QODQOLFDAHQYCA-UHFFFAOYSA-N 1 0 324.852 3.172 20 10 DGCDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000389854495 685197100 /nfs/dbraw/zinc/19/71/00/685197100.db2.gz YNSWJNCBMVAJPH-ATZDWAIDSA-N 1 0 322.452 3.490 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc(C)nn2)c(C)n1-c1ccccc1 ZINC000396718830 685228086 /nfs/dbraw/zinc/22/80/86/685228086.db2.gz SEYHIAJBXJUMIG-UHFFFAOYSA-N 1 0 306.413 3.482 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000397887498 685233257 /nfs/dbraw/zinc/23/32/57/685233257.db2.gz QPMDOBSRCXFQOA-CYBMUJFWSA-N 1 0 320.433 3.218 20 10 DGCDRO CC[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)(C)C ZINC001577041434 1191881445 /nfs/dbraw/zinc/88/14/45/1191881445.db2.gz LPVIEINLBMBYLK-RDJZCZTQSA-N 1 0 319.493 3.331 20 10 DGCDRO CCCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001577400690 1191898033 /nfs/dbraw/zinc/89/80/33/1191898033.db2.gz FEBVXASCKYVQKJ-KRWDZBQOSA-N 1 0 305.466 3.009 20 10 DGCDRO CCN(CC[NH3+])C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001577721077 1191913526 /nfs/dbraw/zinc/91/35/26/1191913526.db2.gz SBFPJEZTBATQTC-UHFFFAOYSA-N 1 0 319.836 3.168 20 10 DGCDRO CC[NH2+]Cc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001577876015 1191917368 /nfs/dbraw/zinc/91/73/68/1191917368.db2.gz FWNJBADDTKJFTP-UHFFFAOYSA-N 1 0 311.385 3.049 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNc2nc3cccc(F)c3o2)cc1 ZINC001578424730 1191942797 /nfs/dbraw/zinc/94/27/97/1191942797.db2.gz SWTPUGPOEHHDQW-CQSZACIVSA-N 1 0 314.364 3.145 20 10 DGCDRO COc1cccc(N(CC(C)C)C(=O)/C=C/[C@H]2CCC[NH2+]C2)c1 ZINC001579280252 1191971645 /nfs/dbraw/zinc/97/16/45/1191971645.db2.gz GCKOFQFZACRRSJ-ZNFPLGDCSA-N 1 0 316.445 3.240 20 10 DGCDRO Cc1cc(C(=O)NC[C@H](C)C[NH3+])c(C)n1-c1cc(C)cc(C)c1 ZINC001579576762 1191980473 /nfs/dbraw/zinc/98/04/73/1191980473.db2.gz LRGJRSGOQPLDFI-CQSZACIVSA-N 1 0 313.445 3.036 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001579674068 1191985713 /nfs/dbraw/zinc/98/57/13/1191985713.db2.gz MMVGEBAKVSBBKG-FZMZJTMJSA-N 1 0 317.458 3.026 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001579673631 1191985716 /nfs/dbraw/zinc/98/57/16/1191985716.db2.gz AFVZIBASLKJTNG-RISCZKNCSA-N 1 0 317.458 3.026 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001579674069 1191985812 /nfs/dbraw/zinc/98/58/12/1191985812.db2.gz MMVGEBAKVSBBKG-RISCZKNCSA-N 1 0 317.458 3.026 20 10 DGCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCCc3c(Cl)cc(Cl)cc32)C1 ZINC001580171525 1192011956 /nfs/dbraw/zinc/01/19/56/1192011956.db2.gz REZIDCOGKVCELF-LLVKDONJSA-N 1 0 311.212 3.320 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC(C)(C)O2)c1O ZINC001660840518 1196532512 /nfs/dbraw/zinc/53/25/12/1196532512.db2.gz FYFSWRMQLURXBI-ZDUSSCGKSA-N 1 0 313.825 3.492 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2CCOCC23CCCC3)ccc1N(C)C ZINC001620676963 1192061829 /nfs/dbraw/zinc/06/18/29/1192061829.db2.gz HOQJYZOJTQVWNO-GOSISDBHSA-N 1 0 302.462 3.500 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2ccc3c[nH]nc3c2)n1 ZINC001620809778 1192098849 /nfs/dbraw/zinc/09/88/49/1192098849.db2.gz OUOQKAIESTZDCP-UHFFFAOYSA-N 1 0 304.444 3.291 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC001584189518 1192182969 /nfs/dbraw/zinc/18/29/69/1192182969.db2.gz DXDXWHURRFDSAW-CQSZACIVSA-N 1 0 313.445 3.164 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC(=O)NC(C)(C)C ZINC000388550257 1178073672 /nfs/dbraw/zinc/07/36/72/1178073672.db2.gz FRAAQRYNNNDKLJ-CHWSQXEVSA-N 1 0 304.434 3.143 20 10 DGCDRO OCC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC001333790214 1178673934 /nfs/dbraw/zinc/67/39/34/1178673934.db2.gz LYRCXDFWZIBNNF-LJQANCHMSA-N 1 0 302.462 3.318 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001334348310 1178752939 /nfs/dbraw/zinc/75/29/39/1178752939.db2.gz YVWFGWNULNCQDQ-SJORKVTESA-N 1 0 316.445 3.108 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c(O)c1OC ZINC001335051984 1178846610 /nfs/dbraw/zinc/84/66/10/1178846610.db2.gz TTXFOWNNMDVZJC-NSHDSACASA-N 1 0 315.360 3.325 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC(F)(F)F ZINC001335893913 1178967730 /nfs/dbraw/zinc/96/77/30/1178967730.db2.gz WVIQGERAPLVECN-HNNXBMFYSA-N 1 0 316.367 3.080 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(N(C)C)nc1 ZINC001342388629 1179137108 /nfs/dbraw/zinc/13/71/08/1179137108.db2.gz AVLONFOVPBQYDZ-UKRRQHHQSA-N 1 0 311.429 3.500 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCOC23CCCC3)cc1F ZINC001343321968 1179255542 /nfs/dbraw/zinc/25/55/42/1179255542.db2.gz YPUBVYPQFZETQV-MRXNPFEDSA-N 1 0 310.388 3.222 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC001345143631 1179532498 /nfs/dbraw/zinc/53/24/98/1179532498.db2.gz WIVWMLYJIGOMTF-JHJVBQTASA-N 1 0 310.388 3.178 20 10 DGCDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001345160043 1179535697 /nfs/dbraw/zinc/53/56/97/1179535697.db2.gz QDXQRFYGEOXFST-HNNXBMFYSA-N 1 0 312.413 3.080 20 10 DGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347236158 1179785586 /nfs/dbraw/zinc/78/55/86/1179785586.db2.gz WNBMRQJNGFUVKJ-NVXWUHKLSA-N 1 0 319.468 3.340 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC001347393940 1179802077 /nfs/dbraw/zinc/80/20/77/1179802077.db2.gz FLARZOBTWLPVQE-DYVFJYSZSA-N 1 0 319.445 3.309 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1F ZINC001351328574 1180201415 /nfs/dbraw/zinc/20/14/15/1180201415.db2.gz GBHAKFOLVFKIGP-ZWKOTPCHSA-N 1 0 324.415 3.326 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)c1OC ZINC001351948535 1180266469 /nfs/dbraw/zinc/26/64/69/1180266469.db2.gz MWYCGVVEMFCRQO-ZIAGYGMSSA-N 1 0 305.418 3.422 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2Cc3ccccc32)cc1F ZINC001200204828 1180449495 /nfs/dbraw/zinc/44/94/95/1180449495.db2.gz YLLPIYOXHHYFLL-CYBMUJFWSA-N 1 0 302.368 3.460 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC001353585547 1180598388 /nfs/dbraw/zinc/59/83/88/1180598388.db2.gz YBCHGDWXSGKBSL-INIZCTEOSA-N 1 0 301.386 3.187 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001354540337 1180833226 /nfs/dbraw/zinc/83/32/26/1180833226.db2.gz CERRPDZUFKLFTR-GOSISDBHSA-N 1 0 317.477 3.022 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC001355370361 1181046527 /nfs/dbraw/zinc/04/65/27/1181046527.db2.gz KHGIEJMYOIOUDP-PKOBYXMFSA-N 1 0 312.457 3.336 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c(O)c1 ZINC001474595863 1181593935 /nfs/dbraw/zinc/59/39/35/1181593935.db2.gz PVYRZNNXNRURBT-CQSZACIVSA-N 1 0 305.418 3.100 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)cc1 ZINC001460276853 1182671489 /nfs/dbraw/zinc/67/14/89/1182671489.db2.gz FJWYSIGLDVNGBR-FQEVSTJZSA-N 1 0 312.457 3.482 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC001605875563 1193181431 /nfs/dbraw/zinc/18/14/31/1193181431.db2.gz JIWKHEPMXGGZRI-CYBMUJFWSA-N 1 0 323.400 3.074 20 10 DGCDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001461264006 1182788067 /nfs/dbraw/zinc/78/80/67/1182788067.db2.gz BQRQTVOFCUKHPL-KRWDZBQOSA-N 1 0 306.425 3.331 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCOc2ncccc2F)cc1C ZINC001461355672 1182798741 /nfs/dbraw/zinc/79/87/41/1182798741.db2.gz MTUNMDXPZRFZAJ-UHFFFAOYSA-N 1 0 318.392 3.487 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1F ZINC001461387484 1182804014 /nfs/dbraw/zinc/80/40/14/1182804014.db2.gz LTWRFYBNWBSQGR-OAHLLOKOSA-N 1 0 312.404 3.467 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001461436006 1182814481 /nfs/dbraw/zinc/81/44/81/1182814481.db2.gz BUXOCMKUZZQMPL-LJQANCHMSA-N 1 0 303.446 3.433 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC001461530648 1182824246 /nfs/dbraw/zinc/82/42/46/1182824246.db2.gz SKWRVDMJVLXFKZ-QGZVFWFLSA-N 1 0 312.388 3.449 20 10 DGCDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001461643801 1182837560 /nfs/dbraw/zinc/83/75/60/1182837560.db2.gz OZWVCCHMBYGVCS-QAPCUYQASA-N 1 0 307.434 3.355 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(O)c1 ZINC001461872666 1182866898 /nfs/dbraw/zinc/86/68/98/1182866898.db2.gz WZKOJGLLRPIWKQ-FQEVSTJZSA-N 1 0 309.409 3.375 20 10 DGCDRO CC(C)C1(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC001462333938 1182941011 /nfs/dbraw/zinc/94/10/11/1182941011.db2.gz POZLEBYEUNSBIU-UHFFFAOYSA-N 1 0 324.415 3.327 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccc3ncccc23)c(O)c1OC ZINC001462572722 1182970392 /nfs/dbraw/zinc/97/03/92/1182970392.db2.gz HGBDXQQFAGCKHT-UHFFFAOYSA-N 1 0 324.380 3.247 20 10 DGCDRO CCOCCOC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001473107150 1183716239 /nfs/dbraw/zinc/71/62/39/1183716239.db2.gz BHTRJDFRSMOIBO-UHFFFAOYSA-N 1 0 320.477 3.079 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1N(C)C ZINC001473737492 1183795609 /nfs/dbraw/zinc/79/56/09/1183795609.db2.gz KRYFRZGGVIJHGU-QRQLOZEOSA-N 1 0 302.462 3.186 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001473956854 1183836976 /nfs/dbraw/zinc/83/69/76/1183836976.db2.gz BEWMNOCWCDIRSI-BCDXTJNWSA-N 1 0 300.446 3.192 20 10 DGCDRO CCc1cc(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)[nH]n1 ZINC001473997745 1183846940 /nfs/dbraw/zinc/84/69/40/1183846940.db2.gz MTCDIELWNNAMQN-UHFFFAOYSA-N 1 0 304.413 3.247 20 10 DGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1Cl ZINC001474012226 1183850345 /nfs/dbraw/zinc/85/03/45/1183850345.db2.gz FYUFIDFRYHRMMD-QGZVFWFLSA-N 1 0 317.816 3.488 20 10 DGCDRO Cc1nc2ccccn2c1C[NH2+]CCCSc1nccs1 ZINC001474018182 1183851287 /nfs/dbraw/zinc/85/12/87/1183851287.db2.gz ASKWHWKOCMSICW-UHFFFAOYSA-N 1 0 318.471 3.371 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCC(=O)OC(C)(C)C ZINC001474087709 1183865197 /nfs/dbraw/zinc/86/51/97/1183865197.db2.gz JWTSSCDVRROWEC-UHFFFAOYSA-N 1 0 302.418 3.308 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC001474137483 1183873345 /nfs/dbraw/zinc/87/33/45/1183873345.db2.gz FRXQDLGPWIGAFP-XJDXJNMNSA-N 1 0 313.489 3.372 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)O1 ZINC001474233458 1183887184 /nfs/dbraw/zinc/88/71/84/1183887184.db2.gz CKYFVEMDGIRUMO-HFAKWTLXSA-N 1 0 316.367 3.427 20 10 DGCDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(C(C)C)ccc2O)C1(C)C ZINC001474445669 1183923036 /nfs/dbraw/zinc/92/30/36/1183923036.db2.gz IRRKKWRJUNPFJF-MJGOQNOKSA-N 1 0 321.461 3.171 20 10 DGCDRO Cc1ccc(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)c(O)c1 ZINC001474513917 1183933807 /nfs/dbraw/zinc/93/38/07/1183933807.db2.gz XFRKLGZWTOYOCQ-UHFFFAOYSA-N 1 0 318.461 3.314 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c(O)c1 ZINC001474582369 1183944884 /nfs/dbraw/zinc/94/48/84/1183944884.db2.gz IOJAPAIWXQXMER-GOSISDBHSA-N 1 0 319.445 3.346 20 10 DGCDRO [O-]c1cc(Cl)ccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC001474647579 1183954491 /nfs/dbraw/zinc/95/44/91/1183954491.db2.gz NSEZSZJIURKKFZ-UHFFFAOYSA-N 1 0 308.853 3.257 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC001474646846 1183954951 /nfs/dbraw/zinc/95/49/51/1183954951.db2.gz JCRZIDXBBXEXMO-PKOBYXMFSA-N 1 0 318.461 3.273 20 10 DGCDRO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC001474683691 1183961897 /nfs/dbraw/zinc/96/18/97/1183961897.db2.gz PWEWSPAMYWYJGR-OAHLLOKOSA-N 1 0 316.367 3.214 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC001474716773 1183968224 /nfs/dbraw/zinc/96/82/24/1183968224.db2.gz SMCPNGXXEOMKKN-GFCCVEGCSA-N 1 0 316.367 3.382 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC001474743010 1183971058 /nfs/dbraw/zinc/97/10/58/1183971058.db2.gz XXLCCWRJYMRUSC-CABCVRRESA-N 1 0 321.417 3.001 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)C(C)(C)C)C2CC2)cc1C ZINC001480057418 1184421217 /nfs/dbraw/zinc/42/12/17/1184421217.db2.gz JPVCHNJOLXSXDG-MRXNPFEDSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@H](CNC(=O)[C@H](C)C1CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494960236 1184969912 /nfs/dbraw/zinc/96/99/12/1184969912.db2.gz IGYJCGCOTHZJEC-RHSMWYFYSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2CCCC2)cc1C ZINC001497128941 1185280484 /nfs/dbraw/zinc/28/04/84/1185280484.db2.gz GJRUDUQWUQUBFD-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC(C)C)cc1C ZINC001505547939 1186101370 /nfs/dbraw/zinc/10/13/70/1186101370.db2.gz QXWDWXZGDUBNNJ-GJZGRUSLSA-N 1 0 306.450 3.033 20 10 DGCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)C ZINC001537484511 1188078009 /nfs/dbraw/zinc/07/80/09/1188078009.db2.gz WXPKUGSCNQOJDN-YOEHRIQHSA-N 1 0 319.493 3.154 20 10 DGCDRO C[C@H](NC(=O)c1cc2c[nH]ccc-2n1)c1ccc(N(C)C)cc1 ZINC001556260525 1188992371 /nfs/dbraw/zinc/99/23/71/1188992371.db2.gz MDGABGZAPYYNNG-LBPRGKRZSA-N 1 0 308.385 3.120 20 10 DGCDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccccc1O ZINC001560074774 1189275459 /nfs/dbraw/zinc/27/54/59/1189275459.db2.gz FSVKIELDJDSVAA-NSHDSACASA-N 1 0 304.777 3.335 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1 ZINC001560135235 1189282359 /nfs/dbraw/zinc/28/23/59/1189282359.db2.gz HMNRIIYRBOOABS-PZJWPPBQSA-N 1 0 322.452 3.153 20 10 DGCDRO COc1ccccc1OCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001560246258 1189297850 /nfs/dbraw/zinc/29/78/50/1189297850.db2.gz QREIKHVVZSOKJH-UHFFFAOYSA-N 1 0 313.397 3.189 20 10 DGCDRO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC001560271560 1189303221 /nfs/dbraw/zinc/30/32/21/1189303221.db2.gz PKEYFUQBOMKIAV-IEBWSBKVSA-N 1 0 319.468 3.388 20 10 DGCDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560344414 1189315336 /nfs/dbraw/zinc/31/53/36/1189315336.db2.gz XIBBOJXAINJJGS-KRWDZBQOSA-N 1 0 314.420 3.308 20 10 DGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(Br)cn2C)c(O)c1 ZINC001560670306 1189357954 /nfs/dbraw/zinc/35/79/54/1189357954.db2.gz AMADIQZIYVGVAT-UHFFFAOYSA-N 1 0 323.234 3.434 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(F)c1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560749249 1189374646 /nfs/dbraw/zinc/37/46/46/1189374646.db2.gz DHFXHZRXYPNANJ-UKRRQHHQSA-N 1 0 306.425 3.274 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)c(O)c1 ZINC001560804546 1189385108 /nfs/dbraw/zinc/38/51/08/1189385108.db2.gz HCZINAOMZHXUKK-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)N(C)C)cc1 ZINC001561040075 1189424756 /nfs/dbraw/zinc/42/47/56/1189424756.db2.gz JLPLBUIZDLYJRC-LBKNJMOBSA-N 1 0 315.505 3.381 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cc3ccccc3[nH]c2=O)c1O ZINC001561053778 1189427919 /nfs/dbraw/zinc/42/79/19/1189427919.db2.gz KZPRYLLJXBOXEH-UHFFFAOYSA-N 1 0 308.381 3.498 20 10 DGCDRO CCCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001565838019 1189686890 /nfs/dbraw/zinc/68/68/90/1189686890.db2.gz XPHKESYPCOKNTJ-CALCHBBNSA-N 1 0 318.461 3.178 20 10 DGCDRO CC/C=C(/C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567092018 1190028651 /nfs/dbraw/zinc/02/86/51/1190028651.db2.gz SVKJITGLNOTZCJ-ZRBJYGNNSA-N 1 0 316.445 3.050 20 10 DGCDRO CCC(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567228102 1190080858 /nfs/dbraw/zinc/08/08/58/1190080858.db2.gz PASLLYRRUWLEJO-HNNXBMFYSA-N 1 0 320.477 3.424 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1CCCC1 ZINC001568719964 1190582624 /nfs/dbraw/zinc/58/26/24/1190582624.db2.gz XGCBPTNVHUWRHB-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C2CCC2)cc1C ZINC001568999678 1190606238 /nfs/dbraw/zinc/60/62/38/1190606238.db2.gz WOIKFANBSHXFRF-CABCVRRESA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC(C)C)cc1C ZINC001570586913 1190893116 /nfs/dbraw/zinc/89/31/16/1190893116.db2.gz FCUHNRGFTHIUHV-HZPDHXFCSA-N 1 0 320.477 3.423 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC(C)C)cc1C ZINC001570586912 1190893513 /nfs/dbraw/zinc/89/35/13/1190893513.db2.gz FCUHNRGFTHIUHV-HOTGVXAUSA-N 1 0 320.477 3.423 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](c3cn[nH]n3)C2)c1 ZINC001575455603 1191483604 /nfs/dbraw/zinc/48/36/04/1191483604.db2.gz ZOJGIJAQHDOXOD-AWEZNQCLSA-N 1 0 300.406 3.013 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1ccccc1O ZINC001620505375 1193774235 /nfs/dbraw/zinc/77/42/35/1193774235.db2.gz XWXMYLDONKWGBH-ZDUSSCGKSA-N 1 0 321.380 3.406 20 10 DGCDRO CC(C)[C@@H](CNCc1ccc(N(C)C)c(F)c1)[NH+]1CCCC1 ZINC001620713149 1193793893 /nfs/dbraw/zinc/79/38/93/1193793893.db2.gz VEDHOJZVUCPMSI-GOSISDBHSA-N 1 0 307.457 3.102 20 10 DGCDRO CCOCc1cc(C[NH2+]CCN2CCCCCC2)ccc1OC ZINC001620717381 1193794641 /nfs/dbraw/zinc/79/46/41/1193794641.db2.gz DALLQTVXTVGPAH-UHFFFAOYSA-N 1 0 320.477 3.197 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)cc1F ZINC001621069616 1193798592 /nfs/dbraw/zinc/79/85/92/1193798592.db2.gz FRYODIMQDFRGDJ-AWEZNQCLSA-N 1 0 324.415 3.470 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c2cc(F)ccc2n1C ZINC001621136599 1193806833 /nfs/dbraw/zinc/80/68/33/1193806833.db2.gz VXYDQCVYGQTPKA-NEPJUHHUSA-N 1 0 318.392 3.334 20 10 DGCDRO CN(C[C@]1(C)CCCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC001621233651 1193819660 /nfs/dbraw/zinc/81/96/60/1193819660.db2.gz SOYCGJBDIVWUNM-SFHVURJKSA-N 1 0 306.450 3.022 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC001621280903 1193826562 /nfs/dbraw/zinc/82/65/62/1193826562.db2.gz MMJMAURIDANACI-LJQANCHMSA-N 1 0 319.445 3.286 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1Cl ZINC001621363146 1193832941 /nfs/dbraw/zinc/83/29/41/1193832941.db2.gz BILNGPMFEWXXJB-INIZCTEOSA-N 1 0 319.832 3.389 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1(CO)CC=CC1 ZINC001621405661 1193838238 /nfs/dbraw/zinc/83/82/38/1193838238.db2.gz AGOUUFCHNSJAAA-IBGZPJMESA-N 1 0 315.457 3.455 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]CCc3ccc(C)cc3)C2)cc1 ZINC001621435103 1193842389 /nfs/dbraw/zinc/84/23/89/1193842389.db2.gz PVEUENIVFSBGRU-GOSISDBHSA-N 1 0 310.441 3.415 20 10 DGCDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001621458093 1193845102 /nfs/dbraw/zinc/84/51/02/1193845102.db2.gz WXKDPIWBAGMBSJ-WFASDCNBSA-N 1 0 312.404 3.223 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001641902226 1194877717 /nfs/dbraw/zinc/87/77/17/1194877717.db2.gz KJIDDQHRPPSZIJ-HKUYNNGSSA-N 1 0 319.445 3.332 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)ccc1N1CCCCC1 ZINC001642906455 1194952768 /nfs/dbraw/zinc/95/27/68/1194952768.db2.gz RZCBDUPYIXPZBC-WMZOPIPTSA-N 1 0 302.462 3.188 20 10 DGCDRO CCN(C)c1ccc(CN2CC[NH+](C(C)(C)CC)CC2)cc1 ZINC001646508666 1195231799 /nfs/dbraw/zinc/23/17/99/1195231799.db2.gz KGJMKZJNGCZRKQ-UHFFFAOYSA-N 1 0 303.494 3.449 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)ccc1N(C)C ZINC001648006763 1195270851 /nfs/dbraw/zinc/27/08/51/1195270851.db2.gz QQPUDLRVMRLKJZ-JQHSSLGASA-N 1 0 302.462 3.042 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCCO1 ZINC001651269066 1195435902 /nfs/dbraw/zinc/43/59/02/1195435902.db2.gz JEEKVIHYIJONNP-RDJZCZTQSA-N 1 0 312.404 3.468 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c[nH]nc2-c2cccnc2)c1 ZINC001651273314 1195435923 /nfs/dbraw/zinc/43/59/23/1195435923.db2.gz DXOXWOXDKZRHMN-GFCCVEGCSA-N 1 0 324.384 3.037 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CC([N@H+](C)Cc2ccccc2)C1 ZINC001652623449 1195627352 /nfs/dbraw/zinc/62/73/52/1195627352.db2.gz QVXZDYHOOWHBAD-UHFFFAOYSA-N 1 0 323.484 3.377 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCSC[C@H]2C2CCC2)c1O ZINC001652696443 1195637497 /nfs/dbraw/zinc/63/74/97/1195637497.db2.gz WLFKXKHWRYWWDR-HNNXBMFYSA-N 1 0 307.459 3.427 20 10 DGCDRO CCC(C)(C)[NH+]1CCN(Cc2c(C)cc(OC)cc2O)CC1 ZINC001652744961 1195644844 /nfs/dbraw/zinc/64/48/44/1195644844.db2.gz NZKNYZNWBDJMRQ-UHFFFAOYSA-N 1 0 306.450 3.015 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001652740583 1195645314 /nfs/dbraw/zinc/64/53/14/1195645314.db2.gz XYSLNXLLOWXSFH-OAGGEKHMSA-N 1 0 320.477 3.103 20 10 DGCDRO CCc1cccc(C[N@H+](CC)CCNC(=O)OC(C)(C)C)c1O ZINC001652831222 1195657764 /nfs/dbraw/zinc/65/77/64/1195657764.db2.gz FGABKHVYPXWBKP-UHFFFAOYSA-N 1 0 322.449 3.301 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC001652878416 1195664687 /nfs/dbraw/zinc/66/46/87/1195664687.db2.gz KKLOMFKEFNUEIF-GFCCVEGCSA-N 1 0 319.714 3.135 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000067980199 1195687044 /nfs/dbraw/zinc/68/70/44/1195687044.db2.gz BDKHNYRNYWKAIO-UHFFFAOYSA-N 1 0 321.424 3.499 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCCC23OCCO3)cc1 ZINC001653246666 1195703562 /nfs/dbraw/zinc/70/35/62/1195703562.db2.gz WFDYNENSTHWBKM-DUMMIQTOSA-N 1 0 316.445 3.041 20 10 DGCDRO C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCC[C@@H](C)C1 ZINC001655283039 1195899532 /nfs/dbraw/zinc/89/95/32/1195899532.db2.gz WYJJPMSUIYFKII-IJKBJJPYSA-N 1 0 315.505 3.476 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N1CCC(C)CC1 ZINC001655454656 1195920098 /nfs/dbraw/zinc/92/00/98/1195920098.db2.gz PIIFMLNKWOVJFG-SFHVURJKSA-N 1 0 315.505 3.497 20 10 DGCDRO COc1cc(C)c(C[NH2+]CCCSc2nccs2)c(C)n1 ZINC001655688072 1195950389 /nfs/dbraw/zinc/95/03/89/1195950389.db2.gz RIQHOWQCQQTJPD-UHFFFAOYSA-N 1 0 323.487 3.436 20 10 DGCDRO CC(C)C[C@H](CCO)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001655699113 1195952551 /nfs/dbraw/zinc/95/25/51/1195952551.db2.gz KTIMIUCJIJAMKX-SFHVURJKSA-N 1 0 304.478 3.421 20 10 DGCDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001655951101 1195982023 /nfs/dbraw/zinc/98/20/23/1195982023.db2.gz YZZJZIXMVNSYMV-UHFFFAOYSA-N 1 0 318.461 3.042 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2COc3ccccc3O2)c(Cl)c1 ZINC001655999018 1195986786 /nfs/dbraw/zinc/98/67/86/1195986786.db2.gz UHFCJQLRUCWTSO-GFCCVEGCSA-N 1 0 319.788 3.284 20 10 DGCDRO COc1cccc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001656057252 1195993515 /nfs/dbraw/zinc/99/35/15/1195993515.db2.gz BAECSYXIAROSMI-UHFFFAOYSA-N 1 0 320.383 3.372 20 10 DGCDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001656268511 1196025563 /nfs/dbraw/zinc/02/55/63/1196025563.db2.gz KKHVDLNJZUCHGY-MSOLQXFVSA-N 1 0 302.462 3.439 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1c(C)c2ccccc2n1C ZINC001656292622 1196027611 /nfs/dbraw/zinc/02/76/11/1196027611.db2.gz YSQFCOCPMIGSKC-AWEZNQCLSA-N 1 0 315.461 3.129 20 10 DGCDRO COc1cc[nH+]c(NCc2c(O)cccc2Br)c1 ZINC001657087626 1196103494 /nfs/dbraw/zinc/10/34/94/1196103494.db2.gz ISFOQDSQOVHMIU-UHFFFAOYSA-N 1 0 309.163 3.170 20 10 DGCDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001657566036 1196155816 /nfs/dbraw/zinc/15/58/16/1196155816.db2.gz OJGMCICPONCWGR-UHFFFAOYSA-N 1 0 319.445 3.469 20 10 DGCDRO C[C@H](CN1CCC(C)CC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001657669153 1196167304 /nfs/dbraw/zinc/16/73/04/1196167304.db2.gz MYNPXVXAWMNVJR-DUMMIQTOSA-N 1 0 315.505 3.476 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1F ZINC001657676721 1196168241 /nfs/dbraw/zinc/16/82/41/1196168241.db2.gz OOKJTLIARUZHPC-DLBZAZTESA-N 1 0 306.425 3.065 20 10 DGCDRO CCc1cccc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c1O ZINC001657731065 1196173095 /nfs/dbraw/zinc/17/30/95/1196173095.db2.gz SVSBHALYUQPZNH-UHFFFAOYSA-N 1 0 322.449 3.253 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC001657921107 1196193682 /nfs/dbraw/zinc/19/36/82/1196193682.db2.gz PDBDKSHZDRKEGH-BEFAXECRSA-N 1 0 319.445 3.286 20 10 DGCDRO CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]Cc1cc(C)ccc1O)C2 ZINC001658588341 1196276714 /nfs/dbraw/zinc/27/67/14/1196276714.db2.gz ZHIHIVOVHGZGND-GJYPPUQNSA-N 1 0 317.429 3.302 20 10 DGCDRO COc1ccc(F)cc1CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001658600033 1196278385 /nfs/dbraw/zinc/27/83/85/1196278385.db2.gz HGRPOTVWUOJCPW-UHFFFAOYSA-N 1 0 320.383 3.372 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1 ZINC001658803564 1196303861 /nfs/dbraw/zinc/30/38/61/1196303861.db2.gz SFVRGDUPHUEZSN-UHFFFAOYSA-N 1 0 318.461 3.206 20 10 DGCDRO CCC1([NH+]2CCC2)CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001658926372 1196319775 /nfs/dbraw/zinc/31/97/75/1196319775.db2.gz HOUZDYYFZNNWAD-UHFFFAOYSA-N 1 0 310.388 3.121 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC001658929315 1196321356 /nfs/dbraw/zinc/32/13/56/1196321356.db2.gz JXLJWGUFNKXYLD-UKRRQHHQSA-N 1 0 320.433 3.046 20 10 DGCDRO COc1cc(C)c(C[NH2+]CCc2cc(C)ccc2F)c(O)c1 ZINC001659227422 1196361467 /nfs/dbraw/zinc/36/14/67/1196361467.db2.gz NQDHBSAINFTZMF-UHFFFAOYSA-N 1 0 303.377 3.489 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC001659250726 1196363323 /nfs/dbraw/zinc/36/33/23/1196363323.db2.gz VXUMDTXTKIZHPZ-KSSFIOAISA-N 1 0 307.434 3.250 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001659250571 1196363509 /nfs/dbraw/zinc/36/35/09/1196363509.db2.gz UQQZWIZTJDCXCT-UHFFFAOYSA-N 1 0 300.255 3.235 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H]2CSc3ccccc3O2)c(O)c1 ZINC001659535438 1196392688 /nfs/dbraw/zinc/39/26/88/1196392688.db2.gz XDAXZLMUDBWDNB-CQSZACIVSA-N 1 0 301.411 3.344 20 10 DGCDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2CO)c(O)c(C(C)(C)C)c1 ZINC001659568977 1196396451 /nfs/dbraw/zinc/39/64/51/1196396451.db2.gz PNLOXHFJQAPFHE-OAHLLOKOSA-N 1 0 321.461 3.435 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(Cl)cncc2Cl)c(O)c1 ZINC001659584438 1196397094 /nfs/dbraw/zinc/39/70/94/1196397094.db2.gz WKBQZXFAZQWVGY-UHFFFAOYSA-N 1 0 313.184 3.392 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccn3C(F)F)C2)cc1 ZINC001659645729 1196402823 /nfs/dbraw/zinc/40/28/23/1196402823.db2.gz HKWCCUYOTQPCJN-CYBMUJFWSA-N 1 0 321.371 3.260 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC001659653358 1196403065 /nfs/dbraw/zinc/40/30/65/1196403065.db2.gz ZLQMAODYEMEEQW-KRWDZBQOSA-N 1 0 303.494 3.271 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1F ZINC001659867803 1196423876 /nfs/dbraw/zinc/42/38/76/1196423876.db2.gz HENNMFWPGGWVMW-OAHLLOKOSA-N 1 0 324.415 3.279 20 10 DGCDRO CC1=CC[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001660178927 1196454766 /nfs/dbraw/zinc/45/47/66/1196454766.db2.gz YWATTWPTAKFEQY-HKUYNNGSSA-N 1 0 301.478 3.444 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1 ZINC001660327343 1196471895 /nfs/dbraw/zinc/47/18/95/1196471895.db2.gz MMRPFLHOWGFQAL-IBGZPJMESA-N 1 0 315.413 3.219 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC001660773075 1196522703 /nfs/dbraw/zinc/52/27/03/1196522703.db2.gz MOSMFLQFRHPXJQ-UHFFFAOYSA-N 1 0 302.393 3.233 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001661351177 1196596948 /nfs/dbraw/zinc/59/69/48/1196596948.db2.gz MSRRZMNSRJXQLR-GFCCVEGCSA-N 1 0 314.832 3.395 20 10 DGCDRO C[C@@H](CCc1cccn1C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001661445112 1196606355 /nfs/dbraw/zinc/60/63/55/1196606355.db2.gz JWJSNJQPGQJIGY-AWEZNQCLSA-N 1 0 303.425 3.341 20 10 DGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)C1(O)CCCC1 ZINC001662662100 1196738451 /nfs/dbraw/zinc/73/84/51/1196738451.db2.gz ARVNSZDOPRWPSB-UHFFFAOYSA-N 1 0 303.446 3.433 20 10 DGCDRO COc1ccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)cc1C ZINC001662945489 1196774685 /nfs/dbraw/zinc/77/46/85/1196774685.db2.gz AIMBGAQZOOLYHD-LJQANCHMSA-N 1 0 313.397 3.323 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)cc1C ZINC001662945487 1196774775 /nfs/dbraw/zinc/77/47/75/1196774775.db2.gz AIMBGAQZOOLYHD-IBGZPJMESA-N 1 0 313.397 3.323 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC001663554647 1196903588 /nfs/dbraw/zinc/90/35/88/1196903588.db2.gz JKUKLHBZAAHYOO-MRXNPFEDSA-N 1 0 302.462 3.433 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(O)c1 ZINC001664820996 1197063122 /nfs/dbraw/zinc/06/31/22/1197063122.db2.gz FWCYWRBSOYESTF-SFHVURJKSA-N 1 0 317.429 3.100 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(F)ccc2O)cc1 ZINC001665164621 1197103943 /nfs/dbraw/zinc/10/39/43/1197103943.db2.gz UHGMSEMOBJFTSN-UHFFFAOYSA-N 1 0 318.392 3.108 20 10 DGCDRO COCCOC[C@H](C)[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC001665434349 1197137189 /nfs/dbraw/zinc/13/71/89/1197137189.db2.gz GTNMLLAHKBDDRO-HNNXBMFYSA-N 1 0 316.445 3.235 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1 ZINC001665449699 1197138757 /nfs/dbraw/zinc/13/87/57/1197138757.db2.gz ALSIIQFGWJNJFV-SFHVURJKSA-N 1 0 324.424 3.432 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CC[C@]3(CO[C@H](C)C3)O2)c1 ZINC001665688071 1197171890 /nfs/dbraw/zinc/17/18/90/1197171890.db2.gz LSIGCHKRVLVHMJ-BJZITVGISA-N 1 0 319.445 3.332 20 10 DGCDRO COc1ccc(C[NH2+]C[C@]2(NC(C)=O)CCCC[C@H]2C)cc1C ZINC001666043239 1197230073 /nfs/dbraw/zinc/23/00/73/1197230073.db2.gz KBNRVCAYORXKFN-DNVCBOLYSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC2CCC2)cc1C ZINC001666876739 1197293221 /nfs/dbraw/zinc/29/32/21/1197293221.db2.gz KCOIGEIIUIPEMC-HNNXBMFYSA-N 1 0 318.461 3.130 20 10 DGCDRO [NH3+]CCc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000321770343 1197686438 /nfs/dbraw/zinc/68/64/38/1197686438.db2.gz OCCWBTVGIDWWCI-UHFFFAOYSA-N 1 0 309.413 3.040 20 10 DGCDRO CNC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)cc1 ZINC000323932274 1197691693 /nfs/dbraw/zinc/69/16/93/1197691693.db2.gz ZSJCPTUNCLSOAQ-CJNGLKHVSA-N 1 0 324.424 3.398 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC2CC2)cc1C ZINC001674647266 1197819793 /nfs/dbraw/zinc/81/97/93/1197819793.db2.gz NUFZRQOITSVFKK-HUUCEWRRSA-N 1 0 318.461 3.177 20 10 DGCDRO CCC(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCCC1 ZINC001675160155 1197997154 /nfs/dbraw/zinc/99/71/54/1197997154.db2.gz KXWZHKUPNNTFBP-UHFFFAOYSA-N 1 0 318.461 3.322 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1C ZINC000105368382 1199537577 /nfs/dbraw/zinc/53/75/77/1199537577.db2.gz WGAXCKVUMYJQJM-LJQANCHMSA-N 1 0 310.441 3.368 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000317436995 1199825262 /nfs/dbraw/zinc/82/52/62/1199825262.db2.gz RIDHKLVPAKXAMT-FRRDWIJNSA-N 1 0 304.434 3.142 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC[C@@]3(CCC[NH2+]C3)C2)c1O ZINC000318839834 1199835390 /nfs/dbraw/zinc/83/53/90/1199835390.db2.gz HYSXNOFBMSTKAC-QGZVFWFLSA-N 1 0 324.852 3.020 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C(C)(C)C)cc1C ZINC001754231615 1200143465 /nfs/dbraw/zinc/14/34/65/1200143465.db2.gz NYYAMXKOOFJEFZ-CABCVRRESA-N 1 0 320.477 3.280 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(C)CCC2)cc1C ZINC001755247356 1200732460 /nfs/dbraw/zinc/73/24/60/1200732460.db2.gz ATGUKPAORGCHSQ-CABCVRRESA-N 1 0 318.461 3.177 20 10 DGCDRO CC[C@@H](C)[C@H](C)C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753245611 1202188660 /nfs/dbraw/zinc/18/86/60/1202188660.db2.gz DYAYRUZNFFKIFP-ZBFHGGJFSA-N 1 0 320.477 3.234 20 10 DGCDRO C[C@@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000227579026 1202568125 /nfs/dbraw/zinc/56/81/25/1202568125.db2.gz KNKWDCYQPUPGOO-PNESKVBLSA-N 1 0 306.406 3.099 20 10 DGCDRO C[C@H]1CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@H](C)C1 ZINC000237610720 1202682686 /nfs/dbraw/zinc/68/26/86/1202682686.db2.gz JUWGKVMCHHGQTB-HZPDHXFCSA-N 1 0 302.462 3.438 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)C(C)C)cc1C ZINC001715260798 1203305106 /nfs/dbraw/zinc/30/51/06/1203305106.db2.gz YIBPNDGEZRPBCR-ZBFHGGJFSA-N 1 0 320.477 3.138 20 10 DGCDRO C/C=C(/C)C(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001715540076 1203368029 /nfs/dbraw/zinc/36/80/29/1203368029.db2.gz TXTCYDGLUOVDGD-ROOCWEIGSA-N 1 0 318.461 3.200 20 10 DGCDRO C=C/C(C)=C\CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715989647 1203416955 /nfs/dbraw/zinc/41/69/55/1203416955.db2.gz GUIWXILMZNYIIK-VFXTVZEFSA-N 1 0 316.445 3.120 20 10 DGCDRO COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)c(O)c1 ZINC000162447923 1203455564 /nfs/dbraw/zinc/45/55/64/1203455564.db2.gz MKTZQXFUFVNWKK-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO Cc1csc(C[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000691440266 1081714646 /nfs/dbraw/zinc/71/46/46/1081714646.db2.gz PHOMENMFJSFFAA-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO Cc1noc(C)c1C[NH2+]Cc1ccc(Br)cc1O ZINC000691462918 1081805085 /nfs/dbraw/zinc/80/50/85/1081805085.db2.gz NLNFLJSAIHTMKX-UHFFFAOYSA-N 1 0 311.179 3.049 20 10 DGCDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691489101 1081924943 /nfs/dbraw/zinc/92/49/43/1081924943.db2.gz PSSWIIHDMKGBHT-AWEZNQCLSA-N 1 0 316.239 3.041 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC001140178350 1081936381 /nfs/dbraw/zinc/93/63/81/1081936381.db2.gz JDGLEGUJSDXFDR-OAHLLOKOSA-N 1 0 317.351 3.288 20 10 DGCDRO COc1c[nH+]ccc1Nc1cc(Br)c(C)cc1O ZINC001211264142 1082101646 /nfs/dbraw/zinc/10/16/46/1082101646.db2.gz WXDPTTQQYWEDAB-UHFFFAOYSA-N 1 0 309.163 3.032 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140338098 1082143009 /nfs/dbraw/zinc/14/30/09/1082143009.db2.gz VCFZHAPFKWBGQP-LBPRGKRZSA-N 1 0 311.809 3.211 20 10 DGCDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001170272611 1082332328 /nfs/dbraw/zinc/33/23/28/1082332328.db2.gz JYISGVYZFIOXEY-OAHLLOKOSA-N 1 0 324.852 3.164 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC2(C)C)cc1C ZINC001266963879 1082381787 /nfs/dbraw/zinc/38/17/87/1082381787.db2.gz IQLKNRNJYOWFPH-HOCLYGCPSA-N 1 0 318.461 3.034 20 10 DGCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1cc(Br)ccc1O ZINC000694082129 1082908972 /nfs/dbraw/zinc/90/89/72/1082908972.db2.gz OKORWBMUFQJZBU-LLVKDONJSA-N 1 0 321.218 3.271 20 10 DGCDRO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000378924161 1083221361 /nfs/dbraw/zinc/22/13/61/1083221361.db2.gz RHNQLUCLWMHECD-QGZVFWFLSA-N 1 0 301.478 3.251 20 10 DGCDRO C=Cc1ccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001134204286 1083253919 /nfs/dbraw/zinc/25/39/19/1083253919.db2.gz ANCUQWHJZUGEQK-UHFFFAOYSA-N 1 0 324.424 3.166 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(C)CC2)cc1C ZINC001134435838 1083291528 /nfs/dbraw/zinc/29/15/28/1083291528.db2.gz QFMRKIBDPLTZPO-GJZGRUSLSA-N 1 0 318.461 3.177 20 10 DGCDRO CC[C@@H](CNC(=O)C=C1CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267800957 1083355216 /nfs/dbraw/zinc/35/52/16/1083355216.db2.gz ITXKEFRDDTUSTP-KRWDZBQOSA-N 1 0 316.445 3.098 20 10 DGCDRO C[C@](O)(CC[NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001181114141 1083407748 /nfs/dbraw/zinc/40/77/48/1083407748.db2.gz SBZRILNYFPZOKS-KRWDZBQOSA-N 1 0 305.805 3.433 20 10 DGCDRO C[N@H+](Cc1cnc2n1CCC2)Cc1ccc(N2CCCC2)cc1 ZINC001181554447 1083490717 /nfs/dbraw/zinc/49/07/17/1083490717.db2.gz DLYRBKKSNHDTBD-UHFFFAOYSA-N 1 0 310.445 3.062 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC001182977491 1083857841 /nfs/dbraw/zinc/85/78/41/1083857841.db2.gz FKHRTOASNXCKOU-AWEZNQCLSA-N 1 0 318.461 3.252 20 10 DGCDRO O=c1[nH]c2cc(F)ccc2cc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC001183453257 1083951550 /nfs/dbraw/zinc/95/15/50/1083951550.db2.gz BQNLDLWXGVYBNK-UHFFFAOYSA-N 1 0 310.328 3.301 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c(O)c1 ZINC001183673277 1083995243 /nfs/dbraw/zinc/99/52/43/1083995243.db2.gz PQZWUNGZTQKRSR-CYBMUJFWSA-N 1 0 318.442 3.464 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001183832242 1084038870 /nfs/dbraw/zinc/03/88/70/1084038870.db2.gz ILSWYIJVDNBWQG-SAABIXHNSA-N 1 0 317.816 3.228 20 10 DGCDRO CCC1([NH+]2CCC2)CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001207582052 1084082823 /nfs/dbraw/zinc/08/28/23/1084082823.db2.gz TVPXSVVKSDANEA-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO CC[C@@H](CNC(=O)C(C)(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269497476 1085427466 /nfs/dbraw/zinc/42/74/66/1085427466.db2.gz GPSIHXUYSSDTCT-HNNXBMFYSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)CC2(C)CCCC2)cc1C ZINC001126650780 1086999643 /nfs/dbraw/zinc/99/96/43/1086999643.db2.gz UITHAGXIMSRODP-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO C[N@H+](CCOC(C)(C)C)Cc1cc(Br)ccc1O ZINC000690113992 1087356651 /nfs/dbraw/zinc/35/66/51/1087356651.db2.gz HKBFYUXXQYVXHY-UHFFFAOYSA-N 1 0 316.239 3.402 20 10 DGCDRO O=C(c1ccncc1)c1ccccc1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001160263942 1088732020 /nfs/dbraw/zinc/73/20/20/1088732020.db2.gz NSYYOBFDQLKQRK-CABCVRRESA-N 1 0 305.381 3.133 20 10 DGCDRO Nc1ccc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001155629281 1089193158 /nfs/dbraw/zinc/19/31/58/1089193158.db2.gz GTYKMSMXOIUPGS-IXIUHKBRSA-N 1 0 324.472 3.063 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C1([NH3+])CCCC1 ZINC001157435807 1089965305 /nfs/dbraw/zinc/96/53/05/1089965305.db2.gz WGCZXWLKZQSRPM-MRXNPFEDSA-N 1 0 316.445 3.020 20 10 DGCDRO Fc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001203180990 1090704314 /nfs/dbraw/zinc/70/43/14/1090704314.db2.gz KPUKADQYFYMHAW-QGZVFWFLSA-N 1 0 313.372 3.244 20 10 DGCDRO CCc1nc(C)c(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)[nH]1 ZINC001203248154 1090708128 /nfs/dbraw/zinc/70/81/28/1090708128.db2.gz PKBDWHPAECEGMR-UHFFFAOYSA-N 1 0 300.450 3.369 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1cccc(OC)c1OC ZINC001203453545 1090737601 /nfs/dbraw/zinc/73/76/01/1090737601.db2.gz ZLCNRNBARDAYMJ-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC001203491514 1090742876 /nfs/dbraw/zinc/74/28/76/1090742876.db2.gz MKYUKVIUOKSHJD-MRXNPFEDSA-N 1 0 312.413 3.021 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@H]1NC(=O)OC(C)(C)C ZINC001203549937 1090752775 /nfs/dbraw/zinc/75/27/75/1090752775.db2.gz DGMCZLRRASGDJP-UKRRQHHQSA-N 1 0 320.433 3.127 20 10 DGCDRO CCOc1cccc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1O ZINC001203617605 1090767622 /nfs/dbraw/zinc/76/76/22/1090767622.db2.gz RMFKHIFIWQAYSU-MRXNPFEDSA-N 1 0 313.397 3.226 20 10 DGCDRO COC(=O)CC[N@H+](Cc1cc(Cl)ccc1O)C1CCCC1 ZINC001203657152 1090774161 /nfs/dbraw/zinc/77/41/61/1090774161.db2.gz GRGXJSRGYVBKLH-UHFFFAOYSA-N 1 0 311.809 3.353 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C2CCCC2)C2CCN(C)CC2)c1 ZINC001203684328 1090779784 /nfs/dbraw/zinc/77/97/84/1090779784.db2.gz RTMNSLMORGLUIR-UHFFFAOYSA-N 1 0 318.461 3.240 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH+](CC3CCCC3)CC2)cc1 ZINC001203933923 1090843075 /nfs/dbraw/zinc/84/30/75/1090843075.db2.gz HOZLXZCLUQTLRC-UHFFFAOYSA-N 1 0 301.478 3.060 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)cc1 ZINC001203933949 1090843292 /nfs/dbraw/zinc/84/32/92/1090843292.db2.gz IFGKNKBOXWPOLU-LJQANCHMSA-N 1 0 311.429 3.191 20 10 DGCDRO COC(=O)c1cccc2c1CN(Cc1ccc(N(C)C)cc1)CC2 ZINC001203936258 1090843540 /nfs/dbraw/zinc/84/35/40/1090843540.db2.gz FTJMAXAVMBBNRZ-UHFFFAOYSA-N 1 0 324.424 3.098 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC(=O)OC)C2CCCC2)cc1 ZINC001203942399 1090845019 /nfs/dbraw/zinc/84/50/19/1090845019.db2.gz PASQZGZPYJGIMQ-UHFFFAOYSA-N 1 0 318.461 3.450 20 10 DGCDRO CCOC(OCC)[C@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001204137435 1090907518 /nfs/dbraw/zinc/90/75/18/1090907518.db2.gz VZNDINVLJGBFIM-AWEZNQCLSA-N 1 0 304.434 3.364 20 10 DGCDRO Oc1ccc(C[N@H+](Cc2ccccc2)C2CCOCC2)c(O)c1 ZINC001204278819 1090938842 /nfs/dbraw/zinc/93/88/42/1090938842.db2.gz KIERMBLOUBCKIF-UHFFFAOYSA-N 1 0 313.397 3.279 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC001204327284 1090949708 /nfs/dbraw/zinc/94/97/08/1090949708.db2.gz PCABUDNARXDTHY-UHFFFAOYSA-N 1 0 313.489 3.347 20 10 DGCDRO CC[N@H+](C)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329591 1090950873 /nfs/dbraw/zinc/95/08/73/1090950873.db2.gz REARUYFCLROFDE-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CCC3(CC3)C2)c1O ZINC001204337707 1090951530 /nfs/dbraw/zinc/95/15/30/1090951530.db2.gz KXWLXIXJUPRLHA-UHFFFAOYSA-N 1 0 312.207 3.149 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc(F)c(C)c3)CC2)cc1 ZINC001205155321 1091114576 /nfs/dbraw/zinc/11/45/76/1091114576.db2.gz YRCVKPMWJVOULB-UHFFFAOYSA-N 1 0 314.404 3.465 20 10 DGCDRO CCOCC[NH+](CCOCC)Cc1c(C)n(C)c2ccccc21 ZINC001138258051 1091125988 /nfs/dbraw/zinc/12/59/88/1091125988.db2.gz JMNOKOQUVGPKKO-UHFFFAOYSA-N 1 0 318.461 3.362 20 10 DGCDRO Cc1c(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252583 1091126275 /nfs/dbraw/zinc/12/62/75/1091126275.db2.gz MMZDVRCUIPQWRR-IFXJQAMLSA-N 1 0 300.446 3.470 20 10 DGCDRO Cc1noc([C@@H]2CC[N@@H+](Cc3c(C)n(C)c4ccccc43)C2)n1 ZINC001138258673 1091127464 /nfs/dbraw/zinc/12/74/64/1091127464.db2.gz YILZXKRHMRCHRG-CQSZACIVSA-N 1 0 310.401 3.168 20 10 DGCDRO Cc1c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c2ccccc2n1C ZINC001138258356 1091127520 /nfs/dbraw/zinc/12/75/20/1091127520.db2.gz QWBBOKMOQZOZBR-OKILXGFUSA-N 1 0 320.383 3.200 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3nccnc23)cc1 ZINC001138307821 1091137024 /nfs/dbraw/zinc/13/70/24/1091137024.db2.gz NNPPKZGZUSBAIT-UHFFFAOYSA-N 1 0 306.413 3.328 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc(O)cc(O)c1 ZINC001138329645 1091141986 /nfs/dbraw/zinc/14/19/86/1091141986.db2.gz BTNNMZRURASFTN-UHFFFAOYSA-N 1 0 312.413 3.330 20 10 DGCDRO CC1(C)CCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337951 1091145249 /nfs/dbraw/zinc/14/52/49/1091145249.db2.gz HOFSFHFFLAZTFG-UHFFFAOYSA-N 1 0 300.446 3.465 20 10 DGCDRO Oc1c(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001138339028 1091146557 /nfs/dbraw/zinc/14/65/57/1091146557.db2.gz ZYYYSEHCZLYGPO-HOTGVXAUSA-N 1 0 312.457 3.323 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)ccc21 ZINC001138354253 1091150113 /nfs/dbraw/zinc/15/01/13/1091150113.db2.gz CDVDXZILOQACOP-PKOBYXMFSA-N 1 0 300.446 3.070 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCC(=O)[C@H]4CCCC[C@H]43)ccc21 ZINC001138354860 1091150777 /nfs/dbraw/zinc/15/07/77/1091150777.db2.gz WWVKLYFMVQGNTO-PKOBYXMFSA-N 1 0 312.457 3.403 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCC[C@@]1(C)O ZINC001138354346 1091150788 /nfs/dbraw/zinc/15/07/88/1091150788.db2.gz GIDCZNQYBAJPSD-HNAYVOBHSA-N 1 0 302.462 3.052 20 10 DGCDRO CN1CCCc2cc(C[N@H+](C)Cc3ccc4c(c3)OCO4)ccc21 ZINC001138356969 1091150862 /nfs/dbraw/zinc/15/08/62/1091150862.db2.gz WNQVGLYEKCDWEQ-UHFFFAOYSA-N 1 0 324.424 3.430 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)CCCOC3)c(OC)c1 ZINC001138385911 1091161270 /nfs/dbraw/zinc/16/12/70/1091161270.db2.gz DARARWBGVGTUMH-UHFFFAOYSA-N 1 0 318.461 3.154 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(OC)c1 ZINC001138386894 1091163479 /nfs/dbraw/zinc/16/34/79/1091163479.db2.gz ZIXVFHGCGNJRPR-BHYGNILZSA-N 1 0 306.425 3.331 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC(COC)CC2)c(OC)c1 ZINC001138387723 1091164041 /nfs/dbraw/zinc/16/40/41/1091164041.db2.gz JGIMJTPKAHPVQN-UHFFFAOYSA-N 1 0 320.477 3.400 20 10 DGCDRO CCN(CCC[NH+](C)C)Cc1ccc(N(CC)CC)cc1OC ZINC001138392471 1091165517 /nfs/dbraw/zinc/16/55/17/1091165517.db2.gz WYALNUWOZKGXHD-UHFFFAOYSA-N 1 0 321.509 3.315 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2OC)cc1C ZINC001205298571 1091170779 /nfs/dbraw/zinc/17/07/79/1091170779.db2.gz GLTQKQOBTMZWFL-KBAYOESNSA-N 1 0 307.434 3.066 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001138496956 1091206239 /nfs/dbraw/zinc/20/62/39/1091206239.db2.gz VSOACCHKBYSXFA-MSOLQXFVSA-N 1 0 300.446 3.145 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@@H]1C[NH3+] ZINC001205651102 1091296689 /nfs/dbraw/zinc/29/66/89/1091296689.db2.gz ADZNJMGUEAYPAO-NWDGAFQWSA-N 1 0 316.367 3.218 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@@H]1C[NH3+] ZINC001205651104 1091296969 /nfs/dbraw/zinc/29/69/69/1091296969.db2.gz ADZNJMGUEAYPAO-VXGBXAGGSA-N 1 0 316.367 3.218 20 10 DGCDRO COc1ccc(SCC[NH2+]Cc2cccc(OC)c2O)cc1 ZINC001205678797 1091308409 /nfs/dbraw/zinc/30/84/09/1091308409.db2.gz SRKXVNIOHNZWTR-UHFFFAOYSA-N 1 0 319.426 3.291 20 10 DGCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817849 1091363484 /nfs/dbraw/zinc/36/34/84/1091363484.db2.gz RPXRHJOUSMIICY-APWZRJJASA-N 1 0 301.478 3.236 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](C)CC[C@@H]3CN)c2c1 ZINC001205842024 1091376647 /nfs/dbraw/zinc/37/66/47/1091376647.db2.gz MCDSCPSZOVBWGZ-UKRRQHHQSA-N 1 0 314.429 3.113 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)C[C@@H]1CC1(C)C ZINC001139130665 1091459242 /nfs/dbraw/zinc/45/92/42/1091459242.db2.gz GXWHAFMFFBSPFF-LBPRGKRZSA-N 1 0 301.386 3.285 20 10 DGCDRO Cc1cc(O)c(CN2CCCC[C@@](F)(C[NH3+])C2)cc1Cl ZINC001206363661 1091600704 /nfs/dbraw/zinc/60/07/04/1091600704.db2.gz ZLEKFTLPFUAQSV-OAHLLOKOSA-N 1 0 300.805 3.007 20 10 DGCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001206444887 1091633650 /nfs/dbraw/zinc/63/36/50/1091633650.db2.gz LPCFOEIKTGHERD-SJORKVTESA-N 1 0 318.367 3.069 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@H](F)C[C@H]([NH3+])C2)cc1Cl ZINC001206456743 1091638509 /nfs/dbraw/zinc/63/85/09/1091638509.db2.gz PFCBBAQRGDYKKK-NEPJUHHUSA-N 1 0 314.832 3.214 20 10 DGCDRO Cc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)ccc1N(C)C ZINC001139674496 1091639719 /nfs/dbraw/zinc/63/97/19/1091639719.db2.gz SYQNAJLMVHDWBZ-HKUYNNGSSA-N 1 0 319.468 3.069 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673333 1091639862 /nfs/dbraw/zinc/63/98/62/1091639862.db2.gz FLFAJRIBIWGJTC-IBGZPJMESA-N 1 0 318.461 3.226 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CC2(OC)CCCC2)cc1 ZINC001206544044 1091664061 /nfs/dbraw/zinc/66/40/61/1091664061.db2.gz HYHBTEKWIVWBMD-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO C[C@@]1(C[NH3+])CCCCN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001206575861 1091675276 /nfs/dbraw/zinc/67/52/76/1091675276.db2.gz ZYEKFXFENNYDSN-HNNXBMFYSA-N 1 0 300.805 3.136 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCCO1)CCCO2 ZINC001202993739 1091739168 /nfs/dbraw/zinc/73/91/68/1091739168.db2.gz QAXCTXSZDAGFRF-MOPGFXCFSA-N 1 0 301.430 3.449 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)CCCO2 ZINC001202993740 1091739697 /nfs/dbraw/zinc/73/96/97/1091739697.db2.gz QAXCTXSZDAGFRF-OALUTQOASA-N 1 0 301.430 3.449 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1O ZINC001206788436 1091740099 /nfs/dbraw/zinc/74/00/99/1091740099.db2.gz JYCWKRLQZUWGHP-LJQANCHMSA-N 1 0 313.397 3.274 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1O ZINC001206788435 1091740928 /nfs/dbraw/zinc/74/09/28/1091740928.db2.gz JYCWKRLQZUWGHP-IBGZPJMESA-N 1 0 313.397 3.274 20 10 DGCDRO CCOC(=O)C1(C(C)C)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060080 1091753724 /nfs/dbraw/zinc/75/37/24/1091753724.db2.gz KBUMYDDKNXCMGW-UHFFFAOYSA-N 1 0 323.408 3.333 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCN(Cc3ccccc3)CC2)c1O ZINC001140178966 1091792252 /nfs/dbraw/zinc/79/22/52/1091792252.db2.gz ACAGRWHUPCEPKH-UHFFFAOYSA-N 1 0 310.441 3.327 20 10 DGCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1O ZINC001140178182 1091792461 /nfs/dbraw/zinc/79/24/61/1091792461.db2.gz BVCOLTUUIKAPJE-ROUUACIJSA-N 1 0 307.393 3.421 20 10 DGCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140183750 1091793385 /nfs/dbraw/zinc/79/33/85/1091793385.db2.gz IMUMDNSKPZCOSH-ZOBUZTSGSA-N 1 0 317.429 3.173 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1O ZINC001140181453 1091794034 /nfs/dbraw/zinc/79/40/34/1091794034.db2.gz BTHRPFYPRONGJJ-UHFFFAOYSA-N 1 0 315.335 3.352 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140183808 1091794689 /nfs/dbraw/zinc/79/46/89/1091794689.db2.gz JACTVRSUIWKFSM-OAHLLOKOSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c1O ZINC001140184968 1091795463 /nfs/dbraw/zinc/79/54/63/1091795463.db2.gz MPDZIFMLHLOZFJ-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]4CCC[C@H]4C3)cc2)CC1 ZINC001140282499 1091815481 /nfs/dbraw/zinc/81/54/81/1091815481.db2.gz BICJIPPNTDDQFJ-MSOLQXFVSA-N 1 0 314.473 3.270 20 10 DGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001140338162 1091833231 /nfs/dbraw/zinc/83/32/31/1091833231.db2.gz XUGJFUVDGKWGAF-UHFFFAOYSA-N 1 0 318.804 3.484 20 10 DGCDRO CCC(=O)N(CC)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140342702 1091835357 /nfs/dbraw/zinc/83/53/57/1091835357.db2.gz VFEZECYTONRMRE-UHFFFAOYSA-N 1 0 324.852 3.269 20 10 DGCDRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1O ZINC001140461221 1091874205 /nfs/dbraw/zinc/87/42/05/1091874205.db2.gz HITTVXKFZZDKTG-UHFFFAOYSA-N 1 0 314.813 3.002 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001140465224 1091876747 /nfs/dbraw/zinc/87/67/47/1091876747.db2.gz IUVJVZDPUKHQOU-ZDUSSCGKSA-N 1 0 303.736 3.046 20 10 DGCDRO Cc1ccnc(N2CCN(Cc3ccc(Cl)cc3O)CC2)c1 ZINC001140466642 1091878038 /nfs/dbraw/zinc/87/80/38/1091878038.db2.gz JAXUSMRSTZUUMZ-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO CC[N@H+](Cc1ccc(C(=O)OC)s1)Cc1ccccc1O ZINC001140524189 1091895829 /nfs/dbraw/zinc/89/58/29/1091895829.db2.gz VTHDCVCXYTYRMN-UHFFFAOYSA-N 1 0 305.399 3.262 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3)CC2)cc1 ZINC001140574448 1091914061 /nfs/dbraw/zinc/91/40/61/1091914061.db2.gz FACFPUHAFCJZBL-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1 ZINC001140617270 1091933083 /nfs/dbraw/zinc/93/30/83/1091933083.db2.gz JWIVWOONBZYSRA-SWLSCSKDSA-N 1 0 317.351 3.226 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)c1 ZINC001140622903 1091934849 /nfs/dbraw/zinc/93/48/49/1091934849.db2.gz DWIRZJPIZLBOAO-UHFFFAOYSA-N 1 0 322.449 3.437 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3ccccc3F)CC2)c1 ZINC001140621336 1091935471 /nfs/dbraw/zinc/93/54/71/1091935471.db2.gz XJRDIOXMNKIOLW-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660514 1091949604 /nfs/dbraw/zinc/94/96/04/1091949604.db2.gz UOCAGTLSSNFLMU-HNNXBMFYSA-N 1 0 306.425 3.284 20 10 DGCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCC(=O)CC3)CC2)c1O ZINC001140748209 1091985997 /nfs/dbraw/zinc/98/59/97/1091985997.db2.gz UROWPZMZEVIFFY-UHFFFAOYSA-N 1 0 303.402 3.132 20 10 DGCDRO CCN(CC[NH+](CC)CC)Cc1ccc(N(CC)CC)cc1O ZINC001140855416 1092031000 /nfs/dbraw/zinc/03/10/00/1092031000.db2.gz YEGVFGGJEXGTOA-UHFFFAOYSA-N 1 0 321.509 3.402 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c(O)c1 ZINC001140855758 1092031400 /nfs/dbraw/zinc/03/14/00/1092031400.db2.gz JOMLLGAVEIFZKF-QGZVFWFLSA-N 1 0 306.450 3.238 20 10 DGCDRO CCOC1CC[NH+](Cc2ccc(N(CC)CC)cc2O)CC1 ZINC001140855379 1092031525 /nfs/dbraw/zinc/03/15/25/1092031525.db2.gz WXCOJANEXZVUPR-UHFFFAOYSA-N 1 0 306.450 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC(c3cccnc3)C2)c(O)c1 ZINC001140856144 1092031643 /nfs/dbraw/zinc/03/16/43/1092031643.db2.gz RGNPPPULBYSYNU-UHFFFAOYSA-N 1 0 311.429 3.233 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c(O)c1 ZINC001140856761 1092032823 /nfs/dbraw/zinc/03/28/23/1092032823.db2.gz MNMYEHGALBJWMB-WMLDXEAASA-N 1 0 306.450 3.238 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c(Cl)c1 ZINC001140921472 1092062700 /nfs/dbraw/zinc/06/27/00/1092062700.db2.gz DYWJQMIDBXPOJK-MRXNPFEDSA-N 1 0 314.832 3.093 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H]3CCO)CC2)c(Cl)c1 ZINC001140922563 1092064581 /nfs/dbraw/zinc/06/45/81/1092064581.db2.gz UOLJEWRIUQTOIZ-OAHLLOKOSA-N 1 0 322.880 3.391 20 10 DGCDRO COC(=O)CN(Cc1ccc(N(C)C)cc1Cl)C1CCCC1 ZINC001140925603 1092064627 /nfs/dbraw/zinc/06/46/27/1092064627.db2.gz SKDMFZHIPQRKHM-UHFFFAOYSA-N 1 0 324.852 3.324 20 10 DGCDRO CN(C)c1ccc(CN2CCc3ncccc3C2)c(Cl)c1 ZINC001140924643 1092065253 /nfs/dbraw/zinc/06/52/53/1092065253.db2.gz KDIHVVBOGMICDC-UHFFFAOYSA-N 1 0 301.821 3.359 20 10 DGCDRO CN(C)c1ccc(CN(CCO)Cc2cccs2)c(Cl)c1 ZINC001140924818 1092065410 /nfs/dbraw/zinc/06/54/10/1092065410.db2.gz STFVEQMSFSMHDI-UHFFFAOYSA-N 1 0 324.877 3.462 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c(Cl)c1 ZINC001140926192 1092066541 /nfs/dbraw/zinc/06/65/41/1092066541.db2.gz HZMVKXWQNHHPKB-KRWDZBQOSA-N 1 0 322.836 3.078 20 10 DGCDRO OC[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1cc(F)ccc1F ZINC001207793850 1092102727 /nfs/dbraw/zinc/10/27/27/1092102727.db2.gz WHYFVHNWWTZEOM-CQSZACIVSA-N 1 0 313.731 3.147 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccccc2C)c(OC)c1 ZINC001141027302 1092110761 /nfs/dbraw/zinc/11/07/61/1092110761.db2.gz UHZWKSYRBHUUTE-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2cccs2)c(OC)c1 ZINC001141028440 1092110956 /nfs/dbraw/zinc/11/09/56/1092110956.db2.gz OMSSGJCFSMHPDI-UHFFFAOYSA-N 1 0 307.415 3.145 20 10 DGCDRO C[C@@]1(O)CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074213 1092128482 /nfs/dbraw/zinc/12/84/82/1092128482.db2.gz BHDJDRHOOYVWEZ-HXUWFJFHSA-N 1 0 314.473 3.122 20 10 DGCDRO CO[C@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141076240 1092129451 /nfs/dbraw/zinc/12/94/51/1092129451.db2.gz NXOFZDSUVMIUOT-IBGZPJMESA-N 1 0 314.473 3.386 20 10 DGCDRO COC1(C)CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074543 1092129923 /nfs/dbraw/zinc/12/99/23/1092129923.db2.gz LNAGYULYPWZKMJ-UHFFFAOYSA-N 1 0 314.473 3.386 20 10 DGCDRO Cc1cccc2c1CC[N@@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141140324 1092147894 /nfs/dbraw/zinc/14/78/94/1092147894.db2.gz KOEBRLPHICNHRV-UHFFFAOYSA-N 1 0 308.425 3.382 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)ccc21 ZINC001141142853 1092148497 /nfs/dbraw/zinc/14/84/97/1092148497.db2.gz CXABXRBONLIPFU-CYBMUJFWSA-N 1 0 314.351 3.290 20 10 DGCDRO CN1CCOc2cc(C[NH+]3CCc4ccccc4CC3)ccc21 ZINC001141142949 1092148579 /nfs/dbraw/zinc/14/85/79/1092148579.db2.gz HWFQJUYSCCWRGQ-UHFFFAOYSA-N 1 0 308.425 3.116 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](F)C(F)(F)CC3)ccc21 ZINC001141141108 1092149093 /nfs/dbraw/zinc/14/90/93/1092149093.db2.gz UDUZZDAJQOTABM-HNNXBMFYSA-N 1 0 314.351 3.084 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H](c4ccccn4)C3)ccc21 ZINC001141143537 1092150161 /nfs/dbraw/zinc/15/01/61/1092150161.db2.gz CWFGYEUZGZVSDR-QGZVFWFLSA-N 1 0 323.440 3.290 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H](c4ccccn4)C3)ccc21 ZINC001141143536 1092150506 /nfs/dbraw/zinc/15/05/06/1092150506.db2.gz CWFGYEUZGZVSDR-KRWDZBQOSA-N 1 0 323.440 3.290 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccccc1O ZINC001141155200 1092153756 /nfs/dbraw/zinc/15/37/56/1092153756.db2.gz GITWQTJCZKNGAD-UHFFFAOYSA-N 1 0 307.296 3.346 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1cnc(Cl)cc1OC ZINC001141344842 1092214700 /nfs/dbraw/zinc/21/47/00/1092214700.db2.gz PYTLZYGIEBWVTK-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO CCN(CC[N@H+](C)Cc1ccccc1O)C(=O)OC(C)(C)C ZINC001208578621 1092403875 /nfs/dbraw/zinc/40/38/75/1092403875.db2.gz FZBIHACOBAXEDU-UHFFFAOYSA-N 1 0 308.422 3.081 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001142521020 1092494594 /nfs/dbraw/zinc/49/45/94/1092494594.db2.gz UPUIEHFLNVVRDT-CQSZACIVSA-N 1 0 310.388 3.121 20 10 DGCDRO CCOC(=O)C1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143105159 1092615433 /nfs/dbraw/zinc/61/54/33/1092615433.db2.gz LKRABZDREHBQNP-UHFFFAOYSA-N 1 0 319.445 3.465 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@H]1C ZINC001143110946 1092616757 /nfs/dbraw/zinc/61/67/57/1092616757.db2.gz UAOGBJRDTBTLRS-ZFWWWQNUSA-N 1 0 319.445 3.463 20 10 DGCDRO Cc1noc([C@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3O)C2)n1 ZINC001143111323 1092616908 /nfs/dbraw/zinc/61/69/08/1092616908.db2.gz BDYVMPFSRYNSAB-AWEZNQCLSA-N 1 0 315.417 3.371 20 10 DGCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116647 1092618886 /nfs/dbraw/zinc/61/88/86/1092618886.db2.gz HIZFQUUMYQHIOX-GOSISDBHSA-N 1 0 305.418 3.075 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001209518849 1092805144 /nfs/dbraw/zinc/80/51/44/1092805144.db2.gz USUVRGMWFDFSAP-FQEVSTJZSA-N 1 0 309.457 3.374 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC001209763095 1092909703 /nfs/dbraw/zinc/90/97/03/1092909703.db2.gz OZFSLANOSHZTTK-UHFFFAOYSA-N 1 0 305.381 3.341 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210267691 1093102766 /nfs/dbraw/zinc/10/27/66/1093102766.db2.gz SVBSIOYQUNIGLL-INIZCTEOSA-N 1 0 320.795 3.331 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[NH2+]C[C@@H](F)C2)cc1Cl ZINC001210610303 1093225688 /nfs/dbraw/zinc/22/56/88/1093225688.db2.gz MKLJOTHIVVKIBR-GFCCVEGCSA-N 1 0 314.832 3.086 20 10 DGCDRO COc1c[nH+]ccc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001211263971 1093436234 /nfs/dbraw/zinc/43/62/34/1093436234.db2.gz QAJHVADMWMQCQX-UHFFFAOYSA-N 1 0 305.381 3.429 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)c(O)c1OC ZINC001120033976 1094356749 /nfs/dbraw/zinc/35/67/49/1094356749.db2.gz XAWMTDOBUHJLEK-AWEZNQCLSA-N 1 0 313.397 3.229 20 10 DGCDRO C[C@H]1CC[C@@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C[NH2+]1 ZINC001217701122 1094475775 /nfs/dbraw/zinc/47/57/75/1094475775.db2.gz BKMKLLLLMMRXHP-DZGCQCFKSA-N 1 0 308.385 3.383 20 10 DGCDRO C[Si]1(C)C[NH2+][C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001217755241 1094490692 /nfs/dbraw/zinc/49/06/92/1094490692.db2.gz FYJSPLOGASJEBW-HNNXBMFYSA-N 1 0 324.460 3.419 20 10 DGCDRO O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C=C1OC1C[NH2+]C1 ZINC001218049397 1094576615 /nfs/dbraw/zinc/57/66/15/1094576615.db2.gz HKSDFHFWGZYORT-ISLYRVAYSA-N 1 0 314.301 3.066 20 10 DGCDRO Cc1ccc(O[C@@H]2CN3C[C@H]2[NH2+]CC3)c(/N=N/c2ccccc2)c1 ZINC001218111137 1094608333 /nfs/dbraw/zinc/60/83/33/1094608333.db2.gz UBONZPAZMNKAEZ-AEZKDZDTSA-N 1 0 322.412 3.445 20 10 DGCDRO c1ccc2c(c1)CC[C@H](Oc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001218319313 1094714234 /nfs/dbraw/zinc/71/42/34/1094714234.db2.gz IIIBEJYRRZWTST-FQEVSTJZSA-N 1 0 308.425 3.033 20 10 DGCDRO C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(OC)c(Cl)c3[O-])(C1)CCC2 ZINC001276806198 1094993030 /nfs/dbraw/zinc/99/30/30/1094993030.db2.gz LCKHMZOWJZSTAQ-DLBZAZTESA-N 1 0 324.852 3.209 20 10 DGCDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001139674349 1095040922 /nfs/dbraw/zinc/04/09/22/1095040922.db2.gz VMXUSYULJBEPQR-GUYCJALGSA-N 1 0 306.450 3.081 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(N(C)C)cc2)c1 ZINC001337784998 1095094266 /nfs/dbraw/zinc/09/42/66/1095094266.db2.gz IEPJIOACYGJJJR-AWEZNQCLSA-N 1 0 314.429 3.360 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC001337784973 1095094733 /nfs/dbraw/zinc/09/47/33/1095094733.db2.gz HKYTZVHPJUTFHF-FVQBIDKESA-N 1 0 300.446 3.323 20 10 DGCDRO Cc1cnc(C[N@@H+](C)Cc2ccccc2O)cc1Br ZINC001143662528 1095337740 /nfs/dbraw/zinc/33/77/40/1095337740.db2.gz RBOMTLVBNLTJMS-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154418 1095461619 /nfs/dbraw/zinc/46/16/19/1095461619.db2.gz LGDHGEYSGUPMTD-OAHLLOKOSA-N 1 0 315.244 3.275 20 10 DGCDRO [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161076 1095467028 /nfs/dbraw/zinc/46/70/28/1095467028.db2.gz KOVZVFPTGKMDDM-GOSISDBHSA-N 1 0 306.425 3.277 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222252615 1095512755 /nfs/dbraw/zinc/51/27/55/1095512755.db2.gz HRBLHERMBJEKDZ-HNNXBMFYSA-N 1 0 314.351 3.129 20 10 DGCDRO CN(C)c1ccc(CN2CC3(C2)CCC[NH2+]C3)c2ccccc21 ZINC001222335303 1095556371 /nfs/dbraw/zinc/55/63/71/1095556371.db2.gz FDXWFMZULOWYHU-UHFFFAOYSA-N 1 0 309.457 3.091 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC001116568789 1095603193 /nfs/dbraw/zinc/60/31/93/1095603193.db2.gz USUJSJIZOSTUGG-RYUDHWBXSA-N 1 0 309.406 3.172 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCN1CCCCC1=O ZINC001116585288 1095608394 /nfs/dbraw/zinc/60/83/94/1095608394.db2.gz WLZRCMFHLVFCRD-GJZGRUSLSA-N 1 0 316.445 3.241 20 10 DGCDRO Cc1cc(C[N@@H+](C)CCc2noc(C(C)C)n2)ccc1N(C)C ZINC001139669823 1095613385 /nfs/dbraw/zinc/61/33/85/1095613385.db2.gz PNPZJMGACYQYAR-UHFFFAOYSA-N 1 0 316.449 3.242 20 10 DGCDRO CC(C)(C)c1ccc(CN2CC[C@]3(C2)CCCC[NH2+]3)c(O)c1 ZINC001222436781 1095613936 /nfs/dbraw/zinc/61/39/36/1095613936.db2.gz ZZZJOTPMIWFOET-IBGZPJMESA-N 1 0 302.462 3.408 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222436780 1095614879 /nfs/dbraw/zinc/61/48/79/1095614879.db2.gz ZZQKFXXLXWDDTJ-OAHLLOKOSA-N 1 0 314.351 3.129 20 10 DGCDRO Cc1cc(C[N@@H+]2CCc3cc(CO)ccc3C2)ccc1N(C)C ZINC001139670038 1095615200 /nfs/dbraw/zinc/61/52/00/1095615200.db2.gz WQFPIYPORRYUGC-UHFFFAOYSA-N 1 0 310.441 3.112 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC001222476904 1095634404 /nfs/dbraw/zinc/63/44/04/1095634404.db2.gz DEBFQQWMACOGBL-CQSZACIVSA-N 1 0 301.217 3.027 20 10 DGCDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116863812 1095684364 /nfs/dbraw/zinc/68/43/64/1095684364.db2.gz OTHRJWWMQQARQM-IBGZPJMESA-N 1 0 315.505 3.497 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC001339657805 1095689944 /nfs/dbraw/zinc/68/99/44/1095689944.db2.gz HLZQEYUJCOBHES-RVZJWNSFSA-N 1 0 310.397 3.065 20 10 DGCDRO C[N@H+](Cc1nc2ccccc2s1)Cc1c(O)cc(O)cc1O ZINC001144504299 1095690728 /nfs/dbraw/zinc/69/07/28/1095690728.db2.gz ONLCJQCZYOWUTF-UHFFFAOYSA-N 1 0 316.382 3.045 20 10 DGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)cc1 ZINC001144509348 1095698022 /nfs/dbraw/zinc/69/80/22/1095698022.db2.gz UFIVOZCKXBKHGK-MRXNPFEDSA-N 1 0 315.369 3.149 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ncccc1N(C)C ZINC001117633507 1095788498 /nfs/dbraw/zinc/78/84/98/1095788498.db2.gz RZXKSKVKHVRSDY-KBPBESRZSA-N 1 0 311.429 3.500 20 10 DGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001117721523 1095815881 /nfs/dbraw/zinc/81/58/81/1095815881.db2.gz SBQNRJGJHKYMTP-SECBINFHSA-N 1 0 317.788 3.395 20 10 DGCDRO CCOC(=O)C1(C(C)C)CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138129803 1095899954 /nfs/dbraw/zinc/89/99/54/1095899954.db2.gz WXFNGHCIQAUXLF-UHFFFAOYSA-N 1 0 323.408 3.333 20 10 DGCDRO CC(C)c1nc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC001118019623 1095923068 /nfs/dbraw/zinc/92/30/68/1095923068.db2.gz QENWPBVABQWGJZ-MRXNPFEDSA-N 1 0 318.490 3.122 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001118287438 1095975620 /nfs/dbraw/zinc/97/56/20/1095975620.db2.gz ZLMAPVQOIUNTHB-ZWKOTPCHSA-N 1 0 317.477 3.009 20 10 DGCDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118479756 1096018702 /nfs/dbraw/zinc/01/87/02/1096018702.db2.gz UMNAIYKWZXEBBU-UHFFFAOYSA-N 1 0 310.445 3.188 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C3CC4(CC4(F)F)C3)CC2)cc1 ZINC001118483956 1096021615 /nfs/dbraw/zinc/02/16/15/1096021615.db2.gz GROISLXRNLWUQC-UHFFFAOYSA-N 1 0 322.399 3.441 20 10 DGCDRO COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001118808634 1096083023 /nfs/dbraw/zinc/08/30/23/1096083023.db2.gz UMCVOWNKJSXZIQ-FPMFFAJLSA-N 1 0 301.386 3.100 20 10 DGCDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Br)[C@@H]1CCCO1 ZINC001118858643 1096092781 /nfs/dbraw/zinc/09/27/81/1096092781.db2.gz PDYCJPNZVARDMK-OCCSQVGLSA-N 1 0 314.223 3.202 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCc2ccc(N(C)C)cc2)c1O ZINC001119509287 1096216433 /nfs/dbraw/zinc/21/64/33/1096216433.db2.gz CWQFKYGCXORUCV-UHFFFAOYSA-N 1 0 314.429 3.108 20 10 DGCDRO CCOC(=O)C1(C)CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001171939070 1097012850 /nfs/dbraw/zinc/01/28/50/1097012850.db2.gz JOMOYJVELVMXKT-UHFFFAOYSA-N 1 0 317.429 3.223 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H](C)CCOC(C)C)CC2)cc1 ZINC001172440395 1097154873 /nfs/dbraw/zinc/15/48/73/1097154873.db2.gz MBTRVBQFVPFYDQ-MRXNPFEDSA-N 1 0 306.450 3.021 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H](C)CCOC(C)C)CC2)cc1 ZINC001172455515 1097160360 /nfs/dbraw/zinc/16/03/60/1097160360.db2.gz UYGGPVSLZIOWIY-QGZVFWFLSA-N 1 0 320.477 3.411 20 10 DGCDRO Oc1ccc([C@H](O)C[NH2+]C2CCC3(CCCC3)CC2)cc1O ZINC001172723021 1097217471 /nfs/dbraw/zinc/21/74/71/1097217471.db2.gz MDOSJTLSXJVKGW-QGZVFWFLSA-N 1 0 305.418 3.224 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2ncsc2C1)c1ccc(N(C)C)cc1 ZINC001173139602 1097343079 /nfs/dbraw/zinc/34/30/79/1097343079.db2.gz HOXIIEDQLGPYFH-GXTWGEPZSA-N 1 0 301.459 3.417 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCc3ncsc3C2)cc1 ZINC001173140506 1097343269 /nfs/dbraw/zinc/34/32/69/1097343269.db2.gz HPPPAKOMAUXFDW-HNNXBMFYSA-N 1 0 301.459 3.198 20 10 DGCDRO CC[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC001173285491 1097414361 /nfs/dbraw/zinc/41/43/61/1097414361.db2.gz WPOGJEXLGLFOHV-HZPDHXFCSA-N 1 0 318.461 3.405 20 10 DGCDRO CCN1CC[C@@H]([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)C1 ZINC001173355949 1097431267 /nfs/dbraw/zinc/43/12/67/1097431267.db2.gz COZITNMHZZZLPI-RDTXWAMCSA-N 1 0 302.462 3.316 20 10 DGCDRO Fc1cc2c(cc1F)CC([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001173471191 1097454333 /nfs/dbraw/zinc/45/43/33/1097454333.db2.gz DSAFDFRWLVBPOY-UHFFFAOYSA-N 1 0 301.336 3.157 20 10 DGCDRO COc1ccc(Br)c(C[NH+]2CC3CC(C3)C2)c1O ZINC001231556434 1097779151 /nfs/dbraw/zinc/77/91/51/1097779151.db2.gz HUTAASFFDNXBQS-UHFFFAOYSA-N 1 0 312.207 3.005 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)[C@@H]1C ZINC001231590348 1097785428 /nfs/dbraw/zinc/78/54/28/1097785428.db2.gz VLNVKRNQAUGCRS-HIFRSBDPSA-N 1 0 313.397 3.319 20 10 DGCDRO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)ccc2ccccc21 ZINC001231587243 1097785739 /nfs/dbraw/zinc/78/57/39/1097785739.db2.gz RQFQIKUBYHKFOZ-IFXJQAMLSA-N 1 0 311.381 3.073 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c1O ZINC001231591228 1097786622 /nfs/dbraw/zinc/78/66/22/1097786622.db2.gz WSAOSCSPGZIFOG-UHFFFAOYSA-N 1 0 311.425 3.270 20 10 DGCDRO Cc1cnc2n1CCC21CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231593204 1097787176 /nfs/dbraw/zinc/78/71/76/1097787176.db2.gz SNFFPDVTKLYZBG-UHFFFAOYSA-N 1 0 311.429 3.143 20 10 DGCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cccc(C)c2O)C1 ZINC001231590856 1097787397 /nfs/dbraw/zinc/78/73/97/1097787397.db2.gz ISOTZNHRKDNHFK-GOSISDBHSA-N 1 0 305.418 3.256 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c(O)c1 ZINC001231841650 1097860366 /nfs/dbraw/zinc/86/03/66/1097860366.db2.gz CRNWWTAXTOXIEB-IUODEOHRSA-N 1 0 317.351 3.144 20 10 DGCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231842152 1097860743 /nfs/dbraw/zinc/86/07/43/1097860743.db2.gz KGUYLMJLNVXVOJ-HNNXBMFYSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCC(Oc3ccccn3)CC2)c(O)c1 ZINC001231843852 1097862108 /nfs/dbraw/zinc/86/21/08/1097862108.db2.gz BZKBOSXKUBGVBD-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1cc(C)c(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c(O)c1 ZINC001231844069 1097862118 /nfs/dbraw/zinc/86/21/18/1097862118.db2.gz GJASDXCEJDLKTH-IBGZPJMESA-N 1 0 310.441 3.498 20 10 DGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(C)cc2O)[C@@H]1C ZINC001231846221 1097862292 /nfs/dbraw/zinc/86/22/92/1097862292.db2.gz IENHVNUSICLISP-CABCVRRESA-N 1 0 305.418 3.173 20 10 DGCDRO Cc1cc(C)c(CN2CC[NH+](CC3CCCC3)CC2)c(O)c1 ZINC001231846046 1097862779 /nfs/dbraw/zinc/86/27/79/1097862779.db2.gz ZKQUPYJKMRULEO-UHFFFAOYSA-N 1 0 302.462 3.317 20 10 DGCDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(C)cc(C)cc3O)C2)nc1 ZINC001231850126 1097864084 /nfs/dbraw/zinc/86/40/84/1097864084.db2.gz KLUAEOGVJMNOES-MRXNPFEDSA-N 1 0 312.413 3.366 20 10 DGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1c(C)cc(C)cc1O ZINC001231849685 1097864164 /nfs/dbraw/zinc/86/41/64/1097864164.db2.gz UQMUUKYDSZJTAK-UHFFFAOYSA-N 1 0 322.449 3.356 20 10 DGCDRO COc1cc(N(C)C)ccc1CN1CCc2cc(F)ccc2C1 ZINC001231854386 1097864566 /nfs/dbraw/zinc/86/45/66/1097864566.db2.gz GMHYXQDSFIONBE-UHFFFAOYSA-N 1 0 314.404 3.459 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@H+](CCCCCO)C(C)C ZINC001231858074 1097866374 /nfs/dbraw/zinc/86/63/74/1097866374.db2.gz RASWKBTVYNBQLI-UHFFFAOYSA-N 1 0 308.466 3.134 20 10 DGCDRO Oc1c(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)ccc2ccccc21 ZINC001231881026 1097877592 /nfs/dbraw/zinc/87/75/92/1097877592.db2.gz QLGTYLOWXTXERN-HNNXBMFYSA-N 1 0 318.367 3.071 20 10 DGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]21 ZINC001232199050 1097963546 /nfs/dbraw/zinc/96/35/46/1097963546.db2.gz AOXNDNZKQBMLTI-GASCZTMLSA-N 1 0 320.864 3.264 20 10 DGCDRO COc1ccccc1C[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232261146 1097984571 /nfs/dbraw/zinc/98/45/71/1097984571.db2.gz DGMOZFWPTIUYAZ-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232262825 1097984794 /nfs/dbraw/zinc/98/47/94/1097984794.db2.gz RQHGYGCVSRRCIL-UHFFFAOYSA-N 1 0 305.761 3.015 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1Cl ZINC001232261650 1097985335 /nfs/dbraw/zinc/98/53/35/1097985335.db2.gz LJAHHLLXZFMAFA-AWEZNQCLSA-N 1 0 304.777 3.483 20 10 DGCDRO C[N@H+](CCOc1ccccc1)Cc1cc(Cl)c(O)cc1O ZINC001232261928 1097985491 /nfs/dbraw/zinc/98/54/91/1097985491.db2.gz UTILQKZYXWZBMR-UHFFFAOYSA-N 1 0 307.777 3.262 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1Cl ZINC001232267058 1097985973 /nfs/dbraw/zinc/98/59/73/1097985973.db2.gz IPMKCHWRLAXUNB-GFCCVEGCSA-N 1 0 304.777 3.136 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1Cl ZINC001232269240 1097988231 /nfs/dbraw/zinc/98/82/31/1097988231.db2.gz YQLONDRLAUKHOQ-LLVKDONJSA-N 1 0 304.777 3.136 20 10 DGCDRO CCOCC1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232269521 1097988769 /nfs/dbraw/zinc/98/87/69/1097988769.db2.gz CVPGEHRAXIBUFZ-UHFFFAOYSA-N 1 0 313.825 3.303 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1c[nH]c3cc(Cl)ncc13)CC2 ZINC001232824018 1098145785 /nfs/dbraw/zinc/14/57/85/1098145785.db2.gz 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CCCCCC[NH+]1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233334565 1098291588 /nfs/dbraw/zinc/29/15/88/1098291588.db2.gz LXTHOMITXIKVSI-UHFFFAOYSA-N 1 0 312.404 3.368 20 10 DGCDRO Oc1c(CN2CC[N@@H+]3CCCC[C@@H]3C2)cccc1C(F)(F)F ZINC001233417890 1098323386 /nfs/dbraw/zinc/32/33/86/1098323386.db2.gz MBQJDURHMPBDPD-CYBMUJFWSA-N 1 0 314.351 3.081 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001233451913 1098337112 /nfs/dbraw/zinc/33/71/12/1098337112.db2.gz DHEHGKFXJYHDFW-ABAIWWIYSA-N 1 0 315.335 3.412 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001233451810 1098338495 /nfs/dbraw/zinc/33/84/95/1098338495.db2.gz AASSMWYKPCILHK-AWEZNQCLSA-N 1 0 301.308 3.023 20 10 DGCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455112 1098339661 /nfs/dbraw/zinc/33/96/61/1098339661.db2.gz WYEQRUZMGFHKOC-CYBMUJFWSA-N 1 0 303.324 3.146 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCc2ccncc2C1 ZINC001233454330 1098339723 /nfs/dbraw/zinc/33/97/23/1098339723.db2.gz QEUYZVCQDHFEBO-UHFFFAOYSA-N 1 0 308.303 3.364 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001233455335 1098340460 /nfs/dbraw/zinc/34/04/60/1098340460.db2.gz GFZQZTKKQAPOKU-ZDUSSCGKSA-N 1 0 301.308 3.022 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001233454022 1098341118 /nfs/dbraw/zinc/34/11/18/1098341118.db2.gz CVPHFAWVDPZDNX-CQSZACIVSA-N 1 0 314.351 3.081 20 10 DGCDRO CC(C)C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452851 1098341196 /nfs/dbraw/zinc/34/11/96/1098341196.db2.gz MQTPOYQKANBBON-UHFFFAOYSA-N 1 0 316.367 3.185 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)cc1O ZINC001233485771 1098347079 /nfs/dbraw/zinc/34/70/79/1098347079.db2.gz KHTSXXOICRVVRQ-LLVKDONJSA-N 1 0 319.788 3.446 20 10 DGCDRO C[N@H+](Cc1cn2c(cccc2Cl)n1)Cc1ccccc1O ZINC001233599336 1098385583 /nfs/dbraw/zinc/38/55/83/1098385583.db2.gz IAFBGXVXAHYBPH-UHFFFAOYSA-N 1 0 301.777 3.325 20 10 DGCDRO C[N@H+](Cc1cccc(OC(F)(F)F)c1O)[C@H]1CC[C@H](O)CC1 ZINC001233736132 1098419313 /nfs/dbraw/zinc/41/93/13/1098419313.db2.gz CUCBMBCKMQPGTB-HAQNSBGRSA-N 1 0 319.323 3.026 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](c2ccsc2)N(C)C)cc1F ZINC001177175224 1098491962 /nfs/dbraw/zinc/49/19/62/1098491962.db2.gz DPNHZAPZVWPQIO-QGZVFWFLSA-N 1 0 321.465 3.346 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+]3CCC(=O)[C@@H](F)CC3)c2c1 ZINC001234525394 1098580978 /nfs/dbraw/zinc/58/09/78/1098580978.db2.gz FMBIDWZODWPCIV-INIZCTEOSA-N 1 0 317.360 3.057 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCC(=O)[C@@H](C)C3)c2c1 ZINC001234525129 1098581551 /nfs/dbraw/zinc/58/15/51/1098581551.db2.gz BEGSTYLRCZCRSI-ZDUSSCGKSA-N 1 0 313.397 3.355 20 10 DGCDRO COc1ccc2ccc(O)c(CN(C)CC[NH+]3CCCC3)c2c1 ZINC001234562836 1098602046 /nfs/dbraw/zinc/60/20/46/1098602046.db2.gz VNIQAZRXGFOFRL-UHFFFAOYSA-N 1 0 314.429 3.082 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)c3cccnc3)cc2)CC1 ZINC001234658124 1098634605 /nfs/dbraw/zinc/63/46/05/1098634605.db2.gz VAHUTBYVMQXXSY-INIZCTEOSA-N 1 0 311.429 3.364 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)COC(C)(C)C)cc2)CC1 ZINC001234657620 1098635163 /nfs/dbraw/zinc/63/51/63/1098635163.db2.gz FQRAMQPRZUFOPZ-INIZCTEOSA-N 1 0 320.477 3.411 20 10 DGCDRO CCOCc1cc(C[NH2+]CCNc2ccccc2)ccc1OC ZINC001177931514 1098659536 /nfs/dbraw/zinc/65/95/36/1098659536.db2.gz CCTWFRBFFUNPLN-UHFFFAOYSA-N 1 0 314.429 3.433 20 10 DGCDRO OC[C@H]1C[C@@H](F)C[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993257 1098738764 /nfs/dbraw/zinc/73/87/64/1098738764.db2.gz XSZKLZCARJDPFX-WMLDXEAASA-N 1 0 315.388 3.212 20 10 DGCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234996670 1098741372 /nfs/dbraw/zinc/74/13/72/1098741372.db2.gz LVTJKFJCWGEWRC-SFHVURJKSA-N 1 0 324.424 3.112 20 10 DGCDRO [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093835 1098795678 /nfs/dbraw/zinc/79/56/78/1098795678.db2.gz RGNDPUBMAXVFRN-UHFFFAOYSA-N 1 0 315.244 3.275 20 10 DGCDRO Cc1cc(CN2CCCC[C@@]23CCC[NH2+]C3)ccc1N(C)C ZINC001235167490 1098848514 /nfs/dbraw/zinc/84/85/14/1098848514.db2.gz JVNHCSGBNOLVBP-IBGZPJMESA-N 1 0 301.478 3.169 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc1Cl ZINC001235170227 1098852911 /nfs/dbraw/zinc/85/29/11/1098852911.db2.gz CUCVEVZMWRSLQU-YVEFUNNKSA-N 1 0 308.853 3.266 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235193974 1098870994 /nfs/dbraw/zinc/87/09/94/1098870994.db2.gz TZQCTYYVIGFZDW-RTBURBONSA-N 1 0 309.457 3.135 20 10 DGCDRO Oc1ccc(Cl)cc1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235218192 1098887297 /nfs/dbraw/zinc/88/72/97/1098887297.db2.gz KJOWMXNDWPRUMX-DLBZAZTESA-N 1 0 314.816 3.117 20 10 DGCDRO Nc1ccc(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001235382825 1098989557 /nfs/dbraw/zinc/98/95/57/1098989557.db2.gz ZMWAYWWIWZIXTG-CTNGQTDRSA-N 1 0 321.468 3.365 20 10 DGCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001206372297 1099039799 /nfs/dbraw/zinc/03/97/99/1099039799.db2.gz ZSZSITHNGQMGDV-AWEZNQCLSA-N 1 0 321.223 3.352 20 10 DGCDRO C[N@H+](Cc1ccc(C(C)(C)C)cc1O)[C@H]1CCC2(C1)OCCO2 ZINC001235679207 1099122902 /nfs/dbraw/zinc/12/29/02/1099122902.db2.gz DNFVHVZTGFPWEW-INIZCTEOSA-N 1 0 319.445 3.417 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235706695 1099137579 /nfs/dbraw/zinc/13/75/79/1099137579.db2.gz VTZIXWLFWBEXNI-UHFFFAOYSA-N 1 0 308.853 3.257 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCN(C)[C@H]2C)cc1 ZINC001179627400 1099157847 /nfs/dbraw/zinc/15/78/47/1099157847.db2.gz ZDZOETDFHMRDBX-LPHOPBHVSA-N 1 0 303.494 3.495 20 10 DGCDRO CCc1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2F)c(O)c1 ZINC001235752737 1099165194 /nfs/dbraw/zinc/16/51/94/1099165194.db2.gz KUOPRCBDIVXIMY-SFHVURJKSA-N 1 0 314.404 3.240 20 10 DGCDRO COc1ccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)cc1C ZINC001179677480 1099173936 /nfs/dbraw/zinc/17/39/36/1099173936.db2.gz RUULGDWBQURJGP-UHFFFAOYSA-N 1 0 320.433 3.151 20 10 DGCDRO Oc1c(CN2CC3(C2)CCCC[NH2+]3)cccc1-c1ccccc1 ZINC001235921603 1099258500 /nfs/dbraw/zinc/25/85/00/1099258500.db2.gz GTDVRBFBNRHRGT-UHFFFAOYSA-N 1 0 308.425 3.387 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1Cl ZINC001235988872 1099313245 /nfs/dbraw/zinc/31/32/45/1099313245.db2.gz ARVLLJYDYHUZSE-SJKOYZFVSA-N 1 0 308.853 3.266 20 10 DGCDRO CCN(Cc1c(O)ccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236008615 1099331750 /nfs/dbraw/zinc/33/17/50/1099331750.db2.gz GMJYJCZRJJRLFG-SNVBAGLBSA-N 1 0 303.233 3.273 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN(C2CC2)C2C[NH2+]C2)cc1Cl ZINC001236063415 1099363044 /nfs/dbraw/zinc/36/30/44/1099363044.db2.gz HQTXWUZLUBFQJB-UHFFFAOYSA-N 1 0 308.853 3.279 20 10 DGCDRO Cc1cc(F)cc(CN2CC[NH2+]C[C@H]2c2ccc(F)cc2)c1O ZINC001236129056 1099417560 /nfs/dbraw/zinc/41/75/60/1099417560.db2.gz NVFFRQYQSRKWSM-KRWDZBQOSA-N 1 0 318.367 3.125 20 10 DGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001236132463 1099420365 /nfs/dbraw/zinc/42/03/65/1099420365.db2.gz LIIFRQZXOPAARX-QGZVFWFLSA-N 1 0 311.473 3.480 20 10 DGCDRO CCN(CC[NH2+]C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236146327 1099431447 /nfs/dbraw/zinc/43/14/47/1099431447.db2.gz ZOKXMNHBORNFMF-UHFFFAOYSA-N 1 0 314.429 3.013 20 10 DGCDRO CCN(CC)c1ccc(CN(C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236238085 1099491908 /nfs/dbraw/zinc/49/19/08/1099491908.db2.gz YUZGXVIKFGOAGQ-IBGZPJMESA-N 1 0 301.478 3.249 20 10 DGCDRO [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322007 1099535199 /nfs/dbraw/zinc/53/51/99/1099535199.db2.gz ZZGXAHLKIWPHKK-PHIMTYICSA-N 1 0 315.244 3.130 20 10 DGCDRO CCCN(Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CC[NH2+]C1 ZINC001236324431 1099539565 /nfs/dbraw/zinc/53/95/65/1099539565.db2.gz PUFALJZNXKIQLT-HNNXBMFYSA-N 1 0 314.429 3.128 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCc3c(N)cccc3C2)c1O ZINC001236365486 1099554470 /nfs/dbraw/zinc/55/44/70/1099554470.db2.gz LWVRGKFPKXLBAE-UHFFFAOYSA-N 1 0 302.805 3.495 20 10 DGCDRO Oc1cc(F)c(F)cc1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653715 1099723843 /nfs/dbraw/zinc/72/38/43/1099723843.db2.gz MINNMYCRGGCXEK-AWEZNQCLSA-N 1 0 310.388 3.167 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(OC)c(OC)cc1O ZINC001236757801 1099772524 /nfs/dbraw/zinc/77/25/24/1099772524.db2.gz PKNTYZUKQBDPOF-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236769807 1099776414 /nfs/dbraw/zinc/77/64/14/1099776414.db2.gz YXUGTJVFDUNGKC-SNVBAGLBSA-N 1 0 314.223 3.482 20 10 DGCDRO C[C@@H]1COCCN1Cc1cc(OCc2ccccc2)ccc1O ZINC001236778724 1099780439 /nfs/dbraw/zinc/78/04/39/1099780439.db2.gz MIVNIBGCAYMQLH-OAHLLOKOSA-N 1 0 313.397 3.192 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(CC)cc2O)C[C@H]1C ZINC001236786870 1099782730 /nfs/dbraw/zinc/78/27/30/1099782730.db2.gz FAWRIPOIGATPCJ-ZBFHGGJFSA-N 1 0 319.445 3.366 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001236791077 1099786844 /nfs/dbraw/zinc/78/68/44/1099786844.db2.gz CVWANLORSXWPQP-HNNXBMFYSA-N 1 0 305.418 3.261 20 10 DGCDRO CCc1noc([C@H]2CCC[N@H+](Cc3ccc(CC)cc3O)C2)n1 ZINC001236792273 1099788624 /nfs/dbraw/zinc/78/86/24/1099788624.db2.gz 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C[C@@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCO[C@@H]1C1CC1 ZINC001254572782 1106106836 /nfs/dbraw/zinc/10/68/36/1106106836.db2.gz CNZWJWOWAJKIFO-RTBURBONSA-N 1 0 300.446 3.334 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)o1 ZINC001254721239 1106135580 /nfs/dbraw/zinc/13/55/80/1106135580.db2.gz NSSATHVQQVKPNZ-OSAQELSMSA-N 1 0 301.386 3.474 20 10 DGCDRO CC(C)(C)C1CCC([NH2+]CC(=O)c2ccc(O)c(O)c2)CC1 ZINC001255496978 1106259575 /nfs/dbraw/zinc/25/95/75/1106259575.db2.gz FYRVBYFDOZLTQQ-UHFFFAOYSA-N 1 0 305.418 3.475 20 10 DGCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1O ZINC001255690131 1106295394 /nfs/dbraw/zinc/29/53/94/1106295394.db2.gz RCTWMLYJBFMPRR-MNOVXSKESA-N 1 0 319.323 3.057 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](CC)Cc2ccc(N(C)C)cc2)C1 ZINC001257070201 1106533068 /nfs/dbraw/zinc/53/30/68/1106533068.db2.gz MRMRFAVNBHWQHL-SJLPKXTDSA-N 1 0 318.461 3.306 20 10 DGCDRO CCC(CC)[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001257303953 1106564472 /nfs/dbraw/zinc/56/44/72/1106564472.db2.gz VWQZHSGMDSUITA-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1CCC(C(=O)OC)CC1 ZINC001257868768 1106636978 /nfs/dbraw/zinc/63/69/78/1106636978.db2.gz PAVUNXNRLIASMQ-UHFFFAOYSA-N 1 0 318.461 3.306 20 10 DGCDRO CCOC(=O)CCC[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001258129156 1106679235 /nfs/dbraw/zinc/67/92/35/1106679235.db2.gz UYPDZIIFRVHVAK-OAHLLOKOSA-N 1 0 306.450 3.306 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H](C)Cc3ccco3)CC2)c(C)c1 ZINC001258197340 1106694271 /nfs/dbraw/zinc/69/42/71/1106694271.db2.gz FUSNPZNTYIAONW-INIZCTEOSA-N 1 0 314.429 3.350 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC001320411750 1106999008 /nfs/dbraw/zinc/99/90/08/1106999008.db2.gz SZMYEUKPIFDJQU-VDERGJSUSA-N 1 0 300.446 3.321 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)C(C)C)C2)cc1C ZINC001317120188 1107015970 /nfs/dbraw/zinc/01/59/70/1107015970.db2.gz CKXMZORVQFNUEE-OIISXLGYSA-N 1 0 318.461 3.033 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C ZINC001320509420 1107033362 /nfs/dbraw/zinc/03/33/62/1107033362.db2.gz PYQQJFKMXYRFOY-JKSUJKDBSA-N 1 0 319.468 3.055 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]CC3CC(C)(C)C3)cc2F)CC1 ZINC001320547031 1107049674 /nfs/dbraw/zinc/04/96/74/1107049674.db2.gz ATSRCWFASZQDPG-UHFFFAOYSA-N 1 0 319.468 3.103 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN(C)CC(F)(F)F ZINC001321022757 1107223536 /nfs/dbraw/zinc/22/35/36/1107223536.db2.gz ICOYIDNJZZXWDJ-VXGBXAGGSA-N 1 0 316.367 3.333 20 10 DGCDRO CCCN(Cc1ccc([S@@](C)=O)cc1)c1ccc(C[NH3+])cc1 ZINC001321026209 1107226083 /nfs/dbraw/zinc/22/60/83/1107226083.db2.gz YALHBVAEQAMCBZ-JOCHJYFZSA-N 1 0 316.470 3.299 20 10 DGCDRO NC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC001261370938 1107420710 /nfs/dbraw/zinc/42/07/10/1107420710.db2.gz ZFIVEHNTPPNZCB-IBGZPJMESA-N 1 0 301.478 3.284 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001262012425 1107574511 /nfs/dbraw/zinc/57/45/11/1107574511.db2.gz VXEVLWLUMDOKHX-IRXDYDNUSA-N 1 0 302.487 3.472 20 10 DGCDRO COc1ccc(C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)c(O)c1 ZINC001322417458 1107668018 /nfs/dbraw/zinc/66/80/18/1107668018.db2.gz NNHXWWJHFLRSSN-NSHDSACASA-N 1 0 318.442 3.272 20 10 DGCDRO COc1ccc(O)c(CNCc2csc(C(F)(F)F)n2)c1 ZINC001262361202 1107692941 /nfs/dbraw/zinc/69/29/41/1107692941.db2.gz FLCOZQZSXATVNH-UHFFFAOYSA-N 1 0 318.320 3.166 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C(C)(C)C)C2)cc1C ZINC001263878478 1108280671 /nfs/dbraw/zinc/28/06/71/1108280671.db2.gz ZFFQXNORSRTJQS-WKILWMFISA-N 1 0 318.461 3.034 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC001324777099 1108461434 /nfs/dbraw/zinc/46/14/34/1108461434.db2.gz VDCBTEMXUHLCDW-PKOBYXMFSA-N 1 0 300.446 3.288 20 10 DGCDRO COC(=O)C1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC001325146011 1108582970 /nfs/dbraw/zinc/58/29/70/1108582970.db2.gz MQMPLCNPGHHIQJ-UHFFFAOYSA-N 1 0 316.445 3.110 20 10 DGCDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC001319825798 1108653371 /nfs/dbraw/zinc/65/33/71/1108653371.db2.gz FDMBKOCGMFCKEJ-CQSZACIVSA-N 1 0 315.413 3.472 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CCCOC(C)C)CC2)cc1 ZINC001319848402 1108662724 /nfs/dbraw/zinc/66/27/24/1108662724.db2.gz WMHRYWYKZGNMAL-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO Cc1nnc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)s1 ZINC000391840716 1108781661 /nfs/dbraw/zinc/78/16/61/1108781661.db2.gz MJFFFUAWNGVZLU-ZYHUDNBSSA-N 1 0 303.431 3.241 20 10 DGCDRO CCSC[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000700992007 1108883730 /nfs/dbraw/zinc/88/37/30/1108883730.db2.gz FEGZVDMRGNEZJZ-SECBINFHSA-N 1 0 304.253 3.386 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2=CCCC2)cc1C ZINC001282114632 1109452621 /nfs/dbraw/zinc/45/26/21/1109452621.db2.gz UNPMZNCXYKYJFS-CABCVRRESA-N 1 0 316.445 3.097 20 10 DGCDRO CC[C@H](C)[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001289599747 1110216327 /nfs/dbraw/zinc/21/63/27/1110216327.db2.gz IHLIBVRCCZFOOB-HDMKZQKVSA-N 1 0 319.493 3.154 20 10 DGCDRO CCOC(=O)/C=C\C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC001307424446 1111297932 /nfs/dbraw/zinc/29/79/32/1111297932.db2.gz QUQZGTUTZKLOBU-FPLPWBNLSA-N 1 0 304.434 3.082 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1F ZINC001308184578 1111392608 /nfs/dbraw/zinc/39/26/08/1111392608.db2.gz ATIBLJGRXTWARO-LJQANCHMSA-N 1 0 316.420 3.495 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]C[C@H]3CCCOC3)cc2)CC1 ZINC001308253439 1111405190 /nfs/dbraw/zinc/40/51/90/1111405190.db2.gz WDRAVMLIZWXDEE-GOSISDBHSA-N 1 0 302.462 3.439 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCOC3)cc2)CC1 ZINC001308253440 1111405469 /nfs/dbraw/zinc/40/54/69/1111405469.db2.gz WDRAVMLIZWXDEE-SFHVURJKSA-N 1 0 302.462 3.439 20 10 DGCDRO c1ccc(-c2nnc(CC[NH2+]Cc3ccc4c(c3)CCO4)o2)cc1 ZINC001308340055 1111419201 /nfs/dbraw/zinc/41/92/01/1111419201.db2.gz QXXVAVVQUXHJNF-UHFFFAOYSA-N 1 0 321.380 3.004 20 10 DGCDRO Cc1cc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC001308482523 1111433307 /nfs/dbraw/zinc/43/33/07/1111433307.db2.gz RINONIVFHORTPK-UHFFFAOYSA-N 1 0 322.456 3.468 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc(Cl)o2)N(C)C)cc1 ZINC001308542986 1111440245 /nfs/dbraw/zinc/44/02/45/1111440245.db2.gz FHZVLVDDIRFIIH-INIZCTEOSA-N 1 0 321.852 3.392 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001308557664 1111443789 /nfs/dbraw/zinc/44/37/89/1111443789.db2.gz CUYQFEWKGLDBRC-UHFFFAOYSA-N 1 0 315.486 3.132 20 10 DGCDRO Oc1ccc2c(c1)CC[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001308582291 1111447638 /nfs/dbraw/zinc/44/76/38/1111447638.db2.gz QVWNJGASSUFRJH-UHFFFAOYSA-N 1 0 303.789 3.352 20 10 DGCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(Cl)cc2O)cc1 ZINC001308625346 1111452828 /nfs/dbraw/zinc/45/28/28/1111452828.db2.gz ZLWNKIVIPZXIIK-INIZCTEOSA-N 1 0 321.804 3.220 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H]2CCOc3ccc(F)cc32)c(O)c1 ZINC001308690888 1111461143 /nfs/dbraw/zinc/46/11/43/1111461143.db2.gz HCOLFWLHZVRWNA-INIZCTEOSA-N 1 0 317.360 3.462 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cncc(Cl)c2Cl)c(O)c1 ZINC001308716912 1111465183 /nfs/dbraw/zinc/46/51/83/1111465183.db2.gz VDRNEUXRGLAHDI-UHFFFAOYSA-N 1 0 313.184 3.392 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC001308748547 1111469924 /nfs/dbraw/zinc/46/99/24/1111469924.db2.gz QHOGKSKIZPAANU-ALCCZGGFSA-N 1 0 324.424 3.342 20 10 DGCDRO CCC[N@H+](CCN1CCCC1)Cc1cc(C)cc(OC)c1O ZINC001308758207 1111471224 /nfs/dbraw/zinc/47/12/24/1111471224.db2.gz ZKCUBRARDSLUQF-UHFFFAOYSA-N 1 0 306.450 3.017 20 10 DGCDRO COC(=O)C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)C(C)(C)C ZINC001308957098 1111499913 /nfs/dbraw/zinc/49/99/13/1111499913.db2.gz WTXHVVCAFLPNRZ-MRXNPFEDSA-N 1 0 306.450 3.128 20 10 DGCDRO CC[C@@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294791727 529514899 /nfs/dbraw/zinc/51/48/99/529514899.db2.gz ONFONOMPDKFWRF-HNNXBMFYSA-N 1 0 304.459 3.245 20 10 DGCDRO CN(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1cccs1 ZINC000083551397 192372639 /nfs/dbraw/zinc/37/26/39/192372639.db2.gz DMZFWSMUIWEEGH-CYBMUJFWSA-N 1 0 310.850 3.500 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1O ZINC000236947802 202088454 /nfs/dbraw/zinc/08/84/54/202088454.db2.gz DMPVXRBEVXEMPL-UHFFFAOYSA-N 1 0 300.402 3.147 20 10 DGCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](C)c1cccc(O)c1 ZINC000091975287 193134474 /nfs/dbraw/zinc/13/44/74/193134474.db2.gz ZFQWKBBCZSNZLO-GFCCVEGCSA-N 1 0 315.369 3.410 20 10 DGCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000188491762 284302734 /nfs/dbraw/zinc/30/27/34/284302734.db2.gz UGEHWAKYIITWJS-CHWSQXEVSA-N 1 0 300.402 3.063 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000296446416 284307360 /nfs/dbraw/zinc/30/73/60/284307360.db2.gz MOKYPKUYWZRDCU-ABAIWWIYSA-N 1 0 312.841 3.199 20 10 DGCDRO Nc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020191905 182195595 /nfs/dbraw/zinc/19/55/95/182195595.db2.gz HDAOXUHPOIHFKR-UHFFFAOYSA-N 1 0 301.821 3.244 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000268974878 432149252 /nfs/dbraw/zinc/14/92/52/432149252.db2.gz NISCIBOVVUIAFP-CRAIPNDOSA-N 1 0 320.502 3.196 20 10 DGCDRO Cc1noc([C@H]2CCC[N@H+](Cc3cc(C)c(C)cc3O)C2)n1 ZINC000060126766 184144572 /nfs/dbraw/zinc/14/45/72/184144572.db2.gz QGBZMMUKBCDERH-AWEZNQCLSA-N 1 0 301.390 3.080 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C1CC1 ZINC000186153316 285239598 /nfs/dbraw/zinc/23/95/98/285239598.db2.gz FGDLGOBYRIOJIX-TVQRCGJNSA-N 1 0 314.223 3.230 20 10 DGCDRO Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCSC1 ZINC000278392289 285397604 /nfs/dbraw/zinc/39/76/04/285397604.db2.gz AIXXADAQSIIVRB-GOEBONIOSA-N 1 0 307.459 3.126 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc3c1OCCCO3)CC2 ZINC000297120932 285397645 /nfs/dbraw/zinc/39/76/45/285397645.db2.gz YOCQNZKYJZTZJO-OAHLLOKOSA-N 1 0 311.381 3.331 20 10 DGCDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1O ZINC000183379643 533362803 /nfs/dbraw/zinc/36/28/03/533362803.db2.gz ZJJXPDIEOSLUOR-MRXNPFEDSA-N 1 0 318.461 3.078 20 10 DGCDRO COC[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)OC ZINC000272629791 130048879 /nfs/dbraw/zinc/04/88/79/130048879.db2.gz AONVOYZAEZIICG-ZBFHGGJFSA-N 1 0 324.440 3.128 20 10 DGCDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000272659797 130051948 /nfs/dbraw/zinc/05/19/48/130051948.db2.gz RFZCSXFBFXGTMC-ZIAGYGMSSA-N 1 0 320.433 3.127 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)ccc1OC ZINC000273167526 130094396 /nfs/dbraw/zinc/09/43/96/130094396.db2.gz VFRKSPMSIJHTHJ-MOPGFXCFSA-N 1 0 319.445 3.279 20 10 DGCDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000273418002 130119413 /nfs/dbraw/zinc/11/94/13/130119413.db2.gz RHUIQCZAPVKHAQ-HNNXBMFYSA-N 1 0 312.413 3.090 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273449161 130124171 /nfs/dbraw/zinc/12/41/71/130124171.db2.gz FONMVEDPLFZMCT-BBRMVZONSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c(O)c1C ZINC000273490565 130127437 /nfs/dbraw/zinc/12/74/37/130127437.db2.gz OEOKPXCUMVNUBG-HZPDHXFCSA-N 1 0 311.429 3.334 20 10 DGCDRO Cc1noc(CCC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000273519236 130132696 /nfs/dbraw/zinc/13/26/96/130132696.db2.gz TXNGISXBTTWDPE-LBPRGKRZSA-N 1 0 315.417 3.246 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1O ZINC000273533091 130133872 /nfs/dbraw/zinc/13/38/72/130133872.db2.gz WSTCRAXBSGXLMK-DGCLKSJQSA-N 1 0 311.809 3.382 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1O ZINC000273533096 130134250 /nfs/dbraw/zinc/13/42/50/130134250.db2.gz WSTCRAXBSGXLMK-WCQYABFASA-N 1 0 311.809 3.382 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1[N+](=O)[O-] ZINC000273566061 130138949 /nfs/dbraw/zinc/13/89/49/130138949.db2.gz JOZAGZOXHXBENL-GFCCVEGCSA-N 1 0 316.357 3.468 20 10 DGCDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273622718 130146839 /nfs/dbraw/zinc/14/68/39/130146839.db2.gz ZLXWWHWYYUSELM-IINYFYTJSA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275350889 130308810 /nfs/dbraw/zinc/30/88/10/130308810.db2.gz QOARBKGIYJVRNR-SNVBAGLBSA-N 1 0 324.222 3.345 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000284113302 131050213 /nfs/dbraw/zinc/05/02/13/131050213.db2.gz NLTAPMWYVQCQRN-KBXCAEBGSA-N 1 0 315.413 3.402 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nnc3n2CCCCC3)c(O)c1 ZINC000284191401 131057630 /nfs/dbraw/zinc/05/76/30/131057630.db2.gz RQWKTGGDKWUQRJ-AWEZNQCLSA-N 1 0 314.433 3.178 20 10 DGCDRO COCC1([NH2+]Cc2cc(Br)cc(C)c2O)CCC1 ZINC000284288715 131066703 /nfs/dbraw/zinc/06/67/03/131066703.db2.gz AYJYTCQHRVMPER-UHFFFAOYSA-N 1 0 314.223 3.122 20 10 DGCDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000284438824 131080500 /nfs/dbraw/zinc/08/05/00/131080500.db2.gz RUOQMQQFHLUYRB-KRWDZBQOSA-N 1 0 306.425 3.065 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)c(O)c1 ZINC000285089282 131137111 /nfs/dbraw/zinc/13/71/11/131137111.db2.gz JXJXFSPEEUAAFU-ZDUSSCGKSA-N 1 0 302.422 3.206 20 10 DGCDRO CC[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000287677327 131294046 /nfs/dbraw/zinc/29/40/46/131294046.db2.gz MLKVMVIBZGABNX-DOMZBBRYSA-N 1 0 313.825 3.282 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287750725 131298374 /nfs/dbraw/zinc/29/83/74/131298374.db2.gz LRDAEMVLKRKVPV-INIZCTEOSA-N 1 0 305.805 3.081 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)c1O ZINC000289374991 131379464 /nfs/dbraw/zinc/37/94/64/131379464.db2.gz BPXSQCMIDLUILU-UHFFFAOYSA-N 1 0 313.397 3.479 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@]2(C)OCCc3sccc32)c1O ZINC000291700830 131593239 /nfs/dbraw/zinc/59/32/39/131593239.db2.gz YYTTYXJGSFLTLG-KRWDZBQOSA-N 1 0 303.427 3.340 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)CCCC[NH3+])c(C)n1-c1ccccc1 ZINC000292826450 131680968 /nfs/dbraw/zinc/68/09/68/131680968.db2.gz BGFPAEKXHXXWCL-CQSZACIVSA-N 1 0 313.445 3.341 20 10 DGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294559019 131844360 /nfs/dbraw/zinc/84/43/60/131844360.db2.gz BIDAOZOMTVRZDZ-ZDUSSCGKSA-N 1 0 317.433 3.164 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc3c(c1)OCCCO3)CC2 ZINC000297916300 132040779 /nfs/dbraw/zinc/04/07/79/132040779.db2.gz WWRQAXRTAFUEHV-OAHLLOKOSA-N 1 0 311.381 3.331 20 10 DGCDRO COc1ccc(OC)c(CC[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297918849 132040788 /nfs/dbraw/zinc/04/07/88/132040788.db2.gz XBFGKBCGBSPNTF-INIZCTEOSA-N 1 0 313.397 3.229 20 10 DGCDRO COc1ccccc1C[N@H+](CCO)Cc1cc(C)c(C)cc1O ZINC000091790373 400137526 /nfs/dbraw/zinc/13/75/26/400137526.db2.gz UMJSMZOSAYMHEH-UHFFFAOYSA-N 1 0 315.413 3.012 20 10 DGCDRO CCOCc1cc(C[NH2+]CCCc2nccs2)ccc1OC ZINC000076892469 400678936 /nfs/dbraw/zinc/67/89/36/400678936.db2.gz FIWOLVDVRNFANR-UHFFFAOYSA-N 1 0 320.458 3.411 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCOc3c(F)cccc32)c1 ZINC000089726532 401236721 /nfs/dbraw/zinc/23/67/21/401236721.db2.gz FKLNZBCSFJTDGT-OAHLLOKOSA-N 1 0 303.333 3.153 20 10 DGCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000282317546 287019687 /nfs/dbraw/zinc/01/96/87/287019687.db2.gz NJCQEUYCYHJJKO-IVZQSRNASA-N 1 0 320.502 3.239 20 10 DGCDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000269011040 432151652 /nfs/dbraw/zinc/15/16/52/432151652.db2.gz MSUJEINPFGLYLH-WMZOPIPTSA-N 1 0 320.477 3.115 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CCOCC1 ZINC000134496076 227041219 /nfs/dbraw/zinc/04/12/19/227041219.db2.gz UYTBPOATMMBDFX-JTQLQIEISA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1cc(C(=O)N(C)[C@H](C)C[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000179201556 228350200 /nfs/dbraw/zinc/35/02/00/228350200.db2.gz GATONUJCYXMNAZ-GFCCVEGCSA-N 1 0 319.836 3.167 20 10 DGCDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)C1CCCCC1 ZINC000179564789 228352410 /nfs/dbraw/zinc/35/24/10/228352410.db2.gz QZBIKINCTWXFLY-UHFFFAOYSA-N 1 0 316.445 3.053 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1C ZINC000151397778 432243918 /nfs/dbraw/zinc/24/39/18/432243918.db2.gz HJFMBJUXUZZOBA-DOTOQJQBSA-N 1 0 307.459 3.153 20 10 DGCDRO COCCCOC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000172914230 432246105 /nfs/dbraw/zinc/24/61/05/432246105.db2.gz GHQMIOVUELWVPF-UHFFFAOYSA-N 1 0 307.434 3.027 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151423253 432245450 /nfs/dbraw/zinc/24/54/50/432245450.db2.gz QCQWZRCUAGRHDU-ZFWWWQNUSA-N 1 0 313.850 3.190 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1F ZINC000151454868 432246807 /nfs/dbraw/zinc/24/68/07/432246807.db2.gz XJDOHDAFZHKLAV-YOEHRIQHSA-N 1 0 324.465 3.036 20 10 DGCDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000296161088 276866023 /nfs/dbraw/zinc/86/60/23/276866023.db2.gz XEQDPWJKYRYJGP-IAGOWNOFSA-N 1 0 314.404 3.411 20 10 DGCDRO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000184292363 277593039 /nfs/dbraw/zinc/59/30/39/277593039.db2.gz WSQMBPDCSKALRN-VFCRVFHLSA-N 1 0 308.491 3.095 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000194374228 277917928 /nfs/dbraw/zinc/91/79/28/277917928.db2.gz OZHAHVUOISOQRU-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(N(C)C)cc1 ZINC000090541854 278275752 /nfs/dbraw/zinc/27/57/52/278275752.db2.gz XVWIDHYURJXJHZ-YXJHDRRASA-N 1 0 320.502 3.458 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1ccccn1)C[C@@H]1CCCO1 ZINC000111232945 431200665 /nfs/dbraw/zinc/20/06/65/431200665.db2.gz MZFNTZPHFUWAEA-SFHVURJKSA-N 1 0 312.413 3.011 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](c2cccs2)N(C)C)c1O ZINC000074336708 431415867 /nfs/dbraw/zinc/41/58/67/431415867.db2.gz JUPFBGZHBVOXRR-CQSZACIVSA-N 1 0 320.458 3.245 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551045 431624709 /nfs/dbraw/zinc/62/47/09/431624709.db2.gz BCHACZIRLAQLEK-CYBMUJFWSA-N 1 0 304.365 3.106 20 10 DGCDRO Cc1cc(C[NH2+][C@H]2CCCC23CCOCC3)ccc1N(C)C ZINC000282103858 280495649 /nfs/dbraw/zinc/49/56/49/280495649.db2.gz ISZMEEHURYKGLP-SFHVURJKSA-N 1 0 302.462 3.500 20 10 DGCDRO c1cc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000120781541 431733268 /nfs/dbraw/zinc/73/32/68/431733268.db2.gz GNQRHMABUMRBPU-GOSISDBHSA-N 1 0 312.413 3.283 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1ccccc1O ZINC000121091813 431742999 /nfs/dbraw/zinc/74/29/99/431742999.db2.gz GVVDJHLHXZTNDB-SJLPKXTDSA-N 1 0 301.386 3.175 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1C ZINC000083630493 431810270 /nfs/dbraw/zinc/81/02/70/431810270.db2.gz MQJOCVKEKAKREK-GOSISDBHSA-N 1 0 319.445 3.169 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c(O)c1 ZINC000101589049 431986419 /nfs/dbraw/zinc/98/64/19/431986419.db2.gz BRBKBMYOEZNMRX-INIZCTEOSA-N 1 0 318.417 3.167 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000061361030 432001189 /nfs/dbraw/zinc/00/11/89/432001189.db2.gz JMSDQKPMJMCBPM-CQSZACIVSA-N 1 0 302.443 3.436 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1O ZINC000183732162 432321159 /nfs/dbraw/zinc/32/11/59/432321159.db2.gz UGNMDSAHXDJNST-ZDUSSCGKSA-N 1 0 312.369 3.200 20 10 DGCDRO C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccccc1O ZINC000183605097 432308190 /nfs/dbraw/zinc/30/81/90/432308190.db2.gz FJGKQEPGSLEOTK-GFCCVEGCSA-N 1 0 313.376 3.311 20 10 DGCDRO C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccccc1O ZINC000183605077 432308605 /nfs/dbraw/zinc/30/86/05/432308605.db2.gz FJGKQEPGSLEOTK-LBPRGKRZSA-N 1 0 313.376 3.311 20 10 DGCDRO c1ccc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000192374496 432367242 /nfs/dbraw/zinc/36/72/42/432367242.db2.gz HMJLSXIPFOFEQR-ICSRJNTNSA-N 1 0 309.409 3.489 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccccc1O ZINC000192916067 432428099 /nfs/dbraw/zinc/42/80/99/432428099.db2.gz TUFZVDSMJOJPJR-HOCLYGCPSA-N 1 0 300.402 3.473 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)cc(OC)c1OC ZINC000192936416 432430440 /nfs/dbraw/zinc/43/04/40/432430440.db2.gz ZEWJPXGERDJLBZ-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000184948762 432447226 /nfs/dbraw/zinc/44/72/26/432447226.db2.gz KQTVFQDLGZFMBV-ACJLOTCBSA-N 1 0 301.386 3.093 20 10 DGCDRO OCCCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000193161731 432455789 /nfs/dbraw/zinc/45/57/89/432455789.db2.gz MWVBITVACCPYTD-UHFFFAOYSA-N 1 0 315.413 3.223 20 10 DGCDRO COc1ccc(OC)c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000271711978 432423013 /nfs/dbraw/zinc/42/30/13/432423013.db2.gz ONFIVJMPDRMSSO-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000271812872 432425814 /nfs/dbraw/zinc/42/58/14/432425814.db2.gz LFUQUNMLXDNWNP-ZSEKCTLFSA-N 1 0 303.427 3.289 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000271812865 432426209 /nfs/dbraw/zinc/42/62/09/432426209.db2.gz LFUQUNMLXDNWNP-ASSNKEHSSA-N 1 0 303.427 3.289 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)c1cccc(F)c1 ZINC000271858917 432426347 /nfs/dbraw/zinc/42/63/47/432426347.db2.gz VLGQGKGTAPWURF-ZUZCIYMTSA-N 1 0 309.768 3.396 20 10 DGCDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185149077 432471421 /nfs/dbraw/zinc/47/14/21/432471421.db2.gz XDZRIMIDHXBUQF-ZJUUUORDSA-N 1 0 302.212 3.088 20 10 DGCDRO COC[C@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185148366 432471639 /nfs/dbraw/zinc/47/16/39/432471639.db2.gz PQKDAEMJLVZWSY-ZJUUUORDSA-N 1 0 302.212 3.088 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)c(O)c1 ZINC000185251837 432483250 /nfs/dbraw/zinc/48/32/50/432483250.db2.gz VEXRXJAHTUNDHP-OAHLLOKOSA-N 1 0 304.434 3.144 20 10 DGCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185277066 432485545 /nfs/dbraw/zinc/48/55/45/432485545.db2.gz UMAWYLMNXXHWEO-LBPRGKRZSA-N 1 0 313.445 3.472 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000185442754 432500239 /nfs/dbraw/zinc/50/02/39/432500239.db2.gz SYNYKVOKXCHIJW-DGCLKSJQSA-N 1 0 324.396 3.191 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(Br)ccc1O ZINC000185444785 432500604 /nfs/dbraw/zinc/50/06/04/432500604.db2.gz YYJBEATWRPKHHR-LQJRIPTKSA-N 1 0 314.223 3.109 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(F)ccc1O ZINC000186136981 432561959 /nfs/dbraw/zinc/56/19/59/432561959.db2.gz ROJDQMRYXHRTCR-NORZTCDRSA-N 1 0 311.422 3.237 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000185658169 432520706 /nfs/dbraw/zinc/52/07/06/432520706.db2.gz IWIUOZRMGAAOGR-CVOVGHTJSA-N 1 0 313.438 3.262 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c1 ZINC000155086928 432538570 /nfs/dbraw/zinc/53/85/70/432538570.db2.gz KFQUXQSHGHUNLZ-KRWDZBQOSA-N 1 0 321.804 3.052 20 10 DGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185866159 432539215 /nfs/dbraw/zinc/53/92/15/432539215.db2.gz AHXSJIHKBYBVOR-JTQLQIEISA-N 1 0 323.824 3.201 20 10 DGCDRO CC(C)OCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186642399 432616391 /nfs/dbraw/zinc/61/63/91/432616391.db2.gz FDIHNYPHNXCBSO-SNVBAGLBSA-N 1 0 302.212 3.230 20 10 DGCDRO COc1cccc(C[NH2+]CCSCc2ccccc2)c1O ZINC000263726975 432569736 /nfs/dbraw/zinc/56/97/36/432569736.db2.gz XILROMBJMJEASH-UHFFFAOYSA-N 1 0 303.427 3.424 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000186456424 432596922 /nfs/dbraw/zinc/59/69/22/432596922.db2.gz UQKUQMBIUXFFSH-IFXJQAMLSA-N 1 0 314.429 3.182 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1O ZINC000273460962 432601405 /nfs/dbraw/zinc/60/14/05/432601405.db2.gz CSGYXNRULUVTMA-LLVKDONJSA-N 1 0 304.321 3.333 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](COC)c2ccco2)c(O)c1 ZINC000177576951 432637753 /nfs/dbraw/zinc/63/77/53/432637753.db2.gz AHQVBQZAONWBBE-HNNXBMFYSA-N 1 0 305.374 3.251 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000264521902 432655391 /nfs/dbraw/zinc/65/53/91/432655391.db2.gz ADPHQEGOTGKNBN-AWEZNQCLSA-N 1 0 323.440 3.122 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1C ZINC000266170603 432752729 /nfs/dbraw/zinc/75/27/29/432752729.db2.gz BZONYHWYSKQORA-UHFFFAOYSA-N 1 0 316.367 3.125 20 10 DGCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C)cc3O)CC2)n[nH]1 ZINC000275987984 432764493 /nfs/dbraw/zinc/76/44/93/432764493.db2.gz YXIQCJPKBJLABZ-CQSZACIVSA-N 1 0 314.433 3.052 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000276634566 432823023 /nfs/dbraw/zinc/82/30/23/432823023.db2.gz OBNNLSLYQCDLAC-GOSISDBHSA-N 1 0 300.446 3.336 20 10 DGCDRO CCC(O)(CC)CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000276377672 432802315 /nfs/dbraw/zinc/80/23/15/432802315.db2.gz LACGQYQWKPTNMO-UHFFFAOYSA-N 1 0 301.814 3.085 20 10 DGCDRO CC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C ZINC000296571287 432923357 /nfs/dbraw/zinc/92/33/57/432923357.db2.gz SWXIDACTFLHHCO-UONOGXRCSA-N 1 0 320.433 3.272 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000279066344 432931390 /nfs/dbraw/zinc/93/13/90/432931390.db2.gz LJGJOJALNHPAAI-ZDUSSCGKSA-N 1 0 313.401 3.213 20 10 DGCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000279066341 432931432 /nfs/dbraw/zinc/93/14/32/432931432.db2.gz LJGJOJALNHPAAI-CYBMUJFWSA-N 1 0 313.401 3.213 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC[C@@H](C)O)c1O ZINC000279222867 432947527 /nfs/dbraw/zinc/94/75/27/432947527.db2.gz ZCPPEZBLFFJMQR-MNOVXSKESA-N 1 0 316.239 3.275 20 10 DGCDRO O=C1OCCN1c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296331881 432896885 /nfs/dbraw/zinc/89/68/85/432896885.db2.gz GKDZSHGNRAMHHU-INIZCTEOSA-N 1 0 324.380 3.126 20 10 DGCDRO OCC1(Cc2ccccc2)CC[NH+](Cc2ccccc2O)CC1 ZINC000278745570 432899418 /nfs/dbraw/zinc/89/94/18/432899418.db2.gz RQLYXLWETLXWRK-UHFFFAOYSA-N 1 0 311.425 3.209 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1cc(F)cc(Cl)c1 ZINC000278794293 432901795 /nfs/dbraw/zinc/90/17/95/432901795.db2.gz QWMBNNMHMIUDOT-INIZCTEOSA-N 1 0 321.779 3.237 20 10 DGCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)OC ZINC000290017148 432983392 /nfs/dbraw/zinc/98/33/92/432983392.db2.gz CCRAPAZEHWEPKU-ONGXEEELSA-N 1 0 302.212 3.230 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCO[C@]3(CCSC3)C1)CC2 ZINC000297028275 432951154 /nfs/dbraw/zinc/95/11/54/432951154.db2.gz UQHWBLGCCOCYDT-JJRVBVJISA-N 1 0 305.443 3.024 20 10 DGCDRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297671381 433006030 /nfs/dbraw/zinc/00/60/30/433006030.db2.gz LAFNGMONCPICRZ-CRAIPNDOSA-N 1 0 322.408 3.054 20 10 DGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000290196497 433010101 /nfs/dbraw/zinc/01/01/01/433010101.db2.gz OTKRFVYHYHAMON-BBBLOLIVSA-N 1 0 302.212 3.229 20 10 DGCDRO COc1ncccc1CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000290201863 433012005 /nfs/dbraw/zinc/01/20/05/433012005.db2.gz PFHDQWWTKAXKJH-CQSZACIVSA-N 1 0 300.402 3.306 20 10 DGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000290241665 433019444 /nfs/dbraw/zinc/01/94/44/433019444.db2.gz SQDHVNMUEZVCEK-UTLUCORTSA-N 1 0 302.212 3.229 20 10 DGCDRO CC[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000280239236 433020383 /nfs/dbraw/zinc/02/03/83/433020383.db2.gz VWUVIIJXFKJHEB-CQSZACIVSA-N 1 0 308.422 3.266 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000290361480 433037631 /nfs/dbraw/zinc/03/76/31/433037631.db2.gz GVMKJLGCYPYSMY-QGZVFWFLSA-N 1 0 302.393 3.232 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)c1O ZINC000372897797 433055578 /nfs/dbraw/zinc/05/55/78/433055578.db2.gz QHOLTQAWAMAEQM-CQSZACIVSA-N 1 0 303.333 3.153 20 10 DGCDRO Cc1cnccc1OC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000373236325 433136902 /nfs/dbraw/zinc/13/69/02/433136902.db2.gz HOLJGWWBKLBASR-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000280631217 433113202 /nfs/dbraw/zinc/11/32/02/433113202.db2.gz QKGWDFKBAAEHNV-BXUZGUMPSA-N 1 0 316.367 3.022 20 10 DGCDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000290841384 433186625 /nfs/dbraw/zinc/18/66/25/433186625.db2.gz IHMFFYXGLYTTHS-CABCVRRESA-N 1 0 315.413 3.484 20 10 DGCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc2ccccc2c1O ZINC000280884231 433210464 /nfs/dbraw/zinc/21/04/64/433210464.db2.gz BAYHGTWHYJYDGC-WHEQGISXSA-N 1 0 317.454 3.497 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000290952971 433211888 /nfs/dbraw/zinc/21/18/88/433211888.db2.gz QULHPIITXSCJEE-FUHWJXTLSA-N 1 0 317.429 3.324 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ncccc2N(C)C)c1O ZINC000290994565 433216730 /nfs/dbraw/zinc/21/67/30/433216730.db2.gz AFOMXFZGBDQPRR-UHFFFAOYSA-N 1 0 305.809 3.105 20 10 DGCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCOC(C)(C)C1 ZINC000291624602 433290779 /nfs/dbraw/zinc/29/07/79/433290779.db2.gz RWOGZJZBIJASHA-AWEZNQCLSA-N 1 0 323.433 3.189 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1OCCc2sccc21 ZINC000291680322 433308206 /nfs/dbraw/zinc/30/82/06/433308206.db2.gz HPGZDZUANTUJAV-KPZWWZAWSA-N 1 0 315.438 3.475 20 10 DGCDRO CCCCN(Cc1nnc2n1CCCC2)Cc1ccccc1O ZINC000282398237 433593602 /nfs/dbraw/zinc/59/36/02/433593602.db2.gz HMFJOTONAUCHJO-UHFFFAOYSA-N 1 0 314.433 3.122 20 10 DGCDRO CSC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000292495645 433568157 /nfs/dbraw/zinc/56/81/57/433568157.db2.gz UBCFDDAACILUNO-LBPRGKRZSA-N 1 0 311.422 3.309 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000292771815 433594195 /nfs/dbraw/zinc/59/41/95/433594195.db2.gz KLYGYVWNSOEMLZ-AWEZNQCLSA-N 1 0 304.340 3.039 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1OCCc2sccc21 ZINC000292695950 433586103 /nfs/dbraw/zinc/58/61/03/433586103.db2.gz BTVQPWWLCWKPCQ-QFYYESIMSA-N 1 0 307.390 3.385 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1OCCc2sccc21 ZINC000292695938 433586356 /nfs/dbraw/zinc/58/63/56/433586356.db2.gz BTVQPWWLCWKPCQ-HWPZZCPQSA-N 1 0 307.390 3.385 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000282386011 433588391 /nfs/dbraw/zinc/58/83/91/433588391.db2.gz GIVYFBGWTSNLFZ-MRXNPFEDSA-N 1 0 317.429 3.480 20 10 DGCDRO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)no1 ZINC000375838256 433588879 /nfs/dbraw/zinc/58/88/79/433588879.db2.gz FPAXKTPKWKMEGQ-GFCCVEGCSA-N 1 0 321.808 3.425 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1O ZINC000292750957 433590955 /nfs/dbraw/zinc/59/09/55/433590955.db2.gz IKOPTEUGFQNMLM-KRWDZBQOSA-N 1 0 307.434 3.068 20 10 DGCDRO C[NH+]1CCC2(CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000375998236 433638482 /nfs/dbraw/zinc/63/84/82/433638482.db2.gz FSGWSRIYDHVWIZ-UHFFFAOYSA-N 1 0 308.853 3.353 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](CO)C2CCCCC2)c1O ZINC000293231990 433663106 /nfs/dbraw/zinc/66/31/06/433663106.db2.gz ZHGARORQPMBADR-INIZCTEOSA-N 1 0 307.434 3.069 20 10 DGCDRO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000376150056 433678532 /nfs/dbraw/zinc/67/85/32/433678532.db2.gz KKOUIUOFFOPTQM-UHFFFAOYSA-N 1 0 311.381 3.193 20 10 DGCDRO COc1cccc(C[NH2+]CCc2ccc(Cl)c(OC)c2)c1O ZINC000293477438 433752425 /nfs/dbraw/zinc/75/24/25/433752425.db2.gz ROIZMYDQJNICHA-UHFFFAOYSA-N 1 0 321.804 3.395 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c(O)c1 ZINC000293630677 433806313 /nfs/dbraw/zinc/80/63/13/433806313.db2.gz HNORCKDQGKGDFM-HOTGVXAUSA-N 1 0 307.434 3.245 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1O ZINC000377241876 433851493 /nfs/dbraw/zinc/85/14/93/433851493.db2.gz GSKRYQFVRGZYEX-OAHLLOKOSA-N 1 0 305.418 3.039 20 10 DGCDRO CC[C@H]([NH2+]CC1(COC)CCOCC1)c1ccc(C)cc1O ZINC000293800387 433871762 /nfs/dbraw/zinc/87/17/62/433871762.db2.gz UXJUCLLILMJCMU-INIZCTEOSA-N 1 0 307.434 3.185 20 10 DGCDRO Cc1nnsc1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000293833699 433888948 /nfs/dbraw/zinc/88/89/48/433888948.db2.gz WPIZUXSUXZCUGS-JTQLQIEISA-N 1 0 303.431 3.282 20 10 DGCDRO CCC[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000294718907 434130003 /nfs/dbraw/zinc/13/00/03/434130003.db2.gz HXTUYKHXGPWNFD-INIZCTEOSA-N 1 0 317.477 3.023 20 10 DGCDRO CC[C@]1(CO)CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294847122 434148858 /nfs/dbraw/zinc/14/88/58/434148858.db2.gz ZOJIDPHQUWAQSO-HNNXBMFYSA-N 1 0 301.789 3.169 20 10 DGCDRO COc1ncc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1Cl ZINC000294932509 434155809 /nfs/dbraw/zinc/15/58/09/434155809.db2.gz GHCQIZUPPSCBIR-UHFFFAOYSA-N 1 0 305.809 3.099 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000364068497 434220824 /nfs/dbraw/zinc/22/08/24/434220824.db2.gz SQHBRQOVTNJMOE-QZTJIDSGSA-N 1 0 305.418 3.086 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(C)(C)O ZINC000295100899 434201303 /nfs/dbraw/zinc/20/13/03/434201303.db2.gz VZHKWNUCRUNTDR-TVQRCGJNSA-N 1 0 316.239 3.355 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1O ZINC000364345480 434269723 /nfs/dbraw/zinc/26/97/23/434269723.db2.gz DCXLYIHURGBLGO-KSZLIROESA-N 1 0 318.461 3.076 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000287559369 434395853 /nfs/dbraw/zinc/39/58/53/434395853.db2.gz GEJPOJXNICYJRW-GXFFZTMASA-N 1 0 312.841 3.390 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1F ZINC000370724549 434618495 /nfs/dbraw/zinc/61/84/95/434618495.db2.gz YTJPTQHGINPIMO-INIZCTEOSA-N 1 0 306.425 3.140 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000371869688 434764692 /nfs/dbraw/zinc/76/46/92/434764692.db2.gz JVXDHMHAIJTRGN-SGTLLEGYSA-N 1 0 301.361 3.496 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000361121527 434804173 /nfs/dbraw/zinc/80/41/73/434804173.db2.gz HKZPEHYZXVCVMG-UHFFFAOYSA-N 1 0 318.371 3.448 20 10 DGCDRO O=C([C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O)N1CCCC1 ZINC000372417317 434825126 /nfs/dbraw/zinc/82/51/26/434825126.db2.gz VNTJOALEBNZNPH-HNNXBMFYSA-N 1 0 322.836 3.023 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)c(O)c1C ZINC000528001398 435018570 /nfs/dbraw/zinc/01/85/70/435018570.db2.gz PWUOJJHLIJFDGB-CXAGYDPISA-N 1 0 310.397 3.223 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)on1 ZINC000185357536 301277985 /nfs/dbraw/zinc/27/79/85/301277985.db2.gz WGVJLAPODZRQKG-VIFPVBQESA-N 1 0 311.179 3.302 20 10 DGCDRO Cc1ccc(C[C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)s1 ZINC000080228379 331683903 /nfs/dbraw/zinc/68/39/03/331683903.db2.gz KXXAJUZSUXHFJF-JTQLQIEISA-N 1 0 305.399 3.212 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000185183888 333205127 /nfs/dbraw/zinc/20/51/27/333205127.db2.gz UNQKZDKGQYJESV-CABCVRRESA-N 1 0 312.413 3.056 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c1 ZINC000185183939 333205351 /nfs/dbraw/zinc/20/53/51/333205351.db2.gz UNQKZDKGQYJESV-LSDHHAIUSA-N 1 0 312.413 3.056 20 10 DGCDRO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187736112 333236978 /nfs/dbraw/zinc/23/69/78/333236978.db2.gz DEFHWJSQGGBNAS-LBPRGKRZSA-N 1 0 312.404 3.443 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000360059570 337084748 /nfs/dbraw/zinc/08/47/48/337084748.db2.gz PQSWRTAUFULZML-CVEARBPZSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC2CCSCC2)c1O ZINC000169087336 533953791 /nfs/dbraw/zinc/95/37/91/533953791.db2.gz FACOQIISAAWDGT-UHFFFAOYSA-N 1 0 301.839 3.287 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)o1 ZINC000355109964 534140990 /nfs/dbraw/zinc/14/09/90/534140990.db2.gz BAGPKPFZHYBIHE-UHFFFAOYSA-N 1 0 312.369 3.156 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN(C)Cc2ccccc2)c1 ZINC000185111452 534202729 /nfs/dbraw/zinc/20/27/29/534202729.db2.gz FVDSHGSTAWKKTH-OAHLLOKOSA-N 1 0 314.429 3.183 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccccn2)c1O ZINC000181789500 518279527 /nfs/dbraw/zinc/27/95/27/518279527.db2.gz HCLOICKHWGZWEN-JTQLQIEISA-N 1 0 304.777 3.494 20 10 DGCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000189405285 520201706 /nfs/dbraw/zinc/20/17/06/520201706.db2.gz UNHKTURJVCAMSN-HZPDHXFCSA-N 1 0 317.477 3.194 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]CC3=CCCOC3)cc2)CC1 ZINC000127164220 521040743 /nfs/dbraw/zinc/04/07/43/521040743.db2.gz QSLNEPJMNCXTIX-UHFFFAOYSA-N 1 0 300.446 3.359 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2CCC3(CCCO3)CC2)cc1F ZINC000365072456 522205969 /nfs/dbraw/zinc/20/59/69/522205969.db2.gz WYVFYKWFFCRMDH-UHFFFAOYSA-N 1 0 306.425 3.473 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1ccccc1O ZINC000183316705 522730326 /nfs/dbraw/zinc/73/03/26/522730326.db2.gz NZTQYPITDRMZCS-PBHICJAKSA-N 1 0 312.413 3.138 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(C)cc2)cc1OC ZINC000158833127 522774601 /nfs/dbraw/zinc/77/46/01/522774601.db2.gz NUMWTLAZOKAGQV-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1cc(O)c(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000180045661 522779563 /nfs/dbraw/zinc/77/95/63/522779563.db2.gz BJIIWBUHHPRNQL-UHFFFAOYSA-N 1 0 317.429 3.468 20 10 DGCDRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1ccccc1O ZINC000183384666 522827699 /nfs/dbraw/zinc/82/76/99/522827699.db2.gz XCWGQLSUGQEQAG-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000191640993 523899415 /nfs/dbraw/zinc/89/94/15/523899415.db2.gz OTKRFVYHYHAMON-LPEHRKFASA-N 1 0 302.212 3.229 20 10 DGCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000130815085 523942725 /nfs/dbraw/zinc/94/27/25/523942725.db2.gz RKCMVFAIDVUBHH-UHFFFAOYSA-N 1 0 318.392 3.108 20 10 DGCDRO COCCOc1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000264987466 524058307 /nfs/dbraw/zinc/05/83/07/524058307.db2.gz WHFJVFOTDMVTQS-UHFFFAOYSA-N 1 0 321.804 3.361 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1Cl ZINC000132375223 524073177 /nfs/dbraw/zinc/07/31/77/524073177.db2.gz JHPFXRVXZQKOBC-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1O ZINC000180629286 524388620 /nfs/dbraw/zinc/38/86/20/524388620.db2.gz OOXJPGUYLWUZIK-GOSISDBHSA-N 1 0 319.445 3.251 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCC(F)(F)F)CC2)cc1 ZINC000363566183 524404500 /nfs/dbraw/zinc/40/45/00/524404500.db2.gz NNOQUIPGUNLBEG-UHFFFAOYSA-N 1 0 302.340 3.206 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2cccn2C)c1 ZINC000180638346 524737238 /nfs/dbraw/zinc/73/72/38/524737238.db2.gz KURJHDXNHVEZOG-KRWDZBQOSA-N 1 0 300.402 3.467 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000182410341 524764347 /nfs/dbraw/zinc/76/43/47/524764347.db2.gz YQIGUIKVXOLDKE-DIFFPNOSSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186355034 524766377 /nfs/dbraw/zinc/76/63/77/524766377.db2.gz WZEHTVZGWQUYOY-GLFJAGTFSA-N 1 0 317.429 3.399 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1 ZINC000182392189 524770869 /nfs/dbraw/zinc/77/08/69/524770869.db2.gz DMFRLUNHPCCALU-LIRRHRJNSA-N 1 0 315.413 3.402 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000182410324 524773196 /nfs/dbraw/zinc/77/31/96/524773196.db2.gz YQIGUIKVXOLDKE-GTNSWQLSSA-N 1 0 321.804 3.438 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000264932734 525352734 /nfs/dbraw/zinc/35/27/34/525352734.db2.gz BLSCFJZTQUQHKB-ZDUSSCGKSA-N 1 0 310.397 3.436 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000189311840 525485554 /nfs/dbraw/zinc/48/55/54/525485554.db2.gz AAANIIBVOSMLOT-MDZRGWNJSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124808626 525495976 /nfs/dbraw/zinc/49/59/76/525495976.db2.gz GVEPEFQCIVNYJL-ACJLOTCBSA-N 1 0 302.393 3.276 20 10 DGCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2c(O)cccc2Cl)c(C)o1 ZINC000266150778 525500949 /nfs/dbraw/zinc/50/09/49/525500949.db2.gz KJVLVMBFHKNQEE-INIZCTEOSA-N 1 0 309.793 3.253 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000159649695 525610720 /nfs/dbraw/zinc/61/07/20/525610720.db2.gz JOPITBZAADKEMX-ZFWWWQNUSA-N 1 0 324.465 3.209 20 10 DGCDRO Nc1ccc(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000237925159 527477866 /nfs/dbraw/zinc/47/78/66/527477866.db2.gz ZUEWBOLCBQPEGX-UHFFFAOYSA-N 1 0 323.440 3.436 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)cc1 ZINC000280907954 535765301 /nfs/dbraw/zinc/76/53/01/535765301.db2.gz CTUYIMVSFZOBPN-LHSJRXKWSA-N 1 0 308.491 3.095 20 10 DGCDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273406984 535770023 /nfs/dbraw/zinc/77/00/23/535770023.db2.gz OQDCZWJWUZRCOP-AWEZNQCLSA-N 1 0 320.433 3.281 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C)cc1O ZINC000285729119 535932944 /nfs/dbraw/zinc/93/29/44/535932944.db2.gz QSJXPDKUSAVQJG-HDMKZQKVSA-N 1 0 318.461 3.435 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc2ccccc2c1O ZINC000186115284 546193280 /nfs/dbraw/zinc/19/32/80/546193280.db2.gz YDKUPSAGMHRQQP-DOMZBBRYSA-N 1 0 307.397 3.477 20 10 DGCDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)C1=CC(=O)CS1 ZINC000732278787 574570586 /nfs/dbraw/zinc/57/05/86/574570586.db2.gz VJDGOJDENQYXNQ-UHFFFAOYSA-N 1 0 322.474 3.228 20 10 DGCDRO CCCC[N@H+](C)CCNC(=O)N(CCC)Cc1ccccc1O ZINC000732889401 574586365 /nfs/dbraw/zinc/58/63/65/574586365.db2.gz OEMAECTWISLQNW-UHFFFAOYSA-N 1 0 321.465 3.046 20 10 DGCDRO COCCOc1ccccc1C[NH2+]Cc1cc(C)ccc1O ZINC000733325365 574615877 /nfs/dbraw/zinc/61/58/77/574615877.db2.gz KGZCDEMFZXLASY-UHFFFAOYSA-N 1 0 301.386 3.016 20 10 DGCDRO CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)[NH+](CC)CC ZINC000736004373 574725658 /nfs/dbraw/zinc/72/56/58/574725658.db2.gz UCRKMZOICVJBMV-SFHVURJKSA-N 1 0 319.493 3.269 20 10 DGCDRO CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@@H]1CCOC1 ZINC000738081023 574858678 /nfs/dbraw/zinc/85/86/78/574858678.db2.gz JJCHOFIGKYBYPJ-AWEZNQCLSA-N 1 0 315.413 3.412 20 10 DGCDRO Cc1ncc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000738298301 574865095 /nfs/dbraw/zinc/86/50/95/574865095.db2.gz HYOTZNPMCGCXBY-UHFFFAOYSA-N 1 0 310.445 3.407 20 10 DGCDRO Cc1ccoc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000742367441 574992592 /nfs/dbraw/zinc/99/25/92/574992592.db2.gz UQWFBRBZPPRWBS-UHFFFAOYSA-N 1 0 302.443 3.431 20 10 DGCDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)C2 ZINC000742369421 574993033 /nfs/dbraw/zinc/99/30/33/574993033.db2.gz GKABYCFEQKXHJV-INIZCTEOSA-N 1 0 313.397 3.111 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCSC2)ccc1N1CCCCC1 ZINC000742383016 574994429 /nfs/dbraw/zinc/99/44/29/574994429.db2.gz RMCHUAJPGXMEAH-CQSZACIVSA-N 1 0 321.446 3.180 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000743406682 575049919 /nfs/dbraw/zinc/04/99/19/575049919.db2.gz YOJVONDXJNVEMV-UHFFFAOYSA-N 1 0 319.445 3.398 20 10 DGCDRO CC(C)OC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000743841729 575064880 /nfs/dbraw/zinc/06/48/80/575064880.db2.gz UCVQRHQSPYTROH-UHFFFAOYSA-N 1 0 304.434 3.059 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cn3cc(C)ccc3n2)c1 ZINC000729680840 575259884 /nfs/dbraw/zinc/25/98/84/575259884.db2.gz BWFFMCJSSFDJRD-UHFFFAOYSA-N 1 0 311.385 3.037 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCOC3)C1)CCC2 ZINC000747830251 575545089 /nfs/dbraw/zinc/54/50/89/575545089.db2.gz LQOYOAPASUBCRM-SJORKVTESA-N 1 0 301.430 3.129 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000748246290 575575068 /nfs/dbraw/zinc/57/50/68/575575068.db2.gz LRQNPRUHJILZER-QGZVFWFLSA-N 1 0 300.450 3.363 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[N@@H+](C(C)C)CC2)c1O ZINC000750043026 575699998 /nfs/dbraw/zinc/69/99/98/575699998.db2.gz CGGQENXYHMCHFN-UHFFFAOYSA-N 1 0 324.852 3.164 20 10 DGCDRO CN(C)C(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000725844216 575927656 /nfs/dbraw/zinc/92/76/56/575927656.db2.gz LDOZEHOJUKMFLG-UHFFFAOYSA-N 1 0 318.804 3.037 20 10 DGCDRO CC(C)[N@@H+]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000727823458 576147495 /nfs/dbraw/zinc/14/74/95/576147495.db2.gz JEMBLNOBBMMOFZ-UHFFFAOYSA-N 1 0 320.477 3.311 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3c[nH]nc3C)CC2)cc1 ZINC000154146588 620643382 /nfs/dbraw/zinc/64/33/82/620643382.db2.gz LKXOGVGNDSYQDP-CYBMUJFWSA-N 1 0 314.433 3.046 20 10 DGCDRO COc1ccc(N(C)Cc2cccc3c2CC[NH2+]C3)cc1F ZINC000852747107 620645467 /nfs/dbraw/zinc/64/54/67/620645467.db2.gz WXBOYQVSAOJEHY-UHFFFAOYSA-N 1 0 300.377 3.116 20 10 DGCDRO CC(C)(C[NH2+]Cc1cc2c(cc1O)OCO2)CC(F)(F)F ZINC000853096269 620668406 /nfs/dbraw/zinc/66/84/06/620668406.db2.gz VGWAZUNRZYAGLY-UHFFFAOYSA-N 1 0 305.296 3.189 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853565086 620710147 /nfs/dbraw/zinc/71/01/47/620710147.db2.gz AFJLZWOLGJGARC-BEFAXECRSA-N 1 0 303.446 3.466 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1CC1CCC1)[C@@H](O)CO2 ZINC000853607796 620715983 /nfs/dbraw/zinc/71/59/83/620715983.db2.gz VXOSWQMKGYYXAY-YJBOKZPZSA-N 1 0 317.429 3.363 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CC1CCC1)[C@@H](O)CO2 ZINC000853607795 620716020 /nfs/dbraw/zinc/71/60/20/620716020.db2.gz VXOSWQMKGYYXAY-QAPCUYQASA-N 1 0 317.429 3.363 20 10 DGCDRO O=C(NCc1cccc(Cl)c1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000890759472 617656409 /nfs/dbraw/zinc/65/64/09/617656409.db2.gz CWCHRVJAXHDPRU-OAHLLOKOSA-N 1 0 322.836 3.069 20 10 DGCDRO CN(C)c1ccc([C@H](CNC(=O)CCCC2CC2)[NH+](C)C)cc1 ZINC000891247275 617759703 /nfs/dbraw/zinc/75/97/03/617759703.db2.gz HWCWKLACJCXFTA-SFHVURJKSA-N 1 0 317.477 3.052 20 10 DGCDRO CCn1cc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000891435671 617798775 /nfs/dbraw/zinc/79/87/75/617798775.db2.gz FYQCXWCDOGBGKN-UHFFFAOYSA-N 1 0 300.450 3.300 20 10 DGCDRO CCC[N@@H+](Cc1ccc(OC)c(OC)c1O)C[C@@H]1CCCCO1 ZINC000891944111 617930620 /nfs/dbraw/zinc/93/06/20/617930620.db2.gz YJQFFTCIHFLEKD-HNNXBMFYSA-N 1 0 323.433 3.191 20 10 DGCDRO COc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c(O)c1OC ZINC000892105910 617963474 /nfs/dbraw/zinc/96/34/74/617963474.db2.gz QZUCRYBTLVLCEL-UHFFFAOYSA-N 1 0 317.307 3.104 20 10 DGCDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000892204186 617983985 /nfs/dbraw/zinc/98/39/85/617983985.db2.gz WFXTZHGMTNGIPD-LBPRGKRZSA-N 1 0 313.463 3.373 20 10 DGCDRO COc1ccc(C[N@@H+]2CCCC[C@@H](SC)C2)c(O)c1OC ZINC000892233412 617991612 /nfs/dbraw/zinc/99/16/12/617991612.db2.gz QMMDZSBRCKJWMQ-CYBMUJFWSA-N 1 0 311.447 3.127 20 10 DGCDRO CC[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccccc1O ZINC000155102994 620767596 /nfs/dbraw/zinc/76/75/96/620767596.db2.gz JLCXVPQHMWCGAZ-MRXNPFEDSA-N 1 0 308.385 3.214 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CS[C@H](C)C3)CC2)cc1 ZINC000840856987 618023490 /nfs/dbraw/zinc/02/34/90/618023490.db2.gz SXGJEFSRLVQKLW-UKRRQHHQSA-N 1 0 306.475 3.148 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)c1 ZINC000840882328 618111793 /nfs/dbraw/zinc/11/17/93/618111793.db2.gz SSHPEKUAPQDAGO-UKRRQHHQSA-N 1 0 303.377 3.266 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c(O)c1OC ZINC000892621141 618120527 /nfs/dbraw/zinc/12/05/27/618120527.db2.gz HRWBNYROJWMISK-RISCZKNCSA-N 1 0 317.385 3.416 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)c1 ZINC000854223753 620785974 /nfs/dbraw/zinc/78/59/74/620785974.db2.gz VMWWGEYSUCXEEK-SZVBFZGTSA-N 1 0 310.441 3.497 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3ccc(C)cc32)c(O)c1OC ZINC000892920777 618349930 /nfs/dbraw/zinc/34/99/30/618349930.db2.gz KMOAMQFWMNMXQE-INIZCTEOSA-N 1 0 313.397 3.495 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCOc3c(F)cccc32)c1O ZINC000894532687 618373909 /nfs/dbraw/zinc/37/39/09/618373909.db2.gz DNWWKHMAROKJEW-OAHLLOKOSA-N 1 0 317.360 3.462 20 10 DGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@H]1CCOC(C)(C)C1 ZINC000894535827 618374825 /nfs/dbraw/zinc/37/48/25/618374825.db2.gz OHQDVSSHOPLLJA-AWEZNQCLSA-N 1 0 323.433 3.189 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CCCN2C)cc1 ZINC000920415049 620799646 /nfs/dbraw/zinc/79/96/46/620799646.db2.gz DDFNRYFZRZEDIR-LJQANCHMSA-N 1 0 303.494 3.497 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1O ZINC000894573763 618390233 /nfs/dbraw/zinc/39/02/33/618390233.db2.gz WVXFFZZSMNQWHY-INIZCTEOSA-N 1 0 313.397 3.062 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000894683618 618422821 /nfs/dbraw/zinc/42/28/21/618422821.db2.gz BYAMKTWKZMBQEW-QDMKHBRRSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3onc(C)c3c2)c1 ZINC000894782199 618457452 /nfs/dbraw/zinc/45/74/52/618457452.db2.gz JZHKYYSTGWDCNL-SNVBAGLBSA-N 1 0 313.357 3.096 20 10 DGCDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C[C@@H]1OC ZINC000893172117 618457965 /nfs/dbraw/zinc/45/79/65/618457965.db2.gz MCIOFWQFCOACOD-GJZGRUSLSA-N 1 0 323.433 3.093 20 10 DGCDRO COc1ccc(C[NH+]2CC(Cc3ccccc3)C2)c(O)c1OC ZINC000894820302 618465705 /nfs/dbraw/zinc/46/57/05/618465705.db2.gz VIVMUGZPIQALTB-UHFFFAOYSA-N 1 0 313.397 3.084 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(F)cnc2Cl)c1O ZINC000894872021 618484362 /nfs/dbraw/zinc/48/43/62/618484362.db2.gz DMZTXSXQMKITOJ-UHFFFAOYSA-N 1 0 310.756 3.187 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CC(C)(CC(F)(F)F)C2)c1O ZINC000894980705 618506325 /nfs/dbraw/zinc/50/63/25/618506325.db2.gz XPPUGNJBVMDLPA-UHFFFAOYSA-N 1 0 303.324 3.484 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c(O)c1OC ZINC000895009398 618509796 /nfs/dbraw/zinc/50/97/96/618509796.db2.gz WOKJCNBIAQRHSZ-MAUKXSAKSA-N 1 0 317.360 3.136 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](CCO)c2ccccc2F)c1O ZINC000895086831 618533909 /nfs/dbraw/zinc/53/39/09/618533909.db2.gz WMKKCHFICGYRDT-INIZCTEOSA-N 1 0 319.376 3.062 20 10 DGCDRO [NH3+][C@H]1CC[C@H](N(Cc2cc(F)ccc2O)c2ccccn2)CC1 ZINC000895110254 618538960 /nfs/dbraw/zinc/53/89/60/618538960.db2.gz FZGBPDICEDBDLU-WKILWMFISA-N 1 0 315.392 3.203 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c1O ZINC000895182301 618568991 /nfs/dbraw/zinc/56/89/91/618568991.db2.gz CBKMWBMHDLJMDG-WBVHZDCISA-N 1 0 305.418 3.147 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c1O ZINC000895273194 618585680 /nfs/dbraw/zinc/58/56/80/618585680.db2.gz JBCFKWPTWYPBPM-INIZCTEOSA-N 1 0 318.461 3.206 20 10 DGCDRO CCc1ccc(C)[nH+]c1NCc1ccc(OC)c(OC)c1O ZINC000895329950 618597440 /nfs/dbraw/zinc/59/74/40/618597440.db2.gz LBHOZATYQPQJOR-UHFFFAOYSA-N 1 0 302.374 3.287 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840935383 618609959 /nfs/dbraw/zinc/60/99/59/618609959.db2.gz NUDDQBZTQHKGTG-CDMIOBSGSA-N 1 0 322.518 3.230 20 10 DGCDRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935204 618609987 /nfs/dbraw/zinc/60/99/87/618609987.db2.gz IGFGMWKDFIAPFQ-MRXNPFEDSA-N 1 0 304.459 3.254 20 10 DGCDRO CC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@H](C)[S@]1=O ZINC000840948284 618620999 /nfs/dbraw/zinc/62/09/99/618620999.db2.gz NKFWKVFMQUHATD-XXRNEEKGSA-N 1 0 315.866 3.085 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cnccc2C(C)(C)C)c1O ZINC000840957660 618633922 /nfs/dbraw/zinc/63/39/22/618633922.db2.gz FECJDNNFZDDZAS-UHFFFAOYSA-N 1 0 300.402 3.383 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1 ZINC000840969420 618645063 /nfs/dbraw/zinc/64/50/63/618645063.db2.gz IVKUORAMVDKFOZ-QGZVFWFLSA-N 1 0 305.418 3.038 20 10 DGCDRO CC[C@@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1ccccc1O ZINC000925853369 618646429 /nfs/dbraw/zinc/64/64/29/618646429.db2.gz INULGCWVLYLHKD-OCCSQVGLSA-N 1 0 302.340 3.117 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C(F)(F)F)CCCN2)c(O)c1 ZINC000925852758 618646458 /nfs/dbraw/zinc/64/64/58/618646458.db2.gz GHNPVBVFGCRJIM-SMDDNHRTSA-N 1 0 302.340 3.036 20 10 DGCDRO CCc1nn(C)cc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975060 618651038 /nfs/dbraw/zinc/65/10/38/618651038.db2.gz CDFNBBIOYUXBPA-OAHLLOKOSA-N 1 0 314.477 3.078 20 10 DGCDRO CCc1ncc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840977174 618653062 /nfs/dbraw/zinc/65/30/62/618653062.db2.gz UFPPKRQAMDADSX-HNNXBMFYSA-N 1 0 312.461 3.134 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1O ZINC000893972827 618685440 /nfs/dbraw/zinc/68/54/40/618685440.db2.gz FHCUFUKROMOXLU-UHFFFAOYSA-N 1 0 317.385 3.055 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cn2c(n1)CCCC2 ZINC000924869545 618712370 /nfs/dbraw/zinc/71/23/70/618712370.db2.gz HNPZQIPHYZMVRZ-HNNXBMFYSA-N 1 0 324.472 3.453 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)N2CCCCC2)c1O ZINC000894145884 618720035 /nfs/dbraw/zinc/72/00/35/618720035.db2.gz JMFSSJLALKGHRG-UHFFFAOYSA-N 1 0 306.450 3.063 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2COc3ccccc3C2)c(O)c1 ZINC000894186489 618725979 /nfs/dbraw/zinc/72/59/79/618725979.db2.gz XEKAFJHRQHXCHA-XJKSGUPXSA-N 1 0 313.397 3.130 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(OC(C)C)nc2)c1O ZINC000894185361 618726029 /nfs/dbraw/zinc/72/60/29/618726029.db2.gz JUWLANMMCVYBRP-UHFFFAOYSA-N 1 0 316.401 3.181 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1O ZINC000894375396 618774385 /nfs/dbraw/zinc/77/43/85/618774385.db2.gz KGRLFYJZQDNBOH-HZPDHXFCSA-N 1 0 307.434 3.393 20 10 DGCDRO CCCSC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895451535 618786583 /nfs/dbraw/zinc/78/65/83/618786583.db2.gz ORIKAIMSMCGXIM-HNNXBMFYSA-N 1 0 322.518 3.269 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)Cc1ccoc1 ZINC000895585630 618802584 /nfs/dbraw/zinc/80/25/84/618802584.db2.gz LAHHPPAYRTUHDX-OAHLLOKOSA-N 1 0 311.381 3.079 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1F ZINC000895582294 618804270 /nfs/dbraw/zinc/80/42/70/618804270.db2.gz KAWODSYELAAOOA-LLVKDONJSA-N 1 0 323.412 3.477 20 10 DGCDRO CCC1([NH+]2CCC2)CCN(Cc2c(O)cccc2Cl)CC1 ZINC000895827906 618834320 /nfs/dbraw/zinc/83/43/20/618834320.db2.gz OQNQHQNEUYJHGT-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1 ZINC000895822516 618836161 /nfs/dbraw/zinc/83/61/61/618836161.db2.gz ODHIKHRDTVRNTH-QGZVFWFLSA-N 1 0 305.418 3.230 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1O ZINC000895823271 618836163 /nfs/dbraw/zinc/83/61/63/618836163.db2.gz ZAVIUZGRQWCSMA-AGGDQXJMSA-N 1 0 319.445 3.017 20 10 DGCDRO COCC1C[NH+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000895970225 618856265 /nfs/dbraw/zinc/85/62/65/618856265.db2.gz TUDBKFCSKLFNAS-UHFFFAOYSA-N 1 0 316.470 3.463 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1O ZINC000896226324 618888455 /nfs/dbraw/zinc/88/84/55/618888455.db2.gz DBVJXDZUWXIEAW-ZDUSSCGKSA-N 1 0 319.298 3.267 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897036072 619005219 /nfs/dbraw/zinc/00/52/19/619005219.db2.gz HVQCPOLNMMUSNB-UHFFFAOYSA-N 1 0 313.800 3.312 20 10 DGCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3c(C)cccc3O)C2)n1 ZINC000897042934 619007454 /nfs/dbraw/zinc/00/74/54/619007454.db2.gz IKCOCKIUEJNVPX-QWHCGFSZSA-N 1 0 301.390 3.072 20 10 DGCDRO c1nn(CC2CCC2)cc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000897428647 619117436 /nfs/dbraw/zinc/11/74/36/619117436.db2.gz OCINRTWWIZOGIF-UHFFFAOYSA-N 1 0 311.429 3.298 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c1O ZINC000897507930 619140998 /nfs/dbraw/zinc/14/09/98/619140998.db2.gz HRKCJSJCGFYTRM-ZIAGYGMSSA-N 1 0 311.809 3.101 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000897537445 619150815 /nfs/dbraw/zinc/15/08/15/619150815.db2.gz YLDBYBSGRZULJD-HGFKVBKKSA-N 1 0 302.462 3.297 20 10 DGCDRO C[C@@H]1CC2(CC([NH2+]C/C=C\c3ccc(N(C)C)cc3)C2)CO1 ZINC000897775170 619179188 /nfs/dbraw/zinc/17/91/88/619179188.db2.gz BKERTLPDSJLMLG-NGWACBSQSA-N 1 0 300.446 3.313 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1O ZINC000897778830 619181328 /nfs/dbraw/zinc/18/13/28/619181328.db2.gz KTLXFJJZIDLVQC-UFRSZFPASA-N 1 0 311.809 3.101 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CC23CC(O)C3)cc1 ZINC000897855212 619184496 /nfs/dbraw/zinc/18/44/96/619184496.db2.gz WKXXZQXQHLHPCQ-XBMUEBEBSA-N 1 0 302.462 3.316 20 10 DGCDRO CCCn1c(C[NH2+]CCc2ccc(N)cc2)nc2ccccc21 ZINC000841036481 619191484 /nfs/dbraw/zinc/19/14/84/619191484.db2.gz OWZOZCWVBXSKCG-UHFFFAOYSA-N 1 0 308.429 3.361 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)Cc2cccnc2)ccc1OC ZINC000897970666 619196224 /nfs/dbraw/zinc/19/62/24/619196224.db2.gz UDWNTKHDIGRTTP-HNNXBMFYSA-N 1 0 314.429 3.348 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@H]34)CC2)cc1 ZINC000897955234 619198622 /nfs/dbraw/zinc/19/86/22/619198622.db2.gz RIANGRZEAJCZDS-ZOCIIQOWSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc1Cn1cccn1 ZINC000897960020 619198997 /nfs/dbraw/zinc/19/89/97/619198997.db2.gz NRQDZEOFZIJMJZ-RYQLBKOJSA-N 1 0 311.429 3.218 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1F ZINC000898070829 619212349 /nfs/dbraw/zinc/21/23/49/619212349.db2.gz ADLYSLSKUAMMLT-CQSZACIVSA-N 1 0 319.449 3.413 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000898071738 619212990 /nfs/dbraw/zinc/21/29/90/619212990.db2.gz RDHMHEURMLZWDY-ZDUSSCGKSA-N 1 0 318.442 3.312 20 10 DGCDRO Cc1nc2ccccn2c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000898273575 619231314 /nfs/dbraw/zinc/23/13/14/619231314.db2.gz BEXUHIMPKIGLNZ-UHFFFAOYSA-N 1 0 308.429 3.307 20 10 DGCDRO COc1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)c(O)c1OC ZINC000898317442 619236911 /nfs/dbraw/zinc/23/69/11/619236911.db2.gz ITEHUPLFQUQBGA-INIZCTEOSA-N 1 0 314.385 3.045 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2c(F)cccc2Cl)cc1 ZINC000841041494 619242991 /nfs/dbraw/zinc/24/29/91/619242991.db2.gz CNNSARKQKCIWJR-QGZVFWFLSA-N 1 0 321.827 3.335 20 10 DGCDRO CCO[C@@H](C[NH2+][C@H](CC)c1cc(Cl)ccc1O)CN(C)C ZINC000926959538 619252485 /nfs/dbraw/zinc/25/24/85/619252485.db2.gz JRQQXARSCDCGCF-DZGCQCFKSA-N 1 0 314.857 3.053 20 10 DGCDRO CCO[C@@H](C[NH2+][C@@H](CC)c1cc(Cl)ccc1O)CN(C)C ZINC000926959559 619252584 /nfs/dbraw/zinc/25/25/84/619252584.db2.gz JRQQXARSCDCGCF-ZFWWWQNUSA-N 1 0 314.857 3.053 20 10 DGCDRO CC[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(C)cc1O ZINC000927119739 619268332 /nfs/dbraw/zinc/26/83/32/619268332.db2.gz ZHSFFQJXAGTXEG-CYBMUJFWSA-N 1 0 318.442 3.471 20 10 DGCDRO CC[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(C)cc1O ZINC000927119748 619268406 /nfs/dbraw/zinc/26/84/06/619268406.db2.gz ZHSFFQJXAGTXEG-ZDUSSCGKSA-N 1 0 318.442 3.471 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1 ZINC000898449661 619276206 /nfs/dbraw/zinc/27/62/06/619276206.db2.gz IQJNPURZZTXIRE-HNAYVOBHSA-N 1 0 312.461 3.101 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000898482219 619278419 /nfs/dbraw/zinc/27/84/19/619278419.db2.gz APGRAVGDVCZXAM-NEPJUHHUSA-N 1 0 311.809 3.175 20 10 DGCDRO COC(=O)C1CCC([NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000898610524 619288146 /nfs/dbraw/zinc/28/81/46/619288146.db2.gz LBEJOAJJDOIIQR-UHFFFAOYSA-N 1 0 311.809 3.175 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccncc1 ZINC000901705733 619533855 /nfs/dbraw/zinc/53/38/55/619533855.db2.gz GBNXLRWFUPKRTE-DNVCBOLYSA-N 1 0 312.461 3.101 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cccnc1 ZINC000901707345 619536698 /nfs/dbraw/zinc/53/66/98/619536698.db2.gz UXVHXHSYHNDSGZ-BEFAXECRSA-N 1 0 312.461 3.101 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2N)c2c1c(F)ccc2O ZINC000902437012 619635910 /nfs/dbraw/zinc/63/59/10/619635910.db2.gz GHLKTPQPWANSFV-MIBCPZNCSA-N 1 0 312.388 3.294 20 10 DGCDRO C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1cccc(C(F)(F)F)c1O ZINC000902444359 619637021 /nfs/dbraw/zinc/63/70/21/619637021.db2.gz NFXIIWATALWWNA-JOYOIKCWSA-N 1 0 302.340 3.060 20 10 DGCDRO CC[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(C(F)(F)F)cc1O ZINC000902468995 619641881 /nfs/dbraw/zinc/64/18/81/619641881.db2.gz NJAWUNYXBFZARU-IGHBBLSQSA-N 1 0 314.351 3.345 20 10 DGCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc(C)cc(C)c3O)C2)n1 ZINC000902584565 619657462 /nfs/dbraw/zinc/65/74/62/619657462.db2.gz MXIVBNDBZQPPLB-HNNXBMFYSA-N 1 0 315.417 3.155 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2nncn2C)C(C)C)c(O)c1C ZINC000903066258 619709651 /nfs/dbraw/zinc/70/96/51/619709651.db2.gz UKXRECYOGSGZJX-DZGCQCFKSA-N 1 0 302.422 3.185 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000903177887 619730484 /nfs/dbraw/zinc/73/04/84/619730484.db2.gz CBFZSBLVVRDHBP-COPLHBTASA-N 1 0 303.324 3.461 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000903180304 619731356 /nfs/dbraw/zinc/73/13/56/619731356.db2.gz YWHRDTKWZKNJQU-MISXGVKJSA-N 1 0 303.324 3.461 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CC2(C3(O)CCC3)CC2)c2c1c(F)ccc2O ZINC000903257833 619746162 /nfs/dbraw/zinc/74/61/62/619746162.db2.gz LUZAGYBVGGJAHX-YPMHNXCESA-N 1 0 305.393 3.364 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c(O)c1 ZINC000903271306 619750005 /nfs/dbraw/zinc/75/00/05/619750005.db2.gz MGXHKJXFNXWGDB-WRWLIDTKSA-N 1 0 311.425 3.444 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(F)c2)c1O ZINC000903310292 619757309 /nfs/dbraw/zinc/75/73/09/619757309.db2.gz PQMODSVJHOHDFS-KPZWWZAWSA-N 1 0 319.376 3.098 20 10 DGCDRO C[C@@H]([NH2+]C1CC(CCO)C1)c1ccc(N2CCCCC2)cc1 ZINC000903331567 619762462 /nfs/dbraw/zinc/76/24/62/619762462.db2.gz ZAHIVJHVCZAVNA-KLHKWILBSA-N 1 0 302.462 3.489 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(OC(C)C)CCOC2)cc1 ZINC000903359590 619765241 /nfs/dbraw/zinc/76/52/41/619765241.db2.gz DPPBWRYBRSVLKJ-QFBILLFUSA-N 1 0 320.477 3.377 20 10 DGCDRO C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1cc(F)ccc1O ZINC000903381870 619769192 /nfs/dbraw/zinc/76/91/92/619769192.db2.gz ZJUPOCXANYVBII-CXAGYDPISA-N 1 0 317.408 3.270 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cncs1 ZINC000903448420 619778565 /nfs/dbraw/zinc/77/85/65/619778565.db2.gz PBCDBRIQPWCAFZ-CZUORRHYSA-N 1 0 318.490 3.163 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000903450711 619779020 /nfs/dbraw/zinc/77/90/20/619779020.db2.gz LOWCOUXCONRDEC-WZRBSPASSA-N 1 0 311.809 3.428 20 10 DGCDRO C[C@@H](NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)c1ccccc1O ZINC000904604968 619936059 /nfs/dbraw/zinc/93/60/59/619936059.db2.gz OUCWZNCIQLGJKW-GFCCVEGCSA-N 1 0 313.401 3.469 20 10 DGCDRO CC[C@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000905034451 619965592 /nfs/dbraw/zinc/96/55/92/619965592.db2.gz KDHXOQLVJIWRIY-HNNXBMFYSA-N 1 0 316.367 3.080 20 10 DGCDRO Cc1cccc(NC(=S)NCc2cc(N(C)C)cc[nH+]2)c1C ZINC000905619550 620010904 /nfs/dbraw/zinc/01/09/04/620010904.db2.gz XGCVWPANPVXLPJ-UHFFFAOYSA-N 1 0 314.458 3.251 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2COC(C)(C)C)cc1OC ZINC000905725165 620022099 /nfs/dbraw/zinc/02/20/99/620022099.db2.gz PPXWTWCUSINFFP-CQSZACIVSA-N 1 0 323.433 3.189 20 10 DGCDRO COc1cc(C[N@@H+]2CCO[C@@H](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000905740813 620025006 /nfs/dbraw/zinc/02/50/06/620025006.db2.gz UVSULIPPFLRORZ-ZDUSSCGKSA-N 1 0 307.434 3.309 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCn4cccc4C3)c2c1 ZINC000905744404 620025553 /nfs/dbraw/zinc/02/55/53/620025553.db2.gz GUBTWBXUBNCOHJ-UHFFFAOYSA-N 1 0 308.381 3.371 20 10 DGCDRO C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)c1ccccc1O ZINC000913764024 620477908 /nfs/dbraw/zinc/47/79/08/620477908.db2.gz YIAIXOUCIAUWDG-CYBMUJFWSA-N 1 0 323.396 3.487 20 10 DGCDRO COCC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CC(C)C ZINC000914783519 620553846 /nfs/dbraw/zinc/55/38/46/620553846.db2.gz NFLIRZMKQOAMIN-UHFFFAOYSA-N 1 0 309.450 3.500 20 10 DGCDRO COc1cccc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)c1 ZINC000915803874 620598194 /nfs/dbraw/zinc/59/81/94/620598194.db2.gz LLYSFAWHVXXFAT-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)CC(=O)Nc2cccc(F)c2)cc1C ZINC000915825525 620599926 /nfs/dbraw/zinc/59/99/26/620599926.db2.gz ZWDNHALAGUJIJT-UHFFFAOYSA-N 1 0 316.376 3.219 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)ccc1N1CCCCC1 ZINC000852580914 620631201 /nfs/dbraw/zinc/63/12/01/620631201.db2.gz GDSHOUVDTGDHHH-RTBURBONSA-N 1 0 314.473 3.378 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)cc1C ZINC000788074019 620893066 /nfs/dbraw/zinc/89/30/66/620893066.db2.gz BIINATGQVJYPPZ-MRXNPFEDSA-N 1 0 301.434 3.272 20 10 DGCDRO c1cn(-c2ccccc2C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921591554 620911450 /nfs/dbraw/zinc/91/14/50/620911450.db2.gz WIZPTHMHRMDZSF-UHFFFAOYSA-N 1 0 319.408 3.487 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1F ZINC000921622696 620916939 /nfs/dbraw/zinc/91/69/39/620916939.db2.gz GMLWMWJVPNIRHB-ARFHVFGLSA-N 1 0 306.425 3.187 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccnn3C3CCC3)ccc21 ZINC000921626209 620917712 /nfs/dbraw/zinc/91/77/12/620917712.db2.gz ZSQRUCYWPVDYGT-UHFFFAOYSA-N 1 0 310.445 3.280 20 10 DGCDRO Cc1ccc2nc(C[NH2+]Cc3ccc4c(c3)CCCO4)cn2c1 ZINC000921688201 620934216 /nfs/dbraw/zinc/93/42/16/620934216.db2.gz SMTUTENZGPBMRU-UHFFFAOYSA-N 1 0 307.397 3.258 20 10 DGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921947561 620972177 /nfs/dbraw/zinc/97/21/77/620972177.db2.gz RLFLUIPGXOYHTP-CJNGLKHVSA-N 1 0 301.386 3.206 20 10 DGCDRO CSc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)ccn1 ZINC000921959684 620973219 /nfs/dbraw/zinc/97/32/19/620973219.db2.gz ISOPTEYRNMGKAH-UHFFFAOYSA-N 1 0 300.427 3.418 20 10 DGCDRO CC(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccnn1C ZINC000922044079 620983080 /nfs/dbraw/zinc/98/30/80/620983080.db2.gz HJZLOKHNDMOXCA-QGZVFWFLSA-N 1 0 313.445 3.275 20 10 DGCDRO FC(F)C(F)(F)COCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922060804 620984742 /nfs/dbraw/zinc/98/47/42/620984742.db2.gz IVWPKVGBWMKZCJ-UHFFFAOYSA-N 1 0 321.314 3.018 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nc2C)c1O ZINC000114217021 620992687 /nfs/dbraw/zinc/99/26/87/620992687.db2.gz QVBFWWSUVHGKJU-UHFFFAOYSA-N 1 0 323.396 3.185 20 10 DGCDRO Cn1ncc2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cc21 ZINC000922141338 620994411 /nfs/dbraw/zinc/99/44/11/620994411.db2.gz QCBQXRFUBQAKTF-UHFFFAOYSA-N 1 0 307.397 3.188 20 10 DGCDRO OCC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1F ZINC000922213209 621006418 /nfs/dbraw/zinc/00/64/18/621006418.db2.gz ZALJSBRDKRALFI-SFHVURJKSA-N 1 0 315.388 3.364 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)c1 ZINC000922213613 621006718 /nfs/dbraw/zinc/00/67/18/621006718.db2.gz PSNUEETWGRMNEK-GBJTYRQASA-N 1 0 305.418 3.257 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCO[C@H]2CCCCO2)cc1 ZINC000922231562 621010128 /nfs/dbraw/zinc/01/01/28/621010128.db2.gz OCXSZLAIDKNUFT-XZXOBPBMSA-N 1 0 318.461 3.289 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCO[C@@H]2CCCCO2)cc1 ZINC000922231557 621010221 /nfs/dbraw/zinc/01/02/21/621010221.db2.gz OCXSZLAIDKNUFT-SUOMESGTSA-N 1 0 318.461 3.289 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1C ZINC000922463516 621041533 /nfs/dbraw/zinc/04/15/33/621041533.db2.gz SWSVMFAWXVMDJY-OCCSQVGLSA-N 1 0 303.324 3.203 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c(O)c(C(C)(C)C)c1 ZINC000922515661 621049427 /nfs/dbraw/zinc/04/94/27/621049427.db2.gz YUNOXCKPCMCGBF-AEFFLSMTSA-N 1 0 319.445 3.355 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1C ZINC000922529458 621052630 /nfs/dbraw/zinc/05/26/30/621052630.db2.gz FOJLDABKLSPVGW-KESTWPANSA-N 1 0 311.425 3.186 20 10 DGCDRO CO[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCSC1 ZINC000922572859 621058934 /nfs/dbraw/zinc/05/89/34/621058934.db2.gz MBHHSWWENABNAO-SFHVURJKSA-N 1 0 320.502 3.289 20 10 DGCDRO COc1ccc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1C ZINC000922671604 621076542 /nfs/dbraw/zinc/07/65/42/621076542.db2.gz BMFMUYGPDMGVKC-LBPRGKRZSA-N 1 0 315.369 3.289 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000922700438 621085154 /nfs/dbraw/zinc/08/51/54/621085154.db2.gz MIPGABGWONUIKM-UHFFFAOYSA-N 1 0 318.442 3.416 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCSC3(CCC3)C1)OCO2 ZINC000922844227 621107503 /nfs/dbraw/zinc/10/75/03/621107503.db2.gz BYLXEUYAXIDIMW-GFCCVEGCSA-N 1 0 307.415 3.029 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2cnn(C)c2)C(C)C)c1 ZINC000922893411 621120672 /nfs/dbraw/zinc/12/06/72/621120672.db2.gz HELPDLYEGPDYGD-KRWDZBQOSA-N 1 0 303.406 3.011 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000922898984 621129154 /nfs/dbraw/zinc/12/91/54/621129154.db2.gz UXVGQSJXCUPGPQ-KDOFPFPSSA-N 1 0 305.418 3.086 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000922898986 621129236 /nfs/dbraw/zinc/12/92/36/621129236.db2.gz UXVGQSJXCUPGPQ-RDTXWAMCSA-N 1 0 305.418 3.086 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@]34C[C@H]3CCC4)CC2)cc1 ZINC000922963294 621140529 /nfs/dbraw/zinc/14/05/29/621140529.db2.gz QPPHDPJWYNPIBW-BEFAXECRSA-N 1 0 300.446 3.444 20 10 DGCDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC000858010831 621144153 /nfs/dbraw/zinc/14/41/53/621144153.db2.gz GYRAUDIOFYSEJL-CYBMUJFWSA-N 1 0 318.804 3.402 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc3c(c2)OCO3)cc1F ZINC000858086251 621151099 /nfs/dbraw/zinc/15/10/99/621151099.db2.gz DYMJAIGNCCVRAZ-UHFFFAOYSA-N 1 0 320.339 3.049 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000858187369 621162960 /nfs/dbraw/zinc/16/29/60/621162960.db2.gz TXSHRAYYRZDCNO-MDUILUSMSA-N 1 0 300.446 3.298 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CC[C@H]1CCCOC1 ZINC000858207724 621164841 /nfs/dbraw/zinc/16/48/41/621164841.db2.gz VDZMNCRDWGXRML-LLVKDONJSA-N 1 0 314.223 3.061 20 10 DGCDRO COc1cc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c(O)c(C(C)(C)C)c1 ZINC000858229634 621166323 /nfs/dbraw/zinc/16/63/23/621166323.db2.gz FCCXFEWLBLJWLT-YJYMSZOUSA-N 1 0 319.445 3.355 20 10 DGCDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000858251333 621168873 /nfs/dbraw/zinc/16/88/73/621168873.db2.gz VHNVOYJDFOXXER-UHFFFAOYSA-N 1 0 312.413 3.282 20 10 DGCDRO Fc1cc(C[NH2+]CC[C@@H]2CC=CCC2)ccc1N1CCOCC1 ZINC000858272547 621170847 /nfs/dbraw/zinc/17/08/47/621170847.db2.gz UQVZXHGHLOEBAZ-MRXNPFEDSA-N 1 0 318.436 3.498 20 10 DGCDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000858270931 621170947 /nfs/dbraw/zinc/17/09/47/621170947.db2.gz QXLGDPIKCKPEEA-UHFFFAOYSA-N 1 0 301.333 3.282 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000858297137 621172786 /nfs/dbraw/zinc/17/27/86/621172786.db2.gz BEYQVJAXRKUKCF-PBHICJAKSA-N 1 0 319.445 3.355 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)c1 ZINC000858452793 621192874 /nfs/dbraw/zinc/19/28/74/621192874.db2.gz OBCCAZNGXOHJCU-SNVBAGLBSA-N 1 0 313.323 3.304 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)c1O ZINC000858464171 621194411 /nfs/dbraw/zinc/19/44/11/621194411.db2.gz ILCFFLXMAUIIMK-ZBFHGGJFSA-N 1 0 318.461 3.458 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000858505486 621199283 /nfs/dbraw/zinc/19/92/83/621199283.db2.gz LCORRNSTACVUME-SCDSUCTJSA-N 1 0 319.376 3.321 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000858527487 621201960 /nfs/dbraw/zinc/20/19/60/621201960.db2.gz HRNYCEWFGBQXBK-IFXJQAMLSA-N 1 0 323.440 3.357 20 10 DGCDRO Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c(O)c1O ZINC000838279581 621234457 /nfs/dbraw/zinc/23/44/57/621234457.db2.gz KIBHFROOVSOJAY-UHFFFAOYSA-N 1 0 314.385 3.029 20 10 DGCDRO Cc1cc(CC[NH2+]Cc2cnccn2)c(C)n1-c1ccccc1 ZINC000838894683 621300366 /nfs/dbraw/zinc/30/03/66/621300366.db2.gz IRCCXUHQAYBYNQ-UHFFFAOYSA-N 1 0 306.413 3.216 20 10 DGCDRO C[C@H](CC1CCC1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146099 621332766 /nfs/dbraw/zinc/33/27/66/621332766.db2.gz WKRIYEYBZDQUCL-CYBMUJFWSA-N 1 0 324.415 3.470 20 10 DGCDRO Fc1cc(C[NH2+]C2CCCCC2)cc(F)c1N1CCOCC1 ZINC000839146609 621332803 /nfs/dbraw/zinc/33/28/03/621332803.db2.gz OEHWIJHRABSRKR-UHFFFAOYSA-N 1 0 310.388 3.224 20 10 DGCDRO OCC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCSCC1 ZINC000839178021 621343341 /nfs/dbraw/zinc/34/33/41/621343341.db2.gz YEEKPXFKKHOWRH-UHFFFAOYSA-N 1 0 320.502 3.025 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c1O ZINC000839182839 621343970 /nfs/dbraw/zinc/34/39/70/621343970.db2.gz QILNZRSRYKPBPO-KBPBESRZSA-N 1 0 311.809 3.101 20 10 DGCDRO COc1cccc(CNc2ccc(C[NH+](C)C)c(C)c2)c1O ZINC000839188377 621345902 /nfs/dbraw/zinc/34/59/02/621345902.db2.gz GACFPKFCQASEOX-UHFFFAOYSA-N 1 0 300.402 3.383 20 10 DGCDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000839192856 621347381 /nfs/dbraw/zinc/34/73/81/621347381.db2.gz UGVPZEUYHGBOPR-OLZOCXBDSA-N 1 0 314.223 3.120 20 10 DGCDRO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839193935 621347581 /nfs/dbraw/zinc/34/75/81/621347581.db2.gz ZRWACEWBZADLJR-SUMWQHHRSA-N 1 0 309.837 3.419 20 10 DGCDRO C[N@H+](CCC1(O)CCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000839459662 621378819 /nfs/dbraw/zinc/37/88/19/621378819.db2.gz PRYZTTWVTULKEV-UHFFFAOYSA-N 1 0 302.462 3.414 20 10 DGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000117393078 621392633 /nfs/dbraw/zinc/39/26/33/621392633.db2.gz RIAWEWAMTIBCQQ-FUHWJXTLSA-N 1 0 320.502 3.287 20 10 DGCDRO COC(=O)CCC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000753173242 621429664 /nfs/dbraw/zinc/42/96/64/621429664.db2.gz XEZYBLLEDUULIY-UHFFFAOYSA-N 1 0 317.429 3.046 20 10 DGCDRO CC[N@H+](CCCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000753544853 621447324 /nfs/dbraw/zinc/44/73/24/621447324.db2.gz QJNUSYBCADNRSL-UHFFFAOYSA-N 1 0 315.413 3.176 20 10 DGCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000753588990 621451841 /nfs/dbraw/zinc/45/18/41/621451841.db2.gz HDNVJXCZDXMJQW-QGZVFWFLSA-N 1 0 302.462 3.391 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000753589603 621452302 /nfs/dbraw/zinc/45/23/02/621452302.db2.gz KFQXQKVDLPTODP-HNNXBMFYSA-N 1 0 317.360 3.193 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCOCC3)C1)CCC2 ZINC000754786433 621532554 /nfs/dbraw/zinc/53/25/54/621532554.db2.gz UYSDCPMGYNBNAP-QGZVFWFLSA-N 1 0 301.430 3.129 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000118783723 621560617 /nfs/dbraw/zinc/56/06/17/621560617.db2.gz DFWOXNOCEJWDML-MRXNPFEDSA-N 1 0 318.461 3.395 20 10 DGCDRO CCC[N@H+](Cc1c(O)cccc1Br)CC(C)(C)O ZINC000862239092 621565317 /nfs/dbraw/zinc/56/53/17/621565317.db2.gz VCFSMNQRTDAHTH-UHFFFAOYSA-N 1 0 316.239 3.138 20 10 DGCDRO CN(C)c1cc(F)c(C[NH+]2CCC(CCCO)CC2)cc1F ZINC000862310791 621573584 /nfs/dbraw/zinc/57/35/84/621573584.db2.gz FVZIZDZYZTZEFN-UHFFFAOYSA-N 1 0 312.404 3.015 20 10 DGCDRO CN(Cc1ccncc1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000862326131 621574147 /nfs/dbraw/zinc/57/41/47/621574147.db2.gz JMCLLECTGUMIEZ-UHFFFAOYSA-N 1 0 319.836 3.312 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)CCc2ccccn2)cc1F ZINC000862322510 621574332 /nfs/dbraw/zinc/57/43/32/621574332.db2.gz MNRHOGXTYHVKTA-UHFFFAOYSA-N 1 0 305.372 3.100 20 10 DGCDRO C[C@H]1CCSCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862343447 621575786 /nfs/dbraw/zinc/57/57/86/621575786.db2.gz NVZXPYREQGTBBX-JTQLQIEISA-N 1 0 316.264 3.482 20 10 DGCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862351268 621576546 /nfs/dbraw/zinc/57/65/46/621576546.db2.gz IMFUKWUTISDDPL-JSGCOSHPSA-N 1 0 312.404 3.156 20 10 DGCDRO CCOC1(C)CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862376348 621581492 /nfs/dbraw/zinc/58/14/92/621581492.db2.gz WZXFHEYEMZMMCC-UHFFFAOYSA-N 1 0 312.404 3.422 20 10 DGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCS1 ZINC000862417941 621587668 /nfs/dbraw/zinc/58/76/68/621587668.db2.gz IZOGAUHSRWFXBQ-GOSISDBHSA-N 1 0 320.502 3.023 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCN2CC(F)F)cc1Cl ZINC000862468283 621592894 /nfs/dbraw/zinc/59/28/94/621592894.db2.gz FCXSGJRXBBHDHR-LBPRGKRZSA-N 1 0 318.795 3.173 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862483605 621593966 /nfs/dbraw/zinc/59/39/66/621593966.db2.gz VGRCYZSFTILKAB-SFHVURJKSA-N 1 0 301.361 3.015 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000862488689 621595080 /nfs/dbraw/zinc/59/50/80/621595080.db2.gz OEQOWDBRBAFVGP-AWEZNQCLSA-N 1 0 309.793 3.096 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCc3cc(F)ccc3C2)c1O ZINC000119071944 621613295 /nfs/dbraw/zinc/61/32/95/621613295.db2.gz GSSIKZGCHFGIGW-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCCCC1 ZINC000756132561 621617310 /nfs/dbraw/zinc/61/73/10/621617310.db2.gz QLQKKLDPHIIUAW-UHFFFAOYSA-N 1 0 322.424 3.247 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1O ZINC000756138073 621617927 /nfs/dbraw/zinc/61/79/27/621617927.db2.gz NQKICHXSPIQLTH-UHFFFAOYSA-N 1 0 304.777 3.013 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c(O)c1C ZINC000756355675 621630459 /nfs/dbraw/zinc/63/04/59/621630459.db2.gz QSJMBVNHCZRHFQ-DLBZAZTESA-N 1 0 320.477 3.016 20 10 DGCDRO COc1ccccc1OCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756374204 621632632 /nfs/dbraw/zinc/63/26/32/621632632.db2.gz YWAAHVPSUXUJJW-LBPRGKRZSA-N 1 0 305.349 3.270 20 10 DGCDRO Cc1nn(C)c(C)c1CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756378451 621632950 /nfs/dbraw/zinc/63/29/50/621632950.db2.gz DTIYFVQZWKAVLV-BONVTDFDSA-N 1 0 317.408 3.262 20 10 DGCDRO COc1ncccc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756394781 621635005 /nfs/dbraw/zinc/63/50/05/621635005.db2.gz YEUODJXHRMOPIF-MFKMUULPSA-N 1 0 302.349 3.273 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCCCC1)c1cc2c(cc1O)CCCC2 ZINC000756396855 621635268 /nfs/dbraw/zinc/63/52/68/621635268.db2.gz LTYODJDPYBXVSI-OAHLLOKOSA-N 1 0 302.462 3.408 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)ccn1 ZINC000756402765 621635589 /nfs/dbraw/zinc/63/55/89/621635589.db2.gz YKGBQBNQSJKSHG-GXFFZTMASA-N 1 0 302.349 3.273 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccnc2N(C)C)c2c1c(F)ccc2O ZINC000756411425 621636405 /nfs/dbraw/zinc/63/64/05/621636405.db2.gz PWYABHGDRARBPF-FZMZJTMJSA-N 1 0 315.392 3.330 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2C[C@H](C)C[C@@H](C)C2)c1 ZINC000756415901 621636855 /nfs/dbraw/zinc/63/68/55/621636855.db2.gz MDOQGGONRNWQJM-KFWWJZLASA-N 1 0 306.450 3.029 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCN2CCC[C@@H](C)C2)c2c1c(F)ccc2O ZINC000756414862 621636912 /nfs/dbraw/zinc/63/69/12/621636912.db2.gz JFBOKUICXUDPBP-IPYPFGDCSA-N 1 0 306.425 3.401 20 10 DGCDRO Cc1nccn1CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756434011 621638363 /nfs/dbraw/zinc/63/83/63/621638363.db2.gz SWALXXVXFWHSDJ-FZMZJTMJSA-N 1 0 303.381 3.264 20 10 DGCDRO CCN(CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000756527261 621644907 /nfs/dbraw/zinc/64/49/07/621644907.db2.gz XOUUZNGBMYHILL-AWEZNQCLSA-N 1 0 302.462 3.406 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000756545702 621646412 /nfs/dbraw/zinc/64/64/12/621646412.db2.gz ODKXZXFIAFFLHA-CZUORRHYSA-N 1 0 300.446 3.158 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)c2c1c(F)ccc2O ZINC000756554295 621647684 /nfs/dbraw/zinc/64/76/84/621647684.db2.gz ORSBCTBJVGACRU-ZLDLUXBVSA-N 1 0 304.409 3.154 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)c2c1c(F)ccc2O ZINC000756554290 621647899 /nfs/dbraw/zinc/64/78/99/621647899.db2.gz ORSBCTBJVGACRU-OSAQELSMSA-N 1 0 304.409 3.154 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c2c1c(F)ccc2O ZINC000756606023 621652099 /nfs/dbraw/zinc/65/20/99/621652099.db2.gz KPZAEMYEKBGOKA-GVNHHAEMSA-N 1 0 305.393 3.483 20 10 DGCDRO CCc1nncn1CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000756622755 621653247 /nfs/dbraw/zinc/65/32/47/621653247.db2.gz YCRXLLFCVBDHPL-ZDUSSCGKSA-N 1 0 310.401 3.050 20 10 DGCDRO Cc1cccn2cc(CC[NH2+][C@@H](C)c3cc(F)ccc3O)nc12 ZINC000756626793 621653724 /nfs/dbraw/zinc/65/37/24/621653724.db2.gz CJWYYIAZSHPYRT-ZDUSSCGKSA-N 1 0 313.376 3.381 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2csc(N(C)C)n2)c2c1c(F)ccc2O ZINC000756635782 621654664 /nfs/dbraw/zinc/65/46/64/621654664.db2.gz HMQDFHHSVZEJJO-BXKDBHETSA-N 1 0 321.421 3.392 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000756634595 621654771 /nfs/dbraw/zinc/65/47/71/621654771.db2.gz AZUIFRGJPKRFOL-ZBFHGGJFSA-N 1 0 315.413 3.309 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000756634594 621654778 /nfs/dbraw/zinc/65/47/78/621654778.db2.gz AZUIFRGJPKRFOL-HOCLYGCPSA-N 1 0 315.413 3.309 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)c(O)c1C ZINC000756660717 621656996 /nfs/dbraw/zinc/65/69/96/621656996.db2.gz ORAUSAWRCQRFOA-CABCVRRESA-N 1 0 303.402 3.104 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccc2ccccc2c1O ZINC000756703573 621659209 /nfs/dbraw/zinc/65/92/09/621659209.db2.gz ADQRWTZKDGVFPP-CYBMUJFWSA-N 1 0 312.413 3.255 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1cc(F)ccc1O ZINC000756712038 621659509 /nfs/dbraw/zinc/65/95/09/621659509.db2.gz PDXRXTFFAZHRRL-GDZNZVCISA-N 1 0 303.377 3.347 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756711043 621659856 /nfs/dbraw/zinc/65/98/56/621659856.db2.gz HRDVXVAEHVTGLC-CJNGLKHVSA-N 1 0 301.386 3.093 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c1 ZINC000756738074 621661854 /nfs/dbraw/zinc/66/18/54/621661854.db2.gz JCUCDIWWJHVAPU-BDJLRTHQSA-N 1 0 307.340 3.363 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H](CCF)C3)c2c1 ZINC000863318198 621663032 /nfs/dbraw/zinc/66/30/32/621663032.db2.gz UMGYROIYLBURMH-OAHLLOKOSA-N 1 0 319.376 3.114 20 10 DGCDRO CO[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(F)(F)F ZINC000756835478 621667033 /nfs/dbraw/zinc/66/70/33/621667033.db2.gz MTYWDSQPRBUXOH-POZPLHJXSA-N 1 0 307.287 3.247 20 10 DGCDRO CNc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000863482226 621677408 /nfs/dbraw/zinc/67/74/08/621677408.db2.gz WOERILPGHIOPRZ-UHFFFAOYSA-N 1 0 310.445 3.092 20 10 DGCDRO O[C@H](CNc1ccc(Nc2ccccc2)cc1)C[NH+]1CCCC1 ZINC000863558326 621683596 /nfs/dbraw/zinc/68/35/96/621683596.db2.gz ZHZHXOMMUSLXCG-LJQANCHMSA-N 1 0 311.429 3.299 20 10 DGCDRO [NH3+]C[C@@H]1CN(Cc2c(O)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000863646293 621693218 /nfs/dbraw/zinc/69/32/18/621693218.db2.gz ISGYFGSFMYOJON-MWLCHTKSSA-N 1 0 322.758 3.005 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000839562906 621697252 /nfs/dbraw/zinc/69/72/52/621697252.db2.gz FMIAGCKEWGVREQ-AUUYWEPGSA-N 1 0 323.440 3.357 20 10 DGCDRO C[C@H]([NH2+]C1COC(C)(C)OC1)c1ccc(N2CCCCC2)cc1 ZINC000757705541 621734859 /nfs/dbraw/zinc/73/48/59/621734859.db2.gz OJJOCWXSXIUCLJ-HNNXBMFYSA-N 1 0 318.461 3.479 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000758553769 621788910 /nfs/dbraw/zinc/78/89/10/621788910.db2.gz KGHWHWCNRDRTMW-UHFFFAOYSA-N 1 0 323.396 3.091 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759852589 621897372 /nfs/dbraw/zinc/89/73/72/621897372.db2.gz OWZPEAPXGDKSHX-INIZCTEOSA-N 1 0 309.768 3.350 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccccc1O ZINC000760040454 621912337 /nfs/dbraw/zinc/91/23/37/621912337.db2.gz KHYRGGQCVNAZLB-IXDGSTSKSA-N 1 0 315.388 3.348 20 10 DGCDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000789587534 625530134 /nfs/dbraw/zinc/53/01/34/625530134.db2.gz YOYKHIJIIGMRQA-IXDOHACOSA-N 1 0 302.462 3.390 20 10 DGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000760886930 621971626 /nfs/dbraw/zinc/97/16/26/621971626.db2.gz OZHBLXJQCHXTLI-DOPJRALCSA-N 1 0 315.413 3.390 20 10 DGCDRO Fc1cc(C[NH2+][C@]23C[C@H]2CCCC3)ccc1N1CCOCC1 ZINC000865704555 621980897 /nfs/dbraw/zinc/98/08/97/621980897.db2.gz VNTMUWHKGJJLOJ-CRAIPNDOSA-N 1 0 304.409 3.085 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1F ZINC000865761243 621990471 /nfs/dbraw/zinc/99/04/71/621990471.db2.gz CPUYLNVPVMBZIO-YJBOKZPZSA-N 1 0 306.425 3.187 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000865762109 621990478 /nfs/dbraw/zinc/99/04/78/621990478.db2.gz LOYOUPYKIRHCIA-KDOFPFPSSA-N 1 0 305.418 3.086 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1F ZINC000865761240 621990732 /nfs/dbraw/zinc/99/07/32/621990732.db2.gz CPUYLNVPVMBZIO-CRAIPNDOSA-N 1 0 306.425 3.187 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC23CCOCC3)c1 ZINC000865779590 621994007 /nfs/dbraw/zinc/99/40/07/621994007.db2.gz YPZDGLIMSHWADP-OAHLLOKOSA-N 1 0 305.418 3.087 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000865783692 621994918 /nfs/dbraw/zinc/99/49/18/621994918.db2.gz SCNDSYISRJLYSK-IIMWHKGRSA-N 1 0 314.473 3.418 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000865787012 621995412 /nfs/dbraw/zinc/99/54/12/621995412.db2.gz YDNZRFVWBFYYSK-UHFFFAOYSA-N 1 0 316.357 3.297 20 10 DGCDRO C/C=C(\C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761980983 622043292 /nfs/dbraw/zinc/04/32/92/622043292.db2.gz LTFLWNMWOCKMSX-COHQTCMYSA-N 1 0 322.836 3.092 20 10 DGCDRO OC[C@H]1C[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000866416451 622114191 /nfs/dbraw/zinc/11/41/91/622114191.db2.gz WLHZELPKWCVODX-SCTDSRPQSA-N 1 0 311.425 3.427 20 10 DGCDRO OC[C@H]1C[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000866416452 622114339 /nfs/dbraw/zinc/11/43/39/622114339.db2.gz WLHZELPKWCVODX-ZIFCJYIRSA-N 1 0 311.425 3.427 20 10 DGCDRO C[C@@H]1[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCOC1(C)C ZINC000763209998 622130608 /nfs/dbraw/zinc/13/06/08/622130608.db2.gz FSNZQSQDXVYJCZ-LBPRGKRZSA-N 1 0 307.434 3.395 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000763453373 622146110 /nfs/dbraw/zinc/14/61/10/622146110.db2.gz RLOGVCJDRKHPLY-HKUYNNGSSA-N 1 0 315.388 3.096 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nccc32)c2c1c(F)ccc2O ZINC000866634497 622150727 /nfs/dbraw/zinc/15/07/27/622150727.db2.gz ROYHNIAZFLXLCE-KGYLQXTDSA-N 1 0 301.365 3.401 20 10 DGCDRO C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1O ZINC000868264758 622229438 /nfs/dbraw/zinc/22/94/38/622229438.db2.gz UWPTUKVJPCMXJE-CZUORRHYSA-N 1 0 321.465 3.119 20 10 DGCDRO CCN(C)c1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000764966010 622236543 /nfs/dbraw/zinc/23/65/43/622236543.db2.gz WXRFIIRMTLKWMR-SNRMKQJTSA-N 1 0 301.478 3.420 20 10 DGCDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000765077272 622244112 /nfs/dbraw/zinc/24/41/12/622244112.db2.gz BOCXQBVHBQWQBA-QGZVFWFLSA-N 1 0 322.518 3.391 20 10 DGCDRO CC[C@H]([NH2+]CCCn1ccnc1C)c1ccc(N(C)C)cc1 ZINC000765140854 622248941 /nfs/dbraw/zinc/24/89/41/622248941.db2.gz HDVJXBKCTHRBPS-SFHVURJKSA-N 1 0 300.450 3.389 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCCn2ccnc2)cc1 ZINC000765257084 622254388 /nfs/dbraw/zinc/25/43/88/622254388.db2.gz HZBILNKMZOLRJJ-MRXNPFEDSA-N 1 0 300.450 3.470 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765337794 622260266 /nfs/dbraw/zinc/26/02/66/622260266.db2.gz USHYQCCZQLIYQO-HZSPNIEDSA-N 1 0 308.853 3.483 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3ccoc3C)CC2)cc1 ZINC000765395157 622263001 /nfs/dbraw/zinc/26/30/01/622263001.db2.gz DZSDKQYJQUGLTR-UHFFFAOYSA-N 1 0 300.402 3.355 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000765632348 622278409 /nfs/dbraw/zinc/27/84/09/622278409.db2.gz ZRJJBWJAADKNDY-WBVHZDCISA-N 1 0 319.449 3.024 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765765017 622285817 /nfs/dbraw/zinc/28/58/17/622285817.db2.gz BWDSYVXHLVHPFM-GOEBONIOSA-N 1 0 305.441 3.171 20 10 DGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)N(C)C ZINC000765776976 622286209 /nfs/dbraw/zinc/28/62/09/622286209.db2.gz XZFYCNKPWWERSI-HUUCEWRRSA-N 1 0 307.457 3.417 20 10 DGCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000765794503 622287708 /nfs/dbraw/zinc/28/77/08/622287708.db2.gz CTLACDVCANISMH-QZTJIDSGSA-N 1 0 324.424 3.064 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765834809 622290412 /nfs/dbraw/zinc/29/04/12/622290412.db2.gz HTKGCIFPXDUGMX-KGLIPLIRSA-N 1 0 324.852 3.006 20 10 DGCDRO CC[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000765925925 622294662 /nfs/dbraw/zinc/29/46/62/622294662.db2.gz GMFMRUVKEJTOHY-HNNXBMFYSA-N 1 0 317.399 3.287 20 10 DGCDRO CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765946436 622295708 /nfs/dbraw/zinc/29/57/08/622295708.db2.gz RDZBUQFRGQNUED-AOMKIAJQSA-N 1 0 322.518 3.486 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1 ZINC000766090538 622305077 /nfs/dbraw/zinc/30/50/77/622305077.db2.gz VIMNBYAPDZRDIG-IRXDYDNUSA-N 1 0 307.434 3.473 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C[C@H]3CCOC3)CC2)cc1 ZINC000766583248 622340286 /nfs/dbraw/zinc/34/02/86/622340286.db2.gz RYHUVCCYLMUPHV-JKSUJKDBSA-N 1 0 318.461 3.069 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000129209967 625559147 /nfs/dbraw/zinc/55/91/47/625559147.db2.gz OHDGHQDPSOXACX-KRWDZBQOSA-N 1 0 319.468 3.342 20 10 DGCDRO CCOC(C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)OCC ZINC000767759845 622420796 /nfs/dbraw/zinc/42/07/96/622420796.db2.gz VIQPODANCCIBKE-UHFFFAOYSA-N 1 0 308.466 3.362 20 10 DGCDRO COCC[N@H+](Cc1cccs1)Cc1cccc(OC)c1O ZINC000768197600 622444737 /nfs/dbraw/zinc/44/47/37/622444737.db2.gz KYYPIZAGNSNCJP-UHFFFAOYSA-N 1 0 307.415 3.111 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000768232117 622446635 /nfs/dbraw/zinc/44/66/35/622446635.db2.gz YDYNPANDMUOBQV-KRWDZBQOSA-N 1 0 311.381 3.197 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccsc1)[C@H](O)CO2 ZINC000768439701 622456140 /nfs/dbraw/zinc/45/61/40/622456140.db2.gz MRXKUCYNPBEAKL-GDBMZVCRSA-N 1 0 317.410 3.217 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CC=CCC3)C1)[C@H](O)CO2 ZINC000768445667 622456931 /nfs/dbraw/zinc/45/69/31/622456931.db2.gz GKKVGTDVYQQPGM-IEBWSBKVSA-N 1 0 315.413 3.140 20 10 DGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(C)cc2O)C12CCC2 ZINC000768461931 622457649 /nfs/dbraw/zinc/45/76/49/622457649.db2.gz HQVFRXNYLMAXRV-QZTJIDSGSA-N 1 0 319.445 3.489 20 10 DGCDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464131 622458191 /nfs/dbraw/zinc/45/81/91/622458191.db2.gz ZYSOYWKFQHXDMQ-YLQAJVPDSA-N 1 0 305.418 3.219 20 10 DGCDRO CC(C)C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768463347 622458227 /nfs/dbraw/zinc/45/82/27/622458227.db2.gz HJJUMHVQEPPADC-CXAGYDPISA-N 1 0 305.418 3.076 20 10 DGCDRO CCC[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466504 622458713 /nfs/dbraw/zinc/45/87/13/622458713.db2.gz QWYRYNFBRUWEIA-AEFFLSMTSA-N 1 0 305.418 3.220 20 10 DGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466162 622458745 /nfs/dbraw/zinc/45/87/45/622458745.db2.gz NFANFDQTZVUFBO-GOSISDBHSA-N 1 0 302.462 3.187 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H](CCOC)C2)c(O)c1 ZINC000768542789 622463988 /nfs/dbraw/zinc/46/39/88/622463988.db2.gz ZHEOYOJFZVRYCX-HNNXBMFYSA-N 1 0 307.434 3.430 20 10 DGCDRO COCC[N@H+](CCc1ccccc1)Cc1cccc(OC)c1O ZINC000768587439 622466057 /nfs/dbraw/zinc/46/60/57/622466057.db2.gz XARVEVGFURDBQW-UHFFFAOYSA-N 1 0 315.413 3.092 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)cc1 ZINC000768841644 622480131 /nfs/dbraw/zinc/48/01/31/622480131.db2.gz MHYXOCNXVITZTC-CVEARBPZSA-N 1 0 316.445 3.238 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1CC1 ZINC000768914900 622484674 /nfs/dbraw/zinc/48/46/74/622484674.db2.gz JMDHEXUXYKWJHE-UHFFFAOYSA-N 1 0 303.406 3.427 20 10 DGCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000768940077 622487118 /nfs/dbraw/zinc/48/71/18/622487118.db2.gz GKQQMSJTNGIZCT-LBPRGKRZSA-N 1 0 305.809 3.159 20 10 DGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000769240836 622510359 /nfs/dbraw/zinc/51/03/59/622510359.db2.gz SBORYAPWIJFZLD-LLVKDONJSA-N 1 0 307.781 3.117 20 10 DGCDRO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000769326404 622518251 /nfs/dbraw/zinc/51/82/51/622518251.db2.gz LLXVBWJTYVCFMN-KRWDZBQOSA-N 1 0 319.468 3.340 20 10 DGCDRO CCOc1ccc(C[N@H+](C)CCc2ccccc2OC)c(O)c1 ZINC000769333255 622518500 /nfs/dbraw/zinc/51/85/00/622518500.db2.gz IKEULQHNNOPBEO-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO CCc1cnc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)s1 ZINC000769403372 622525281 /nfs/dbraw/zinc/52/52/81/622525281.db2.gz GRDYGWMZXWPJPG-UHFFFAOYSA-N 1 0 317.458 3.042 20 10 DGCDRO C[C@@H](NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccccc1O ZINC000870988403 622531492 /nfs/dbraw/zinc/53/14/92/622531492.db2.gz OQRXMJWEWALXLT-CZUORRHYSA-N 1 0 324.424 3.262 20 10 DGCDRO CCOc1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c(O)c1 ZINC000769479951 622532461 /nfs/dbraw/zinc/53/24/61/622532461.db2.gz KYQWKCWZLORUCR-UHFFFAOYSA-N 1 0 323.396 3.267 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000770374991 622627291 /nfs/dbraw/zinc/62/72/91/622627291.db2.gz PMYCBBQNBZIEDN-HZPDHXFCSA-N 1 0 306.425 3.140 20 10 DGCDRO Cc1cc(C[N@H+](C)CCc2cnccn2)c(O)c(C(C)(C)C)c1 ZINC000770661980 622657874 /nfs/dbraw/zinc/65/78/74/622657874.db2.gz NZDNYBDXJNATGI-UHFFFAOYSA-N 1 0 313.445 3.463 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCOc2ccccc2)cc1F ZINC000771928535 622818692 /nfs/dbraw/zinc/81/86/92/622818692.db2.gz ICZBPCXWZQETTB-UHFFFAOYSA-N 1 0 302.393 3.403 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2oc(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000872123656 622821132 /nfs/dbraw/zinc/82/11/32/622821132.db2.gz SVQYBNJBUUTODE-LBPRGKRZSA-N 1 0 311.385 3.450 20 10 DGCDRO CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000872252090 622867766 /nfs/dbraw/zinc/86/77/66/622867766.db2.gz OWQVUZCCGPFDHS-GFCCVEGCSA-N 1 0 300.805 3.053 20 10 DGCDRO COCCN(Cc1ccco1)Cc1ccc(N(C)C)c(F)c1 ZINC000124070187 622898992 /nfs/dbraw/zinc/89/89/92/622898992.db2.gz WTUADQWGYNJKSN-UHFFFAOYSA-N 1 0 306.381 3.133 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3CC4(CCC4)C3)cc2F)CC1 ZINC000772875149 622949870 /nfs/dbraw/zinc/94/98/70/622949870.db2.gz KMMGTOWMFSXTNA-UHFFFAOYSA-N 1 0 318.436 3.209 20 10 DGCDRO CCC1([NH+](C)C)CCN(Cc2cc(OC)c(C)cc2O)CC1 ZINC000872670473 622950813 /nfs/dbraw/zinc/95/08/13/622950813.db2.gz DSSWDSASHDGNKP-UHFFFAOYSA-N 1 0 306.450 3.015 20 10 DGCDRO OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc2ccncc21 ZINC000872757896 622970715 /nfs/dbraw/zinc/97/07/15/622970715.db2.gz JDCGJSKCHYJCKI-VHRNVKJDSA-N 1 0 312.413 3.066 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773105579 622985139 /nfs/dbraw/zinc/98/51/39/622985139.db2.gz HWXYOTQFKKWLIE-OCCSQVGLSA-N 1 0 304.356 3.107 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCCc2nc(C)no2)cc1C ZINC000873047324 623024438 /nfs/dbraw/zinc/02/44/38/623024438.db2.gz XUTUQRXAGDFRLP-UHFFFAOYSA-N 1 0 303.406 3.198 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2nccnc2c1 ZINC000873052040 623026397 /nfs/dbraw/zinc/02/63/97/623026397.db2.gz KCJTUTITIUZIRQ-UHFFFAOYSA-N 1 0 306.413 3.294 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)cc1Cn1cccn1 ZINC000873080599 623032966 /nfs/dbraw/zinc/03/29/66/623032966.db2.gz QRAIQSZMNIBMHB-OAHLLOKOSA-N 1 0 321.371 3.217 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1C ZINC000873100428 623035660 /nfs/dbraw/zinc/03/56/60/623035660.db2.gz UCBCFJZJUMRGRC-IEBWSBKVSA-N 1 0 319.445 3.212 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCOC[C@@H]2OCC)cc1C ZINC000873103545 623036469 /nfs/dbraw/zinc/03/64/69/623036469.db2.gz FVYYUIYYYKLAKU-WMZOPIPTSA-N 1 0 307.434 3.067 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)ccc1OC ZINC000873156213 623054772 /nfs/dbraw/zinc/05/47/72/623054772.db2.gz JUHHRADNBHXKJT-AYBZRNKSSA-N 1 0 319.445 3.279 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)cc1 ZINC000773758800 623068289 /nfs/dbraw/zinc/06/82/89/623068289.db2.gz UJLVUSBBRQKFCQ-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)CCCn2ccnc2C)cc1 ZINC000773809627 623074436 /nfs/dbraw/zinc/07/44/36/623074436.db2.gz STCTYDPHWYGBIF-UHFFFAOYSA-N 1 0 300.450 3.170 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000873259001 623094349 /nfs/dbraw/zinc/09/43/49/623094349.db2.gz XKNITHVNWTYBON-ZDSQKVDBSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCCCC1 ZINC000774484977 623151269 /nfs/dbraw/zinc/15/12/69/623151269.db2.gz UGSJXXFSQJTSKU-GJZGRUSLSA-N 1 0 317.477 3.241 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000774484976 623151330 /nfs/dbraw/zinc/15/13/30/623151330.db2.gz UGSJXXFSQJTSKU-CABCVRRESA-N 1 0 317.477 3.241 20 10 DGCDRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774482086 623151348 /nfs/dbraw/zinc/15/13/48/623151348.db2.gz FOPLVHYOOLXXOX-ZIAGYGMSSA-N 1 0 305.466 3.097 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCOCC3(CCCC3)C2)c1O ZINC000774655014 623171640 /nfs/dbraw/zinc/17/16/40/623171640.db2.gz IIIAZIVMMNFLCS-UHFFFAOYSA-N 1 0 305.418 3.102 20 10 DGCDRO CC[N@H+](CCC(F)(F)F)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774871277 623203324 /nfs/dbraw/zinc/20/33/24/623203324.db2.gz XYIRKLIGNOSQOU-UHFFFAOYSA-N 1 0 322.283 3.083 20 10 DGCDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775190226 623239929 /nfs/dbraw/zinc/23/99/29/623239929.db2.gz NXQJKPFWKDJBSJ-NSHDSACASA-N 1 0 323.799 3.298 20 10 DGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000775199742 623241262 /nfs/dbraw/zinc/24/12/62/623241262.db2.gz GCBZIPHJYUCAAO-SFHVURJKSA-N 1 0 305.418 3.112 20 10 DGCDRO C[C@H]([NH2+]CCCCCCCO)c1ccc(N2CCOCC2)cc1 ZINC000775262351 623247647 /nfs/dbraw/zinc/24/76/47/623247647.db2.gz ZYDOTYCHLOCJEX-KRWDZBQOSA-N 1 0 320.477 3.117 20 10 DGCDRO C[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccc(N(C)C)cc1 ZINC000775361693 623259753 /nfs/dbraw/zinc/25/97/53/623259753.db2.gz DNNRUVVCEFUSJF-CYBMUJFWSA-N 1 0 312.392 3.390 20 10 DGCDRO C[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(N(C)C)cc1 ZINC000775365155 623260685 /nfs/dbraw/zinc/26/06/85/623260685.db2.gz VCCXEIRYYIWFFY-CQSZACIVSA-N 1 0 308.429 3.490 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c(O)c1 ZINC000775371638 623261251 /nfs/dbraw/zinc/26/12/51/623261251.db2.gz OPBCTTPEDSRACZ-WMZOPIPTSA-N 1 0 307.434 3.474 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@@H]3CCSC3)c2c1 ZINC000124967562 623264932 /nfs/dbraw/zinc/26/49/32/623264932.db2.gz HVLWKJYMAZIIDM-CYBMUJFWSA-N 1 0 303.427 3.491 20 10 DGCDRO CC[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+](CC)CC ZINC000775406615 623270432 /nfs/dbraw/zinc/27/04/32/623270432.db2.gz YUIHIYMDNOBKQU-WMLDXEAASA-N 1 0 305.466 3.050 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccccc1O ZINC000775491000 623279651 /nfs/dbraw/zinc/27/96/51/623279651.db2.gz XPTPDACUPFMNOM-PBHICJAKSA-N 1 0 319.376 3.012 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1O ZINC000775488058 623280205 /nfs/dbraw/zinc/28/02/05/623280205.db2.gz GJYJDLJYWWVAMK-MAUKXSAKSA-N 1 0 317.404 3.423 20 10 DGCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2cc(Cl)ccc2O)C1 ZINC000775513117 623282195 /nfs/dbraw/zinc/28/21/95/623282195.db2.gz GGHNFVAXLKWBAY-JSGCOSHPSA-N 1 0 310.825 3.097 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)CO[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775512322 623282478 /nfs/dbraw/zinc/28/24/78/623282478.db2.gz JCQFWLNJFVXJMZ-LNSITVRQSA-N 1 0 313.825 3.280 20 10 DGCDRO CC[C@H]([NH2+]CCCNc1ncccn1)c1cc(Cl)ccc1O ZINC000775512973 623282640 /nfs/dbraw/zinc/28/26/40/623282640.db2.gz UYEPTOBCHHUMKG-AWEZNQCLSA-N 1 0 320.824 3.379 20 10 DGCDRO CC[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1O ZINC000775513885 623283130 /nfs/dbraw/zinc/28/31/30/623283130.db2.gz OCXSXQNCIQRSTM-ZDUSSCGKSA-N 1 0 313.323 3.392 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)c1cc(Cl)ccc1O ZINC000775524712 623283940 /nfs/dbraw/zinc/28/39/40/623283940.db2.gz GVFLPOKBEUGFIE-XBFCOCLRSA-N 1 0 310.825 3.001 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccccc1O ZINC000775522169 623284098 /nfs/dbraw/zinc/28/40/98/623284098.db2.gz LDLBOTKTEMNQIL-GDBMZVCRSA-N 1 0 305.418 3.161 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1cc(Cl)ccc1O ZINC000775523886 623284180 /nfs/dbraw/zinc/28/41/80/623284180.db2.gz NSYSIIJJPYAWLF-KBPBESRZSA-N 1 0 310.825 3.096 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CO)c1ccccc1OC)c1ccccc1O ZINC000775523095 623284303 /nfs/dbraw/zinc/28/43/03/623284303.db2.gz GFSWFPHYXZYEDK-HOTGVXAUSA-N 1 0 301.386 3.175 20 10 DGCDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000775578221 623292629 /nfs/dbraw/zinc/29/26/29/623292629.db2.gz IXALSBHGPSJRMA-AGIUHOORSA-N 1 0 324.396 3.049 20 10 DGCDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000775578612 623292683 /nfs/dbraw/zinc/29/26/83/623292683.db2.gz IXALSBHGPSJRMA-XQQFMLRXSA-N 1 0 324.396 3.049 20 10 DGCDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000775578223 623292729 /nfs/dbraw/zinc/29/27/29/623292729.db2.gz IXALSBHGPSJRMA-AVGNSLFASA-N 1 0 324.396 3.049 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(Cc3cccs3)CC2)c1O ZINC000775644982 623302059 /nfs/dbraw/zinc/30/20/59/623302059.db2.gz ZCBOGLFRKAFPLF-UHFFFAOYSA-N 1 0 302.443 3.080 20 10 DGCDRO CNC(=O)c1ccc(C[N@H+](Cc2cccc(C)c2O)C2CC2)cc1 ZINC000775648617 623304132 /nfs/dbraw/zinc/30/41/32/623304132.db2.gz DYVWDSLOGNPFSM-UHFFFAOYSA-N 1 0 324.424 3.225 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1O ZINC000775654203 623304508 /nfs/dbraw/zinc/30/45/08/623304508.db2.gz IGPJVJPXORXTFR-ZDUSSCGKSA-N 1 0 303.324 3.244 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1O ZINC000775650391 623305406 /nfs/dbraw/zinc/30/54/06/623305406.db2.gz ZQIHRIMODYIWIZ-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000775690300 623314507 /nfs/dbraw/zinc/31/45/07/623314507.db2.gz PRRMTNODMLLBNR-AAEUAGOBSA-N 1 0 323.742 3.242 20 10 DGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC000775717912 623317884 /nfs/dbraw/zinc/31/78/84/623317884.db2.gz VFJASADHGZFLGW-IAQYHMDHSA-N 1 0 314.832 3.347 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775835496 623339888 /nfs/dbraw/zinc/33/98/88/623339888.db2.gz ZXGDQJLTMIODPX-HNNXBMFYSA-N 1 0 311.429 3.066 20 10 DGCDRO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000776012679 623364691 /nfs/dbraw/zinc/36/46/91/623364691.db2.gz IPWVUHSOKOGNNH-ONGXEEELSA-N 1 0 317.307 3.284 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000125189565 623378671 /nfs/dbraw/zinc/37/86/71/623378671.db2.gz OGUCUYMLASRHQJ-MRXNPFEDSA-N 1 0 310.532 3.471 20 10 DGCDRO COc1nc(C)cc(C)c1C[NH2+]Cc1c(O)cccc1Cl ZINC000776163835 623386618 /nfs/dbraw/zinc/38/66/18/623386618.db2.gz LWCTVBMYDFZHKD-UHFFFAOYSA-N 1 0 306.793 3.356 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCn1cnc2ccccc21 ZINC000776174243 623390735 /nfs/dbraw/zinc/39/07/35/623390735.db2.gz GAYDURQWWUTMTB-UHFFFAOYSA-N 1 0 301.777 3.185 20 10 DGCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000776176095 623391131 /nfs/dbraw/zinc/39/11/31/623391131.db2.gz XWPOSUJNZFXFOK-AWEZNQCLSA-N 1 0 303.793 3.311 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)C12CCCC2 ZINC000776224587 623399414 /nfs/dbraw/zinc/39/94/14/623399414.db2.gz UKBWLULIUNRRQB-SJORKVTESA-N 1 0 305.418 3.228 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H](c2cccnc2)C2CC2)cc1OC ZINC000776252408 623401876 /nfs/dbraw/zinc/40/18/76/623401876.db2.gz CPGWFLXYXPWIIZ-GOSISDBHSA-N 1 0 314.385 3.045 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c(O)cc1C ZINC000776771821 623461596 /nfs/dbraw/zinc/46/15/96/623461596.db2.gz LCSPSLMHCXHFHN-INIZCTEOSA-N 1 0 305.418 3.100 20 10 DGCDRO C[C@H]([NH2+]CCOC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000776891799 623474730 /nfs/dbraw/zinc/47/47/30/623474730.db2.gz YHGLHDWMKAOFJX-AWEZNQCLSA-N 1 0 324.440 3.128 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)cc1 ZINC000776958181 623479432 /nfs/dbraw/zinc/47/94/32/623479432.db2.gz AKMQKNWECPXUEY-GOSISDBHSA-N 1 0 318.461 3.308 20 10 DGCDRO COCC1([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000777237161 623507919 /nfs/dbraw/zinc/50/79/19/623507919.db2.gz HGFBERBNNJQTAJ-CYBMUJFWSA-N 1 0 324.852 3.006 20 10 DGCDRO Oc1cccc(Cl)c1CNc1cnn(-c2cc[nH+]cc2)c1 ZINC000777465254 623529446 /nfs/dbraw/zinc/52/94/46/623529446.db2.gz HFRCRHPWVSKJBW-UHFFFAOYSA-N 1 0 300.749 3.238 20 10 DGCDRO CC(C)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000777520012 623535003 /nfs/dbraw/zinc/53/50/03/623535003.db2.gz WKVYQEORKPVNJR-UHFFFAOYSA-N 1 0 314.433 3.162 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(O)cc1C ZINC000777550180 623540291 /nfs/dbraw/zinc/54/02/91/623540291.db2.gz FXZCPMKEWAZZIQ-MRXNPFEDSA-N 1 0 305.418 3.100 20 10 DGCDRO COCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CC[C@@H](C)C1 ZINC000790478761 625659122 /nfs/dbraw/zinc/65/91/22/625659122.db2.gz LTIURTFCUZYHMG-UKRRQHHQSA-N 1 0 323.433 3.046 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c1 ZINC000790498148 625661257 /nfs/dbraw/zinc/66/12/57/625661257.db2.gz PGSJJEJPWVSLEZ-CXAGYDPISA-N 1 0 306.450 3.172 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1C(C)C ZINC000790455279 625656158 /nfs/dbraw/zinc/65/61/58/625656158.db2.gz ZCPWKNNDXGQTMS-INIZCTEOSA-N 1 0 316.445 3.021 20 10 DGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](OC)C1CCOCC1 ZINC000876522089 623633113 /nfs/dbraw/zinc/63/31/13/623633113.db2.gz HGTGQPWZEPFRMJ-IBGZPJMESA-N 1 0 320.477 3.016 20 10 DGCDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876525965 623633891 /nfs/dbraw/zinc/63/38/91/623633891.db2.gz NYAHLDBVEGJARN-HOTGVXAUSA-N 1 0 302.462 3.126 20 10 DGCDRO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876571630 623647435 /nfs/dbraw/zinc/64/74/35/623647435.db2.gz BFVRBMWSWIXECS-OAHLLOKOSA-N 1 0 314.429 3.434 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000876591317 623654086 /nfs/dbraw/zinc/65/40/86/623654086.db2.gz GLCDBQWPCFGVOU-SFHVURJKSA-N 1 0 301.361 3.413 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2c(C)cccc2O)cc(OC)c1 ZINC000876596602 623655792 /nfs/dbraw/zinc/65/57/92/623655792.db2.gz CFVVEUNCQRBUHM-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CC1 ZINC000876605890 623657652 /nfs/dbraw/zinc/65/76/52/623657652.db2.gz QEXARMJPJOXASX-UHFFFAOYSA-N 1 0 302.462 3.268 20 10 DGCDRO COc1ccccc1OCC[N@H+](C)Cc1c(C)cccc1O ZINC000876614081 623660276 /nfs/dbraw/zinc/66/02/76/623660276.db2.gz XELFNYWDONPDNC-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876658288 623672477 /nfs/dbraw/zinc/67/24/77/623672477.db2.gz RRQAOKASFWLAEY-JKSUJKDBSA-N 1 0 318.461 3.217 20 10 DGCDRO COc1cccc([C@H]2C[N@H+](Cc3ccc(C)cc3O)CCO2)c1 ZINC000876689380 623683249 /nfs/dbraw/zinc/68/32/49/623683249.db2.gz WZYGQIXGNSCUNP-LJQANCHMSA-N 1 0 313.397 3.283 20 10 DGCDRO CC[C@]1(C)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876782625 623704974 /nfs/dbraw/zinc/70/49/74/623704974.db2.gz RABPJNMYGZGPPK-LJQANCHMSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000778998071 623718000 /nfs/dbraw/zinc/71/80/00/623718000.db2.gz GXXPZDWEYVEEKX-DLBZAZTESA-N 1 0 318.461 3.022 20 10 DGCDRO C[C@H]1C[NH+](Cc2ccccc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000779019318 623721465 /nfs/dbraw/zinc/72/14/65/623721465.db2.gz SHOXWYMMJGRBBF-KBPBESRZSA-N 1 0 320.433 3.222 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)CO)c1O ZINC000779039953 623723498 /nfs/dbraw/zinc/72/34/98/623723498.db2.gz TWMSXTGUFPAKMX-JTQLQIEISA-N 1 0 316.239 3.132 20 10 DGCDRO COCC1([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000779048688 623724743 /nfs/dbraw/zinc/72/47/43/623724743.db2.gz ZQCLCCNZONSGAR-JTQLQIEISA-N 1 0 314.223 3.293 20 10 DGCDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000779106330 623729945 /nfs/dbraw/zinc/72/99/45/623729945.db2.gz NLQTVVRNXMLRAA-SGTLLEGYSA-N 1 0 319.376 3.406 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000876884656 623736234 /nfs/dbraw/zinc/73/62/34/623736234.db2.gz RAZZMBITJYOVMJ-KRWDZBQOSA-N 1 0 302.393 3.232 20 10 DGCDRO COc1cccc([C@H](C[NH2+]Cc2c(C)cccc2O)N(C)C)c1 ZINC000876885921 623736625 /nfs/dbraw/zinc/73/66/25/623736625.db2.gz RTKNXQWXPSXEIN-SFHVURJKSA-N 1 0 314.429 3.102 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000876894896 623738479 /nfs/dbraw/zinc/73/84/79/623738479.db2.gz YJTWVIYVBWFISR-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC(C)(C)O)C2CC2)cc1F ZINC000779192065 623740207 /nfs/dbraw/zinc/74/02/07/623740207.db2.gz IYRXXSOTNORNMS-UHFFFAOYSA-N 1 0 308.441 3.407 20 10 DGCDRO CC1CC[NH+](CCCC[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876934303 623747609 /nfs/dbraw/zinc/74/76/09/623747609.db2.gz GNVNVTVTRMYDPF-UHFFFAOYSA-N 1 0 312.404 3.272 20 10 DGCDRO CO[C@](C)(C[NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000876942815 623750732 /nfs/dbraw/zinc/75/07/32/623750732.db2.gz GGJSCKCIEBZUIJ-GOSISDBHSA-N 1 0 320.502 3.145 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CS1 ZINC000876942772 623750736 /nfs/dbraw/zinc/75/07/36/623750736.db2.gz FCQJVCLNDGEROM-HIFRSBDPSA-N 1 0 308.516 3.223 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](OC)C2CCOCC2)cc1 ZINC000876944678 623751011 /nfs/dbraw/zinc/75/10/11/623751011.db2.gz OVMOLGWNCKADML-LJQANCHMSA-N 1 0 320.477 3.064 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c(O)c1 ZINC000876983959 623759836 /nfs/dbraw/zinc/75/98/36/623759836.db2.gz BAZHOMFSWXQLLH-QGZVFWFLSA-N 1 0 312.413 3.010 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000877017894 623767555 /nfs/dbraw/zinc/76/75/55/623767555.db2.gz WNYWKAKZOUJZGJ-UHFFFAOYSA-N 1 0 308.422 3.047 20 10 DGCDRO CC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877026520 623768766 /nfs/dbraw/zinc/76/87/66/623768766.db2.gz BSKMETHKJOKBNS-UHFFFAOYSA-N 1 0 302.462 3.318 20 10 DGCDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000877035160 623771395 /nfs/dbraw/zinc/77/13/95/623771395.db2.gz CXQACIRGMPCISS-QKVFXAPYSA-N 1 0 315.350 3.213 20 10 DGCDRO COc1cc(C[C@H](C)[NH2+]CCCSc2nccs2)ccn1 ZINC000877061372 623779520 /nfs/dbraw/zinc/77/95/20/623779520.db2.gz FYDYRYCRNXPBFE-LBPRGKRZSA-N 1 0 323.487 3.250 20 10 DGCDRO CCOCC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000779599198 623780582 /nfs/dbraw/zinc/78/05/82/623780582.db2.gz RNERWNFYJCMDRM-UHFFFAOYSA-N 1 0 321.421 3.053 20 10 DGCDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877068162 623782798 /nfs/dbraw/zinc/78/27/98/623782798.db2.gz MWZWDUSNWLPKJE-YJBOKZPZSA-N 1 0 320.502 3.021 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCOC3(C1)CCCCCC3)OCO2 ZINC000126328466 623789759 /nfs/dbraw/zinc/78/97/59/623789759.db2.gz BRLSQTWUXCWCNW-UHFFFAOYSA-N 1 0 319.401 3.046 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000877122416 623796167 /nfs/dbraw/zinc/79/61/67/623796167.db2.gz SUZVBWDGHSADEF-LRTDBIEQSA-N 1 0 303.427 3.289 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(F)c(F)c1 ZINC000877132889 623799415 /nfs/dbraw/zinc/79/94/15/623799415.db2.gz QFOVTKZWAGFXBG-MRXNPFEDSA-N 1 0 307.340 3.456 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(F)c(F)c1 ZINC000877132888 623799583 /nfs/dbraw/zinc/79/95/83/623799583.db2.gz QFOVTKZWAGFXBG-INIZCTEOSA-N 1 0 307.340 3.456 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)c(O)c1 ZINC000877146811 623807686 /nfs/dbraw/zinc/80/76/86/623807686.db2.gz KUKMWJCGCVOPRK-QGZVFWFLSA-N 1 0 310.401 3.230 20 10 DGCDRO Cc1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)c(O)c1 ZINC000877150696 623808646 /nfs/dbraw/zinc/80/86/46/623808646.db2.gz ZOJSRDZJKFORLE-UHFFFAOYSA-N 1 0 313.376 3.059 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C34CCC(CC3)C4)cc2)CC1 ZINC000877308975 623847364 /nfs/dbraw/zinc/84/73/64/623847364.db2.gz FYRCVFZIPDTGGY-UHFFFAOYSA-N 1 0 300.446 3.070 20 10 DGCDRO Cc1ccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)c(O)c1 ZINC000877308541 623848219 /nfs/dbraw/zinc/84/82/19/623848219.db2.gz VTJXSXZSZQKTFN-UHFFFAOYSA-N 1 0 320.433 3.238 20 10 DGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877413927 623874678 /nfs/dbraw/zinc/87/46/78/623874678.db2.gz UANNOJGDJOUDET-KXBFYZLASA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000877481685 623902934 /nfs/dbraw/zinc/90/29/34/623902934.db2.gz POMDETJIUSQIMJ-UHFFFAOYSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000877546985 623935689 /nfs/dbraw/zinc/93/56/89/623935689.db2.gz ZUOBYRQGVBDOQL-OAHLLOKOSA-N 1 0 300.377 3.208 20 10 DGCDRO Cc1ccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c(O)c1 ZINC000877550245 623938540 /nfs/dbraw/zinc/93/85/40/623938540.db2.gz VOZBMFUHONUQIW-UHFFFAOYSA-N 1 0 310.319 3.447 20 10 DGCDRO CC[C@@H](C[NH2+]Cc1c(C)cccc1O)NC(=O)OC(C)(C)C ZINC000877561892 623942569 /nfs/dbraw/zinc/94/25/69/623942569.db2.gz MTZFRJHDPZVXSL-ZDUSSCGKSA-N 1 0 308.422 3.094 20 10 DGCDRO CC(C)(C)C1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877582512 623951709 /nfs/dbraw/zinc/95/17/09/623951709.db2.gz ZSXLCDADTUJRHM-UHFFFAOYSA-N 1 0 302.462 3.126 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1O ZINC000780579096 623954220 /nfs/dbraw/zinc/95/42/20/623954220.db2.gz ZDSLEYZVHPIHME-BXKDBHETSA-N 1 0 314.223 3.442 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC3CCC(F)CC3)cc2)CC1 ZINC000877607362 623960023 /nfs/dbraw/zinc/96/00/23/623960023.db2.gz FVSZYXOSSCGPTE-UHFFFAOYSA-N 1 0 320.452 3.266 20 10 DGCDRO CSC(C)(C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877637133 623972198 /nfs/dbraw/zinc/97/21/98/623972198.db2.gz NXQYSYAFVFQCLO-UHFFFAOYSA-N 1 0 322.518 3.269 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c(O)c1 ZINC000877644082 623975453 /nfs/dbraw/zinc/97/54/53/623975453.db2.gz MBDABXJBGZGDDR-GOSISDBHSA-N 1 0 312.413 3.089 20 10 DGCDRO COc1cccc([C@@H](C[NH2+]Cc2c(C)cccc2O)OC)c1 ZINC000877647170 623976883 /nfs/dbraw/zinc/97/68/83/623976883.db2.gz BDBIWEZEWQHIKT-GOSISDBHSA-N 1 0 301.386 3.187 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000877660044 623980603 /nfs/dbraw/zinc/98/06/03/623980603.db2.gz HKUKVAVNHKXEOO-ZDUSSCGKSA-N 1 0 308.422 3.046 20 10 DGCDRO FCCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000877673238 623987209 /nfs/dbraw/zinc/98/72/09/623987209.db2.gz CUPBIWCLJWOKRO-UHFFFAOYSA-N 1 0 306.425 3.095 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C[C@@H](C)C(=O)OC)C2CC2)cc1 ZINC000780892793 623994254 /nfs/dbraw/zinc/99/42/54/623994254.db2.gz KDVSHGZZYSWKIU-OAHLLOKOSA-N 1 0 318.461 3.306 20 10 DGCDRO COc1ccccc1[C@H]1C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000877754831 624020635 /nfs/dbraw/zinc/02/06/35/624020635.db2.gz UTFXOLRTWGCXLU-LJQANCHMSA-N 1 0 313.397 3.283 20 10 DGCDRO COc1cc(F)c(C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000877758353 624023869 /nfs/dbraw/zinc/02/38/69/624023869.db2.gz VFZRMASDHYFYNJ-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000877818027 624049494 /nfs/dbraw/zinc/04/94/94/624049494.db2.gz CMYAJLMFJWJNDZ-HNNXBMFYSA-N 1 0 305.418 3.174 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H](C(F)(F)F)O1 ZINC000877824301 624056772 /nfs/dbraw/zinc/05/67/72/624056772.db2.gz QZMCXEYPRADATI-RNCFNFMXSA-N 1 0 307.287 3.073 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c(O)c(C(C)(C)C)c1 ZINC000877836834 624064882 /nfs/dbraw/zinc/06/48/82/624064882.db2.gz MRFIFWZIAQYRLV-AWEZNQCLSA-N 1 0 321.461 3.291 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CC(C)(C)CO3)CC2)cc1 ZINC000877983124 624124194 /nfs/dbraw/zinc/12/41/94/624124194.db2.gz GPNPKVVISJUUGF-SFHVURJKSA-N 1 0 318.461 3.022 20 10 DGCDRO CCN(CCC[NH+]1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000781897995 624166859 /nfs/dbraw/zinc/16/68/59/624166859.db2.gz FHYXAAJPAGPMFQ-UHFFFAOYSA-N 1 0 306.450 3.406 20 10 DGCDRO C[C@@H]1OCC[C@H]1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000878240774 624224134 /nfs/dbraw/zinc/22/41/34/624224134.db2.gz KUELRRIMHBBOSV-GJZGRUSLSA-N 1 0 301.386 3.412 20 10 DGCDRO C[N@H+](Cc1cncn1Cc1ccccc1)Cc1ccccc1O ZINC000782513502 624258142 /nfs/dbraw/zinc/25/81/42/624258142.db2.gz RFVSFYCJVLJGNT-UHFFFAOYSA-N 1 0 307.397 3.269 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccncc2OC)c(O)c1 ZINC000782543987 624262794 /nfs/dbraw/zinc/26/27/94/624262794.db2.gz BZLKYHJDMSHDAC-GFCCVEGCSA-N 1 0 302.374 3.045 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000878455212 624282288 /nfs/dbraw/zinc/28/22/88/624282288.db2.gz SQFHONNSDZBDHR-YJBOKZPZSA-N 1 0 318.461 3.131 20 10 DGCDRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000783244271 624330111 /nfs/dbraw/zinc/33/01/11/624330111.db2.gz FOSUAYNJBVDWKD-WQVCFCJDSA-N 1 0 308.853 3.398 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2)CC1 ZINC000783623167 624375555 /nfs/dbraw/zinc/37/55/55/624375555.db2.gz HWGSFFFELYCXIQ-GOSISDBHSA-N 1 0 302.462 3.439 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC=C(c3cnn(C)c3)C2)cc1 ZINC000878908927 624386307 /nfs/dbraw/zinc/38/63/07/624386307.db2.gz ZGDIKOMYRSTYJO-UHFFFAOYSA-N 1 0 310.445 3.166 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c(O)c1 ZINC000784665378 624566371 /nfs/dbraw/zinc/56/63/71/624566371.db2.gz UWXKJTAEBURHHU-SFHVURJKSA-N 1 0 305.418 3.182 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c(O)c1 ZINC000784665371 624567083 /nfs/dbraw/zinc/56/70/83/624567083.db2.gz UWXKJTAEBURHHU-GOSISDBHSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCc3ccc(OC)cc3CC2)c1 ZINC000784679561 624569867 /nfs/dbraw/zinc/56/98/67/624569867.db2.gz KYVYYHOMJNFFFZ-UHFFFAOYSA-N 1 0 313.397 3.010 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccccc1)c1ccccc1O ZINC000879648031 624621516 /nfs/dbraw/zinc/62/15/16/624621516.db2.gz WHHKOAACEFWGJB-HUUCEWRRSA-N 1 0 312.413 3.262 20 10 DGCDRO C[C@@H]([NH2+]CCCn1c(=O)[nH]c2ccccc21)c1ccccc1O ZINC000879648602 624621573 /nfs/dbraw/zinc/62/15/73/624621573.db2.gz VRVPXJXFDFDJLE-CYBMUJFWSA-N 1 0 311.385 3.188 20 10 DGCDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648972 624623202 /nfs/dbraw/zinc/62/32/02/624623202.db2.gz IAAKAYJHRGNITA-CVEARBPZSA-N 1 0 315.413 3.100 20 10 DGCDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879650951 624624028 /nfs/dbraw/zinc/62/40/28/624624028.db2.gz ZMVLYLHHLDZVPL-ZDUSSCGKSA-N 1 0 314.385 3.080 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)N1CCCc2ccccc21)c1ccccc1O ZINC000879650934 624624112 /nfs/dbraw/zinc/62/41/12/624624112.db2.gz YMBAKIOQFJFVGE-HNNXBMFYSA-N 1 0 324.424 3.412 20 10 DGCDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879652831 624626380 /nfs/dbraw/zinc/62/63/80/624626380.db2.gz ITBYCNKAXDQJPK-RRFJBIMHSA-N 1 0 304.434 3.222 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1ccccc1O ZINC000879652397 624626599 /nfs/dbraw/zinc/62/65/99/624626599.db2.gz COUGPMPODFGINX-GJZGRUSLSA-N 1 0 324.424 3.411 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1CCc2ccccc2C1 ZINC000879652376 624626608 /nfs/dbraw/zinc/62/66/08/624626608.db2.gz ZMQJLCVOWTUUQA-LSDHHAIUSA-N 1 0 324.424 3.016 20 10 DGCDRO c1cc(N2CCSCC2)ccc1C[NH2+]C[C@@H]1CCSC1 ZINC000785426721 624664891 /nfs/dbraw/zinc/66/48/91/624664891.db2.gz RNACQLMBRRCDDI-HNNXBMFYSA-N 1 0 308.516 3.083 20 10 DGCDRO C[C@@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000785438762 624666150 /nfs/dbraw/zinc/66/61/50/624666150.db2.gz IPRPJABADMFQHJ-AWEZNQCLSA-N 1 0 321.465 3.098 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCn3nccc32)c1O ZINC000879786146 624676142 /nfs/dbraw/zinc/67/61/42/624676142.db2.gz DBGOAOKLAMTTBN-CQSZACIVSA-N 1 0 319.792 3.069 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1O ZINC000785990240 624775343 /nfs/dbraw/zinc/77/53/43/624775343.db2.gz ZXSUXVHEJCUVAE-MISXGVKJSA-N 1 0 313.825 3.036 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC000786936579 624965785 /nfs/dbraw/zinc/96/57/85/624965785.db2.gz FTAKIYHAMOVLCE-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)[C@H]1C ZINC000787245144 624991489 /nfs/dbraw/zinc/99/14/89/624991489.db2.gz ZWOMSXYIKWKIQS-DZGCQCFKSA-N 1 0 305.418 3.207 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)cc1F ZINC000787420454 625008563 /nfs/dbraw/zinc/00/85/63/625008563.db2.gz HGQURIYVOLZGKA-UKRRQHHQSA-N 1 0 322.424 3.055 20 10 DGCDRO COc1cccc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c1O ZINC000787770693 625048573 /nfs/dbraw/zinc/04/85/73/625048573.db2.gz UYIAQSPLGFWQKX-GOSISDBHSA-N 1 0 315.413 3.250 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1 ZINC000788257667 625105283 /nfs/dbraw/zinc/10/52/83/625105283.db2.gz CHMYTBAECYOXCC-CZUORRHYSA-N 1 0 317.433 3.225 20 10 DGCDRO CC1(C)CC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000788581350 625220471 /nfs/dbraw/zinc/22/04/71/625220471.db2.gz VGUYQJIIZIWMEM-UHFFFAOYSA-N 1 0 302.462 3.174 20 10 DGCDRO CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790961958 625723748 /nfs/dbraw/zinc/72/37/48/625723748.db2.gz FTCQARUBTIVHIR-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO CC1CC[NH+](CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000882893273 625848456 /nfs/dbraw/zinc/84/84/56/625848456.db2.gz POJOCRXLURKQPB-UHFFFAOYSA-N 1 0 312.404 3.272 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883003254 625893673 /nfs/dbraw/zinc/89/36/73/625893673.db2.gz GLTGEBCCPVSBQQ-UHFFFAOYSA-N 1 0 312.369 3.050 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cccc3c2CCOC3)n1 ZINC000883012398 625896810 /nfs/dbraw/zinc/89/68/10/625896810.db2.gz DVYLVHRWGQHNCH-UHFFFAOYSA-N 1 0 320.483 3.488 20 10 DGCDRO CSCC[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000130767678 625902146 /nfs/dbraw/zinc/90/21/46/625902146.db2.gz UOGZCXATGOPGEW-SECBINFHSA-N 1 0 304.253 3.386 20 10 DGCDRO C[NH+](C)Cc1ccc(NCc2cc(F)cc(F)c2O)c(F)c1 ZINC000883146021 625942546 /nfs/dbraw/zinc/94/25/46/625942546.db2.gz WXWRMFUTDYCWIJ-UHFFFAOYSA-N 1 0 310.319 3.483 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(SC)o3)C2)cc1 ZINC000883166091 625949872 /nfs/dbraw/zinc/94/98/72/625949872.db2.gz RXXJTUBGNHKHRR-CYBMUJFWSA-N 1 0 318.442 3.379 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883175589 625955456 /nfs/dbraw/zinc/95/54/56/625955456.db2.gz KIYGHKBLXWBTLA-KRWDZBQOSA-N 1 0 300.446 3.336 20 10 DGCDRO CC(C)CC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000796448945 626050808 /nfs/dbraw/zinc/05/08/08/626050808.db2.gz KVEONPYLSXVPHK-MSOLQXFVSA-N 1 0 321.461 3.170 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccccc1O ZINC000797132154 626116699 /nfs/dbraw/zinc/11/66/99/626116699.db2.gz KQPPVOSFQDDIGI-ZSEKCTLFSA-N 1 0 303.427 3.122 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1 ZINC000797134486 626117329 /nfs/dbraw/zinc/11/73/29/626117329.db2.gz SQCXCIOQAGSUQW-JLCFBVMHSA-N 1 0 317.454 3.430 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1 ZINC000797134488 626117351 /nfs/dbraw/zinc/11/73/51/626117351.db2.gz SQCXCIOQAGSUQW-PEBXRYMYSA-N 1 0 317.454 3.430 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000797418760 626141440 /nfs/dbraw/zinc/14/14/40/626141440.db2.gz VQGYCCGUBOSNMC-TXPKVOOTSA-N 1 0 319.445 3.167 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000798493823 626220847 /nfs/dbraw/zinc/22/08/47/626220847.db2.gz TXWPSLWCGZUWSP-SQWLQELKSA-N 1 0 305.418 3.086 20 10 DGCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000798495015 626221371 /nfs/dbraw/zinc/22/13/71/626221371.db2.gz WWYUVAOGUFPKFO-UHFFFAOYSA-N 1 0 304.413 3.267 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc(N(C)C)cc1 ZINC000799342419 626293399 /nfs/dbraw/zinc/29/33/99/626293399.db2.gz IMFIXUPYOYMOLD-SNVBAGLBSA-N 1 0 312.339 3.345 20 10 DGCDRO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000799717650 626324037 /nfs/dbraw/zinc/32/40/37/626324037.db2.gz IUVTYLOILFMYIH-HNNXBMFYSA-N 1 0 304.393 3.360 20 10 DGCDRO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000799732526 626325953 /nfs/dbraw/zinc/32/59/53/626325953.db2.gz ZZSVFPKFKOHVBS-LPHOPBHVSA-N 1 0 312.457 3.397 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccc(N2CCOCC2)cc1 ZINC000800968130 626387115 /nfs/dbraw/zinc/38/71/15/626387115.db2.gz GIEFTOGEIWLNRF-HYEGPXJVSA-N 1 0 300.446 3.362 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)ccc1N1CCOCC1 ZINC000800968128 626387346 /nfs/dbraw/zinc/38/73/46/626387346.db2.gz XQAHQCOIJXQIMH-AEFFLSMTSA-N 1 0 318.436 3.331 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000800987149 626388599 /nfs/dbraw/zinc/38/85/99/626388599.db2.gz QUTLMRDAVWQYHE-UKRRQHHQSA-N 1 0 313.397 3.445 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000801530263 626407974 /nfs/dbraw/zinc/40/79/74/626407974.db2.gz ZVZFEGZICFDGNK-JTQLQIEISA-N 1 0 320.320 3.299 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]CC1CC(c3ccccc3)C1)OCO2 ZINC000801730143 626416300 /nfs/dbraw/zinc/41/63/00/626416300.db2.gz GTRZJVYENPILIN-UHFFFAOYSA-N 1 0 311.381 3.404 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000801732834 626416682 /nfs/dbraw/zinc/41/66/82/626416682.db2.gz YTOIESKLKOLEHW-KBPBESRZSA-N 1 0 307.434 3.474 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC(C)(C)C(F)(F)F)cc1OC ZINC000802653347 626565052 /nfs/dbraw/zinc/56/50/52/626565052.db2.gz RWRDTVZQHZHQOC-UHFFFAOYSA-N 1 0 307.312 3.088 20 10 DGCDRO FC(F)O[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000802658823 626565925 /nfs/dbraw/zinc/56/59/25/626565925.db2.gz RDCOUYSNNRFHAQ-INIZCTEOSA-N 1 0 310.388 3.490 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(C)cc1O ZINC000883275971 626632929 /nfs/dbraw/zinc/63/29/29/626632929.db2.gz DFTRZMVMVAGEEB-WBVHZDCISA-N 1 0 303.402 3.186 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cc(Cl)ccc1O ZINC000883276674 626633708 /nfs/dbraw/zinc/63/37/08/626633708.db2.gz OFTZHWPENKSWJQ-WCQYABFASA-N 1 0 309.793 3.140 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCCOC1 ZINC000883354559 626657892 /nfs/dbraw/zinc/65/78/92/626657892.db2.gz YCNQBCCHGDDQFC-BLLLJJGKSA-N 1 0 312.404 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCC3(CCC3)O2)cc1 ZINC000883363661 626662193 /nfs/dbraw/zinc/66/21/93/626662193.db2.gz KANDBBKDQHUCEX-LKIHTYOGSA-N 1 0 300.446 3.457 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(-n2ccnn2)c1 ZINC000806138202 626700996 /nfs/dbraw/zinc/70/09/96/626700996.db2.gz XADOZTCDECPWJH-AWEZNQCLSA-N 1 0 320.396 3.053 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1Cl ZINC000132375459 626716505 /nfs/dbraw/zinc/71/65/05/626716505.db2.gz UTIKFISJEGOXQJ-UHFFFAOYSA-N 1 0 321.760 3.073 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000840120450 626772232 /nfs/dbraw/zinc/77/22/32/626772232.db2.gz LLUDUPCSLAMMKR-ZTFGCOKTSA-N 1 0 312.413 3.066 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1C ZINC000808238903 626807895 /nfs/dbraw/zinc/80/78/95/626807895.db2.gz PPSLVLUPRHWTCO-UHFFFAOYSA-N 1 0 311.381 3.382 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)c1O ZINC000808674005 626848114 /nfs/dbraw/zinc/84/81/14/626848114.db2.gz MGANXQHQHDIYON-ABAIWWIYSA-N 1 0 318.804 3.231 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)c1O ZINC000808694481 626850673 /nfs/dbraw/zinc/85/06/73/626850673.db2.gz DGNFAYRIJUZWCN-SNVBAGLBSA-N 1 0 324.774 3.499 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000808708570 626852672 /nfs/dbraw/zinc/85/26/72/626852672.db2.gz NHHFOJZAXVZSFM-QPUJVOFHSA-N 1 0 311.731 3.318 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)c2ccccc2)C2CC2)cc1 ZINC000134065875 626852924 /nfs/dbraw/zinc/85/29/24/626852924.db2.gz RFKRUBOQFCMALL-HXUWFJFHSA-N 1 0 310.441 3.451 20 10 DGCDRO CCn1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)c1=O ZINC000808716394 626852959 /nfs/dbraw/zinc/85/29/59/626852959.db2.gz NGIQXQAWEWBAQM-GFCCVEGCSA-N 1 0 320.820 3.386 20 10 DGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808713999 626853154 /nfs/dbraw/zinc/85/31/54/626853154.db2.gz LHXRQHLHHWJTNS-BYCMXARLSA-N 1 0 313.825 3.199 20 10 DGCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808717320 626853239 /nfs/dbraw/zinc/85/32/39/626853239.db2.gz BZISFJLXBWHDCL-JSGCOSHPSA-N 1 0 324.852 3.263 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000808715531 626853348 /nfs/dbraw/zinc/85/33/48/626853348.db2.gz VLILYIHOQWRABP-DGCLKSJQSA-N 1 0 305.809 3.216 20 10 DGCDRO C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1O ZINC000808728061 626854354 /nfs/dbraw/zinc/85/43/54/626854354.db2.gz MMBXTNQVGZSORP-IINYFYTJSA-N 1 0 305.324 3.325 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c(O)c1 ZINC000808729424 626855116 /nfs/dbraw/zinc/85/51/16/626855116.db2.gz JOCFFKFSUHESMU-IUODEOHRSA-N 1 0 301.361 3.494 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1C ZINC000134835048 626888730 /nfs/dbraw/zinc/88/87/30/626888730.db2.gz XUYOHLUAQUPIFE-CYBMUJFWSA-N 1 0 316.367 3.077 20 10 DGCDRO CSC1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000809607330 626925289 /nfs/dbraw/zinc/92/52/89/626925289.db2.gz WYGFKVDHIDQFTJ-UHFFFAOYSA-N 1 0 308.516 3.225 20 10 DGCDRO CN(C)c1ccc(CNc2c[nH+]ccc2-n2cccn2)cc1F ZINC000809632289 626929923 /nfs/dbraw/zinc/92/99/23/626929923.db2.gz ODICZTUEESZGQD-UHFFFAOYSA-N 1 0 311.364 3.085 20 10 DGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Cl)cc(C)c1O ZINC000809698528 626937873 /nfs/dbraw/zinc/93/78/73/626937873.db2.gz ZLHXRWJOPZGNSC-KWEIWBAHSA-N 1 0 307.821 3.209 20 10 DGCDRO CCC[N@H+](CCN1CCCCC1)Cc1cc(OC)ccc1O ZINC000809705643 626939180 /nfs/dbraw/zinc/93/91/80/626939180.db2.gz YLZQOPWMUDOXNN-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000809726867 626942333 /nfs/dbraw/zinc/94/23/33/626942333.db2.gz WOGOCWRJJIQKMH-OAHLLOKOSA-N 1 0 324.396 3.022 20 10 DGCDRO COCC[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1O ZINC000809734559 626942997 /nfs/dbraw/zinc/94/29/97/626942997.db2.gz JLNQZSGXZPOHPZ-UHFFFAOYSA-N 1 0 306.793 3.089 20 10 DGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2cccc(C)c2O)o1 ZINC000809735879 626943652 /nfs/dbraw/zinc/94/36/52/626943652.db2.gz WNWHPEIHLYKZHR-UHFFFAOYSA-N 1 0 302.418 3.166 20 10 DGCDRO COc1ccc2oc(C[NH2+]Cc3cccc(OC)c3O)cc2c1 ZINC000809739248 626943989 /nfs/dbraw/zinc/94/39/89/626943989.db2.gz CHYFAUHLPBOONJ-UHFFFAOYSA-N 1 0 313.353 3.445 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000809748613 626946218 /nfs/dbraw/zinc/94/62/18/626946218.db2.gz ADBYJRHOXXGUPD-HNNXBMFYSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000809748969 626946227 /nfs/dbraw/zinc/94/62/27/626946227.db2.gz AEQDAUIANCPQGT-AWEZNQCLSA-N 1 0 305.418 3.254 20 10 DGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1c(O)cccc1OC ZINC000809754790 626947731 /nfs/dbraw/zinc/94/77/31/626947731.db2.gz BBQITLAMURJWHC-UHFFFAOYSA-N 1 0 317.433 3.072 20 10 DGCDRO COc1ccc(N(CCC(C)C)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000809999147 626967155 /nfs/dbraw/zinc/96/71/55/626967155.db2.gz CKFPLXYOCQHDMY-SFHVURJKSA-N 1 0 320.477 3.003 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)cc1 ZINC000810170603 626983769 /nfs/dbraw/zinc/98/37/69/626983769.db2.gz NTMISOGALSHINP-GOSISDBHSA-N 1 0 316.470 3.392 20 10 DGCDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1c(O)cccc1Cl)C2 ZINC000810178379 626984948 /nfs/dbraw/zinc/98/49/48/626984948.db2.gz OAXGVWBGYZHQGQ-ZDUSSCGKSA-N 1 0 303.789 3.447 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810216344 626988884 /nfs/dbraw/zinc/98/88/84/626988884.db2.gz SZLQRDYUETZFQD-ZWNOBZJWSA-N 1 0 304.356 3.402 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(C(F)(F)F)cc1O ZINC000810222738 626989417 /nfs/dbraw/zinc/98/94/17/626989417.db2.gz ABKSFNLKWIPGOE-ZKYQVNSYSA-N 1 0 315.335 3.389 20 10 DGCDRO Cc1coc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000885924687 627061101 /nfs/dbraw/zinc/06/11/01/627061101.db2.gz UOPMWKPDONFQOT-UHFFFAOYSA-N 1 0 302.443 3.431 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@](C)(O)C(F)F ZINC000885940544 627065170 /nfs/dbraw/zinc/06/51/70/627065170.db2.gz MAZIUVFKHZZODO-QGZVFWFLSA-N 1 0 312.404 3.125 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(Cl)cn3)C2)cc1 ZINC000886155652 627114350 /nfs/dbraw/zinc/11/43/50/627114350.db2.gz LGHXCBLNVYZPKB-HNNXBMFYSA-N 1 0 317.820 3.112 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@]1(C)CCOC2(CCC2)C1 ZINC000886344813 627141066 /nfs/dbraw/zinc/14/10/66/627141066.db2.gz LSVOESVAXPPVDW-QGZVFWFLSA-N 1 0 305.418 3.230 20 10 DGCDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1F ZINC000886350447 627141445 /nfs/dbraw/zinc/14/14/45/627141445.db2.gz VAZSXWGXIFOQDV-UHFFFAOYSA-N 1 0 321.323 3.424 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2F)c(O)c1 ZINC000886674619 627186849 /nfs/dbraw/zinc/18/68/49/627186849.db2.gz OKXRJQHQDLCKAI-HOCLYGCPSA-N 1 0 317.404 3.402 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1 ZINC000886771038 627203002 /nfs/dbraw/zinc/20/30/02/627203002.db2.gz BPTYPNGDXYYMJA-XZLOLGPPSA-N 1 0 319.445 3.324 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1ccccc1O ZINC000886772225 627203351 /nfs/dbraw/zinc/20/33/51/627203351.db2.gz VMCZSGACFBXPFK-OKVDMCGNSA-N 1 0 319.445 3.406 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000222084131 627234312 /nfs/dbraw/zinc/23/43/12/627234312.db2.gz XUVJTMGAYUNATF-AWEZNQCLSA-N 1 0 322.449 3.397 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC000811510348 627285011 /nfs/dbraw/zinc/28/50/11/627285011.db2.gz CWLZGXJRXRSPDZ-SJORKVTESA-N 1 0 305.418 3.180 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1F ZINC000811510698 627285054 /nfs/dbraw/zinc/28/50/54/627285054.db2.gz NDUZHVXQCAPQFU-IAGOWNOFSA-N 1 0 306.425 3.281 20 10 DGCDRO Cc1[nH+]c2ccccc2c(NCCc2ccc(O)c(O)c2)c1C ZINC000811810838 627323810 /nfs/dbraw/zinc/32/38/10/627323810.db2.gz FGDVGIAPEWQNRH-UHFFFAOYSA-N 1 0 308.381 3.339 20 10 DGCDRO CCCn1nc(C)c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1C ZINC000813330723 627478898 /nfs/dbraw/zinc/47/88/98/627478898.db2.gz FFLVNTDFUKBCLQ-LBPRGKRZSA-N 1 0 317.433 3.475 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1F ZINC000814178220 627547183 /nfs/dbraw/zinc/54/71/83/627547183.db2.gz HUURNVMDUGRNTM-INIZCTEOSA-N 1 0 306.425 3.140 20 10 DGCDRO COC(=O)CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)CC(C)C ZINC000815029080 627617733 /nfs/dbraw/zinc/61/77/33/627617733.db2.gz NEZCIKDKAQEVCB-UHFFFAOYSA-N 1 0 306.450 3.082 20 10 DGCDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC000815059836 627620604 /nfs/dbraw/zinc/62/06/04/627620604.db2.gz IBFDPUULYYSQCG-MSOLQXFVSA-N 1 0 301.478 3.120 20 10 DGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815070934 627622340 /nfs/dbraw/zinc/62/23/40/627622340.db2.gz APJVSZIONUVRRC-LPHOPBHVSA-N 1 0 303.494 3.223 20 10 DGCDRO Cc1cc(C[NH2+][C@H](CO)c2cccc(F)c2)ccc1N(C)C ZINC000815087607 627624381 /nfs/dbraw/zinc/62/43/81/627624381.db2.gz WVNZGXQKVQWZHZ-QGZVFWFLSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](CCO)C2CCCCC2)ccc1N(C)C ZINC000815084289 627624428 /nfs/dbraw/zinc/62/44/28/627624428.db2.gz ZZRICJTYLAQVIA-SFHVURJKSA-N 1 0 304.478 3.482 20 10 DGCDRO CCN(C)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000815118166 627630086 /nfs/dbraw/zinc/63/00/86/627630086.db2.gz LALUBYPZQTYZKZ-QFBILLFUSA-N 1 0 301.478 3.201 20 10 DGCDRO Cc1cc(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1N(C)C ZINC000815120491 627630985 /nfs/dbraw/zinc/63/09/85/627630985.db2.gz JZNWXFFRTZBKHU-INIZCTEOSA-N 1 0 315.505 3.367 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]CC[C@H](C)F)c1O ZINC000815148988 627637745 /nfs/dbraw/zinc/63/77/45/627637745.db2.gz SZEUYHDCHHJCIH-QMMMGPOBSA-N 1 0 306.175 3.001 20 10 DGCDRO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924650392 627662577 /nfs/dbraw/zinc/66/25/77/627662577.db2.gz XWRYRZKGDYZICH-RTBURBONSA-N 1 0 302.462 3.438 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815578310 627686772 /nfs/dbraw/zinc/68/67/72/627686772.db2.gz LWGFLJHDTZDPHS-NWDGAFQWSA-N 1 0 316.367 3.403 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815578311 627686863 /nfs/dbraw/zinc/68/68/63/627686863.db2.gz LWGFLJHDTZDPHS-RYUDHWBXSA-N 1 0 316.367 3.403 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCOC[C@@H]2CCOC2)c(O)c1 ZINC000815582254 627687594 /nfs/dbraw/zinc/68/75/94/627687594.db2.gz BDLRYPPQFJWQND-HOTGVXAUSA-N 1 0 307.434 3.103 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c(O)c1 ZINC000815596551 627688884 /nfs/dbraw/zinc/68/88/84/627688884.db2.gz XOQKQNKCLNVQEV-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)ccc21 ZINC000924870945 627689147 /nfs/dbraw/zinc/68/91/47/627689147.db2.gz MNWLDVXWGQLWMV-UYAOXDASSA-N 1 0 314.473 3.364 20 10 DGCDRO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000924871435 627689364 /nfs/dbraw/zinc/68/93/64/627689364.db2.gz NEUHAMPXZLVLQI-QZTJIDSGSA-N 1 0 302.462 3.220 20 10 DGCDRO C[C@H]([NH3+])[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000925530552 627748941 /nfs/dbraw/zinc/74/89/41/627748941.db2.gz DTMNSVGAUJNSAK-MGPUTAFESA-N 1 0 309.457 3.247 20 10 DGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000816515147 627800783 /nfs/dbraw/zinc/80/07/83/627800783.db2.gz QTDQMNAASIYZEI-YPMHNXCESA-N 1 0 314.832 3.489 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000816521120 627801451 /nfs/dbraw/zinc/80/14/51/627801451.db2.gz HQRBEIMHAWYDPV-RYUDHWBXSA-N 1 0 313.800 3.433 20 10 DGCDRO CCC[NH+]1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816548957 627806135 /nfs/dbraw/zinc/80/61/35/627806135.db2.gz YIRROYRXGIOCBM-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816598618 627813581 /nfs/dbraw/zinc/81/35/81/627813581.db2.gz JUBIFOVZTNVTCU-ZBFHGGJFSA-N 1 0 313.397 3.367 20 10 DGCDRO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816600055 627813735 /nfs/dbraw/zinc/81/37/35/627813735.db2.gz JECOKVPUIYNTBQ-UHFFFAOYSA-N 1 0 310.401 3.182 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H](C)[S@]1=O ZINC000816608816 627814282 /nfs/dbraw/zinc/81/42/82/627814282.db2.gz KEOGOYBZQDJKHQ-JWCWZOIMSA-N 1 0 317.454 3.277 20 10 DGCDRO COc1cccc(C[NH2+]Cc2conc2Cc2ccccc2)c1O ZINC000816610193 627815005 /nfs/dbraw/zinc/81/50/05/627815005.db2.gz BHCGJCZRELYSRS-UHFFFAOYSA-N 1 0 324.380 3.269 20 10 DGCDRO Cn1nc2c(c1C[NH2+]Cc1ccc3ccccc3c1O)CCCC2 ZINC000816616055 627815078 /nfs/dbraw/zinc/81/50/78/627815078.db2.gz NFVKHQLLMXFDCH-UHFFFAOYSA-N 1 0 321.424 3.448 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000816647873 627820212 /nfs/dbraw/zinc/82/02/12/627820212.db2.gz ZHCALMXNIDPVJY-ZIAGYGMSSA-N 1 0 303.406 3.425 20 10 DGCDRO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)N1C ZINC000816653057 627820910 /nfs/dbraw/zinc/82/09/10/627820910.db2.gz DJSDKGLXIXNZAY-CALCHBBNSA-N 1 0 301.478 3.201 20 10 DGCDRO COc1cc(CN(C)C[C@H]2CCC[N@@H+]2C)c(O)c(C(C)(C)C)c1 ZINC000817372488 627891204 /nfs/dbraw/zinc/89/12/04/627891204.db2.gz IYBFCPVDWDHLGO-OAHLLOKOSA-N 1 0 320.477 3.224 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@@H](CC)C2)ccc1OC ZINC000817413970 627896076 /nfs/dbraw/zinc/89/60/76/627896076.db2.gz AXOIHBMTKGVYRG-IRXDYDNUSA-N 1 0 307.434 3.279 20 10 DGCDRO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1O ZINC000817412429 627896351 /nfs/dbraw/zinc/89/63/51/627896351.db2.gz KYLFNLAHHLOWRH-ZFWWWQNUSA-N 1 0 305.418 3.334 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000817419640 627898296 /nfs/dbraw/zinc/89/82/96/627898296.db2.gz VQKXQLINIAYUAE-AJNOYIKESA-N 1 0 302.462 3.250 20 10 DGCDRO COc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)on1 ZINC000926595216 627919787 /nfs/dbraw/zinc/91/97/87/627919787.db2.gz HHTMVBXPGSIQKY-KBPBESRZSA-N 1 0 317.433 3.339 20 10 DGCDRO CON1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000817586480 627926574 /nfs/dbraw/zinc/92/65/74/627926574.db2.gz OSRVOWJJFNILTG-MRXNPFEDSA-N 1 0 317.477 3.353 20 10 DGCDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000817938029 627966709 /nfs/dbraw/zinc/96/67/09/627966709.db2.gz BRQWZFFBYHFRBP-UXHICEINSA-N 1 0 309.457 3.338 20 10 DGCDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000817938031 627966838 /nfs/dbraw/zinc/96/68/38/627966838.db2.gz BRQWZFFBYHFRBP-WOJBJXKFSA-N 1 0 309.457 3.338 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000817939097 627967464 /nfs/dbraw/zinc/96/74/64/627967464.db2.gz YVTNBBNCUWOFDW-FZKQIMNGSA-N 1 0 301.409 3.242 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCc3c2cccc3F)cc1 ZINC000817938974 627967643 /nfs/dbraw/zinc/96/76/43/627967643.db2.gz WQVJFQPUHLHANZ-RBUKOAKNSA-N 1 0 313.420 3.169 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCNCc2cccnc2)c(O)c1 ZINC000817941334 627968532 /nfs/dbraw/zinc/96/85/32/627968532.db2.gz SWHQYKGBWYZYOH-INIZCTEOSA-N 1 0 313.445 3.235 20 10 DGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1F ZINC000817940448 627968558 /nfs/dbraw/zinc/96/85/58/627968558.db2.gz GIRSGXAIQINSEX-SJKOYZFVSA-N 1 0 319.399 3.381 20 10 DGCDRO Cc1nc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)s1 ZINC000817940652 627968929 /nfs/dbraw/zinc/96/89/29/627968929.db2.gz GKZGXMPSMZLZTI-BDJLRTHQSA-N 1 0 318.490 3.177 20 10 DGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCCNC1 ZINC000817942105 627968981 /nfs/dbraw/zinc/96/89/81/627968981.db2.gz WTVRFSKNTMIUPH-IEBWSBKVSA-N 1 0 310.441 3.408 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCCNc3ccccc32)cc1 ZINC000817944336 627969365 /nfs/dbraw/zinc/96/93/65/627969365.db2.gz ZIAJYPZQWCDBEU-ICSRJNTNSA-N 1 0 324.472 3.289 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H](c2cccnc2)C2CCC2)cc1 ZINC000817943261 627969418 /nfs/dbraw/zinc/96/94/18/627969418.db2.gz SXJZCELRPOIATI-UXHICEINSA-N 1 0 324.472 3.278 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000817942604 627970005 /nfs/dbraw/zinc/97/00/05/627970005.db2.gz PWBBQWVDUSEMOG-PMACEKPBSA-N 1 0 309.457 3.493 20 10 DGCDRO CC(C)[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817944145 627970083 /nfs/dbraw/zinc/97/00/83/627970083.db2.gz XOZWQGRAHZERDQ-RBUKOAKNSA-N 1 0 312.461 3.134 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945655 627970757 /nfs/dbraw/zinc/97/07/57/627970757.db2.gz IVJZLNXFFCYUBO-ZJUUUORDSA-N 1 0 303.233 3.349 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)cc1[O-] ZINC000817949704 627972779 /nfs/dbraw/zinc/97/27/79/627972779.db2.gz SIKHYMIJBZFTEU-QGZVFWFLSA-N 1 0 302.393 3.273 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817954223 627973042 /nfs/dbraw/zinc/97/30/42/627973042.db2.gz WGPJMZHPZUWCJD-GWCFXTLKSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@H](NCC[NH2+]C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817953582 627973092 /nfs/dbraw/zinc/97/30/92/627973092.db2.gz OPTZAKZKTDMQBR-INIZCTEOSA-N 1 0 301.478 3.470 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817954225 627973174 /nfs/dbraw/zinc/97/31/74/627973174.db2.gz WGPJMZHPZUWCJD-GXFFZTMASA-N 1 0 303.233 3.492 20 10 DGCDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(N)cc1)CCCO2 ZINC000817955469 627973903 /nfs/dbraw/zinc/97/39/03/627973903.db2.gz BPMLCGSZUILSLW-SFHVURJKSA-N 1 0 312.413 3.323 20 10 DGCDRO COC[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc(Cl)c1 ZINC000817958418 627974743 /nfs/dbraw/zinc/97/47/43/627974743.db2.gz VNNCHUQFNUGCMD-QGZVFWFLSA-N 1 0 304.821 3.442 20 10 DGCDRO C[C@H](N[C@@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817960337 627975674 /nfs/dbraw/zinc/97/56/74/627975674.db2.gz MEDDDHKQAIFTFB-GUYCJALGSA-N 1 0 305.441 3.204 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817964487 627976817 /nfs/dbraw/zinc/97/68/17/627976817.db2.gz AGVVBOARGCIGBL-VXGBXAGGSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817967209 627977466 /nfs/dbraw/zinc/97/74/66/627977466.db2.gz FOCKMFTUGGSIET-RVKKMQEKSA-N 1 0 319.468 3.465 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817968261 627978606 /nfs/dbraw/zinc/97/86/06/627978606.db2.gz IUMXROXXCSAALO-UWVGGRQHSA-N 1 0 303.233 3.492 20 10 DGCDRO CC[NH2+][C@H](C)CN[C@@H](CC)c1cc(Br)ccc1O ZINC000817972014 627979687 /nfs/dbraw/zinc/97/96/87/627979687.db2.gz JFTCEYRVLNORGP-MFKMUULPSA-N 1 0 315.255 3.193 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970789 627980098 /nfs/dbraw/zinc/98/00/98/627980098.db2.gz FGLPYRMPUWVQGA-VDDIYKPWSA-N 1 0 303.233 3.348 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817971804 627980227 /nfs/dbraw/zinc/98/02/27/627980227.db2.gz QDQJFYTXGFMRHY-KXUCPTDWSA-N 1 0 303.233 3.490 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000817977955 627981941 /nfs/dbraw/zinc/98/19/41/627981941.db2.gz RZECQHZIVXWATG-DTWKUNHWSA-N 1 0 319.218 3.072 20 10 DGCDRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1O ZINC000817981060 627982313 /nfs/dbraw/zinc/98/23/13/627982313.db2.gz PKFOQNNQCIKJRW-LDYMZIIASA-N 1 0 324.293 3.059 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1 ZINC000926923593 627982848 /nfs/dbraw/zinc/98/28/48/627982848.db2.gz WRWQQGNPDBHZJH-OLZOCXBDSA-N 1 0 316.367 3.378 20 10 DGCDRO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817983509 627983082 /nfs/dbraw/zinc/98/30/82/627983082.db2.gz FPJVKDWWVBFBLY-FUHWJXTLSA-N 1 0 301.478 3.470 20 10 DGCDRO C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817985703 627983087 /nfs/dbraw/zinc/98/30/87/627983087.db2.gz MYGBCFPWVZGRRH-LLVKDONJSA-N 1 0 314.351 3.371 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)c(O)c1 ZINC000926929325 627984213 /nfs/dbraw/zinc/98/42/13/627984213.db2.gz UVZOEYBNHHEJSB-JTQLQIEISA-N 1 0 313.323 3.304 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(N(C)C)cc1 ZINC000926940265 627985767 /nfs/dbraw/zinc/98/57/67/627985767.db2.gz JGZPAFAVHKIVNZ-OGWHTMIXSA-N 1 0 300.446 3.384 20 10 DGCDRO C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc2ccccc2c1O ZINC000926999831 627994805 /nfs/dbraw/zinc/99/48/05/627994805.db2.gz DYDQMJURKFTPIQ-ZDUSSCGKSA-N 1 0 313.397 3.349 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccncc3)C2)cc1 ZINC000818115750 627997227 /nfs/dbraw/zinc/99/72/27/627997227.db2.gz CKOGOACPBLAUBU-HOTGVXAUSA-N 1 0 311.429 3.267 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c(O)c1C ZINC000927012948 627997475 /nfs/dbraw/zinc/99/74/75/627997475.db2.gz HXSIYBVSTVZUPB-HZPDHXFCSA-N 1 0 319.445 3.388 20 10 DGCDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000927016145 627997810 /nfs/dbraw/zinc/99/78/10/627997810.db2.gz HRZNSJQUULFBKP-ZYHUDNBSSA-N 1 0 316.239 3.356 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000818222882 628006726 /nfs/dbraw/zinc/00/67/26/628006726.db2.gz XNNIDEAFRIRAEM-LSDHHAIUSA-N 1 0 306.475 3.007 20 10 DGCDRO C[C@@H]([NH2+]CCOC1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000927080509 628009253 /nfs/dbraw/zinc/00/92/53/628009253.db2.gz TWIWFYYMLLYVQY-CQSZACIVSA-N 1 0 319.445 3.117 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3nccs3)C2)cc1 ZINC000818343224 628015536 /nfs/dbraw/zinc/01/55/36/628015536.db2.gz ZRHUJVOSQBDAIY-ZIAGYGMSSA-N 1 0 317.458 3.329 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)n(C)n2)c2c1c(F)ccc2O ZINC000927109884 628017009 /nfs/dbraw/zinc/01/70/09/628017009.db2.gz ZIYSBEZHDAKLLV-IINYFYTJSA-N 1 0 315.392 3.480 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)c1ncc(C(=O)OC)s1)c1ccccc1O ZINC000818355061 628017253 /nfs/dbraw/zinc/01/72/53/628017253.db2.gz BBRSOCHCDKVFMA-CMPLNLGQSA-N 1 0 320.414 3.437 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)c(C)c1OC ZINC000927121114 628020902 /nfs/dbraw/zinc/02/09/02/628020902.db2.gz CILVKNZZUQWIRI-HNNXBMFYSA-N 1 0 313.397 3.495 20 10 DGCDRO C[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)C3CC3)cc2Cl)C1 ZINC000819290786 628128007 /nfs/dbraw/zinc/12/80/07/628128007.db2.gz MHXMYVLCGQSGBV-SCLBCKFNSA-N 1 0 322.880 3.437 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000821392500 628363197 /nfs/dbraw/zinc/36/31/97/628363197.db2.gz ZYNLLCBCRUHMJX-OAHLLOKOSA-N 1 0 318.461 3.109 20 10 DGCDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823665844 628584834 /nfs/dbraw/zinc/58/48/34/628584834.db2.gz AWEJGEHDJQMMDD-BBRMVZONSA-N 1 0 308.516 3.081 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCN2CCC2)cc1 ZINC000824023805 628619194 /nfs/dbraw/zinc/61/91/94/628619194.db2.gz YFKIBRGZXWDOFI-UHFFFAOYSA-N 1 0 315.486 3.180 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]CC[C@H]1CCc3ccccc31)OCO2 ZINC000824549085 628669499 /nfs/dbraw/zinc/66/94/99/628669499.db2.gz YDNBFGOWBVLWOA-CQSZACIVSA-N 1 0 311.381 3.331 20 10 DGCDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000824798611 628694577 /nfs/dbraw/zinc/69/45/77/628694577.db2.gz GFJDILMKUXHDMC-CRAIPNDOSA-N 1 0 308.441 3.433 20 10 DGCDRO CC[C@H]([NH2+]C(COC)COC)c1ccc(C(F)(F)F)cc1O ZINC000824925740 628707692 /nfs/dbraw/zinc/70/76/92/628707692.db2.gz DUEJWJVPFAHVLK-ZDUSSCGKSA-N 1 0 321.339 3.113 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1OC ZINC000824941589 628709434 /nfs/dbraw/zinc/70/94/34/628709434.db2.gz PVIOLQCYPLBGTG-KDOFPFPSSA-N 1 0 303.402 3.030 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1C ZINC000825086881 628726395 /nfs/dbraw/zinc/72/63/95/628726395.db2.gz WKZXWYPJYZKJGM-VQIMIIECSA-N 1 0 312.413 3.409 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825113480 628729239 /nfs/dbraw/zinc/72/92/39/628729239.db2.gz DVWZFWSLUSDXBX-UHFFFAOYSA-N 1 0 312.841 3.092 20 10 DGCDRO c1cc(NCc2ccc(N3CCOCC3)cc2)[nH+]c2c1CCC2 ZINC000825124502 628730365 /nfs/dbraw/zinc/73/03/65/628730365.db2.gz RFYXNWRYPZECRL-UHFFFAOYSA-N 1 0 309.413 3.019 20 10 DGCDRO CC1(C2([NH2+]Cc3ccc(N4CCOCC4)c(F)c3)CC2)CC1 ZINC000825124678 628730587 /nfs/dbraw/zinc/73/05/87/628730587.db2.gz VXMSSHLAQNSICG-UHFFFAOYSA-N 1 0 304.409 3.085 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)COCC(F)(F)F)cc1Cl ZINC000825150896 628732919 /nfs/dbraw/zinc/73/29/19/628732919.db2.gz LQRIJQKAPREEON-VIFPVBQESA-N 1 0 311.731 3.411 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccncc1 ZINC000825325788 628749739 /nfs/dbraw/zinc/74/97/39/628749739.db2.gz JVIRRTUZTMEZQR-NSHDSACASA-N 1 0 321.218 3.443 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1ccccc1O ZINC000825328131 628750495 /nfs/dbraw/zinc/75/04/95/628750495.db2.gz YMYXRSXRPADSSO-KMFMINBZSA-N 1 0 315.417 3.087 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@H]1CCCO1 ZINC000825391519 628756933 /nfs/dbraw/zinc/75/69/33/628756933.db2.gz XOERRIIHWYDULO-GXTWGEPZSA-N 1 0 314.223 3.202 20 10 DGCDRO C[C@@H]1CSCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825693149 628786448 /nfs/dbraw/zinc/78/64/48/628786448.db2.gz UKRCCMNSMKFIHO-JTQLQIEISA-N 1 0 316.264 3.340 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cnc3n2CCCC3)cc1Cl ZINC000825843104 628802330 /nfs/dbraw/zinc/80/23/30/628802330.db2.gz MIKFGQCYYZJXQG-UHFFFAOYSA-N 1 0 305.809 3.177 20 10 DGCDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)c(C)cc4O)[C@H]1[C@H]3C2 ZINC000825884776 628806691 /nfs/dbraw/zinc/80/66/91/628806691.db2.gz ACRVPAVFBXWUFS-SKRAFVOUSA-N 1 0 307.821 3.209 20 10 DGCDRO Cc1nccn1CCC[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825928250 628810960 /nfs/dbraw/zinc/81/09/60/628810960.db2.gz PFOZKDAKKVVQJU-UHFFFAOYSA-N 1 0 307.825 3.381 20 10 DGCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000825942856 628813171 /nfs/dbraw/zinc/81/31/71/628813171.db2.gz MQZUPHFHAMJPDF-ZWKOTPCHSA-N 1 0 317.477 3.009 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c(OC)n1 ZINC000825955954 628814644 /nfs/dbraw/zinc/81/46/44/628814644.db2.gz UXVORQKNFZRDND-UHFFFAOYSA-N 1 0 322.792 3.056 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl ZINC000826048659 628823199 /nfs/dbraw/zinc/82/31/99/628823199.db2.gz JSPBXGZXTCHCEB-BMFZPTHFSA-N 1 0 309.837 3.479 20 10 DGCDRO COc1cc(C[NH+]2CC3(C2)CCOCC3)c(O)c(C(C)(C)C)c1 ZINC000826113092 628829597 /nfs/dbraw/zinc/82/95/97/628829597.db2.gz IBYKWAJBPJLVKS-UHFFFAOYSA-N 1 0 319.445 3.311 20 10 DGCDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000826910311 628902417 /nfs/dbraw/zinc/90/24/17/628902417.db2.gz FAQMZXHRGSWXDX-DMPWYTOCSA-N 1 0 317.454 3.325 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC000827640357 628979004 /nfs/dbraw/zinc/97/90/04/628979004.db2.gz VWMRJDASJWJJSM-GOSISDBHSA-N 1 0 313.397 3.444 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]CCCc1ccco1 ZINC000827675173 628982065 /nfs/dbraw/zinc/98/20/65/628982065.db2.gz ZXFPVKJKTIAMQW-UHFFFAOYSA-N 1 0 310.191 3.470 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(OCC)cc1O ZINC000827750527 628988087 /nfs/dbraw/zinc/98/80/87/628988087.db2.gz IPDSLTVUSLSLKQ-FUHWJXTLSA-N 1 0 321.417 3.002 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cc(OCC)ccc1O ZINC000827752137 628988630 /nfs/dbraw/zinc/98/86/30/628988630.db2.gz ZGZVYPZLKOQJLL-SJLPKXTDSA-N 1 0 321.417 3.002 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cccc(CC)c1O ZINC000827751514 628988633 /nfs/dbraw/zinc/98/86/33/628988633.db2.gz VVXSSGNSPDTBNW-CRAIPNDOSA-N 1 0 305.418 3.166 20 10 DGCDRO Cc1cccc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)c1O ZINC000827757897 628988981 /nfs/dbraw/zinc/98/89/81/628988981.db2.gz PRLFZRQAEKNIMR-UHFFFAOYSA-N 1 0 305.418 3.302 20 10 DGCDRO Cc1cc(C[N@H+](CCCO)C2CC2)ccc1N1CCCCC1 ZINC000827851582 628997340 /nfs/dbraw/zinc/99/73/40/628997340.db2.gz FTAGESYCPAUXEA-UHFFFAOYSA-N 1 0 302.462 3.332 20 10 DGCDRO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1O ZINC000827937052 629005541 /nfs/dbraw/zinc/00/55/41/629005541.db2.gz JDTVPRLFKHPCNR-CABCVRRESA-N 1 0 316.445 3.224 20 10 DGCDRO C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000827970171 629009770 /nfs/dbraw/zinc/00/97/70/629009770.db2.gz YMFABPCRPNGCKI-WMLDXEAASA-N 1 0 312.413 3.262 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000828144571 629027544 /nfs/dbraw/zinc/02/75/44/629027544.db2.gz GBYZCPBFMPHQGV-UHFFFAOYSA-N 1 0 310.397 3.048 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ncc(C)cc2C)c1 ZINC000828155232 629028438 /nfs/dbraw/zinc/02/84/38/629028438.db2.gz KNVCKJNXSXWHTP-AWEZNQCLSA-N 1 0 300.402 3.306 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(F)F)C3)cc2)CC1 ZINC000828545215 629065869 /nfs/dbraw/zinc/06/58/69/629065869.db2.gz OGHUTFHLUFIPHK-OAHLLOKOSA-N 1 0 324.415 3.389 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)C(C)C ZINC000828802832 629094668 /nfs/dbraw/zinc/09/46/68/629094668.db2.gz QCQRJMIIAUITBT-IBGZPJMESA-N 1 0 320.477 3.062 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1N(C)C ZINC000828910095 629108416 /nfs/dbraw/zinc/10/84/16/629108416.db2.gz CNIIEXLQEQSRCI-HKUYNNGSSA-N 1 0 302.462 3.452 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000831322633 629362825 /nfs/dbraw/zinc/36/28/25/629362825.db2.gz XJMSASLOJFWCBS-XKQJLSEDSA-N 1 0 321.392 3.027 20 10 DGCDRO Cc1nc(C[NH2+][C@H]2CCc3cccc(O)c32)nc2ccccc12 ZINC000834558228 629728358 /nfs/dbraw/zinc/72/83/58/629728358.db2.gz CYZKPRHBJAYSMS-INIZCTEOSA-N 1 0 305.381 3.421 20 10 DGCDRO CC(C)c1noc(CCC[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000834558204 629728544 /nfs/dbraw/zinc/72/85/44/629728544.db2.gz BUISUPKOCOQAKA-ZDUSSCGKSA-N 1 0 301.390 3.108 20 10 DGCDRO CN(CC[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccc(F)cc1 ZINC000834616255 629740621 /nfs/dbraw/zinc/74/06/21/629740621.db2.gz MSTSHDFQAWAIEQ-KRWDZBQOSA-N 1 0 314.404 3.240 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCOc1ccc(F)c(F)c1)CC2 ZINC000834639785 629745407 /nfs/dbraw/zinc/74/54/07/629745407.db2.gz BJCQPNWTRHSUEQ-OAHLLOKOSA-N 1 0 305.324 3.326 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)CC2 ZINC000834668805 629752429 /nfs/dbraw/zinc/75/24/29/629752429.db2.gz OBXMJKXZIBPUNL-GOEBONIOSA-N 1 0 303.789 3.356 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@H]1COc3ccccc3O1)CC2 ZINC000834685512 629757412 /nfs/dbraw/zinc/75/74/12/629757412.db2.gz YNXJNBFIANJURI-GJZGRUSLSA-N 1 0 311.381 3.199 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)c(N2CCCC2)n1 ZINC000834761739 629774633 /nfs/dbraw/zinc/77/46/33/629774633.db2.gz UNZNYQNRATXYJS-KRWDZBQOSA-N 1 0 323.440 3.473 20 10 DGCDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000834880487 629795963 /nfs/dbraw/zinc/79/59/63/629795963.db2.gz GFMYCZGXYFPQSW-DDUZABMNSA-N 1 0 315.413 3.248 20 10 DGCDRO CC[C@](C)(C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000834881598 629796448 /nfs/dbraw/zinc/79/64/48/629796448.db2.gz AYYMLBSVWYOCRE-RDTXWAMCSA-N 1 0 324.440 3.128 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000834896297 629800899 /nfs/dbraw/zinc/80/08/99/629800899.db2.gz JXXOACPWINZWKK-UONOGXRCSA-N 1 0 313.445 3.286 20 10 DGCDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000834896295 629801014 /nfs/dbraw/zinc/80/10/14/629801014.db2.gz JXXOACPWINZWKK-KBPBESRZSA-N 1 0 313.445 3.286 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccccn3)n[nH]2)c(O)c1C ZINC000834904333 629804725 /nfs/dbraw/zinc/80/47/25/629804725.db2.gz OWIYCYUTMJBUEY-ZDUSSCGKSA-N 1 0 323.400 3.040 20 10 DGCDRO CC[C@H]([NH2+]CCc1cnc(C)cn1)c1cc(Cl)ccc1O ZINC000834908030 629805604 /nfs/dbraw/zinc/80/56/04/629805604.db2.gz GMVSVKASIPYXPF-HNNXBMFYSA-N 1 0 305.809 3.427 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CCc3cccc(O)c32)cc1C ZINC000834910139 629806977 /nfs/dbraw/zinc/80/69/77/629806977.db2.gz FRFVTJLHHOOLIW-ROUUACIJSA-N 1 0 311.425 3.190 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(Br)cc1O ZINC000834915702 629808272 /nfs/dbraw/zinc/80/82/72/629808272.db2.gz SAKSKZRZLNNRLQ-JFGNBEQYSA-N 1 0 314.223 3.373 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000835026207 629827480 /nfs/dbraw/zinc/82/74/80/629827480.db2.gz SEFLBXDXDNVXAX-IDOMTICXSA-N 1 0 300.446 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000835025807 629828129 /nfs/dbraw/zinc/82/81/29/629828129.db2.gz NPLVQYMPIUPLEF-NJELEJDNSA-N 1 0 310.445 3.369 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000835028303 629829278 /nfs/dbraw/zinc/82/92/78/629829278.db2.gz LVSIJBNQAPSYQW-ONEGZZNKSA-N 1 0 300.446 3.268 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000835033477 629829994 /nfs/dbraw/zinc/82/99/94/629829994.db2.gz UIZASSGXUUQCSG-GNAXCBTBSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)c2cccc(F)c2)cc1 ZINC000835034358 629830302 /nfs/dbraw/zinc/83/03/02/629830302.db2.gz AHUATHUPHXMSNK-PXPVJAHISA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000835038909 629830973 /nfs/dbraw/zinc/83/09/73/629830973.db2.gz ZKEATWMGWUGNCX-MNVMYWNISA-N 1 0 308.425 3.014 20 10 DGCDRO C[C@@H](COCC(F)(F)F)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036562 629831301 /nfs/dbraw/zinc/83/13/01/629831301.db2.gz LUQPVPHPXUQSFJ-IHVVCDCBSA-N 1 0 316.367 3.323 20 10 DGCDRO CC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H](O)C(F)(F)F ZINC000835042045 629833027 /nfs/dbraw/zinc/83/30/27/629833027.db2.gz QJTPLVSVVJDIEX-WHJWBVKISA-N 1 0 316.367 3.057 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000835043462 629833213 /nfs/dbraw/zinc/83/32/13/629833213.db2.gz RDTRKMWPNFLIFQ-IVZVJUQRSA-N 1 0 300.446 3.457 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000835043688 629833735 /nfs/dbraw/zinc/83/37/35/629833735.db2.gz BETYYTFYLZVMTM-LOYZYROESA-N 1 0 302.462 3.249 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2nn(C)c3ccccc23)cc1 ZINC000835048562 629835364 /nfs/dbraw/zinc/83/53/64/629835364.db2.gz VGFZPRRPROVMOL-SREVYHEPSA-N 1 0 320.440 3.442 20 10 DGCDRO CO[C@H](CC[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(F)(F)F ZINC000835049426 629836439 /nfs/dbraw/zinc/83/64/39/629836439.db2.gz DNGCKJOCCXAQRL-FOSCPCJNSA-N 1 0 316.367 3.323 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC000835049378 629836552 /nfs/dbraw/zinc/83/65/52/629836552.db2.gz DIZPTYWAVZOOHS-MUPIXQSSSA-N 1 0 324.468 3.267 20 10 DGCDRO Cc1ncsc1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835053463 629837886 /nfs/dbraw/zinc/83/78/86/629837886.db2.gz CQDFNXHMKDXCSJ-SNAWJCMRSA-N 1 0 301.459 3.363 20 10 DGCDRO CC1(C)CC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840756839 630356061 /nfs/dbraw/zinc/35/60/61/630356061.db2.gz DBAHBFVQRJFYSM-OAHLLOKOSA-N 1 0 310.388 3.080 20 10 DGCDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000840808367 630360914 /nfs/dbraw/zinc/36/09/14/630360914.db2.gz KAXWRCZCKLLSHA-ZBFHGGJFSA-N 1 0 315.413 3.136 20 10 DGCDRO C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1ccccc1O ZINC000840862782 630369120 /nfs/dbraw/zinc/36/91/20/630369120.db2.gz IEXGTHVADSGDEB-DZGCQCFKSA-N 1 0 314.385 3.163 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H]3CC3(F)F)CC2)cc1 ZINC000840879175 630371277 /nfs/dbraw/zinc/37/12/77/630371277.db2.gz LIOQALOSDZISEA-LRDDRELGSA-N 1 0 310.388 3.297 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000840895034 630373861 /nfs/dbraw/zinc/37/38/61/630373861.db2.gz UXDAOZGPAHJPGV-CABCVRRESA-N 1 0 300.450 3.076 20 10 DGCDRO Cc1cc([C@H](C)[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)n(C)n1 ZINC000840895544 630374531 /nfs/dbraw/zinc/37/45/31/630374531.db2.gz ZSPMJUNRYZYCSF-ZBFHGGJFSA-N 1 0 314.477 3.385 20 10 DGCDRO Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)n(C)n1 ZINC000840895541 630374564 /nfs/dbraw/zinc/37/45/64/630374564.db2.gz ZSPMJUNRYZYCSF-GDBMZVCRSA-N 1 0 314.477 3.385 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc3c2OCCO3)c(Cl)c1 ZINC000840900073 630374597 /nfs/dbraw/zinc/37/45/97/630374597.db2.gz UIDVDIDMKHGKEA-UHFFFAOYSA-N 1 0 319.788 3.415 20 10 DGCDRO Cc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)n(C)n1 ZINC000840895543 630374705 /nfs/dbraw/zinc/37/47/05/630374705.db2.gz ZSPMJUNRYZYCSF-HOCLYGCPSA-N 1 0 314.477 3.385 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCc2cnc(C3CC3)nc2)c(Cl)c1 ZINC000840906943 630375936 /nfs/dbraw/zinc/37/59/36/630375936.db2.gz LABRXZUCDBMWAD-UHFFFAOYSA-N 1 0 317.820 3.354 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000840918411 630378248 /nfs/dbraw/zinc/37/82/48/630378248.db2.gz GKMSMHFHGBPZOP-GOSISDBHSA-N 1 0 312.461 3.304 20 10 DGCDRO COc1ccccc1OCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840928207 630379365 /nfs/dbraw/zinc/37/93/65/630379365.db2.gz MSQFOFUVIHAMRO-UHFFFAOYSA-N 1 0 314.429 3.238 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000840937966 630380816 /nfs/dbraw/zinc/38/08/16/630380816.db2.gz BBMLWVBVDXSLGQ-IBGZPJMESA-N 1 0 302.462 3.452 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c(Cl)c1 ZINC000840940931 630381193 /nfs/dbraw/zinc/38/11/93/630381193.db2.gz NUNBQKYRDVURKR-CYBMUJFWSA-N 1 0 319.836 3.467 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000840940475 630381219 /nfs/dbraw/zinc/38/12/19/630381219.db2.gz ANMBKNPIIPFFTF-UHFFFAOYSA-N 1 0 302.462 3.093 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000840946583 630381732 /nfs/dbraw/zinc/38/17/32/630381732.db2.gz SFHULAKCPOXEOA-LPHOPBHVSA-N 1 0 301.478 3.120 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000840948719 630382450 /nfs/dbraw/zinc/38/24/50/630382450.db2.gz ICMZKANKRQSWJM-IBGZPJMESA-N 1 0 304.478 3.292 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000840947497 630382518 /nfs/dbraw/zinc/38/25/18/630382518.db2.gz WQQVIELZICYLED-DFNIBXOVSA-N 1 0 301.478 3.118 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000840946585 630382547 /nfs/dbraw/zinc/38/25/47/630382547.db2.gz SFHULAKCPOXEOA-VQIMIIECSA-N 1 0 301.478 3.120 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](c3nccn3C)C2)c(Cl)c1 ZINC000840949136 630382763 /nfs/dbraw/zinc/38/27/63/630382763.db2.gz RCPDMWBLLUBTHQ-GFCCVEGCSA-N 1 0 305.809 3.077 20 10 DGCDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000840956307 630384807 /nfs/dbraw/zinc/38/48/07/630384807.db2.gz MZDRRYOQHOLTIV-IAGOWNOFSA-N 1 0 313.397 3.099 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)ccc1OC ZINC000840962484 630387610 /nfs/dbraw/zinc/38/76/10/630387610.db2.gz DKKBTNRMXMUINI-YCPHGPKFSA-N 1 0 307.434 3.135 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cccc2nccn21 ZINC000840978106 630390034 /nfs/dbraw/zinc/39/00/34/630390034.db2.gz ZXQIXSIFVBSEEM-MRXNPFEDSA-N 1 0 322.456 3.430 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000840975374 630390139 /nfs/dbraw/zinc/39/01/39/630390139.db2.gz GOHHAHOYLOJITN-IBGZPJMESA-N 1 0 313.397 3.321 20 10 DGCDRO COc1ccc(C[C@H](C)C[NH2+]CCc2ccc(N)cc2)cc1F ZINC000841036537 630400001 /nfs/dbraw/zinc/40/00/01/630400001.db2.gz ULIOFWBJGDNTFP-AWEZNQCLSA-N 1 0 316.420 3.427 20 10 DGCDRO COc1ccc(C[C@@H](C)C[NH2+]CCc2ccc(N)cc2)cc1F ZINC000841036538 630400062 /nfs/dbraw/zinc/40/00/62/630400062.db2.gz ULIOFWBJGDNTFP-CQSZACIVSA-N 1 0 316.420 3.427 20 10 DGCDRO Cn1cc(C[NH2+]CCc2ccc(N)cc2)c(C2CCCCC2)n1 ZINC000841036035 630400085 /nfs/dbraw/zinc/40/00/85/630400085.db2.gz SCNXUCMWIYYJGY-UHFFFAOYSA-N 1 0 312.461 3.382 20 10 DGCDRO Cc1ccc(C[NH2+]CCc2ccc(N)cc2)c(-c2cnn(C)c2)c1 ZINC000841038948 630400344 /nfs/dbraw/zinc/40/03/44/630400344.db2.gz VPLPVTVOFDWUPW-UHFFFAOYSA-N 1 0 320.440 3.310 20 10 DGCDRO CCC[NH+]1CCN(c2ccccc2CNc2ccc(N)cc2)CC1 ZINC000841040110 630400615 /nfs/dbraw/zinc/40/06/15/630400615.db2.gz IRJAMHDDXMHDGZ-UHFFFAOYSA-N 1 0 324.472 3.413 20 10 DGCDRO Cc1ccc(C[NH2+]CCc2ccc(N)cc2)c(-c2ccnn2C)c1 ZINC000841039064 630400640 /nfs/dbraw/zinc/40/06/40/630400640.db2.gz ZBGKHUJEUDDSFZ-UHFFFAOYSA-N 1 0 320.440 3.310 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cscc2Cl)cc1 ZINC000841045191 630401136 /nfs/dbraw/zinc/40/11/36/630401136.db2.gz JEUPGDZZGAFDQX-OAHLLOKOSA-N 1 0 309.866 3.257 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000841045810 630401756 /nfs/dbraw/zinc/40/17/56/630401756.db2.gz QOHAQUJQWVHQDV-ZIFCJYIRSA-N 1 0 301.478 3.311 20 10 DGCDRO CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC[NH2+]CC1 ZINC000841056681 630403098 /nfs/dbraw/zinc/40/30/98/630403098.db2.gz IIKQZAZOHGRBNQ-UHFFFAOYSA-N 1 0 303.233 3.178 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2NCCc3ccccc32)c(Cl)c1 ZINC000841066745 630403650 /nfs/dbraw/zinc/40/36/50/630403650.db2.gz GIZSJNMBOUZVSH-QGZVFWFLSA-N 1 0 316.832 3.331 20 10 DGCDRO CCOc1ccc(CN2C[C@@H](C)[NH2+]Cc3ccccc32)c(O)c1 ZINC000841088893 630406810 /nfs/dbraw/zinc/40/68/10/630406810.db2.gz FIGLXDATJOIWQH-CQSZACIVSA-N 1 0 312.413 3.289 20 10 DGCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841299872 630425035 /nfs/dbraw/zinc/42/50/35/630425035.db2.gz JGQQNBWTYIVYMT-AWEZNQCLSA-N 1 0 318.465 3.291 20 10 DGCDRO Nc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000841301851 630425310 /nfs/dbraw/zinc/42/53/10/630425310.db2.gz GCXWPEHSFUSKQX-UHFFFAOYSA-N 1 0 324.428 3.186 20 10 DGCDRO COc1cc(C[NH+]2CCC(OC3CCC3)CC2)c(O)cc1C ZINC000841686561 630454829 /nfs/dbraw/zinc/45/48/29/630454829.db2.gz OPCHEMURQBPKCR-UHFFFAOYSA-N 1 0 305.418 3.243 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000841751999 630462224 /nfs/dbraw/zinc/46/22/24/630462224.db2.gz PWDWZITWMNUHAK-NHYWBVRUSA-N 1 0 323.795 3.439 20 10 DGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(Cl)cc1O ZINC000841752961 630462265 /nfs/dbraw/zinc/46/22/65/630462265.db2.gz DGTCMOCQPXHQEQ-IXBGWNDUSA-N 1 0 319.788 3.191 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](CO)CC2CCCCC2)c1O ZINC000841893866 630474298 /nfs/dbraw/zinc/47/42/98/630474298.db2.gz PWRBPSKJMHMIBQ-MRXNPFEDSA-N 1 0 307.434 3.212 20 10 DGCDRO CO[C@H](CC(C)C)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000842151531 630498916 /nfs/dbraw/zinc/49/89/16/630498916.db2.gz CAIRSNLPGXEIHU-QZTJIDSGSA-N 1 0 321.461 3.434 20 10 DGCDRO CC(C)[C@H](O)C1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000842207643 630505475 /nfs/dbraw/zinc/50/54/75/630505475.db2.gz OOHVKDZCGYKJDY-XFHJGTJQSA-N 1 0 302.462 3.153 20 10 DGCDRO CCN(C[C@H](C[NH3+])c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000842471745 630538580 /nfs/dbraw/zinc/53/85/80/630538580.db2.gz WUFQVNSZJSNZSQ-INIZCTEOSA-N 1 0 314.429 3.273 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)CCC2 ZINC000842612831 630553392 /nfs/dbraw/zinc/55/33/92/630553392.db2.gz OVULVKMNZXYWKX-AEFFLSMTSA-N 1 0 301.430 3.272 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c(O)cc1C ZINC000842644222 630557505 /nfs/dbraw/zinc/55/75/05/630557505.db2.gz DUXVQVZGLUQYKO-AWEZNQCLSA-N 1 0 305.418 3.243 20 10 DGCDRO Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000842660504 630559106 /nfs/dbraw/zinc/55/91/06/630559106.db2.gz KWQXVYQPLLYVON-UHFFFAOYSA-N 1 0 324.428 3.344 20 10 DGCDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000842753749 630571782 /nfs/dbraw/zinc/57/17/82/630571782.db2.gz IXLWSRHKYVISIJ-MFKMUULPSA-N 1 0 316.239 3.041 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)[C@@H]1SC ZINC000842767495 630574055 /nfs/dbraw/zinc/57/40/55/630574055.db2.gz USUZOCVUBRTFLS-BNOWGMLFSA-N 1 0 301.839 3.044 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CO1 ZINC000842776150 630574920 /nfs/dbraw/zinc/57/49/20/630574920.db2.gz SESBLGMBKGKNAL-PWSUYJOCSA-N 1 0 302.340 3.038 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000842885325 630589606 /nfs/dbraw/zinc/58/96/06/630589606.db2.gz NCNBUVBGKICEJV-IRXDYDNUSA-N 1 0 317.477 3.193 20 10 DGCDRO C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843045267 630607593 /nfs/dbraw/zinc/60/75/93/630607593.db2.gz TVSCOJVQRVAVMJ-SFHVURJKSA-N 1 0 301.478 3.108 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000843044786 630607723 /nfs/dbraw/zinc/60/77/23/630607723.db2.gz JFTAFKNSBIQHNR-UYAOXDASSA-N 1 0 315.505 3.497 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045987 630608562 /nfs/dbraw/zinc/60/85/62/630608562.db2.gz SACSSDKKCSADLR-CJNGLKHVSA-N 1 0 308.853 3.318 20 10 DGCDRO COc1cccc(CN2CCCc3cc(C[NH3+])ccc32)c1F ZINC000843058358 630610099 /nfs/dbraw/zinc/61/00/99/630610099.db2.gz PSEPPWRRUSLKJO-UHFFFAOYSA-N 1 0 300.377 3.246 20 10 DGCDRO Oc1ccccc1CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000843115463 630615347 /nfs/dbraw/zinc/61/53/47/630615347.db2.gz FJQPZQRBCWQYJI-MRXNPFEDSA-N 1 0 302.805 3.192 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCOc1ccc(F)cc1 ZINC000843350533 630648691 /nfs/dbraw/zinc/64/86/91/630648691.db2.gz UJMBRZMCZIGHMK-UHFFFAOYSA-N 1 0 300.377 3.116 20 10 DGCDRO CCCCc1noc([C@@H](C)N2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843350619 630648745 /nfs/dbraw/zinc/64/87/45/630648745.db2.gz QOJRMVBVCDZWAV-CYBMUJFWSA-N 1 0 314.433 3.385 20 10 DGCDRO Oc1c(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)ccc2ccccc21 ZINC000843414534 630653437 /nfs/dbraw/zinc/65/34/37/630653437.db2.gz HWBSLPOHCAXOAF-MRXNPFEDSA-N 1 0 320.396 3.022 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC000843416749 630654182 /nfs/dbraw/zinc/65/41/82/630654182.db2.gz VWMRJDASJWJJSM-SFHVURJKSA-N 1 0 313.397 3.444 20 10 DGCDRO C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000843431700 630658273 /nfs/dbraw/zinc/65/82/73/630658273.db2.gz BUBJQFCCUMSJIB-DQOPKJQZSA-N 1 0 300.446 3.409 20 10 DGCDRO C[C@@H]([NH3+])CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843484233 630661810 /nfs/dbraw/zinc/66/18/10/630661810.db2.gz ITCGKVIVVLGYLR-HUUCEWRRSA-N 1 0 312.413 3.219 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)C2([NH3+])CCCCC2)cc1 ZINC000844166822 630711343 /nfs/dbraw/zinc/71/13/43/630711343.db2.gz JNMVXPWNLUMSIN-UHFFFAOYSA-N 1 0 317.477 3.153 20 10 DGCDRO Cc1ccc2nc(CN3CCCc4cc(C[NH3+])ccc43)cn2c1 ZINC000844219260 630712677 /nfs/dbraw/zinc/71/26/77/630712677.db2.gz KNFBUMWADFFPNG-UHFFFAOYSA-N 1 0 306.413 3.054 20 10 DGCDRO Oc1ccccc1C[N@H+](Cc1cc2n(n1)CCC2)C1CCCC1 ZINC000844297889 630716573 /nfs/dbraw/zinc/71/65/73/630716573.db2.gz UNSDJYDMDOMIHA-UHFFFAOYSA-N 1 0 311.429 3.480 20 10 DGCDRO Cc1nnsc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000844296382 630716611 /nfs/dbraw/zinc/71/66/11/630716611.db2.gz IVIKJEUPYXKTQD-UHFFFAOYSA-N 1 0 303.431 3.497 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1 ZINC000105493521 630719013 /nfs/dbraw/zinc/71/90/13/630719013.db2.gz JAUMWWMATOBTSE-OAQYLSRUSA-N 1 0 324.468 3.370 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(Cl)cn2)cc1 ZINC000844401824 630724754 /nfs/dbraw/zinc/72/47/54/630724754.db2.gz RWXTZWIZYYAYQK-UHFFFAOYSA-N 1 0 319.836 3.312 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000844904288 630973022 /nfs/dbraw/zinc/97/30/22/630973022.db2.gz GVOVLUZLVDWFQX-HNNXBMFYSA-N 1 0 312.413 3.307 20 10 DGCDRO C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000844922704 630982717 /nfs/dbraw/zinc/98/27/17/630982717.db2.gz CSNCIUUGNHYMJY-NSHDSACASA-N 1 0 306.356 3.241 20 10 DGCDRO C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000844922703 630982977 /nfs/dbraw/zinc/98/29/77/630982977.db2.gz CSNCIUUGNHYMJY-LLVKDONJSA-N 1 0 306.356 3.241 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000845973353 631204379 /nfs/dbraw/zinc/20/43/79/631204379.db2.gz YDGAEDGCRRLBSF-LBPRGKRZSA-N 1 0 316.357 3.468 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000845972947 631204411 /nfs/dbraw/zinc/20/44/11/631204411.db2.gz RVIVOSZOMOCYJD-GFCCVEGCSA-N 1 0 317.385 3.356 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000846007372 631205552 /nfs/dbraw/zinc/20/55/52/631205552.db2.gz GUBUKRTVWLCPGP-ARJAWSKDSA-N 1 0 300.446 3.003 20 10 DGCDRO OC[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCc2ccccc21 ZINC000846011776 631206083 /nfs/dbraw/zinc/20/60/83/631206083.db2.gz POVNTSZBKUOGOV-SFHVURJKSA-N 1 0 317.816 3.012 20 10 DGCDRO COc1ccc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)cc1C ZINC000846017018 631206187 /nfs/dbraw/zinc/20/61/87/631206187.db2.gz LDJNKGBKRSUKEJ-UGSOOPFHSA-N 1 0 303.377 3.354 20 10 DGCDRO C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1F ZINC000846017947 631206203 /nfs/dbraw/zinc/20/62/03/631206203.db2.gz RIMPFWQBVWTVPK-HWPZZCPQSA-N 1 0 309.768 3.396 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846019163 631206507 /nfs/dbraw/zinc/20/65/07/631206507.db2.gz XWZHYEMRYDFNSU-SJKOYZFVSA-N 1 0 319.376 3.142 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c1 ZINC000846038536 631207537 /nfs/dbraw/zinc/20/75/37/631207537.db2.gz MTRWNNUERYDHBC-LIRRHRJNSA-N 1 0 315.413 3.177 20 10 DGCDRO C[C@H](CCO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000846110736 631210178 /nfs/dbraw/zinc/21/01/78/631210178.db2.gz KOFLYDLHSHEDIH-OAHLLOKOSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccc(C)cc2)c1O ZINC000846135281 631211338 /nfs/dbraw/zinc/21/13/38/631211338.db2.gz CDPDARXCDLYHJU-CQSZACIVSA-N 1 0 301.386 3.439 20 10 DGCDRO CCOc1ncccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846139043 631211374 /nfs/dbraw/zinc/21/13/74/631211374.db2.gz OQTQUFDIZZVJKF-LBPRGKRZSA-N 1 0 302.374 3.045 20 10 DGCDRO CCC(CC)[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)N(C)C ZINC000846139077 631211386 /nfs/dbraw/zinc/21/13/86/631211386.db2.gz POMRTQWLKCAROH-CJNGLKHVSA-N 1 0 308.466 3.418 20 10 DGCDRO COc1ccc(OCC[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846136071 631211454 /nfs/dbraw/zinc/21/14/54/631211454.db2.gz IAVINGDGYYFVAH-CYBMUJFWSA-N 1 0 317.385 3.139 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1O ZINC000846142609 631211543 /nfs/dbraw/zinc/21/15/43/631211543.db2.gz BAHWJDHAXNBAMR-ZBEGNZNMSA-N 1 0 307.415 3.021 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCCOCC(F)(F)F)c1O ZINC000846139648 631211587 /nfs/dbraw/zinc/21/15/87/631211587.db2.gz QCGKHTDEXTXZBO-SNVBAGLBSA-N 1 0 307.312 3.020 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)c1O ZINC000846142746 631211674 /nfs/dbraw/zinc/21/16/74/631211674.db2.gz VUCSIPPKGYJTJS-LSDHHAIUSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(OC)c2OC)c1O ZINC000846140910 631211677 /nfs/dbraw/zinc/21/16/77/631211677.db2.gz IUAWYTJIQGLGTI-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c1O ZINC000846150982 631212251 /nfs/dbraw/zinc/21/22/51/631212251.db2.gz QYFQLMOCMZLUCR-UGSOOPFHSA-N 1 0 313.397 3.365 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCCc2c(C)noc2C)c1O ZINC000846151611 631212331 /nfs/dbraw/zinc/21/23/31/631212331.db2.gz ZTKLKMUPIURCDJ-LLVKDONJSA-N 1 0 304.390 3.289 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)c1O ZINC000846149414 631212347 /nfs/dbraw/zinc/21/23/47/631212347.db2.gz ZABPAJKOMKUCNV-LBPRGKRZSA-N 1 0 311.385 3.436 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846161725 631212753 /nfs/dbraw/zinc/21/27/53/631212753.db2.gz BVKJWSRKTPDJPT-KBPBESRZSA-N 1 0 319.401 3.292 20 10 DGCDRO C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1cc(F)ccc1O ZINC000846181529 631213838 /nfs/dbraw/zinc/21/38/38/631213838.db2.gz ZSNPFQUZOGGCIL-BFUOFWGJSA-N 1 0 315.388 3.058 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000846204997 631214708 /nfs/dbraw/zinc/21/47/08/631214708.db2.gz DLAOZFHNUAIMKF-XHDPSFHLSA-N 1 0 322.836 3.097 20 10 DGCDRO CCCNC(=O)CCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000846776102 631302044 /nfs/dbraw/zinc/30/20/44/631302044.db2.gz JPEWEEYFSRPCOG-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCSC)c1O ZINC000848513047 631673041 /nfs/dbraw/zinc/67/30/41/631673041.db2.gz COEPBJKDZBAYCN-QMMMGPOBSA-N 1 0 320.252 3.177 20 10 DGCDRO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCCOC1 ZINC000107670238 631679146 /nfs/dbraw/zinc/67/91/46/631679146.db2.gz BGNKERPSWCMTHL-CYBMUJFWSA-N 1 0 307.434 3.254 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000848556945 631691844 /nfs/dbraw/zinc/69/18/44/631691844.db2.gz DNLMPUVQQSEJLU-NXOAAHMSSA-N 1 0 320.477 3.157 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)c1 ZINC000848568357 631696726 /nfs/dbraw/zinc/69/67/26/631696726.db2.gz GORKFSLGNMHBTB-RRQGHBQHSA-N 1 0 304.434 3.068 20 10 DGCDRO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000848572169 631697702 /nfs/dbraw/zinc/69/77/02/631697702.db2.gz GYOXYNAEKAJJRL-LBPRGKRZSA-N 1 0 317.360 3.098 20 10 DGCDRO CCc1cccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c1O ZINC000848888158 631772666 /nfs/dbraw/zinc/77/26/66/631772666.db2.gz NOOWRANBUFCMCP-UHFFFAOYSA-N 1 0 322.449 3.301 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1O ZINC000848892814 631775847 /nfs/dbraw/zinc/77/58/47/631775847.db2.gz HMINQYXFBZWTRN-UHFFFAOYSA-N 1 0 324.424 3.371 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cccc(Cn3cccn3)c2)c1O ZINC000848895187 631776882 /nfs/dbraw/zinc/77/68/82/631776882.db2.gz SAEQIDOEYDYGPY-UHFFFAOYSA-N 1 0 321.424 3.489 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2COc3cc(OC)ccc3C2)c1O ZINC000848900773 631779291 /nfs/dbraw/zinc/77/92/91/631779291.db2.gz QBVTVZAKJXELOE-INIZCTEOSA-N 1 0 313.397 3.057 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H]2COC3(CCCCC3)O2)c1O ZINC000848901350 631779388 /nfs/dbraw/zinc/77/93/88/631779388.db2.gz YDWPUBDCEOVWGP-INIZCTEOSA-N 1 0 305.418 3.120 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[S@@](=O)C(CC)(CC)C2)c1O ZINC000848902239 631779456 /nfs/dbraw/zinc/77/94/56/631779456.db2.gz BFWGOGCMRSOFAO-OAQYLSRUSA-N 1 0 309.475 3.078 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1O ZINC000848900972 631779773 /nfs/dbraw/zinc/77/97/73/631779773.db2.gz SNXOXRBQJOIIHR-IIAWOOMASA-N 1 0 309.500 3.424 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c1O ZINC000848905831 631780574 /nfs/dbraw/zinc/78/05/74/631780574.db2.gz PAIYCISZZHCFID-HNNXBMFYSA-N 1 0 317.351 3.498 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c1O ZINC000848907017 631782226 /nfs/dbraw/zinc/78/22/26/631782226.db2.gz ZTGULPLAAPRBCW-INIZCTEOSA-N 1 0 301.434 3.218 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c1O ZINC000848909615 631783121 /nfs/dbraw/zinc/78/31/21/631783121.db2.gz XXBYVRDEEGXINB-CYBMUJFWSA-N 1 0 322.449 3.348 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000848912081 631784275 /nfs/dbraw/zinc/78/42/75/631784275.db2.gz AHRKNOWBCNLWCZ-HNNXBMFYSA-N 1 0 305.809 3.252 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1O ZINC000848927798 631791112 /nfs/dbraw/zinc/79/11/12/631791112.db2.gz NUFZOEKVJKYSIN-GJZGRUSLSA-N 1 0 324.852 3.161 20 10 DGCDRO COc1cccc(C[N@@H+]2C[C@H](C)OC3(CCCCC3)C2)c1O ZINC000848928820 631792237 /nfs/dbraw/zinc/79/22/37/631792237.db2.gz ONJYANCTBXVLNB-AWEZNQCLSA-N 1 0 305.418 3.324 20 10 DGCDRO CCc1ccc(C)[nH+]c1NCc1ccc(N2CCOCC2)cc1 ZINC000849347495 631899241 /nfs/dbraw/zinc/89/92/41/631899241.db2.gz LHTBRFHHGWANNG-UHFFFAOYSA-N 1 0 311.429 3.401 20 10 DGCDRO CN(C)c1ccc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000849351927 631901650 /nfs/dbraw/zinc/90/16/50/631901650.db2.gz FUSXQGDKRNTLJB-IBGZPJMESA-N 1 0 311.429 3.026 20 10 DGCDRO Oc1cccc(Cl)c1CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000849353063 631901951 /nfs/dbraw/zinc/90/19/51/631901951.db2.gz XOWPLSITZGRILT-QGZVFWFLSA-N 1 0 318.804 3.319 20 10 DGCDRO COc1cc(C[NH2+]C[C@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850023056 632031539 /nfs/dbraw/zinc/03/15/39/632031539.db2.gz YOHQRBCERMQZIY-HNNXBMFYSA-N 1 0 319.401 3.115 20 10 DGCDRO COc1cc(C[NH2+][C@H](CO)CC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850072286 632047891 /nfs/dbraw/zinc/04/78/91/632047891.db2.gz RHRXAQADJMAOFL-AWEZNQCLSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000850155605 632067832 /nfs/dbraw/zinc/06/78/32/632067832.db2.gz DOWLJLFTLOBSEU-DZGCQCFKSA-N 1 0 321.461 3.339 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(C)C ZINC000850158884 632068678 /nfs/dbraw/zinc/06/86/78/632068678.db2.gz SZWUURWQSOERNO-MRXNPFEDSA-N 1 0 309.450 3.459 20 10 DGCDRO COc1cc(C[NH2+]CC2(CCO)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850195096 632077727 /nfs/dbraw/zinc/07/77/27/632077727.db2.gz XRKJVIPLKHZVMQ-UHFFFAOYSA-N 1 0 321.461 3.341 20 10 DGCDRO COc1cc(C[NH2+]Cc2ncccc2O)c(O)c(C(C)(C)C)c1 ZINC000850281964 632102446 /nfs/dbraw/zinc/10/24/46/632102446.db2.gz PUIPFSNWZZXHEU-UHFFFAOYSA-N 1 0 316.401 3.089 20 10 DGCDRO COc1cc(C[NH2+]CCN2CC=CCC2)c(O)c(C(C)(C)C)c1 ZINC000850280960 632102820 /nfs/dbraw/zinc/10/28/20/632102820.db2.gz AIHNAHXPWMNTNI-UHFFFAOYSA-N 1 0 318.461 3.050 20 10 DGCDRO COc1cc(C[NH2+]C2(CCO)CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850294266 632107065 /nfs/dbraw/zinc/10/70/65/632107065.db2.gz ZYKNMFDFCZUVOL-UHFFFAOYSA-N 1 0 321.461 3.483 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1 ZINC000850341800 632117936 /nfs/dbraw/zinc/11/79/36/632117936.db2.gz ATBVTELVDHCNJW-DKFQHHCZSA-N 1 0 301.478 3.228 20 10 DGCDRO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000850347329 632120819 /nfs/dbraw/zinc/12/08/19/632120819.db2.gz QILLTNOCTFANHT-SOLBZPMBSA-N 1 0 318.461 3.069 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2cccnc2N2CCCC2)cc1 ZINC000850353008 632123010 /nfs/dbraw/zinc/12/30/10/632123010.db2.gz PBOVDBIDRKSUHW-UHFFFAOYSA-N 1 0 310.445 3.038 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1 ZINC000850356325 632123650 /nfs/dbraw/zinc/12/36/50/632123650.db2.gz OMJZXKNEODVQTF-CDMIOBSGSA-N 1 0 322.518 3.312 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2c(OC)cccc2OC)c1O ZINC000850355661 632123873 /nfs/dbraw/zinc/12/38/73/632123873.db2.gz KYSPSXXWGPBBTC-UHFFFAOYSA-N 1 0 317.385 3.098 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1 ZINC000850356327 632124013 /nfs/dbraw/zinc/12/40/13/632124013.db2.gz OMJZXKNEODVQTF-NRJQMVOHSA-N 1 0 322.518 3.312 20 10 DGCDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850363872 632125673 /nfs/dbraw/zinc/12/56/73/632125673.db2.gz LNFCCQDAWWVELA-HRAATJIYSA-N 1 0 322.452 3.341 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)c1cccc(OC)c1 ZINC000850361836 632125838 /nfs/dbraw/zinc/12/58/38/632125838.db2.gz FTKCGGKRVGRWFO-GOSISDBHSA-N 1 0 315.413 3.495 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cc(COC)cs2)c1O ZINC000850377887 632131895 /nfs/dbraw/zinc/13/18/95/632131895.db2.gz MTALAPUVPMUXAZ-UHFFFAOYSA-N 1 0 307.415 3.289 20 10 DGCDRO c1ccc([C@@H]2CO[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000850377973 632132222 /nfs/dbraw/zinc/13/22/22/632132222.db2.gz QNQCWIUISSHDRE-OALUTQOASA-N 1 0 309.409 3.284 20 10 DGCDRO Fc1cc(C[NH2+]CCCC2CCC2)ccc1N1CCOCC1 ZINC000850379240 632133308 /nfs/dbraw/zinc/13/33/08/632133308.db2.gz IOXLRTGAHNAGBG-UHFFFAOYSA-N 1 0 306.425 3.332 20 10 DGCDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c(O)c(C(C)(C)C)c1 ZINC000850388512 632136673 /nfs/dbraw/zinc/13/66/73/632136673.db2.gz NIGLHAXHUBYORD-HOTGVXAUSA-N 1 0 319.445 3.091 20 10 DGCDRO CC(C)[C@@H](O)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000850395845 632138571 /nfs/dbraw/zinc/13/85/71/632138571.db2.gz ZVTYMIKZVGKMPR-WOJBJXKFSA-N 1 0 311.425 3.469 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c(Cl)c1 ZINC000850396694 632138718 /nfs/dbraw/zinc/13/87/18/632138718.db2.gz NKJIRBBZMFXBDT-LBPRGKRZSA-N 1 0 324.852 3.091 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c(Cl)c1 ZINC000850396693 632138981 /nfs/dbraw/zinc/13/89/81/632138981.db2.gz NKJIRBBZMFXBDT-GFCCVEGCSA-N 1 0 324.852 3.091 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@]2(C)CC2(C)C)c1O ZINC000850400129 632139868 /nfs/dbraw/zinc/13/98/68/632139868.db2.gz ZVHAMVZLMXLWSX-CQSZACIVSA-N 1 0 314.223 3.442 20 10 DGCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850404914 632141356 /nfs/dbraw/zinc/14/13/56/632141356.db2.gz GEHNDSHUCOXAEV-UHFFFAOYSA-N 1 0 310.441 3.246 20 10 DGCDRO Cc1sccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406891 632142299 /nfs/dbraw/zinc/14/22/99/632142299.db2.gz YBDLXKUZMSERSA-UHFFFAOYSA-N 1 0 316.470 3.307 20 10 DGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000850412056 632144031 /nfs/dbraw/zinc/14/40/31/632144031.db2.gz SIPPYJTWBFXZSJ-PXAZEXFGSA-N 1 0 305.805 3.300 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c1 ZINC000850412121 632144304 /nfs/dbraw/zinc/14/43/04/632144304.db2.gz SYQLCDPZQYNMCJ-AUUYWEPGSA-N 1 0 315.413 3.045 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c1 ZINC000850412125 632144308 /nfs/dbraw/zinc/14/43/08/632144308.db2.gz SYQLCDPZQYNMCJ-KUHUBIRLSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000850413481 632144845 /nfs/dbraw/zinc/14/48/45/632144845.db2.gz RNCVSXKYCLSZLZ-UHFFFAOYSA-N 1 0 323.295 3.012 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cscn3)C2)cc1 ZINC000850487754 632167653 /nfs/dbraw/zinc/16/76/53/632167653.db2.gz JFROPCAAZVZXBL-CHWSQXEVSA-N 1 0 303.431 3.081 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CC(OC(C)(C)C)C3)C2)cc1 ZINC000850487544 632167722 /nfs/dbraw/zinc/16/77/22/632167722.db2.gz IBPOJXJHPWUKFF-KSTDHSDQSA-N 1 0 318.461 3.210 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)c2c1c(F)ccc2O ZINC000850521334 632178026 /nfs/dbraw/zinc/17/80/26/632178026.db2.gz RZPLKHXSAKPTGX-UISBYWKRSA-N 1 0 301.308 3.093 20 10 DGCDRO COCc1csc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000850533278 632184270 /nfs/dbraw/zinc/18/42/70/632184270.db2.gz URCKWOGDOQPHFR-LLVKDONJSA-N 1 0 307.415 3.460 20 10 DGCDRO Cc1cncc(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000850550182 632190079 /nfs/dbraw/zinc/19/00/79/632190079.db2.gz NCRJIDGBAFUTIL-AWEZNQCLSA-N 1 0 311.429 3.263 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O ZINC000850556383 632191642 /nfs/dbraw/zinc/19/16/42/632191642.db2.gz KVKOPSZELDPPGB-NEPJUHHUSA-N 1 0 324.852 3.343 20 10 DGCDRO CNC(=O)CC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCCCC1 ZINC000850557035 632192908 /nfs/dbraw/zinc/19/29/08/632192908.db2.gz VDCSGRWRUKDWDD-ZDUSSCGKSA-N 1 0 322.424 3.269 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C ZINC000850568009 632196534 /nfs/dbraw/zinc/19/65/34/632196534.db2.gz NVVPRTXWSIWHSA-ZMYBRWDISA-N 1 0 302.462 3.172 20 10 DGCDRO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccccc1O ZINC000109770778 632316164 /nfs/dbraw/zinc/31/61/64/632316164.db2.gz DWCRJUDRVVADKT-NSHDSACASA-N 1 0 320.339 3.129 20 10 DGCDRO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccccc1O ZINC000109770791 632316393 /nfs/dbraw/zinc/31/63/93/632316393.db2.gz NAVGWNNHNVRZBY-LLVKDONJSA-N 1 0 320.339 3.129 20 10 DGCDRO C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1O ZINC000109773619 632316591 /nfs/dbraw/zinc/31/65/91/632316591.db2.gz KXWJSZYSGPJRRX-UHFFFAOYSA-N 1 0 324.424 3.260 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCCCCC2=O)c1 ZINC000184867414 660193014 /nfs/dbraw/zinc/19/30/14/660193014.db2.gz SSULEAFOWSBZFU-OAHLLOKOSA-N 1 0 304.434 3.144 20 10 DGCDRO CC(C)[NH+](CCCNC(=O)N(C)Cc1ccccc1O)C(C)C ZINC000072518492 660199697 /nfs/dbraw/zinc/19/96/97/660199697.db2.gz SVWVUDUKSXKGOA-UHFFFAOYSA-N 1 0 321.465 3.043 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(OC)c(F)c2)c1 ZINC000185333232 660216300 /nfs/dbraw/zinc/21/63/00/660216300.db2.gz IUUOOKYYNDKIOO-GFCCVEGCSA-N 1 0 319.376 3.442 20 10 DGCDRO C[C@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)N(C)C1CC1 ZINC000185369094 660219548 /nfs/dbraw/zinc/21/95/48/660219548.db2.gz RLJCZZGMEDDYOI-ZIAGYGMSSA-N 1 0 302.462 3.404 20 10 DGCDRO C[C@@H]([NH2+]CCCOCC1CCOCC1)c1cc(F)ccc1O ZINC000185520668 660226994 /nfs/dbraw/zinc/22/69/94/660226994.db2.gz NHICEUFDHFMQHT-CYBMUJFWSA-N 1 0 311.397 3.015 20 10 DGCDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185530608 660227308 /nfs/dbraw/zinc/22/73/08/660227308.db2.gz TYRKPMCVORRIKX-IUODEOHRSA-N 1 0 309.475 3.036 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000186095063 660266185 /nfs/dbraw/zinc/26/61/85/660266185.db2.gz QYQJSNFNMIVIEY-YEJXKQKISA-N 1 0 303.427 3.289 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(Br)ccc1O ZINC000186280370 660358293 /nfs/dbraw/zinc/35/82/93/660358293.db2.gz WFPQHQSIFIYBKO-DYEKYZERSA-N 1 0 314.223 3.109 20 10 DGCDRO CSCC[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706880620 660386159 /nfs/dbraw/zinc/38/61/59/660386159.db2.gz ATIBHJJIVFGSHH-VIFPVBQESA-N 1 0 304.253 3.386 20 10 DGCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000186752233 660573134 /nfs/dbraw/zinc/57/31/34/660573134.db2.gz QLZDIYUIRKVCDL-ZIAGYGMSSA-N 1 0 320.433 3.218 20 10 DGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000701145074 660657037 /nfs/dbraw/zinc/65/70/37/660657037.db2.gz XKIOPMSJSXKXNF-LBPRGKRZSA-N 1 0 314.223 3.202 20 10 DGCDRO CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001035876990 660858729 /nfs/dbraw/zinc/85/87/29/660858729.db2.gz ZAFRLJNEXNYAFP-RDJZCZTQSA-N 1 0 318.461 3.130 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CC1SCCS1 ZINC000706825355 660873894 /nfs/dbraw/zinc/87/38/94/660873894.db2.gz VAJZESZWBFLTAI-UHFFFAOYSA-N 1 0 320.277 3.050 20 10 DGCDRO COCCCCC[NH2+]Cc1c(O)cccc1Br ZINC000706884809 660879327 /nfs/dbraw/zinc/87/93/27/660879327.db2.gz HQFMIGCTQWCVPU-UHFFFAOYSA-N 1 0 302.212 3.061 20 10 DGCDRO CCOC[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707144529 660888599 /nfs/dbraw/zinc/88/85/99/660888599.db2.gz ODCMYCDJZVRIKV-LLVKDONJSA-N 1 0 314.223 3.013 20 10 DGCDRO CCOCC[N@H+](CC)Cc1c(O)cccc1Br ZINC000707167347 660892732 /nfs/dbraw/zinc/89/27/32/660892732.db2.gz YIRFTOSDVWYOOZ-UHFFFAOYSA-N 1 0 302.212 3.013 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccccc3)C1)CCC2 ZINC000074171640 660954260 /nfs/dbraw/zinc/95/42/60/660954260.db2.gz QEMSSHPHOABODS-HXUWFJFHSA-N 1 0 309.409 3.454 20 10 DGCDRO COC(C)(C)CC[NH2+]Cc1ccc(Br)cc1O ZINC000711835624 660963923 /nfs/dbraw/zinc/96/39/23/660963923.db2.gz MCEAFDLKFOKTIB-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO CC[C@H]([NH2+]C[C@@](C)(O)CC)c1cc(Br)ccc1O ZINC000087011735 660964243 /nfs/dbraw/zinc/96/42/43/660964243.db2.gz KUFFPFOGWGXKSY-JSGCOSHPSA-N 1 0 316.239 3.356 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cn[nH]c2)c(C(F)(F)F)c1 ZINC000792828381 660987063 /nfs/dbraw/zinc/98/70/63/660987063.db2.gz UNVRCXOZGHDUCP-UHFFFAOYSA-N 1 0 312.339 3.127 20 10 DGCDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792977527 660998063 /nfs/dbraw/zinc/99/80/63/660998063.db2.gz XZKRAIHRLKSZSQ-XHDPSFHLSA-N 1 0 318.383 3.268 20 10 DGCDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792985542 660998776 /nfs/dbraw/zinc/99/87/76/660998776.db2.gz ZPSBRNDPKAYNNC-HNNXBMFYSA-N 1 0 318.383 3.412 20 10 DGCDRO COCC1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793020918 661000326 /nfs/dbraw/zinc/00/03/26/661000326.db2.gz FCVAOBZJGNXYOH-UHFFFAOYSA-N 1 0 302.340 3.040 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)cc1C ZINC000793602632 661049093 /nfs/dbraw/zinc/04/90/93/661049093.db2.gz ZPAWWGRAPBKXCK-CQSZACIVSA-N 1 0 322.449 3.397 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H](C3CCC3)C1)CCC2 ZINC000793747231 661055545 /nfs/dbraw/zinc/05/55/45/661055545.db2.gz VYSWYXFQJHNLGN-GOSISDBHSA-N 1 0 301.430 3.129 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C2CC2)O1 ZINC000794652144 661095936 /nfs/dbraw/zinc/09/59/36/661095936.db2.gz IEPWUUZXDXWZRQ-YVEFUNNKSA-N 1 0 319.445 3.395 20 10 DGCDRO CC[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(C)cc1O ZINC000794804277 661106253 /nfs/dbraw/zinc/10/62/53/661106253.db2.gz ULKSEOURPKHLFB-AWEZNQCLSA-N 1 0 305.447 3.464 20 10 DGCDRO CC[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(C)cc1O ZINC000794804003 661106316 /nfs/dbraw/zinc/10/63/16/661106316.db2.gz LIEKDDAXPFMKFO-QGZVFWFLSA-N 1 0 312.413 3.058 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCCc2cc(OC)ccc21 ZINC000325616608 655607351 /nfs/dbraw/zinc/60/73/51/655607351.db2.gz RVNHTJMQKZBNDI-UHFFFAOYSA-N 1 0 324.424 3.050 20 10 DGCDRO CC[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000158212792 655775513 /nfs/dbraw/zinc/77/55/13/655775513.db2.gz BRUNNPZREDULLO-LPHOPBHVSA-N 1 0 320.477 3.237 20 10 DGCDRO Oc1ccccc1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000318262743 655854484 /nfs/dbraw/zinc/85/44/84/655854484.db2.gz IQXYCHWDYOFJRU-OAHLLOKOSA-N 1 0 311.303 3.234 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)c2cccc(F)c2)c(O)c1OC ZINC000892749559 656035362 /nfs/dbraw/zinc/03/53/62/656035362.db2.gz PBOVUEIMDCRBHE-LBPRGKRZSA-N 1 0 319.376 3.442 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(N2CCOCC2)cc1 ZINC000187868866 656141817 /nfs/dbraw/zinc/14/18/17/656141817.db2.gz CPGIAKYEWBANMJ-YJBOKZPZSA-N 1 0 318.461 3.131 20 10 DGCDRO CN(Cc1cc(C(C)(C)C)cc(O)c1O)CC1([NH+](C)C)CCC1 ZINC000189797637 656157321 /nfs/dbraw/zinc/15/73/21/656157321.db2.gz FSHJUDUHTFCDNY-UHFFFAOYSA-N 1 0 320.477 3.311 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000194978346 656206871 /nfs/dbraw/zinc/20/68/71/656206871.db2.gz NNMWSABKNLREGW-KSZLIROESA-N 1 0 300.446 3.319 20 10 DGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000195196836 656210502 /nfs/dbraw/zinc/21/05/02/656210502.db2.gz TVVPOTKUPNCRPJ-GOSISDBHSA-N 1 0 305.418 3.112 20 10 DGCDRO Oc1ccccc1C[NH2+]CCc1cccc(Br)c1 ZINC000313739137 656306236 /nfs/dbraw/zinc/30/62/36/656306236.db2.gz LTUSEWZLWSUCSP-UHFFFAOYSA-N 1 0 306.203 3.487 20 10 DGCDRO COCC1CCC([NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000840964055 656859766 /nfs/dbraw/zinc/85/97/66/656859766.db2.gz WMXAEUBIPGUMET-UHFFFAOYSA-N 1 0 313.825 3.349 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000261652193 656944934 /nfs/dbraw/zinc/94/49/34/656944934.db2.gz JRDQUWHQRNOXLS-UHFFFAOYSA-N 1 0 323.440 3.301 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCCC2 ZINC000236904718 656979825 /nfs/dbraw/zinc/97/98/25/656979825.db2.gz OYUMKYPDAJTNEJ-ZWKOTPCHSA-N 1 0 301.430 3.449 20 10 DGCDRO CC[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001044932762 656983758 /nfs/dbraw/zinc/98/37/58/656983758.db2.gz SRQFCUKPTJQIGV-PBHICJAKSA-N 1 0 318.461 3.130 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000178775494 657047304 /nfs/dbraw/zinc/04/73/04/657047304.db2.gz LPRJSVRXGARMPO-OAHLLOKOSA-N 1 0 305.418 3.352 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)c1 ZINC000237204510 657378232 /nfs/dbraw/zinc/37/82/32/657378232.db2.gz SIHNIWUFIYAEQH-RDTXWAMCSA-N 1 0 306.450 3.001 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@H]1O ZINC000249351061 657399836 /nfs/dbraw/zinc/39/98/36/657399836.db2.gz WJDCAVFXYFNLSA-RTBURBONSA-N 1 0 302.462 3.412 20 10 DGCDRO C[C@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000054445735 658321538 /nfs/dbraw/zinc/32/15/38/658321538.db2.gz YOOKOEKEAPAUIC-LBPRGKRZSA-N 1 0 301.386 3.238 20 10 DGCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000179330430 658437119 /nfs/dbraw/zinc/43/71/19/658437119.db2.gz GJWQGHKTPWEJNB-UHFFFAOYSA-N 1 0 324.852 3.174 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCOC2(CCOCC2)C1 ZINC000322301651 658488367 /nfs/dbraw/zinc/48/83/67/658488367.db2.gz WDRUCSNDLTWAQQ-SFHVURJKSA-N 1 0 318.461 3.090 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1O ZINC000275335908 658548348 /nfs/dbraw/zinc/54/83/48/658548348.db2.gz NVVZAMHDIXHAIK-XDTLVQLUSA-N 1 0 314.223 3.027 20 10 DGCDRO OCc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000323369324 658671454 /nfs/dbraw/zinc/67/14/54/658671454.db2.gz DFRUMTKJCBNGFE-UHFFFAOYSA-N 1 0 310.441 3.459 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCOC1 ZINC000163621802 658882583 /nfs/dbraw/zinc/88/25/83/658882583.db2.gz XCOXOQSGRFMOFT-AEFFLSMTSA-N 1 0 320.502 3.145 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC000164457075 658935145 /nfs/dbraw/zinc/93/51/45/658935145.db2.gz BTZBEUVSTLVARJ-ZDUSSCGKSA-N 1 0 316.367 3.077 20 10 DGCDRO C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000224495836 659019862 /nfs/dbraw/zinc/01/98/62/659019862.db2.gz BDHMMJPLPINFCF-ZDUSSCGKSA-N 1 0 319.449 3.023 20 10 DGCDRO Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000224803471 659031255 /nfs/dbraw/zinc/03/12/55/659031255.db2.gz SRZQNAFTMVROCP-ZDUSSCGKSA-N 1 0 308.422 3.094 20 10 DGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226609544 659126840 /nfs/dbraw/zinc/12/68/40/659126840.db2.gz ABCPBOXANXYUST-CQSZACIVSA-N 1 0 324.396 3.020 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](N4CC=CC4)C3)c2c1 ZINC000172932094 659364239 /nfs/dbraw/zinc/36/42/39/659364239.db2.gz CWBYJFDMEBYNOI-INIZCTEOSA-N 1 0 324.424 3.000 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](N3CC=CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000172931666 659364333 /nfs/dbraw/zinc/36/43/33/659364333.db2.gz YNHUWBXLCKPTHN-KRWDZBQOSA-N 1 0 314.473 3.444 20 10 DGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cccs3)SC2=S)CC1 ZINC000063824307 659414122 /nfs/dbraw/zinc/41/41/22/659414122.db2.gz RJIUAYCLTJTZPF-XFXZXTDPSA-N 1 0 324.496 3.044 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000174351527 659431182 /nfs/dbraw/zinc/43/11/82/659431182.db2.gz HMZRQJFIAMVQPP-UHFFFAOYSA-N 1 0 300.358 3.250 20 10 DGCDRO COc1ccc(OCC[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182383763 660049309 /nfs/dbraw/zinc/04/93/09/660049309.db2.gz VMYZIAIRMXVMGS-CYBMUJFWSA-N 1 0 317.385 3.139 20 10 DGCDRO COc1cccc(OCC[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182405038 660051407 /nfs/dbraw/zinc/05/14/07/660051407.db2.gz ZVGSEFSVFBJEOM-ZDUSSCGKSA-N 1 0 317.385 3.139 20 10 DGCDRO COC(=O)c1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000182458567 660054175 /nfs/dbraw/zinc/05/41/75/660054175.db2.gz DBJAZLSZNCCWNY-GFCCVEGCSA-N 1 0 315.369 3.038 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CCn2cccn2)cc1 ZINC000182557462 660063129 /nfs/dbraw/zinc/06/31/29/660063129.db2.gz FSDMLQGPQKOQML-MRXNPFEDSA-N 1 0 300.450 3.298 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000182894861 660087485 /nfs/dbraw/zinc/08/74/85/660087485.db2.gz RLEIBRAQDQNPOS-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO CCOCCOCC[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000189234388 660108548 /nfs/dbraw/zinc/10/85/48/660108548.db2.gz WQQCPBSGPVRAHL-UHFFFAOYSA-N 1 0 309.450 3.309 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCOC1 ZINC000157427304 661867402 /nfs/dbraw/zinc/86/74/02/661867402.db2.gz MGAGRHLGFWFEDR-DNVCBOLYSA-N 1 0 318.461 3.069 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1O ZINC000188808349 661945891 /nfs/dbraw/zinc/94/58/91/661945891.db2.gz TWQYYHHGWRYAMF-ZFWWWQNUSA-N 1 0 317.351 3.274 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189619728 661984582 /nfs/dbraw/zinc/98/45/82/661984582.db2.gz KSPYNZDSWMAHOJ-ZFWWWQNUSA-N 1 0 317.351 3.274 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000189999012 662001192 /nfs/dbraw/zinc/00/11/92/662001192.db2.gz SHTGTISOAGFANH-OCCSQVGLSA-N 1 0 308.422 3.346 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000247247989 662304995 /nfs/dbraw/zinc/30/49/95/662304995.db2.gz YCQVJQZHXWGCFM-VYDXJSESSA-N 1 0 301.478 3.419 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[C@@H]1O ZINC000091898799 662324069 /nfs/dbraw/zinc/32/40/69/662324069.db2.gz QUKHJZAQZAGYRO-HKUYNNGSSA-N 1 0 302.462 3.270 20 10 DGCDRO COCCC[N@H+](CCOC)Cc1ccc(N2CCCCC2)cc1 ZINC000092220950 662328517 /nfs/dbraw/zinc/32/85/17/662328517.db2.gz HHZKLWUJHFEMGW-UHFFFAOYSA-N 1 0 320.477 3.162 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCOC[C@H]2CCOC2)cc1 ZINC000247947606 662330405 /nfs/dbraw/zinc/33/04/05/662330405.db2.gz DRCSLCSGLHDJCZ-DLBZAZTESA-N 1 0 320.477 3.237 20 10 DGCDRO Oc1ccccc1C[N@H+](Cc1cnc2cnccn12)C1CCCC1 ZINC000093319233 662352584 /nfs/dbraw/zinc/35/25/84/662352584.db2.gz MTARERWBIAGOQP-UHFFFAOYSA-N 1 0 322.412 3.380 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000093441970 662354688 /nfs/dbraw/zinc/35/46/88/662354688.db2.gz GKKNWJWZXRGXBS-QZTJIDSGSA-N 1 0 300.446 3.145 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCc3cccc(F)c3C2)c1O ZINC000093454259 662355300 /nfs/dbraw/zinc/35/53/00/662355300.db2.gz LSDZWPLSGRDPLT-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000248636033 662355950 /nfs/dbraw/zinc/35/59/50/662355950.db2.gz KTVUUBHJJVDKQJ-ZBFHGGJFSA-N 1 0 319.449 3.024 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH+]1CCN(c2cccs2)CC1 ZINC000093692161 662359220 /nfs/dbraw/zinc/35/92/20/662359220.db2.gz WNMSOYHPRYUBDG-UHFFFAOYSA-N 1 0 308.834 3.429 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000065430036 685054782 /nfs/dbraw/zinc/05/47/82/685054782.db2.gz WGZIJLWYNMSKCR-HNNXBMFYSA-N 1 0 300.402 3.275 20 10 DGCDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000174434400 685106142 /nfs/dbraw/zinc/10/61/42/685106142.db2.gz SBHKITHJUWLVRQ-UHFFFAOYSA-N 1 0 318.461 3.498 20 10 DGCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000186764975 685113481 /nfs/dbraw/zinc/11/34/81/685113481.db2.gz YNCCISSTZGQUHU-KBPBESRZSA-N 1 0 320.433 3.218 20 10 DGCDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000382452242 685163271 /nfs/dbraw/zinc/16/32/71/685163271.db2.gz GIPKYDQFHHVTMQ-HIFRSBDPSA-N 1 0 320.433 3.175 20 10 DGCDRO C[C@@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1Cc1ccccc1 ZINC000383365355 685166789 /nfs/dbraw/zinc/16/67/89/685166789.db2.gz UYBVHZWAENAUIV-OXQOHEQNSA-N 1 0 322.452 3.374 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCCc2cc(C)ccc21 ZINC000391446403 685211173 /nfs/dbraw/zinc/21/11/73/685211173.db2.gz HYRSHICHOJXTJD-UHFFFAOYSA-N 1 0 308.425 3.350 20 10 DGCDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000393657914 685219176 /nfs/dbraw/zinc/21/91/76/685219176.db2.gz ADVMTACOEKWGOR-QGZVFWFLSA-N 1 0 311.473 3.363 20 10 DGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000397858616 685232937 /nfs/dbraw/zinc/23/29/37/685232937.db2.gz XMMUJHJGPAJLGS-CABCVRRESA-N 1 0 320.433 3.174 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000397858748 685233166 /nfs/dbraw/zinc/23/31/66/685233166.db2.gz DGTVJMDMOSDETP-CYBMUJFWSA-N 1 0 320.433 3.218 20 10 DGCDRO CC[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001074536331 687285231 /nfs/dbraw/zinc/28/52/31/687285231.db2.gz PJTFFBUMTVGXSH-QRTARXTBSA-N 1 0 318.461 3.129 20 10 DGCDRO C[C@@H]1CN(Cc2cc(F)c(F)cc2O)c2cc(F)ccc2C[NH2+]1 ZINC001576807880 1191869770 /nfs/dbraw/zinc/86/97/70/1191869770.db2.gz XCDYKJZLDQCRFY-SNVBAGLBSA-N 1 0 322.330 3.308 20 10 DGCDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001576972535 1191877224 /nfs/dbraw/zinc/87/72/24/1191877224.db2.gz VWXBLBPIMJIDKM-KBXCAEBGSA-N 1 0 317.477 3.007 20 10 DGCDRO Cc1cc(CN2CC[NH2+]C(C)(C)C2)ccc1N1CCCCC1 ZINC001579598418 1191981633 /nfs/dbraw/zinc/98/16/33/1191981633.db2.gz VBWQTBCEJRKGQB-UHFFFAOYSA-N 1 0 301.478 3.169 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2Cc3ccccc3CN2)c(Cl)c1 ZINC001579638010 1191983491 /nfs/dbraw/zinc/98/34/91/1191983491.db2.gz NKPUWATYCDSLGA-HNNXBMFYSA-N 1 0 316.832 3.158 20 10 DGCDRO Cc1cc(O)c(CN2CCC([NH2+]CC3CC3)CC2)cc1Cl ZINC001579637939 1191983551 /nfs/dbraw/zinc/98/35/51/1191983551.db2.gz JSIALCWXOJKNAO-UHFFFAOYSA-N 1 0 308.853 3.318 20 10 DGCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)C1 ZINC001580171582 1192011824 /nfs/dbraw/zinc/01/18/24/1192011824.db2.gz UCEUYCWSAAGSGR-GOSISDBHSA-N 1 0 322.383 3.429 20 10 DGCDRO [NH3+]CCCCCCC(=O)NCc1c(O)ccc2ccccc21 ZINC001580292559 1192020078 /nfs/dbraw/zinc/02/00/78/1192020078.db2.gz BOHYNAZOBHNCAL-UHFFFAOYSA-N 1 0 300.402 3.071 20 10 DGCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCCc2c(F)cccc21 ZINC001580824987 1192042749 /nfs/dbraw/zinc/04/27/49/1192042749.db2.gz PFZKMQDSHTVBPO-UHFFFAOYSA-N 1 0 310.372 3.064 20 10 DGCDRO c1c(C[NH2+]Cc2ccc(N3CCCC3)cc2)nc2ccccn12 ZINC001620699141 1192069539 /nfs/dbraw/zinc/06/95/39/1192069539.db2.gz BCPUHUDZBAUKKJ-UHFFFAOYSA-N 1 0 306.413 3.224 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC001621346264 1192087203 /nfs/dbraw/zinc/08/72/03/1192087203.db2.gz TUFHUFLYYJBCRI-MOPGFXCFSA-N 1 0 306.494 3.440 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCC(C)(C)C(=O)OC)cc1C ZINC001620932077 1192628275 /nfs/dbraw/zinc/62/82/75/1192628275.db2.gz XJUXERTZQHYGFT-UHFFFAOYSA-N 1 0 307.434 3.463 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCOC[C@H]1CCOC1 ZINC001254720836 1178080968 /nfs/dbraw/zinc/08/09/68/1178080968.db2.gz AIXNCQVHKPZDGG-BZUAXINKSA-N 1 0 319.445 3.282 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](CO)Cc1ccoc1 ZINC001331931715 1178312470 /nfs/dbraw/zinc/31/24/70/1178312470.db2.gz ASHILYUVRJOXJY-BMFZPTHFSA-N 1 0 315.413 3.283 20 10 DGCDRO CO[C@]12CCC[C@@]1([NH2+]Cc1ccc(N3CCCC3)cc1)CCO2 ZINC001333807012 1178676546 /nfs/dbraw/zinc/67/65/46/1178676546.db2.gz CVNVNKXONJPKMR-MOPGFXCFSA-N 1 0 316.445 3.062 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](c3nccs3)C2)c(O)cc1C ZINC001333828404 1178681570 /nfs/dbraw/zinc/68/15/70/1178681570.db2.gz LKAWIOCBFFYNPO-LBPRGKRZSA-N 1 0 304.415 3.155 20 10 DGCDRO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(F)ccc3O)C2)cc1 ZINC001334383761 1178756836 /nfs/dbraw/zinc/75/68/36/1178756836.db2.gz IFJXVCJHRGTBNX-INIZCTEOSA-N 1 0 314.360 3.123 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(F)cccc2OC)c1 ZINC001335222216 1178871571 /nfs/dbraw/zinc/87/15/71/1178871571.db2.gz NYPTYCCMALDKRQ-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)[C@@H](O)C(F)(F)F ZINC001335523347 1178925854 /nfs/dbraw/zinc/92/58/54/1178925854.db2.gz VPJWBUUIGDQMFX-MAGOMRGPSA-N 1 0 303.324 3.150 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCC[C@H]1O ZINC001341944718 1179083104 /nfs/dbraw/zinc/08/31/04/1179083104.db2.gz KPYFMDXQPHOADB-PKOBYXMFSA-N 1 0 302.462 3.270 20 10 DGCDRO C[C@H](NC(=O)[C@H](C[NH3+])C1CCCCCC1)c1ccccc1O ZINC001342404364 1179137907 /nfs/dbraw/zinc/13/79/07/1179137907.db2.gz HBSWUTZOJOUCIY-XJKSGUPXSA-N 1 0 304.434 3.115 20 10 DGCDRO CCc1ccc2c(c1)CCN2C(=O)c1ccccc1CC[NH2+]C ZINC001343084491 1179232821 /nfs/dbraw/zinc/23/28/21/1179232821.db2.gz ZFVJMHNBPHWKOV-UHFFFAOYSA-N 1 0 308.425 3.214 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]CCCC(F)(F)F)C2)cc1 ZINC001343203519 1179243706 /nfs/dbraw/zinc/24/37/06/1179243706.db2.gz FZDIRZVTEQADAB-LBPRGKRZSA-N 1 0 302.340 3.206 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]CCCSc2nccs2)c1 ZINC001344433102 1179432791 /nfs/dbraw/zinc/43/27/91/1179432791.db2.gz YHRQVCPTRLAQMF-UHFFFAOYSA-N 1 0 322.455 3.202 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)OCCc2ccccc21 ZINC001621047127 1192958509 /nfs/dbraw/zinc/95/85/09/1192958509.db2.gz HGGHPBXPEKROKY-FQEVSTJZSA-N 1 0 309.409 3.199 20 10 DGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347236159 1179786102 /nfs/dbraw/zinc/78/61/02/1179786102.db2.gz WNBMRQJNGFUVKJ-RDJZCZTQSA-N 1 0 319.468 3.340 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c(O)c1OC ZINC001351999212 1180276838 /nfs/dbraw/zinc/27/68/38/1180276838.db2.gz WWXQYVHDPNVYJG-UMVBOHGHSA-N 1 0 305.418 3.468 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1OC ZINC001351999205 1180277253 /nfs/dbraw/zinc/27/72/53/1180277253.db2.gz WWXQYVHDPNVYJG-GZBFAFLISA-N 1 0 305.418 3.468 20 10 DGCDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001200232128 1180471030 /nfs/dbraw/zinc/47/10/30/1180471030.db2.gz HCQFPLKWOPHRAP-UHFFFAOYSA-N 1 0 312.369 3.252 20 10 DGCDRO CC(C)[C@@H](C(=O)NCc1cc(Cl)ccc1O)[NH+]1CCCCC1 ZINC001452947005 1182305963 /nfs/dbraw/zinc/30/59/63/1182305963.db2.gz PGIAJOMVEFVFII-INIZCTEOSA-N 1 0 324.852 3.172 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1O ZINC001460636132 1182701594 /nfs/dbraw/zinc/70/15/94/1182701594.db2.gz HTUZEZLTMDQTBJ-LLVKDONJSA-N 1 0 320.339 3.350 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@H](CC(=O)OC)C(C)(C)C)cc1 ZINC001460833150 1182728984 /nfs/dbraw/zinc/72/89/84/1182728984.db2.gz CWMPEJTXERSYDM-MRXNPFEDSA-N 1 0 306.450 3.210 20 10 DGCDRO CC(C)[NH+](CCC[NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC001461267495 1182789973 /nfs/dbraw/zinc/78/99/73/1182789973.db2.gz KLBXRPKDCBEYFV-UHFFFAOYSA-N 1 0 300.393 3.269 20 10 DGCDRO c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001461358245 1182799984 /nfs/dbraw/zinc/79/99/84/1182799984.db2.gz AWWYVDFTJWPFAR-GOSISDBHSA-N 1 0 322.456 3.050 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2cccc(N(C)C)c2)c(O)c1 ZINC001461929796 1182882065 /nfs/dbraw/zinc/88/20/65/1182882065.db2.gz XZJPAZGEWLSLOG-UHFFFAOYSA-N 1 0 314.429 3.407 20 10 DGCDRO COc1ccc(SCC[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC001462143708 1182914196 /nfs/dbraw/zinc/91/41/96/1182914196.db2.gz AETJCZRICNLUBQ-UHFFFAOYSA-N 1 0 319.426 3.291 20 10 DGCDRO CC(C)[C@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC001462286984 1182934023 /nfs/dbraw/zinc/93/40/23/1182934023.db2.gz VSUWPACEGMCDES-QGZVFWFLSA-N 1 0 312.404 3.278 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c(O)c1OC ZINC001462633785 1182977452 /nfs/dbraw/zinc/97/74/52/1182977452.db2.gz JQJZWNYSTUGJTF-OAHLLOKOSA-N 1 0 317.360 3.496 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)CC[NH+](C)C)cc1 ZINC001463775196 1183045834 /nfs/dbraw/zinc/04/58/34/1183045834.db2.gz HPZALXDATUEHII-MRXNPFEDSA-N 1 0 319.493 3.079 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@]2(CCOC2)O1)c1ccc(N(C)C)cc1 ZINC001473401149 1183752711 /nfs/dbraw/zinc/75/27/11/1183752711.db2.gz ZAMOGFVNOXLMPK-ZYSHUDEJSA-N 1 0 318.461 3.131 20 10 DGCDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001474041777 1183856251 /nfs/dbraw/zinc/85/62/51/1183856251.db2.gz YPZSUBLGBBNEFT-FQEVSTJZSA-N 1 0 310.441 3.418 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(N(C)C)n2)cc1 ZINC001474076800 1183862309 /nfs/dbraw/zinc/86/23/09/1183862309.db2.gz OAMLORYTXJZLEA-UHFFFAOYSA-N 1 0 312.461 3.284 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC001474137480 1183873703 /nfs/dbraw/zinc/87/37/03/1183873703.db2.gz FRXQDLGPWIGAFP-KKHYBRAUSA-N 1 0 313.489 3.372 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1 ZINC001474270672 1183892665 /nfs/dbraw/zinc/89/26/65/1183892665.db2.gz LERJRBNUBYRCKH-AJNOYIKESA-N 1 0 300.446 3.315 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC001474378738 1183912123 /nfs/dbraw/zinc/91/21/23/1183912123.db2.gz GVEYRZGHMLCHQH-LKIHTYOGSA-N 1 0 322.456 3.435 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H]2C)c2cc(F)ccc2n1C ZINC001474380554 1183913234 /nfs/dbraw/zinc/91/32/34/1183913234.db2.gz UWVLSGGACKMKAT-NSHDSACASA-N 1 0 304.365 3.088 20 10 DGCDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(C(C)C)ccc2O)C1(C)C ZINC001474445667 1183923061 /nfs/dbraw/zinc/92/30/61/1183923061.db2.gz IRRKKWRJUNPFJF-HKUYNNGSSA-N 1 0 321.461 3.171 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCO[C@@H]2CCCCO2)cc1C ZINC001474546937 1183938422 /nfs/dbraw/zinc/93/84/22/1183938422.db2.gz RWKNWOOJJPBCRF-GOSISDBHSA-N 1 0 307.434 3.417 20 10 DGCDRO C[C@@](O)(C[NH2+]Cc1ccc(Cl)cc1O)c1cccc(F)c1 ZINC001474715305 1183966766 /nfs/dbraw/zinc/96/67/66/1183966766.db2.gz FBFGAKSORVJWAY-MRXNPFEDSA-N 1 0 309.768 3.182 20 10 DGCDRO CCCSC[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001474741860 1183971201 /nfs/dbraw/zinc/97/12/01/1183971201.db2.gz LYLYVNBPKSEHIN-YJBOKZPZSA-N 1 0 323.550 3.477 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001474755033 1183973998 /nfs/dbraw/zinc/97/39/98/1183973998.db2.gz LFGUXFYVHQHZSE-RTBURBONSA-N 1 0 302.462 3.452 20 10 DGCDRO CCC[C@H](C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001621134627 1193441878 /nfs/dbraw/zinc/44/18/78/1193441878.db2.gz OEVSISAWPVKKHY-GOSISDBHSA-N 1 0 306.450 3.022 20 10 DGCDRO C[NH+](C)Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001559009589 1189162846 /nfs/dbraw/zinc/16/28/46/1189162846.db2.gz ODIIBTKJFUJQKI-UHFFFAOYSA-N 1 0 318.804 3.037 20 10 DGCDRO Cc1cc(C[N@@H+]2[C@H](C)CC[C@@H]2CO)ccc1N1CCCCC1 ZINC001560104682 1189279761 /nfs/dbraw/zinc/27/97/61/1189279761.db2.gz BYGVIMKUFAKWLD-SJLPKXTDSA-N 1 0 302.462 3.331 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(=O)OC(C)(C)C ZINC001560596867 1189346014 /nfs/dbraw/zinc/34/60/14/1189346014.db2.gz VBEINVSTIYHGDL-OAHLLOKOSA-N 1 0 307.434 3.461 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(Cl)ccnc2Cl)c(O)c1 ZINC001560784609 1189381126 /nfs/dbraw/zinc/38/11/26/1189381126.db2.gz QVDXGTBSLDZVHU-UHFFFAOYSA-N 1 0 313.184 3.392 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC001560845482 1189393716 /nfs/dbraw/zinc/39/37/16/1189393716.db2.gz VKAHZSQSJKOYIA-PKOBYXMFSA-N 1 0 303.446 3.402 20 10 DGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001560950903 1189410395 /nfs/dbraw/zinc/41/03/95/1189410395.db2.gz RODCWCBGEHJNJL-XJKSGUPXSA-N 1 0 305.418 3.147 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C2CCCCCC2)c1 ZINC001560973049 1189413519 /nfs/dbraw/zinc/41/35/19/1189413519.db2.gz HPVFLSPFBPDOPL-KRWDZBQOSA-N 1 0 318.461 3.288 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCC23CC3)N(C)C)cc1 ZINC001561040675 1189425494 /nfs/dbraw/zinc/42/54/94/1189425494.db2.gz XDZVGVPBTZCGJB-QZTJIDSGSA-N 1 0 301.478 3.278 20 10 DGCDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001620717794 1193794731 /nfs/dbraw/zinc/79/47/31/1193794731.db2.gz VVNXXAOIYGRFFV-CQSZACIVSA-N 1 0 310.445 3.418 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+]CCC(F)F)ccc1N1CCCCC1 ZINC001621103406 1193802268 /nfs/dbraw/zinc/80/22/68/1193802268.db2.gz XJJSHQCTZSKAOE-UHFFFAOYSA-N 1 0 313.348 3.330 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(C)(C)C1(O)CCCC1 ZINC001621392997 1193837073 /nfs/dbraw/zinc/83/70/73/1193837073.db2.gz KODORXRWRQBGOB-UHFFFAOYSA-N 1 0 304.478 3.482 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]CC(C)(C)C2(O)CCOCC2)c1 ZINC001621399780 1193837271 /nfs/dbraw/zinc/83/72/71/1193837271.db2.gz PHLHUPMGDSRKMH-UHFFFAOYSA-N 1 0 321.461 3.173 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2O)[C@@H]1SC ZINC001621409521 1193839266 /nfs/dbraw/zinc/83/92/66/1193839266.db2.gz YYROTLXKSLTRIF-BNOWGMLFSA-N 1 0 301.839 3.044 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c(O)c1 ZINC001621422859 1193841159 /nfs/dbraw/zinc/84/11/59/1193841159.db2.gz FXVFWRAGMFUHFI-XIKOKIGWSA-N 1 0 319.376 3.060 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CC=C(C(=O)OC)C2)cc1C ZINC001621438348 1193843046 /nfs/dbraw/zinc/84/30/46/1193843046.db2.gz MQOSXTZRMBQQKT-MRXNPFEDSA-N 1 0 303.402 3.135 20 10 DGCDRO CC1CCC([NH+]2CCN(Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC001641791551 1194871622 /nfs/dbraw/zinc/87/16/22/1194871622.db2.gz NVYICZRZKDYECZ-UHFFFAOYSA-N 1 0 315.505 3.449 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H](CO)[C@@H]2C)ccc1N1CCCCC1 ZINC001642906451 1194952600 /nfs/dbraw/zinc/95/26/00/1194952600.db2.gz RZCBDUPYIXPZBC-FUHWJXTLSA-N 1 0 302.462 3.188 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN(C)CC[NH+]2CCCCC2)c1O ZINC001643637481 1195041509 /nfs/dbraw/zinc/04/15/09/1195041509.db2.gz UMUWGHWROUORLM-UHFFFAOYSA-N 1 0 324.852 3.166 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC001644417894 1195107415 /nfs/dbraw/zinc/10/74/15/1195107415.db2.gz MMGDROYRTKTFDZ-BGYRXZFFSA-N 1 0 310.441 3.283 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@H](COC)C(C)C)CC2)cc1 ZINC001644993699 1195148143 /nfs/dbraw/zinc/14/81/43/1195148143.db2.gz PQNWRCFIOWIAJT-QGZVFWFLSA-N 1 0 320.477 3.126 20 10 DGCDRO CCc1nc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c[nH]1 ZINC001646317553 1195221997 /nfs/dbraw/zinc/22/19/97/1195221997.db2.gz KWMDSSHUJVBNDA-UHFFFAOYSA-N 1 0 322.412 3.310 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(C)ns2)cc1 ZINC001646720497 1195237116 /nfs/dbraw/zinc/23/71/16/1195237116.db2.gz UKDQTFAGKFVUHG-UHFFFAOYSA-N 1 0 305.447 3.028 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCC(C)(C)CO2)cc1 ZINC001646717685 1195237215 /nfs/dbraw/zinc/23/72/15/1195237215.db2.gz CVWCVDWXDOQZQT-SFHVURJKSA-N 1 0 320.477 3.268 20 10 DGCDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001648702852 1195323962 /nfs/dbraw/zinc/32/39/62/1195323962.db2.gz JDYTXQPNMXXFCM-YJBOKZPZSA-N 1 0 319.468 3.246 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H](CC)N2CCCC2)ccc1OC ZINC001648772777 1195330410 /nfs/dbraw/zinc/33/04/10/1195330410.db2.gz WLCTYBZQEORBJS-SFHVURJKSA-N 1 0 320.477 3.196 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1C ZINC001651070848 1195409635 /nfs/dbraw/zinc/40/96/35/1195409635.db2.gz HASJZFZIXIRTJB-WMZOPIPTSA-N 1 0 323.477 3.031 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C(=O)NCC)C(C)C)cc1C ZINC001651122865 1195416706 /nfs/dbraw/zinc/41/67/06/1195416706.db2.gz OGHZITFCUALATR-KRWDZBQOSA-N 1 0 306.450 3.034 20 10 DGCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001652220491 1195564726 /nfs/dbraw/zinc/56/47/26/1195564726.db2.gz CBOUIUCJUHEKFY-HSMVNMDESA-N 1 0 312.404 3.012 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1 ZINC001652535505 1195614547 /nfs/dbraw/zinc/61/45/47/1195614547.db2.gz PMYDQSRKGWWXDB-KRWDZBQOSA-N 1 0 312.413 3.222 20 10 DGCDRO CCOC(OCC)[C@@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC001653287836 1195707668 /nfs/dbraw/zinc/70/76/68/1195707668.db2.gz IYJPFTRWBLJTFD-CYBMUJFWSA-N 1 0 303.402 3.423 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC1(C)C ZINC001654775377 1195838540 /nfs/dbraw/zinc/83/85/40/1195838540.db2.gz PEFWQIZOTAVPAM-ZWKOTPCHSA-N 1 0 302.462 3.438 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CC1(C)C ZINC001654775375 1195839412 /nfs/dbraw/zinc/83/94/12/1195839412.db2.gz PEFWQIZOTAVPAM-QZTJIDSGSA-N 1 0 302.462 3.438 20 10 DGCDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)CC1CC2(CCC2)C1 ZINC001654805738 1195843471 /nfs/dbraw/zinc/84/34/71/1195843471.db2.gz AICDIRKXUHHGTC-UHFFFAOYSA-N 1 0 317.429 3.338 20 10 DGCDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001655144358 1195882134 /nfs/dbraw/zinc/88/21/34/1195882134.db2.gz PPNBMDHFENRKIB-DOTOQJQBSA-N 1 0 317.477 3.022 20 10 DGCDRO Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC001655350600 1195906348 /nfs/dbraw/zinc/90/63/48/1195906348.db2.gz HPQOYCRMJKNLQX-UHFFFAOYSA-N 1 0 313.420 3.498 20 10 DGCDRO CNC(=O)c1cccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC001655436933 1195916638 /nfs/dbraw/zinc/91/66/38/1195916638.db2.gz UAKQWGPXPKWDTL-UHFFFAOYSA-N 1 0 318.804 3.003 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCOc2cccnc2)cc1C ZINC001655632532 1195942617 /nfs/dbraw/zinc/94/26/17/1195942617.db2.gz PUAYUJNYVNWNIM-UHFFFAOYSA-N 1 0 300.402 3.347 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(C)CCCS2)cc1F ZINC001655906897 1195975683 /nfs/dbraw/zinc/97/56/83/1195975683.db2.gz ZDFMXDVOCVGUBW-OAHLLOKOSA-N 1 0 300.418 3.406 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1C ZINC001655939909 1195980301 /nfs/dbraw/zinc/98/03/01/1195980301.db2.gz IGDPZYALOAEIEB-AWEZNQCLSA-N 1 0 305.340 3.187 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2CCCC(C)(C)C2)cc1 ZINC001656160157 1196012288 /nfs/dbraw/zinc/01/22/88/1196012288.db2.gz UUIOKOITDJIUKZ-ALCCZGGFSA-N 1 0 315.505 3.477 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC001656195505 1196016931 /nfs/dbraw/zinc/01/69/31/1196016931.db2.gz VHGYOWJPILLGLJ-HXUWFJFHSA-N 1 0 324.468 3.228 20 10 DGCDRO Fc1ccc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)c(F)c1 ZINC001656688144 1196062610 /nfs/dbraw/zinc/06/26/10/1196062610.db2.gz HMQFQFHNABLPPX-UHFFFAOYSA-N 1 0 319.351 3.458 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001657056226 1196097826 /nfs/dbraw/zinc/09/78/26/1196097826.db2.gz NNSADDRUORZNGA-FPXQDXNASA-N 1 0 300.446 3.313 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]([S@@](C)=O)C2)cc1C ZINC001657085238 1196103169 /nfs/dbraw/zinc/10/31/69/1196103169.db2.gz JMQWWYACHHWWSU-VWKPWSFCSA-N 1 0 309.475 3.173 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC001657410550 1196138300 /nfs/dbraw/zinc/13/83/00/1196138300.db2.gz QANUCYKBIACQCJ-WOJBJXKFSA-N 1 0 316.489 3.420 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001657506886 1196149815 /nfs/dbraw/zinc/14/98/15/1196149815.db2.gz BJZWFWQPSDIEPV-UHFFFAOYSA-N 1 0 305.740 3.122 20 10 DGCDRO CN(C)c1ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC001657701720 1196170567 /nfs/dbraw/zinc/17/05/67/1196170567.db2.gz OLKYYPAFHPCYSN-INIZCTEOSA-N 1 0 319.468 3.388 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC001657855403 1196185045 /nfs/dbraw/zinc/18/50/45/1196185045.db2.gz PJFZEYUVKFFNQR-IBGZPJMESA-N 1 0 302.462 3.452 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC001658002571 1196200201 /nfs/dbraw/zinc/20/02/01/1196200201.db2.gz DQEXDOPTBAPGGC-YLJYHZDGSA-N 1 0 312.457 3.373 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](c2nncn2C)C(C)C)c1 ZINC001658064653 1196208746 /nfs/dbraw/zinc/20/87/46/1196208746.db2.gz JKNWQMBCDYZOIC-MRXNPFEDSA-N 1 0 302.422 3.131 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1C ZINC001658176128 1196220965 /nfs/dbraw/zinc/22/09/65/1196220965.db2.gz ZHWJHHUFOMYWBH-KZNAEPCWSA-N 1 0 302.462 3.214 20 10 DGCDRO COCC1(C[NH2+]Cc2cc(C(C)C)ccc2O)CCOCC1 ZINC001658253314 1196231706 /nfs/dbraw/zinc/23/17/06/1196231706.db2.gz QSRPUUWLKMJLMF-UHFFFAOYSA-N 1 0 307.434 3.048 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2COc3c(C)cccc3C2)c1O ZINC001658261489 1196232621 /nfs/dbraw/zinc/23/26/21/1196232621.db2.gz CWNCHHFTRLYMOG-INIZCTEOSA-N 1 0 313.397 3.111 20 10 DGCDRO C[C@H]([NH2+]Cc1cccnc1Br)c1ccccc1O ZINC001658524461 1196269276 /nfs/dbraw/zinc/26/92/76/1196269276.db2.gz XKCMMTMUUFHHHY-JTQLQIEISA-N 1 0 307.191 3.401 20 10 DGCDRO Cc1ccccc1-n1cc(C[NH2+][C@@H](C)c2ccccc2O)nn1 ZINC001658523574 1196270045 /nfs/dbraw/zinc/27/00/45/1196270045.db2.gz DIPXLTAGLMNNSL-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO COC(=O)c1c(C[NH+]2CCCCCC2)c2cc(F)ccc2n1C ZINC001658639986 1196282979 /nfs/dbraw/zinc/28/29/79/1196282979.db2.gz GCPNZBPPNWRMRO-UHFFFAOYSA-N 1 0 318.392 3.480 20 10 DGCDRO C[C@H](O)C(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001658707131 1196290581 /nfs/dbraw/zinc/29/05/81/1196290581.db2.gz GVKKXVGZLIDLTH-NSHDSACASA-N 1 0 318.383 3.268 20 10 DGCDRO Cc1cc(O)c(C[N@H+](CCO)CCc2ccccc2)cc1Cl ZINC001659123600 1196347835 /nfs/dbraw/zinc/34/78/35/1196347835.db2.gz CQLMRHLJKVOZPT-UHFFFAOYSA-N 1 0 319.832 3.391 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2cc(F)ccc2N(C)C)c1 ZINC001659131712 1196349720 /nfs/dbraw/zinc/34/97/20/1196349720.db2.gz JTFIYTHVDPSNNS-LBPRGKRZSA-N 1 0 318.392 3.457 20 10 DGCDRO CC[N@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)C1CC1 ZINC001659160684 1196354714 /nfs/dbraw/zinc/35/47/14/1196354714.db2.gz NABHLIBWPWYYBQ-UHFFFAOYSA-N 1 0 304.365 3.088 20 10 DGCDRO COc1cc(C)c(C[NH2+]CCCc2ncccc2C)c(O)c1 ZINC001659209434 1196359050 /nfs/dbraw/zinc/35/90/50/1196359050.db2.gz CHLMRDCQKHGERS-UHFFFAOYSA-N 1 0 300.402 3.135 20 10 DGCDRO CC1(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCCC1 ZINC001659414245 1196380350 /nfs/dbraw/zinc/38/03/50/1196380350.db2.gz HWCXZHNVXGJKOP-UHFFFAOYSA-N 1 0 324.415 3.471 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)ccc1N1CCCCC1 ZINC001659535561 1196393071 /nfs/dbraw/zinc/39/30/71/1196393071.db2.gz AMLRKDQUJCGBTR-LPHOPBHVSA-N 1 0 316.489 3.436 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc3c2OC(F)(F)O3)c1 ZINC001659689508 1196406067 /nfs/dbraw/zinc/40/60/67/1196406067.db2.gz FTLRXHOPLMWKAU-UHFFFAOYSA-N 1 0 307.296 3.312 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)c(F)c1)c1ccccc1O ZINC001659815901 1196417222 /nfs/dbraw/zinc/41/72/22/1196417222.db2.gz YFSWHRSUDYPDIP-MNOVXSKESA-N 1 0 320.339 3.348 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@H+](C)CCNC(=O)OC(C)(C)C)c1 ZINC001659970332 1196433766 /nfs/dbraw/zinc/43/37/66/1196433766.db2.gz WXASNCNFEQKDDE-UHFFFAOYSA-N 1 0 322.449 3.472 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2cccc3c2OCCO3)c1O ZINC001660062980 1196441799 /nfs/dbraw/zinc/44/17/99/1196441799.db2.gz VCVHQMIYBORVGA-UHFFFAOYSA-N 1 0 313.397 3.058 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001660413211 1196480999 /nfs/dbraw/zinc/48/09/99/1196480999.db2.gz RNNIEYCXLJXANQ-SFHVURJKSA-N 1 0 305.418 3.397 20 10 DGCDRO CN(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)Cc1ccccc1 ZINC001660777204 1196523050 /nfs/dbraw/zinc/52/30/50/1196523050.db2.gz GSZRFMQVYPQUSD-HXUWFJFHSA-N 1 0 324.468 3.274 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)c(O)c1 ZINC001660796746 1196525989 /nfs/dbraw/zinc/52/59/89/1196525989.db2.gz TZRYJXVVBSTOQF-AWEZNQCLSA-N 1 0 307.434 3.394 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCCOc2ccccc2)cc1F ZINC001660817464 1196528923 /nfs/dbraw/zinc/52/89/23/1196528923.db2.gz VUZOTRPEBMMBML-UHFFFAOYSA-N 1 0 302.393 3.450 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCNC(=O)C(C)(C)C)cc1C ZINC001661607601 1196623985 /nfs/dbraw/zinc/62/39/85/1196623985.db2.gz PZMVPLWQUHOKJG-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cccnc3C3CC3)cc2)CC1 ZINC001663422064 1196864666 /nfs/dbraw/zinc/86/46/66/1196864666.db2.gz DBXASNGOKSMMSR-UHFFFAOYSA-N 1 0 322.456 3.323 20 10 DGCDRO CC(C)n1ncc2c1[C@@H]([NH2+]Cc1cc(F)ccc1O)CCC2 ZINC001664171362 1196977263 /nfs/dbraw/zinc/97/72/63/1196977263.db2.gz WMZUEWKDZYSWOQ-HNNXBMFYSA-N 1 0 303.381 3.476 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)[C@@H](C)C(=O)OCC)cc1C ZINC001664213711 1196980628 /nfs/dbraw/zinc/98/06/28/1196980628.db2.gz UBLBCNIOZZPYGS-HUUCEWRRSA-N 1 0 307.434 3.461 20 10 DGCDRO CN(C)c1cc(F)c(CN2CCOCC3(CCCC3)C2)cc1F ZINC001664359689 1196991533 /nfs/dbraw/zinc/99/15/33/1196991533.db2.gz XKAXDKVNFZAYMD-UHFFFAOYSA-N 1 0 324.415 3.423 20 10 DGCDRO CCC[C@]1(CO)CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001664518433 1197008439 /nfs/dbraw/zinc/00/84/39/1197008439.db2.gz FHMOPXZQTPWZGL-SUOMESGTSA-N 1 0 302.462 3.393 20 10 DGCDRO Cc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)NC(C)C)c(O)c1 ZINC001664640407 1197024243 /nfs/dbraw/zinc/02/42/43/1197024243.db2.gz SGUBZFGPTGZIOL-INIZCTEOSA-N 1 0 320.433 3.190 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@]2(C)CCCS2)cc1 ZINC001665163846 1197104534 /nfs/dbraw/zinc/10/45/34/1197104534.db2.gz GAAWRQRTHFKSDI-KRWDZBQOSA-N 1 0 308.491 3.349 20 10 DGCDRO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC001665408727 1197132548 /nfs/dbraw/zinc/13/25/48/1197132548.db2.gz YWVKWGREKSLWFH-IAGOWNOFSA-N 1 0 321.461 3.434 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCCCCCNC(=O)CC2)c1 ZINC001665429418 1197136792 /nfs/dbraw/zinc/13/67/92/1197136792.db2.gz NWWSVRQADRLMMB-UHFFFAOYSA-N 1 0 318.461 3.398 20 10 DGCDRO COC[C@@H]([NH2+]Cc1cc(C(C)C)ccc1O)[C@@H]1CCCOC1 ZINC001665672692 1197168761 /nfs/dbraw/zinc/16/87/61/1197168761.db2.gz MEKYWMQGWJUEMS-NVXWUHKLSA-N 1 0 307.434 3.047 20 10 DGCDRO CSC1(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC001665862398 1197208762 /nfs/dbraw/zinc/20/87/62/1197208762.db2.gz CJSQIBYDYDYHQT-QGZVFWFLSA-N 1 0 321.534 3.231 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCCC2)c(O)c1OC ZINC001665931027 1197218007 /nfs/dbraw/zinc/21/80/07/1197218007.db2.gz DEQVJLLLQNPNQR-GJZGRUSLSA-N 1 0 305.418 3.325 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)C2CC2)cc1C ZINC001668015040 1197395597 /nfs/dbraw/zinc/39/55/97/1197395597.db2.gz DWQCRWWZSZCTPG-CABCVRRESA-N 1 0 318.461 3.034 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCC(=O)N1CCCCC1 ZINC000322661333 1197687899 /nfs/dbraw/zinc/68/78/99/1197687899.db2.gz FYCVAOUACQKONV-GJZGRUSLSA-N 1 0 316.445 3.241 20 10 DGCDRO CCc1nnc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)s1 ZINC000391877716 1197716261 /nfs/dbraw/zinc/71/62/61/1197716261.db2.gz RUCJBTUSCRPERW-GHMZBOCLSA-N 1 0 303.431 3.453 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2(C)CC2)cc1C ZINC001675903708 1198168616 /nfs/dbraw/zinc/16/86/16/1198168616.db2.gz ODNSXEBYWHJDCQ-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCOCC(F)(F)F ZINC000111637276 1199629375 /nfs/dbraw/zinc/62/93/75/1199629375.db2.gz NTTVRAKXCADQSR-QWRGUYRKSA-N 1 0 303.324 3.417 20 10 DGCDRO CCC(C)(C)C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001754164739 1200119359 /nfs/dbraw/zinc/11/93/59/1200119359.db2.gz NVUSTJWFVXFWDW-FPLPWBNLSA-N 1 0 318.461 3.202 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)C2CCC2)cc1C ZINC001699409353 1201844982 /nfs/dbraw/zinc/84/49/82/1201844982.db2.gz WOIKFANBSHXFRF-LSDHHAIUSA-N 1 0 318.461 3.034 20 10 DGCDRO CCCCC(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001724785223 1204047212 /nfs/dbraw/zinc/04/72/12/1204047212.db2.gz ZDKCQRKDMSBZBD-UHFFFAOYSA-N 1 0 318.461 3.322 20 10 DGCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593267701 994590652 /nfs/dbraw/zinc/59/06/52/994590652.db2.gz RAPALNWJVLTPSJ-ZIAGYGMSSA-N 1 0 320.433 3.006 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001169664603 1081622707 /nfs/dbraw/zinc/62/27/07/1081622707.db2.gz PWTKAFQTVORFHS-HNNXBMFYSA-N 1 0 320.433 3.110 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)c1O ZINC001169748037 1081641555 /nfs/dbraw/zinc/64/15/55/1081641555.db2.gz QBRSACYOLQYSNL-SFHVURJKSA-N 1 0 324.424 3.095 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-n2nnc3ccc(C[NH3+])cc32)cc1 ZINC001170023813 1081920871 /nfs/dbraw/zinc/92/08/71/1081920871.db2.gz MZIQYZQWLGVQDE-UHFFFAOYSA-N 1 0 317.396 3.287 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC(C)(C)C)C2)cc1C ZINC001266576603 1082018789 /nfs/dbraw/zinc/01/87/89/1082018789.db2.gz RSDSBBHZCIVOMN-WKILWMFISA-N 1 0 318.461 3.177 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cnc4ccoc4c3)cc2)CC1 ZINC001167434725 1082114004 /nfs/dbraw/zinc/11/40/04/1082114004.db2.gz UKZYLHDANYHDBM-UHFFFAOYSA-N 1 0 322.412 3.192 20 10 DGCDRO CCc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167436885 1082121915 /nfs/dbraw/zinc/12/19/15/1082121915.db2.gz FAKJQWVCILBGRK-UHFFFAOYSA-N 1 0 310.445 3.008 20 10 DGCDRO CCC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266968444 1082387757 /nfs/dbraw/zinc/38/77/57/1082387757.db2.gz VPZLHEZVPMAENX-CQSZACIVSA-N 1 0 306.450 3.034 20 10 DGCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001170503323 1082592600 /nfs/dbraw/zinc/59/26/00/1082592600.db2.gz KHCFRTJZVPRWTF-IAGOWNOFSA-N 1 0 316.445 3.108 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[C@@H]2C)cc1C ZINC001133058318 1083037794 /nfs/dbraw/zinc/03/77/94/1083037794.db2.gz WNCLVRSSLNKRFD-YOEHRIQHSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@@H](C)C2)cc1C ZINC001133077256 1083045829 /nfs/dbraw/zinc/04/58/29/1083045829.db2.gz SGKNSQUMFFUXBA-PBHICJAKSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC(C)(C)C2)cc1C ZINC001133536658 1083144910 /nfs/dbraw/zinc/14/49/10/1083144910.db2.gz BBUAGALVLGMJNL-MRXNPFEDSA-N 1 0 318.461 3.036 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC001140923649 1083185593 /nfs/dbraw/zinc/18/55/93/1083185593.db2.gz FRKMCBZZFQSZLU-INIZCTEOSA-N 1 0 307.869 3.076 20 10 DGCDRO CN1CCOc2cc(C[N@@H+]3CCc4ccsc4C3)ccc21 ZINC001141143312 1083361119 /nfs/dbraw/zinc/36/11/19/1083361119.db2.gz ULYYRHOIRZBYSY-UHFFFAOYSA-N 1 0 300.427 3.135 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2cccc(C)c2OC)c(O)c1 ZINC001182625430 1083762499 /nfs/dbraw/zinc/76/24/99/1083762499.db2.gz PGXHVZGDXFMBKD-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO COc1ccc(C[NH2+]C2CCC(F)(F)CC2)c(O)c1OC ZINC001343018702 1084204301 /nfs/dbraw/zinc/20/43/01/1084204301.db2.gz CABVCFNTVUCABW-UHFFFAOYSA-N 1 0 301.333 3.077 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC001203602374 1084290970 /nfs/dbraw/zinc/29/09/70/1084290970.db2.gz RNLONMVXEVXVKH-CABCVRRESA-N 1 0 303.402 3.125 20 10 DGCDRO Cc1ccn2c(C[N@@H+](C)Cc3ccc(N(C)C)cc3)cnc2c1 ZINC000155176368 1084726608 /nfs/dbraw/zinc/72/66/08/1084726608.db2.gz NVWAFNCCNACGKP-UHFFFAOYSA-N 1 0 308.429 3.341 20 10 DGCDRO CC[N@@H+]1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000155348796 1084772110 /nfs/dbraw/zinc/77/21/10/1084772110.db2.gz JLQJTMLAXYAMQT-UHFFFAOYSA-N 1 0 301.478 3.205 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC001652346881 1126253644 /nfs/dbraw/zinc/25/36/44/1126253644.db2.gz RWVJCEQKPOQCOZ-SFHVURJKSA-N 1 0 317.404 3.348 20 10 DGCDRO CCC(CC)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001270895168 1086156215 /nfs/dbraw/zinc/15/62/15/1086156215.db2.gz IJFIZDFJPFPDCU-OAHLLOKOSA-N 1 0 320.477 3.376 20 10 DGCDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001168155908 1086998668 /nfs/dbraw/zinc/99/86/68/1086998668.db2.gz ILLOEERJGMTASN-NSHDSACASA-N 1 0 319.788 3.155 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1ccccc1O ZINC000697891560 1087373255 /nfs/dbraw/zinc/37/32/55/1087373255.db2.gz ZAIHLIVYAPNTIU-QWHCGFSZSA-N 1 0 308.422 3.204 20 10 DGCDRO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC001154667939 1088700375 /nfs/dbraw/zinc/70/03/75/1088700375.db2.gz AEBBDNCMSHANOY-ZVZYQTTQSA-N 1 0 317.477 3.050 20 10 DGCDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCC[C@H]1[NH3+] ZINC001236214126 1088711812 /nfs/dbraw/zinc/71/18/12/1088711812.db2.gz QJICGBZQINHIKP-OLZOCXBDSA-N 1 0 303.233 3.401 20 10 DGCDRO Cc1cccc(CNc2cc(Cl)nc3c2CC[NH2+]C3)c1O ZINC001160769853 1088950689 /nfs/dbraw/zinc/95/06/89/1088950689.db2.gz LRELLTYWZHTFTE-UHFFFAOYSA-N 1 0 303.793 3.007 20 10 DGCDRO Cc1cc(C)c(CNc2cc(Cl)nc3c2CC[NH2+]C3)c(O)c1 ZINC001160811554 1088976181 /nfs/dbraw/zinc/97/61/81/1088976181.db2.gz QPEZNBWOXZRUIU-UHFFFAOYSA-N 1 0 317.820 3.315 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)/C=C/C(C)(C)C)cc1C ZINC001155827423 1089258604 /nfs/dbraw/zinc/25/86/04/1089258604.db2.gz ABMCRLWKRVROEY-MDZDMXLPSA-N 1 0 318.461 3.202 20 10 DGCDRO CCC(=CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1)CC ZINC001156488773 1089547258 /nfs/dbraw/zinc/54/72/58/1089547258.db2.gz YCICXYQCFXTISJ-UHFFFAOYSA-N 1 0 318.461 3.346 20 10 DGCDRO CCCC(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001163162383 1090096096 /nfs/dbraw/zinc/09/60/96/1090096096.db2.gz REZDMEPPIBLGCJ-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO COC(=O)C1(C)CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237687634 1090317448 /nfs/dbraw/zinc/31/74/48/1090317448.db2.gz PBBZWFBJETZMQV-UHFFFAOYSA-N 1 0 311.809 3.129 20 10 DGCDRO [NH3+]CC[C@H]1CN(c2cc(-c3cccnc3)ncn2)c2ccccc21 ZINC001168544068 1090524927 /nfs/dbraw/zinc/52/49/27/1090524927.db2.gz MHVJJIJZTFNWKG-HNNXBMFYSA-N 1 0 317.396 3.123 20 10 DGCDRO CCCC(C)(C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001165591038 1090532515 /nfs/dbraw/zinc/53/25/15/1090532515.db2.gz IYJQKHVXZRWWHN-UHFFFAOYSA-N 1 0 320.477 3.426 20 10 DGCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccccc2O)CC1(C)C ZINC001203555712 1090598261 /nfs/dbraw/zinc/59/82/61/1090598261.db2.gz DGNJJFUOVVNTJM-UHFFFAOYSA-N 1 0 320.433 3.224 20 10 DGCDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2O)C1 ZINC001203558555 1090614386 /nfs/dbraw/zinc/61/43/86/1090614386.db2.gz MVNAEWFGALSTSK-HIFRSBDPSA-N 1 0 320.433 3.127 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CCN(c2cc(OC)cc[nH+]2)C1 ZINC001166819208 1090662831 /nfs/dbraw/zinc/66/28/31/1090662831.db2.gz QWKBGZKIOUMTQP-UHFFFAOYSA-N 1 0 323.396 3.153 20 10 DGCDRO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC001203556461 1090753951 /nfs/dbraw/zinc/75/39/51/1090753951.db2.gz PVUQOIWMMHWPFB-OAHLLOKOSA-N 1 0 320.433 3.224 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1O ZINC001203556009 1090754566 /nfs/dbraw/zinc/75/45/66/1090754566.db2.gz IMBIUOBNASYMGW-QRTARXTBSA-N 1 0 317.429 3.334 20 10 DGCDRO Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](Cc1ccccc1O)C2 ZINC001203556950 1090756013 /nfs/dbraw/zinc/75/60/13/1090756013.db2.gz XIDQHPGSTZCPAP-UHFFFAOYSA-N 1 0 323.440 3.328 20 10 DGCDRO CCCCCC[NH+]1CCN(Cc2cccc(OCC)c2O)CC1 ZINC001203609523 1090766649 /nfs/dbraw/zinc/76/66/49/1090766649.db2.gz WVURRYXRIXFMJJ-UHFFFAOYSA-N 1 0 320.477 3.489 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2)c(O)c1 ZINC001203628766 1090768915 /nfs/dbraw/zinc/76/89/15/1090768915.db2.gz FFJHIBFFURFVER-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cccc(OC)c2OC)c(O)c1 ZINC001203628474 1090769268 /nfs/dbraw/zinc/76/92/68/1090769268.db2.gz AJABIQUUCNAYBN-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001203650769 1090773427 /nfs/dbraw/zinc/77/34/27/1090773427.db2.gz BADYNWPBWCXPKU-UHFFFAOYSA-N 1 0 317.763 3.436 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001203665503 1090775253 /nfs/dbraw/zinc/77/52/53/1090775253.db2.gz MVIYCRKAYCEKIQ-GJZGRUSLSA-N 1 0 312.816 3.054 20 10 DGCDRO C[N@H+](Cc1cccc2c1OCO2)Cc1cc(Cl)ccc1O ZINC001203665500 1090776171 /nfs/dbraw/zinc/77/61/71/1090776171.db2.gz MMVSSQBQGHDUIB-UHFFFAOYSA-N 1 0 305.761 3.406 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664281 1090776385 /nfs/dbraw/zinc/77/63/85/1090776385.db2.gz VTAJSHXCVRVNIX-GFCCVEGCSA-N 1 0 311.809 3.211 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c1 ZINC001203675313 1090777751 /nfs/dbraw/zinc/77/77/51/1090777751.db2.gz UNJAFCKDOLLGOH-SFHVURJKSA-N 1 0 313.397 3.192 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)c1 ZINC001203675499 1090778092 /nfs/dbraw/zinc/77/80/92/1090778092.db2.gz YYKPNVNFUQOLHN-QGZVFWFLSA-N 1 0 313.397 3.363 20 10 DGCDRO CCc1noc([C@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937637 1090843979 /nfs/dbraw/zinc/84/39/79/1090843979.db2.gz IIQADHNSDNHZGY-HNNXBMFYSA-N 1 0 314.433 3.078 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CC)CCn2cccn2)cc1 ZINC001203942884 1090845545 /nfs/dbraw/zinc/84/55/45/1090845545.db2.gz XCLKVMVOCDVMOM-UHFFFAOYSA-N 1 0 300.450 3.251 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CCC(=O)OC)C2CC2)cc1 ZINC001203943777 1090846453 /nfs/dbraw/zinc/84/64/53/1090846453.db2.gz GTPTTZKKPHSFOM-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)cc1 ZINC001203946574 1090847855 /nfs/dbraw/zinc/84/78/55/1090847855.db2.gz WCGVBWFRWUOYJY-LJQANCHMSA-N 1 0 301.478 3.201 20 10 DGCDRO Oc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)c(O)c1 ZINC001204274702 1090938096 /nfs/dbraw/zinc/93/80/96/1090938096.db2.gz GTQFSJCXTOYTNV-UHFFFAOYSA-N 1 0 313.397 3.279 20 10 DGCDRO Oc1ccc(C[NH+]2CCC(n3ncc4ccccc43)CC2)c(O)c1 ZINC001204279078 1090938781 /nfs/dbraw/zinc/93/87/81/1090938781.db2.gz PRYOWYUTEJIETK-UHFFFAOYSA-N 1 0 323.396 3.285 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCC[C@@]1(C)O ZINC001204324379 1090949415 /nfs/dbraw/zinc/94/94/15/1090949415.db2.gz KZRCEHWVHVUUNT-QFBILLFUSA-N 1 0 302.462 3.270 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc(O)c1O ZINC001204345153 1090952875 /nfs/dbraw/zinc/95/28/75/1090952875.db2.gz IHDHTVLSJYBBSI-AWEZNQCLSA-N 1 0 317.360 3.235 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc(O)c1O ZINC001204344898 1090952908 /nfs/dbraw/zinc/95/29/08/1090952908.db2.gz KUFOWNLYVUBECD-CYBMUJFWSA-N 1 0 317.360 3.235 20 10 DGCDRO CC[N@H+](Cc1cccc(F)c1)Cc1cc(O)c(O)c(OC)c1 ZINC001204344805 1090953007 /nfs/dbraw/zinc/95/30/07/1090953007.db2.gz DMPNIEFNMQHIHH-UHFFFAOYSA-N 1 0 305.349 3.268 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1OC ZINC001204361231 1090955912 /nfs/dbraw/zinc/95/59/12/1090955912.db2.gz DWDLDNMIBCNISE-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC001204762865 1091032841 /nfs/dbraw/zinc/03/28/41/1091032841.db2.gz GPPLMAZDKKNGFN-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO CN(Cc1c(O)cccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137831873 1091092813 /nfs/dbraw/zinc/09/28/13/1091092813.db2.gz QQYSQNNNDGTBMA-MRXNPFEDSA-N 1 0 314.404 3.238 20 10 DGCDRO COC(=O)CC[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC001138220628 1091120034 /nfs/dbraw/zinc/12/00/34/1091120034.db2.gz JHHNJDGXMJIFBO-UHFFFAOYSA-N 1 0 316.445 3.204 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001138220838 1091120385 /nfs/dbraw/zinc/12/03/85/1091120385.db2.gz PFBWFPVNRMDCGR-LJQANCHMSA-N 1 0 300.446 3.432 20 10 DGCDRO COC(=O)CC1CC[NH+](Cc2c(C)n(C)c3ccccc23)CC1 ZINC001138253668 1091126660 /nfs/dbraw/zinc/12/66/60/1091126660.db2.gz BOMFJAQEGKSDTP-UHFFFAOYSA-N 1 0 314.429 3.262 20 10 DGCDRO CC[C@@H]1CCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337777 1091144846 /nfs/dbraw/zinc/14/48/46/1091144846.db2.gz YPROBFOTXLFNKM-MRXNPFEDSA-N 1 0 300.446 3.465 20 10 DGCDRO C[C@]1(CF)CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337641 1091144916 /nfs/dbraw/zinc/14/49/16/1091144916.db2.gz CHVABANIMBKMCK-LJQANCHMSA-N 1 0 318.436 3.273 20 10 DGCDRO C[C@@H]1CCCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336728 1091145656 /nfs/dbraw/zinc/14/56/56/1091145656.db2.gz XQDDTAUOSJNVHQ-CQSZACIVSA-N 1 0 300.446 3.465 20 10 DGCDRO C[C@]1(F)CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138338218 1091146914 /nfs/dbraw/zinc/14/69/14/1091146914.db2.gz NOEZDOQCQFYLFB-IBGZPJMESA-N 1 0 318.436 3.415 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H](COCC4CC4)C3)ccc21 ZINC001138356469 1091150319 /nfs/dbraw/zinc/15/03/19/1091150319.db2.gz OWCRSELULVSQMK-SFHVURJKSA-N 1 0 314.473 3.318 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCC[C@]1(C)O ZINC001138354344 1091150355 /nfs/dbraw/zinc/15/03/55/1091150355.db2.gz GIDCZNQYBAJPSD-BEFAXECRSA-N 1 0 302.462 3.052 20 10 DGCDRO CN1CCCc2cc(C[NH+]3CC4(C3)C[C@@H](F)CS4)ccc21 ZINC001138356301 1091150796 /nfs/dbraw/zinc/15/07/96/1091150796.db2.gz KAHBYHDYVKTKGH-OAHLLOKOSA-N 1 0 306.450 3.098 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c(OC)c1 ZINC001138386012 1091161438 /nfs/dbraw/zinc/16/14/38/1091161438.db2.gz DQWNIJUQEZHXLL-YJBOKZPZSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(OC)c1 ZINC001138389280 1091163378 /nfs/dbraw/zinc/16/33/78/1091163378.db2.gz ICRKXDYGCNENFS-LSBZLQRGSA-N 1 0 318.461 3.008 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(OC)c1 ZINC001138390344 1091166008 /nfs/dbraw/zinc/16/60/08/1091166008.db2.gz RYJGFWZLMQJPOF-LJQANCHMSA-N 1 0 318.461 3.296 20 10 DGCDRO C[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2O)C[C@H]1C[NH3+] ZINC001205314551 1091180301 /nfs/dbraw/zinc/18/03/01/1091180301.db2.gz BRPWNWKAFLBRRZ-MWLCHTKSSA-N 1 0 303.233 3.116 20 10 DGCDRO CC1CCC([NH+]2CCN(Cc3c(O)cccc3F)CC2)CC1 ZINC001137837782 1091207782 /nfs/dbraw/zinc/20/77/82/1091207782.db2.gz UTTJCDKCIFGHKF-UHFFFAOYSA-N 1 0 306.425 3.228 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1c(O)cccc1F ZINC001137837753 1091208480 /nfs/dbraw/zinc/20/84/80/1091208480.db2.gz SZAIAJGOPGGUDC-OAHLLOKOSA-N 1 0 314.404 3.238 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(SC)nc1 ZINC001138708448 1091293799 /nfs/dbraw/zinc/29/37/99/1091293799.db2.gz VADIBYRBSYEGLY-UHFFFAOYSA-N 1 0 316.474 3.287 20 10 DGCDRO Cn1ncc2ccc(C[NH2+]Cc3ccc(Cl)cc3O)cc21 ZINC001205967391 1091431200 /nfs/dbraw/zinc/43/12/00/1091431200.db2.gz LXVMZVZPDAWXMB-UHFFFAOYSA-N 1 0 301.777 3.222 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001139124534 1091456384 /nfs/dbraw/zinc/45/63/84/1091456384.db2.gz BTWFWOOMRVRSOP-KGLIPLIRSA-N 1 0 313.397 3.429 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001139129213 1091459569 /nfs/dbraw/zinc/45/95/69/1091459569.db2.gz QSYWNRALEXDPQZ-MRXNPFEDSA-N 1 0 321.323 3.038 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC001206248625 1091549791 /nfs/dbraw/zinc/54/97/91/1091549791.db2.gz ZVLOQFIRLUHSKF-HOTGVXAUSA-N 1 0 303.789 3.354 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)[C@H]1COC(C)(C)O1 ZINC001206327437 1091581307 /nfs/dbraw/zinc/58/13/07/1091581307.db2.gz AURJTXMAHMKPKA-RVKKMQEKSA-N 1 0 320.477 3.122 20 10 DGCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001206371038 1091603854 /nfs/dbraw/zinc/60/38/54/1091603854.db2.gz RECQHJLRPZLRIB-AWEZNQCLSA-N 1 0 320.330 3.064 20 10 DGCDRO C[NH+]1CCC(C2CC[NH+](Cc3c(F)ccc(F)c3[O-])CC2)CC1 ZINC001139683230 1091641635 /nfs/dbraw/zinc/64/16/35/1091641635.db2.gz ILYPXZPIPIEBGI-UHFFFAOYSA-N 1 0 324.415 3.224 20 10 DGCDRO C[C@]1(C[NH3+])CCCCN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001206575864 1091675432 /nfs/dbraw/zinc/67/54/32/1091675432.db2.gz ZYEKFXFENNYDSN-OAHLLOKOSA-N 1 0 300.805 3.136 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CS1 ZINC000691408577 1091738524 /nfs/dbraw/zinc/73/85/24/1091738524.db2.gz YVHRTESXWBTDJH-KWQFWETISA-N 1 0 302.237 3.138 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001140055562 1091751122 /nfs/dbraw/zinc/75/11/22/1091751122.db2.gz KZPJAHSGCALSSA-QGZVFWFLSA-N 1 0 301.361 3.322 20 10 DGCDRO C[C@@]1(c2ccc(F)cc2)CN(Cc2cc(F)ccc2O)CCO1 ZINC001140059147 1091751462 /nfs/dbraw/zinc/75/14/62/1091751462.db2.gz VQCFEMUOURCZNR-SFHVURJKSA-N 1 0 319.351 3.418 20 10 DGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001140098671 1091766594 /nfs/dbraw/zinc/76/65/94/1091766594.db2.gz KNTGRIPYWYXXPD-SNVBAGLBSA-N 1 0 302.187 3.479 20 10 DGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3c(C)ccc(C)c3O)C2)o1 ZINC001140183668 1091793774 /nfs/dbraw/zinc/79/37/74/1091793774.db2.gz FTAITCTUNMCCCY-AWEZNQCLSA-N 1 0 301.390 3.080 20 10 DGCDRO Cc1ccc(C)c(C[N@H+]2CC[C@H](Oc3ncccc3C)C2)c1O ZINC001140184724 1091795313 /nfs/dbraw/zinc/79/53/13/1091795313.db2.gz GANSWKMHLTYHKP-INIZCTEOSA-N 1 0 312.413 3.366 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c1O ZINC001140184721 1091795656 /nfs/dbraw/zinc/79/56/56/1091795656.db2.gz FZEIFVRIGHASSK-GOSISDBHSA-N 1 0 311.425 3.453 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC001140285322 1091817543 /nfs/dbraw/zinc/81/75/43/1091817543.db2.gz IYIHMHSEQCBYAJ-CVEARBPZSA-N 1 0 302.462 3.268 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001140461217 1091874186 /nfs/dbraw/zinc/87/41/86/1091874186.db2.gz HGJWEIOGNYGCEB-UHFFFAOYSA-N 1 0 302.805 3.368 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001140462614 1091876950 /nfs/dbraw/zinc/87/69/50/1091876950.db2.gz JHOPXPHYJDGQLX-ZDUSSCGKSA-N 1 0 323.742 3.325 20 10 DGCDRO C[N@H+](Cc1cccc2c1OCO2)Cc1ccc(Cl)cc1O ZINC001140468775 1091877902 /nfs/dbraw/zinc/87/79/02/1091877902.db2.gz XJOJKABQLVKHBW-UHFFFAOYSA-N 1 0 305.761 3.406 20 10 DGCDRO Oc1cc2c(cc1O)C[N@H+](CCOCc1ccccc1)CCC2 ZINC001207236305 1091896024 /nfs/dbraw/zinc/89/60/24/1091896024.db2.gz AJYYIJWTVAKZBB-UHFFFAOYSA-N 1 0 313.397 3.063 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC001140620892 1091934258 /nfs/dbraw/zinc/93/42/58/1091934258.db2.gz FMWZVEJMQWKKCU-KRWDZBQOSA-N 1 0 301.361 3.493 20 10 DGCDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cc(C)ccc1O ZINC001140622844 1091934352 /nfs/dbraw/zinc/93/43/52/1091934352.db2.gz BQQIGESIPFGLDX-UHFFFAOYSA-N 1 0 322.449 3.389 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001140624081 1091935899 /nfs/dbraw/zinc/93/58/99/1091935899.db2.gz FNKGQZKODJPUFD-HIFRSBDPSA-N 1 0 320.433 3.188 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140660166 1091948410 /nfs/dbraw/zinc/94/84/10/1091948410.db2.gz HYKMXFCEROGSOZ-JKSUJKDBSA-N 1 0 318.436 3.284 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)[C@@H]1C ZINC001140661700 1091950010 /nfs/dbraw/zinc/95/00/10/1091950010.db2.gz OJDHSRLLQHBFNI-HUUCEWRRSA-N 1 0 306.425 3.283 20 10 DGCDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC001207415112 1091960517 /nfs/dbraw/zinc/96/05/17/1091960517.db2.gz JTJNRJNMHLFBMH-MRXNPFEDSA-N 1 0 318.461 3.226 20 10 DGCDRO CCSC[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000164963699 1091984076 /nfs/dbraw/zinc/98/40/76/1091984076.db2.gz KANLCFDQDCZZTO-SECBINFHSA-N 1 0 304.253 3.386 20 10 DGCDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(O)c(C)c3O)C2)cc1 ZINC001140748019 1091984188 /nfs/dbraw/zinc/98/41/88/1091984188.db2.gz RIOOVDWNNLOOIK-HNNXBMFYSA-N 1 0 313.397 3.404 20 10 DGCDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140748179 1091984218 /nfs/dbraw/zinc/98/42/18/1091984218.db2.gz UAEDDGGKUJIHQL-CYBMUJFWSA-N 1 0 315.413 3.478 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1O ZINC001140749699 1091984235 /nfs/dbraw/zinc/98/42/35/1091984235.db2.gz JSGLYIKVHZZIJE-INIZCTEOSA-N 1 0 311.381 3.111 20 10 DGCDRO Cc1c(O)ccc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)c1O ZINC001140747536 1091984726 /nfs/dbraw/zinc/98/47/26/1091984726.db2.gz DXMIDCNBDLDPKY-UHFFFAOYSA-N 1 0 323.396 3.224 20 10 DGCDRO Cc1c(O)ccc(C[N@H+](C2CCCC2)C2CCN(C)CC2)c1O ZINC001140749786 1091984933 /nfs/dbraw/zinc/98/49/33/1091984933.db2.gz NAVMZNACDAXPBD-UHFFFAOYSA-N 1 0 318.461 3.245 20 10 DGCDRO Oc1cc2c(cc1O)C[N@H+](CCc1ccc(F)cc1)CCC2 ZINC001207517739 1092003845 /nfs/dbraw/zinc/00/38/45/1092003845.db2.gz YJSHTUJATWBJGR-UHFFFAOYSA-N 1 0 301.361 3.228 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC001140856579 1092033526 /nfs/dbraw/zinc/03/35/26/1092033526.db2.gz FIJKYTPZMXBBII-SFHVURJKSA-N 1 0 306.450 3.095 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924707 1092064122 /nfs/dbraw/zinc/06/41/22/1092064122.db2.gz NIYHPGHEZGKGBW-KRWDZBQOSA-N 1 0 324.852 3.181 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC001140923445 1092064457 /nfs/dbraw/zinc/06/44/57/1092064457.db2.gz AQGYEYUNSQMMEX-QGZVFWFLSA-N 1 0 321.896 3.466 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC001140923444 1092065664 /nfs/dbraw/zinc/06/56/64/1092065664.db2.gz AQGYEYUNSQMMEX-KRWDZBQOSA-N 1 0 321.896 3.466 20 10 DGCDRO Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3Cl)C2)n1 ZINC001140926082 1092067882 /nfs/dbraw/zinc/06/78/82/1092067882.db2.gz YXEKAZIRNXCQQW-CYBMUJFWSA-N 1 0 320.824 3.087 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCCN(c3ncccc3C)CC2)c(O)c1 ZINC001140949564 1092074739 /nfs/dbraw/zinc/07/47/39/1092074739.db2.gz DWPFTBHHKSZEIC-UHFFFAOYSA-N 1 0 311.429 3.116 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c(O)c1 ZINC001140948463 1092075624 /nfs/dbraw/zinc/07/56/24/1092075624.db2.gz JBVHSXABGMMUTO-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO Cc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(O)c1 ZINC001140951107 1092078305 /nfs/dbraw/zinc/07/83/05/1092078305.db2.gz ZDCHZOUFTOXGBI-UYAOXDASSA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1ccc(C[N@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c(O)c1 ZINC001140954459 1092080280 /nfs/dbraw/zinc/08/02/80/1092080280.db2.gz SHEAWXKHRFXUAG-MRXNPFEDSA-N 1 0 324.424 3.047 20 10 DGCDRO CCc1noc([C@H]2CCC[N@H+](Cc3ccc(C)cc3O)C2)n1 ZINC001140957754 1092082029 /nfs/dbraw/zinc/08/20/29/1092082029.db2.gz MPEGXMSGFKESCS-AWEZNQCLSA-N 1 0 301.390 3.026 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(OC)c1 ZINC001141028397 1092111051 /nfs/dbraw/zinc/11/10/51/1092111051.db2.gz NAVUFPBPEQCHKK-HNNXBMFYSA-N 1 0 313.397 3.399 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCc3ccccc3CC2)c(OC)c1 ZINC001141028451 1092111572 /nfs/dbraw/zinc/11/15/72/1092111572.db2.gz PAFRDEOQICPPQM-UHFFFAOYSA-N 1 0 313.397 3.010 20 10 DGCDRO O=C1CCC[C@H]2C[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]12 ZINC001141079131 1092131148 /nfs/dbraw/zinc/13/11/48/1092131148.db2.gz UMACMGGXNQQFNI-RBUKOAKNSA-N 1 0 324.468 3.186 20 10 DGCDRO CN1CCOc2cc(C[NH+]3CCC(OC4CCC4)CC3)ccc21 ZINC001141140760 1092148016 /nfs/dbraw/zinc/14/80/16/1092148016.db2.gz PCVYGKDGZCDHLJ-UHFFFAOYSA-N 1 0 316.445 3.049 20 10 DGCDRO CN1CCOc2cc(C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC001141141269 1092148941 /nfs/dbraw/zinc/14/89/41/1092148941.db2.gz WJGDREUMOLHJEA-UHFFFAOYSA-N 1 0 314.351 3.290 20 10 DGCDRO COc1cccc2c1CN(Cc1ccc3c(c1)OCCN3C)C2 ZINC001141145330 1092150420 /nfs/dbraw/zinc/15/04/20/1092150420.db2.gz UGKCIBRYIRUYEP-UHFFFAOYSA-N 1 0 310.397 3.040 20 10 DGCDRO COc1ccc2c(c1)CN(Cc1ccc3c(c1)OCCN3C)C2 ZINC001141144055 1092150608 /nfs/dbraw/zinc/15/06/08/1092150608.db2.gz VAVHTMLKVIVQJM-UHFFFAOYSA-N 1 0 310.397 3.040 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc(O)ccc1O ZINC001141158972 1092155743 /nfs/dbraw/zinc/15/57/43/1092155743.db2.gz UFYCJXDUAAWYCW-UHFFFAOYSA-N 1 0 312.413 3.330 20 10 DGCDRO Oc1cc2c(cc1O)C[N@H+](CCc1c(F)cccc1F)CCC2 ZINC001208118626 1092202425 /nfs/dbraw/zinc/20/24/25/1092202425.db2.gz PGRBZOWNIYPKFU-UHFFFAOYSA-N 1 0 319.351 3.367 20 10 DGCDRO CS[C@@H](C)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001208144081 1092215950 /nfs/dbraw/zinc/21/59/50/1092215950.db2.gz VTEDLVROUJZPHQ-HNNXBMFYSA-N 1 0 308.491 3.097 20 10 DGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cccc(CO)c1 ZINC000121885427 1092235099 /nfs/dbraw/zinc/23/50/99/1092235099.db2.gz QZYTVKBWCQXYOC-GFCCVEGCSA-N 1 0 308.472 3.468 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001168826164 1092385018 /nfs/dbraw/zinc/38/50/18/1092385018.db2.gz XABWROMBTCSVEX-BFHYXJOUSA-N 1 0 320.433 3.441 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3nn(C)cc32)cc1 ZINC001142468738 1092485481 /nfs/dbraw/zinc/48/54/81/1092485481.db2.gz PDVOKGBMQGYVHE-UHFFFAOYSA-N 1 0 308.429 3.271 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC001142502320 1092489462 /nfs/dbraw/zinc/48/94/62/1092489462.db2.gz MZEJEJNWISLLLZ-UHFFFAOYSA-N 1 0 310.388 3.121 20 10 DGCDRO CC[C@H](CCC(=O)OC)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001208792692 1092510927 /nfs/dbraw/zinc/51/09/27/1092510927.db2.gz QDOFCZHRUMCHKB-OAHLLOKOSA-N 1 0 306.450 3.164 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CC(C)(C)C(=O)CC)CC2)cc1 ZINC001208921657 1092586422 /nfs/dbraw/zinc/58/64/22/1092586422.db2.gz HUYVUWMYIUSKNX-UHFFFAOYSA-N 1 0 318.461 3.213 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCN3CCCC[C@H]3C2)c1O ZINC001143110608 1092616147 /nfs/dbraw/zinc/61/61/47/1092616147.db2.gz LEXKFPQPCWNETC-INIZCTEOSA-N 1 0 302.462 3.360 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@@H]1C ZINC001143110942 1092616937 /nfs/dbraw/zinc/61/69/37/1092616937.db2.gz UAOGBJRDTBTLRS-UKRRQHHQSA-N 1 0 319.445 3.463 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143112144 1092617069 /nfs/dbraw/zinc/61/70/69/1092617069.db2.gz MRRNNONSBSQJQX-AWEZNQCLSA-N 1 0 305.418 3.217 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110828 1092617107 /nfs/dbraw/zinc/61/71/07/1092617107.db2.gz QKYFWQQRISGIFE-IBGZPJMESA-N 1 0 319.445 3.465 20 10 DGCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116407 1092617775 /nfs/dbraw/zinc/61/77/75/1092617775.db2.gz AGLMBHVASYWXPQ-MRXNPFEDSA-N 1 0 318.461 3.132 20 10 DGCDRO COc1cc(C)cc(OC)c1C[N@H+](C)Cc1ccccc1O ZINC001143144968 1092622140 /nfs/dbraw/zinc/62/21/40/1092622140.db2.gz REEPPUSIBZGENP-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO CN(CCC[N@@H+]1CCc2cccc(O)c2C1)C(=O)OC(C)(C)C ZINC001209140334 1092668903 /nfs/dbraw/zinc/66/89/03/1092668903.db2.gz RQMALMYVYBYTLQ-UHFFFAOYSA-N 1 0 320.433 3.007 20 10 DGCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cc2ccccc2cc1O ZINC001169448114 1092686958 /nfs/dbraw/zinc/68/69/58/1092686958.db2.gz HWYVDAVEEDEOKV-CQSZACIVSA-N 1 0 314.429 3.282 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001209377964 1092747210 /nfs/dbraw/zinc/74/72/10/1092747210.db2.gz IPTSKQMQWAGRMQ-BJWYYQGGSA-N 1 0 318.461 3.021 20 10 DGCDRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000180385511 1093850579 /nfs/dbraw/zinc/85/05/79/1093850579.db2.gz SYNXWNXCDUQJKB-UHFFFAOYSA-N 1 0 303.377 3.304 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccc(F)cc2F)c(O)c1OC ZINC001120025788 1094352016 /nfs/dbraw/zinc/35/20/16/1094352016.db2.gz QNUSNBVSCJEBOJ-UHFFFAOYSA-N 1 0 323.339 3.020 20 10 DGCDRO O=C1C=CC=CC1=NNc1ccccc1O[C@H]1C[NH2+]C[C@@H]1F ZINC001218018649 1094563134 /nfs/dbraw/zinc/56/31/34/1094563134.db2.gz BWZGASRMNAGQGU-XXEVFBAYSA-N 1 0 301.321 3.496 20 10 DGCDRO O=C1C=CC(=NNc2ccccc2)C(O[C@@H]2C[NH2+]CCOC2)=C1 ZINC001218041146 1094573896 /nfs/dbraw/zinc/57/38/96/1094573896.db2.gz CVEYPVSNRHPEPD-FZFLATATSA-N 1 0 313.357 3.175 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)c(O)c1 ZINC001170903253 1094900376 /nfs/dbraw/zinc/90/03/76/1094900376.db2.gz VOTZRFGMMHUMGK-CYBMUJFWSA-N 1 0 303.789 3.398 20 10 DGCDRO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)c1ccc(C2CC2)cc1 ZINC001219119862 1094942889 /nfs/dbraw/zinc/94/28/89/1094942889.db2.gz LYHQZQGOYKCYIF-UHFFFAOYSA-N 1 0 321.424 3.226 20 10 DGCDRO CCc1ccc(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)c(O)c1 ZINC001276804905 1094975241 /nfs/dbraw/zinc/97/52/41/1094975241.db2.gz NPCSLIBDWOGMNT-UHFFFAOYSA-N 1 0 314.473 3.405 20 10 DGCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2ccc(N)cc2)C1 ZINC001337837600 1095112692 /nfs/dbraw/zinc/11/26/92/1095112692.db2.gz CWAAGJTYOMEPFN-FQEVSTJZSA-N 1 0 309.457 3.018 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC(C1CC1)C1CC1 ZINC000316222916 1095164461 /nfs/dbraw/zinc/16/44/61/1095164461.db2.gz RSKQHGVOANABNM-UHFFFAOYSA-N 1 0 300.446 3.049 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC([C@H]3CCCCO3)CC2)c1O ZINC001338168682 1095209213 /nfs/dbraw/zinc/20/92/13/1095209213.db2.gz XKUVHHIUROLMKT-QGZVFWFLSA-N 1 0 319.445 3.490 20 10 DGCDRO [NH3+]CCCCNC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001221346557 1095247916 /nfs/dbraw/zinc/24/79/16/1095247916.db2.gz MGBYUHCKNJNVKK-QZQOTICOSA-N 1 0 312.373 3.276 20 10 DGCDRO Cc1cc(CN2CC[C@]23CCC[NH2+]C3)c(C)n1-c1ccccc1 ZINC001222192661 1095484536 /nfs/dbraw/zinc/48/45/36/1095484536.db2.gz YHDDFIRHONFFJH-FQEVSTJZSA-N 1 0 309.457 3.422 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)CC1CC1 ZINC001116441636 1095552437 /nfs/dbraw/zinc/55/24/37/1095552437.db2.gz LCLXSTDLJJFTQU-UHFFFAOYSA-N 1 0 319.468 3.198 20 10 DGCDRO CC(C)(C)c1ccc(CN2CCC[C@@]3(CCC[NH2+]3)C2)c(O)c1 ZINC001222354819 1095569550 /nfs/dbraw/zinc/56/95/50/1095569550.db2.gz NWQITNUCCAJOHT-IBGZPJMESA-N 1 0 302.462 3.408 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c(O)c1C ZINC001339285725 1095572832 /nfs/dbraw/zinc/57/28/32/1095572832.db2.gz BQMWJTCVDODKMX-NVXWUHKLSA-N 1 0 321.461 3.085 20 10 DGCDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116505367 1095581396 /nfs/dbraw/zinc/58/13/96/1095581396.db2.gz GNUPDUBIMDRAQQ-UHFFFAOYSA-N 1 0 304.434 3.108 20 10 DGCDRO Cc1cc(CN2CCC[C@@]3(CCCC[NH2+]3)C2)ccc1N(C)C ZINC001222390185 1095587337 /nfs/dbraw/zinc/58/73/37/1095587337.db2.gz MLKMWYMTLLGINL-IBGZPJMESA-N 1 0 301.478 3.169 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@@]3(CCCC[NH2+]3)C2)cc1Cl ZINC001222396592 1095592937 /nfs/dbraw/zinc/59/29/37/1095592937.db2.gz UCGRGGKECSOQRW-KRWDZBQOSA-N 1 0 308.853 3.462 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222436779 1095614378 /nfs/dbraw/zinc/61/43/78/1095614378.db2.gz ZZQKFXXLXWDDTJ-HNNXBMFYSA-N 1 0 314.351 3.129 20 10 DGCDRO Cc1cc(CN2CC[C@]3(CCC[NH2+]3)C2)c(C)n1-c1ccccc1 ZINC001222471331 1095630586 /nfs/dbraw/zinc/63/05/86/1095630586.db2.gz OHZHVCBMNFJPGZ-HXUWFJFHSA-N 1 0 309.457 3.422 20 10 DGCDRO Oc1cc(O)c(C[NH+]2CCC(c3cccs3)CC2)c(O)c1 ZINC001144509080 1095698341 /nfs/dbraw/zinc/69/83/41/1095698341.db2.gz KJLLVHRRCFULIZ-UHFFFAOYSA-N 1 0 305.399 3.245 20 10 DGCDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1c(O)ccc(F)c1Cl)C2 ZINC001276837292 1095751110 /nfs/dbraw/zinc/75/11/10/1095751110.db2.gz IIKNUKOBYPTPFZ-MRXNPFEDSA-N 1 0 312.816 3.102 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c(C)n1-c1ccccc1 ZINC001137854002 1095768191 /nfs/dbraw/zinc/76/81/91/1095768191.db2.gz DSOFYMUBCMQTDZ-MOPGFXCFSA-N 1 0 316.420 3.389 20 10 DGCDRO Cc1cc(C[N@H+]2CCC3(CN(C)C3)C2)c(C)n1-c1ccccc1 ZINC001137859142 1095769837 /nfs/dbraw/zinc/76/98/37/1095769837.db2.gz KPWZMJBCGMBZQR-UHFFFAOYSA-N 1 0 309.457 3.232 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC3(C2)OCCO3)c(C)n1-c1ccccc1 ZINC001137858088 1095770189 /nfs/dbraw/zinc/77/01/89/1095770189.db2.gz WJXDUWOIJRJLDF-UHFFFAOYSA-N 1 0 312.413 3.043 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001117592651 1095785953 /nfs/dbraw/zinc/78/59/53/1095785953.db2.gz VQOLWEOGBPBNIQ-UHFFFAOYSA-N 1 0 324.424 3.363 20 10 DGCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCCC2)cc1 ZINC001117630219 1095786916 /nfs/dbraw/zinc/78/69/16/1095786916.db2.gz PNDDIFRFKILZNM-XLIONFOSSA-N 1 0 313.489 3.345 20 10 DGCDRO COc1ccc(N2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(OC)c1 ZINC001276995048 1096280275 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C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001173220352 1097371066 /nfs/dbraw/zinc/37/10/66/1097371066.db2.gz YTTJHMOSLANUNU-CQSZACIVSA-N 1 0 313.401 3.382 20 10 DGCDRO CCOC(=O)[C@H]1CC12CCC([N@H+](C)Cc1ccccc1O)CC2 ZINC001173617989 1097483527 /nfs/dbraw/zinc/48/35/27/1097483527.db2.gz CTALTYMWGKQRAM-KOHRHEQBSA-N 1 0 317.429 3.336 20 10 DGCDRO CCOC(=O)C[C@H]1CC[C@H]([N@H+](CC)Cc2ccccc2O)C1 ZINC001173658900 1097484380 /nfs/dbraw/zinc/48/43/80/1097484380.db2.gz SFXSOFWUWBDRQN-HOCLYGCPSA-N 1 0 305.418 3.336 20 10 DGCDRO COC(=O)c1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC001173712695 1097500156 /nfs/dbraw/zinc/50/01/56/1097500156.db2.gz TUNCBKKXAOWRAI-ZIAGYGMSSA-N 1 0 313.397 3.461 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3ccc(F)cc3F)CC2)c1O ZINC001231593232 1097786999 /nfs/dbraw/zinc/78/69/99/1097786999.db2.gz ROPYVZUPZMVYDP-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(C)c1O)C2 ZINC001231592570 1097787630 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CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)C[C@H]1C ZINC001231848359 1097863642 /nfs/dbraw/zinc/86/36/42/1097863642.db2.gz GVWYVVFINMHXSR-CVEARBPZSA-N 1 0 319.445 3.420 20 10 DGCDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231848666 1097863792 /nfs/dbraw/zinc/86/37/92/1097863792.db2.gz JGMVXERVCZNUQN-UHFFFAOYSA-N 1 0 318.461 3.230 20 10 DGCDRO CN1CC[N@H+](Cc2ccc3ccccc3c2O)Cc2cccnc21 ZINC001231880351 1097877310 /nfs/dbraw/zinc/87/73/10/1097877310.db2.gz MJYIPSCPNAHRKC-UHFFFAOYSA-N 1 0 319.408 3.392 20 10 DGCDRO O=c1[nH]ccc2c1CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001231881725 1097877683 /nfs/dbraw/zinc/87/76/83/1097877683.db2.gz BGLURHGDECFAPX-UHFFFAOYSA-N 1 0 306.365 3.204 20 10 DGCDRO F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198697 1097964065 /nfs/dbraw/zinc/96/40/65/1097964065.db2.gz DVWIXXDEMZCBDB-OFQRWUPVSA-N 1 0 324.827 3.109 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)cc1Cl ZINC001232266173 1097987038 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CN(C)c1ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c(O)c1 ZINC001232835337 1098148317 /nfs/dbraw/zinc/14/83/17/1098148317.db2.gz AUULCDFHIKCUNC-UHFFFAOYSA-N 1 0 310.388 3.470 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)c(O)c1 ZINC001232839379 1098149361 /nfs/dbraw/zinc/14/93/61/1098149361.db2.gz IGOJEJHTWZYICQ-CQSZACIVSA-N 1 0 303.431 3.252 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c(O)c1 ZINC001232840650 1098150445 /nfs/dbraw/zinc/15/04/45/1098150445.db2.gz FJGSXFRHMLKFKN-UHFFFAOYSA-N 1 0 318.461 3.382 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC001232840006 1098150670 /nfs/dbraw/zinc/15/06/70/1098150670.db2.gz ZUDKYEIYEKACBK-SFHVURJKSA-N 1 0 312.413 3.112 20 10 DGCDRO CC(C)C[N@H+](C)Cc1ccc(I)cc1O ZINC001232973860 1098190692 /nfs/dbraw/zinc/19/06/92/1098190692.db2.gz CEXTXGMGBZIMHK-UHFFFAOYSA-N 1 0 319.186 3.085 20 10 DGCDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cc(O)c(O)c(O)c1 ZINC001233011499 1098202435 /nfs/dbraw/zinc/20/24/35/1098202435.db2.gz BCHMQVRSLAXOAS-UHFFFAOYSA-N 1 0 307.777 3.131 20 10 DGCDRO COCOc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001233282957 1098274699 /nfs/dbraw/zinc/27/46/99/1098274699.db2.gz LQKAQYUJLXINMH-UHFFFAOYSA-N 1 0 314.429 3.367 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284085 1098275344 /nfs/dbraw/zinc/27/53/44/1098275344.db2.gz HTCUOCURXGMLSC-CYBMUJFWSA-N 1 0 305.418 3.075 20 10 DGCDRO CC[N@H+](CCn1ccnc1)Cc1cc(C(C)(C)C)ccc1O ZINC001233286820 1098276446 /nfs/dbraw/zinc/27/64/46/1098276446.db2.gz JUQKBXDXZBOXQI-UHFFFAOYSA-N 1 0 301.434 3.408 20 10 DGCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286270 1098276871 /nfs/dbraw/zinc/27/68/71/1098276871.db2.gz MRFLYHDDPFYAMZ-UKRRQHHQSA-N 1 0 319.445 3.321 20 10 DGCDRO CCC[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CCOCC1 ZINC001233290527 1098277234 /nfs/dbraw/zinc/27/72/34/1098277234.db2.gz HYLCPLBJHAPRKE-UHFFFAOYSA-N 1 0 313.825 3.445 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCc3cccc(O)c3C2)c1O ZINC001233290762 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DGCDRO C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@H]1F ZINC001233726847 1098416824 /nfs/dbraw/zinc/41/68/24/1098416824.db2.gz ISLUGILAXXXKCO-MWLCHTKSSA-N 1 0 307.287 3.471 20 10 DGCDRO CC[N@H+](Cc1cccc(OC(F)(F)F)c1O)C1CCOCC1 ZINC001233754944 1098423153 /nfs/dbraw/zinc/42/31/53/1098423153.db2.gz OQIOQOZWZWIKMS-UHFFFAOYSA-N 1 0 319.323 3.292 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@@]23CCOC3)cccc1OC(F)(F)F ZINC001233768177 1098427117 /nfs/dbraw/zinc/42/71/17/1098427117.db2.gz LNVCXFDPWVWVDI-AWEZNQCLSA-N 1 0 317.307 3.046 20 10 DGCDRO CC(C)[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233768729 1098427558 /nfs/dbraw/zinc/42/75/58/1098427558.db2.gz XUWWNIVHLFYPSZ-CYBMUJFWSA-N 1 0 319.323 3.148 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)[C@@H](C)C1 ZINC001233776170 1098429112 /nfs/dbraw/zinc/42/91/12/1098429112.db2.gz MCGAKZNYWLHKQB-JQWIXIFHSA-N 1 0 319.323 3.290 20 10 DGCDRO CCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001177127988 1098474984 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Oc1cc(Cl)c(F)cc1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235174222 1098855217 /nfs/dbraw/zinc/85/52/17/1098855217.db2.gz GMAYZABGSMDWBD-MRXNPFEDSA-N 1 0 312.816 3.293 20 10 DGCDRO COc1cc(Cl)cc(CN2CCCC[C@@]23CCC[NH2+]C3)c1O ZINC001235177514 1098858146 /nfs/dbraw/zinc/85/81/46/1098858146.db2.gz KOAVMIQIAFGKBI-KRWDZBQOSA-N 1 0 324.852 3.162 20 10 DGCDRO Cc1cc(CN2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)ccc1N(C)C ZINC001235221344 1098892078 /nfs/dbraw/zinc/89/20/78/1098892078.db2.gz OJILRHUICZQCOI-VQTJNVASSA-N 1 0 321.468 3.132 20 10 DGCDRO [O-]c1cc(F)c(F)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235228275 1098901185 /nfs/dbraw/zinc/90/11/85/1098901185.db2.gz LGHOFMGLHBSNJW-INIZCTEOSA-N 1 0 310.388 3.025 20 10 DGCDRO CN(C)c1ccc(/C=C\CNCC[N@@H+]2CCCC2(C)C)cc1 ZINC001178933778 1098966440 /nfs/dbraw/zinc/96/64/40/1098966440.db2.gz FEOMUGARPPKSIP-ALCCZGGFSA-N 1 0 301.478 3.230 20 10 DGCDRO CCCCN(CCCC)c1ccc(CN2CC[C@H]([NH3+])C2)c(O)c1 ZINC001235361419 1098979262 /nfs/dbraw/zinc/97/92/62/1098979262.db2.gz 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1099173567 /nfs/dbraw/zinc/17/35/67/1099173567.db2.gz FZHOIBIPYUZKNA-GOSISDBHSA-N 1 0 314.404 3.382 20 10 DGCDRO CC[NH+](CC)CC[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001179829183 1099224563 /nfs/dbraw/zinc/22/45/63/1099224563.db2.gz AFUQKHSMZVRSNT-CYBMUJFWSA-N 1 0 313.436 3.241 20 10 DGCDRO CN(C)c1ccc(CN2CC3(C2)CCCC[NH2+]3)c2ccccc21 ZINC001235923588 1099259677 /nfs/dbraw/zinc/25/96/77/1099259677.db2.gz KNJYENWMYUKVBX-UHFFFAOYSA-N 1 0 309.457 3.234 20 10 DGCDRO CCCCN(CCCC)c1ccc(CN(C)C2C[NH2+]C2)c(O)c1 ZINC001235923971 1099259967 /nfs/dbraw/zinc/25/99/67/1099259967.db2.gz KWPXQWIICDQZJO-UHFFFAOYSA-N 1 0 319.493 3.202 20 10 DGCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985524 1099310631 /nfs/dbraw/zinc/31/06/31/1099310631.db2.gz CTICOXQLMXHYDZ-APWZRJJASA-N 1 0 312.388 3.121 20 10 DGCDRO CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c2ccccc21 ZINC001236059541 1099359360 /nfs/dbraw/zinc/35/93/60/1099359360.db2.gz JJPZBAVEBFQWHC-RDJZCZTQSA-N 1 0 309.457 3.090 20 10 DGCDRO CCOC(=O)CC[N@@H+](Cc1ccc(Cl)cc1O)CC1CC1 ZINC001180257203 1099360563 /nfs/dbraw/zinc/36/05/63/1099360563.db2.gz AODCLDJPGBVQAT-UHFFFAOYSA-N 1 0 311.809 3.211 20 10 DGCDRO Cc1cc(F)cc(CN2CC[NH2+]C[C@@H]2c2cccs2)c1O ZINC001236115630 1099403395 /nfs/dbraw/zinc/40/33/95/1099403395.db2.gz GKLOXSRLOMCYNN-CQSZACIVSA-N 1 0 306.406 3.048 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236115676 1099403417 /nfs/dbraw/zinc/40/34/17/1099403417.db2.gz GDFGHEBIBVBNMX-ZDUSSCGKSA-N 1 0 308.834 3.254 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2ccc(F)cc2)cc1 ZINC001236127884 1099415542 /nfs/dbraw/zinc/41/55/42/1099415542.db2.gz IAEJFVYLFLKLJR-LJQANCHMSA-N 1 0 313.420 3.038 20 10 DGCDRO Cc1cc(C)c(CN2CC[NH2+]C[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001236128290 1099415726 /nfs/dbraw/zinc/41/57/26/1099415726.db2.gz IBBADMLAPSOEHX-GOSISDBHSA-N 1 0 314.404 3.295 20 10 DGCDRO CCCC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2O)CC[NH2+]1 ZINC001236140359 1099426789 /nfs/dbraw/zinc/42/67/89/1099426789.db2.gz 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COc1cc(O)c(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c(Cl)c1 ZINC001236797457 1099790489 /nfs/dbraw/zinc/79/04/89/1099790489.db2.gz FLKUQYMSNIORAU-INIZCTEOSA-N 1 0 313.825 3.037 20 10 DGCDRO C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236797256 1099791264 /nfs/dbraw/zinc/79/12/64/1099791264.db2.gz WXMDFIGYDZOHKX-NSHDSACASA-N 1 0 303.233 3.225 20 10 DGCDRO C[NH+](C)C[C@@H]1CCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236795535 1099791347 /nfs/dbraw/zinc/79/13/47/1099791347.db2.gz FYXWDPSEOKWOBV-NSHDSACASA-N 1 0 303.233 3.225 20 10 DGCDRO C[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])CC1CC[NH+](C)CC1 ZINC001236797239 1099792129 /nfs/dbraw/zinc/79/21/29/1099792129.db2.gz WCJDTXWSLXJSPG-UHFFFAOYSA-N 1 0 317.260 3.473 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(OC(C)C)CC2)c(Cl)c1 ZINC001236799764 1099794060 /nfs/dbraw/zinc/79/40/60/1099794060.db2.gz QGJNIFKCSDYUIU-UHFFFAOYSA-N 1 0 313.825 3.444 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001236809259 1099799184 /nfs/dbraw/zinc/79/91/84/1099799184.db2.gz VAFZHIYWQAPLBH-CQSZACIVSA-N 1 0 321.314 3.433 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c(O)c1 ZINC001236818553 1099807125 /nfs/dbraw/zinc/80/71/25/1099807125.db2.gz NXXNJHZWTQBBPU-GOEBONIOSA-N 1 0 303.402 3.043 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC3(CCC(=O)CC3)CC2)c(O)c1 ZINC001236822068 1099808590 /nfs/dbraw/zinc/80/85/90/1099808590.db2.gz XQHZRPSQJXOQAB-UHFFFAOYSA-N 1 0 317.429 3.435 20 10 DGCDRO C[C@H]([NH3+])CN(C)Cc1c(O)ccc2cc(Br)ccc21 ZINC001236903446 1099864466 /nfs/dbraw/zinc/86/44/66/1099864466.db2.gz CRNLCHANQNTZCQ-JTQLQIEISA-N 1 0 323.234 3.087 20 10 DGCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC2(CC2)C1 ZINC001236920977 1099879198 /nfs/dbraw/zinc/87/91/98/1099879198.db2.gz BFOVVNOJDFZBCT-UHFFFAOYSA-N 1 0 306.837 3.163 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1Cl)CC1CCC1 ZINC001236927553 1099880294 /nfs/dbraw/zinc/88/02/94/1099880294.db2.gz QGTCXZWVEDRILS-UHFFFAOYSA-N 1 0 308.853 3.409 20 10 DGCDRO FC1CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236929149 1099880625 /nfs/dbraw/zinc/88/06/25/1099880625.db2.gz OZYBHCJZTPSRQJ-UHFFFAOYSA-N 1 0 312.816 3.111 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001236980543 1099900603 /nfs/dbraw/zinc/90/06/03/1099900603.db2.gz IKXWXEIKKLPTFM-AWEZNQCLSA-N 1 0 316.367 3.026 20 10 DGCDRO Cc1cc(O)c(CN2Cc3ccccc3C[C@H]2C[NH3+])cc1Cl ZINC001237028720 1099933975 /nfs/dbraw/zinc/93/39/75/1099933975.db2.gz RPIPYVNWUSVAGD-INIZCTEOSA-N 1 0 316.832 3.240 20 10 DGCDRO CCOc1ccc(CN2CCC([NH+](CC)CC)CC2)c(O)c1 ZINC001237041112 1099938238 /nfs/dbraw/zinc/93/82/38/1099938238.db2.gz FCLPAXONYDJMRW-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c(O)c1 ZINC001237040190 1099938606 /nfs/dbraw/zinc/93/86/06/1099938606.db2.gz AWNCFSWESGDFEI-AWEZNQCLSA-N 1 0 303.324 3.360 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1C2CCC1CC2 ZINC001237058228 1099949346 /nfs/dbraw/zinc/94/93/46/1099949346.db2.gz XDIFOURUZUTRKX-UHFFFAOYSA-N 1 0 301.308 3.460 20 10 DGCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237084596 1099961321 /nfs/dbraw/zinc/96/13/21/1099961321.db2.gz LRGOQSCLBAEGEY-LLVKDONJSA-N 1 0 315.244 3.368 20 10 DGCDRO C[NH+]1CCC2(C[NH+](Cc3c([O-])ccc(Cl)c3Cl)C2)CC1 ZINC001237085341 1099963281 /nfs/dbraw/zinc/96/32/81/1099963281.db2.gz YEMPXCGHVLHZJM-UHFFFAOYSA-N 1 0 315.244 3.227 20 10 DGCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127866 1099984104 /nfs/dbraw/zinc/98/41/04/1099984104.db2.gz HAROTODACCDXCC-LLVKDONJSA-N 1 0 300.805 3.099 20 10 DGCDRO CCCO[C@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237110782 1099975304 /nfs/dbraw/zinc/97/53/04/1099975304.db2.gz KUPIYBQSRMJBQZ-NSHDSACASA-N 1 0 319.323 3.292 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@]12CCOC2 ZINC001237114473 1099977800 /nfs/dbraw/zinc/97/78/00/1099977800.db2.gz LWGKQZSCECTXQA-CQSZACIVSA-N 1 0 317.307 3.046 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237116116 1099980170 /nfs/dbraw/zinc/98/01/70/1099980170.db2.gz XILYCPKODPDSDO-QXEWZRGKSA-N 1 0 305.271 3.223 20 10 DGCDRO CCO[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138777 1099988204 /nfs/dbraw/zinc/98/82/04/1099988204.db2.gz GNKVWDKOTGEVPA-CYBMUJFWSA-N 1 0 303.324 3.412 20 10 DGCDRO Cc1cc(CN(C)Cc2cc(C(F)(F)F)ccc2O)n(C)n1 ZINC001237140109 1099988969 /nfs/dbraw/zinc/98/89/69/1099988969.db2.gz VAOJOOGDRXQUGI-UHFFFAOYSA-N 1 0 313.323 3.085 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001237139829 1099989443 /nfs/dbraw/zinc/98/94/43/1099989443.db2.gz PSZHFDLWBCPXHE-AWEZNQCLSA-N 1 0 314.351 3.081 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001237138369 1099990296 /nfs/dbraw/zinc/99/02/96/1099990296.db2.gz AXKSOKOSGYPEAE-UHFFFAOYSA-N 1 0 315.335 3.414 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237142284 1099993118 /nfs/dbraw/zinc/99/31/18/1099993118.db2.gz GJWOWIBYKRUFNT-IINYFYTJSA-N 1 0 301.308 3.022 20 10 DGCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237146245 1099996106 /nfs/dbraw/zinc/99/61/06/1099996106.db2.gz RXDCVUKYIMWTDF-AWEZNQCLSA-N 1 0 314.351 3.080 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)NCc2ccccc23)cc1 ZINC001237359934 1100095085 /nfs/dbraw/zinc/09/50/85/1100095085.db2.gz SDZGAVCIOKNZFE-UHFFFAOYSA-N 1 0 321.468 3.347 20 10 DGCDRO Nc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cc1 ZINC001237412695 1100118216 /nfs/dbraw/zinc/11/82/16/1100118216.db2.gz TYOPXTNMVBGUMW-HOTGVXAUSA-N 1 0 313.832 3.385 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1c(Cl)[nH]c3cnccc31)CC2 ZINC001237457985 1100129053 /nfs/dbraw/zinc/12/90/53/1100129053.db2.gz HPISWWAZTPTDFL-UHFFFAOYSA-N 1 0 313.788 3.480 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ccc(F)c(F)c2)CC1 ZINC001237484010 1100139000 /nfs/dbraw/zinc/13/90/00/1100139000.db2.gz YJZCQPDKVQXPEV-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001237485595 1100139392 /nfs/dbraw/zinc/13/93/92/1100139392.db2.gz QLGFFZCSOMGHFZ-CQSZACIVSA-N 1 0 320.433 3.142 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC001237483705 1100139640 /nfs/dbraw/zinc/13/96/40/1100139640.db2.gz RDPQBGGETRAHMR-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001237494735 1100145888 /nfs/dbraw/zinc/14/58/88/1100145888.db2.gz LDEDJFUIQYIQMX-MRXNPFEDSA-N 1 0 301.361 3.493 20 10 DGCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237622857 1100191948 /nfs/dbraw/zinc/19/19/48/1100191948.db2.gz DMTMXUPKVOTPTC-CYBMUJFWSA-N 1 0 300.805 3.099 20 10 DGCDRO C[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)CC1COC1 ZINC001237646401 1100201843 /nfs/dbraw/zinc/20/18/43/1100201843.db2.gz OJSUDQIZVQSEFN-UHFFFAOYSA-N 1 0 301.361 3.277 20 10 DGCDRO COC[C@H]1CCC[N@@H+]1Cc1cc(Br)c(C)cc1O ZINC001237675887 1100210675 /nfs/dbraw/zinc/21/06/75/1100210675.db2.gz CYGUUYXLCYQSCR-GFCCVEGCSA-N 1 0 314.223 3.074 20 10 DGCDRO CCOCC[NH+](CCOCC)Cc1cc(Cl)cc(C)c1O ZINC001237686820 1100214047 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COc1cccc2c1CC[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238069255 1100350564 /nfs/dbraw/zinc/35/05/64/1100350564.db2.gz XTKNSRPTAGYOSA-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1cccc(-c3cc[nH]n3)c1)CC2 ZINC001238203032 1100389734 /nfs/dbraw/zinc/38/97/34/1100389734.db2.gz LPTKXVNFIMTJON-UHFFFAOYSA-N 1 0 305.381 3.341 20 10 DGCDRO CC1(C)CO[C@@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC001192012752 1100561173 /nfs/dbraw/zinc/56/11/73/1100561173.db2.gz JXWSEVNAYDYOAR-IAGOWNOFSA-N 1 0 319.445 3.188 20 10 DGCDRO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(C)c1O ZINC001273770537 1101955766 /nfs/dbraw/zinc/95/57/66/1101955766.db2.gz SXNLEPGKMPQBHT-IAGOWNOFSA-N 1 0 316.445 3.066 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC001199365409 1102122561 /nfs/dbraw/zinc/12/25/61/1102122561.db2.gz IMRPGZJNCHYPEO-UHFFFAOYSA-N 1 0 312.413 3.485 20 10 DGCDRO Cc1ccsc1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001201684275 1102703825 /nfs/dbraw/zinc/70/38/25/1102703825.db2.gz GVCWQRIKUQKTFM-UHFFFAOYSA-N 1 0 316.470 3.225 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](CC)[C@@H]2CCCO2)ccc1OC ZINC001201832944 1102741405 /nfs/dbraw/zinc/74/14/05/1102741405.db2.gz INTCWGPNOSTYDR-AEFFLSMTSA-N 1 0 307.434 3.279 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000686281609 1103041528 /nfs/dbraw/zinc/04/15/28/1103041528.db2.gz VYSFQCFYPWEOKN-CHWSQXEVSA-N 1 0 320.433 3.298 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000686281612 1103041907 /nfs/dbraw/zinc/04/19/07/1103041907.db2.gz VYSFQCFYPWEOKN-STQMWFEESA-N 1 0 320.433 3.298 20 10 DGCDRO CCCN1C[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1=O ZINC001325489290 1103051068 /nfs/dbraw/zinc/05/10/68/1103051068.db2.gz KBCQTKRJTXRLIC-QLFBSQMISA-N 1 0 316.445 3.097 20 10 DGCDRO CC1(C)CCCN(CC[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001326561523 1103367449 /nfs/dbraw/zinc/36/74/49/1103367449.db2.gz NMHJCKQVELAFQU-UHFFFAOYSA-N 1 0 315.505 3.498 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cc(OCC(F)F)ccn1)CC2 ZINC001326623728 1103388433 /nfs/dbraw/zinc/38/84/33/1103388433.db2.gz TYHOTPRIYVKXCY-CQSZACIVSA-N 1 0 320.339 3.208 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1O ZINC001327704491 1103710751 /nfs/dbraw/zinc/71/07/51/1103710751.db2.gz ZZILYNYAMVNRFZ-DOTOQJQBSA-N 1 0 319.445 3.490 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC001327882525 1103754095 /nfs/dbraw/zinc/75/40/95/1103754095.db2.gz ZDBCVTHWSVGHJL-VVWQDTPRSA-N 1 0 300.446 3.300 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)[C@@H]1SC ZINC001327892736 1103756947 /nfs/dbraw/zinc/75/69/47/1103756947.db2.gz RHDHROTVYVCSPD-YUELXQCFSA-N 1 0 315.866 3.353 20 10 DGCDRO CC/C=C(/C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001328312225 1103910280 /nfs/dbraw/zinc/91/02/80/1103910280.db2.gz BLINVRNJWDAAIJ-VFXTVZEFSA-N 1 0 318.461 3.344 20 10 DGCDRO CC(C)C(C)(C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328656519 1104012735 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Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3C)n2)cc1 ZINC001247807341 1104990083 /nfs/dbraw/zinc/99/00/83/1104990083.db2.gz FZGOXPKQOOSPAW-SJCJKPOMSA-N 1 0 322.412 3.467 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CC34C[NH2+]C4)n2)cc1 ZINC001247870459 1105003849 /nfs/dbraw/zinc/00/38/49/1105003849.db2.gz GVDXFHRVMMGFIQ-MRXNPFEDSA-N 1 0 320.396 3.221 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)cc1 ZINC001248316205 1105095306 /nfs/dbraw/zinc/09/53/06/1105095306.db2.gz FWRUGIFOGZOIIV-HNNXBMFYSA-N 1 0 322.412 3.296 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@H]3CC[NH2+]C3)n2)cc1 ZINC001248316207 1105095893 /nfs/dbraw/zinc/09/58/93/1105095893.db2.gz FWRUGIFOGZOIIV-OAHLLOKOSA-N 1 0 322.412 3.296 20 10 DGCDRO C[NH+]1CC2(CN(Cc3cc(Cl)c(C(C)(C)C)cc3O)C2)C1 ZINC001248885148 1105186644 /nfs/dbraw/zinc/18/66/44/1105186644.db2.gz LIDDAFPJMZNXMI-UHFFFAOYSA-N 1 0 308.853 3.091 20 10 DGCDRO CC[N@H+](Cc1cccs1)Cc1ccc(CC(=O)OC)cc1O ZINC001249213865 1105247862 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DGCDRO C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC001276379920 1105535597 /nfs/dbraw/zinc/53/55/97/1105535597.db2.gz BMGIJPROFGINNH-KRWDZBQOSA-N 1 0 308.853 3.353 20 10 DGCDRO Cc1c2nc(-c3ccc(N4CC[NH+](C)CC4)cc3)[nH]c2ccc1F ZINC001250773854 1105580590 /nfs/dbraw/zinc/58/05/90/1105580590.db2.gz YZOKIJMVXNSICV-UHFFFAOYSA-N 1 0 324.403 3.429 20 10 DGCDRO Cc1ccc2[nH]c(-c3ccc(N4CC[NH+](C)CC4)cc3)nc2c1 ZINC001250773277 1105580679 /nfs/dbraw/zinc/58/06/79/1105580679.db2.gz LKEWHEPSODKKRV-UHFFFAOYSA-N 1 0 306.413 3.290 20 10 DGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)c1ccc(F)cc1 ZINC001252848329 1105842054 /nfs/dbraw/zinc/84/20/54/1105842054.db2.gz NNVHSUOLKXRBAH-IBGZPJMESA-N 1 0 316.420 3.447 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)o1 ZINC001254721238 1106135846 /nfs/dbraw/zinc/13/58/46/1106135846.db2.gz NSSATHVQQVKPNZ-NJZAAPMLSA-N 1 0 301.386 3.474 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C2CCSCC2)C1 ZINC001255093481 1106176681 /nfs/dbraw/zinc/17/66/81/1106176681.db2.gz YQTUFRVIUREMEF-UHFFFAOYSA-N 1 0 316.470 3.441 20 10 DGCDRO Cc1cc(C)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC001255105610 1106181037 /nfs/dbraw/zinc/18/10/37/1106181037.db2.gz ZKDVGZYRCITPKJ-GOSISDBHSA-N 1 0 310.441 3.373 20 10 DGCDRO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001255353880 1106231114 /nfs/dbraw/zinc/23/11/14/1106231114.db2.gz QADGLMYITJHCSI-LSDHHAIUSA-N 1 0 305.418 3.221 20 10 DGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCCN(C)C1 ZINC001255479492 1106257361 /nfs/dbraw/zinc/25/73/61/1106257361.db2.gz IZPYTEHTBCINJC-KDOFPFPSSA-N 1 0 302.462 3.316 20 10 DGCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001257042370 1106528444 /nfs/dbraw/zinc/52/84/44/1106528444.db2.gz NYZYNPAUKCJUKA-RDJZCZTQSA-N 1 0 313.397 3.367 20 10 DGCDRO COCCOc1ccc(N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001257461692 1106593996 /nfs/dbraw/zinc/59/39/96/1106593996.db2.gz XWEMIPJHNRAWJP-UHFFFAOYSA-N 1 0 318.461 3.167 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC001257955242 1106650423 /nfs/dbraw/zinc/65/04/23/1106650423.db2.gz XFBMBKARFBVEMP-INIZCTEOSA-N 1 0 316.832 3.499 20 10 DGCDRO CCOC(=O)CCC[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001258103752 1106673139 /nfs/dbraw/zinc/67/31/39/1106673139.db2.gz NPNGTKSIQXZMTL-MRXNPFEDSA-N 1 0 318.461 3.498 20 10 DGCDRO CCOC(=O)CCC[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001258103751 1106673183 /nfs/dbraw/zinc/67/31/83/1106673183.db2.gz NPNGTKSIQXZMTL-INIZCTEOSA-N 1 0 318.461 3.498 20 10 DGCDRO Cc1n[nH]c(=O)c(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1C ZINC001320132395 1106890280 /nfs/dbraw/zinc/89/02/80/1106890280.db2.gz WYDQMNJSGFWYQZ-JTQLQIEISA-N 1 0 307.781 3.009 20 10 DGCDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)n1 ZINC001320161983 1106909206 /nfs/dbraw/zinc/90/92/06/1106909206.db2.gz UVJUBZZVALQOAB-MRXNPFEDSA-N 1 0 315.392 3.311 20 10 DGCDRO CC(C)c1noc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC001320253437 1106938724 /nfs/dbraw/zinc/93/87/24/1106938724.db2.gz WAJYLXOYYAKOMV-ZYHUDNBSSA-N 1 0 319.380 3.418 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCNc1ncccn1 ZINC001320411708 1106999363 /nfs/dbraw/zinc/99/93/63/1106999363.db2.gz RQBACTSIELEGHL-KBPBESRZSA-N 1 0 312.417 3.131 20 10 DGCDRO COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001320410483 1106999644 /nfs/dbraw/zinc/99/96/44/1106999644.db2.gz BXNQLJGVPOFDNN-MELADBBJSA-N 1 0 318.417 3.069 20 10 DGCDRO CC[C@@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1cc(Cl)ccc1O ZINC001320533431 1107043204 /nfs/dbraw/zinc/04/32/04/1107043204.db2.gz JHIWBPVXVMNYGW-CQSZACIVSA-N 1 0 321.808 3.399 20 10 DGCDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001321026145 1107225779 /nfs/dbraw/zinc/22/57/79/1107225779.db2.gz XMXZRYPCWMZEBO-GOSISDBHSA-N 1 0 324.472 3.400 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](CO)CC(F)(F)F ZINC001321037649 1107230391 /nfs/dbraw/zinc/23/03/91/1107230391.db2.gz PVOARIQGWPCXDV-OUAUKWLOSA-N 1 0 303.324 3.152 20 10 DGCDRO CCOC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(C)C ZINC001261814337 1107534300 /nfs/dbraw/zinc/53/43/00/1107534300.db2.gz YOSWHGAGUHAPDD-OAHLLOKOSA-N 1 0 300.393 3.182 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c1O ZINC001262111770 1107623377 /nfs/dbraw/zinc/62/33/77/1107623377.db2.gz PDBBFPSFTDYLKE-LIRRHRJNSA-N 1 0 315.413 3.095 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c1O ZINC001262111767 1107623782 /nfs/dbraw/zinc/62/37/82/1107623782.db2.gz PDBBFPSFTDYLKE-AUUYWEPGSA-N 1 0 315.413 3.095 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cnn(CCF)c1 ZINC001262484992 1107717355 /nfs/dbraw/zinc/71/73/55/1107717355.db2.gz PFROJXDSYHKADT-TZMCWYRMSA-N 1 0 303.381 3.205 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1O ZINC000380076481 1108054140 /nfs/dbraw/zinc/05/41/40/1108054140.db2.gz IKGGTPKBCIOBGA-SECBINFHSA-N 1 0 309.715 3.438 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCNC(=O)C(C)C ZINC001323828647 1108096050 /nfs/dbraw/zinc/09/60/50/1108096050.db2.gz CCEXVOFHXGCOSZ-KBPBESRZSA-N 1 0 304.434 3.001 20 10 DGCDRO OC[C@H]([C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1)C1CC1 ZINC001324376641 1108270801 /nfs/dbraw/zinc/27/08/01/1108270801.db2.gz CHJRCSAMOOVLPC-VQTJNVASSA-N 1 0 314.473 3.174 20 10 DGCDRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001324745706 1108449847 /nfs/dbraw/zinc/44/98/47/1108449847.db2.gz FAKPBHBRIYQZLQ-LPHOPBHVSA-N 1 0 301.478 3.201 20 10 DGCDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001324916591 1108509410 /nfs/dbraw/zinc/50/94/10/1108509410.db2.gz WSUKORYZLVOFTG-VQIMIIECSA-N 1 0 302.462 3.412 20 10 DGCDRO c1c[nH]c([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001319696397 1108598102 /nfs/dbraw/zinc/59/81/02/1108598102.db2.gz RVVMLFAULAQQLD-KRWDZBQOSA-N 1 0 310.445 3.390 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC001319780152 1108632431 /nfs/dbraw/zinc/63/24/31/1108632431.db2.gz YKACIHFCCJHNQE-SFHVURJKSA-N 1 0 316.445 3.062 20 10 DGCDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319932683 1108699699 /nfs/dbraw/zinc/69/96/99/1108699699.db2.gz RFQRYVODKDZNOY-HNNXBMFYSA-N 1 0 307.457 3.054 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC(C)C)C2)cc1C ZINC001265418315 1108868483 /nfs/dbraw/zinc/86/84/83/1108868483.db2.gz CTPSUJZNXOCSGW-KRWDZBQOSA-N 1 0 318.461 3.130 20 10 DGCDRO CC[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001280469369 1109208778 /nfs/dbraw/zinc/20/87/78/1109208778.db2.gz ZMHKUFLPTZJGSE-CQSZACIVSA-N 1 0 318.461 3.178 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(CO)CCCCCCC2)c1O ZINC001308017187 1111366026 /nfs/dbraw/zinc/36/60/26/1111366026.db2.gz JFPPGUZLBCRWJC-UHFFFAOYSA-N 1 0 323.408 3.299 20 10 DGCDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308264505 1111407772 /nfs/dbraw/zinc/40/77/72/1111407772.db2.gz PLOXTENUKPESIV-KDOFPFPSSA-N 1 0 316.420 3.146 20 10 DGCDRO COc1cc(C[NH2+]CC[C@H](O)C(C)C)c(O)c(C(C)(C)C)c1 ZINC001308273632 1111408534 /nfs/dbraw/zinc/40/85/34/1111408534.db2.gz BYGBYROCNJREKC-INIZCTEOSA-N 1 0 309.450 3.195 20 10 DGCDRO c1cc(CNC2CC[NH+](C3CCCC3)CC2)cc2c1OCC2 ZINC001308299862 1111412904 /nfs/dbraw/zinc/41/29/04/1111412904.db2.gz GMBPXGMQTZSPIP-UHFFFAOYSA-N 1 0 300.446 3.118 20 10 DGCDRO CCCC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001308326302 1111417196 /nfs/dbraw/zinc/41/71/96/1111417196.db2.gz BTBDMWMSWHSAQN-UHFFFAOYSA-N 1 0 319.468 3.247 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCCS2)cc1F ZINC001308342529 1111418880 /nfs/dbraw/zinc/41/88/80/1111418880.db2.gz IKBYGNLPFHWGDP-LBPRGKRZSA-N 1 0 300.418 3.406 20 10 DGCDRO c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CO2 ZINC001308382828 1111423734 /nfs/dbraw/zinc/42/37/34/1111423734.db2.gz BPDQCARUKURVKB-SFHVURJKSA-N 1 0 309.409 3.495 20 10 DGCDRO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(Cl)cc1O ZINC001308576695 1111446877 /nfs/dbraw/zinc/44/68/77/1111446877.db2.gz QTTICMYFMGBNQO-MRXNPFEDSA-N 1 0 303.789 3.137 20 10 DGCDRO CC[NH+](CC)[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308660928 1111457639 /nfs/dbraw/zinc/45/76/39/1111457639.db2.gz UZNNWSPLCALWGZ-IHHMQQGQSA-N 1 0 301.478 3.182 20 10 DGCDRO Cn1cc(C[NH2+]Cc2cc(F)ccc2O)c(-c2ccccc2)n1 ZINC001308681664 1111459610 /nfs/dbraw/zinc/45/96/10/1111459610.db2.gz FEFHWGIYKXQEJE-UHFFFAOYSA-N 1 0 311.360 3.222 20 10 DGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(F)cc2)c(O)c1 ZINC001308741943 1111468122 /nfs/dbraw/zinc/46/81/22/1111468122.db2.gz XMAXMOPWCSPLSI-UHFFFAOYSA-N 1 0 316.420 3.404 20 10 DGCDRO COC(=O)C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)C(C)(C)C ZINC001308957097 1111500017 /nfs/dbraw/zinc/50/00/17/1111500017.db2.gz WTXHVVCAFLPNRZ-INIZCTEOSA-N 1 0 306.450 3.128 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C2CCC2)cc1 ZINC000090185611 185286443 /nfs/dbraw/zinc/28/64/43/185286443.db2.gz UWEWMIVUBAQCNN-HNNXBMFYSA-N 1 0 317.477 3.100 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(N(C)C)cc1 ZINC000090531759 185301027 /nfs/dbraw/zinc/30/10/27/185301027.db2.gz SWHJLBPXJTUKEC-ACJLOTCBSA-N 1 0 300.450 3.456 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(N(C)C)cc1 ZINC000090531753 185301137 /nfs/dbraw/zinc/30/11/37/185301137.db2.gz SWHJLBPXJTUKEC-UGSOOPFHSA-N 1 0 300.450 3.456 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(N(C)C)cc1 ZINC000090531767 185301139 /nfs/dbraw/zinc/30/11/39/185301139.db2.gz SWHJLBPXJTUKEC-FZKQIMNGSA-N 1 0 300.450 3.456 20 10 DGCDRO C[C@H](c1ccco1)[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000092484155 185321806 /nfs/dbraw/zinc/32/18/06/185321806.db2.gz KWNVIETUHBXUJU-LLVKDONJSA-N 1 0 301.342 3.440 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000066703141 432019606 /nfs/dbraw/zinc/01/96/06/432019606.db2.gz VPQQLXHFKYNXNK-OAHLLOKOSA-N 1 0 321.465 3.044 20 10 DGCDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273606646 535183153 /nfs/dbraw/zinc/18/31/53/535183153.db2.gz UFXLIVDFNKWJNJ-GXFFZTMASA-N 1 0 316.239 3.212 20 10 DGCDRO CC[N@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1O ZINC000179604141 432064689 /nfs/dbraw/zinc/06/46/89/432064689.db2.gz GHPPIIGTHPDYLZ-UHFFFAOYSA-N 1 0 307.415 3.493 20 10 DGCDRO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccccc1O ZINC000179579882 432063894 /nfs/dbraw/zinc/06/38/94/432063894.db2.gz QNRWSJPBWRQUFD-UHFFFAOYSA-N 1 0 312.413 3.470 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000091974470 193134694 /nfs/dbraw/zinc/13/46/94/193134694.db2.gz CQPPMYWUVDDUOA-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000156368741 296122573 /nfs/dbraw/zinc/12/25/73/296122573.db2.gz NGQQOCSNFJMGNP-CYBMUJFWSA-N 1 0 317.399 3.287 20 10 DGCDRO COC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093337316 193235334 /nfs/dbraw/zinc/23/53/34/193235334.db2.gz BZTOVPMINLCGCR-NSHDSACASA-N 1 0 314.223 3.013 20 10 DGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000268945010 432148690 /nfs/dbraw/zinc/14/86/90/432148690.db2.gz BBDYZGCQNUIEBW-DYVFJYSZSA-N 1 0 304.459 3.372 20 10 DGCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1OCCc2ccccc21 ZINC000272230413 130010809 /nfs/dbraw/zinc/01/08/09/130010809.db2.gz DPWQEAOTXNQYKR-SFHVURJKSA-N 1 0 301.361 3.277 20 10 DGCDRO Cc1cccc(CN2CCc3c(ncn3-c3ccccc3)C2)c1O ZINC000272640848 130047825 /nfs/dbraw/zinc/04/78/25/130047825.db2.gz OHWPAIIBNJRQBM-UHFFFAOYSA-N 1 0 319.408 3.445 20 10 DGCDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000272659795 130050791 /nfs/dbraw/zinc/05/07/91/130050791.db2.gz RFZCSXFBFXGTMC-KGLIPLIRSA-N 1 0 320.433 3.127 20 10 DGCDRO C[C@@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOC1 ZINC000273192003 130096622 /nfs/dbraw/zinc/09/66/22/130096622.db2.gz PZVMHDBCASFGKW-LJQANCHMSA-N 1 0 313.397 3.240 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c(O)c1 ZINC000273376119 130114798 /nfs/dbraw/zinc/11/47/98/130114798.db2.gz HIXWYZRBSDWBMR-HNNXBMFYSA-N 1 0 322.412 3.191 20 10 DGCDRO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(F)ccc1O ZINC000273418552 130119707 /nfs/dbraw/zinc/11/97/07/130119707.db2.gz IYWMACVZZCKONG-XJKSGUPXSA-N 1 0 303.377 3.176 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nncn2-c2ccccc2)c(O)c1C ZINC000273435015 130120807 /nfs/dbraw/zinc/12/08/07/130120807.db2.gz WRZAFYOPUBMZLU-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000273443709 130121849 /nfs/dbraw/zinc/12/18/49/130121849.db2.gz ZFFRFKNXGCBZKG-HNNXBMFYSA-N 1 0 312.413 3.090 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H](O)c1cccc(F)c1 ZINC000273533279 130133867 /nfs/dbraw/zinc/13/38/67/130133867.db2.gz WUXVQHMWWYFPGO-WVQJBOLRSA-N 1 0 307.340 3.443 20 10 DGCDRO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000273542172 130134237 /nfs/dbraw/zinc/13/42/37/130134237.db2.gz YPKKJHVBSZNZBR-NEPJUHHUSA-N 1 0 314.433 3.363 20 10 DGCDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(Br)cc1O ZINC000273546728 130134719 /nfs/dbraw/zinc/13/47/19/130134719.db2.gz ZNBIJEBFZBRNFC-WDEREUQCSA-N 1 0 316.239 3.214 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c1 ZINC000273560538 130136348 /nfs/dbraw/zinc/13/63/48/130136348.db2.gz IBRGKFVXBNLOBX-AWEZNQCLSA-N 1 0 304.434 3.142 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c(O)c1C ZINC000273571672 130138256 /nfs/dbraw/zinc/13/82/56/130138256.db2.gz KVLXMAGQXRQWQY-OAHLLOKOSA-N 1 0 318.461 3.308 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@H]1CCOC1 ZINC000273604569 130144176 /nfs/dbraw/zinc/14/41/76/130144176.db2.gz SUQBKEJURMUDLZ-VWYCJHECSA-N 1 0 314.223 3.230 20 10 DGCDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273622720 130146576 /nfs/dbraw/zinc/14/65/76/130146576.db2.gz ZLXWWHWYYUSELM-YGRLFVJLSA-N 1 0 316.239 3.356 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)[C@@]12CCCO2 ZINC000274146216 130211026 /nfs/dbraw/zinc/21/10/26/130211026.db2.gz DSXYHJBVZXATLG-RUGDWHBFSA-N 1 0 305.418 3.078 20 10 DGCDRO O=C1OCC[C@@]12CCC[N@H+]2Cc1cc(-c2ccccc2)ccc1O ZINC000275155235 130295649 /nfs/dbraw/zinc/29/56/49/130295649.db2.gz VJZINCXWTMFZQT-FQEVSTJZSA-N 1 0 323.392 3.341 20 10 DGCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000284202036 131058945 /nfs/dbraw/zinc/05/89/45/131058945.db2.gz ZASZOBZNYLWLMX-GOSISDBHSA-N 1 0 314.429 3.102 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC000285021600 131131887 /nfs/dbraw/zinc/13/18/87/131131887.db2.gz KAEVDTDHNOWZMU-AEFFLSMTSA-N 1 0 305.418 3.324 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOc2ncccc2F)c(O)c1 ZINC000285363920 131160505 /nfs/dbraw/zinc/16/05/05/131160505.db2.gz VSZQXSKDVMQRNZ-CYBMUJFWSA-N 1 0 304.365 3.273 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285724442 131196645 /nfs/dbraw/zinc/19/66/45/131196645.db2.gz QIDGRCZPAVYUMX-BDAKNGLRSA-N 1 0 323.299 3.385 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(SC)c(OC)c2)c1O ZINC000289423415 131385647 /nfs/dbraw/zinc/38/56/47/131385647.db2.gz JNCHXHQOYJGIAM-UHFFFAOYSA-N 1 0 319.426 3.421 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000290144797 131457639 /nfs/dbraw/zinc/45/76/39/131457639.db2.gz OGPHHDLXSMVGKA-QGZVFWFLSA-N 1 0 302.393 3.232 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]CC1CC(F)(F)C1 ZINC000291750885 131596972 /nfs/dbraw/zinc/59/69/72/131596972.db2.gz QDAAGDVEYGIVJV-UHFFFAOYSA-N 1 0 306.150 3.290 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCN(c3ccccc3F)C1)CC2 ZINC000297388442 132013541 /nfs/dbraw/zinc/01/35/41/132013541.db2.gz RPBTXZFQGYAODD-GDBMZVCRSA-N 1 0 312.388 3.387 20 10 DGCDRO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297613707 132025358 /nfs/dbraw/zinc/02/53/58/132025358.db2.gz IPOACQGZUGFTJN-MRXNPFEDSA-N 1 0 316.445 3.006 20 10 DGCDRO COc1ccc(OC)c(CC[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000297918858 132040429 /nfs/dbraw/zinc/04/04/29/132040429.db2.gz XBFGKBCGBSPNTF-MRXNPFEDSA-N 1 0 313.397 3.229 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086254093 401177483 /nfs/dbraw/zinc/17/74/83/401177483.db2.gz XABHNMZNVWVTGY-MRXNPFEDSA-N 1 0 319.836 3.128 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000089912291 401243005 /nfs/dbraw/zinc/24/30/05/401243005.db2.gz QZQTYCXXOIAZPS-GOSISDBHSA-N 1 0 324.424 3.015 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c(O)c1 ZINC000185687513 292196425 /nfs/dbraw/zinc/19/64/25/292196425.db2.gz RTJDHJQVOGNBNN-ZIAGYGMSSA-N 1 0 315.392 3.164 20 10 DGCDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000269070743 432154108 /nfs/dbraw/zinc/15/41/08/432154108.db2.gz ZZHMNKSJZJXTKF-RYUDHWBXSA-N 1 0 304.356 3.371 20 10 DGCDRO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)Cc1ccccc1O ZINC000269605812 432187541 /nfs/dbraw/zinc/18/75/41/432187541.db2.gz CFABGYFIBSZMSU-AWEZNQCLSA-N 1 0 304.434 3.004 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000183546787 228374074 /nfs/dbraw/zinc/37/40/74/228374074.db2.gz GMTOWLBJTVGBHO-LBPRGKRZSA-N 1 0 308.422 3.346 20 10 DGCDRO OC[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCCc2ccccc21 ZINC000374147101 229562298 /nfs/dbraw/zinc/56/22/98/229562298.db2.gz HGPXWSFOBZTAEQ-GOSISDBHSA-N 1 0 317.816 3.359 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(CO)c1 ZINC000270541371 432256581 /nfs/dbraw/zinc/25/65/81/432256581.db2.gz XMFABWBSFXJASO-ZDUSSCGKSA-N 1 0 302.393 3.235 20 10 DGCDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185338429 275491144 /nfs/dbraw/zinc/49/11/44/275491144.db2.gz KEBWMMUTYWYGON-LBPRGKRZSA-N 1 0 316.376 3.383 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)cc1OC ZINC000271955131 277833535 /nfs/dbraw/zinc/83/35/35/277833535.db2.gz CIOSQJVRUCNABB-HUUCEWRRSA-N 1 0 323.433 3.093 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1O ZINC000289972029 278012479 /nfs/dbraw/zinc/01/24/79/278012479.db2.gz YYOFOVFJNIILCV-QGZVFWFLSA-N 1 0 319.426 3.040 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1cn[nH]c1 ZINC000280216450 278357335 /nfs/dbraw/zinc/35/73/35/278357335.db2.gz IOTIGNUQIGEXAS-SNVBAGLBSA-N 1 0 312.339 3.345 20 10 DGCDRO CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000287534714 288040307 /nfs/dbraw/zinc/04/03/07/288040307.db2.gz PCOKPDIZORSUQK-PBHICJAKSA-N 1 0 324.440 3.073 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1ccccn1)C[C@H]1CCCO1 ZINC000111232946 431198526 /nfs/dbraw/zinc/19/85/26/431198526.db2.gz MZFNTZPHFUWAEA-GOSISDBHSA-N 1 0 312.413 3.011 20 10 DGCDRO CC[N@H+](CCCOC)Cc1cc(Br)ccc1O ZINC000076118520 431526069 /nfs/dbraw/zinc/52/60/69/431526069.db2.gz DXMKUUPDZCCGGQ-UHFFFAOYSA-N 1 0 302.212 3.013 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000077325652 431584894 /nfs/dbraw/zinc/58/48/94/431584894.db2.gz NZFIWYOZMISWCT-INIZCTEOSA-N 1 0 303.789 3.098 20 10 DGCDRO CC(C)OCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000119488924 431698960 /nfs/dbraw/zinc/69/89/60/431698960.db2.gz YLJQGZDGVNJHJI-KRWDZBQOSA-N 1 0 307.434 3.188 20 10 DGCDRO CS[C@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092064102 431907529 /nfs/dbraw/zinc/90/75/29/431907529.db2.gz GOUPQXYMPCHYOM-SFHVURJKSA-N 1 0 320.502 3.241 20 10 DGCDRO CN(C)c1ccc(CN2CCCC[C@@H]2c2ncc[nH]2)cc1F ZINC000125274486 431919764 /nfs/dbraw/zinc/91/97/64/431919764.db2.gz UVRYPFZWZFETTR-MRXNPFEDSA-N 1 0 302.397 3.342 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1 ZINC000090802177 431895994 /nfs/dbraw/zinc/89/59/94/431895994.db2.gz IETGWHRXZMDIKR-DOTOQJQBSA-N 1 0 310.445 3.077 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(C3CC3)CC2)cc1F ZINC000152040804 432300042 /nfs/dbraw/zinc/30/00/42/432300042.db2.gz YRQYWMWHIWBBPQ-UHFFFAOYSA-N 1 0 319.468 3.388 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1O ZINC000183515707 432301017 /nfs/dbraw/zinc/30/10/17/432301017.db2.gz CAGKSOVQFGEVSO-HIFRSBDPSA-N 1 0 310.397 3.128 20 10 DGCDRO CC(C)(CCO)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183156774 432263631 /nfs/dbraw/zinc/26/36/31/432263631.db2.gz LHRTWODGAPPLRY-UHFFFAOYSA-N 1 0 315.413 3.222 20 10 DGCDRO NC(=O)CC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271056783 432323350 /nfs/dbraw/zinc/32/33/50/432323350.db2.gz ANAJVUPAAAZWJC-UHFFFAOYSA-N 1 0 324.424 3.147 20 10 DGCDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271052367 432323431 /nfs/dbraw/zinc/32/34/31/432323431.db2.gz WXGVUAAPHNVGAQ-GOSISDBHSA-N 1 0 324.424 3.112 20 10 DGCDRO CCOc1cccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1O ZINC000271213179 432355579 /nfs/dbraw/zinc/35/55/79/432355579.db2.gz VLYSQNVVQSOOLY-UHFFFAOYSA-N 1 0 301.308 3.485 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](COC)c2ccc(CC)o2)c1O ZINC000174481152 432350300 /nfs/dbraw/zinc/35/03/00/432350300.db2.gz TUIYHBGZCJBSBE-HNNXBMFYSA-N 1 0 319.401 3.424 20 10 DGCDRO CC[C@](C)([NH2+]Cc1cc2c(cc1O)OCO2)c1nc(C)cs1 ZINC000174499799 432352426 /nfs/dbraw/zinc/35/24/26/432352426.db2.gz XDEZOLJWHDDDLA-INIZCTEOSA-N 1 0 320.414 3.301 20 10 DGCDRO C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1O ZINC000183599513 432307242 /nfs/dbraw/zinc/30/72/42/432307242.db2.gz DOAHSWWMIBFGDF-ZDUSSCGKSA-N 1 0 316.376 3.002 20 10 DGCDRO COc1cc(NCC[NH2+][C@H](C)c2ccccc2O)cc(OC)c1 ZINC000183626115 432310140 /nfs/dbraw/zinc/31/01/40/432310140.db2.gz VHUUJFCPWWKZAN-CYBMUJFWSA-N 1 0 316.401 3.172 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1F ZINC000271210713 432354761 /nfs/dbraw/zinc/35/47/61/432354761.db2.gz YGZUAJDEPKSRRJ-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000184305485 432377731 /nfs/dbraw/zinc/37/77/31/432377731.db2.gz XEGFMPQYYNKISI-PONJGIIJSA-N 1 0 322.518 3.485 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)cc1 ZINC000271491085 432407186 /nfs/dbraw/zinc/40/71/86/432407186.db2.gz KUBCALNAESEEDC-FZMZJTMJSA-N 1 0 304.356 3.107 20 10 DGCDRO C[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000271461864 432400298 /nfs/dbraw/zinc/40/02/98/432400298.db2.gz JXFYGUGXIGMMHU-QWRGUYRKSA-N 1 0 314.223 3.059 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)c1O ZINC000271922367 432428273 /nfs/dbraw/zinc/42/82/73/432428273.db2.gz CGDVXMNWKOMSON-XIKOKIGWSA-N 1 0 319.376 3.406 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)CCc2ccccn2)c1O ZINC000184745035 432428951 /nfs/dbraw/zinc/42/89/51/432428951.db2.gz NCAXFZJMKRWLKW-UHFFFAOYSA-N 1 0 306.793 3.124 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000271952785 432431260 /nfs/dbraw/zinc/43/12/60/432431260.db2.gz FATGXXDIXAAZMG-DOTOQJQBSA-N 1 0 307.434 3.474 20 10 DGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3cc[nH]c3)C2)cc1 ZINC000175714293 432459140 /nfs/dbraw/zinc/45/91/40/432459140.db2.gz XOVDQEJTOVZYIL-CQSZACIVSA-N 1 0 321.371 3.375 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000184936787 432447391 /nfs/dbraw/zinc/44/73/91/432447391.db2.gz BWWGQLSKXPMMFP-CYBMUJFWSA-N 1 0 302.393 3.444 20 10 DGCDRO C[C@@H]([NH2+]CCCn1cccn1)c1ccc(Br)cc1O ZINC000184957398 432448624 /nfs/dbraw/zinc/44/86/24/432448624.db2.gz RSCABCYOWJEPKT-LLVKDONJSA-N 1 0 324.222 3.092 20 10 DGCDRO C[C@@H](c1ccsc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000184971026 432451067 /nfs/dbraw/zinc/45/10/67/432451067.db2.gz IAQGPICBZUJOHA-AWEZNQCLSA-N 1 0 302.443 3.333 20 10 DGCDRO COc1ccc(OC)c(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000271711974 432421960 /nfs/dbraw/zinc/42/19/60/432421960.db2.gz ONFIVJMPDRMSSO-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1O ZINC000271713666 432422747 /nfs/dbraw/zinc/42/27/47/432422747.db2.gz OTTVJHXODNGPFM-PBHICJAKSA-N 1 0 319.376 3.012 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cccc(C)c2O)cc(OC)c1 ZINC000271744635 432424342 /nfs/dbraw/zinc/42/43/42/432424342.db2.gz SIDAGWPRWGGSQJ-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185418853 432499399 /nfs/dbraw/zinc/49/93/99/432499399.db2.gz BQQCPPQKMLJQLE-ACJLOTCBSA-N 1 0 301.386 3.093 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442285 432500852 /nfs/dbraw/zinc/50/08/52/432500852.db2.gz CQFMXTSAMCDACV-ZIAGYGMSSA-N 1 0 320.433 3.361 20 10 DGCDRO Cc1cccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1O ZINC000185581109 432511233 /nfs/dbraw/zinc/51/12/33/432511233.db2.gz XFCNVXFDGLVXGK-HNNXBMFYSA-N 1 0 305.418 3.254 20 10 DGCDRO CCCCNC(=O)C1([NH2+]Cc2ccccc2O)CCCCC1 ZINC000154629094 432511407 /nfs/dbraw/zinc/51/14/07/432511407.db2.gz HVHXEZIIPMQHNB-UHFFFAOYSA-N 1 0 304.434 3.101 20 10 DGCDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cn1 ZINC000185084138 432464040 /nfs/dbraw/zinc/46/40/40/432464040.db2.gz LBLCQZVKUQOQHI-CQSZACIVSA-N 1 0 322.412 3.441 20 10 DGCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185129793 432470772 /nfs/dbraw/zinc/47/07/72/432470772.db2.gz VXDPZPWAFMSLNX-HOTGVXAUSA-N 1 0 315.413 3.100 20 10 DGCDRO COc1ccccc1C[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000263655683 432563306 /nfs/dbraw/zinc/56/33/06/432563306.db2.gz FTEPTDCBPNOJGD-ZDUSSCGKSA-N 1 0 301.386 3.130 20 10 DGCDRO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000185658190 432520497 /nfs/dbraw/zinc/52/04/97/432520497.db2.gz IWIUOZRMGAAOGR-GCAAKWKVSA-N 1 0 313.438 3.262 20 10 DGCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000185657372 432520901 /nfs/dbraw/zinc/52/09/01/432520901.db2.gz UWXNLBUGRIUJOJ-ZYKFEASCSA-N 1 0 309.475 3.431 20 10 DGCDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185676576 432522816 /nfs/dbraw/zinc/52/28/16/432522816.db2.gz LWEMJNRCXQATNL-QWRGUYRKSA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1O ZINC000185674302 432522964 /nfs/dbraw/zinc/52/29/64/432522964.db2.gz VDCSXADDZVQGKQ-YKJXYISPSA-N 1 0 303.789 3.355 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c1O ZINC000155070853 432536558 /nfs/dbraw/zinc/53/65/58/432536558.db2.gz IMCMJIVGRPOARP-KRWDZBQOSA-N 1 0 305.805 3.351 20 10 DGCDRO C=Cn1cc(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)cn1 ZINC000194303809 432539801 /nfs/dbraw/zinc/53/98/01/432539801.db2.gz SFJXMFCZPODHIR-UHFFFAOYSA-N 1 0 302.397 3.259 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000155187291 432542200 /nfs/dbraw/zinc/54/22/00/432542200.db2.gz OQVAQMAIVJGPAN-QFIPXVFZSA-N 1 0 316.470 3.122 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000155187191 432542222 /nfs/dbraw/zinc/54/22/22/432542222.db2.gz OQVAQMAIVJGPAN-JOCHJYFZSA-N 1 0 316.470 3.122 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000186189758 432566351 /nfs/dbraw/zinc/56/63/51/432566351.db2.gz RZMZDNBRABRPQU-SGTLLEGYSA-N 1 0 319.376 3.098 20 10 DGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000186190310 432566913 /nfs/dbraw/zinc/56/69/13/432566913.db2.gz WNSXCOUTFNGOIM-DIFFPNOSSA-N 1 0 307.340 3.229 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2cn3c(n2)CCCC3)c(O)c1 ZINC000263718787 432569338 /nfs/dbraw/zinc/56/93/38/432569338.db2.gz ASAHHRFDEONFOJ-UHFFFAOYSA-N 1 0 315.417 3.004 20 10 DGCDRO C[C@H]([NH2+]CCCCCCO)c1cc(Br)ccc1O ZINC000186230930 432570466 /nfs/dbraw/zinc/57/04/66/432570466.db2.gz CJXZJRJPSDZQSX-NSHDSACASA-N 1 0 316.239 3.358 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604898 432617406 /nfs/dbraw/zinc/61/74/06/432617406.db2.gz SZXDLRBZOVLKPJ-KGLIPLIRSA-N 1 0 321.421 3.071 20 10 DGCDRO CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273376986 432592444 /nfs/dbraw/zinc/59/24/44/432592444.db2.gz HJNCPAMRDOKUCU-ZDUSSCGKSA-N 1 0 321.421 3.071 20 10 DGCDRO COCCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000186912494 432636300 /nfs/dbraw/zinc/63/63/00/432636300.db2.gz YAWWLVFRKQCKPI-JTQLQIEISA-N 1 0 302.212 3.150 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCO2)c1O ZINC000186919326 432636638 /nfs/dbraw/zinc/63/66/38/432636638.db2.gz NPAOWVWPSMTAEQ-ZYHUDNBSSA-N 1 0 314.223 3.293 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CC(C)(C)OC)CC2)cc1 ZINC000157400925 432618768 /nfs/dbraw/zinc/61/87/68/432618768.db2.gz ZIGVBVPHBOUQNW-HNNXBMFYSA-N 1 0 320.477 3.457 20 10 DGCDRO Cn1cc([C@H]([NH2+]Cc2ccccc2O)c2ccc(F)cc2)cn1 ZINC000187516945 432667405 /nfs/dbraw/zinc/66/74/05/432667405.db2.gz ZEQASQFNYHZOPU-GOSISDBHSA-N 1 0 311.360 3.144 20 10 DGCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1c(O)cccc1Cl ZINC000227690915 432713276 /nfs/dbraw/zinc/71/32/76/432713276.db2.gz JFQNOGBZCHNVRQ-JTQLQIEISA-N 1 0 314.813 3.048 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227686805 432713562 /nfs/dbraw/zinc/71/35/62/432713562.db2.gz JZIKRHSPFKMVSO-CHWSQXEVSA-N 1 0 308.422 3.264 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000227684601 432713793 /nfs/dbraw/zinc/71/37/93/432713793.db2.gz UWIZBLKDBCXMJW-QWHCGFSZSA-N 1 0 308.422 3.264 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000178294588 432716305 /nfs/dbraw/zinc/71/63/05/432716305.db2.gz DAOGXFMBGLUEPH-INIZCTEOSA-N 1 0 317.477 3.196 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)ccc1OC ZINC000178780209 432776760 /nfs/dbraw/zinc/77/67/60/432776760.db2.gz GLKQEGWOBYYECE-INIZCTEOSA-N 1 0 307.434 3.279 20 10 DGCDRO COCCC(C)(C)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230943402 432731418 /nfs/dbraw/zinc/73/14/18/432731418.db2.gz IUEXNAZDKBLWGM-UHFFFAOYSA-N 1 0 301.814 3.207 20 10 DGCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2O)cc1O ZINC000277260168 432831353 /nfs/dbraw/zinc/83/13/53/432831353.db2.gz QKKBBYSWWJEZBE-CYBMUJFWSA-N 1 0 301.386 3.217 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)CC2 ZINC000296247269 432888267 /nfs/dbraw/zinc/88/82/67/432888267.db2.gz BCEYGGXIDIWEES-GOEBONIOSA-N 1 0 321.779 3.495 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCCCC[C@H]2O)ccc1OC ZINC000288329558 432890890 /nfs/dbraw/zinc/89/08/90/432890890.db2.gz ANKVAYPAMLOHDM-IAGOWNOFSA-N 1 0 307.434 3.015 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCOCC(F)(F)C(F)F)cc1C ZINC000277484369 432854639 /nfs/dbraw/zinc/85/46/39/432854639.db2.gz MWMWAVVNOXMFOE-UHFFFAOYSA-N 1 0 309.303 3.016 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)cc1 ZINC000279008855 432926149 /nfs/dbraw/zinc/92/61/49/432926149.db2.gz SOVSGMZJQMXNPI-HOTGVXAUSA-N 1 0 312.461 3.252 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1COC3(CCCCC3)O1)CC2 ZINC000296979576 432944781 /nfs/dbraw/zinc/94/47/81/432944781.db2.gz RVVGHKSPBQBZEK-HUUCEWRRSA-N 1 0 303.402 3.045 20 10 DGCDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)[nH]1 ZINC000296404346 432904035 /nfs/dbraw/zinc/90/40/35/432904035.db2.gz KNJHDQZPCXDLAW-DMDPSCGWSA-N 1 0 300.406 3.362 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@@H]1CCCO1 ZINC000278838950 432907327 /nfs/dbraw/zinc/90/73/27/432907327.db2.gz PKECFUCEGVMFMS-IXDGSTSKSA-N 1 0 319.445 3.116 20 10 DGCDRO C[C@H](c1cc(F)ccc1O)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296473748 432911694 /nfs/dbraw/zinc/91/16/94/432911694.db2.gz NWKCNZQLWZXDSY-OLZOCXBDSA-N 1 0 322.424 3.206 20 10 DGCDRO CC[C@H]([NH2+]CCc1nnc(C)s1)c1ccc(N(C)C)cc1 ZINC000289714580 432973283 /nfs/dbraw/zinc/97/32/83/432973283.db2.gz JGDQKYJXUSDTJK-HNNXBMFYSA-N 1 0 304.463 3.196 20 10 DGCDRO CCc1nnc(CNCc2ccc(N3CCCCC3)cc2)s1 ZINC000289895479 432979549 /nfs/dbraw/zinc/97/95/49/432979549.db2.gz SXVOAOFTUPZODN-UHFFFAOYSA-N 1 0 316.474 3.381 20 10 DGCDRO COCc1nc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cs1 ZINC000289947678 432980771 /nfs/dbraw/zinc/98/07/71/432980771.db2.gz WGSKGYGUCGTXKF-LBPRGKRZSA-N 1 0 306.431 3.463 20 10 DGCDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)OC ZINC000290017141 432983343 /nfs/dbraw/zinc/98/33/43/432983343.db2.gz CCRAPAZEHWEPKU-GXSJLCMTSA-N 1 0 302.212 3.230 20 10 DGCDRO CCOc1cccc(C[NH+]2CC(COc3ccccc3)C2)c1O ZINC000297506779 432997117 /nfs/dbraw/zinc/99/71/17/432997117.db2.gz WUIDGCKUCFCUJQ-UHFFFAOYSA-N 1 0 313.397 3.302 20 10 DGCDRO CC[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(C)cc1O ZINC000280073918 433001692 /nfs/dbraw/zinc/00/16/92/433001692.db2.gz LDXBCKSDMBKQJT-DOTOQJQBSA-N 1 0 308.491 3.179 20 10 DGCDRO CCCC[N@H+](CCCO)Cc1cc(Cl)cc(OC)c1O ZINC000289403516 432955023 /nfs/dbraw/zinc/95/50/23/432955023.db2.gz GVASOUWKOSTZDO-UHFFFAOYSA-N 1 0 301.814 3.039 20 10 DGCDRO CC[C@@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280132581 433003002 /nfs/dbraw/zinc/00/30/02/433003002.db2.gz DGUVPGYJIAOLOO-CYBMUJFWSA-N 1 0 304.356 3.022 20 10 DGCDRO CC[C@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280132586 433004306 /nfs/dbraw/zinc/00/43/06/433004306.db2.gz DGUVPGYJIAOLOO-ZDUSSCGKSA-N 1 0 304.356 3.022 20 10 DGCDRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297671383 433005523 /nfs/dbraw/zinc/00/55/23/433005523.db2.gz LAFNGMONCPICRZ-QAPCUYQASA-N 1 0 322.408 3.054 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccccc2)c1 ZINC000290183264 433009025 /nfs/dbraw/zinc/00/90/25/433009025.db2.gz FMGAISKWEYJRAR-JCGVRSQUSA-N 1 0 301.386 3.174 20 10 DGCDRO CN(C)C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000290201595 433011498 /nfs/dbraw/zinc/01/14/98/433011498.db2.gz USKDMYNQYPTTEN-IBGZPJMESA-N 1 0 315.436 3.284 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@]2(C)CCCO)c1O ZINC000290301377 433028980 /nfs/dbraw/zinc/02/89/80/433028980.db2.gz BHOFAPFJPDXNKK-MRXNPFEDSA-N 1 0 313.825 3.181 20 10 DGCDRO COc1cc(O)c(C[NH2+]CCCc2ccccc2F)cc1OC ZINC000280325370 433035611 /nfs/dbraw/zinc/03/56/11/433035611.db2.gz QQQFLCQBXGHETP-UHFFFAOYSA-N 1 0 319.376 3.271 20 10 DGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cccc(OC)c1O ZINC000290471183 433060351 /nfs/dbraw/zinc/06/03/51/433060351.db2.gz NMZHZPDWKPPCRC-UHFFFAOYSA-N 1 0 317.433 3.072 20 10 DGCDRO COCCC(C)(C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000373527890 433152975 /nfs/dbraw/zinc/15/29/75/433152975.db2.gz FYISHLKZGFUORG-UHFFFAOYSA-N 1 0 320.477 3.316 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c(O)c1 ZINC000290995178 433216080 /nfs/dbraw/zinc/21/60/80/433216080.db2.gz VMEFAQHNXNHOFJ-MRXNPFEDSA-N 1 0 315.417 3.133 20 10 DGCDRO COCCOCc1ccc(C[NH2+]Cc2cccc(C)c2O)cc1 ZINC000291038574 433217862 /nfs/dbraw/zinc/21/78/62/433217862.db2.gz KHFDNKVHTZEVAU-UHFFFAOYSA-N 1 0 315.413 3.153 20 10 DGCDRO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccccc2O)C1 ZINC000291331349 433232420 /nfs/dbraw/zinc/23/24/20/433232420.db2.gz UPNRCGLLVVMOMT-HXUWFJFHSA-N 1 0 311.425 3.209 20 10 DGCDRO COCCOCc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000291296496 433233044 /nfs/dbraw/zinc/23/30/44/433233044.db2.gz SCIGDQCDFHYTAN-OAHLLOKOSA-N 1 0 315.413 3.406 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000281094620 433261236 /nfs/dbraw/zinc/26/12/36/433261236.db2.gz QFPORPVNFKSKRI-IMJJTQAJSA-N 1 0 304.434 3.135 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000291542626 433262555 /nfs/dbraw/zinc/26/25/55/433262555.db2.gz LKLVJNYKPSCJCE-IRXDYDNUSA-N 1 0 305.418 3.180 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000281575823 433312837 /nfs/dbraw/zinc/31/28/37/433312837.db2.gz CWESIHPTQDEOSA-YGRLFVJLSA-N 1 0 311.809 3.248 20 10 DGCDRO Cc1nnsc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000291758377 433339625 /nfs/dbraw/zinc/33/96/25/433339625.db2.gz REFVWCPZSUOZEG-UHFFFAOYSA-N 1 0 302.447 3.127 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC000375301379 433418277 /nfs/dbraw/zinc/41/82/77/433418277.db2.gz GHFHITNXWRFDKY-MRXNPFEDSA-N 1 0 311.809 3.057 20 10 DGCDRO CSC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000292495642 433566123 /nfs/dbraw/zinc/56/61/23/433566123.db2.gz UBCFDDAACILUNO-GFCCVEGCSA-N 1 0 311.422 3.309 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2F)CC1 ZINC000282253211 433544669 /nfs/dbraw/zinc/54/46/69/433544669.db2.gz QMCFPUKMYUKTHG-GOSISDBHSA-N 1 0 318.436 3.209 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000292802131 433598848 /nfs/dbraw/zinc/59/88/48/433598848.db2.gz NRPGJYJAQPNBHQ-MRXNPFEDSA-N 1 0 305.418 3.039 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000292856272 433601340 /nfs/dbraw/zinc/60/13/40/433601340.db2.gz UTHNVAJBLXTUGX-APPDUMDISA-N 1 0 319.426 3.254 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293560535 433781561 /nfs/dbraw/zinc/78/15/61/433781561.db2.gz GAVDREBGPQNDPS-INIZCTEOSA-N 1 0 307.821 3.437 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccccc1O ZINC000293564762 433781911 /nfs/dbraw/zinc/78/19/11/433781911.db2.gz AUOAEWJODDTZFK-HNNXBMFYSA-N 1 0 312.413 3.080 20 10 DGCDRO C[C@H](Nc1nc(N)c2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000302463570 433824663 /nfs/dbraw/zinc/82/46/63/433824663.db2.gz VNAXIKJOKSHSOD-LBPRGKRZSA-N 1 0 307.401 3.451 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cc1C ZINC000376938589 433842210 /nfs/dbraw/zinc/84/22/10/433842210.db2.gz ZVJWQRBKWFMJLV-HXUWFJFHSA-N 1 0 322.408 3.105 20 10 DGCDRO Cc1cc(C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)[nH]n1 ZINC000293775830 433863958 /nfs/dbraw/zinc/86/39/58/433863958.db2.gz LGMVSWHQSUWESQ-UHFFFAOYSA-N 1 0 312.461 3.472 20 10 DGCDRO Cc1nnsc1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000293833709 433886160 /nfs/dbraw/zinc/88/61/60/433886160.db2.gz WPIZUXSUXZCUGS-SNVBAGLBSA-N 1 0 303.431 3.282 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O ZINC000377834122 434017236 /nfs/dbraw/zinc/01/72/36/434017236.db2.gz JEKZWTZMFQFTOX-HOTGVXAUSA-N 1 0 319.445 3.430 20 10 DGCDRO COC1CCN(c2ccc(C[N@H+]3CC=C(C)CC3)cc2)CC1 ZINC000294877468 434149378 /nfs/dbraw/zinc/14/93/78/434149378.db2.gz DWNIHBPRMSLVPF-UHFFFAOYSA-N 1 0 300.446 3.454 20 10 DGCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000294887908 434151063 /nfs/dbraw/zinc/15/10/63/434151063.db2.gz WDUBDKOLWZFUHU-ZBFHGGJFSA-N 1 0 318.461 3.457 20 10 DGCDRO C[C@@H](CCO)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294918338 434155355 /nfs/dbraw/zinc/15/53/55/434155355.db2.gz AOPYNBGMQIZGTP-HNNXBMFYSA-N 1 0 318.486 3.493 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H](CO)c2ccccc2)c1O ZINC000294959185 434155422 /nfs/dbraw/zinc/15/54/22/434155422.db2.gz DQAYXRDXGRPUOZ-HNNXBMFYSA-N 1 0 321.804 3.220 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000295135210 434223935 /nfs/dbraw/zinc/22/39/35/434223935.db2.gz PDGYTWSLFGMLRD-MNOVXSKESA-N 1 0 321.339 3.409 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccnc(N3CCCC3)c1)CC2 ZINC000295809529 434438942 /nfs/dbraw/zinc/43/89/42/434438942.db2.gz CRCUZYHBXWSSBL-INIZCTEOSA-N 1 0 309.413 3.165 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1O ZINC000367687360 434554835 /nfs/dbraw/zinc/55/48/35/434554835.db2.gz QJOVPEISUHOHCS-CABCVRRESA-N 1 0 305.418 3.039 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1OC ZINC000160383223 295004433 /nfs/dbraw/zinc/00/44/33/295004433.db2.gz IVZFWFNBTRBSSD-SUMWQHHRSA-N 1 0 323.458 3.269 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1 ZINC000273585111 295168331 /nfs/dbraw/zinc/16/83/31/295168331.db2.gz NNIAIAGTRDNOHR-UWVGGRQHSA-N 1 0 307.312 3.019 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000368653160 434579636 /nfs/dbraw/zinc/57/96/36/434579636.db2.gz QCJRPDPVRNILDF-UYHISHBKSA-N 1 0 305.418 3.257 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(N(C)C)cc1 ZINC000370670002 434615961 /nfs/dbraw/zinc/61/59/61/434615961.db2.gz UPENJIGDRSYCHO-OAHLLOKOSA-N 1 0 321.428 3.184 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000369869212 434603948 /nfs/dbraw/zinc/60/39/48/434603948.db2.gz YIGWPHJJGANIHX-QGZVFWFLSA-N 1 0 300.446 3.145 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000369869211 434604313 /nfs/dbraw/zinc/60/43/13/434604313.db2.gz YIGWPHJJGANIHX-KRWDZBQOSA-N 1 0 300.446 3.145 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc2c(cc1O)CCCC2 ZINC000370397824 434611142 /nfs/dbraw/zinc/61/11/42/434611142.db2.gz OHHSYNIFKDYKCA-LRDDRELGSA-N 1 0 311.429 3.202 20 10 DGCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372433485 434826799 /nfs/dbraw/zinc/82/67/99/434826799.db2.gz JFYJZFNIIRALJH-LBPRGKRZSA-N 1 0 305.809 3.159 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000569462190 332094062 /nfs/dbraw/zinc/09/40/62/332094062.db2.gz XSFXNHQCEJTQQL-KRWDZBQOSA-N 1 0 310.445 3.498 20 10 DGCDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185177519 333204898 /nfs/dbraw/zinc/20/48/98/333204898.db2.gz MKFJFPADVPHCFG-AWEZNQCLSA-N 1 0 312.413 3.301 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187731367 333236753 /nfs/dbraw/zinc/23/67/53/333236753.db2.gz JWSPEMQYXZNBMM-TZMCWYRMSA-N 1 0 321.367 3.487 20 10 DGCDRO C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000183491136 533845248 /nfs/dbraw/zinc/84/52/48/533845248.db2.gz JFZPBACBMRFGBD-ZDUSSCGKSA-N 1 0 308.422 3.300 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000184695827 533952923 /nfs/dbraw/zinc/95/29/23/533952923.db2.gz RYDHCBMZDNAAAC-BXUZGUMPSA-N 1 0 311.809 3.055 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c(O)c1 ZINC000193503722 534226589 /nfs/dbraw/zinc/22/65/89/534226589.db2.gz FTOANGTWHQKDBA-QWHCGFSZSA-N 1 0 316.367 3.235 20 10 DGCDRO CC(C)=CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158079610 519400411 /nfs/dbraw/zinc/40/04/11/519400411.db2.gz BDSCAHXYDSHPPT-HNNXBMFYSA-N 1 0 322.836 3.092 20 10 DGCDRO CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000190698328 519633366 /nfs/dbraw/zinc/63/33/66/519633366.db2.gz BPILSVYTMWYCAJ-UHFFFAOYSA-N 1 0 312.461 3.282 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCc2cnn(C)c2)cc1 ZINC000158234544 520287812 /nfs/dbraw/zinc/28/78/12/520287812.db2.gz CCQPHBUDTXKAAI-HNNXBMFYSA-N 1 0 300.450 3.160 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000156961606 520463810 /nfs/dbraw/zinc/46/38/10/520463810.db2.gz GRBNJQAFNRVGPO-HNNXBMFYSA-N 1 0 305.466 3.052 20 10 DGCDRO CCN(CC)[C@@H](C[NH2+]Cc1cc(F)ccc1O)c1ccco1 ZINC000180542102 520838063 /nfs/dbraw/zinc/83/80/63/520838063.db2.gz YRVHKICMUIEWKS-HNNXBMFYSA-N 1 0 306.381 3.297 20 10 DGCDRO CCN(CC)[C@@H](C[NH2+]Cc1cccc(OC)c1O)c1ccco1 ZINC000236849231 520839608 /nfs/dbraw/zinc/83/96/08/520839608.db2.gz IPNCUPIGKDFUHU-HNNXBMFYSA-N 1 0 318.417 3.167 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000236732286 521687903 /nfs/dbraw/zinc/68/79/03/521687903.db2.gz HXDBBHKQTRNJGP-QGZVFWFLSA-N 1 0 312.413 3.221 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1nccs1 ZINC000157073855 521690885 /nfs/dbraw/zinc/69/08/85/521690885.db2.gz PKQBNTTXSDQDNS-GFCCVEGCSA-N 1 0 319.430 3.088 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)C[C@H](C)c2nccs2)cc1OC ZINC000182849198 522769854 /nfs/dbraw/zinc/76/98/54/522769854.db2.gz AZYLFABWXKRSIU-NSHDSACASA-N 1 0 322.430 3.101 20 10 DGCDRO Cn1cc(CC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000265855232 522984959 /nfs/dbraw/zinc/98/49/59/522984959.db2.gz QSINOEWOAWVTAV-UHFFFAOYSA-N 1 0 312.461 3.085 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)cc1C ZINC000267168877 524074419 /nfs/dbraw/zinc/07/44/19/524074419.db2.gz HLMTUDGOTNCWJF-UGSOOPFHSA-N 1 0 303.377 3.354 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1O ZINC000191673359 524389900 /nfs/dbraw/zinc/38/99/00/524389900.db2.gz JSNBHZXZOHRXRL-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c1O ZINC000180082981 524400242 /nfs/dbraw/zinc/40/02/42/524400242.db2.gz JQPHDCMVZUUUGN-UHFFFAOYSA-N 1 0 323.396 3.164 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000363835151 524403574 /nfs/dbraw/zinc/40/35/74/524403574.db2.gz XWVODSGHDHNQEY-UHFFFAOYSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000182894578 524762982 /nfs/dbraw/zinc/76/29/82/524762982.db2.gz NAOABWBHZXUEAA-GDBMZVCRSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c1 ZINC000182466235 524771375 /nfs/dbraw/zinc/77/13/75/524771375.db2.gz VEPQYZREZHKTIR-SCLBCKFNSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1 ZINC000182392171 524771776 /nfs/dbraw/zinc/77/17/76/524771776.db2.gz DMFRLUNHPCCALU-IFXJQAMLSA-N 1 0 315.413 3.402 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)cc1C ZINC000267251118 525324122 /nfs/dbraw/zinc/32/41/22/525324122.db2.gz ZLEKLLVGRZDITA-FZKQIMNGSA-N 1 0 303.377 3.360 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124808829 525381960 /nfs/dbraw/zinc/38/19/60/525381960.db2.gz GVEPEFQCIVNYJL-SCLBCKFNSA-N 1 0 302.393 3.276 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000189311819 525398993 /nfs/dbraw/zinc/39/89/93/525398993.db2.gz AAANIIBVOSMLOT-FCEWJHQRSA-N 1 0 302.462 3.489 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000128673498 525427750 /nfs/dbraw/zinc/42/77/50/525427750.db2.gz VEODAPRERQCGRL-OAHLLOKOSA-N 1 0 317.477 3.242 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000189000292 525589716 /nfs/dbraw/zinc/58/97/16/525589716.db2.gz BDENFTURTNEEPZ-CVEARBPZSA-N 1 0 317.477 3.194 20 10 DGCDRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151033026 525692506 /nfs/dbraw/zinc/69/25/06/525692506.db2.gz GBHMJMCDIFIPHM-STQMWFEESA-N 1 0 312.454 3.064 20 10 DGCDRO C[C@H](O)CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183082093 525721915 /nfs/dbraw/zinc/72/19/15/525721915.db2.gz NQFZEFCBSZBIIP-HNNXBMFYSA-N 1 0 315.413 3.174 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c(O)c1 ZINC000185027046 525920243 /nfs/dbraw/zinc/92/02/43/525920243.db2.gz OFIXTASAKOLDJF-LBPRGKRZSA-N 1 0 304.356 3.235 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c(O)c1 ZINC000186190034 525922341 /nfs/dbraw/zinc/92/23/41/525922341.db2.gz OEWXSSDMQOSDGD-SCLBCKFNSA-N 1 0 303.377 3.398 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000180363377 526327685 /nfs/dbraw/zinc/32/76/85/526327685.db2.gz GYZIBCBBCWZYOV-HNNXBMFYSA-N 1 0 308.853 3.496 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)CC1 ZINC000238171758 527528802 /nfs/dbraw/zinc/52/88/02/527528802.db2.gz GGXBBDNBIOBFKB-KRWDZBQOSA-N 1 0 314.473 3.341 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1O ZINC000183312564 529203064 /nfs/dbraw/zinc/20/30/64/529203064.db2.gz PTHJQGAVALXIJF-IAGOWNOFSA-N 1 0 310.397 3.238 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCc2cnccn2)cc1F ZINC000272716298 535683981 /nfs/dbraw/zinc/68/39/81/535683981.db2.gz DMCSTAPGJVVJTO-UHFFFAOYSA-N 1 0 316.424 3.136 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1[N+](=O)[O-] ZINC000273566064 536896494 /nfs/dbraw/zinc/89/64/94/536896494.db2.gz JOZAGZOXHXBENL-LBPRGKRZSA-N 1 0 316.357 3.468 20 10 DGCDRO CC(C)[N@H+](CCOC[C@H]1CCCO1)Cc1ccc(N(C)C)cc1 ZINC000741389292 574539366 /nfs/dbraw/zinc/53/93/66/574539366.db2.gz ZDSLFQKQNOPYDU-LJQANCHMSA-N 1 0 320.477 3.159 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000731284234 574546441 /nfs/dbraw/zinc/54/64/41/574546441.db2.gz NHVKZMKMWSBSEY-OAHLLOKOSA-N 1 0 321.465 3.044 20 10 DGCDRO CC(C)[C@@H](C)NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848081 574560425 /nfs/dbraw/zinc/56/04/25/574560425.db2.gz QTSWZTRWMVFWDG-OAHLLOKOSA-N 1 0 318.461 3.298 20 10 DGCDRO CC[C@@H](C)NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000732205010 574568101 /nfs/dbraw/zinc/56/81/01/574568101.db2.gz XFZXACCCHHWHHW-CQSZACIVSA-N 1 0 304.434 3.052 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CC2(C)C)c1O ZINC000732821187 574583759 /nfs/dbraw/zinc/58/37/59/574583759.db2.gz WGQMUHDVIFIZPS-SNVBAGLBSA-N 1 0 314.223 3.299 20 10 DGCDRO COc1cccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000733029699 574592303 /nfs/dbraw/zinc/59/23/03/574592303.db2.gz KKBIZFQCIYPUFE-UHFFFAOYSA-N 1 0 311.429 3.321 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCN2CCc3ccccc32)cc1F ZINC000733325635 574615799 /nfs/dbraw/zinc/61/57/99/574615799.db2.gz OKUDUICJTUZDBN-UHFFFAOYSA-N 1 0 313.420 3.044 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000733324860 574615958 /nfs/dbraw/zinc/61/59/58/574615958.db2.gz HKOBBXPHIAMUTF-CYBMUJFWSA-N 1 0 303.324 3.244 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN(CC)C2CC2)cc1F ZINC000740004735 574917935 /nfs/dbraw/zinc/91/79/35/574917935.db2.gz UREHMWCFCGFTIJ-UHFFFAOYSA-N 1 0 307.457 3.246 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCCn2ccnc2C)cc1F ZINC000740004224 574918016 /nfs/dbraw/zinc/91/80/16/574918016.db2.gz KFDVRDOWOGBCQA-UHFFFAOYSA-N 1 0 318.440 3.357 20 10 DGCDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000741255196 574954445 /nfs/dbraw/zinc/95/44/45/574954445.db2.gz LMUHUFWCTWSYTC-UHFFFAOYSA-N 1 0 313.397 3.491 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c(O)c1 ZINC000742376740 574994034 /nfs/dbraw/zinc/99/40/34/574994034.db2.gz FJLRSSBCZRIORU-DJIMGWMZSA-N 1 0 305.418 3.084 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3scnc3C)CC2)cc1 ZINC000742369774 574993018 /nfs/dbraw/zinc/99/30/18/574993018.db2.gz RNHRFHHKYNVPGO-UHFFFAOYSA-N 1 0 317.458 3.219 20 10 DGCDRO C[C@H]1Cc2ccccc2N1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000742709376 575014056 /nfs/dbraw/zinc/01/40/56/575014056.db2.gz KKYZBMSTDSEUBD-HNNXBMFYSA-N 1 0 308.425 3.162 20 10 DGCDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000742722976 575014853 /nfs/dbraw/zinc/01/48/53/575014853.db2.gz DJOBWZNWAMSTOM-INIZCTEOSA-N 1 0 310.445 3.188 20 10 DGCDRO Fc1cc(C[NH2+]CCCC(F)(F)F)ccc1N1CCOCC1 ZINC000743495390 575054549 /nfs/dbraw/zinc/05/45/49/575054549.db2.gz FCMDNDYKXOSBBO-UHFFFAOYSA-N 1 0 320.330 3.094 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cn2nccc2-c2cccnc2)cc1 ZINC000745436437 575395919 /nfs/dbraw/zinc/39/59/19/575395919.db2.gz BZVCMBSLDAOZOE-UHFFFAOYSA-N 1 0 321.428 3.101 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(F)n2)cc1F ZINC000747934450 575552119 /nfs/dbraw/zinc/55/21/19/575552119.db2.gz BJMFXGYWSVBAQL-UHFFFAOYSA-N 1 0 305.372 3.496 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c(O)c1 ZINC000748246809 575575281 /nfs/dbraw/zinc/57/52/81/575575281.db2.gz PRUNIMSUGWCFEW-KRWDZBQOSA-N 1 0 317.433 3.401 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](O)c1cccc(F)c1 ZINC000749116834 575628244 /nfs/dbraw/zinc/62/82/44/575628244.db2.gz MAEMWPQHFVDUOT-QFYYESIMSA-N 1 0 309.768 3.396 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc([S@](C)=O)cc2)cc1C ZINC000751151891 575772073 /nfs/dbraw/zinc/77/20/73/575772073.db2.gz HULMTVKGVPQETB-NRFANRHFSA-N 1 0 303.427 3.036 20 10 DGCDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000751605006 575793000 /nfs/dbraw/zinc/79/30/00/575793000.db2.gz NTJJEGMGRFCIRP-XJKSGUPXSA-N 1 0 311.381 3.499 20 10 DGCDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000725846643 575928707 /nfs/dbraw/zinc/92/87/07/575928707.db2.gz JYQFXKKEDPUDRS-ZWNOBZJWSA-N 1 0 301.342 3.127 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000727644409 576135357 /nfs/dbraw/zinc/13/53/57/576135357.db2.gz DEIVBBQIGBWAEV-HXUWFJFHSA-N 1 0 310.441 3.201 20 10 DGCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)c3ccccc3F)ccc21 ZINC000727644189 576135692 /nfs/dbraw/zinc/13/56/92/576135692.db2.gz RLWFFUKRQBWVOM-IBGZPJMESA-N 1 0 314.404 3.031 20 10 DGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000727644407 576135782 /nfs/dbraw/zinc/13/57/82/576135782.db2.gz DEIVBBQIGBWAEV-FQEVSTJZSA-N 1 0 310.441 3.201 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC3(COC3)C2)ccc1N1CCCCC1 ZINC000852682975 620640820 /nfs/dbraw/zinc/64/08/20/620640820.db2.gz DJNOBJVREWCFLN-UHFFFAOYSA-N 1 0 300.446 3.208 20 10 DGCDRO CC1(C)CN(C(=O)C=C2CC[NH2+]CC2)c2cccc(Cl)c21 ZINC000852826144 620650968 /nfs/dbraw/zinc/65/09/68/620650968.db2.gz QSYMQINQNWTPFB-UHFFFAOYSA-N 1 0 304.821 3.274 20 10 DGCDRO O=C(C=C1CC[NH2+]CC1)N1CC2(CCCC2)c2c1cccc2F ZINC000852828868 620650982 /nfs/dbraw/zinc/65/09/82/620650982.db2.gz UCGFJMCZJJSYCV-UHFFFAOYSA-N 1 0 314.404 3.294 20 10 DGCDRO Cc1cc(C(=O)N(C)CC(C)(C)[NH3+])c(C)n1-c1cccc(C)c1 ZINC000852841636 620651814 /nfs/dbraw/zinc/65/18/14/620651814.db2.gz IAHLHWKORCCKDW-UHFFFAOYSA-N 1 0 313.445 3.212 20 10 DGCDRO CCc1cc(C[N@H+](C)C[C@H]2COCCO2)c(O)c(C(C)(C)C)c1 ZINC000853558966 620709698 /nfs/dbraw/zinc/70/96/98/620709698.db2.gz LKYYVPQGSNHBBD-INIZCTEOSA-N 1 0 321.461 3.099 20 10 DGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(c2ccon2)CC1 ZINC000853592638 620713266 /nfs/dbraw/zinc/71/32/66/620713266.db2.gz ZOPWIGKBVQMCIF-UHFFFAOYSA-N 1 0 309.369 3.308 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(O)cc1C ZINC000853572424 620710988 /nfs/dbraw/zinc/71/09/88/620710988.db2.gz SDCHRPUMBKFPTG-MAUKXSAKSA-N 1 0 319.445 3.490 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1CC1CCC1)[C@H](O)CO2 ZINC000853607794 620715668 /nfs/dbraw/zinc/71/56/68/620715668.db2.gz VXOSWQMKGYYXAY-MAUKXSAKSA-N 1 0 317.429 3.363 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@](C)(C(F)F)O1 ZINC000853631458 620717765 /nfs/dbraw/zinc/71/77/65/620717765.db2.gz WKNAWZDCUWSWLA-PIGZYNQJSA-N 1 0 322.355 3.185 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccns3)C2)cc1 ZINC000926679414 618085296 /nfs/dbraw/zinc/08/52/96/618085296.db2.gz DYKGPTOPASQCAB-QWHCGFSZSA-N 1 0 303.431 3.081 20 10 DGCDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000806132961 617669186 /nfs/dbraw/zinc/66/91/86/617669186.db2.gz DNEYRTOWOXCZOP-HKUYNNGSSA-N 1 0 302.462 3.174 20 10 DGCDRO COc1ccc(C[N@H+](Cc2ccc(C)o2)C2CC2)c(O)c1OC ZINC000891594683 617846669 /nfs/dbraw/zinc/84/66/69/617846669.db2.gz NYXBZSAKIPKTCT-UHFFFAOYSA-N 1 0 317.385 3.475 20 10 DGCDRO COc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)c(O)c1OC ZINC000892035959 617948741 /nfs/dbraw/zinc/94/87/41/617948741.db2.gz GIJICUZZSFCDJW-UHFFFAOYSA-N 1 0 317.360 3.107 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3c(C)noc3C)C2)cc1 ZINC000926680212 618086056 /nfs/dbraw/zinc/08/60/56/618086056.db2.gz KZWOGJUJYHFODS-SWLSCSKDSA-N 1 0 315.417 3.230 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCCc3occc32)c(O)c1OC ZINC000892552189 618106830 /nfs/dbraw/zinc/10/68/30/618106830.db2.gz SODSAHSEFYWACA-ZDUSSCGKSA-N 1 0 303.358 3.170 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(N(C)C)cc1 ZINC000840886900 618131199 /nfs/dbraw/zinc/13/11/99/618131199.db2.gz CLJDGNWJBZUWQS-XHSDSOJGSA-N 1 0 312.404 3.342 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccccc1O ZINC000854225181 620785674 /nfs/dbraw/zinc/78/56/74/620785674.db2.gz YAGFIJNOUIIPDW-MORSLUCNSA-N 1 0 314.404 3.328 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cccc(C)c2)c(O)c1OC ZINC000892809922 618315446 /nfs/dbraw/zinc/31/54/46/618315446.db2.gz RCTOMDLXPSGCRT-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000840894048 618323606 /nfs/dbraw/zinc/32/36/06/618323606.db2.gz OUCXIKUCRYOHJM-HZPDHXFCSA-N 1 0 312.461 3.003 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000840894052 618324011 /nfs/dbraw/zinc/32/40/11/618324011.db2.gz OUCXIKUCRYOHJM-JKSUJKDBSA-N 1 0 312.461 3.003 20 10 DGCDRO Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)nn1C ZINC000840894156 618325674 /nfs/dbraw/zinc/32/56/74/618325674.db2.gz PMRBZZJMHGIMHV-GDBMZVCRSA-N 1 0 314.477 3.385 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3C)c(O)c1OC ZINC000892919627 618351432 /nfs/dbraw/zinc/35/14/32/618351432.db2.gz BNTRQAIMSAVABX-INIZCTEOSA-N 1 0 313.397 3.495 20 10 DGCDRO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccc4c(c1)CCCO4)(C3)C2 ZINC000894516036 618368313 /nfs/dbraw/zinc/36/83/13/618368313.db2.gz YMEJKMIRGFHGSY-BANKROOTSA-N 1 0 313.441 3.185 20 10 DGCDRO CC(C)c1c[nH]c(C[NH2+]Cc2cccc(Br)c2[O-])n1 ZINC000894571391 618389138 /nfs/dbraw/zinc/38/91/38/618389138.db2.gz PYWYILIYNOETIV-UHFFFAOYSA-N 1 0 324.222 3.291 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccccc2OCC(F)F)c(O)c1 ZINC000894634200 618407861 /nfs/dbraw/zinc/40/78/61/618407861.db2.gz CZYTXRLJVXGNSB-UHFFFAOYSA-N 1 0 323.339 3.335 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc3onc(C)c3c2)c1 ZINC000894782197 618457472 /nfs/dbraw/zinc/45/74/72/618457472.db2.gz JZHKYYSTGWDCNL-JTQLQIEISA-N 1 0 313.357 3.096 20 10 DGCDRO Oc1c(C[NH2+]CCO[C@H]2CCCCO2)ccc2ccccc21 ZINC000894796406 618459397 /nfs/dbraw/zinc/45/93/97/618459397.db2.gz IGZGASXYRHPWGL-KRWDZBQOSA-N 1 0 301.386 3.178 20 10 DGCDRO COc1ccc(C[N@@H+]2CCSC3(CCC3)CC2)c(O)c1OC ZINC000894890388 618489101 /nfs/dbraw/zinc/48/91/01/618489101.db2.gz UIJWEQOQYPOIKV-UHFFFAOYSA-N 1 0 323.458 3.271 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000894898707 618492796 /nfs/dbraw/zinc/49/27/96/618492796.db2.gz IJLLWLBLAZDWNE-GOEBONIOSA-N 1 0 307.434 3.250 20 10 DGCDRO CC[N@H+](Cc1occc1C)Cc1ccc(OC)c(OC)c1O ZINC000894922877 618500039 /nfs/dbraw/zinc/50/00/39/618500039.db2.gz AOVXKVPKXXSMRL-UHFFFAOYSA-N 1 0 305.374 3.333 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000840902638 618503021 /nfs/dbraw/zinc/50/30/21/618503021.db2.gz HKXBLOARPMXDGB-NRFANRHFSA-N 1 0 323.845 3.381 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c(Cl)c1 ZINC000840902640 618503092 /nfs/dbraw/zinc/50/30/92/618503092.db2.gz HKXBLOARPMXDGB-OAQYLSRUSA-N 1 0 323.845 3.381 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c(O)c1OC ZINC000895009397 618509633 /nfs/dbraw/zinc/50/96/33/618509633.db2.gz WOKJCNBIAQRHSZ-CRAIPNDOSA-N 1 0 317.360 3.136 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)n1 ZINC000925104390 618521766 /nfs/dbraw/zinc/52/17/66/618521766.db2.gz YLNDYRIKHCBPMX-KGLIPLIRSA-N 1 0 312.504 3.420 20 10 DGCDRO Cc1cccc([C@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840909310 618522633 /nfs/dbraw/zinc/52/26/33/618522633.db2.gz QACOILFXEDEGKQ-QGZVFWFLSA-N 1 0 305.805 3.486 20 10 DGCDRO Cc1ccc(O)c(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895112934 618541234 /nfs/dbraw/zinc/54/12/34/618541234.db2.gz ZECZQESSFUOCEY-QAQDUYKDSA-N 1 0 311.429 3.372 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1O ZINC000895133506 618547045 /nfs/dbraw/zinc/54/70/45/618547045.db2.gz KRPXGMZBAPTOJL-SJCJKPOMSA-N 1 0 319.376 3.060 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2SC)c(O)c1OC ZINC000895141801 618551196 /nfs/dbraw/zinc/55/11/96/618551196.db2.gz MBEDAVDARWRFAK-TZMCWYRMSA-N 1 0 311.447 3.173 20 10 DGCDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c(O)c1OC ZINC000893497352 618573931 /nfs/dbraw/zinc/57/39/31/618573931.db2.gz ISSMPSIUICIPKO-CFVMTHIKSA-N 1 0 305.418 3.420 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](SC)C(C)(C)C)c(O)c1OC ZINC000893517715 618580688 /nfs/dbraw/zinc/58/06/88/618580688.db2.gz BPJDYOPGCKZARL-ZDUSSCGKSA-N 1 0 313.463 3.277 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1C ZINC000895351643 618600726 /nfs/dbraw/zinc/60/07/26/618600726.db2.gz JBNNGNCSVNEKBJ-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000840934764 618609848 /nfs/dbraw/zinc/60/98/48/618609848.db2.gz XCGBHNBXCRDVMF-LIRRHRJNSA-N 1 0 316.420 3.412 20 10 DGCDRO Cc1cc(O)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000840946989 618619848 /nfs/dbraw/zinc/61/98/48/618619848.db2.gz JDJAVQCIGUXCPQ-PBWFPOADSA-N 1 0 308.853 3.411 20 10 DGCDRO CCCn1cc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840977510 618653246 /nfs/dbraw/zinc/65/32/46/618653246.db2.gz UZLAHDPVRYGWQC-INIZCTEOSA-N 1 0 314.477 3.388 20 10 DGCDRO COc1ccc(C[NH2+]C(C)(C)CC(F)(F)F)c(O)c1OC ZINC000893875262 618669891 /nfs/dbraw/zinc/66/98/91/618669891.db2.gz REANHJSKSJYYQV-UHFFFAOYSA-N 1 0 307.312 3.230 20 10 DGCDRO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(C)cc(OC)c1O ZINC000894067614 618703345 /nfs/dbraw/zinc/70/33/45/618703345.db2.gz MDGZKOMDEZQWEN-UHFFFAOYSA-N 1 0 319.401 3.259 20 10 DGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894077890 618706563 /nfs/dbraw/zinc/70/65/63/618706563.db2.gz WRJQTYCWKKOHRZ-GOSISDBHSA-N 1 0 323.433 3.191 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCOc2ccc(F)cc2)c1O ZINC000894165385 618722447 /nfs/dbraw/zinc/72/24/47/618722447.db2.gz QDQUPZRWWRPWCQ-UHFFFAOYSA-N 1 0 305.349 3.017 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C)nc3c2CCCC3)c(O)c1 ZINC000894185552 618725955 /nfs/dbraw/zinc/72/59/55/618725955.db2.gz PXTKNJZUXDCVHX-UHFFFAOYSA-N 1 0 312.413 3.273 20 10 DGCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cs1 ZINC000894209741 618730632 /nfs/dbraw/zinc/73/06/32/618730632.db2.gz VICSMYKECVPOOX-UHFFFAOYSA-N 1 0 322.405 3.030 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCOc2ccc(F)cc2F)c1O ZINC000894235416 618735600 /nfs/dbraw/zinc/73/56/00/618735600.db2.gz BODZVMIVRYOBAZ-UHFFFAOYSA-N 1 0 323.339 3.156 20 10 DGCDRO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925009176 618763152 /nfs/dbraw/zinc/76/31/52/618763152.db2.gz ARLXDZSCJQWSHG-SFHVURJKSA-N 1 0 318.461 3.164 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894320707 618763916 /nfs/dbraw/zinc/76/39/16/618763916.db2.gz OJRJFRGCEVGJFN-QGZVFWFLSA-N 1 0 315.413 3.057 20 10 DGCDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894343453 618768329 /nfs/dbraw/zinc/76/83/29/618768329.db2.gz XXWDEPYSVFMMCW-MRXNPFEDSA-N 1 0 313.397 3.495 20 10 DGCDRO CCCCn1cc(C[NH2+]Cc2cc(C)cc(OC)c2O)c(C)n1 ZINC000894373351 618773603 /nfs/dbraw/zinc/77/36/03/618773603.db2.gz SVSZLEGIJMYODY-UHFFFAOYSA-N 1 0 317.433 3.304 20 10 DGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC1CSC1 ZINC000895421278 618783280 /nfs/dbraw/zinc/78/32/80/618783280.db2.gz COTJBTGKWILYIJ-UHFFFAOYSA-N 1 0 315.438 3.424 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1O ZINC000895453367 618785174 /nfs/dbraw/zinc/78/51/74/618785174.db2.gz BZPGGTRAJAKNLZ-RHSMWYFYSA-N 1 0 305.418 3.004 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1C ZINC000895468653 618788707 /nfs/dbraw/zinc/78/87/07/618788707.db2.gz ZEGLUNATHLWUKZ-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1ccc(C[NH+]2CC(Cc3ccsc3)C2)c(O)c1OC ZINC000895516646 618793953 /nfs/dbraw/zinc/79/39/53/618793953.db2.gz VVLNFNIIBVANKD-UHFFFAOYSA-N 1 0 319.426 3.145 20 10 DGCDRO COc1ccc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(O)c1OC ZINC000895551238 618797895 /nfs/dbraw/zinc/79/78/95/618797895.db2.gz UMEKAPNGBOYXBV-PHIMTYICSA-N 1 0 315.360 3.133 20 10 DGCDRO CC(C)[C@@H](CNC(=O)Nc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000841301838 618802702 /nfs/dbraw/zinc/80/27/02/618802702.db2.gz FNOGARGOHOOLNY-QGZVFWFLSA-N 1 0 318.465 3.147 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c1 ZINC000895658136 618813043 /nfs/dbraw/zinc/81/30/43/618813043.db2.gz HSUOQIBAYCGUOI-KRWDZBQOSA-N 1 0 301.386 3.003 20 10 DGCDRO CCC1([NH+]2CCC2)CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000895827905 618834337 /nfs/dbraw/zinc/83/43/37/618834337.db2.gz OPJIRKFTRUOZGW-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000895842613 618837789 /nfs/dbraw/zinc/83/77/89/618837789.db2.gz ICZHRNQUDZEYTO-VAIVQVOGSA-N 1 0 300.446 3.267 20 10 DGCDRO COCC1C[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000895969533 618856174 /nfs/dbraw/zinc/85/61/74/618856174.db2.gz GUSFSEJJJRCYEW-UHFFFAOYSA-N 1 0 322.452 3.328 20 10 DGCDRO COC1(OC)CC2(C[N@H+](Cc3cc(F)ccc3O)[C@H]2C(C)C)C1 ZINC000895988486 618858097 /nfs/dbraw/zinc/85/80/97/618858097.db2.gz CJDZMVNKMDOFTL-INIZCTEOSA-N 1 0 323.408 3.141 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c1O ZINC000896450995 618912961 /nfs/dbraw/zinc/91/29/61/618912961.db2.gz ANFLKEYCSFIFEC-KESTWPANSA-N 1 0 311.425 3.137 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896534110 618926265 /nfs/dbraw/zinc/92/62/65/618926265.db2.gz GKPGNWAYFATMMP-GFCCVEGCSA-N 1 0 306.406 3.443 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000896811962 618963155 /nfs/dbraw/zinc/96/31/55/618963155.db2.gz QRKHRAJLMNJILW-WCQYABFASA-N 1 0 307.287 3.121 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000896861088 618971634 /nfs/dbraw/zinc/97/16/34/618971634.db2.gz ZTGFDVDGQATADV-WCBMZHEXSA-N 1 0 324.140 3.443 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(F)(C3CC3)CC2)cc1OC ZINC000896945231 618991339 /nfs/dbraw/zinc/99/13/39/618991339.db2.gz AXLXHAJHRNGEKN-UHFFFAOYSA-N 1 0 309.381 3.124 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1O ZINC000897081086 619012305 /nfs/dbraw/zinc/01/23/05/619012305.db2.gz JKRFXSJSIIGZBQ-RHSMWYFYSA-N 1 0 305.418 3.004 20 10 DGCDRO Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000897224347 619031963 /nfs/dbraw/zinc/03/19/63/619031963.db2.gz OTOZFJFQIKYONY-UHFFFAOYSA-N 1 0 307.397 3.446 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@H]1C ZINC000840717709 619037491 /nfs/dbraw/zinc/03/74/91/619037491.db2.gz HYBOEFGWCZDRQX-SKDZVZGDSA-N 1 0 320.452 3.311 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCc2c(F)cc(O)cc2F)c1O ZINC000897305128 619050221 /nfs/dbraw/zinc/05/02/21/619050221.db2.gz ODRFWLYKAMZKOD-UHFFFAOYSA-N 1 0 323.339 3.025 20 10 DGCDRO CCn1cnc2c1CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000897337128 619062840 /nfs/dbraw/zinc/06/28/40/619062840.db2.gz WDPXDLSDZOBTNI-UHFFFAOYSA-N 1 0 307.397 3.320 20 10 DGCDRO COc1cccc(C[N@H+](C)CCOc2cccc(C)c2)c1O ZINC000121547896 619063311 /nfs/dbraw/zinc/06/33/11/619063311.db2.gz UVXRLUZRMMOSLL-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000897358146 619080620 /nfs/dbraw/zinc/08/06/20/619080620.db2.gz ZQNCNHROCPBUFE-TYKWCNGQSA-N 1 0 324.468 3.243 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](c2cccs2)N(C)C)cc1C ZINC000035052640 619095372 /nfs/dbraw/zinc/09/53/72/619095372.db2.gz DHTCWNJMXSRZTN-OAHLLOKOSA-N 1 0 304.459 3.458 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c1O ZINC000897507927 619140976 /nfs/dbraw/zinc/14/09/76/619140976.db2.gz HRKCJSJCGFYTRM-KBPBESRZSA-N 1 0 311.809 3.101 20 10 DGCDRO CN(C)c1ccc([C@H](CNc2ncccc2F)[NH+](C)C)cc1 ZINC000897525085 619148450 /nfs/dbraw/zinc/14/84/50/619148450.db2.gz JUEXUNHHSQGJEC-INIZCTEOSA-N 1 0 302.397 3.002 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCOC23CCCCC3)c1 ZINC000897728943 619175292 /nfs/dbraw/zinc/17/52/92/619175292.db2.gz QYWFWOXWAGYYLG-KRWDZBQOSA-N 1 0 305.418 3.372 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCSC(C)(C)C2)cc1OC ZINC000897798657 619183529 /nfs/dbraw/zinc/18/35/29/619183529.db2.gz YUXNTIGNOVYKHT-GFCCVEGCSA-N 1 0 311.447 3.173 20 10 DGCDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(Br)ccc1O ZINC000897969117 619200549 /nfs/dbraw/zinc/20/05/49/619200549.db2.gz FFJJLYUTNAFHNX-NSHDSACASA-N 1 0 321.218 3.271 20 10 DGCDRO Nc1ccc(CC[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000841036980 619201578 /nfs/dbraw/zinc/20/15/78/619201578.db2.gz XSCQAQIMYSCPKA-UHFFFAOYSA-N 1 0 302.805 3.189 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H]2CCC(F)(F)C2)c(O)c1OC ZINC000898013805 619205552 /nfs/dbraw/zinc/20/55/52/619205552.db2.gz IMUAWPBMVMRLBD-LLVKDONJSA-N 1 0 315.360 3.325 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000898166016 619219787 /nfs/dbraw/zinc/21/97/87/619219787.db2.gz WSLLRHZEMXAVRN-UONOGXRCSA-N 1 0 321.417 3.001 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cnn(CC2CCC2)c1 ZINC000898179063 619223095 /nfs/dbraw/zinc/22/30/95/619223095.db2.gz GZDKBEWEAIOPMO-GFCCVEGCSA-N 1 0 303.381 3.379 20 10 DGCDRO CN(C)c1ccc(/C=C\CNCC2([NH3+])CCCCCC2)cc1 ZINC000841041754 619243162 /nfs/dbraw/zinc/24/31/62/619243162.db2.gz ADCIGGQTCNAZMV-FPLPWBNLSA-N 1 0 301.478 3.407 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(F)ccc1O ZINC000926962120 619252988 /nfs/dbraw/zinc/25/29/88/619252988.db2.gz KBTWZBKQNRCCMO-RNCFNFMXSA-N 1 0 308.319 3.065 20 10 DGCDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000927097492 619265153 /nfs/dbraw/zinc/26/51/53/619265153.db2.gz QSGZVNIGIJLHBM-WMZOPIPTSA-N 1 0 320.477 3.092 20 10 DGCDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000927097491 619265252 /nfs/dbraw/zinc/26/52/52/619265252.db2.gz QSGZVNIGIJLHBM-SJLPKXTDSA-N 1 0 320.477 3.092 20 10 DGCDRO Cc1ccc(O)c(CNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000899134430 619313231 /nfs/dbraw/zinc/31/32/31/619313231.db2.gz XBHUUJZJMPXDOZ-HKUYNNGSSA-N 1 0 324.424 3.010 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cccnc1 ZINC000901707346 619536557 /nfs/dbraw/zinc/53/65/57/619536557.db2.gz UXVHXHSYHNDSGZ-DNVCBOLYSA-N 1 0 312.461 3.101 20 10 DGCDRO C[C@H]([NH2+]Cc1csc(N)n1)c1cc2c(cc1O)CCCC2 ZINC000902500485 619643423 /nfs/dbraw/zinc/64/34/23/619643423.db2.gz WOUNIUOFCBOHTD-JTQLQIEISA-N 1 0 303.431 3.161 20 10 DGCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1nncn1C ZINC000903064508 619709257 /nfs/dbraw/zinc/70/92/57/619709257.db2.gz MZOLXSZXTZRGEO-IINYFYTJSA-N 1 0 308.813 3.222 20 10 DGCDRO CCN(C(=O)C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000903197277 619734489 /nfs/dbraw/zinc/73/44/89/619734489.db2.gz MNSLDRJJLNMCGQ-ZDUSSCGKSA-N 1 0 316.376 3.235 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(N(C)C)ccn2)c2c1c(F)ccc2O ZINC000903198072 619734842 /nfs/dbraw/zinc/73/48/42/619734842.db2.gz FDUZDJNGASSORG-XHDPSFHLSA-N 1 0 315.392 3.330 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)ncn3C)c1O ZINC000903202343 619736123 /nfs/dbraw/zinc/73/61/23/619736123.db2.gz ALAMHIRRHQPODD-LBPRGKRZSA-N 1 0 311.385 3.138 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1O ZINC000903214280 619739608 /nfs/dbraw/zinc/73/96/08/619739608.db2.gz UHJQQLLZGBKWMZ-UONOGXRCSA-N 1 0 312.413 3.064 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1O ZINC000903214279 619739718 /nfs/dbraw/zinc/73/97/18/619739718.db2.gz UHJQQLLZGBKWMZ-KGLIPLIRSA-N 1 0 312.413 3.064 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1ccccc1O ZINC000903271143 619749873 /nfs/dbraw/zinc/74/98/73/619749873.db2.gz JLWAOUQDGUZEES-ARFHVFGLSA-N 1 0 306.475 3.013 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000903271910 619750260 /nfs/dbraw/zinc/75/02/60/619750260.db2.gz QCPZVKQALNHNMU-WRWLIDTKSA-N 1 0 311.425 3.444 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN3CCSC[C@@H]23)c(O)c1C ZINC000903272492 619750337 /nfs/dbraw/zinc/75/03/37/619750337.db2.gz UYLOVKYGPWXETF-XIRDDKMYSA-N 1 0 320.502 3.239 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cc(F)ccc1O ZINC000903292868 619751942 /nfs/dbraw/zinc/75/19/42/619751942.db2.gz NAPDHLYOWOSLLT-CZUORRHYSA-N 1 0 303.377 3.176 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)CCc2ccccc2)c1O ZINC000903288129 619754444 /nfs/dbraw/zinc/75/44/44/619754444.db2.gz KHEZXIOEUCJHGB-HOCLYGCPSA-N 1 0 315.413 3.045 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cn(C)cn2)c1O ZINC000903352018 619763466 /nfs/dbraw/zinc/76/34/66/619763466.db2.gz PXVVHVIFFPXGJQ-SNVBAGLBSA-N 1 0 324.222 3.047 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(OC(C)C)CCOC2)c(O)c1C ZINC000903356356 619764441 /nfs/dbraw/zinc/76/44/41/619764441.db2.gz CAHGGJOTURQJPG-QAPCUYQASA-N 1 0 307.434 3.244 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1cc(Cl)ccc1O ZINC000903389744 619770716 /nfs/dbraw/zinc/77/07/16/619770716.db2.gz WMAUISKEPUMMON-ZIAGYGMSSA-N 1 0 310.825 3.097 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccns1 ZINC000903447677 619778040 /nfs/dbraw/zinc/77/80/40/619778040.db2.gz AUVHPNSFYRKLGF-XJKSGUPXSA-N 1 0 318.490 3.163 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000903447645 619778350 /nfs/dbraw/zinc/77/83/50/619778350.db2.gz ANPUCCRIBUPJOX-FMKPAKJESA-N 1 0 304.434 3.135 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1(Cl)CC1 ZINC000903449003 619778470 /nfs/dbraw/zinc/77/84/70/619778470.db2.gz VEJFYRUTGYKNGB-CZUORRHYSA-N 1 0 309.885 3.105 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000903450764 619778912 /nfs/dbraw/zinc/77/89/12/619778912.db2.gz MPIGQKMUOLJBMF-KFWWJZLASA-N 1 0 305.418 3.391 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416525 619921160 /nfs/dbraw/zinc/92/11/60/619921160.db2.gz NPSPZTIIOMWALC-AWEZNQCLSA-N 1 0 306.425 3.133 20 10 DGCDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000904460969 619923939 /nfs/dbraw/zinc/92/39/39/619923939.db2.gz CMTHBLYEXVKRLT-NHCUHLMSSA-N 1 0 321.468 3.391 20 10 DGCDRO [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000904458175 619923973 /nfs/dbraw/zinc/92/39/73/619923973.db2.gz CCRNRLDEHOJPKN-UHFFFAOYSA-N 1 0 314.404 3.024 20 10 DGCDRO [NH3+]Cc1ccccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000904665382 619941290 /nfs/dbraw/zinc/94/12/90/619941290.db2.gz NLJXJQJZXIJMAI-UHFFFAOYSA-N 1 0 324.428 3.067 20 10 DGCDRO CCC[C@@](C)([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000904930248 619961268 /nfs/dbraw/zinc/96/12/68/619961268.db2.gz HEZLJTMWRGAGDL-GOSISDBHSA-N 1 0 305.466 3.007 20 10 DGCDRO CC(C)C[N@H+](Cc1ccccn1)Cc1cc2c(cc1O)OCO2 ZINC000905745929 620025611 /nfs/dbraw/zinc/02/56/11/620025611.db2.gz QDOATLPYUMNTIQ-UHFFFAOYSA-N 1 0 314.385 3.174 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000841086251 620218579 /nfs/dbraw/zinc/21/85/79/620218579.db2.gz GPMAUTXMAXRQBB-UYAOXDASSA-N 1 0 315.505 3.497 20 10 DGCDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000152488115 620508915 /nfs/dbraw/zinc/50/89/15/620508915.db2.gz KSYNNPNXDZMXOH-HUUCEWRRSA-N 1 0 320.433 3.318 20 10 DGCDRO Cc1cc(C(=O)NC[C@H](C)[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000914880150 620559270 /nfs/dbraw/zinc/55/92/70/620559270.db2.gz VVRGFYCFKRADJA-HNNXBMFYSA-N 1 0 313.445 3.082 20 10 DGCDRO CCN(CC)[C@@H](C[NH2+]Cc1cc(C)ccc1O)c1ccco1 ZINC000113330261 620904406 /nfs/dbraw/zinc/90/44/06/620904406.db2.gz WPNBKWYDSWHMQK-INIZCTEOSA-N 1 0 302.418 3.466 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc1F ZINC000921622702 620916970 /nfs/dbraw/zinc/91/69/70/620916970.db2.gz GMLWMWJVPNIRHB-HRCADAONSA-N 1 0 306.425 3.187 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)ccc21 ZINC000921625299 620917668 /nfs/dbraw/zinc/91/76/68/620917668.db2.gz KIPMWMYCYBQSMA-QXAKKESOSA-N 1 0 314.473 3.364 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)ccc21 ZINC000921625297 620917818 /nfs/dbraw/zinc/91/78/18/620917818.db2.gz KIPMWMYCYBQSMA-BHIYHBOVSA-N 1 0 314.473 3.364 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921748567 620943932 /nfs/dbraw/zinc/94/39/32/620943932.db2.gz XZDJWVVQHINNEU-CGTJXYLNSA-N 1 0 302.462 3.356 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)n1 ZINC000921756592 620945364 /nfs/dbraw/zinc/94/53/64/620945364.db2.gz YWDULCOLUQDBQZ-HZSPNIEDSA-N 1 0 312.504 3.420 20 10 DGCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc3c(c2)CCCO3)c(C)o1 ZINC000921776311 620948326 /nfs/dbraw/zinc/94/83/26/620948326.db2.gz RYXLMWXUOLBURT-LJQANCHMSA-N 1 0 315.413 3.219 20 10 DGCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921947563 620972182 /nfs/dbraw/zinc/97/21/82/620972182.db2.gz RLFLUIPGXOYHTP-XJKSGUPXSA-N 1 0 301.386 3.206 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@H]1CCC13CCOCC3)CCCO2 ZINC000922317318 621023435 /nfs/dbraw/zinc/02/34/35/621023435.db2.gz YQPLZLFMWBCFDC-QGZVFWFLSA-N 1 0 301.430 3.308 20 10 DGCDRO O=c1[nH]c2c(cc1C[NH2+]Cc1ccc3c(c1)CCCO3)CCCC2 ZINC000922320907 621024097 /nfs/dbraw/zinc/02/40/97/621024097.db2.gz SRUBXNQQCNGOQA-UHFFFAOYSA-N 1 0 324.424 3.281 20 10 DGCDRO FC(F)(F)[C@@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)O1 ZINC000922454137 621038842 /nfs/dbraw/zinc/03/88/42/621038842.db2.gz BMSILUWDQYSCAC-HIFRSBDPSA-N 1 0 315.335 3.211 20 10 DGCDRO COc1cc(CC[NH2+]Cc2c(O)cccc2Cl)ccc1O ZINC000114770266 621044330 /nfs/dbraw/zinc/04/43/30/621044330.db2.gz DIXWAZQIKNDHBN-UHFFFAOYSA-N 1 0 307.777 3.092 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)cc1F ZINC000857061898 621053043 /nfs/dbraw/zinc/05/30/43/621053043.db2.gz WIQPMBMSOPGPBK-HOCLYGCPSA-N 1 0 308.441 3.122 20 10 DGCDRO CC(C)(/C=C\Cl)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922644084 621072218 /nfs/dbraw/zinc/07/22/18/621072218.db2.gz FYJGEFANYXOGFU-KTKRTIGZSA-N 1 0 308.853 3.268 20 10 DGCDRO FC(F)(F)[C@H]1CC[C@@H](CC[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000922679830 621080217 /nfs/dbraw/zinc/08/02/17/621080217.db2.gz RMSJWUKIORINBT-DZGCQCFKSA-N 1 0 315.335 3.211 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000922693776 621080810 /nfs/dbraw/zinc/08/08/10/621080810.db2.gz HSEDRNXEHUPVFN-CABCVRRESA-N 1 0 316.367 3.342 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000922693778 621080825 /nfs/dbraw/zinc/08/08/25/621080825.db2.gz HSEDRNXEHUPVFN-GJZGRUSLSA-N 1 0 316.367 3.342 20 10 DGCDRO CN(C)[C@@H](CC[NH2+]Cc1c(O)cccc1Cl)C(F)(F)F ZINC000922752150 621093745 /nfs/dbraw/zinc/09/37/45/621093745.db2.gz MYJXRIQHRLBGDF-LBPRGKRZSA-N 1 0 310.747 3.018 20 10 DGCDRO Cc1nc2c(cccc2CC[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000922770908 621097245 /nfs/dbraw/zinc/09/72/45/621097245.db2.gz SIBGYCPCOWNZNN-UHFFFAOYSA-N 1 0 308.381 3.403 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@]2(C)CCCCO2)ccc1OC ZINC000922818063 621104560 /nfs/dbraw/zinc/10/45/60/621104560.db2.gz UARKSJAWHJBDNB-SFHVURJKSA-N 1 0 307.434 3.281 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)n1 ZINC000922871403 621112380 /nfs/dbraw/zinc/11/23/80/621112380.db2.gz FTKYLDOBRHLMPO-HUUCEWRRSA-N 1 0 315.417 3.375 20 10 DGCDRO CCOc1cccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1O ZINC000922968884 621141368 /nfs/dbraw/zinc/14/13/68/621141368.db2.gz RUENNQCLCPOXAX-HNNXBMFYSA-N 1 0 305.418 3.372 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@]23C[C@H]2CCC3)c1O ZINC000923022934 621147930 /nfs/dbraw/zinc/14/79/30/621147930.db2.gz BPRBNSYMNXLUSQ-QMTHXVAHSA-N 1 0 312.207 3.196 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)ccn1 ZINC000858100675 621152667 /nfs/dbraw/zinc/15/26/67/621152667.db2.gz WLOBEOLUGYSITF-UHFFFAOYSA-N 1 0 313.470 3.233 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cccc3n[nH]cc32)n1 ZINC000858141965 621157321 /nfs/dbraw/zinc/15/73/21/621157321.db2.gz VAHHDYKSFNCPNX-UHFFFAOYSA-N 1 0 304.444 3.291 20 10 DGCDRO Cc1cccnc1CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858172813 621160976 /nfs/dbraw/zinc/16/09/76/621160976.db2.gz HIKNPYRCWFHSNV-UHFFFAOYSA-N 1 0 305.372 3.067 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCCC2CCOCC2)cc1F ZINC000858171168 621161151 /nfs/dbraw/zinc/16/11/51/621161151.db2.gz WBQJGYSJCSKSNQ-UHFFFAOYSA-N 1 0 312.404 3.327 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](C2CC2)C2CCOCC2)cc1F ZINC000858184804 621162384 /nfs/dbraw/zinc/16/23/84/621162384.db2.gz OUNVIMVWQDWWHX-GOSISDBHSA-N 1 0 324.415 3.326 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CCCc1ccco1 ZINC000858194792 621163632 /nfs/dbraw/zinc/16/36/32/621163632.db2.gz KIHPMSGSODRPIL-UHFFFAOYSA-N 1 0 310.191 3.470 20 10 DGCDRO CCC[NH+](CCC)CCCNC(=O)NCc1cc(C)ccc1O ZINC000858206595 621164687 /nfs/dbraw/zinc/16/46/87/621164687.db2.gz OVAXBTLNSJPWEJ-UHFFFAOYSA-N 1 0 321.465 3.012 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CC[C@@H]1CCCOC1 ZINC000858207725 621164797 /nfs/dbraw/zinc/16/47/97/621164797.db2.gz VDZMNCRDWGXRML-NSHDSACASA-N 1 0 314.223 3.061 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000858211768 621165101 /nfs/dbraw/zinc/16/51/01/621165101.db2.gz MOUDTECYASBYIO-INIZCTEOSA-N 1 0 303.789 3.277 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc1OC ZINC000858245691 621167977 /nfs/dbraw/zinc/16/79/77/621167977.db2.gz WADLSFKJHSNTQD-QGZVFWFLSA-N 1 0 320.477 3.053 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCCC12CC2 ZINC000858330545 621176560 /nfs/dbraw/zinc/17/65/60/621176560.db2.gz BYGBFAPJYSWDIW-KRWDZBQOSA-N 1 0 300.446 3.193 20 10 DGCDRO CCN(CC)c1ccc(CNc2cc[nH+]c(CO)c2)cc1F ZINC000858403663 621186255 /nfs/dbraw/zinc/18/62/55/621186255.db2.gz IWHJTRQQUGNPTD-UHFFFAOYSA-N 1 0 303.381 3.171 20 10 DGCDRO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000858471985 621195281 /nfs/dbraw/zinc/19/52/81/621195281.db2.gz FYKJPYYBIQMOOW-SWLSCSKDSA-N 1 0 311.381 3.458 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)c(O)c1C ZINC000858479542 621196538 /nfs/dbraw/zinc/19/65/38/621196538.db2.gz UUNCDOCMQSHQEC-UONOGXRCSA-N 1 0 312.404 3.389 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)cc1 ZINC000858527489 621201866 /nfs/dbraw/zinc/20/18/66/621201866.db2.gz HRNYCEWFGBQXBK-LIRRHRJNSA-N 1 0 323.440 3.357 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000858544946 621203497 /nfs/dbraw/zinc/20/34/97/621203497.db2.gz DVPZRRKAWPBFMG-MDZRGWNJSA-N 1 0 302.462 3.489 20 10 DGCDRO CCO[C@@H](C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000859086881 621247398 /nfs/dbraw/zinc/24/73/98/621247398.db2.gz PVOHKFIXIDCHEV-IBGZPJMESA-N 1 0 318.461 3.022 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)[C@@H]1SC ZINC000838963467 621307570 /nfs/dbraw/zinc/30/75/70/621307570.db2.gz VOGCUJWLSCTENL-TUAOUCFPSA-N 1 0 318.533 3.124 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)[C@@H]1SC ZINC000838963471 621307708 /nfs/dbraw/zinc/30/77/08/621307708.db2.gz VOGCUJWLSCTENL-UTUOFQBUSA-N 1 0 318.533 3.124 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c1 ZINC000839145517 621332239 /nfs/dbraw/zinc/33/22/39/621332239.db2.gz SYGQVEJRHKQUPV-UHFFFAOYSA-N 1 0 319.351 3.354 20 10 DGCDRO Fc1cc(C[NH2+]C[C@H]2CC=CCC2)cc(F)c1N1CCOCC1 ZINC000839146787 621332839 /nfs/dbraw/zinc/33/28/39/621332839.db2.gz VGADMMZBHISWNR-AWEZNQCLSA-N 1 0 322.399 3.247 20 10 DGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146449 621332893 /nfs/dbraw/zinc/33/28/93/621332893.db2.gz HUBIMZNLJNBLSW-CHWSQXEVSA-N 1 0 312.404 3.326 20 10 DGCDRO CC(C)CCC[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146173 621333199 /nfs/dbraw/zinc/33/31/99/621333199.db2.gz YKRXLNAINCLSCJ-UHFFFAOYSA-N 1 0 312.404 3.327 20 10 DGCDRO CCC1(CC)C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000839131859 621338931 /nfs/dbraw/zinc/33/89/31/621338931.db2.gz FGTSLYFNQUSZRR-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)ccc1OC ZINC000839183066 621344810 /nfs/dbraw/zinc/34/48/10/621344810.db2.gz STBSOPXVTOGEOV-QZTJIDSGSA-N 1 0 319.445 3.279 20 10 DGCDRO C[NH+](C)CCOc1ccc(NCc2cccc(F)c2O)cc1F ZINC000839189227 621345874 /nfs/dbraw/zinc/34/58/74/621345874.db2.gz CNLXEOLVUZBRPP-UHFFFAOYSA-N 1 0 322.355 3.223 20 10 DGCDRO CC(C)C1CC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000752933810 621416582 /nfs/dbraw/zinc/41/65/82/621416582.db2.gz RIAVZBKDERMFGQ-UHFFFAOYSA-N 1 0 306.425 3.187 20 10 DGCDRO COCC1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753570951 621449548 /nfs/dbraw/zinc/44/95/48/621449548.db2.gz MKSYDNXIHDLYBT-UHFFFAOYSA-N 1 0 313.397 3.240 20 10 DGCDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753571785 621449982 /nfs/dbraw/zinc/44/99/82/621449982.db2.gz XNDNPWROZYQONY-LSDHHAIUSA-N 1 0 315.413 3.220 20 10 DGCDRO CC(=O)NC1CCC([N@H+](C)Cc2cc(Cl)cc(C)c2O)CC1 ZINC000753592641 621452215 /nfs/dbraw/zinc/45/22/15/621452215.db2.gz YFQGUIJIBSVAGJ-UHFFFAOYSA-N 1 0 324.852 3.233 20 10 DGCDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000754130941 621490281 /nfs/dbraw/zinc/49/02/81/621490281.db2.gz TWYOMMJYZXIZON-KQTLUZQSSA-N 1 0 306.425 3.185 20 10 DGCDRO COC(=O)CN(Cc1ccccc1)Cc1cc(C)cc(C)c1O ZINC000754723423 621527918 /nfs/dbraw/zinc/52/79/18/621527918.db2.gz SANMRGPWOFNRSB-UHFFFAOYSA-N 1 0 313.397 3.184 20 10 DGCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862366018 621579568 /nfs/dbraw/zinc/57/95/68/621579568.db2.gz AJFUAOWMAAQBQO-GUYCJALGSA-N 1 0 323.431 3.089 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F ZINC000862384249 621582195 /nfs/dbraw/zinc/58/21/95/621582195.db2.gz SLNUBBDOWQUKMZ-QBIMZIAESA-N 1 0 324.415 3.156 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C[C@@H]1C ZINC000862386624 621582276 /nfs/dbraw/zinc/58/22/76/621582276.db2.gz WGROTKIENJMQOO-HZMBPMFUSA-N 1 0 314.223 3.012 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1F ZINC000862388012 621583066 /nfs/dbraw/zinc/58/30/66/621583066.db2.gz UFCMLBBNQCPDLB-CYBMUJFWSA-N 1 0 312.404 3.014 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1F ZINC000862387484 621583169 /nfs/dbraw/zinc/58/31/69/621583169.db2.gz NMCZOIOWKDFPRG-QGZVFWFLSA-N 1 0 310.388 3.033 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@]3(C)CCCS3)C2)cc1 ZINC000862407733 621586029 /nfs/dbraw/zinc/58/60/29/621586029.db2.gz KZCRAWLAFSQDKW-WMLDXEAASA-N 1 0 306.475 3.149 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C3CC(F)(F)C3)C2)cc1 ZINC000862408061 621586135 /nfs/dbraw/zinc/58/61/35/621586135.db2.gz SHXOEFGKGFQUSJ-OCCSQVGLSA-N 1 0 310.388 3.297 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(N2CCOCC2)c(F)c1 ZINC000118945679 621591700 /nfs/dbraw/zinc/59/17/00/621591700.db2.gz FTKBJADWNKZXIL-HIFRSBDPSA-N 1 0 324.465 3.209 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC=C(C(=O)OC)C2)cc1F ZINC000862465859 621592133 /nfs/dbraw/zinc/59/21/33/621592133.db2.gz MALLFISHUZLXKF-HNNXBMFYSA-N 1 0 320.408 3.023 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1C ZINC000862482642 621594300 /nfs/dbraw/zinc/59/43/00/621594300.db2.gz KMGVHUXILNJDNV-FQEVSTJZSA-N 1 0 311.425 3.493 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000862488690 621595214 /nfs/dbraw/zinc/59/52/14/621595214.db2.gz OEQOWDBRBAFVGP-CQSZACIVSA-N 1 0 309.793 3.096 20 10 DGCDRO CCc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862540326 621598492 /nfs/dbraw/zinc/59/84/92/621598492.db2.gz CKUKRAIBSKLUAB-CYBMUJFWSA-N 1 0 322.449 3.300 20 10 DGCDRO CCN(CC[NH2+][C@H](C)c1cc(F)ccc1O)CCC(F)(F)F ZINC000756051415 621612002 /nfs/dbraw/zinc/61/20/02/621612002.db2.gz VQLMSBOAPVKBEW-LLVKDONJSA-N 1 0 322.346 3.456 20 10 DGCDRO Cc1ccc(O)c(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000862757185 621613763 /nfs/dbraw/zinc/61/37/63/621613763.db2.gz KNNFCOPAXXRLTL-KRWDZBQOSA-N 1 0 312.413 3.010 20 10 DGCDRO COCC(C)(C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000756077723 621614127 /nfs/dbraw/zinc/61/41/27/621614127.db2.gz SOJNUSJMWMXHKP-INIZCTEOSA-N 1 0 307.434 3.046 20 10 DGCDRO CC[N@H+](C)[C@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862759088 621614345 /nfs/dbraw/zinc/61/43/45/621614345.db2.gz VGJLPWHIWOAKOV-SFHVURJKSA-N 1 0 312.413 3.010 20 10 DGCDRO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc2ccccc2c1O ZINC000756383699 621633420 /nfs/dbraw/zinc/63/34/20/621633420.db2.gz ZYJUHGNYUNYLAR-UGSOOPFHSA-N 1 0 320.392 3.423 20 10 DGCDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000756398068 621635066 /nfs/dbraw/zinc/63/50/66/621635066.db2.gz YRQZGRYUUFOQHJ-AWEZNQCLSA-N 1 0 312.413 3.219 20 10 DGCDRO C[C@H]([NH2+]CC[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000756402805 621635568 /nfs/dbraw/zinc/63/55/68/621635568.db2.gz YXVXBEKXMIYPLW-CMPLNLGQSA-N 1 0 314.223 3.374 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)nc2)c2c1c(F)ccc2O ZINC000756401436 621635613 /nfs/dbraw/zinc/63/56/13/621635613.db2.gz PBVXXJQEBYWCRZ-SMDDNHRTSA-N 1 0 315.392 3.330 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2C[C@@H](C)C[C@H](C)C2)c1 ZINC000756415902 621636709 /nfs/dbraw/zinc/63/67/09/621636709.db2.gz MDOQGGONRNWQJM-KKUMJFAQSA-N 1 0 306.450 3.029 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCN2CCC[C@@H](C)C2)c2c1c(F)ccc2O ZINC000756414867 621636947 /nfs/dbraw/zinc/63/69/47/621636947.db2.gz JFBOKUICXUDPBP-VNHYZAJKSA-N 1 0 306.425 3.401 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756435032 621638125 /nfs/dbraw/zinc/63/81/25/621638125.db2.gz SXCLZDLLVZQCQL-QWHCGFSZSA-N 1 0 312.404 3.443 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCCCC1 ZINC000756434026 621638151 /nfs/dbraw/zinc/63/81/51/621638151.db2.gz HTJUVRBXVIIDHA-KBPBESRZSA-N 1 0 321.421 3.073 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2O ZINC000756461080 621640075 /nfs/dbraw/zinc/64/00/75/621640075.db2.gz VBKBWIPSKXSEFO-MAILCFBASA-N 1 0 313.372 3.328 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCOCC(F)(F)F)c2c1c(F)ccc2O ZINC000756467945 621640107 /nfs/dbraw/zinc/64/01/07/621640107.db2.gz AXBNFMOACGVLGA-SCZZXKLOSA-N 1 0 307.287 3.248 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]CCOCC(F)(F)F)c2c1c(F)ccc2O ZINC000756467947 621640156 /nfs/dbraw/zinc/64/01/56/621640156.db2.gz AXBNFMOACGVLGA-WCBMZHEXSA-N 1 0 307.287 3.248 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2Cc3ccccc3C2)c1 ZINC000756478206 621640776 /nfs/dbraw/zinc/64/07/76/621640776.db2.gz GPJPVPMUTAXLKK-AWEZNQCLSA-N 1 0 312.413 3.067 20 10 DGCDRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756495863 621642124 /nfs/dbraw/zinc/64/21/24/621642124.db2.gz SQQSVZFFSGZCMC-JTNHKYCSSA-N 1 0 301.365 3.090 20 10 DGCDRO COCCOCCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756516179 621644554 /nfs/dbraw/zinc/64/45/54/621644554.db2.gz IDFMMVCXTKQPAU-OCCSQVGLSA-N 1 0 311.397 3.112 20 10 DGCDRO CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756529952 621645401 /nfs/dbraw/zinc/64/54/01/621645401.db2.gz WJCBPTDOBUUQCT-VHSXEESVSA-N 1 0 302.212 3.230 20 10 DGCDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1C ZINC000756533728 621645433 /nfs/dbraw/zinc/64/54/33/621645433.db2.gz HJRDHDHPBSAKGA-NSHDSACASA-N 1 0 303.406 3.085 20 10 DGCDRO CCc1nncn1CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000756622754 621653234 /nfs/dbraw/zinc/65/32/34/621653234.db2.gz YCRXLLFCVBDHPL-CYBMUJFWSA-N 1 0 310.401 3.050 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CN(C3CC3)C[C@H]2C)c2c1c(F)ccc2O ZINC000756644441 621655901 /nfs/dbraw/zinc/65/59/01/621655901.db2.gz AGGLJAWMJFRHEW-FIXIBIHLSA-N 1 0 304.409 3.152 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c(O)c1C ZINC000756649985 621656022 /nfs/dbraw/zinc/65/60/22/621656022.db2.gz SVAIDIQYKHNZLX-CYBMUJFWSA-N 1 0 320.433 3.279 20 10 DGCDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756671260 621657763 /nfs/dbraw/zinc/65/77/63/621657763.db2.gz FXZAPFUSBOUYFN-QWRGUYRKSA-N 1 0 324.222 3.091 20 10 DGCDRO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc2ccccc2c1O ZINC000756703575 621659197 /nfs/dbraw/zinc/65/91/97/621659197.db2.gz ADQRWTZKDGVFPP-ZDUSSCGKSA-N 1 0 312.413 3.255 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc2ccccc2c1O ZINC000756731088 621661196 /nfs/dbraw/zinc/66/11/96/621661196.db2.gz DKYCWHASYRCSJD-ZFHGCVPZSA-N 1 0 324.424 3.205 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2O ZINC000756736450 621661783 /nfs/dbraw/zinc/66/17/83/621661783.db2.gz NWIMQEAFIMBAJS-WZRBSPASSA-N 1 0 320.408 3.069 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1cc(F)ccc1O ZINC000756756965 621662506 /nfs/dbraw/zinc/66/25/06/621662506.db2.gz ASUJKEMUWOOWLQ-GXTWGEPZSA-N 1 0 317.360 3.412 20 10 DGCDRO C[C@@H](CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[S@](C)=O ZINC000756763191 621662573 /nfs/dbraw/zinc/66/25/73/621662573.db2.gz VHLFSKYDFBAORW-BYVOGVQKSA-N 1 0 309.475 3.079 20 10 DGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)C2 ZINC000756774969 621663922 /nfs/dbraw/zinc/66/39/22/621663922.db2.gz MYWPOXDSPDBRFV-ZFWWWQNUSA-N 1 0 313.397 3.364 20 10 DGCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000756775750 621663985 /nfs/dbraw/zinc/66/39/85/621663985.db2.gz SLNVGFYXALSTJA-VUCTXSBTSA-N 1 0 312.413 3.111 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000863336993 621664043 /nfs/dbraw/zinc/66/40/43/621664043.db2.gz XGFCHVGEDZRQMI-AWEZNQCLSA-N 1 0 322.449 3.354 20 10 DGCDRO CCc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)[nH]1 ZINC000756778236 621664427 /nfs/dbraw/zinc/66/44/27/621664427.db2.gz NLBBEFSGYKHZIC-YWVKMMECSA-N 1 0 304.369 3.111 20 10 DGCDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756792204 621664770 /nfs/dbraw/zinc/66/47/70/621664770.db2.gz ZWWGUFCLFNUFQF-CJBNDPTMSA-N 1 0 307.409 3.466 20 10 DGCDRO CC(C)[C@@H](O)C1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756792203 621664814 /nfs/dbraw/zinc/66/48/14/621664814.db2.gz ZWWGUFCLFNUFQF-BTJLNZGRSA-N 1 0 307.409 3.466 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)c2c1c(F)ccc2O ZINC000756788877 621664901 /nfs/dbraw/zinc/66/49/01/621664901.db2.gz FVWAVODJYRPWPN-LRDDRELGSA-N 1 0 315.388 3.404 20 10 DGCDRO C[C@@H]1[NH2+]CC[C@H]1N[C@@H](CCc1ccccc1)c1ccccc1O ZINC000863547231 621683173 /nfs/dbraw/zinc/68/31/73/621683173.db2.gz QDVIONHGYMPZDY-IPELMVKDSA-N 1 0 310.441 3.406 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(OC)cc(C)n1 ZINC000757087991 621686119 /nfs/dbraw/zinc/68/61/19/621686119.db2.gz SFOVTHSNACTOCX-UHFFFAOYSA-N 1 0 313.445 3.487 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccccc1O ZINC000839540998 621693094 /nfs/dbraw/zinc/69/30/94/621693094.db2.gz QDILYQPEJPKNPS-NVXWUHKLSA-N 1 0 310.397 3.386 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)ccc1N(C)C ZINC000839638305 621706749 /nfs/dbraw/zinc/70/67/49/621706749.db2.gz ZMWCKTOKFRDRGB-ICSRJNTNSA-N 1 0 310.441 3.369 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)OC)c(O)c1 ZINC000757801864 621740681 /nfs/dbraw/zinc/74/06/81/621740681.db2.gz YBUKBGBATNJDPH-QAPCUYQASA-N 1 0 321.417 3.002 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000757865459 621743849 /nfs/dbraw/zinc/74/38/49/621743849.db2.gz GPKIGEWQFRMYRT-WBVHZDCISA-N 1 0 307.434 3.020 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000760156782 621918212 /nfs/dbraw/zinc/91/82/12/621918212.db2.gz GPJAIWHJSQEFLH-GUDVDZBRSA-N 1 0 314.473 3.498 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2)CC1 ZINC000865456430 621925727 /nfs/dbraw/zinc/92/57/27/621925727.db2.gz NLOFBAFLUZHMCL-UHFFFAOYSA-N 1 0 311.429 3.313 20 10 DGCDRO C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760898255 621972913 /nfs/dbraw/zinc/97/29/13/621972913.db2.gz PJSJBKSMIOZLIL-ZDUSSCGKSA-N 1 0 321.421 3.073 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c1O ZINC000865735341 621986109 /nfs/dbraw/zinc/98/61/09/621986109.db2.gz KMGGWXIYTKADJM-RDJZCZTQSA-N 1 0 305.418 3.228 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c(O)c1 ZINC000865762394 621990482 /nfs/dbraw/zinc/99/04/82/621990482.db2.gz NOCMNHYKKIKNAG-YJBOKZPZSA-N 1 0 305.418 3.086 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1F ZINC000865761242 621990666 /nfs/dbraw/zinc/99/06/66/621990666.db2.gz CPUYLNVPVMBZIO-QAPCUYQASA-N 1 0 306.425 3.187 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC23CCOCC3)cc1F ZINC000865777180 621993146 /nfs/dbraw/zinc/99/31/46/621993146.db2.gz UMJZYVSWRSLPFE-CQSZACIVSA-N 1 0 324.415 3.327 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cncc(F)c2)c1O ZINC000761214648 621994573 /nfs/dbraw/zinc/99/45/73/621994573.db2.gz GPLLIYZZUHTAJN-VIFPVBQESA-N 1 0 310.756 3.439 20 10 DGCDRO Cc1cccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1O ZINC000761221209 621995212 /nfs/dbraw/zinc/99/52/12/621995212.db2.gz BVIPAYOEKHNTKH-UHFFFAOYSA-N 1 0 314.429 3.277 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(O)c1 ZINC000865786987 621995447 /nfs/dbraw/zinc/99/54/47/621995447.db2.gz WWMSJRGDHNHJKD-UHFFFAOYSA-N 1 0 316.357 3.297 20 10 DGCDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000761229884 621996280 /nfs/dbraw/zinc/99/62/80/621996280.db2.gz VKJZHJZGFZMRDO-SNVBAGLBSA-N 1 0 307.312 3.230 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2c3ccccc3CN2C)c1 ZINC000865807878 621998819 /nfs/dbraw/zinc/99/88/19/621998819.db2.gz YYQHBRHXZDLCHT-SFHVURJKSA-N 1 0 312.413 3.067 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C2([C@H]3CCCCO3)CCC2)c1 ZINC000865857611 622009465 /nfs/dbraw/zinc/00/94/65/622009465.db2.gz ULGIRCBKEVPGAW-QGZVFWFLSA-N 1 0 305.418 3.372 20 10 DGCDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000865876041 622013562 /nfs/dbraw/zinc/01/35/62/622013562.db2.gz HPPUVIRSKRMTMJ-TZMCWYRMSA-N 1 0 309.450 3.337 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3cccc(C)c3C2)cc1OC ZINC000762088990 622052236 /nfs/dbraw/zinc/05/22/36/622052236.db2.gz WOJFTNDVCJMXNY-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1C ZINC000762611070 622086133 /nfs/dbraw/zinc/08/61/33/622086133.db2.gz CIVGFUWKBYWDLE-KBMXLJTQSA-N 1 0 309.500 3.478 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)CC1(C)OCCO1 ZINC000866424136 622115113 /nfs/dbraw/zinc/11/51/13/622115113.db2.gz CPDOCTRQZGGKIU-RYUDHWBXSA-N 1 0 313.825 3.485 20 10 DGCDRO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(N2CCCCC2)cc1 ZINC000866442047 622118608 /nfs/dbraw/zinc/11/86/08/622118608.db2.gz CKJYZHRMMZAETC-CZUORRHYSA-N 1 0 312.404 3.344 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc(Br)ccc1O ZINC000866443409 622119181 /nfs/dbraw/zinc/11/91/81/622119181.db2.gz LXGADMPCTDXAMP-QYTUQVAYSA-N 1 0 314.223 3.371 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1O ZINC000866446049 622120003 /nfs/dbraw/zinc/12/00/03/622120003.db2.gz OEFISODGUZYHMV-ZETRGDBVSA-N 1 0 307.821 3.428 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@H](O)C(F)(F)F ZINC000866463016 622122429 /nfs/dbraw/zinc/12/24/29/622122429.db2.gz GKOPXZNQQBBSNR-WMFXKJRFSA-N 1 0 317.351 3.233 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000866465209 622122772 /nfs/dbraw/zinc/12/27/72/622122772.db2.gz PQIQMOAMOVPCGM-MISXGVKJSA-N 1 0 304.356 3.105 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000866489500 622126304 /nfs/dbraw/zinc/12/63/04/622126304.db2.gz PNDUHFGESSQNRU-AVGNSLFASA-N 1 0 303.324 3.365 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000866491742 622126614 /nfs/dbraw/zinc/12/66/14/622126614.db2.gz XHELUQQRFSUASV-UYHISHBKSA-N 1 0 305.418 3.399 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000866491739 622126758 /nfs/dbraw/zinc/12/67/58/622126758.db2.gz XHELUQQRFSUASV-IGNZVWTISA-N 1 0 305.418 3.399 20 10 DGCDRO Cc1noc(CCC[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000763544500 622151773 /nfs/dbraw/zinc/15/17/73/622151773.db2.gz WQWULDJNGONJOM-UHFFFAOYSA-N 1 0 315.417 3.461 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCC2CC(OC(C)(C)C)C2)c1 ZINC000763625189 622155721 /nfs/dbraw/zinc/15/57/21/622155721.db2.gz LHUHXIXTSJJRGA-UHFFFAOYSA-N 1 0 307.434 3.474 20 10 DGCDRO CC[C@@H]([NH2+]CC(C)(C)CO)c1cc(Br)ccc1O ZINC000122009374 622215607 /nfs/dbraw/zinc/21/56/07/622215607.db2.gz YSYDZSABVAPEQI-GFCCVEGCSA-N 1 0 316.239 3.214 20 10 DGCDRO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868163174 622220529 /nfs/dbraw/zinc/22/05/29/622220529.db2.gz KQCQIPZQRDSWNH-ZDUSSCGKSA-N 1 0 313.401 3.384 20 10 DGCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000765794504 622287878 /nfs/dbraw/zinc/28/78/78/622287878.db2.gz CTLACDVCANISMH-ROUUACIJSA-N 1 0 324.424 3.064 20 10 DGCDRO C[C@@H]([NH2+]CC[S@](=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765905637 622293329 /nfs/dbraw/zinc/29/33/29/622293329.db2.gz AUZWCLNAMRGQLD-QRQCRPRQSA-N 1 0 316.470 3.211 20 10 DGCDRO C[C@@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccccc1O ZINC000869011493 622310119 /nfs/dbraw/zinc/31/01/19/622310119.db2.gz PXNSCFGJVQAURY-WRSVWVKZSA-N 1 0 319.449 3.015 20 10 DGCDRO CC[C@@H](C[C@H](C)CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000766360890 622324134 /nfs/dbraw/zinc/32/41/34/622324134.db2.gz OVVCGHOXEUUICE-HOTGVXAUSA-N 1 0 320.477 3.051 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000766587399 622340816 /nfs/dbraw/zinc/34/08/16/622340816.db2.gz XMKDKEHRJQJBNA-JVPBZIDWSA-N 1 0 301.478 3.276 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c(O)c1 ZINC000767196970 622382116 /nfs/dbraw/zinc/38/21/16/622382116.db2.gz ZWMRVLZPNBYNCS-MSOLQXFVSA-N 1 0 305.418 3.086 20 10 DGCDRO Fc1cc(C[NH+]2CCCCCCC2)ccc1N1CCOCC1 ZINC000768142858 622441923 /nfs/dbraw/zinc/44/19/23/622441923.db2.gz HNAMWDSOZQNXJM-UHFFFAOYSA-N 1 0 306.425 3.428 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2c(O)cccc2OC)cc1 ZINC000768162876 622442839 /nfs/dbraw/zinc/44/28/39/622442839.db2.gz KZGMMURTGMEPCH-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1F ZINC000768198559 622444817 /nfs/dbraw/zinc/44/48/17/622444817.db2.gz VKUJHSXWJCESQO-UHFFFAOYSA-N 1 0 316.376 3.252 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)CCOc1ccccc1C ZINC000768212594 622445569 /nfs/dbraw/zinc/44/55/69/622445569.db2.gz MLHVIONTOFENOX-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000768245375 622447829 /nfs/dbraw/zinc/44/78/29/622447829.db2.gz QRDFBGSPOAKBBM-IBGZPJMESA-N 1 0 310.441 3.407 20 10 DGCDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000768402880 622454679 /nfs/dbraw/zinc/45/46/79/622454679.db2.gz RUPPWDIRCWIBGB-INIZCTEOSA-N 1 0 312.461 3.131 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccs1)[C@H](O)CO2 ZINC000768442093 622456400 /nfs/dbraw/zinc/45/64/00/622456400.db2.gz OUXNDXDYGKQGSR-DZGCQCFKSA-N 1 0 317.410 3.217 20 10 DGCDRO COc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(O)cc1C ZINC000768442379 622456489 /nfs/dbraw/zinc/45/64/89/622456489.db2.gz TZBNWBACFBFOGI-LJQANCHMSA-N 1 0 313.397 3.283 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](CC1CCCCC1)C1CC1)[C@@H](O)CO2 ZINC000768446503 622457133 /nfs/dbraw/zinc/45/71/33/622457133.db2.gz YKIPGWXSZJDMPW-SFHVURJKSA-N 1 0 317.429 3.363 20 10 DGCDRO CCC[C@]1(C)CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466507 622458760 /nfs/dbraw/zinc/45/87/60/622458760.db2.gz QWYRYNFBRUWEIA-FUHWJXTLSA-N 1 0 305.418 3.220 20 10 DGCDRO FC(F)C1CC([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000768677913 622470639 /nfs/dbraw/zinc/47/06/39/622470639.db2.gz LCQCSGZMMZPUMP-UHFFFAOYSA-N 1 0 312.429 3.373 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c1O ZINC000768894565 622484024 /nfs/dbraw/zinc/48/40/24/622484024.db2.gz YPDLTVJZXJHDGD-QGZVFWFLSA-N 1 0 313.397 3.444 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000768938366 622486534 /nfs/dbraw/zinc/48/65/34/622486534.db2.gz YUHGXPIGOCRARZ-INIZCTEOSA-N 1 0 308.853 3.496 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000768936786 622486716 /nfs/dbraw/zinc/48/67/16/622486716.db2.gz HQQOXSDSMNUOGV-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000769022277 622492978 /nfs/dbraw/zinc/49/29/78/622492978.db2.gz KFDMWZYBPLIYKR-IBGZPJMESA-N 1 0 313.397 3.147 20 10 DGCDRO C[C@H]1C[NH+](Cc2cc(Br)ccc2O)C[C@H](C)S1 ZINC000769141830 622501405 /nfs/dbraw/zinc/50/14/05/622501405.db2.gz MQEPCMWBCNMCSU-UWVGGRQHSA-N 1 0 316.264 3.481 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000769232766 622509540 /nfs/dbraw/zinc/50/95/40/622509540.db2.gz KZBBFBLSLRAEGG-AWEZNQCLSA-N 1 0 308.853 3.496 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCN(c3ccccc3)C2=O)cc1C ZINC000769328831 622518277 /nfs/dbraw/zinc/51/82/77/622518277.db2.gz COUFWXGJUUHJQS-SFHVURJKSA-N 1 0 324.424 3.246 20 10 DGCDRO CC1(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)OCCO1 ZINC000769400568 622524766 /nfs/dbraw/zinc/52/47/66/622524766.db2.gz UMUIDBOHBAHZBW-UHFFFAOYSA-N 1 0 311.809 3.021 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCNc2cccc(C)n2)cc1 ZINC000769401750 622524840 /nfs/dbraw/zinc/52/48/40/622524840.db2.gz ZQFJDXCCEDEEHX-UHFFFAOYSA-N 1 0 312.461 3.438 20 10 DGCDRO CCOc1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)c(O)c1 ZINC000769424929 622527165 /nfs/dbraw/zinc/52/71/65/622527165.db2.gz AJNIUSMARUSOKG-GOSISDBHSA-N 1 0 315.413 3.346 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)c(O)c1 ZINC000769436775 622527734 /nfs/dbraw/zinc/52/77/34/622527734.db2.gz YBVVYHSBQDJITO-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO CCC[N@H+](Cc1c(O)cccc1OC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769470250 622530871 /nfs/dbraw/zinc/53/08/71/622530871.db2.gz JPDLVTXSNZHWRT-MORSLUCNSA-N 1 0 319.445 3.426 20 10 DGCDRO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000769514728 622536352 /nfs/dbraw/zinc/53/63/52/622536352.db2.gz LCRSLHOQURYWTD-SFHVURJKSA-N 1 0 324.424 3.160 20 10 DGCDRO CCOc1cccc(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000769548144 622539640 /nfs/dbraw/zinc/53/96/40/622539640.db2.gz FZGUDFPRWFUSQI-MAUKXSAKSA-N 1 0 307.434 3.426 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000769934646 622579070 /nfs/dbraw/zinc/57/90/70/622579070.db2.gz NFJGKELLXPGMSW-QGZVFWFLSA-N 1 0 304.459 3.418 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c(O)c1 ZINC000770305953 622619478 /nfs/dbraw/zinc/61/94/78/622619478.db2.gz WYFOHUIIQPRBJT-KRWDZBQOSA-N 1 0 315.417 3.170 20 10 DGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(O)cccc2OC)C12CCC2 ZINC000770351755 622624199 /nfs/dbraw/zinc/62/41/99/622624199.db2.gz KQPQYVYPOSCQHC-IAGOWNOFSA-N 1 0 305.418 3.180 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000770377269 622626639 /nfs/dbraw/zinc/62/66/39/622626639.db2.gz ZDOVDLWKJIYLQG-LSDHHAIUSA-N 1 0 305.418 3.039 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@@H]1CCCOC1 ZINC000872029555 622761675 /nfs/dbraw/zinc/76/16/75/622761675.db2.gz RUJPXVDIJDWZEF-QZTJIDSGSA-N 1 0 302.462 3.364 20 10 DGCDRO C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1cc(F)ccc1O ZINC000872111080 622813822 /nfs/dbraw/zinc/81/38/22/622813822.db2.gz YRIPPURMLITKQW-ZETCQYMHSA-N 1 0 317.229 3.354 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000123981991 622855944 /nfs/dbraw/zinc/85/59/44/622855944.db2.gz ZTBZCQYYPCZRPK-AWEZNQCLSA-N 1 0 313.731 3.147 20 10 DGCDRO CCn1nc(C)c(C[N@H+](C)Cc2c(O)ccc3ccncc32)c1C ZINC000872630715 622945349 /nfs/dbraw/zinc/94/53/49/622945349.db2.gz CNWIIQJDRTXOMN-UHFFFAOYSA-N 1 0 324.428 3.406 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)cc1 ZINC000772960185 622957785 /nfs/dbraw/zinc/95/77/85/622957785.db2.gz UCRPJQFGEXCJFC-AWEZNQCLSA-N 1 0 305.466 3.098 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(N(C)C)cc1 ZINC000772981987 622960343 /nfs/dbraw/zinc/96/03/43/622960343.db2.gz HQMANQOHUVDBAM-CQSZACIVSA-N 1 0 312.413 3.375 20 10 DGCDRO OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1O)CCCC2 ZINC000872758113 622970886 /nfs/dbraw/zinc/97/08/86/622970886.db2.gz OYBYSOXJZVLEGM-WUUXGELPSA-N 1 0 315.457 3.396 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](C(C)=O)C3)c2c1 ZINC000872801134 622981213 /nfs/dbraw/zinc/98/12/13/622981213.db2.gz WFYDPDBSMSEDQV-OAHLLOKOSA-N 1 0 313.397 3.355 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773095516 622982871 /nfs/dbraw/zinc/98/28/71/622982871.db2.gz SVETUANNJMBGDN-OAHLLOKOSA-N 1 0 305.441 3.172 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773105577 622985165 /nfs/dbraw/zinc/98/51/65/622985165.db2.gz HWXYOTQFKKWLIE-JSGCOSHPSA-N 1 0 304.356 3.107 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)cc1 ZINC000773108304 622985448 /nfs/dbraw/zinc/98/54/48/622985448.db2.gz WAGLRRNQTQIFOO-YPMHNXCESA-N 1 0 304.356 3.107 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1O ZINC000773262211 623006253 /nfs/dbraw/zinc/00/62/53/623006253.db2.gz OIZHEZOGFOTEFZ-JKSUJKDBSA-N 1 0 319.445 3.348 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1Cn1cccn1 ZINC000873006971 623015687 /nfs/dbraw/zinc/01/56/87/623015687.db2.gz DUXAKTNYRJTSPN-HNNXBMFYSA-N 1 0 322.412 3.186 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1C ZINC000873117178 623039852 /nfs/dbraw/zinc/03/98/52/623039852.db2.gz BYIZAQVEPAVQLN-GOSISDBHSA-N 1 0 318.461 3.132 20 10 DGCDRO COc1ccc(C[NH2+]C2(C3(C)CC3)CC2)cc1Cn1cccn1 ZINC000873129448 623043288 /nfs/dbraw/zinc/04/32/88/623043288.db2.gz MOMGWTTUOPNWJW-UHFFFAOYSA-N 1 0 311.429 3.362 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1C ZINC000873157679 623056421 /nfs/dbraw/zinc/05/64/21/623056421.db2.gz GIMHZOBBOYQFTP-UHFFFAOYSA-N 1 0 313.323 3.014 20 10 DGCDRO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000873188764 623067922 /nfs/dbraw/zinc/06/79/22/623067922.db2.gz KSRGUUPLPKHMFS-JTQLQIEISA-N 1 0 322.206 3.104 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CN(CC)CC3)cc1 ZINC000773754318 623068053 /nfs/dbraw/zinc/06/80/53/623068053.db2.gz MIKYRJMJOXOXNE-MOPGFXCFSA-N 1 0 301.478 3.201 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](CC)[C@@H](O)c2ccccc2)c1O ZINC000873193817 623069441 /nfs/dbraw/zinc/06/94/41/623069441.db2.gz ONIRJUYPATVGIR-WMZOPIPTSA-N 1 0 315.413 3.393 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](CC)[C@@H](O)c2ccccc2)c(O)c1 ZINC000873194992 623070535 /nfs/dbraw/zinc/07/05/35/623070535.db2.gz XJYUTFXHRKYDSB-MJGOQNOKSA-N 1 0 315.413 3.393 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000773802502 623073306 /nfs/dbraw/zinc/07/33/06/623073306.db2.gz VOBBRSHYHXSQIZ-LPHOPBHVSA-N 1 0 312.461 3.422 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000773832308 623076287 /nfs/dbraw/zinc/07/62/87/623076287.db2.gz OSPWOZNYJMAJKO-ZWKOTPCHSA-N 1 0 304.478 3.372 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000873235087 623085650 /nfs/dbraw/zinc/08/56/50/623085650.db2.gz KRGIGLWMBOWITO-XJKSGUPXSA-N 1 0 302.393 3.142 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000873235259 623086152 /nfs/dbraw/zinc/08/61/52/623086152.db2.gz MXXLIQPANHCAPB-SWLSCSKDSA-N 1 0 320.383 3.281 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCCCC1 ZINC000774484978 623151258 /nfs/dbraw/zinc/15/12/58/623151258.db2.gz UGSJXXFSQJTSKU-HUUCEWRRSA-N 1 0 317.477 3.241 20 10 DGCDRO COC1(C)CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000774640555 623169385 /nfs/dbraw/zinc/16/93/85/623169385.db2.gz UVSFMULGRYUJHU-UHFFFAOYSA-N 1 0 307.434 3.396 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCC[C@@H]2OC)ccc1OC ZINC000774831746 623197452 /nfs/dbraw/zinc/19/74/52/623197452.db2.gz YGQRTXAENZWZCU-WBVHZDCISA-N 1 0 307.434 3.136 20 10 DGCDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000775128391 623233860 /nfs/dbraw/zinc/23/38/60/623233860.db2.gz AQLKTRORXNZVNL-JKSUJKDBSA-N 1 0 315.413 3.100 20 10 DGCDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000775184923 623239649 /nfs/dbraw/zinc/23/96/49/623239649.db2.gz UBCGCVVOKBSHEZ-SFHVURJKSA-N 1 0 305.418 3.398 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCc3cccc(F)c3C2)c1O ZINC000124852295 623245477 /nfs/dbraw/zinc/24/54/77/623245477.db2.gz UAUSQDWHUHNVAC-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000124927824 623257297 /nfs/dbraw/zinc/25/72/97/623257297.db2.gz IBBWIIHDVJCZLC-ZDUSSCGKSA-N 1 0 324.852 3.174 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccccc1O ZINC000775414088 623271608 /nfs/dbraw/zinc/27/16/08/623271608.db2.gz KWYIIADDHDZJAW-QGZVFWFLSA-N 1 0 312.413 3.335 20 10 DGCDRO CC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccccc1O ZINC000775412989 623272093 /nfs/dbraw/zinc/27/20/93/623272093.db2.gz SZOPIQPIVQAJJO-LBPRGKRZSA-N 1 0 313.323 3.392 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@@H]3OC)CC2)cc1 ZINC000775420490 623273579 /nfs/dbraw/zinc/27/35/79/623273579.db2.gz XSLDJRPBJMAQMM-KXBFYZLASA-N 1 0 318.461 3.069 20 10 DGCDRO CC[C@H]([NH2+]CCCOCCOC)c1cc(Cl)ccc1O ZINC000775484691 623279099 /nfs/dbraw/zinc/27/90/99/623279099.db2.gz HNJKOWJCMPTJFC-AWEZNQCLSA-N 1 0 301.814 3.139 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](CO)SC)c1cc(Cl)ccc1O ZINC000775509392 623282429 /nfs/dbraw/zinc/28/24/29/623282429.db2.gz LILXHFJPTWIXHS-DUFXMDAXSA-N 1 0 303.855 3.199 20 10 DGCDRO CC[C@@H]([NH2+]CCN(C)CCCOC)c1cc(Cl)ccc1O ZINC000775509382 623282522 /nfs/dbraw/zinc/28/25/22/623282522.db2.gz REZALZDTYYMFLY-OAHLLOKOSA-N 1 0 314.857 3.055 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Cl)ccc1O ZINC000775517879 623283215 /nfs/dbraw/zinc/28/32/15/623283215.db2.gz AGMFYQSSEUNRGJ-ZDUSSCGKSA-N 1 0 312.841 3.391 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1ccccc1O ZINC000775524439 623283798 /nfs/dbraw/zinc/28/37/98/623283798.db2.gz QGSDQUUKPXTOJG-WBVHZDCISA-N 1 0 304.434 3.080 20 10 DGCDRO COc1cc(O)c(C[N@H+](Cc2ccc(C)o2)C2CC2)cc1OC ZINC000775649335 623303713 /nfs/dbraw/zinc/30/37/13/623303713.db2.gz OJLMDYGWGADWHC-UHFFFAOYSA-N 1 0 317.385 3.475 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000775659318 623307966 /nfs/dbraw/zinc/30/79/66/623307966.db2.gz VSAKJUWBQZSGKT-MRXNPFEDSA-N 1 0 308.853 3.414 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000775691509 623314756 /nfs/dbraw/zinc/31/47/56/623314756.db2.gz YMMJYMZADRLCIN-AWEZNQCLSA-N 1 0 320.433 3.142 20 10 DGCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000775709588 623316908 /nfs/dbraw/zinc/31/69/08/623316908.db2.gz VBFRRGMQPQGXQD-GOSISDBHSA-N 1 0 324.424 3.328 20 10 DGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775716687 623318443 /nfs/dbraw/zinc/31/84/43/623318443.db2.gz ZTODSCGMCCKIFV-SMDDNHRTSA-N 1 0 314.832 3.489 20 10 DGCDRO CCCCC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775830420 623338457 /nfs/dbraw/zinc/33/84/57/623338457.db2.gz IEVYQERJSDSZFT-HZPDHXFCSA-N 1 0 319.493 3.488 20 10 DGCDRO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833612 623339122 /nfs/dbraw/zinc/33/91/22/623339122.db2.gz FJSHAHKLYOEIOD-CQSZACIVSA-N 1 0 312.413 3.390 20 10 DGCDRO C[C@@H]([NH2+]CCCCCn1cccn1)c1ccc(N(C)C)cc1 ZINC000775834035 623339728 /nfs/dbraw/zinc/33/97/28/623339728.db2.gz JCVJKFJKEMWPSS-MRXNPFEDSA-N 1 0 300.450 3.470 20 10 DGCDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000775987743 623361190 /nfs/dbraw/zinc/36/11/90/623361190.db2.gz WFESPXFEXNVRAX-DLBZAZTESA-N 1 0 301.478 3.201 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)c(O)c1 ZINC000776015089 623364928 /nfs/dbraw/zinc/36/49/28/623364928.db2.gz AHMXIWRBKCPVIZ-UHFFFAOYSA-N 1 0 305.418 3.184 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000776061971 623370121 /nfs/dbraw/zinc/37/01/21/623370121.db2.gz ACZNBJIFNBMZLP-UHFFFAOYSA-N 1 0 312.816 3.291 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000776176118 623391814 /nfs/dbraw/zinc/39/18/14/623391814.db2.gz ZCZCPVBRNZJPEU-QGZVFWFLSA-N 1 0 303.789 3.449 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CSc3ccccc32)cc1OC ZINC000776207263 623396986 /nfs/dbraw/zinc/39/69/86/623396986.db2.gz FYVFPFAOUSUEDT-CYBMUJFWSA-N 1 0 317.410 3.346 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000776294754 623408257 /nfs/dbraw/zinc/40/82/57/623408257.db2.gz VHAZSSFJBGOICP-LJQANCHMSA-N 1 0 311.425 3.453 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C2CCN(CC)CC2)cc1 ZINC000125283118 623417311 /nfs/dbraw/zinc/41/73/11/623417311.db2.gz ADNQIHBAOSTVTH-UHFFFAOYSA-N 1 0 303.494 3.449 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCOCC1)CCC2 ZINC000776772622 623461472 /nfs/dbraw/zinc/46/14/72/623461472.db2.gz QBXWFJMIKNNQEE-SFHVURJKSA-N 1 0 301.430 3.272 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000777439147 623525351 /nfs/dbraw/zinc/52/53/51/623525351.db2.gz HWBGBXCJYSTFNR-KRWDZBQOSA-N 1 0 305.418 3.182 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2(CC(=O)OC)CCC2)cc1 ZINC000777441228 623526260 /nfs/dbraw/zinc/52/62/60/623526260.db2.gz QOODFRMFEWOTQD-UHFFFAOYSA-N 1 0 304.434 3.108 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1O ZINC000777553531 623541174 /nfs/dbraw/zinc/54/11/74/623541174.db2.gz FEIJWUSTADMWPI-INIZCTEOSA-N 1 0 305.418 3.100 20 10 DGCDRO C[N@H+](Cc1ccccc1O)C1CCN(CCC(F)(F)F)CC1 ZINC000777824807 623573070 /nfs/dbraw/zinc/57/30/70/623573070.db2.gz GEMCGWQPFHUBHP-UHFFFAOYSA-N 1 0 316.367 3.241 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2(C(=O)Nc3ccccc3)CC2)cc1 ZINC000778217884 623627110 /nfs/dbraw/zinc/62/71/10/623627110.db2.gz LLERNZZSCUPGRT-UHFFFAOYSA-N 1 0 309.413 3.014 20 10 DGCDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876525967 623633537 /nfs/dbraw/zinc/63/35/37/623633537.db2.gz NYAHLDBVEGJARN-IYBDPMFKSA-N 1 0 302.462 3.126 20 10 DGCDRO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C)cc1O)CC2 ZINC000876531463 623635510 /nfs/dbraw/zinc/63/55/10/623635510.db2.gz GUKXPQQIMXTZFO-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO CC[C@](C)(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)OC ZINC000876531420 623635618 /nfs/dbraw/zinc/63/56/18/623635618.db2.gz FXPVABHACSTLKH-SJLPKXTDSA-N 1 0 307.434 3.188 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)CC2(O)CCCCCC2)c1O ZINC000778286077 623636330 /nfs/dbraw/zinc/63/63/30/623636330.db2.gz JNYUDGHLXDMYLT-UHFFFAOYSA-N 1 0 323.408 3.251 20 10 DGCDRO Cc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)c(O)c1 ZINC000876537005 623637222 /nfs/dbraw/zinc/63/72/22/623637222.db2.gz JXNLXTMVXVPZID-UHFFFAOYSA-N 1 0 312.413 3.388 20 10 DGCDRO Cc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)c(O)c1 ZINC000876539027 623637445 /nfs/dbraw/zinc/63/74/45/623637445.db2.gz RUPSOFZXXLKUHJ-UHFFFAOYSA-N 1 0 312.413 3.388 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(O)c1 ZINC000876552339 623641307 /nfs/dbraw/zinc/64/13/07/623641307.db2.gz RJAHELBWDCBQMD-MRXNPFEDSA-N 1 0 322.412 3.123 20 10 DGCDRO C[N@H+](Cc1ccccc1O)Cc1ccccc1OCCCCO ZINC000876616118 623661118 /nfs/dbraw/zinc/66/11/18/623661118.db2.gz SRGSFYIZPTXUTM-UHFFFAOYSA-N 1 0 315.413 3.176 20 10 DGCDRO CCC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876626318 623663228 /nfs/dbraw/zinc/66/32/28/623663228.db2.gz VMWKEBTWCOMSOF-UHFFFAOYSA-N 1 0 302.462 3.270 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000876656506 623672360 /nfs/dbraw/zinc/67/23/60/623672360.db2.gz CEFGHVSVXLKMDZ-HNNXBMFYSA-N 1 0 318.461 3.073 20 10 DGCDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876751362 623696287 /nfs/dbraw/zinc/69/62/87/623696287.db2.gz XIBOHUAWBJPTGH-JKSUJKDBSA-N 1 0 302.462 3.268 20 10 DGCDRO [O-]c1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000876811590 623713992 /nfs/dbraw/zinc/71/39/92/623713992.db2.gz LNODRYMGUBTMHH-WBMJQRKESA-N 1 0 322.399 3.119 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000876817886 623715814 /nfs/dbraw/zinc/71/58/14/623715814.db2.gz OIDYFSYLRREBGZ-AWEZNQCLSA-N 1 0 312.417 3.076 20 10 DGCDRO COC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779001424 623719651 /nfs/dbraw/zinc/71/96/51/623719651.db2.gz RQKQAEAJMKKXLA-VHSXEESVSA-N 1 0 302.212 3.149 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(O)CCC2)c1O ZINC000779024489 623722189 /nfs/dbraw/zinc/72/21/89/623722189.db2.gz NTQGDFDZJNXJGC-SNVBAGLBSA-N 1 0 314.223 3.029 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)[nH]n1 ZINC000779023026 623722214 /nfs/dbraw/zinc/72/22/14/623722214.db2.gz BAZBBCPXAACPQE-SNVBAGLBSA-N 1 0 324.222 3.345 20 10 DGCDRO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1ccccc1O ZINC000779034580 623724093 /nfs/dbraw/zinc/72/40/93/623724093.db2.gz YOGUSDQNJYHDSE-IRXDYDNUSA-N 1 0 317.429 3.336 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc2c(cc1O)CCCC2 ZINC000779065654 623726823 /nfs/dbraw/zinc/72/68/23/623726823.db2.gz NIIHTIUEYCAFNR-XJKSGUPXSA-N 1 0 311.429 3.133 20 10 DGCDRO CCOc1ccc(C[N@H+](CCN(C)C)C2CCCC2)c(O)c1 ZINC000779174510 623738219 /nfs/dbraw/zinc/73/82/19/623738219.db2.gz OOVIHNDPCIXMID-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO CCn1ncnc1C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC000876903646 623741289 /nfs/dbraw/zinc/74/12/89/623741289.db2.gz NZTOFPRCYWSZBZ-UHFFFAOYSA-N 1 0 323.444 3.038 20 10 DGCDRO CCOc1ccc(C[N@H+](C)CC2(O)CCCCCC2)c(O)c1 ZINC000779203907 623741562 /nfs/dbraw/zinc/74/15/62/623741562.db2.gz KQILEDJEFZIANY-UHFFFAOYSA-N 1 0 307.434 3.308 20 10 DGCDRO OC1(C(F)F)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000779208447 623741948 /nfs/dbraw/zinc/74/19/48/623741948.db2.gz JMDHEHJHULBLFU-UHFFFAOYSA-N 1 0 324.415 3.269 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CCC3CCCC3)cc2)CC1 ZINC000876911916 623742766 /nfs/dbraw/zinc/74/27/66/623742766.db2.gz AKYJEHPBXKKMAE-UHFFFAOYSA-N 1 0 302.462 3.318 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)c(O)c1 ZINC000876929453 623746888 /nfs/dbraw/zinc/74/68/88/623746888.db2.gz XPBCPNMTFJJCHP-UHFFFAOYSA-N 1 0 310.397 3.117 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CS1 ZINC000876942771 623750328 /nfs/dbraw/zinc/75/03/28/623750328.db2.gz FCQJVCLNDGEROM-DZGCQCFKSA-N 1 0 308.516 3.223 20 10 DGCDRO COC(=O)CC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1ccccc1 ZINC000877007926 623765349 /nfs/dbraw/zinc/76/53/49/623765349.db2.gz HVEWXAIHILIVCI-QGZVFWFLSA-N 1 0 313.397 3.485 20 10 DGCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000779431986 623769539 /nfs/dbraw/zinc/76/95/39/623769539.db2.gz JEXYZKCQNBAFNV-QAPCUYQASA-N 1 0 305.418 3.221 20 10 DGCDRO CCOc1cc(C[NH2+]Cc2c(C)cccc2O)ccc1OC ZINC000877036334 623772233 /nfs/dbraw/zinc/77/22/33/623772233.db2.gz ODHOGCIEADLJDA-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C)ccc1O)CC2 ZINC000779598458 623780443 /nfs/dbraw/zinc/78/04/43/623780443.db2.gz APNOCPNWNXDVLY-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)nn2C)cc1F ZINC000790600363 625676200 /nfs/dbraw/zinc/67/62/00/625676200.db2.gz AJLXYQWYDVCIGN-UHFFFAOYSA-N 1 0 304.413 3.004 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC3(C4CC4)CCC3)cc2)CC1 ZINC000877112754 623792951 /nfs/dbraw/zinc/79/29/51/623792951.db2.gz YTEMZIRQAIUTOH-UHFFFAOYSA-N 1 0 314.473 3.318 20 10 DGCDRO CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000877114974 623794148 /nfs/dbraw/zinc/79/41/48/623794148.db2.gz FYAICTNTQXOPQL-ZDUSSCGKSA-N 1 0 312.404 3.128 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)c(O)c1 ZINC000877146808 623807804 /nfs/dbraw/zinc/80/78/04/623807804.db2.gz KUKMWJCGCVOPRK-KRWDZBQOSA-N 1 0 310.401 3.230 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCCS3)cc2)CC1 ZINC000877302756 623845795 /nfs/dbraw/zinc/84/57/95/623845795.db2.gz KELLPFPMLZZBKU-GOSISDBHSA-N 1 0 320.502 3.023 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)ccc1OC ZINC000779989113 623846349 /nfs/dbraw/zinc/84/63/49/623846349.db2.gz UQCQPEDCONFWBE-GDBMZVCRSA-N 1 0 307.434 3.136 20 10 DGCDRO CCCNC(=O)C1([NH2+]Cc2ccc(C)cc2O)CCCCC1 ZINC000877356201 623858459 /nfs/dbraw/zinc/85/84/59/623858459.db2.gz MYDKSPVRLDIPCD-UHFFFAOYSA-N 1 0 304.434 3.019 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000877389358 623865873 /nfs/dbraw/zinc/86/58/73/623865873.db2.gz BSOLFAKLZSQFKO-OAHLLOKOSA-N 1 0 317.351 3.226 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000877389357 623866210 /nfs/dbraw/zinc/86/62/10/623866210.db2.gz BSOLFAKLZSQFKO-HNNXBMFYSA-N 1 0 317.351 3.226 20 10 DGCDRO CC(C)C(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877461741 623893331 /nfs/dbraw/zinc/89/33/31/623893331.db2.gz JPXUIPQNKUPGQC-UHFFFAOYSA-N 1 0 304.478 3.420 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)c(O)c1 ZINC000877493831 623910481 /nfs/dbraw/zinc/91/04/81/623910481.db2.gz PDDBSXZVMRTFKC-FZKQIMNGSA-N 1 0 301.386 3.267 20 10 DGCDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000877494094 623910858 /nfs/dbraw/zinc/91/08/58/623910858.db2.gz SNIPQBOFNIDZIW-GTJPDFRWSA-N 1 0 315.350 3.213 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC000877494913 623911130 /nfs/dbraw/zinc/91/11/30/623911130.db2.gz PZTZIZUQHAZKAP-OAHLLOKOSA-N 1 0 324.415 3.173 20 10 DGCDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877528339 623926122 /nfs/dbraw/zinc/92/61/22/623926122.db2.gz YDWSEWDECAPZAU-HNNXBMFYSA-N 1 0 316.401 3.097 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CC[C@H](C)C2)c1O ZINC000780579101 623954260 /nfs/dbraw/zinc/95/42/60/623954260.db2.gz ZDSLEYZVHPIHME-CABZTGNLSA-N 1 0 314.223 3.442 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000877600121 623958117 /nfs/dbraw/zinc/95/81/17/623958117.db2.gz KDQYEEYYXIGHLW-GOSISDBHSA-N 1 0 301.430 3.482 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000877603128 623958966 /nfs/dbraw/zinc/95/89/66/623958966.db2.gz FWXLCBJAUJKFFK-PXNSSMCTSA-N 1 0 314.473 3.412 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3(C4CCC4)CC3)cc2)CC1 ZINC000877612067 623962311 /nfs/dbraw/zinc/96/23/11/623962311.db2.gz CFRRXXWWQRZXPW-UHFFFAOYSA-N 1 0 300.446 3.070 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C)cc3O)C2)cc1 ZINC000877620063 623965262 /nfs/dbraw/zinc/96/52/62/623965262.db2.gz CVOYLKVBWPFMOY-MRXNPFEDSA-N 1 0 312.413 3.078 20 10 DGCDRO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000877659878 623980573 /nfs/dbraw/zinc/98/05/73/623980573.db2.gz FUBRWHBHIKWKJN-ZDUSSCGKSA-N 1 0 308.422 3.046 20 10 DGCDRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000780791980 623985521 /nfs/dbraw/zinc/98/55/21/623985521.db2.gz DMDWHDPCIYZJJD-ONGXEEELSA-N 1 0 317.307 3.284 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000877672380 623985793 /nfs/dbraw/zinc/98/57/93/623985793.db2.gz DBUJPXMLHMEFID-DLBZAZTESA-N 1 0 313.397 3.099 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000877704021 623998859 /nfs/dbraw/zinc/99/88/59/623998859.db2.gz WVGAPTJMIROPFJ-RKDXNWHRSA-N 1 0 310.113 3.195 20 10 DGCDRO CCOC(=O)C1CCC([NH2+]Cc2cccc(CC)c2O)CC1 ZINC000877717331 624004122 /nfs/dbraw/zinc/00/41/22/624004122.db2.gz IIIQXYANYHYUPB-UHFFFAOYSA-N 1 0 305.418 3.166 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877731853 624007800 /nfs/dbraw/zinc/00/78/00/624007800.db2.gz XIJIIVUQLLQYHP-CTYIDZIISA-N 1 0 320.433 3.094 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccccc1OCCCCO)c1ccccc1O ZINC000877755885 624022103 /nfs/dbraw/zinc/02/21/03/624022103.db2.gz QTVJOROLDRKODN-OAHLLOKOSA-N 1 0 315.413 3.394 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)c1O ZINC000877796330 624037163 /nfs/dbraw/zinc/03/71/63/624037163.db2.gz DDKSTYVBAKSYNF-GFCCVEGCSA-N 1 0 313.825 3.037 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](CCC(=O)OC)C2)c1O ZINC000877818074 624049270 /nfs/dbraw/zinc/04/92/70/624049270.db2.gz DORHLUUHKFRRCK-CQSZACIVSA-N 1 0 305.418 3.120 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c(O)c1 ZINC000877820323 624051963 /nfs/dbraw/zinc/05/19/63/624051963.db2.gz HDYSWXFOJDGFGE-SMDDNHRTSA-N 1 0 303.324 3.242 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC000877825391 624057855 /nfs/dbraw/zinc/05/78/55/624057855.db2.gz ZLCYKFPBEHERSJ-RISCZKNCSA-N 1 0 303.324 3.242 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000782291420 624234531 /nfs/dbraw/zinc/23/45/31/624234531.db2.gz SMIRCUJRFMDFNA-MRXNPFEDSA-N 1 0 319.408 3.400 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)c1O ZINC000782534417 624261194 /nfs/dbraw/zinc/26/11/94/624261194.db2.gz CPQAOZFCZTUHGA-GOSISDBHSA-N 1 0 307.434 3.212 20 10 DGCDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000782543088 624262037 /nfs/dbraw/zinc/26/20/37/624262037.db2.gz AWCHXHDMUZJYCJ-SNVBAGLBSA-N 1 0 305.296 3.188 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCN(C2CCC2)C1=O ZINC000878565694 624309516 /nfs/dbraw/zinc/30/95/16/624309516.db2.gz RCACNUUSJINXHJ-KRWDZBQOSA-N 1 0 316.445 3.148 20 10 DGCDRO COCCOc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000783505998 624359782 /nfs/dbraw/zinc/35/97/82/624359782.db2.gz YEPOTPMWMJKNLD-CQSZACIVSA-N 1 0 301.386 3.268 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)[C@@H](C)O1 ZINC000783539841 624363173 /nfs/dbraw/zinc/36/31/73/624363173.db2.gz DCEOFHVRXLQKBS-JHJVBQTASA-N 1 0 307.434 3.393 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H](CC(F)(F)F)C(C)C)cc1OC ZINC000783740676 624389511 /nfs/dbraw/zinc/38/95/11/624389511.db2.gz KNTPLFSTHOHVTL-NSHDSACASA-N 1 0 321.339 3.476 20 10 DGCDRO CCN(CCC[NH2+][C@@H](C)c1ccccc1O)CC(F)(F)F ZINC000879650817 624624462 /nfs/dbraw/zinc/62/44/62/624624462.db2.gz QWZPZTHYIUPHJO-LBPRGKRZSA-N 1 0 304.356 3.317 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1O ZINC000879651809 624624746 /nfs/dbraw/zinc/62/47/46/624624746.db2.gz LHVKVBWBSJJRPJ-KBXCAEBGSA-N 1 0 324.424 3.237 20 10 DGCDRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)sc1C ZINC000879651280 624624817 /nfs/dbraw/zinc/62/48/17/624624817.db2.gz PXCNXJZHDWYRFN-QWRGUYRKSA-N 1 0 319.430 3.143 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000879653990 624626369 /nfs/dbraw/zinc/62/63/69/624626369.db2.gz ZXCQMSJMXKTYFX-KBXIAJHMSA-N 1 0 304.434 3.221 20 10 DGCDRO Cc1cscc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785520920 624681407 /nfs/dbraw/zinc/68/14/07/624681407.db2.gz DRLHRGURLLEEPS-UHFFFAOYSA-N 1 0 320.433 3.322 20 10 DGCDRO COCC[N@H+](Cc1scnc1C)Cc1ccc(N(C)C)cc1 ZINC000785993246 624776261 /nfs/dbraw/zinc/77/62/61/624776261.db2.gz UOVTUYGAMDGSAL-UHFFFAOYSA-N 1 0 319.474 3.166 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)c1 ZINC000786861289 624959320 /nfs/dbraw/zinc/95/93/20/624959320.db2.gz UIMNOVUOKUGHEF-UGSOOPFHSA-N 1 0 301.386 3.267 20 10 DGCDRO CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)c1ccnn1C ZINC000788257568 625105552 /nfs/dbraw/zinc/10/55/52/625105552.db2.gz AHHXEVZGESLKGL-IUODEOHRSA-N 1 0 305.397 3.355 20 10 DGCDRO C[C@H]([NH2+]CCN1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788506557 625201576 /nfs/dbraw/zinc/20/15/76/625201576.db2.gz VYKLOIAZFUJDCU-NSHDSACASA-N 1 0 302.340 3.157 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000788515586 625204508 /nfs/dbraw/zinc/20/45/08/625204508.db2.gz KHLPXBRWJUDJRF-UHFFFAOYSA-N 1 0 310.401 3.334 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@]1(C)CCCO1 ZINC000788541038 625212151 /nfs/dbraw/zinc/21/21/51/625212151.db2.gz BDLOFLCMZZAGSM-QAPCUYQASA-N 1 0 320.502 3.287 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cn2ccccc2n1 ZINC000788583036 625219843 /nfs/dbraw/zinc/21/98/43/625219843.db2.gz ISHPAIXNGACCJB-CYBMUJFWSA-N 1 0 312.392 3.390 20 10 DGCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000130602043 625879240 /nfs/dbraw/zinc/87/92/40/625879240.db2.gz BGOLDTSIJUFFEU-BLLLJJGKSA-N 1 0 306.381 3.087 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000883078600 625917843 /nfs/dbraw/zinc/91/78/43/625917843.db2.gz WVCPLSHBJCPJEI-MBNYWOFBSA-N 1 0 317.426 3.140 20 10 DGCDRO COC1(CN(C)c2ccc(OCC[NH+](C)C)cc2)CCCCC1 ZINC000792175651 625920652 /nfs/dbraw/zinc/92/06/52/625920652.db2.gz XHFBYLNMNNHTFM-UHFFFAOYSA-N 1 0 320.477 3.413 20 10 DGCDRO CC[C@@]1([NH2+]Cc2cc(Br)cc(C)c2O)CCOC1 ZINC000792193344 625922810 /nfs/dbraw/zinc/92/28/10/625922810.db2.gz SYMRGLKVQZIXBK-CQSZACIVSA-N 1 0 314.223 3.122 20 10 DGCDRO C[NH+](C)CCc1ccccc1NCc1cc(F)cc(F)c1O ZINC000883099515 625927145 /nfs/dbraw/zinc/92/71/45/625927145.db2.gz XSXUUKNMOJQQHN-UHFFFAOYSA-N 1 0 306.356 3.387 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@H](CCO)c1ccccc1F ZINC000883152631 625945079 /nfs/dbraw/zinc/94/50/79/625945079.db2.gz BMISGFLYNUAKEF-OAHLLOKOSA-N 1 0 311.303 3.023 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@](C)(O)c1ccccc1 ZINC000883157947 625946890 /nfs/dbraw/zinc/94/68/90/625946890.db2.gz PHDVRSFOWDYLNR-GTNSWQLSSA-N 1 0 307.340 3.056 20 10 DGCDRO CC(C)[NH+]1CCC(CC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883195517 625966113 /nfs/dbraw/zinc/96/61/13/625966113.db2.gz WEQQIVRAIBKWBM-UHFFFAOYSA-N 1 0 312.404 3.271 20 10 DGCDRO Cc1cnn(C)c1C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC000796259832 626032986 /nfs/dbraw/zinc/03/29/86/626032986.db2.gz YTSCSNCLNGJJLH-UHFFFAOYSA-N 1 0 322.456 3.468 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(C)(C)O ZINC000796277837 626034790 /nfs/dbraw/zinc/03/47/90/626034790.db2.gz JHEUCNPDNAXVLJ-MRXNPFEDSA-N 1 0 324.468 3.498 20 10 DGCDRO OC1(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCC1 ZINC000796296671 626036187 /nfs/dbraw/zinc/03/61/87/626036187.db2.gz DLGLBMFHHVRMMU-UHFFFAOYSA-N 1 0 322.452 3.254 20 10 DGCDRO CC[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796311478 626037668 /nfs/dbraw/zinc/03/76/68/626037668.db2.gz GVVASGXJKFICHJ-HXUWFJFHSA-N 1 0 324.468 3.500 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000796447912 626050766 /nfs/dbraw/zinc/05/07/66/626050766.db2.gz BDEVFLSSNJFOFD-IBGZPJMESA-N 1 0 316.420 3.277 20 10 DGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000796452880 626052022 /nfs/dbraw/zinc/05/20/22/626052022.db2.gz ZYHSMLPDVBGREA-KRWDZBQOSA-N 1 0 305.805 3.431 20 10 DGCDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000796480082 626054863 /nfs/dbraw/zinc/05/48/63/626054863.db2.gz CAUCIFYFDBPWRW-LIRRHRJNSA-N 1 0 316.420 3.412 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000797418758 626141493 /nfs/dbraw/zinc/14/14/93/626141493.db2.gz VQGYCCGUBOSNMC-GJYPPUQNSA-N 1 0 319.445 3.167 20 10 DGCDRO FC1(F)CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000797467951 626145257 /nfs/dbraw/zinc/14/52/57/626145257.db2.gz DBGSKPDBZZWWGY-OAHLLOKOSA-N 1 0 310.388 3.048 20 10 DGCDRO CSc1ccc(CC[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000797878087 626176579 /nfs/dbraw/zinc/17/65/79/626176579.db2.gz LVPDFYQRQASDKQ-UHFFFAOYSA-N 1 0 317.410 3.175 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000798002825 626188721 /nfs/dbraw/zinc/18/87/21/626188721.db2.gz SZPQTQJSTRUDTJ-OPDFLTKYSA-N 1 0 321.392 3.401 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2(C(=O)OC)CCCC2)cc1 ZINC000799340349 626292668 /nfs/dbraw/zinc/29/26/68/626292668.db2.gz APIMPPMCPBRRRF-UHFFFAOYSA-N 1 0 318.461 3.356 20 10 DGCDRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000799350586 626294459 /nfs/dbraw/zinc/29/44/59/626294459.db2.gz AAVNYZYBBKRBRO-MRXNPFEDSA-N 1 0 305.805 3.129 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)Cc2cnc(C(C)C)nc2)c1O ZINC000799581298 626311323 /nfs/dbraw/zinc/31/13/23/626311323.db2.gz KWLLRIDUZFCHLO-UHFFFAOYSA-N 1 0 315.417 3.255 20 10 DGCDRO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000799732528 626325769 /nfs/dbraw/zinc/32/57/69/626325769.db2.gz ZZSVFPKFKOHVBS-VQIMIIECSA-N 1 0 312.457 3.397 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c1 ZINC000799732430 626325917 /nfs/dbraw/zinc/32/59/17/626325917.db2.gz YOETUJGNJQBMAD-ZBFHGGJFSA-N 1 0 315.413 3.045 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000800478658 626363632 /nfs/dbraw/zinc/36/36/32/626363632.db2.gz NSPDXUSOPODRAC-GOSISDBHSA-N 1 0 302.462 3.500 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@H](C)[S@@](C)=O)c1O ZINC000808706798 626372961 /nfs/dbraw/zinc/37/29/61/626372961.db2.gz VCDXELMWIKGAAT-ZHYXMNDGSA-N 1 0 303.855 3.162 20 10 DGCDRO CC1=C(c2ccco2)C[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000800867412 626380593 /nfs/dbraw/zinc/38/05/93/626380593.db2.gz XMGPFZQKRLBMRC-UHFFFAOYSA-N 1 0 313.353 3.393 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000800968479 626387092 /nfs/dbraw/zinc/38/70/92/626387092.db2.gz OUARFKQFNUVGHX-RTBURBONSA-N 1 0 300.446 3.192 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CC[C@H]2C2CCC2)ccc1N1CCOCC1 ZINC000800968132 626387209 /nfs/dbraw/zinc/38/72/09/626387209.db2.gz XQAHQCOIJXQIMH-WMZOPIPTSA-N 1 0 318.436 3.331 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000801546206 626409260 /nfs/dbraw/zinc/40/92/60/626409260.db2.gz JPNLMGFHLYBHII-IYBDPMFKSA-N 1 0 318.461 3.394 20 10 DGCDRO CCCC[N@H+](CC(=O)N1CCCCCC1)Cc1ccccc1O ZINC000801597511 626411733 /nfs/dbraw/zinc/41/17/33/626411733.db2.gz IZJMCWSEXXWRQJ-UHFFFAOYSA-N 1 0 318.461 3.397 20 10 DGCDRO CCCC[N@H+](CC(=O)NC1CCCC1)Cc1ccccc1O ZINC000801597988 626411741 /nfs/dbraw/zinc/41/17/41/626411741.db2.gz SCYYJWPAPVCCOM-UHFFFAOYSA-N 1 0 304.434 3.053 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N[C@@H](C)CC ZINC000801598172 626411922 /nfs/dbraw/zinc/41/19/22/626411922.db2.gz WOONZYLKLBJXSM-LSDHHAIUSA-N 1 0 306.450 3.298 20 10 DGCDRO CCCC[N@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1ccccc1O ZINC000802657395 626565269 /nfs/dbraw/zinc/56/52/69/626565269.db2.gz CCEFHNKWCFCFKK-UHFFFAOYSA-N 1 0 316.401 3.309 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCOC3(CCOCC3)C2)cc1C(C)C ZINC000131218222 626608339 /nfs/dbraw/zinc/60/83/39/626608339.db2.gz GXNSHZNLJVWXCC-UHFFFAOYSA-N 1 0 319.445 3.205 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cc(F)ccc1O ZINC000883263074 626628099 /nfs/dbraw/zinc/62/80/99/626628099.db2.gz GEFWILZLKFFQBX-HIFRSBDPSA-N 1 0 323.408 3.158 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000883263426 626628729 /nfs/dbraw/zinc/62/87/29/626628729.db2.gz SKCYKFLMAYHCRJ-HOTGVXAUSA-N 1 0 319.445 3.327 20 10 DGCDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000883319535 626645913 /nfs/dbraw/zinc/64/59/13/626645913.db2.gz FUYZCUMFYCQPPT-JBLDHEPKSA-N 1 0 314.223 3.230 20 10 DGCDRO OC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000131557781 626651677 /nfs/dbraw/zinc/65/16/77/626651677.db2.gz AQVYNBTVGFUXPG-FQEVSTJZSA-N 1 0 324.468 3.370 20 10 DGCDRO CCc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000883385240 626668663 /nfs/dbraw/zinc/66/86/63/626668663.db2.gz IFJNRGHNCBGFTD-UHFFFAOYSA-N 1 0 310.445 3.008 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000132090635 626698513 /nfs/dbraw/zinc/69/85/13/626698513.db2.gz GELOWOKUIHKCPX-UXHICEINSA-N 1 0 312.457 3.397 20 10 DGCDRO CC(C)[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCCO1 ZINC000840094001 626756226 /nfs/dbraw/zinc/75/62/26/626756226.db2.gz DXEGJTCBHXERDV-SFHVURJKSA-N 1 0 300.402 3.187 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCC2(C)C)c1O ZINC000808421331 626822648 /nfs/dbraw/zinc/82/26/48/626822648.db2.gz CBHLPFOEQGJTQE-LBPRGKRZSA-N 1 0 314.223 3.442 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)cc1F ZINC000808452708 626826947 /nfs/dbraw/zinc/82/69/47/626826947.db2.gz OMZFPPUHHLCHLK-OAHLLOKOSA-N 1 0 318.367 3.124 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)c1O ZINC000808695044 626850656 /nfs/dbraw/zinc/85/06/56/626850656.db2.gz DTJVQXRVVWZUDU-GXTWGEPZSA-N 1 0 313.825 3.200 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c1O ZINC000808701822 626851009 /nfs/dbraw/zinc/85/10/09/626851009.db2.gz JWKLOHAFBAEILM-MKBNYLNASA-N 1 0 308.853 3.487 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1O ZINC000808707856 626851856 /nfs/dbraw/zinc/85/18/56/626851856.db2.gz AXQQACXKCGBOIN-PSASIEDQSA-N 1 0 311.731 3.318 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000808708571 626852173 /nfs/dbraw/zinc/85/21/73/626852173.db2.gz NHHFOJZAXVZSFM-UFBFGSQYSA-N 1 0 311.731 3.318 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)c1ccccc1O ZINC000808724515 626854356 /nfs/dbraw/zinc/85/43/56/626854356.db2.gz WKRRTXGSWFMMPM-XOYOTBSWSA-N 1 0 316.445 3.080 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c(O)cc1C ZINC000840146702 626865173 /nfs/dbraw/zinc/86/51/73/626865173.db2.gz ZRKZVPDOVXPTJY-KRWDZBQOSA-N 1 0 307.459 3.428 20 10 DGCDRO CC(C)(C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840148816 626868637 /nfs/dbraw/zinc/86/86/37/626868637.db2.gz ANTOCHDWFMQVFW-WBMJQRKESA-N 1 0 305.418 3.076 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)OC(C)C)CC2)cc1C ZINC000884476251 626886980 /nfs/dbraw/zinc/88/69/80/626886980.db2.gz JNRBKJBTXXHHOZ-UHFFFAOYSA-N 1 0 305.418 3.173 20 10 DGCDRO C[C@@]1(O)CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809593645 626924036 /nfs/dbraw/zinc/92/40/36/626924036.db2.gz PSEZHDCLXIBFKV-OAQYLSRUSA-N 1 0 322.452 3.206 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1 ZINC000809700558 626938895 /nfs/dbraw/zinc/93/88/95/626938895.db2.gz JCHCAWHNDHMRSM-GDBMZVCRSA-N 1 0 307.434 3.306 20 10 DGCDRO Cc1cc(Cl)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000809704152 626939554 /nfs/dbraw/zinc/93/95/54/626939554.db2.gz WEXZOJCVBYYUMK-BBRMVZONSA-N 1 0 308.853 3.413 20 10 DGCDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000809711371 626939840 /nfs/dbraw/zinc/93/98/40/626939840.db2.gz VOZSLGKPDUQUGK-MRXNPFEDSA-N 1 0 313.397 3.444 20 10 DGCDRO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(C)c(C)cc1O ZINC000809713815 626939918 /nfs/dbraw/zinc/93/99/18/626939918.db2.gz MVUSXDDTXTUCSF-UHFFFAOYSA-N 1 0 318.461 3.234 20 10 DGCDRO COc1ccc(O)c(C[N@H+](CCN(C)C)CC2CCCCC2)c1 ZINC000809737170 626943613 /nfs/dbraw/zinc/94/36/13/626943613.db2.gz PWIJMIQJDQGJDJ-UHFFFAOYSA-N 1 0 320.477 3.345 20 10 DGCDRO COc1cccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)c1O ZINC000809741350 626944715 /nfs/dbraw/zinc/94/47/15/626944715.db2.gz NHXUGDJWPQTZKE-ONEGZZNKSA-N 1 0 305.324 3.482 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)cc1F ZINC000809743043 626944871 /nfs/dbraw/zinc/94/48/71/626944871.db2.gz JQCROTHRAVPVDX-AWEZNQCLSA-N 1 0 322.346 3.075 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000809748618 626946154 /nfs/dbraw/zinc/94/61/54/626946154.db2.gz ADBYJRHOXXGUPD-OAHLLOKOSA-N 1 0 305.418 3.254 20 10 DGCDRO c1cncc(C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000809762834 626948607 /nfs/dbraw/zinc/94/86/07/626948607.db2.gz BSZBKSXGTXNNEM-UHFFFAOYSA-N 1 0 323.440 3.083 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1F ZINC000809766501 626949236 /nfs/dbraw/zinc/94/92/36/626949236.db2.gz ZHYCBLLMVJZXTL-MAUKXSAKSA-N 1 0 321.484 3.444 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2ccccc2N(C)C)c(O)c1 ZINC000809788152 626953795 /nfs/dbraw/zinc/95/37/95/626953795.db2.gz OJPDRECPIGQPOP-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO COc1cccc(C2(C[NH2+]Cc3c(O)cccc3OC)CC2)c1 ZINC000810157292 626982638 /nfs/dbraw/zinc/98/26/38/626982638.db2.gz NZSXCRVJAZGKCV-UHFFFAOYSA-N 1 0 313.397 3.231 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COc3c(C)cccc3C2)c1 ZINC000810177679 626984127 /nfs/dbraw/zinc/98/41/27/626984127.db2.gz BZOLLFRAMCBASJ-INIZCTEOSA-N 1 0 313.397 3.193 20 10 DGCDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000810174275 626984356 /nfs/dbraw/zinc/98/43/56/626984356.db2.gz QVHXPKSPUUHHNM-KGLIPLIRSA-N 1 0 321.421 3.098 20 10 DGCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C2 ZINC000810178914 626984999 /nfs/dbraw/zinc/98/49/99/626984999.db2.gz ZCICPJNPKTWBDP-MRXNPFEDSA-N 1 0 314.404 3.293 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810215632 626988959 /nfs/dbraw/zinc/98/89/59/626988959.db2.gz ISIHBVNEWHNGDW-WCQYABFASA-N 1 0 302.340 3.156 20 10 DGCDRO CC[C@H]([NH2+]CC1(CO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810220612 626989341 /nfs/dbraw/zinc/98/93/41/626989341.db2.gz ATVQJGYKUVFMEJ-LBPRGKRZSA-N 1 0 303.324 3.224 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ncccc2N(C)C)c2c1c(F)ccc2O ZINC000810248898 626992677 /nfs/dbraw/zinc/99/26/77/626992677.db2.gz IIBLLMRYDCJUGO-YPMHNXCESA-N 1 0 315.392 3.330 20 10 DGCDRO COCC[C@H](COC)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000810257736 626993913 /nfs/dbraw/zinc/99/39/13/626993913.db2.gz UYDTWHWVKAAAID-WCQYABFASA-N 1 0 301.814 3.056 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2C[C@]23CCOC3)cc1 ZINC000885940447 627065137 /nfs/dbraw/zinc/06/51/37/627065137.db2.gz JQTKFQZTZMLXTE-MJGOQNOKSA-N 1 0 302.462 3.391 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@H](OC)CC3)C2)cc1 ZINC000886158007 627115125 /nfs/dbraw/zinc/11/51/25/627115125.db2.gz PMRKMWHYEVBRSH-BQFCYCMXSA-N 1 0 318.461 3.211 20 10 DGCDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000886280362 627130262 /nfs/dbraw/zinc/13/02/62/627130262.db2.gz CSLQMHSXQPWMCU-MWHZBGGUSA-N 1 0 314.473 3.029 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c(O)c1 ZINC000886317928 627136289 /nfs/dbraw/zinc/13/62/89/627136289.db2.gz FAYJVLXGIUCFTB-INIZCTEOSA-N 1 0 305.418 3.230 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnn(C)c1 ZINC000886519461 627156259 /nfs/dbraw/zinc/15/62/59/627156259.db2.gz VPNDECWXDGAINC-LJQANCHMSA-N 1 0 312.461 3.289 20 10 DGCDRO CC(C)[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@H](O)C(F)(F)F ZINC000886644382 627179115 /nfs/dbraw/zinc/17/91/15/627179115.db2.gz BNMYGASAEOIUKK-JCOFBHIZSA-N 1 0 309.303 3.130 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c(O)c1 ZINC000886677109 627187907 /nfs/dbraw/zinc/18/79/07/627187907.db2.gz RIJQBJRTSMLKFD-PBHICJAKSA-N 1 0 317.404 3.402 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ncccn3)C2)cc1 ZINC000886685983 627189707 /nfs/dbraw/zinc/18/97/07/627189707.db2.gz HTBAUVXVRDTDDA-KRWDZBQOSA-N 1 0 310.445 3.312 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c(O)c1C ZINC000886764201 627201664 /nfs/dbraw/zinc/20/16/64/627201664.db2.gz NLNDPXAOIVLZQT-FJXLLPKBSA-N 1 0 319.445 3.386 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1cc(F)ccc1O ZINC000886771439 627202945 /nfs/dbraw/zinc/20/29/45/627202945.db2.gz HWRHXCCJGPXAGR-CVRPBIKUSA-N 1 0 323.408 3.155 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1F ZINC000811518806 627286832 /nfs/dbraw/zinc/28/68/32/627286832.db2.gz PDRVANVDLKJNCF-QZTJIDSGSA-N 1 0 318.436 3.425 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1 ZINC000811519572 627286978 /nfs/dbraw/zinc/28/69/78/627286978.db2.gz YKXQJBMVPHWYTH-SFHVURJKSA-N 1 0 304.478 3.420 20 10 DGCDRO CCCN(CC[NH+]1CCCCCC1)C(=O)C1=CC(=O)CS1 ZINC000811543362 627289997 /nfs/dbraw/zinc/28/99/97/627289997.db2.gz SPYLDLWBBWQFGL-UHFFFAOYSA-N 1 0 310.463 3.182 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](n3cc(Cl)cn3)C1)CCC2 ZINC000811802364 627322416 /nfs/dbraw/zinc/32/24/16/627322416.db2.gz XGDVQJYHICFYIF-MRXNPFEDSA-N 1 0 317.820 3.178 20 10 DGCDRO CC(C)[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCOC1 ZINC000812292325 627368556 /nfs/dbraw/zinc/36/85/56/627368556.db2.gz RTXMFVMIRMSTKN-OAHLLOKOSA-N 1 0 307.434 3.395 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c1 ZINC000813330617 627478386 /nfs/dbraw/zinc/47/83/86/627478386.db2.gz BDIIIEGQPXTCLS-LBPRGKRZSA-N 1 0 303.406 3.203 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000813330716 627478746 /nfs/dbraw/zinc/47/87/46/627478746.db2.gz FAPLIPBXFCTKAG-LLVKDONJSA-N 1 0 303.406 3.272 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc3ccc(C)cn23)c1 ZINC000813332093 627478899 /nfs/dbraw/zinc/47/88/99/627478899.db2.gz ZYXCXJNYFWPSCN-ZDUSSCGKSA-N 1 0 311.385 3.208 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)c1 ZINC000813881866 627518994 /nfs/dbraw/zinc/51/89/94/627518994.db2.gz WPHGQQXLECNRQR-AWEZNQCLSA-N 1 0 322.408 3.403 20 10 DGCDRO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1O ZINC000814178352 627547336 /nfs/dbraw/zinc/54/73/36/627547336.db2.gz MZDYZQBOQGIRAV-CQSZACIVSA-N 1 0 300.377 3.242 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2-c2ccnn2C)cc1 ZINC000814289757 627556794 /nfs/dbraw/zinc/55/67/94/627556794.db2.gz UNKQAQZRUXVMQB-UHFFFAOYSA-N 1 0 320.440 3.443 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCC3CCOCC3)CC2)cc1 ZINC000814618951 627580090 /nfs/dbraw/zinc/58/00/90/627580090.db2.gz JADCGEATGGPDLH-UHFFFAOYSA-N 1 0 318.461 3.024 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)ccc1N(C)C ZINC000815021816 627617385 /nfs/dbraw/zinc/61/73/85/627617385.db2.gz UHSHBUDFUSJRKL-KRWDZBQOSA-N 1 0 312.461 3.174 20 10 DGCDRO Cc1cc(C[N@H+](CCCO)Cc2ccccc2)ccc1N(C)C ZINC000815062184 627621432 /nfs/dbraw/zinc/62/14/32/627621432.db2.gz OTHUENGMVMEZSM-UHFFFAOYSA-N 1 0 312.457 3.446 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1N(C)C ZINC000815083902 627624196 /nfs/dbraw/zinc/62/41/96/627624196.db2.gz IIGPWNXWMAFHNR-SJLPKXTDSA-N 1 0 304.478 3.290 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1O ZINC000815083372 627624503 /nfs/dbraw/zinc/62/45/03/627624503.db2.gz OIXRALKKSVCWOL-WBVHZDCISA-N 1 0 303.377 3.176 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](CCO)Cc2ccc(C)o2)cc1 ZINC000815106684 627627841 /nfs/dbraw/zinc/62/78/41/627627841.db2.gz ZQFRTFJKQYZTJT-UHFFFAOYSA-N 1 0 302.418 3.039 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)ccc1N(C)C ZINC000815117602 627628860 /nfs/dbraw/zinc/62/88/60/627628860.db2.gz ADMDMEQBJWGDTO-MRXNPFEDSA-N 1 0 318.852 3.358 20 10 DGCDRO CCc1nocc1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000815121277 627630610 /nfs/dbraw/zinc/63/06/10/627630610.db2.gz IYWAIKYCUGRUFS-UHFFFAOYSA-N 1 0 315.417 3.004 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)ccc1OC ZINC000815148398 627637740 /nfs/dbraw/zinc/63/77/40/627637740.db2.gz VHQUORIRJXCLLH-ZDUSSCGKSA-N 1 0 316.401 3.183 20 10 DGCDRO C[C@H]1CC2(CC([NH2+]Cc3ccc4c(c3)CCCN4C)C2)CO1 ZINC000924871953 627688973 /nfs/dbraw/zinc/68/89/73/627688973.db2.gz PNRTVAWZUBHFID-STJZUHDESA-N 1 0 300.446 3.116 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C[NH+](C)C ZINC000815627811 627692822 /nfs/dbraw/zinc/69/28/22/627692822.db2.gz KEFQACVOZNQIIL-QWRGUYRKSA-N 1 0 304.356 3.259 20 10 DGCDRO c1csc(SCCC[NH2+][C@H](C2CC2)C2CCOCC2)n1 ZINC000925104302 627708847 /nfs/dbraw/zinc/70/88/47/627708847.db2.gz XINJQRUONHDMGE-CQSZACIVSA-N 1 0 312.504 3.420 20 10 DGCDRO CCCNC(=O)C[N@H+](CCC)Cc1ccc2ccccc2c1O ZINC000816494352 627797090 /nfs/dbraw/zinc/79/70/90/627797090.db2.gz IAVFEEHPDADWDT-UHFFFAOYSA-N 1 0 314.429 3.284 20 10 DGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816514726 627800078 /nfs/dbraw/zinc/80/00/78/627800078.db2.gz FXVVOTZUBYVTHP-XHDPSFHLSA-N 1 0 314.832 3.347 20 10 DGCDRO Oc1c(C[NH2+]CCCOC[C@H]2CCCO2)ccc2ccccc21 ZINC000816530621 627803188 /nfs/dbraw/zinc/80/31/88/627803188.db2.gz OQHLOLLYTMRVEQ-QGZVFWFLSA-N 1 0 315.413 3.221 20 10 DGCDRO CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816548485 627806172 /nfs/dbraw/zinc/80/61/72/627806172.db2.gz JHUZFUGBXDJXIC-UHFFFAOYSA-N 1 0 300.805 3.006 20 10 DGCDRO Oc1c(C[NH2+]CCCOC[C@H]2CCOC2)ccc2ccccc21 ZINC000816553309 627806713 /nfs/dbraw/zinc/80/67/13/627806713.db2.gz PVRWFWYNACXTKF-OAHLLOKOSA-N 1 0 315.413 3.078 20 10 DGCDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816568529 627809226 /nfs/dbraw/zinc/80/92/26/627809226.db2.gz JDNRCHWPIFPWSQ-OLZOCXBDSA-N 1 0 301.386 3.223 20 10 DGCDRO Cc1ccc(C[N@H+](CCO)Cc2ccc3ccccc3c2O)o1 ZINC000816596718 627812481 /nfs/dbraw/zinc/81/24/81/627812481.db2.gz NLSRXOMWBBOAOM-UHFFFAOYSA-N 1 0 311.381 3.441 20 10 DGCDRO O=c1[nH]ccc2c1C[N@H+](Cc1ccc3ccccc3c1O)CC2 ZINC000816591620 627812576 /nfs/dbraw/zinc/81/25/76/627812576.db2.gz JEWPSKKXTKZFAH-UHFFFAOYSA-N 1 0 306.365 3.204 20 10 DGCDRO CC(C)[C@@H]1[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000816624617 627816300 /nfs/dbraw/zinc/81/63/00/627816300.db2.gz AXIZAYILAOOKJO-SFHVURJKSA-N 1 0 302.462 3.390 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1O ZINC000816667291 627823288 /nfs/dbraw/zinc/82/32/88/627823288.db2.gz IZJNXFJKCJTHPR-MRXNPFEDSA-N 1 0 305.418 3.182 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c(C(F)(F)F)c1 ZINC000816667629 627823747 /nfs/dbraw/zinc/82/37/47/627823747.db2.gz RWFKVYYEUDQBAY-CQSZACIVSA-N 1 0 316.367 3.118 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)ccc1N1CCCCC1 ZINC000817281897 627876919 /nfs/dbraw/zinc/87/69/19/627876919.db2.gz SFJVYKRUDQOGNW-APWZRJJASA-N 1 0 316.489 3.436 20 10 DGCDRO CC[C@H]1C[NH+](Cc2c(O)ccc3ccncc32)C[C@H](CC)O1 ZINC000817366199 627890043 /nfs/dbraw/zinc/89/00/43/627890043.db2.gz PZYUDUOTMGBCHZ-GJZGRUSLSA-N 1 0 300.402 3.330 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H]2CC23CCSCC3)c1O ZINC000817411244 627895048 /nfs/dbraw/zinc/89/50/48/627895048.db2.gz QDNPXDLYRWPHLY-CQSZACIVSA-N 1 0 307.459 3.414 20 10 DGCDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1O ZINC000817412427 627896406 /nfs/dbraw/zinc/89/64/06/627896406.db2.gz KYLFNLAHHLOWRH-HIFRSBDPSA-N 1 0 305.418 3.334 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[N@@H+]1C ZINC000817417373 627897195 /nfs/dbraw/zinc/89/71/95/627897195.db2.gz KVKBESRJLVMQBL-LJQANCHMSA-N 1 0 301.478 3.203 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CC(SC)C3)C2)cc1 ZINC000926614675 627921880 /nfs/dbraw/zinc/92/18/80/627921880.db2.gz ZXQWJZKSKHEHGG-TUBUQKNSSA-N 1 0 306.475 3.005 20 10 DGCDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938381 627966445 /nfs/dbraw/zinc/96/64/45/627966445.db2.gz JQZDRKURRBBHRH-PMACEKPBSA-N 1 0 309.457 3.338 20 10 DGCDRO CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817937308 627966629 /nfs/dbraw/zinc/96/66/29/627966629.db2.gz WGHCPYABENYWAY-LBPRGKRZSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1 ZINC000817938567 627966799 /nfs/dbraw/zinc/96/67/99/627966799.db2.gz NGKWQHKPIXQQLN-XIKOKIGWSA-N 1 0 319.399 3.381 20 10 DGCDRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817938656 627967689 /nfs/dbraw/zinc/96/76/89/627967689.db2.gz OYUOHGYPLIACFH-BZNIZROVSA-N 1 0 318.490 3.177 20 10 DGCDRO Cc1cc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cs1 ZINC000817940001 627967804 /nfs/dbraw/zinc/96/78/04/627967804.db2.gz DSRDFWRRSXIWIV-GUYCJALGSA-N 1 0 303.475 3.473 20 10 DGCDRO Cc1cc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)oc1C ZINC000817941877 627968331 /nfs/dbraw/zinc/96/83/31/627968331.db2.gz LHYQUQDMFGWJEB-GUYCJALGSA-N 1 0 301.434 3.313 20 10 DGCDRO CCc1cccnc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942455 627970023 /nfs/dbraw/zinc/97/00/23/627970023.db2.gz OYBROFNUUJBTON-KBXCAEBGSA-N 1 0 312.461 3.061 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817946574 627970431 /nfs/dbraw/zinc/97/04/31/627970431.db2.gz ZWSKCESMLDWQRJ-VHSXEESVSA-N 1 0 303.233 3.349 20 10 DGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCNC1CC1 ZINC000817953354 627973418 /nfs/dbraw/zinc/97/34/18/627973418.db2.gz LDRPMVIVCWTVBI-IBGZPJMESA-N 1 0 310.441 3.408 20 10 DGCDRO CC[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817953813 627973566 /nfs/dbraw/zinc/97/35/66/627973566.db2.gz RSMBPXVOTJZVLA-WCQYABFASA-N 1 0 302.340 3.204 20 10 DGCDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c(C)c1OC ZINC000817957439 627974102 /nfs/dbraw/zinc/97/41/02/627974102.db2.gz MEIYFWKQEJWEBE-CQSZACIVSA-N 1 0 314.429 3.488 20 10 DGCDRO Cc1c([C@H](C)[NH2+]CCc2ccc(N)cc2)nnn1-c1ccccc1 ZINC000817955955 627974164 /nfs/dbraw/zinc/97/41/64/627974164.db2.gz MCIUZHVOFQUDHF-AWEZNQCLSA-N 1 0 321.428 3.051 20 10 DGCDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)c(C)c1OC ZINC000817957430 627974246 /nfs/dbraw/zinc/97/42/46/627974246.db2.gz MEIYFWKQEJWEBE-AWEZNQCLSA-N 1 0 314.429 3.488 20 10 DGCDRO COc1ncc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1Cl ZINC000817958503 627975089 /nfs/dbraw/zinc/97/50/89/627975089.db2.gz WMPAMLOMWZSPHZ-LLVKDONJSA-N 1 0 305.809 3.219 20 10 DGCDRO C[C@@H](NC[C@H]([NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965475 627977456 /nfs/dbraw/zinc/97/74/56/627977456.db2.gz RKRBWKBORRVFBD-BEFAXECRSA-N 1 0 301.478 3.455 20 10 DGCDRO C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817967170 627977658 /nfs/dbraw/zinc/97/76/58/627977658.db2.gz DLZXFTVPNUESFY-VIFPVBQESA-N 1 0 301.217 3.269 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817971806 627979746 /nfs/dbraw/zinc/97/97/46/627979746.db2.gz QDQJFYTXGFMRHY-UTLUCORTSA-N 1 0 303.233 3.490 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000817973356 627980083 /nfs/dbraw/zinc/98/00/83/627980083.db2.gz DOBHJONLZKNNOC-FOIQADDNSA-N 1 0 309.457 3.290 20 10 DGCDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817972074 627980330 /nfs/dbraw/zinc/98/03/30/627980330.db2.gz JOAFMCDLEPTMFD-HUUCEWRRSA-N 1 0 307.457 3.465 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1cc(F)ccc1O ZINC000926919821 627981194 /nfs/dbraw/zinc/98/11/94/627981194.db2.gz GCACKIPEOJFHFH-PWSUYJOCSA-N 1 0 320.330 3.209 20 10 DGCDRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCCCC2)cc1 ZINC000817979817 627981852 /nfs/dbraw/zinc/98/18/52/627981852.db2.gz OVHAJPUYLDNADJ-PBHICJAKSA-N 1 0 323.431 3.325 20 10 DGCDRO C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984423 627983064 /nfs/dbraw/zinc/98/30/64/627983064.db2.gz SLBKMVSDDADFRI-SECBINFHSA-N 1 0 303.233 3.492 20 10 DGCDRO CCC[C@H](O)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000927014498 627997456 /nfs/dbraw/zinc/99/74/56/627997456.db2.gz CGXVKACOGDICPE-PWSUYJOCSA-N 1 0 316.239 3.356 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000818220836 628006000 /nfs/dbraw/zinc/00/60/00/628006000.db2.gz MUCJJQNNPURJJC-AWEZNQCLSA-N 1 0 306.475 3.007 20 10 DGCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCCN4C)C[C@H]2C1 ZINC000818330181 628013944 /nfs/dbraw/zinc/01/39/44/628013944.db2.gz PDUACIKXCWVXLC-MKQMEDFFSA-N 1 0 314.473 3.362 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccco3)C2)cc1 ZINC000818344640 628016649 /nfs/dbraw/zinc/01/66/49/628016649.db2.gz PMWYQEMDVSGDOX-LSDHHAIUSA-N 1 0 300.402 3.465 20 10 DGCDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000818349222 628017195 /nfs/dbraw/zinc/01/71/95/628017195.db2.gz DMLKXXGCJIXPRE-CYBMUJFWSA-N 1 0 321.442 3.021 20 10 DGCDRO O[C@@H](C[NH2+]CCCSc1nccs1)c1ccccc1F ZINC000819064270 628084995 /nfs/dbraw/zinc/08/49/95/628084995.db2.gz VLXDELROSFBWGB-ZDUSSCGKSA-N 1 0 312.435 3.088 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](CCO)C2CC2)cc1 ZINC000823399458 628557063 /nfs/dbraw/zinc/55/70/63/628557063.db2.gz DXOYMUOEAKZIAJ-UHFFFAOYSA-N 1 0 316.470 3.341 20 10 DGCDRO C[N@H+](Cc1cnn2c1CCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000824474915 628664001 /nfs/dbraw/zinc/66/40/01/628664001.db2.gz WCJMZYSKEHPMAQ-UHFFFAOYSA-N 1 0 324.472 3.452 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H](Cc2ccccc2)OC)c(O)c1 ZINC000824589165 628674432 /nfs/dbraw/zinc/67/44/32/628674432.db2.gz BRGDPIQNMNRZQV-SFHVURJKSA-N 1 0 315.413 3.138 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000824596177 628675342 /nfs/dbraw/zinc/67/53/42/628675342.db2.gz CDOPXJUNSOYEHH-GFCCVEGCSA-N 1 0 305.809 3.457 20 10 DGCDRO CS[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000824683844 628683736 /nfs/dbraw/zinc/68/37/36/628683736.db2.gz XKEHJTKLJLDREA-GFCCVEGCSA-N 1 0 316.264 3.400 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000824695702 628684941 /nfs/dbraw/zinc/68/49/41/628684941.db2.gz BHFCFEKFGLCFBD-ZHALLVOQSA-N 1 0 319.445 3.306 20 10 DGCDRO CC[C@@](C)(C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000824743642 628688891 /nfs/dbraw/zinc/68/88/91/628688891.db2.gz KASKMAFBWKAGOH-SFHVURJKSA-N 1 0 306.450 3.069 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1F ZINC000824750251 628689441 /nfs/dbraw/zinc/68/94/41/628689441.db2.gz FWQFBFJSUULGSI-HNNXBMFYSA-N 1 0 306.425 3.331 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(OC)c2ccccc2)c1 ZINC000824780552 628692946 /nfs/dbraw/zinc/69/29/46/628692946.db2.gz SSLAPDCPGHRWNY-SFHVURJKSA-N 1 0 301.386 3.052 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c(O)c1 ZINC000824845362 628699239 /nfs/dbraw/zinc/69/92/39/628699239.db2.gz KFDCQLAXCQJSRU-AEFFLSMTSA-N 1 0 309.450 3.170 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000824893096 628703632 /nfs/dbraw/zinc/70/36/32/628703632.db2.gz KBPIJTWSVXRKCF-SJORKVTESA-N 1 0 301.430 3.482 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@@H](C)O ZINC000824922234 628707193 /nfs/dbraw/zinc/70/71/93/628707193.db2.gz YJCAYKQJYYWYDK-KDOFPFPSSA-N 1 0 315.413 3.220 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1C ZINC000824949408 628710215 /nfs/dbraw/zinc/71/02/15/628710215.db2.gz YCBDHSBKNKXZPC-HKUYNNGSSA-N 1 0 312.413 3.409 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000824955235 628710943 /nfs/dbraw/zinc/71/09/43/628710943.db2.gz VKPYVNXDBZEBRT-WBVHZDCISA-N 1 0 318.804 3.451 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1O ZINC000825030256 628718393 /nfs/dbraw/zinc/71/83/93/628718393.db2.gz HTFOXSHMUSFCHN-WBVHZDCISA-N 1 0 317.429 3.208 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](c2ccco2)N(C)C)cc1Cl ZINC000825051263 628721330 /nfs/dbraw/zinc/72/13/30/628721330.db2.gz ZCHRDCARIFWQTP-CQSZACIVSA-N 1 0 308.809 3.340 20 10 DGCDRO COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825130727 628731359 /nfs/dbraw/zinc/73/13/59/628731359.db2.gz DSMMVJNWTZVRMF-MRXNPFEDSA-N 1 0 321.804 3.186 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000825138814 628731627 /nfs/dbraw/zinc/73/16/27/628731627.db2.gz XVUFQNOEPBLECQ-YZGWKJHDSA-N 1 0 314.473 3.174 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)N2CCCC[C@@H]2C)cc1Cl ZINC000825191109 628736316 /nfs/dbraw/zinc/73/63/16/628736316.db2.gz WAUDPNASUVRECJ-STQMWFEESA-N 1 0 324.852 3.233 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(OCCOC(C)C)CC2)c1O ZINC000825208018 628737731 /nfs/dbraw/zinc/73/77/31/628737731.db2.gz QCRKNMZMGWVHHK-UHFFFAOYSA-N 1 0 307.434 3.107 20 10 DGCDRO CCOCc1cc(CNCC[N@@H+]2CCCC2(C)C)ccc1OC ZINC000825327733 628750488 /nfs/dbraw/zinc/75/04/88/628750488.db2.gz VFIVVGMTEPKUTK-UHFFFAOYSA-N 1 0 320.477 3.196 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@H](O)C(F)(F)F ZINC000825390805 628757139 /nfs/dbraw/zinc/75/71/39/628757139.db2.gz LJFRPISMHQSWLY-JQWIXIFHSA-N 1 0 311.731 3.145 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)c(C)cc2O)cn1 ZINC000825504793 628769823 /nfs/dbraw/zinc/76/98/23/628769823.db2.gz HYSBYOIZNMETGN-UHFFFAOYSA-N 1 0 306.793 3.390 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)CCS1 ZINC000825691800 628786092 /nfs/dbraw/zinc/78/60/92/628786092.db2.gz BVXWEPFTECBERK-SNVBAGLBSA-N 1 0 316.264 3.482 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CC=C(c3ccnn3C)CC2)cc1Cl ZINC000825882331 628806746 /nfs/dbraw/zinc/80/67/46/628806746.db2.gz IIBXZGVLGBSRDG-UHFFFAOYSA-N 1 0 317.820 3.377 20 10 DGCDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000825934875 628811841 /nfs/dbraw/zinc/81/18/41/628811841.db2.gz LXXAKSGBSHQOAN-CHWSQXEVSA-N 1 0 323.433 3.419 20 10 DGCDRO CCOC1CC([N@H+](C)Cc2ccc(Br)cc2O)C1 ZINC000825939838 628812433 /nfs/dbraw/zinc/81/24/33/628812433.db2.gz HZUTXXNHZKSTCL-UHFFFAOYSA-N 1 0 314.223 3.154 20 10 DGCDRO C[C@@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000825953072 628814226 /nfs/dbraw/zinc/81/42/26/628814226.db2.gz VUWOSADEQTWKJN-GFCCVEGCSA-N 1 0 311.433 3.177 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000826016397 628820392 /nfs/dbraw/zinc/82/03/92/628820392.db2.gz IMOMJDUYBQRFGW-QGZVFWFLSA-N 1 0 308.853 3.272 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000826097027 628827765 /nfs/dbraw/zinc/82/77/65/628827765.db2.gz MNGMTFPJIVCAMD-NOZJJQNGSA-N 1 0 323.742 3.099 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826123354 628829920 /nfs/dbraw/zinc/82/99/20/628829920.db2.gz LHEQONBVCLSFCI-UONOGXRCSA-N 1 0 321.461 3.291 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000826123993 628830035 /nfs/dbraw/zinc/83/00/35/628830035.db2.gz YASBWKRFEZRXJS-UCLAIMLFSA-N 1 0 302.462 3.149 20 10 DGCDRO C[C@H](COCC1CC1)[NH2+]Cc1ccc(Br)cc1O ZINC000826139833 628830785 /nfs/dbraw/zinc/83/07/85/628830785.db2.gz PSTXCZHDWBYTIJ-SNVBAGLBSA-N 1 0 314.223 3.059 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)c2ccccn2)c1O ZINC000826802343 628888894 /nfs/dbraw/zinc/88/88/94/628888894.db2.gz DTRRNQISELEFFX-NSHDSACASA-N 1 0 306.793 3.343 20 10 DGCDRO Cc1ccncc1CC[NH2+]Cc1ccc(Br)cc1O ZINC000826919875 628904039 /nfs/dbraw/zinc/90/40/39/628904039.db2.gz CKVBXFLAWPJKBI-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1O ZINC000827195922 628935546 /nfs/dbraw/zinc/93/55/46/628935546.db2.gz BXJGSAUKTKNYKH-RBUKOAKNSA-N 1 0 311.425 3.299 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2c(C3CC3)cnn2C)cc1Cl ZINC000827251913 628941798 /nfs/dbraw/zinc/94/17/98/628941798.db2.gz QXXVDQAWOGRTHO-UHFFFAOYSA-N 1 0 305.809 3.255 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000827377151 628954736 /nfs/dbraw/zinc/95/47/36/628954736.db2.gz QRDFGOCOOOXMFI-KSSFIOAISA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)c1O ZINC000827545218 628969474 /nfs/dbraw/zinc/96/94/74/628969474.db2.gz WXWAIWHFIKXIDK-KRWDZBQOSA-N 1 0 312.413 3.112 20 10 DGCDRO C[C@H](O)C1([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000827585581 628973700 /nfs/dbraw/zinc/97/37/00/628973700.db2.gz MCZGPTGJGRWFHV-INIZCTEOSA-N 1 0 322.452 3.252 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC000827692393 628983531 /nfs/dbraw/zinc/98/35/31/628983531.db2.gz IIXVKAJMRAJELX-YJYMSZOUSA-N 1 0 321.461 3.149 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000827751931 628988674 /nfs/dbraw/zinc/98/86/74/628988674.db2.gz YYJWFRDNGAHHSQ-FUHWJXTLSA-N 1 0 305.418 3.221 20 10 DGCDRO CC[N@H+](CCOc1ccccc1OC)Cc1ccccc1O ZINC000827762697 628989527 /nfs/dbraw/zinc/98/95/27/628989527.db2.gz QYIAQHNMTDPFKT-UHFFFAOYSA-N 1 0 301.386 3.302 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCC[C@H]3CCOC3)CC2)cc1 ZINC000827802237 628992849 /nfs/dbraw/zinc/99/28/49/628992849.db2.gz CULRWJWGQZHOPC-KRWDZBQOSA-N 1 0 318.461 3.024 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C2(CO)CCC2)c(C(F)(F)F)c1 ZINC000827903412 629002103 /nfs/dbraw/zinc/00/21/03/629002103.db2.gz HBWWPRQHDWTPKP-UHFFFAOYSA-N 1 0 316.367 3.118 20 10 DGCDRO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1O ZINC000827937053 629005470 /nfs/dbraw/zinc/00/54/70/629005470.db2.gz JDTVPRLFKHPCNR-HUUCEWRRSA-N 1 0 316.445 3.224 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000827951071 629007203 /nfs/dbraw/zinc/00/72/03/629007203.db2.gz VLJRXFPOQNLYHO-AWEZNQCLSA-N 1 0 308.853 3.257 20 10 DGCDRO COC1CCN(c2ccc(C[N@H+](C)CC(C)(C)OC)cc2)CC1 ZINC000828041902 629017464 /nfs/dbraw/zinc/01/74/64/629017464.db2.gz YPPOPZXJGJYXCQ-UHFFFAOYSA-N 1 0 320.477 3.159 20 10 DGCDRO C[C@@H](c1ccccc1)[N@H+](CC[S@@](C)=O)Cc1ccccc1O ZINC000828564200 629068575 /nfs/dbraw/zinc/06/85/75/629068575.db2.gz NNOQTXXVHWDKCI-OYHNWAKOSA-N 1 0 317.454 3.334 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)[C@@H](F)C3)cc2)CC1 ZINC000828736603 629087025 /nfs/dbraw/zinc/08/70/25/629087025.db2.gz HHYFYXWCVWNEAY-KXBFYZLASA-N 1 0 320.452 3.482 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000831165803 629345252 /nfs/dbraw/zinc/34/52/52/629345252.db2.gz NCFKTAATLTVXCS-OTWHNJEPSA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1cc(C(=O)N(C)CCC[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000832782295 629515198 /nfs/dbraw/zinc/51/51/98/629515198.db2.gz ZLWJJUCAWLIUHV-UHFFFAOYSA-N 1 0 319.836 3.168 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000834589732 629736252 /nfs/dbraw/zinc/73/62/52/629736252.db2.gz OFYBXAPDGBOWFC-SFHVURJKSA-N 1 0 300.450 3.072 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H]3SCCS[C@@H]13)CC2 ZINC000834697183 629760559 /nfs/dbraw/zinc/76/05/59/629760559.db2.gz HBUUCTSCBAYXJN-NCZKRNLISA-N 1 0 307.484 3.349 20 10 DGCDRO O=C(Nc1ccccc1)C1([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834773320 629777621 /nfs/dbraw/zinc/77/76/21/629777621.db2.gz FENVDZORYFZNIG-HNNXBMFYSA-N 1 0 308.381 3.140 20 10 DGCDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1CCc3cccc(O)c31)CC2 ZINC000834783940 629779821 /nfs/dbraw/zinc/77/98/21/629779821.db2.gz PKBCQNAIHZEFOI-JKSUJKDBSA-N 1 0 311.429 3.304 20 10 DGCDRO Cn1c2ccccc2cc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1=O ZINC000834806548 629782547 /nfs/dbraw/zinc/78/25/47/629782547.db2.gz DXRGVDICXFOXRW-MRXNPFEDSA-N 1 0 320.392 3.021 20 10 DGCDRO C[C@H]([NH2+]CC1=CCOCC1)c1cc(Br)ccc1O ZINC000834860619 629792882 /nfs/dbraw/zinc/79/28/82/629792882.db2.gz SYQPWSQJDCAKRO-JTQLQIEISA-N 1 0 312.207 3.152 20 10 DGCDRO C[C@@H]([NH2+]CC1=CCOCC1)c1cc(Br)ccc1O ZINC000834860621 629793155 /nfs/dbraw/zinc/79/31/55/629793155.db2.gz SYQPWSQJDCAKRO-SNVBAGLBSA-N 1 0 312.207 3.152 20 10 DGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000834886863 629797905 /nfs/dbraw/zinc/79/79/05/629797905.db2.gz PHSAPYMMIZZNMI-GAJTVXKRSA-N 1 0 314.223 3.373 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834906277 629804669 /nfs/dbraw/zinc/80/46/69/629804669.db2.gz NZBCARKMDRARDU-COXVUDFISA-N 1 0 318.436 3.359 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c1 ZINC000834910828 629806626 /nfs/dbraw/zinc/80/66/26/629806626.db2.gz FWPZDWZDWSXQTD-JJRVBVJISA-N 1 0 315.417 3.005 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c1 ZINC000834910829 629806730 /nfs/dbraw/zinc/80/67/30/629806730.db2.gz FWPZDWZDWSXQTD-VBQJREDUSA-N 1 0 315.417 3.005 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(F)ccc2O)cc1C ZINC000834912274 629807671 /nfs/dbraw/zinc/80/76/71/629807671.db2.gz CAFPKHXCJZJQMZ-RHSMWYFYSA-N 1 0 317.404 3.402 20 10 DGCDRO CC[NH+](CC)C[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835026219 629827661 /nfs/dbraw/zinc/82/76/61/629827661.db2.gz QODGNLHRLPRZRS-FQQSSWHASA-N 1 0 315.505 3.430 20 10 DGCDRO CN(C)c1ccc(/C=C/CN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000835026451 629828093 /nfs/dbraw/zinc/82/80/93/629828093.db2.gz WSOWXFMZEVLPMY-SUQGKYDKSA-N 1 0 301.478 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000835027314 629828827 /nfs/dbraw/zinc/82/88/27/629828827.db2.gz LIRIRFGWZOYKDB-ONEGZZNKSA-N 1 0 310.445 3.299 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000835027277 629829080 /nfs/dbraw/zinc/82/90/80/629829080.db2.gz JSHNKVUUHKXCIM-YJJPMGAVSA-N 1 0 313.489 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000835028780 629829352 /nfs/dbraw/zinc/82/93/52/629829352.db2.gz SHFPVUGEKRYWMS-JUGMSXHOSA-N 1 0 310.445 3.299 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000835034271 629830364 /nfs/dbraw/zinc/83/03/64/629830364.db2.gz RWEHDGSFOFPUNO-ONEGZZNKSA-N 1 0 324.424 3.327 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000835043388 629832642 /nfs/dbraw/zinc/83/26/42/629832642.db2.gz QHVBJSIISJQZTA-BSMJBHPZSA-N 1 0 300.446 3.313 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2cnc(C3CC3)nc2)cc1 ZINC000835041955 629832801 /nfs/dbraw/zinc/83/28/01/629832801.db2.gz PNSTXCUCKVVKNB-ONEGZZNKSA-N 1 0 322.456 3.266 20 10 DGCDRO CCC1(O)CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835042399 629832943 /nfs/dbraw/zinc/83/29/43/629832943.db2.gz HLZUMBQYCVPJLA-AATRIKPKSA-N 1 0 302.462 3.439 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000835043467 629833113 /nfs/dbraw/zinc/83/31/13/629833113.db2.gz RDTRKMWPNFLIFQ-RCFWFJCLSA-N 1 0 300.446 3.457 20 10 DGCDRO CC(C)C[C@@H](CCO)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835043632 629833872 /nfs/dbraw/zinc/83/38/72/629833872.db2.gz TYANSMARVPZPGN-DUMMIQTOSA-N 1 0 304.478 3.400 20 10 DGCDRO Cc1ccccc1C[C@@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835050018 629836091 /nfs/dbraw/zinc/83/60/91/629836091.db2.gz MAQAZBNXXMYUIP-LZVBJTEYSA-N 1 0 324.468 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC000835053476 629837452 /nfs/dbraw/zinc/83/74/52/629837452.db2.gz CXDZFXDHGUZFCD-FMEUAVTJSA-N 1 0 314.473 3.153 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC000835053484 629837528 /nfs/dbraw/zinc/83/75/28/629837528.db2.gz CXDZFXDHGUZFCD-YIYNPQHWSA-N 1 0 314.473 3.153 20 10 DGCDRO C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H](C2CC2)O1 ZINC000835055028 629838287 /nfs/dbraw/zinc/83/82/87/629838287.db2.gz UZKGNEMOGQIEJA-FKXXJOMMSA-N 1 0 300.446 3.265 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc3cnn(C)c3c2)cc1 ZINC000835055869 629839623 /nfs/dbraw/zinc/83/96/23/629839623.db2.gz ONDLSVGJHDDAFK-PLNGDYQASA-N 1 0 320.440 3.442 20 10 DGCDRO CCOc1ccc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c(O)c1 ZINC000835077182 629844927 /nfs/dbraw/zinc/84/49/27/629844927.db2.gz QJXYXEWEAIJMAG-UHFFFAOYSA-N 1 0 317.433 3.183 20 10 DGCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000835075759 629845216 /nfs/dbraw/zinc/84/52/16/629845216.db2.gz AAXCJWVEBJLYPZ-UHFFFAOYSA-N 1 0 312.413 3.064 20 10 DGCDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(Cl)ccc1O ZINC000835076751 629845405 /nfs/dbraw/zinc/84/54/05/629845405.db2.gz LHHZNCDRLIGDGB-UHFFFAOYSA-N 1 0 307.825 3.437 20 10 DGCDRO OC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCCC1 ZINC000102426215 630105366 /nfs/dbraw/zinc/10/53/66/630105366.db2.gz QSKDDFLMVRZNIQ-UHFFFAOYSA-N 1 0 302.462 3.462 20 10 DGCDRO Fc1cc(C[NH2+][C@H]2CCC23CCC3)cc(F)c1N1CCOCC1 ZINC000840758630 630356320 /nfs/dbraw/zinc/35/63/20/630356320.db2.gz PWHLCZVIZHSMBC-INIZCTEOSA-N 1 0 322.399 3.224 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000840760920 630356508 /nfs/dbraw/zinc/35/65/08/630356508.db2.gz KTFLDGNOMRMKQL-INIZCTEOSA-N 1 0 310.388 3.080 20 10 DGCDRO Cc1ncc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)o1 ZINC000840794896 630358895 /nfs/dbraw/zinc/35/88/95/630358895.db2.gz RMJIGGMBBDZWDD-QMMMGPOBSA-N 1 0 311.179 3.302 20 10 DGCDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000840808364 630360776 /nfs/dbraw/zinc/36/07/76/630360776.db2.gz KAXWRCZCKLLSHA-HOCLYGCPSA-N 1 0 315.413 3.136 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000840854854 630367446 /nfs/dbraw/zinc/36/74/46/630367446.db2.gz HCVBOPBCJQBEMF-FMKPAKJESA-N 1 0 306.475 3.068 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@H]3CC3(F)F)CC2)cc1 ZINC000840879174 630371274 /nfs/dbraw/zinc/37/12/74/630371274.db2.gz LIOQALOSDZISEA-BLLLJJGKSA-N 1 0 310.388 3.297 20 10 DGCDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000840888227 630373012 /nfs/dbraw/zinc/37/30/12/630373012.db2.gz DIOZSZUHMHKHSM-ZDUSSCGKSA-N 1 0 321.442 3.021 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(Cl)c1 ZINC000840897261 630374605 /nfs/dbraw/zinc/37/46/05/630374605.db2.gz LLYKVQKYMJUCJY-OLZOCXBDSA-N 1 0 324.852 3.091 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840896963 630374745 /nfs/dbraw/zinc/37/47/45/630374745.db2.gz PCXHCBJJURYHLI-QGZVFWFLSA-N 1 0 321.804 3.186 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3ccccn3)C2)c(Cl)c1 ZINC000840905704 630375757 /nfs/dbraw/zinc/37/57/57/630375757.db2.gz BWIMTJCSBRFPEY-CYBMUJFWSA-N 1 0 317.820 3.118 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(N(C)C)n2)c(Cl)c1 ZINC000840907063 630375828 /nfs/dbraw/zinc/37/58/28/630375828.db2.gz MAZSTYNPZHYNJM-UHFFFAOYSA-N 1 0 305.809 3.105 20 10 DGCDRO Cc1nc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2C)no1 ZINC000840912039 630376232 /nfs/dbraw/zinc/37/62/32/630376232.db2.gz YXLYOJQYQJGMLY-KRWDZBQOSA-N 1 0 314.433 3.480 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2C2OCCO2)c(Cl)c1 ZINC000840916457 630377803 /nfs/dbraw/zinc/37/78/03/630377803.db2.gz VENHPVHARXQIOT-AWEZNQCLSA-N 1 0 311.809 3.081 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000840920814 630378926 /nfs/dbraw/zinc/37/89/26/630378926.db2.gz JYWIZTZWFKFXNW-ROUUACIJSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000840933788 630380076 /nfs/dbraw/zinc/38/00/76/630380076.db2.gz SUPITOFSDMEFEN-SFHVURJKSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000840940506 630381394 /nfs/dbraw/zinc/38/13/94/630381394.db2.gz CRWUPHFJQPHEAU-KRWDZBQOSA-N 1 0 312.461 3.174 20 10 DGCDRO Cc1cc(N(C)C)ccc1CNC1CC([NH+]2CCCCC2)C1 ZINC000840940800 630381449 /nfs/dbraw/zinc/38/14/49/630381449.db2.gz GFGKSJIPJKWLPW-UHFFFAOYSA-N 1 0 301.478 3.168 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000840951151 630383622 /nfs/dbraw/zinc/38/36/22/630383622.db2.gz TXLOTSJGEOLQKX-WMLDXEAASA-N 1 0 309.837 3.241 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840957050 630385354 /nfs/dbraw/zinc/38/53/54/630385354.db2.gz HZCJBTNSMWNYTB-VQTJNVASSA-N 1 0 310.441 3.369 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c(O)c1 ZINC000840970408 630388950 /nfs/dbraw/zinc/38/89/50/630388950.db2.gz QEFAMXDNXSATGG-SFHVURJKSA-N 1 0 319.445 3.428 20 10 DGCDRO Fc1cc(C[N@@H+]2CC[C@H](C3CCC3)C2)ccc1N1CCOCC1 ZINC000840977220 630390227 /nfs/dbraw/zinc/39/02/27/630390227.db2.gz GJRDUYOJBOXZCM-KRWDZBQOSA-N 1 0 318.436 3.284 20 10 DGCDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840977076 630390243 /nfs/dbraw/zinc/39/02/43/630390243.db2.gz QREMARGOBYFAQD-OAHLLOKOSA-N 1 0 320.477 3.171 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000841032929 630399368 /nfs/dbraw/zinc/39/93/68/630399368.db2.gz HSYAALKZYOENQK-UWVGGRQHSA-N 1 0 303.233 3.177 20 10 DGCDRO COc1ccc(CC[C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1O ZINC000841037969 630399919 /nfs/dbraw/zinc/39/99/19/630399919.db2.gz DVNCEVFEROLNAT-CQSZACIVSA-N 1 0 314.429 3.136 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccsc2Cl)cc1 ZINC000841042181 630400400 /nfs/dbraw/zinc/40/04/00/630400400.db2.gz LKZPPSVSQVOVNO-AWEZNQCLSA-N 1 0 309.866 3.257 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000841045303 630400990 /nfs/dbraw/zinc/40/09/90/630400990.db2.gz JRVQKYCZJGECGW-OTWHNJEPSA-N 1 0 301.478 3.311 20 10 DGCDRO C[C@@H](CCc1ccccc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044572 630401070 /nfs/dbraw/zinc/40/10/70/630401070.db2.gz DIJWMNZSZNUVFA-JXFKEZNVSA-N 1 0 311.473 3.363 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc3ccccc3o2)cc1 ZINC000841043945 630401343 /nfs/dbraw/zinc/40/13/43/630401343.db2.gz RQJSAQXTBANUKZ-GOSISDBHSA-N 1 0 309.413 3.288 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(F)cc2Cl)cc1 ZINC000841042940 630401447 /nfs/dbraw/zinc/40/14/47/630401447.db2.gz MZWRKHFZDBMODW-KRWDZBQOSA-N 1 0 321.827 3.335 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(Cl)cc2F)cc1 ZINC000841045731 630401764 /nfs/dbraw/zinc/40/17/64/630401764.db2.gz OZKRINLRUXVLSN-KRWDZBQOSA-N 1 0 321.827 3.335 20 10 DGCDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000841301362 630425411 /nfs/dbraw/zinc/42/54/11/630425411.db2.gz MMUTXXIVLZBUAW-KRWDZBQOSA-N 1 0 312.417 3.002 20 10 DGCDRO COCCCC[N@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000841690849 630455092 /nfs/dbraw/zinc/45/50/92/630455092.db2.gz NAMMQHYTNMEOHD-UHFFFAOYSA-N 1 0 303.402 3.412 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841751543 630462268 /nfs/dbraw/zinc/46/22/68/630462268.db2.gz HVQFRIAKDYVIPD-WFASDCNBSA-N 1 0 305.805 3.300 20 10 DGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(Cl)cc1O ZINC000841752971 630462337 /nfs/dbraw/zinc/46/23/37/630462337.db2.gz DGTCMOCQPXHQEQ-RMLVOYDJSA-N 1 0 319.788 3.191 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000841761736 630463346 /nfs/dbraw/zinc/46/33/46/630463346.db2.gz KLNYNFXAJKXEAT-PWSUYJOCSA-N 1 0 318.795 3.344 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O ZINC000841765675 630463705 /nfs/dbraw/zinc/46/37/05/630463705.db2.gz UXQSCQWHNJHJNM-DGCLKSJQSA-N 1 0 318.795 3.426 20 10 DGCDRO CC(C)[C@H](O)C1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000842207639 630505733 /nfs/dbraw/zinc/50/57/33/630505733.db2.gz OOHVKDZCGYKJDY-QWNKOJSDSA-N 1 0 302.462 3.153 20 10 DGCDRO COc1cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c(O)cc1C ZINC000842622956 630554707 /nfs/dbraw/zinc/55/47/07/630554707.db2.gz DKNDSYGJGRZEJC-LJQANCHMSA-N 1 0 315.413 3.049 20 10 DGCDRO COc1cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c(O)cc1C ZINC000842622955 630555099 /nfs/dbraw/zinc/55/50/99/630555099.db2.gz DKNDSYGJGRZEJC-IBGZPJMESA-N 1 0 315.413 3.049 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(CO)cc2)cc1F ZINC000842732803 630568950 /nfs/dbraw/zinc/56/89/50/630568950.db2.gz XGKUOKWJKXTNMP-UHFFFAOYSA-N 1 0 316.420 3.454 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842887585 630589466 /nfs/dbraw/zinc/58/94/66/630589466.db2.gz ZNZPSZVUQUXOHE-RISCZKNCSA-N 1 0 324.852 3.404 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000842885326 630589615 /nfs/dbraw/zinc/58/96/15/630589615.db2.gz NCNBUVBGKICEJV-SJORKVTESA-N 1 0 317.477 3.193 20 10 DGCDRO Cc1cccc2nc(CC[NH2+][C@H](C)c3cc(F)ccc3O)cn21 ZINC000842932452 630594981 /nfs/dbraw/zinc/59/49/81/630594981.db2.gz ALWOOMLBXRPXNO-CYBMUJFWSA-N 1 0 313.376 3.381 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1F ZINC000843043689 630607670 /nfs/dbraw/zinc/60/76/70/630607670.db2.gz CTOLDXAMKAUEAL-UHFFFAOYSA-N 1 0 319.468 3.388 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000843047980 630608315 /nfs/dbraw/zinc/60/83/15/630608315.db2.gz GDXYAKHFROVLAG-OALUTQOASA-N 1 0 301.478 3.168 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045989 630608570 /nfs/dbraw/zinc/60/85/70/630608570.db2.gz SACSSDKKCSADLR-XJKSGUPXSA-N 1 0 308.853 3.318 20 10 DGCDRO CC[C@@H]1CN(Cc2ccc(N(CC)CC)c(F)c2)CC[C@H]1[NH3+] ZINC000843051983 630608640 /nfs/dbraw/zinc/60/86/40/630608640.db2.gz JMPDZTXWUCKZSP-NVXWUHKLSA-N 1 0 307.457 3.231 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1csc([N+](=O)[O-])c1 ZINC000843057474 630609543 /nfs/dbraw/zinc/60/95/43/630609543.db2.gz OJLIUNKWBUSPHT-UHFFFAOYSA-N 1 0 303.387 3.068 20 10 DGCDRO Oc1ccccc1CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000843115461 630615161 /nfs/dbraw/zinc/61/51/61/630615161.db2.gz FJQPZQRBCWQYJI-INIZCTEOSA-N 1 0 302.805 3.192 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@H]2c2ccncc2)cc1 ZINC000843120589 630615728 /nfs/dbraw/zinc/61/57/28/630615728.db2.gz QPCPTROMPHOKLV-FQEVSTJZSA-N 1 0 324.472 3.074 20 10 DGCDRO Nc1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000843356395 630649139 /nfs/dbraw/zinc/64/91/39/630649139.db2.gz MVNGRJVADRQZSH-SFHVURJKSA-N 1 0 312.413 3.156 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1F ZINC000843420789 630655802 /nfs/dbraw/zinc/65/58/02/630655802.db2.gz HPXMBSCWIQTAIE-QAPCUYQASA-N 1 0 306.425 3.283 20 10 DGCDRO CCCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000843426140 630657246 /nfs/dbraw/zinc/65/72/46/630657246.db2.gz OKPVTTXWTXFMMO-HNNXBMFYSA-N 1 0 301.814 3.085 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)cc1C ZINC000843433327 630658034 /nfs/dbraw/zinc/65/80/34/630658034.db2.gz XXJFTDFZTAFKGX-GOSISDBHSA-N 1 0 303.446 3.447 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c(O)c1 ZINC000843432385 630658289 /nfs/dbraw/zinc/65/82/89/630658289.db2.gz CKYPASRAQLECJN-SFHVURJKSA-N 1 0 319.445 3.234 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCCC2CCOCC2)cc1 ZINC000844401488 630724848 /nfs/dbraw/zinc/72/48/48/630724848.db2.gz MHESGEUECJJHGW-UHFFFAOYSA-N 1 0 320.477 3.270 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1CC[NH3+] ZINC000844900685 630970431 /nfs/dbraw/zinc/97/04/31/630970431.db2.gz CQEYFWAGPMEDNQ-GXFFZTMASA-N 1 0 300.805 3.134 20 10 DGCDRO C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000844925993 630988177 /nfs/dbraw/zinc/98/81/77/630988177.db2.gz SRWOENBIPGENIE-LLVKDONJSA-N 1 0 316.367 3.451 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)c1 ZINC000845970640 631204128 /nfs/dbraw/zinc/20/41/28/631204128.db2.gz AXKYLRKDEJWWDD-NJURLYQPSA-N 1 0 305.418 3.255 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000846009269 631205406 /nfs/dbraw/zinc/20/54/06/631205406.db2.gz VZAZHEFYLJJOQO-OAQYLSRUSA-N 1 0 324.468 3.027 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000846015746 631206334 /nfs/dbraw/zinc/20/63/34/631206334.db2.gz DFQKJSRLKAUZKL-XIKOKIGWSA-N 1 0 319.376 3.142 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1 ZINC000846015745 631206392 /nfs/dbraw/zinc/20/63/92/631206392.db2.gz DFQKJSRLKAUZKL-SGTLLEGYSA-N 1 0 319.376 3.142 20 10 DGCDRO Oc1c(C[NH+]2CCC(Cn3cnnc3)CC2)ccc2ccccc21 ZINC000846057134 631208702 /nfs/dbraw/zinc/20/87/02/631208702.db2.gz SMKAJIPBSHKJEX-UHFFFAOYSA-N 1 0 322.412 3.049 20 10 DGCDRO Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846059014 631208835 /nfs/dbraw/zinc/20/88/35/631208835.db2.gz WZIYYCUNNXSJDC-UHFFFAOYSA-N 1 0 320.607 3.376 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H](CO)CCF)cc1 ZINC000846096527 631209451 /nfs/dbraw/zinc/20/94/51/631209451.db2.gz IMUFCFLDAIGTLL-OAHLLOKOSA-N 1 0 322.449 3.195 20 10 DGCDRO COc1cccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1O ZINC000846103001 631209640 /nfs/dbraw/zinc/20/96/40/631209640.db2.gz SSTHVFYORLUUBW-NSHDSACASA-N 1 0 304.217 3.464 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1O ZINC000846136060 631211416 /nfs/dbraw/zinc/21/14/16/631211416.db2.gz HRXWOYDXHVBXLM-IAQYHMDHSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccccc1CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846138300 631211442 /nfs/dbraw/zinc/21/14/42/631211442.db2.gz VNNFLNFCOKWPPM-CYBMUJFWSA-N 1 0 301.386 3.303 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1F ZINC000846137608 631211443 /nfs/dbraw/zinc/21/14/43/631211443.db2.gz UHFRRWSWYITFDV-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c1O ZINC000846138211 631211444 /nfs/dbraw/zinc/21/14/44/631211444.db2.gz ZLRBYJOXGCXMBS-DOMZBBRYSA-N 1 0 320.458 3.416 20 10 DGCDRO CCn1nc(C)c(C[NH2+][C@H](C)c2cccc(OC)c2O)c1C ZINC000846142859 631211540 /nfs/dbraw/zinc/21/15/40/631211540.db2.gz BLPPRFDXWUFRPT-LLVKDONJSA-N 1 0 303.406 3.085 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@@H]2C)c1O ZINC000846139869 631211546 /nfs/dbraw/zinc/21/15/46/631211546.db2.gz VYEYPRYOEJJXGZ-KKUMJFAQSA-N 1 0 306.450 3.314 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCn2cnc3ccccc32)c1O ZINC000846142869 631211681 /nfs/dbraw/zinc/21/16/81/631211681.db2.gz WRKOHBAKRNBOBK-ZDUSSCGKSA-N 1 0 311.385 3.101 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccc(C)o1 ZINC000846145583 631212105 /nfs/dbraw/zinc/21/21/05/631212105.db2.gz LSIDBYYFJDMXRN-JSGCOSHPSA-N 1 0 305.374 3.341 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C)c2)c1O ZINC000846156605 631212538 /nfs/dbraw/zinc/21/25/38/631212538.db2.gz NHSIUHCISVCJGD-CZUORRHYSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCC[C@H]2CCCC[C@H]2O)c1O ZINC000846156917 631212620 /nfs/dbraw/zinc/21/26/20/631212620.db2.gz PWPLGXOMKPXPPE-SQWLQELKSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1O ZINC000846161987 631212968 /nfs/dbraw/zinc/21/29/68/631212968.db2.gz DOTKTIBTDPLGGI-GOEBONIOSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCCc2ncccc2C)c1O ZINC000846170026 631213280 /nfs/dbraw/zinc/21/32/80/631213280.db2.gz UVPCWNGHFPHVIL-CQSZACIVSA-N 1 0 300.402 3.388 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1O ZINC000846168717 631213285 /nfs/dbraw/zinc/21/32/85/631213285.db2.gz UNGZDLTVMRQDOV-BBRMVZONSA-N 1 0 305.418 3.401 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)c1O ZINC000846173245 631213480 /nfs/dbraw/zinc/21/34/80/631213480.db2.gz QAJRRMLJFGCBBL-ZJUUUORDSA-N 1 0 308.328 3.486 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](Cc2ccccc2)OC)c1O ZINC000846170995 631213644 /nfs/dbraw/zinc/21/36/44/631213644.db2.gz QELUIJLZQXRHIE-ZBFHGGJFSA-N 1 0 315.413 3.309 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)c1 ZINC000846181538 631213780 /nfs/dbraw/zinc/21/37/80/631213780.db2.gz ZSVJUXTVLXNTHA-QRWLVFNGSA-N 1 0 311.425 3.228 20 10 DGCDRO C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1cc(F)ccc1O ZINC000846181533 631213814 /nfs/dbraw/zinc/21/38/14/631213814.db2.gz ZSNPFQUZOGGCIL-YJYMSZOUSA-N 1 0 315.388 3.058 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)c1O ZINC000846189840 631214442 /nfs/dbraw/zinc/21/44/42/631214442.db2.gz UTVMMAACLSXYJI-SJKOYZFVSA-N 1 0 305.418 3.257 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846207092 631214819 /nfs/dbraw/zinc/21/48/19/631214819.db2.gz YIZXMKBKLVWJGQ-NEPJUHHUSA-N 1 0 322.836 3.016 20 10 DGCDRO COCCC[N@H+](Cc1ccncc1)Cc1cc(C)c(C)cc1O ZINC000106856025 631475529 /nfs/dbraw/zinc/47/55/29/631475529.db2.gz DBNWMFQDCHHGHN-UHFFFAOYSA-N 1 0 314.429 3.443 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC2(CCCCC2)O1 ZINC000848505676 631672225 /nfs/dbraw/zinc/67/22/25/631672225.db2.gz LLFPQSGJPDHDJK-ZDUSSCGKSA-N 1 0 319.401 3.045 20 10 DGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2CC2)c1O ZINC000848518746 631674225 /nfs/dbraw/zinc/67/42/25/631674225.db2.gz NKWRACAAELORIH-QMMMGPOBSA-N 1 0 300.196 3.224 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H](C)SC3)C2)cc1 ZINC000848553341 631690763 /nfs/dbraw/zinc/69/07/63/631690763.db2.gz LYAMLADAAYXWQV-BZUAXINKSA-N 1 0 320.502 3.395 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000848558901 631691712 /nfs/dbraw/zinc/69/17/12/631691712.db2.gz PPBRQOITBNMPOL-JBBXEZCESA-N 1 0 305.418 3.399 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000848563860 631693614 /nfs/dbraw/zinc/69/36/14/631693614.db2.gz XZNACCVYHBULSJ-NWDGAFQWSA-N 1 0 309.406 3.029 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000848566351 631695782 /nfs/dbraw/zinc/69/57/82/631695782.db2.gz VSRYRNFEHHESKQ-CQSZACIVSA-N 1 0 323.433 3.104 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc1F ZINC000848576203 631701535 /nfs/dbraw/zinc/70/15/35/631701535.db2.gz JJQWPNBLGSFWBA-HNNXBMFYSA-N 1 0 306.425 3.473 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1O ZINC000848882730 631769205 /nfs/dbraw/zinc/76/92/05/631769205.db2.gz ZOIVFNPSCSPKSS-GOSISDBHSA-N 1 0 324.424 3.018 20 10 DGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000848884650 631770773 /nfs/dbraw/zinc/77/07/73/631770773.db2.gz JCPWEKHDXGKBEJ-KRWDZBQOSA-N 1 0 318.461 3.083 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2ccc3c(c2)OCCO3)c1O ZINC000848891326 631774187 /nfs/dbraw/zinc/77/41/87/631774187.db2.gz OXSXVNKEULWFDR-UHFFFAOYSA-N 1 0 313.397 3.058 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1O ZINC000848894658 631775731 /nfs/dbraw/zinc/77/57/31/631775731.db2.gz GCFFJJWCCGCSCX-UHFFFAOYSA-N 1 0 316.357 3.161 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(OCC3CC3)nc2)c1O ZINC000848894316 631775904 /nfs/dbraw/zinc/77/59/04/631775904.db2.gz ISZDAFOEFZCTNN-UHFFFAOYSA-N 1 0 312.413 3.428 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(N(CC)CC)nc2)c1O ZINC000848892779 631775994 /nfs/dbraw/zinc/77/59/94/631775994.db2.gz GWCXWAJTEDDUQB-UHFFFAOYSA-N 1 0 313.445 3.486 20 10 DGCDRO CCc1cccc(C[NH2+]CC(=O)N2CCCc3ccccc32)c1O ZINC000848894905 631777010 /nfs/dbraw/zinc/77/70/10/631777010.db2.gz NOBKVSUTDFSYCT-UHFFFAOYSA-N 1 0 324.424 3.024 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cccnc2OCC(F)F)c1O ZINC000848900520 631778642 /nfs/dbraw/zinc/77/86/42/631778642.db2.gz NEBHMWGYGLREIN-UHFFFAOYSA-N 1 0 322.355 3.283 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1O ZINC000848900975 631779697 /nfs/dbraw/zinc/77/96/97/631779697.db2.gz SNXOXRBQJOIIHR-YCPHGPKFSA-N 1 0 309.500 3.424 20 10 DGCDRO CCc1cccc(CN(CC[NH+](C)C)Cc2ccco2)c1O ZINC000848910304 631782971 /nfs/dbraw/zinc/78/29/71/631782971.db2.gz IESOSENUEVVRQS-UHFFFAOYSA-N 1 0 302.418 3.111 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000848912505 631784345 /nfs/dbraw/zinc/78/43/45/631784345.db2.gz GWSKHGCZOHYLSK-FQEVSTJZSA-N 1 0 311.425 3.091 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2cccc(C)c2OC)cc1OC ZINC000848923029 631789052 /nfs/dbraw/zinc/78/90/52/631789052.db2.gz CKUFPBVIKSHZRS-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c1O ZINC000848926933 631791090 /nfs/dbraw/zinc/79/10/90/631791090.db2.gz JXPKCPMYIGPSFP-OAHLLOKOSA-N 1 0 323.433 3.247 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c(O)c1 ZINC000848927449 631791121 /nfs/dbraw/zinc/79/11/21/631791121.db2.gz ZZDGYQCTZXVNDF-INIZCTEOSA-N 1 0 323.433 3.247 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c(O)c1 ZINC000848927450 631791359 /nfs/dbraw/zinc/79/13/59/631791359.db2.gz ZZDGYQCTZXVNDF-MRXNPFEDSA-N 1 0 323.433 3.247 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnn2CC2CC2)cc1 ZINC000850035189 632034507 /nfs/dbraw/zinc/03/45/07/632034507.db2.gz XOZYVZXENXYNQI-UHFFFAOYSA-N 1 0 312.461 3.429 20 10 DGCDRO COc1cc(C[NH2+]Cc2nccs2)c(O)c(C(C)(C)C)c1 ZINC000850041762 632036084 /nfs/dbraw/zinc/03/60/84/632036084.db2.gz PPAWOUAGICBHQC-UHFFFAOYSA-N 1 0 306.431 3.445 20 10 DGCDRO COc1cc(C[NH2+]CCOCC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850130311 632062614 /nfs/dbraw/zinc/06/26/14/632062614.db2.gz PWTYOIQVGRERJO-UHFFFAOYSA-N 1 0 307.434 3.215 20 10 DGCDRO COc1cc(C[NH2+]CCc2cscn2)c(O)c(C(C)(C)C)c1 ZINC000850146257 632065725 /nfs/dbraw/zinc/06/57/25/632065725.db2.gz VHLKVOJNPNQGIX-UHFFFAOYSA-N 1 0 320.458 3.487 20 10 DGCDRO COc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850160180 632068384 /nfs/dbraw/zinc/06/83/84/632068384.db2.gz QBOIZMZQKMWFES-CHWSQXEVSA-N 1 0 307.434 3.213 20 10 DGCDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850249577 632093847 /nfs/dbraw/zinc/09/38/47/632093847.db2.gz DJRJGWFWPYZPBD-AFNCTOJWSA-N 1 0 307.434 3.115 20 10 DGCDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](C)O2)c(O)c(C(C)(C)C)c1 ZINC000850320490 632112591 /nfs/dbraw/zinc/11/25/91/632112591.db2.gz JXGVGKJBBPHLMJ-GXTWGEPZSA-N 1 0 307.434 3.355 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCC[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000850326636 632114042 /nfs/dbraw/zinc/11/40/42/632114042.db2.gz APTWJWLZUZWQCA-ZFWWWQNUSA-N 1 0 321.461 3.339 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)ccc1OC ZINC000850342226 632119015 /nfs/dbraw/zinc/11/90/15/632119015.db2.gz DPGSRUYGLUVDGM-KRWDZBQOSA-N 1 0 320.477 3.194 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCO[C@H](C(C)C)C3)C2)cc1 ZINC000850346250 632119775 /nfs/dbraw/zinc/11/97/75/632119775.db2.gz DEZZPZLCNHPITG-BXWFABGCSA-N 1 0 318.461 3.067 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCC(F)(F)CC3)C2)cc1 ZINC000850346052 632119987 /nfs/dbraw/zinc/11/99/87/632119987.db2.gz BOWJDALIFKNFCK-CQSZACIVSA-N 1 0 310.388 3.441 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1 ZINC000850354954 632123718 /nfs/dbraw/zinc/12/37/18/632123718.db2.gz DVZCHFPCOJCGSH-DROPOWOOSA-N 1 0 320.502 3.045 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)cc1F ZINC000850365337 632127322 /nfs/dbraw/zinc/12/73/22/632127322.db2.gz GFWADISWCSMRQP-OAHLLOKOSA-N 1 0 316.367 3.186 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c1O ZINC000850378095 632131874 /nfs/dbraw/zinc/13/18/74/632131874.db2.gz RDGHIEWRJPKQIV-IRXDYDNUSA-N 1 0 313.397 3.063 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c(Cl)c1 ZINC000850379703 632132786 /nfs/dbraw/zinc/13/27/86/632132786.db2.gz FNKIHMGSRVCGAD-KGLIPLIRSA-N 1 0 317.763 3.258 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCC[C@@H](C)O3)CC2)cc1 ZINC000850379397 632132932 /nfs/dbraw/zinc/13/29/32/632132932.db2.gz NQFDNPZGCKCJHT-DNVCBOLYSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)c1O ZINC000850395781 632138505 /nfs/dbraw/zinc/13/85/05/632138505.db2.gz YSLMYPRHNKKIAC-ZWKOTPCHSA-N 1 0 315.413 3.249 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)CC1 ZINC000850406532 632142303 /nfs/dbraw/zinc/14/23/03/632142303.db2.gz KQOCXOVOMPDZHT-UHFFFAOYSA-N 1 0 324.415 3.315 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c1 ZINC000850412123 632144215 /nfs/dbraw/zinc/14/42/15/632144215.db2.gz SYQLCDPZQYNMCJ-IFXJQAMLSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]C2CC(C)(C)C2)c1O ZINC000850415929 632146225 /nfs/dbraw/zinc/14/62/25/632146225.db2.gz YWOMTYHLEGLGEK-UHFFFAOYSA-N 1 0 314.223 3.442 20 10 DGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850424583 632148696 /nfs/dbraw/zinc/14/86/96/632148696.db2.gz LHYHJPIBKVJYNK-INIZCTEOSA-N 1 0 318.486 3.041 20 10 DGCDRO COC[C@H](CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)OC ZINC000850485562 632167155 /nfs/dbraw/zinc/16/71/55/632167155.db2.gz LBZOLQAMWQZYDJ-LPHOPBHVSA-N 1 0 320.477 3.379 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C3CC3)C3CCC3)C2)cc1 ZINC000850485951 632167476 /nfs/dbraw/zinc/16/74/76/632167476.db2.gz DKXLPXHQKIKRST-LPHOPBHVSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]4C[C@]43C)C2)cc1 ZINC000850486127 632167957 /nfs/dbraw/zinc/16/79/57/632167957.db2.gz GHSWOGSFENYNIN-ILRDRHFLSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(F)cn3)C2)cc1 ZINC000850489652 632168336 /nfs/dbraw/zinc/16/83/36/632168336.db2.gz WGSKIIBSVLBGFD-UKRRQHHQSA-N 1 0 315.392 3.159 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CCc3ccco3)C2)cc1 ZINC000850489249 632168553 /nfs/dbraw/zinc/16/85/53/632168553.db2.gz SFVGLCYAFVKOFK-JKSUJKDBSA-N 1 0 314.429 3.478 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3csc(C)n3)C2)cc1 ZINC000850489141 632168724 /nfs/dbraw/zinc/16/87/24/632168724.db2.gz RFPDRPQXVOEEQJ-JSGCOSHPSA-N 1 0 317.458 3.390 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](COC)C2CCOCC2)cc1 ZINC000850491540 632169904 /nfs/dbraw/zinc/16/99/04/632169904.db2.gz FAFBHTSFWOHMSQ-KXBFYZLASA-N 1 0 320.477 3.235 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)C1CCOCC1 ZINC000850494673 632170796 /nfs/dbraw/zinc/17/07/96/632170796.db2.gz VYEUIFUKOYJGRN-YOEHRIQHSA-N 1 0 307.434 3.101 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccnc1N1CCCC1)CC2 ZINC000850499916 632172380 /nfs/dbraw/zinc/17/23/80/632172380.db2.gz AHWSDRKVESHSBE-INIZCTEOSA-N 1 0 309.413 3.165 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cc(Cl)ccc1O ZINC000850498792 632172441 /nfs/dbraw/zinc/17/24/41/632172441.db2.gz DFVCRPKJNSUZPL-TVYUQYBPSA-N 1 0 306.797 3.384 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c(O)c1C ZINC000850501891 632173255 /nfs/dbraw/zinc/17/32/55/632173255.db2.gz QYVZXGHXCUMUHX-FQEHYLHMSA-N 1 0 309.475 3.349 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(N(C)C)cc1 ZINC000850503120 632173264 /nfs/dbraw/zinc/17/32/64/632173264.db2.gz ULOSYEHWYMGLSQ-OBUYZQBDSA-N 1 0 322.518 3.483 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1O ZINC000850502419 632173581 /nfs/dbraw/zinc/17/35/81/632173581.db2.gz WCHIOVIJVMMJHY-CVEARBPZSA-N 1 0 310.397 3.021 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cc(Cl)ccc1O ZINC000850503042 632173648 /nfs/dbraw/zinc/17/36/48/632173648.db2.gz TVPLUIFYQZEBLE-YBQGDOTASA-N 1 0 315.866 3.386 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(OC)cccc2OC)c1 ZINC000850505786 632174264 /nfs/dbraw/zinc/17/42/64/632174264.db2.gz YCROBANAEPPGHU-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000850514756 632176602 /nfs/dbraw/zinc/17/66/02/632176602.db2.gz QGTLSLVDHYAAAD-YUSALJHKSA-N 1 0 314.223 3.373 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000850516118 632176988 /nfs/dbraw/zinc/17/69/88/632176988.db2.gz JRWHKVRGMLHTQK-HZPDHXFCSA-N 1 0 302.462 3.489 20 10 DGCDRO COc1ccnc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)c1F ZINC000850537009 632185673 /nfs/dbraw/zinc/18/56/73/632185673.db2.gz LSPLDQTXQPUVNK-ONGXEEELSA-N 1 0 320.339 3.412 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COc3cc(F)ccc3C2)c(O)c1 ZINC000850536770 632185760 /nfs/dbraw/zinc/18/57/60/632185760.db2.gz JSUZMWGKBJRRGH-IUODEOHRSA-N 1 0 301.361 3.494 20 10 DGCDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CCc3cccc(O)c32)cn1 ZINC000850541291 632186824 /nfs/dbraw/zinc/18/68/24/632186824.db2.gz UVXFYSGSGHELJR-GVDBMIGSSA-N 1 0 311.429 3.114 20 10 DGCDRO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccccc1O ZINC000109770788 632316300 /nfs/dbraw/zinc/31/63/00/632316300.db2.gz NAVGWNNHNVRZBY-NSHDSACASA-N 1 0 320.339 3.129 20 10 DGCDRO CC[C@@H](CC(F)F)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000851713343 632472690 /nfs/dbraw/zinc/47/26/90/632472690.db2.gz BTHHWEBNLRWYBN-AWEZNQCLSA-N 1 0 312.404 3.499 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1 ZINC000852036476 632543560 /nfs/dbraw/zinc/54/35/60/632543560.db2.gz YQPNXJPXZQZCCO-GJZGRUSLSA-N 1 0 318.383 3.180 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184801003 660187679 /nfs/dbraw/zinc/18/76/79/660187679.db2.gz VBSIZDFXYCEKEV-LJQANCHMSA-N 1 0 310.441 3.489 20 10 DGCDRO COCC1=CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000185035361 660199890 /nfs/dbraw/zinc/19/98/90/660199890.db2.gz UQXYNAWTDQLPTH-UHFFFAOYSA-N 1 0 305.418 3.174 20 10 DGCDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185021312 660198986 /nfs/dbraw/zinc/19/89/86/660198986.db2.gz CAQXYSCMJIGEGA-LLVKDONJSA-N 1 0 302.349 3.341 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccccc2C)c1 ZINC000185185946 660206779 /nfs/dbraw/zinc/20/67/79/660206779.db2.gz YURNRILNNKGFGT-AWEZNQCLSA-N 1 0 301.386 3.439 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1O ZINC000185199607 660206884 /nfs/dbraw/zinc/20/68/84/660206884.db2.gz JLHHUBXJCMIHFB-WBVHZDCISA-N 1 0 307.434 3.474 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCOCC2CCOCC2)c1 ZINC000185520086 660226916 /nfs/dbraw/zinc/22/69/16/660226916.db2.gz RFROXIVJDAWXLY-OAHLLOKOSA-N 1 0 307.434 3.185 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc1 ZINC000186091205 660266496 /nfs/dbraw/zinc/26/64/96/660266496.db2.gz MOIBFUYMWGDLIB-UHFFFAOYSA-N 1 0 321.424 3.198 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1cc(F)ccc1O ZINC000186230773 660350521 /nfs/dbraw/zinc/35/05/21/660350521.db2.gz CAVVEUFUNNVVMQ-JSGCOSHPSA-N 1 0 309.381 3.258 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c(O)c1 ZINC000186230604 660350676 /nfs/dbraw/zinc/35/06/76/660350676.db2.gz QHAKACTYUQWQKB-LSDHHAIUSA-N 1 0 305.418 3.427 20 10 DGCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000186460715 660445260 /nfs/dbraw/zinc/44/52/60/660445260.db2.gz KTVUUBHJJVDKQJ-GOEBONIOSA-N 1 0 319.449 3.024 20 10 DGCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000186752199 660573144 /nfs/dbraw/zinc/57/31/44/660573144.db2.gz QLZDIYUIRKVCDL-UONOGXRCSA-N 1 0 320.433 3.218 20 10 DGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000701145070 660657274 /nfs/dbraw/zinc/65/72/74/660657274.db2.gz XKIOPMSJSXKXNF-GFCCVEGCSA-N 1 0 314.223 3.202 20 10 DGCDRO CCOCC[N@H+](CC)Cc1ccc(Br)cc1O ZINC000701171410 660659444 /nfs/dbraw/zinc/65/94/44/660659444.db2.gz BNHWAFSAYMFSLV-UHFFFAOYSA-N 1 0 302.212 3.013 20 10 DGCDRO CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001035876988 660858741 /nfs/dbraw/zinc/85/87/41/660858741.db2.gz ZAFRLJNEXNYAFP-NVXWUHKLSA-N 1 0 318.461 3.130 20 10 DGCDRO Cc1cc(C)c(C[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000706809692 660873436 /nfs/dbraw/zinc/87/34/36/660873436.db2.gz JCYXILALJHJPTM-UHFFFAOYSA-N 1 0 321.218 3.456 20 10 DGCDRO CCC(CC)(CO)C[NH2+]Cc1c(O)cccc1Br ZINC000706829121 660874135 /nfs/dbraw/zinc/87/41/35/660874135.db2.gz LGAQIFOXNGBCBI-UHFFFAOYSA-N 1 0 316.239 3.043 20 10 DGCDRO Oc1cccc(Br)c1C[NH+]1CCC(F)(F)CC1 ZINC000707128882 660889707 /nfs/dbraw/zinc/88/97/07/660889707.db2.gz CMHXXPORIVEXFR-UHFFFAOYSA-N 1 0 306.150 3.386 20 10 DGCDRO CO[C@@]1(C)CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707146314 660893725 /nfs/dbraw/zinc/89/37/25/660893725.db2.gz NBHKGFPIMAFEKW-AWEZNQCLSA-N 1 0 314.223 3.156 20 10 DGCDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792827826 660986910 /nfs/dbraw/zinc/98/69/10/660986910.db2.gz FKKDRBOKKOSEAD-GFCCVEGCSA-N 1 0 316.367 3.382 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@H]1C ZINC000792977617 660998074 /nfs/dbraw/zinc/99/80/74/660998074.db2.gz MMRXBNAEWWNXAE-MPGHIAIKSA-N 1 0 318.461 3.128 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C2(CO)CCCC2)c(C(F)(F)F)c1 ZINC000793048860 661002068 /nfs/dbraw/zinc/00/20/68/661002068.db2.gz VLJPPILOJWLOEH-UHFFFAOYSA-N 1 0 316.367 3.166 20 10 DGCDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000793602247 661049059 /nfs/dbraw/zinc/04/90/59/661049059.db2.gz VUJMSKLWDQNHPK-ZDUSSCGKSA-N 1 0 320.433 3.014 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)cc1C ZINC000794650774 661096122 /nfs/dbraw/zinc/09/61/22/661096122.db2.gz MSGCFZXDAVAFDS-CMPLNLGQSA-N 1 0 303.324 3.482 20 10 DGCDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000794706327 661100049 /nfs/dbraw/zinc/10/00/49/661100049.db2.gz OVZRDCCQHSSANP-BBRMVZONSA-N 1 0 305.418 3.076 20 10 DGCDRO CC[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccc(C)cc1O ZINC000794809910 661106563 /nfs/dbraw/zinc/10/65/63/661106563.db2.gz RUOWIXPCXCOIEU-MRXNPFEDSA-N 1 0 304.434 3.144 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1ccc(C)cc1O ZINC000794810877 661106689 /nfs/dbraw/zinc/10/66/89/661106689.db2.gz NDAMLLFRJKRHRR-AEFFLSMTSA-N 1 0 318.461 3.388 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1O ZINC000794818595 661106973 /nfs/dbraw/zinc/10/69/73/661106973.db2.gz VRGOKIYMONDCNP-SJLPKXTDSA-N 1 0 317.404 3.484 20 10 DGCDRO CNC(=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000795600539 661163366 /nfs/dbraw/zinc/16/33/66/661163366.db2.gz GWIHLXSTAOPJIL-HNNXBMFYSA-N 1 0 318.804 3.013 20 10 DGCDRO COc1cc(C[NH+]2CCC(C(F)(F)F)CC2)c(O)cc1C ZINC000160311382 655605609 /nfs/dbraw/zinc/60/56/09/655605609.db2.gz PJVNSSSGTGPADX-UHFFFAOYSA-N 1 0 303.324 3.484 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](O)c2ccccc2)c1 ZINC000289538160 655631590 /nfs/dbraw/zinc/63/15/90/655631590.db2.gz WPMYQHOAVQNDJQ-SUMWQHHRSA-N 1 0 301.386 3.175 20 10 DGCDRO C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1cc2c(cc1O)CCC2 ZINC000795694240 661168247 /nfs/dbraw/zinc/16/82/47/661168247.db2.gz OSAAHCFVSUVOIY-BONVTDFDSA-N 1 0 315.335 3.033 20 10 DGCDRO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697246 661168400 /nfs/dbraw/zinc/16/84/00/661168400.db2.gz CAJNXWKHSXNFNK-DNVCBOLYSA-N 1 0 314.473 3.330 20 10 DGCDRO CNC(=O)C[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)c1ccccc1 ZINC000795849980 661175831 /nfs/dbraw/zinc/17/58/31/661175831.db2.gz SAUQBMALZZTGKC-YOEHRIQHSA-N 1 0 312.413 3.229 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccn1 ZINC000158690050 655788502 /nfs/dbraw/zinc/78/85/02/655788502.db2.gz PICPWLQLFBGRLB-OAHLLOKOSA-N 1 0 313.470 3.486 20 10 DGCDRO CC[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Cl)ccc1O ZINC000798005570 661187241 /nfs/dbraw/zinc/18/72/41/661187241.db2.gz WVUGTWNRQDMJPA-XCLFUZPHSA-N 1 0 315.866 3.388 20 10 DGCDRO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccccc2O)c1 ZINC000795911323 661178936 /nfs/dbraw/zinc/17/89/36/661178936.db2.gz JUVCIFNZUNLECN-UHFFFAOYSA-N 1 0 305.761 3.122 20 10 DGCDRO COc1cc(Br)cc(C[NH+]2CCC(C)CC2)c1O ZINC000158846709 655854621 /nfs/dbraw/zinc/85/46/21/655854621.db2.gz QWVHMYRIRUGBCS-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO CC[N@H+](Cc1cnn2ccccc12)Cc1ccc(N(C)C)cc1 ZINC000179491344 655893886 /nfs/dbraw/zinc/89/38/86/655893886.db2.gz WDEOVIHXHAKJOI-UHFFFAOYSA-N 1 0 308.429 3.422 20 10 DGCDRO CN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000179584569 655909426 /nfs/dbraw/zinc/90/94/26/655909426.db2.gz ZQNANYGIWHHQCH-HNNXBMFYSA-N 1 0 320.433 3.224 20 10 DGCDRO CCOC[C@@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000177628741 655936259 /nfs/dbraw/zinc/93/62/59/655936259.db2.gz GSOAGVPKABOADR-CQSZACIVSA-N 1 0 315.413 3.412 20 10 DGCDRO CCOC[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000177628751 655936301 /nfs/dbraw/zinc/93/63/01/655936301.db2.gz GSOAGVPKABOADR-AWEZNQCLSA-N 1 0 315.413 3.412 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000715103776 661208320 /nfs/dbraw/zinc/20/83/20/661208320.db2.gz OKWIASASWIMLBA-IHRRRGAJSA-N 1 0 320.433 3.346 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CCCC12OCCO2 ZINC000715596912 661212866 /nfs/dbraw/zinc/21/28/66/661212866.db2.gz AQHPDZAVWWJEMC-GOSISDBHSA-N 1 0 316.445 3.062 20 10 DGCDRO CC[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccccc1O ZINC000311826369 656016241 /nfs/dbraw/zinc/01/62/41/656016241.db2.gz RGAXIKVZWLSYIK-CYBMUJFWSA-N 1 0 324.222 3.092 20 10 DGCDRO OC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000293906646 656055840 /nfs/dbraw/zinc/05/58/40/656055840.db2.gz FTOQMUBUZWASIP-GOSISDBHSA-N 1 0 302.462 3.271 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(N(C)C)CCCCC2)c1 ZINC000314422468 656071551 /nfs/dbraw/zinc/07/15/51/656071551.db2.gz XUPFRJZLRPUMNT-AWEZNQCLSA-N 1 0 306.450 3.316 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)CC2 ZINC000716235147 661220247 /nfs/dbraw/zinc/22/02/47/661220247.db2.gz AQBDXASHHYOYIV-MSOLQXFVSA-N 1 0 308.425 3.244 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(F)ccc1O ZINC000185443834 656126466 /nfs/dbraw/zinc/12/64/66/656126466.db2.gz QAPUFFBBNAEICK-GFCCVEGCSA-N 1 0 302.349 3.211 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000296660273 656168542 /nfs/dbraw/zinc/16/85/42/656168542.db2.gz ZRWRJBDZXFBWCL-FRQCXROJSA-N 1 0 320.477 3.235 20 10 DGCDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000191564968 656170784 /nfs/dbraw/zinc/17/07/84/656170784.db2.gz XAMKVCDYHJRKJR-CZUORRHYSA-N 1 0 303.377 3.094 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c1O ZINC000191779884 656172467 /nfs/dbraw/zinc/17/24/67/656172467.db2.gz ZXIXMHNCZZBPLL-OXJNMPFZSA-N 1 0 313.441 3.420 20 10 DGCDRO [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000312750998 656196603 /nfs/dbraw/zinc/19/66/03/656196603.db2.gz XBZQAPUQPOQPGN-NHYWBVRUSA-N 1 0 315.244 3.260 20 10 DGCDRO CCCN(Cc1ccc(OC)c(C#N)c1)c1ccc(C[NH3+])cc1 ZINC000194981127 656207100 /nfs/dbraw/zinc/20/71/00/656207100.db2.gz QWQWEKSMQUHCQL-UHFFFAOYSA-N 1 0 309.413 3.442 20 10 DGCDRO C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(F)ccc1O ZINC000317536499 656628768 /nfs/dbraw/zinc/62/87/68/656628768.db2.gz KXOWZZOBFOXUKX-MLGOLLRUSA-N 1 0 305.397 3.493 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000319751309 657165313 /nfs/dbraw/zinc/16/53/13/657165313.db2.gz UPTCBLVBCWTYEY-PBHICJAKSA-N 1 0 312.413 3.243 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1O ZINC000320188097 657431451 /nfs/dbraw/zinc/43/14/51/657431451.db2.gz OZGKWRAXXFYHRQ-SMDDNHRTSA-N 1 0 311.385 3.364 20 10 DGCDRO COC[C@H]1C[N@H+](Cc2cc(C(C)C)c(C)cc2O)C[C@H](C)O1 ZINC000253295042 657667551 /nfs/dbraw/zinc/66/75/51/657667551.db2.gz MQJZEDXUZGUWAE-GOEBONIOSA-N 1 0 307.434 3.060 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C(C)C)cc1C ZINC000959882645 657720417 /nfs/dbraw/zinc/72/04/17/657720417.db2.gz CKHLNAXWEKZQIM-KRWDZBQOSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](CC(C)C)N(C)C)c1O ZINC000228670783 657999387 /nfs/dbraw/zinc/99/93/87/657999387.db2.gz GVHCRESQXOAZSE-CQSZACIVSA-N 1 0 314.857 3.120 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)c1 ZINC000305775241 658041926 /nfs/dbraw/zinc/04/19/26/658041926.db2.gz NHEWZKNAFXFIJT-BMLIUANNSA-N 1 0 323.339 3.063 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321328308 658166279 /nfs/dbraw/zinc/16/62/79/658166279.db2.gz JBNHCRWPDACELV-ZJUUUORDSA-N 1 0 315.348 3.113 20 10 DGCDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](CC)C1 ZINC001037758912 658342151 /nfs/dbraw/zinc/34/21/51/658342151.db2.gz KZOHLNFUYNBICD-SJORKVTESA-N 1 0 318.461 3.130 20 10 DGCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)Cc1ccccc1Cl ZINC000016352955 658417891 /nfs/dbraw/zinc/41/78/91/658417891.db2.gz IZRUCRZWYWDTPT-UHFFFAOYSA-N 1 0 305.761 3.406 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(C)(C)C)C2)cc1C ZINC000967134449 658544494 /nfs/dbraw/zinc/54/44/94/658544494.db2.gz OSPMSFKYZYTSBW-MRXNPFEDSA-N 1 0 318.461 3.130 20 10 DGCDRO CC[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000156270624 658741639 /nfs/dbraw/zinc/74/16/39/658741639.db2.gz XNRZDFVZHBGECE-AWEZNQCLSA-N 1 0 306.406 3.052 20 10 DGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164271434 658923174 /nfs/dbraw/zinc/92/31/74/658923174.db2.gz CVKQBBHXKDFARX-UHFFFAOYSA-N 1 0 320.433 3.062 20 10 DGCDRO CC[C@H]([NH2+]CCCNC(=O)c1occc1C)c1ccccc1O ZINC000156644252 658931664 /nfs/dbraw/zinc/93/16/64/658931664.db2.gz NUVDVXIONGPLKO-HNNXBMFYSA-N 1 0 316.401 3.154 20 10 DGCDRO COC[C@H]1CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164456278 658935030 /nfs/dbraw/zinc/93/50/30/658935030.db2.gz DDQBOULONFFTQM-CQSZACIVSA-N 1 0 307.434 3.309 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000164469025 658935217 /nfs/dbraw/zinc/93/52/17/658935217.db2.gz FXDWDEGNEHZKLD-SFHVURJKSA-N 1 0 319.445 3.169 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC000164457210 658935599 /nfs/dbraw/zinc/93/55/99/658935599.db2.gz BTZBEUVSTLVARJ-CYBMUJFWSA-N 1 0 316.367 3.077 20 10 DGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C1CC1 ZINC000157524486 659067112 /nfs/dbraw/zinc/06/71/12/659067112.db2.gz GXAOYNXQXJPDDM-IBGZPJMESA-N 1 0 302.462 3.438 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000158225399 659151327 /nfs/dbraw/zinc/15/13/27/659151327.db2.gz SFLQXPNDUJSRAR-QUCCMNQESA-N 1 0 312.457 3.397 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cc1C(C)C ZINC000170728626 659231546 /nfs/dbraw/zinc/23/15/46/659231546.db2.gz GZRZQQRYIJHYFE-HNNXBMFYSA-N 1 0 318.461 3.302 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](SC)C2)c1O ZINC000230934998 659357570 /nfs/dbraw/zinc/35/75/70/659357570.db2.gz QHPLAPLMDYHWSZ-NEPJUHHUSA-N 1 0 301.839 3.428 20 10 DGCDRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1ccccc1O ZINC000230950814 659359327 /nfs/dbraw/zinc/35/93/27/659359327.db2.gz CMCIGFGVXKKAHH-OAHLLOKOSA-N 1 0 322.449 3.279 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000179887939 659945690 /nfs/dbraw/zinc/94/56/90/659945690.db2.gz PXZVHAKJGAVGAI-SFHVURJKSA-N 1 0 316.445 3.204 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](CCO)Cc2ccc(C)cc2)c1 ZINC000180844798 659971798 /nfs/dbraw/zinc/97/17/98/659971798.db2.gz NXUOORITEVKKHW-UHFFFAOYSA-N 1 0 315.413 3.094 20 10 DGCDRO CCN(CC)C(=O)C1([NH2+]Cc2cccc(C)c2O)CCCCC1 ZINC000181987120 660028903 /nfs/dbraw/zinc/02/89/03/660028903.db2.gz MRXOPGAADZPBKM-UHFFFAOYSA-N 1 0 318.461 3.362 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000182367062 660048226 /nfs/dbraw/zinc/04/82/26/660048226.db2.gz KBLSPPFRQJDWRQ-SNVBAGLBSA-N 1 0 320.320 3.299 20 10 DGCDRO COCC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183148239 660103022 /nfs/dbraw/zinc/10/30/22/660103022.db2.gz KRLYAKGIDLVSMY-UHFFFAOYSA-N 1 0 315.413 3.486 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cn(C)nc2C(C)(C)C)cc1 ZINC000183376282 660109132 /nfs/dbraw/zinc/10/91/32/660109132.db2.gz VWSKKUJPVYFRAO-UHFFFAOYSA-N 1 0 314.477 3.416 20 10 DGCDRO C[C@@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccccc1O ZINC000183398130 660109581 /nfs/dbraw/zinc/10/95/81/660109581.db2.gz HFMABUYUEJNGDS-MRXNPFEDSA-N 1 0 310.441 3.491 20 10 DGCDRO C[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000183405048 660110259 /nfs/dbraw/zinc/11/02/59/660110259.db2.gz FBKQEYSMCWRZOZ-HNNXBMFYSA-N 1 0 307.397 3.471 20 10 DGCDRO CCCN(Cc1nc(COC(C)C)no1)Cc1ccccc1O ZINC000929753745 661334835 /nfs/dbraw/zinc/33/48/35/661334835.db2.gz VJYDPZBNSKTMFM-UHFFFAOYSA-N 1 0 319.405 3.112 20 10 DGCDRO CCCC[N@H+](Cc1cnn(CCF)c1)Cc1ccccc1O ZINC000930351651 661391723 /nfs/dbraw/zinc/39/17/23/661391723.db2.gz QGXDZRFNWYJQEH-UHFFFAOYSA-N 1 0 305.397 3.361 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)ccc1N(C)C ZINC000932130485 661540198 /nfs/dbraw/zinc/54/01/98/661540198.db2.gz MECSGCIPXVVVNI-QGZVFWFLSA-N 1 0 312.461 3.174 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccccc1O ZINC000155504684 661847972 /nfs/dbraw/zinc/84/79/72/661847972.db2.gz AALQHJLBAJVWGX-QGZVFWFLSA-N 1 0 312.413 3.139 20 10 DGCDRO CC1CCN(c2ccc(CNC(=O)CCCCC[NH3+])cc2)CC1 ZINC000155675997 661850723 /nfs/dbraw/zinc/85/07/23/661850723.db2.gz QWPNGGFRBCRPTO-UHFFFAOYSA-N 1 0 317.477 3.058 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(OC)c(F)c2)c(O)cc1C ZINC000159500683 661889446 /nfs/dbraw/zinc/88/94/46/661889446.db2.gz BBLKVHFTFXLWBN-UHFFFAOYSA-N 1 0 319.376 3.489 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000159577193 661890876 /nfs/dbraw/zinc/89/08/76/661890876.db2.gz KEACHUCFBQKTCR-HNNXBMFYSA-N 1 0 306.475 3.149 20 10 DGCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc(OC)c1O ZINC000187995658 661911201 /nfs/dbraw/zinc/91/12/01/661911201.db2.gz OEYGMXKIRCIXNS-KRWDZBQOSA-N 1 0 315.413 3.090 20 10 DGCDRO C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccccc1O ZINC000188519537 661933796 /nfs/dbraw/zinc/93/37/96/661933796.db2.gz WBJHJSFVNCFZOT-LBPRGKRZSA-N 1 0 316.367 3.317 20 10 DGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(C)c2O)CC1 ZINC000189994759 662001122 /nfs/dbraw/zinc/00/11/22/662001122.db2.gz XPRJEIOHQBSEKE-AWEZNQCLSA-N 1 0 320.433 3.047 20 10 DGCDRO C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000192691165 662108266 /nfs/dbraw/zinc/10/82/66/662108266.db2.gz NZWSQZBVPWHDDZ-GHMZBOCLSA-N 1 0 312.385 3.095 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000193949891 662153537 /nfs/dbraw/zinc/15/35/37/662153537.db2.gz HLVKPPIYQQFPEO-KZNAEPCWSA-N 1 0 300.446 3.190 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000194683704 662171343 /nfs/dbraw/zinc/17/13/43/662171343.db2.gz ZXEFJTHSFIFQBQ-NSHDSACASA-N 1 0 302.330 3.160 20 10 DGCDRO CCCN(Cc1ccc(C(=O)OCC)o1)c1ccc(C[NH3+])cc1 ZINC000194981461 662176547 /nfs/dbraw/zinc/17/65/47/662176547.db2.gz BMLHWIOVSOIKOK-UHFFFAOYSA-N 1 0 316.401 3.332 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCOCC2CC2)c1O ZINC000088558715 662232419 /nfs/dbraw/zinc/23/24/19/662232419.db2.gz MMFWAEGGRCTBOQ-UHFFFAOYSA-N 1 0 311.809 3.107 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)ccc21 ZINC000245947216 662245300 /nfs/dbraw/zinc/24/53/00/662245300.db2.gz VVSMCLAXZLIYNQ-BHIYHBOVSA-N 1 0 314.473 3.362 20 10 DGCDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCC([NH3+])CC1 ZINC000091843622 662321337 /nfs/dbraw/zinc/32/13/37/662321337.db2.gz VXJZNJMCJWCXHN-UHFFFAOYSA-N 1 0 303.233 3.401 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C)O1 ZINC000247671448 662327177 /nfs/dbraw/zinc/32/71/77/662327177.db2.gz PXPXULYQJGJVKB-DOMZBBRYSA-N 1 0 307.434 3.395 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccnc1 ZINC000092739794 662335273 /nfs/dbraw/zinc/33/52/73/662335273.db2.gz OKPWAXJNYVDHMK-HNNXBMFYSA-N 1 0 313.470 3.486 20 10 DGCDRO OCc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000093319288 662352342 /nfs/dbraw/zinc/35/23/42/662352342.db2.gz OGAGTIOUNYJXMV-UHFFFAOYSA-N 1 0 301.386 3.422 20 10 DGCDRO COc1cccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1O ZINC000093324806 662352593 /nfs/dbraw/zinc/35/25/93/662352593.db2.gz IFBYATLEIJMXFA-CYBMUJFWSA-N 1 0 301.386 3.169 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c1 ZINC000093476261 662355457 /nfs/dbraw/zinc/35/54/57/662355457.db2.gz NHSJSQYJBJLMPK-QGZVFWFLSA-N 1 0 307.434 3.428 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000093692292 662359189 /nfs/dbraw/zinc/35/91/89/662359189.db2.gz MJFGMXGUEQGGNG-UHFFFAOYSA-N 1 0 318.442 3.175 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CC)c1cc(Br)ccc1O)[C@@H](C)O ZINC000386737622 685179726 /nfs/dbraw/zinc/17/97/26/685179726.db2.gz XGZHESWKNOOCHL-WQAKAFBOSA-N 1 0 316.239 3.355 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@](C)(CO)c2ccccc2)c1O ZINC000389612133 685194697 /nfs/dbraw/zinc/19/46/97/685194697.db2.gz YCAABABUJUQOGQ-QGZVFWFLSA-N 1 0 321.804 3.052 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC(C)(C)[NH3+] ZINC000390018492 685199072 /nfs/dbraw/zinc/19/90/72/685199072.db2.gz RUHYUXCAVNADTM-UHFFFAOYSA-N 1 0 317.477 3.153 20 10 DGCDRO COCCCC[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000397098090 685228966 /nfs/dbraw/zinc/22/89/66/685228966.db2.gz BQZXSUXHIRGJRB-UHFFFAOYSA-N 1 0 302.212 3.013 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)CC(F)(F)F ZINC000396980434 685229032 /nfs/dbraw/zinc/22/90/32/685229032.db2.gz VKVOMMUJJULXCR-CYBMUJFWSA-N 1 0 316.367 3.201 20 10 DGCDRO FC(F)(F)OCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000398162345 685235435 /nfs/dbraw/zinc/23/54/35/685235435.db2.gz JVPZBTNCDDOBFL-UHFFFAOYSA-N 1 0 302.340 3.303 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNc2nc3cccc(F)c3o2)cc1 ZINC001578424729 1191942593 /nfs/dbraw/zinc/94/25/93/1191942593.db2.gz SWTPUGPOEHHDQW-AWEZNQCLSA-N 1 0 314.364 3.145 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCCC2(C)C)cc1 ZINC001578424490 1191942863 /nfs/dbraw/zinc/94/28/63/1191942863.db2.gz JBPCAGVEXIRNSV-DLBZAZTESA-N 1 0 317.477 3.085 20 10 DGCDRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC001579370393 1191974667 /nfs/dbraw/zinc/97/46/67/1191974667.db2.gz QWCLZAFMKXYESQ-DJIMGWMZSA-N 1 0 307.507 3.016 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)N(Cc1cc(Cl)c(F)cc1O)CCO2 ZINC001580340546 1192022898 /nfs/dbraw/zinc/02/28/98/1192022898.db2.gz CHSHHANEPZLQGW-UHFFFAOYSA-N 1 0 322.767 3.042 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cn3ccccc3n2)cc1 ZINC001620699229 1192070045 /nfs/dbraw/zinc/07/00/45/1192070045.db2.gz IEYDGLOVIBUIFM-AATRIKPKSA-N 1 0 306.413 3.203 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)CC2CCCC2)cc1F ZINC001620914802 1192595883 /nfs/dbraw/zinc/59/58/83/1192595883.db2.gz HEKBDTHEOQWLSK-CQSZACIVSA-N 1 0 312.404 3.062 20 10 DGCDRO Cc1cccc(C[N@@H+](C)[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001592230120 1192603694 /nfs/dbraw/zinc/60/36/94/1192603694.db2.gz LYVZEULRRYLRGJ-CYBMUJFWSA-N 1 0 323.400 3.074 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)cc1F ZINC001621009119 1192780064 /nfs/dbraw/zinc/78/00/64/1192780064.db2.gz SFZJRSUWHCYXEE-GOSISDBHSA-N 1 0 308.441 3.313 20 10 DGCDRO CCC[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181751543 1177815740 /nfs/dbraw/zinc/81/57/40/1177815740.db2.gz YRJKGKWLEITVPN-RHSMWYFYSA-N 1 0 318.461 3.130 20 10 DGCDRO CCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000110935848 1177876000 /nfs/dbraw/zinc/87/60/00/1177876000.db2.gz UIJFHALMSKLOCX-LBPRGKRZSA-N 1 0 303.233 3.273 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCOC[C@@H]1CCOC1 ZINC001254720839 1178081778 /nfs/dbraw/zinc/08/17/78/1178081778.db2.gz AIXNCQVHKPZDGG-PMPSAXMXSA-N 1 0 319.445 3.282 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001331056758 1178124886 /nfs/dbraw/zinc/12/48/86/1178124886.db2.gz ADQPAAQMBWRKAZ-MJGOQNOKSA-N 1 0 314.404 3.375 20 10 DGCDRO CCOc1ccc(C[NH+]2CC(CC3CCOCC3)C2)c(O)c1 ZINC001331566079 1178249371 /nfs/dbraw/zinc/24/93/71/1178249371.db2.gz LWOMZIFPNNBLFK-UHFFFAOYSA-N 1 0 305.418 3.039 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cc(N(C)C)ccn1 ZINC001331995170 1178332361 /nfs/dbraw/zinc/33/23/61/1178332361.db2.gz BNRCRKQYIVRKHD-CZUORRHYSA-N 1 0 311.429 3.500 20 10 DGCDRO Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001334329388 1178749366 /nfs/dbraw/zinc/74/93/66/1178749366.db2.gz FMFAQCJQYXVCFM-UHFFFAOYSA-N 1 0 310.445 3.188 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC001334343243 1178751477 /nfs/dbraw/zinc/75/14/77/1178751477.db2.gz VJSWAMGNBYTLLQ-HNNXBMFYSA-N 1 0 323.339 3.445 20 10 DGCDRO Nc1ccc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC001334774177 1178794938 /nfs/dbraw/zinc/79/49/38/1178794938.db2.gz FVKOYOPDDUGUDW-IBGZPJMESA-N 1 0 314.404 3.354 20 10 DGCDRO Cc1cnccc1CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001334889919 1178823008 /nfs/dbraw/zinc/82/30/08/1178823008.db2.gz BBLDOTAOXJVKKR-UHFFFAOYSA-N 1 0 305.372 3.067 20 10 DGCDRO CC[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccccc1O ZINC001334889198 1178823239 /nfs/dbraw/zinc/82/32/39/1178823239.db2.gz HVJUTFWAWPJYES-LBPRGKRZSA-N 1 0 313.323 3.385 20 10 DGCDRO COc1cc(Br)cc(C[NH2+]CCCC(F)F)c1O ZINC001335018795 1178844014 /nfs/dbraw/zinc/84/40/14/1178844014.db2.gz UIWYOBFQNHVCHN-UHFFFAOYSA-N 1 0 324.165 3.298 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC(F)(F)F ZINC001335893914 1178967710 /nfs/dbraw/zinc/96/77/10/1178967710.db2.gz WVIQGERAPLVECN-OAHLLOKOSA-N 1 0 316.367 3.080 20 10 DGCDRO C[C@H](NC(=O)CCCCC1CC[NH2+]CC1)c1ccccc1O ZINC001341541299 1179025240 /nfs/dbraw/zinc/02/52/40/1179025240.db2.gz PZAVWRUJUZTFCQ-AWEZNQCLSA-N 1 0 304.434 3.129 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCS[C@H](C)C2)c1O ZINC001343288370 1179251855 /nfs/dbraw/zinc/25/18/55/1179251855.db2.gz UHDJSXKTTHWPMH-SKDRFNHKSA-N 1 0 301.839 3.428 20 10 DGCDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(N5CCCC5)cc4)[C@H]1[C@H]3C2 ZINC001343287877 1179252440 /nfs/dbraw/zinc/25/24/40/1179252440.db2.gz YOYVLWFSEHPQOT-CZKCSJLSSA-N 1 0 312.457 3.142 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN(CC(F)F)C1 ZINC001345143628 1179532424 /nfs/dbraw/zinc/53/24/24/1179532424.db2.gz WIVWMLYJIGOMTF-AGIUHOORSA-N 1 0 310.388 3.178 20 10 DGCDRO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc2ccccc2c1O ZINC001347710368 1179816307 /nfs/dbraw/zinc/81/63/07/1179816307.db2.gz XKHQSDCVGUQEGR-UHFFFAOYSA-N 1 0 320.392 3.276 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c(O)c1OC ZINC001355253548 1181021720 /nfs/dbraw/zinc/02/17/20/1181021720.db2.gz SCWFOZWNQZLRJW-LBPRGKRZSA-N 1 0 319.405 3.038 20 10 DGCDRO CCc1csc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001458681116 1182549373 /nfs/dbraw/zinc/54/93/73/1182549373.db2.gz LAHQOQQVPSOMBN-INIZCTEOSA-N 1 0 318.490 3.486 20 10 DGCDRO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C[NH+]1CCCCC1 ZINC001461084056 1182765249 /nfs/dbraw/zinc/76/52/49/1182765249.db2.gz FGGRNXLIILPIKC-GFCCVEGCSA-N 1 0 314.832 3.396 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1Cn1cccn1 ZINC001461121835 1182770431 /nfs/dbraw/zinc/77/04/31/1182770431.db2.gz OTAWZIRIJOSLCK-INIZCTEOSA-N 1 0 311.429 3.386 20 10 DGCDRO CC[C@H]1CCCCN1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461182749 1182779861 /nfs/dbraw/zinc/77/98/61/1182779861.db2.gz QSKAFPNAURPPJK-SFHVURJKSA-N 1 0 302.462 3.366 20 10 DGCDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001461267816 1182789677 /nfs/dbraw/zinc/78/96/77/1182789677.db2.gz QNMNUJTUXHLQGT-XFQAVAEZSA-N 1 0 309.475 3.173 20 10 DGCDRO CC1(C)CCC[C@](CO)([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001461639927 1182835859 /nfs/dbraw/zinc/83/58/59/1182835859.db2.gz BTDPPESGSVWNJJ-IBGZPJMESA-N 1 0 303.446 3.433 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)cc1C ZINC001461811191 1182857904 /nfs/dbraw/zinc/85/79/04/1182857904.db2.gz NAAPXVVTRFNQBH-PKOBYXMFSA-N 1 0 316.445 3.075 20 10 DGCDRO COc1ccc(N(C)Cc2ccnn2-c2cc[nH+]cc2)cc1F ZINC001462076566 1182904968 /nfs/dbraw/zinc/90/49/68/1182904968.db2.gz SGHDLZOWANEYHQ-UHFFFAOYSA-N 1 0 312.348 3.051 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC001462303984 1182936819 /nfs/dbraw/zinc/93/68/19/1182936819.db2.gz CUCPBMZYDRRAFO-IRXDYDNUSA-N 1 0 305.418 3.099 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC001462377204 1182943650 /nfs/dbraw/zinc/94/36/50/1182943650.db2.gz PXFTWUJTXLBPPA-HMECNJMJSA-N 1 0 300.446 3.267 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC001462461438 1182956864 /nfs/dbraw/zinc/95/68/64/1182956864.db2.gz GMFRTUDEBRXLKM-UHFFFAOYSA-N 1 0 307.821 3.437 20 10 DGCDRO COC(=O)C(C)(C)C[N@@H+](Cc1ccc(C)cc1O)CC(C)C ZINC001462544423 1182967178 /nfs/dbraw/zinc/96/71/78/1182967178.db2.gz WBWMBMMIOLIXDV-UHFFFAOYSA-N 1 0 307.434 3.358 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(c3cncn3C)CC2)cc1 ZINC001462666429 1182983389 /nfs/dbraw/zinc/98/33/89/1182983389.db2.gz KMTNCSZBWUPIQR-PLNGDYQASA-N 1 0 324.472 3.379 20 10 DGCDRO COC(=O)c1ccc(F)c(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC001473722843 1183793471 /nfs/dbraw/zinc/79/34/71/1183793471.db2.gz PZAFOABXKSMLHU-LLVKDONJSA-N 1 0 303.333 3.169 20 10 DGCDRO Cc1cc(C[N@H+]2CCN(C)C[C@@H]2CC(C)C)ccc1N(C)C ZINC001473824270 1183807257 /nfs/dbraw/zinc/80/72/57/1183807257.db2.gz DURWSGGKUXOTSS-SFHVURJKSA-N 1 0 303.494 3.223 20 10 DGCDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC001474242273 1183888468 /nfs/dbraw/zinc/88/84/68/1183888468.db2.gz HREKELNWMIBCFR-FQEVSTJZSA-N 1 0 322.452 3.294 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3nsnc32)cc1 ZINC001474307242 1183902013 /nfs/dbraw/zinc/90/20/13/1183902013.db2.gz GWLIPZKIANSRCI-UHFFFAOYSA-N 1 0 312.442 3.389 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC001474378737 1183911696 /nfs/dbraw/zinc/91/16/96/1183911696.db2.gz GVEYRZGHMLCHQH-AJNOYIKESA-N 1 0 322.456 3.435 20 10 DGCDRO COc1cccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)c1O ZINC001474500230 1183931947 /nfs/dbraw/zinc/93/19/47/1183931947.db2.gz DWOOJZXXDSMMBT-UHFFFAOYSA-N 1 0 309.369 3.081 20 10 DGCDRO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)CC1 ZINC001474503761 1183932064 /nfs/dbraw/zinc/93/20/64/1183932064.db2.gz PYZIPNXJMCMCHE-CQSZACIVSA-N 1 0 308.853 3.209 20 10 DGCDRO C[C@H](O)[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1F ZINC001474611734 1183950321 /nfs/dbraw/zinc/95/03/21/1183950321.db2.gz PXAWDZTTZRMBIG-QFYYESIMSA-N 1 0 309.768 3.396 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC001474624297 1183951402 /nfs/dbraw/zinc/95/14/02/1183951402.db2.gz PPKJQEAVTZGGNN-LNMJFAINSA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)C2CC2)cc1C ZINC001480758216 1184601154 /nfs/dbraw/zinc/60/11/54/1184601154.db2.gz LNOJASOTVMGIMR-HUUCEWRRSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@@H](CNC(=O)[C@H](C)C1CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494960220 1184970427 /nfs/dbraw/zinc/97/04/27/1184970427.db2.gz IGYJCGCOTHZJEC-PBHICJAKSA-N 1 0 318.461 3.034 20 10 DGCDRO CCC[C@@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001539707379 1188200299 /nfs/dbraw/zinc/20/02/99/1188200299.db2.gz RCXHWQOUAIWBBG-CRAIPNDOSA-N 1 0 319.493 3.298 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCOc2ccc(F)cc2)cc1F ZINC001560264070 1189302012 /nfs/dbraw/zinc/30/20/12/1189302012.db2.gz NZQBIUZVFPJARQ-UHFFFAOYSA-N 1 0 306.356 3.199 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001560282930 1189305188 /nfs/dbraw/zinc/30/51/88/1189305188.db2.gz NHKFDURNYPOZFL-ONEGZZNKSA-N 1 0 311.385 3.464 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001560525798 1189337060 /nfs/dbraw/zinc/33/70/60/1189337060.db2.gz PIUARCDFKZCYEF-MQMHXKEQSA-N 1 0 316.367 3.429 20 10 DGCDRO CCOC(OCC)[C@@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC001560626512 1189350921 /nfs/dbraw/zinc/35/09/21/1189350921.db2.gz QJDAIKNBQMCGGA-LLVKDONJSA-N 1 0 301.814 3.231 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC(OCC3CC3)CC2)c(O)c1 ZINC001560661863 1189357241 /nfs/dbraw/zinc/35/72/41/1189357241.db2.gz JZMRQVJGVLQXKG-UHFFFAOYSA-N 1 0 305.418 3.100 20 10 DGCDRO Cc1nc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)sc1C ZINC001560662232 1189357386 /nfs/dbraw/zinc/35/73/86/1189357386.db2.gz TUHMAUHWHKTEKQ-UHFFFAOYSA-N 1 0 317.458 3.096 20 10 DGCDRO CC(C)C1(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001560714805 1189367707 /nfs/dbraw/zinc/36/77/07/1189367707.db2.gz BFXZTMASRHJWQA-UHFFFAOYSA-N 1 0 302.462 3.391 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(F)c1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560749247 1189374441 /nfs/dbraw/zinc/37/44/41/1189374441.db2.gz DHFXHZRXYPNANJ-DZGCQCFKSA-N 1 0 306.425 3.274 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC001560840091 1189392458 /nfs/dbraw/zinc/39/24/58/1189392458.db2.gz IOXQEZZVNUKUDP-UHFFFAOYSA-N 1 0 313.731 3.492 20 10 DGCDRO COC(=O)C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)(C)C ZINC001561024447 1189422484 /nfs/dbraw/zinc/42/24/84/1189422484.db2.gz UBLLASPKVUEPDQ-INIZCTEOSA-N 1 0 305.418 3.079 20 10 DGCDRO CC(C)(C)c1cnc(SC[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)s1 ZINC001575277297 1191472404 /nfs/dbraw/zinc/47/24/04/1191472404.db2.gz NEWLTNKUKYJGFB-XHDPSFHLSA-N 1 0 312.504 3.301 20 10 DGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C1COC1 ZINC001621353484 1193832095 /nfs/dbraw/zinc/83/20/95/1193832095.db2.gz RODDCBGLSARDKF-UHFFFAOYSA-N 1 0 316.367 3.381 20 10 DGCDRO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1O ZINC001621399759 1193837956 /nfs/dbraw/zinc/83/79/56/1193837956.db2.gz OWXUNHSKEKHGET-STQMWFEESA-N 1 0 323.408 3.474 20 10 DGCDRO CCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCN(C)C1 ZINC001621407241 1193838535 /nfs/dbraw/zinc/83/85/35/1193838535.db2.gz RYSLBWVCRWDLSL-OVKVCFKUSA-N 1 0 301.478 3.182 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c(O)c1 ZINC001621422856 1193841311 /nfs/dbraw/zinc/84/13/11/1193841311.db2.gz FXVFWRAGMFUHFI-KPZWWZAWSA-N 1 0 319.376 3.060 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]CCOC1CCSCC1 ZINC001621555378 1193858030 /nfs/dbraw/zinc/85/80/30/1193858030.db2.gz BQNDGAKIDXQOEA-UHFFFAOYSA-N 1 0 301.839 3.047 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001621567211 1193859240 /nfs/dbraw/zinc/85/92/40/1193859240.db2.gz GCASHHFFDCMGBG-GOSISDBHSA-N 1 0 301.361 3.495 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001631159031 1194322523 /nfs/dbraw/zinc/32/25/23/1194322523.db2.gz HBFPOKSYFKIUQN-QGZVFWFLSA-N 1 0 318.461 3.253 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)ccc1N1CCCCC1 ZINC001642906443 1194952998 /nfs/dbraw/zinc/95/29/98/1194952998.db2.gz RZCBDUPYIXPZBC-AEFFLSMTSA-N 1 0 302.462 3.188 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCC(C)(C)CO2)cc1 ZINC001646717684 1195236813 /nfs/dbraw/zinc/23/68/13/1195236813.db2.gz CVWCVDWXDOQZQT-GOSISDBHSA-N 1 0 320.477 3.268 20 10 DGCDRO C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@@H+]1C1CCCC1 ZINC001648327719 1195292545 /nfs/dbraw/zinc/29/25/45/1195292545.db2.gz LPPCAZVKQOASGI-INIZCTEOSA-N 1 0 301.478 3.201 20 10 DGCDRO CC(C)[NH+](CCNC/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC001648689328 1195322432 /nfs/dbraw/zinc/32/24/32/1195322432.db2.gz TWAKDODVVBXCBM-FPLPWBNLSA-N 1 0 303.494 3.474 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)cc1C ZINC001650863341 1195389835 /nfs/dbraw/zinc/38/98/35/1195389835.db2.gz DEPWOZSMFNOIGQ-KGYZHSKHSA-N 1 0 319.445 3.415 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC001650919127 1195395118 /nfs/dbraw/zinc/39/51/18/1195395118.db2.gz QZPDESGLUXIVPN-HKUYNNGSSA-N 1 0 300.446 3.334 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)ccc1OC ZINC001650919441 1195395200 /nfs/dbraw/zinc/39/52/00/1195395200.db2.gz XMYOWLOYXUAWIY-IEBWSBKVSA-N 1 0 319.445 3.279 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1C ZINC001651070846 1195409651 /nfs/dbraw/zinc/40/96/51/1195409651.db2.gz HASJZFZIXIRTJB-FUHWJXTLSA-N 1 0 323.477 3.031 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H](C)O ZINC001651073327 1195409826 /nfs/dbraw/zinc/40/98/26/1195409826.db2.gz GMRCJKKDFHOEDD-UZLBHIALSA-N 1 0 324.468 3.498 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCCO1 ZINC001651269067 1195435401 /nfs/dbraw/zinc/43/54/01/1195435401.db2.gz JEEKVIHYIJONNP-WBVHZDCISA-N 1 0 312.404 3.468 20 10 DGCDRO C[C@@H]1CC[C@](CO)([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC001651685036 1195496990 /nfs/dbraw/zinc/49/69/90/1195496990.db2.gz SYVKSAAPKZUASP-QVKFZJNVSA-N 1 0 323.436 3.496 20 10 DGCDRO COC(=O)[C@H](C)C[N@H+](Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC001652169133 1195557990 /nfs/dbraw/zinc/55/79/90/1195557990.db2.gz GBNUDZHYVWIHAE-LLVKDONJSA-N 1 0 311.809 3.128 20 10 DGCDRO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001652226475 1195565745 /nfs/dbraw/zinc/56/57/45/1195565745.db2.gz ATFNZCPVVMEYRO-SFHVURJKSA-N 1 0 304.434 3.006 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c1 ZINC001652471925 1195602309 /nfs/dbraw/zinc/60/23/09/1195602309.db2.gz VKGSTHZLIYCPCW-NRFANRHFSA-N 1 0 309.475 3.249 20 10 DGCDRO Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c(O)c1 ZINC001653098335 1195687493 /nfs/dbraw/zinc/68/74/93/1195687493.db2.gz XHPMFHXHKGNMJF-AZUAARDMSA-N 1 0 309.409 3.101 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)N(C)C)cc1 ZINC001653221787 1195701054 /nfs/dbraw/zinc/70/10/54/1195701054.db2.gz BIKYCRHUNJMKFM-LULLPPNCSA-N 1 0 301.478 3.134 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCCC23OCCO3)cc1 ZINC001653246667 1195703321 /nfs/dbraw/zinc/70/33/21/1195703321.db2.gz WFDYNENSTHWBKM-OOFWQKGWSA-N 1 0 316.445 3.041 20 10 DGCDRO COC1(OC)CC(C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC001653272163 1195705704 /nfs/dbraw/zinc/70/57/04/1195705704.db2.gz AKYYTFPRFWBTJE-UHFFFAOYSA-N 1 0 301.386 3.034 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@@H](CC(C)C)OC)CC2)cc1 ZINC001653840649 1195754238 /nfs/dbraw/zinc/75/42/38/1195754238.db2.gz LQJZXIYKOMOFSW-LJQANCHMSA-N 1 0 320.477 3.268 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccsc2)cc1Cn1cccn1 ZINC001655287743 1195900418 /nfs/dbraw/zinc/90/04/18/1195900418.db2.gz VMLOCYZKTNQOLT-UHFFFAOYSA-N 1 0 313.426 3.291 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC001655401476 1195913046 /nfs/dbraw/zinc/91/30/46/1195913046.db2.gz ZQHFDCXONAMVLD-QRVBRYPASA-N 1 0 302.462 3.268 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(O)c(F)c2)cc1 ZINC001655693762 1195951468 /nfs/dbraw/zinc/95/14/68/1195951468.db2.gz RXDYACXKHRBYNI-ARJAWSKDSA-N 1 0 300.377 3.400 20 10 DGCDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001655699112 1195952199 /nfs/dbraw/zinc/95/21/99/1195952199.db2.gz KTIMIUCJIJAMKX-GOSISDBHSA-N 1 0 304.478 3.421 20 10 DGCDRO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CO2 ZINC001655897028 1195975242 /nfs/dbraw/zinc/97/52/42/1195975242.db2.gz YFGVHIYQQOGTLO-HNNXBMFYSA-N 1 0 301.773 3.498 20 10 DGCDRO CCN1CCCC[C@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001656461654 1196042165 /nfs/dbraw/zinc/04/21/65/1196042165.db2.gz CAUSMQDGXWQZDD-FQQSSWHASA-N 1 0 301.478 3.230 20 10 DGCDRO c1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001656682307 1196061733 /nfs/dbraw/zinc/06/17/33/1196061733.db2.gz HNAOEHCZKQOWRM-HXUWFJFHSA-N 1 0 322.452 3.376 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccnc(OC)c2)cc1 ZINC001656751062 1196068296 /nfs/dbraw/zinc/06/82/96/1196068296.db2.gz HXJPENHNZLITKW-UHFFFAOYSA-N 1 0 313.445 3.269 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N1CCC[C@@H](C)C1 ZINC001656761412 1196069858 /nfs/dbraw/zinc/06/98/58/1196069858.db2.gz NZXYUMRLLXERRX-QZTJIDSGSA-N 1 0 315.505 3.497 20 10 DGCDRO CC[N@H+](Cc1ccc(C)cc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC001657209449 1196119096 /nfs/dbraw/zinc/11/90/96/1196119096.db2.gz XLANJBFLLXDOGH-GOSISDBHSA-N 1 0 324.424 3.328 20 10 DGCDRO COC(=O)c1c(C[N@H+](C)CCC2CC2)c2cc(F)ccc2n1C ZINC001657228710 1196120804 /nfs/dbraw/zinc/12/08/04/1196120804.db2.gz DXJXFRXZPSIPHM-UHFFFAOYSA-N 1 0 318.392 3.336 20 10 DGCDRO CC[C@H](C[N@H+](CC)Cc1cc(Br)ccc1O)OC ZINC001657431360 1196140771 /nfs/dbraw/zinc/14/07/71/1196140771.db2.gz LKXZZYLKADHYAQ-CYBMUJFWSA-N 1 0 316.239 3.402 20 10 DGCDRO Cc1cc(F)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001657459723 1196145328 /nfs/dbraw/zinc/14/53/28/1196145328.db2.gz JLGLORHSDYLEMW-UHFFFAOYSA-N 1 0 313.420 3.498 20 10 DGCDRO COC(=O)CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(C)C ZINC001657500189 1196149544 /nfs/dbraw/zinc/14/95/44/1196149544.db2.gz WWUKDHJEZBHQDM-VOTSOKGWSA-N 1 0 318.461 3.287 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657557602 1196154837 /nfs/dbraw/zinc/15/48/37/1196154837.db2.gz ILJRKCJIHBUBFY-QFBILLFUSA-N 1 0 317.429 3.223 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001657557601 1196154910 /nfs/dbraw/zinc/15/49/10/1196154910.db2.gz ILJRKCJIHBUBFY-LPHOPBHVSA-N 1 0 317.429 3.223 20 10 DGCDRO Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001657576039 1196157372 /nfs/dbraw/zinc/15/73/72/1196157372.db2.gz FWHABCBHPAXCHS-HNNXBMFYSA-N 1 0 320.433 3.142 20 10 DGCDRO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1cc(F)ccc1O)CCC2 ZINC001657666840 1196167778 /nfs/dbraw/zinc/16/77/78/1196167778.db2.gz HQOWXJGKLOABSG-OAHLLOKOSA-N 1 0 303.381 3.476 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1C ZINC001657886997 1196190946 /nfs/dbraw/zinc/19/09/46/1196190946.db2.gz DEYXWAREMPHQOO-UHFFFAOYSA-N 1 0 300.358 3.244 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC001658002570 1196200719 /nfs/dbraw/zinc/20/07/19/1196200719.db2.gz DQEXDOPTBAPGGC-XLIONFOSSA-N 1 0 312.457 3.373 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1C ZINC001658176129 1196221405 /nfs/dbraw/zinc/22/14/05/1196221405.db2.gz ZHWJHHUFOMYWBH-OKZBNKHCSA-N 1 0 302.462 3.214 20 10 DGCDRO CCC1([NH+](C)C)CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC001658675362 1196287650 /nfs/dbraw/zinc/28/76/50/1196287650.db2.gz CCQCMUJOHJLFJA-UHFFFAOYSA-N 1 0 303.494 3.367 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)[C@@H](CC)CN1C(C)=O ZINC001658833394 1196306748 /nfs/dbraw/zinc/30/67/48/1196306748.db2.gz QYOFHZULHCUOQY-HOTGVXAUSA-N 1 0 324.852 3.267 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)cc1F ZINC001659043677 1196336635 /nfs/dbraw/zinc/33/66/35/1196336635.db2.gz CKXFFJQZJIPGSC-BLLLJJGKSA-N 1 0 312.429 3.216 20 10 DGCDRO CCOc1ccc(CC[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC001659062851 1196339687 /nfs/dbraw/zinc/33/96/87/1196339687.db2.gz ALQDLHMDNCCRFC-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001659110548 1196347180 /nfs/dbraw/zinc/34/71/80/1196347180.db2.gz ADIVXKYDCCQBPD-GOSISDBHSA-N 1 0 302.462 3.500 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC001659190104 1196357818 /nfs/dbraw/zinc/35/78/18/1196357818.db2.gz HMPPJHTUHOTLIE-UHFFFAOYSA-N 1 0 314.719 3.332 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC001659250724 1196363404 /nfs/dbraw/zinc/36/34/04/1196363404.db2.gz VXUMDTXTKIZHPZ-KBXCAEBGSA-N 1 0 307.434 3.250 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)cc1 ZINC001659281333 1196367224 /nfs/dbraw/zinc/36/72/24/1196367224.db2.gz UWZKTCHHMAEKNN-NRFANRHFSA-N 1 0 323.484 3.111 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)ccc1N1CCCCC1 ZINC001659535560 1196392544 /nfs/dbraw/zinc/39/25/44/1196392544.db2.gz AMLRKDQUJCGBTR-APWZRJJASA-N 1 0 316.489 3.436 20 10 DGCDRO CCC[C@@H](CCO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC001659841592 1196420182 /nfs/dbraw/zinc/42/01/82/1196420182.db2.gz PMSFGGHJTBHLND-ZDUSSCGKSA-N 1 0 316.239 3.104 20 10 DGCDRO CCCN(CC[NH+]1CCCCCC1)Cc1cc(OC)ccc1O ZINC001659911919 1196428495 /nfs/dbraw/zinc/42/84/95/1196428495.db2.gz FBXDNVCZEQRGIK-UHFFFAOYSA-N 1 0 320.477 3.489 20 10 DGCDRO CCc1cccc(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC001659941732 1196431267 /nfs/dbraw/zinc/43/12/67/1196431267.db2.gz FBYZKUCMJQAICP-UHFFFAOYSA-N 1 0 320.433 3.006 20 10 DGCDRO COCC1(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC001660053681 1196440955 /nfs/dbraw/zinc/44/09/55/1196440955.db2.gz PCGBEJDVVHZFKL-MRXNPFEDSA-N 1 0 304.478 3.398 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c(O)c1 ZINC001660194194 1196456136 /nfs/dbraw/zinc/45/61/36/1196456136.db2.gz FDEGPYAPJNDOPZ-CQSZACIVSA-N 1 0 305.418 3.243 20 10 DGCDRO Cn1cncc1C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001660238075 1196460861 /nfs/dbraw/zinc/46/08/61/1196460861.db2.gz GMPLMEZQMHCEST-UHFFFAOYSA-N 1 0 305.809 3.159 20 10 DGCDRO C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2O)COc2ccccc2O1 ZINC001660355344 1196474339 /nfs/dbraw/zinc/47/43/39/1196474339.db2.gz DBPFHONVLAYEPN-QGZVFWFLSA-N 1 0 319.788 3.365 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCC(=O)N2CCCCC2)cc1C ZINC001662132283 1196684894 /nfs/dbraw/zinc/68/48/94/1196684894.db2.gz IXDYMPQCRGUYAG-UHFFFAOYSA-N 1 0 318.461 3.276 20 10 DGCDRO c1cc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc2c1OCC2 ZINC001662208804 1196694971 /nfs/dbraw/zinc/69/49/71/1196694971.db2.gz UAOYLKDKXZBJJB-UHFFFAOYSA-N 1 0 309.409 3.279 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)C(C)(C)C)cc1C ZINC001662263153 1196700657 /nfs/dbraw/zinc/70/06/57/1196700657.db2.gz PTYOCWNIKBOZGN-HUUCEWRRSA-N 1 0 320.477 3.280 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](COC)[C@@H]2CCCO2)cc1C ZINC001662332309 1196709198 /nfs/dbraw/zinc/70/91/98/1196709198.db2.gz HFTHLICQQXSBQH-AEFFLSMTSA-N 1 0 307.434 3.067 20 10 DGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)OC ZINC001662495342 1196725658 /nfs/dbraw/zinc/72/56/58/1196725658.db2.gz HGGUHYRGUYBEDK-BZNIZROVSA-N 1 0 300.393 3.182 20 10 DGCDRO CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001662737959 1196744894 /nfs/dbraw/zinc/74/48/94/1196744894.db2.gz ARHHVGHCVGOYBS-IAGOWNOFSA-N 1 0 318.461 3.321 20 10 DGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C12CCC2 ZINC001663821125 1196948596 /nfs/dbraw/zinc/94/85/96/1196948596.db2.gz CVSBZEUZMLHIKM-ROUUACIJSA-N 1 0 319.445 3.489 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H](C)c2ncc(C)s2)c(O)c1 ZINC001664210301 1196980334 /nfs/dbraw/zinc/98/03/34/1196980334.db2.gz XPZRUWRIQSDGQM-LLVKDONJSA-N 1 0 306.431 3.367 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)c(O)c1OC ZINC001664315223 1196989404 /nfs/dbraw/zinc/98/94/04/1196989404.db2.gz DVEUBSAYQAMSNW-UHFFFAOYSA-N 1 0 312.369 3.181 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC001664566599 1197014448 /nfs/dbraw/zinc/01/44/48/1197014448.db2.gz MTQQIQRJFLTXNY-GOSISDBHSA-N 1 0 303.494 3.271 20 10 DGCDRO Cc1ccc2c(c1)CN(Cc1cc(F)c(F)cc1O)CCO2 ZINC001664677191 1197033295 /nfs/dbraw/zinc/03/32/95/1197033295.db2.gz VUSKIZZXGNKPTP-UHFFFAOYSA-N 1 0 305.324 3.373 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC001664873491 1197073564 /nfs/dbraw/zinc/07/35/64/1197073564.db2.gz SFOVIAOKPIRQGC-CLNPQZTCSA-N 1 0 324.468 3.301 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c(O)c1 ZINC001665122717 1197100260 /nfs/dbraw/zinc/10/02/60/1197100260.db2.gz JBWWLQRWGIHJQP-CQSZACIVSA-N 1 0 305.418 3.291 20 10 DGCDRO CC(C)c1ccc(O)c(CN2Cc3ccccc3N(C)C(=O)C2)c1 ZINC001665264443 1197116170 /nfs/dbraw/zinc/11/61/70/1197116170.db2.gz HPTKOMRZQFZRRJ-UHFFFAOYSA-N 1 0 324.424 3.494 20 10 DGCDRO COCCOC[C@@H](C)[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC001665434350 1197137126 /nfs/dbraw/zinc/13/71/26/1197137126.db2.gz GTNMLLAHKBDDRO-OAHLLOKOSA-N 1 0 316.445 3.235 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1F ZINC001665471857 1197141477 /nfs/dbraw/zinc/14/14/77/1197141477.db2.gz YHLXZTHZHYUYCQ-YPMHNXCESA-N 1 0 312.429 3.216 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC001665635077 1197162603 /nfs/dbraw/zinc/16/26/03/1197162603.db2.gz WJAFSEAYKQNEQG-HNNXBMFYSA-N 1 0 317.351 3.262 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c1 ZINC001665785187 1197195834 /nfs/dbraw/zinc/19/58/34/1197195834.db2.gz WBVVBTCITMBGAX-XGBSXSJOSA-N 1 0 305.418 3.288 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c(O)c1 ZINC001665795434 1197199004 /nfs/dbraw/zinc/19/90/04/1197199004.db2.gz FUKHILOCXLZKNO-AWEZNQCLSA-N 1 0 305.418 3.291 20 10 DGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]Cc1cnccn1 ZINC001665900631 1197213789 /nfs/dbraw/zinc/21/37/89/1197213789.db2.gz HLWZWQQMAHYDRW-UHFFFAOYSA-N 1 0 321.380 3.051 20 10 DGCDRO CC/C=C(\C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001667994571 1197394928 /nfs/dbraw/zinc/39/49/28/1197394928.db2.gz UOOFZFHEBPXNAK-KAMPRCONSA-N 1 0 318.461 3.344 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)C2CC2)cc1C ZINC001668015042 1197395395 /nfs/dbraw/zinc/39/53/95/1197395395.db2.gz DWQCRWWZSZCTPG-HUUCEWRRSA-N 1 0 318.461 3.034 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCc1nnc2ccccn21 ZINC000323914134 1197691526 /nfs/dbraw/zinc/69/15/26/1197691526.db2.gz GSRFIUGLPJUKOG-KBPBESRZSA-N 1 0 322.412 3.124 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC2CC2)cc1C ZINC001674647265 1197819391 /nfs/dbraw/zinc/81/93/91/1197819391.db2.gz NUFZRQOITSVFKK-GJZGRUSLSA-N 1 0 318.461 3.177 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCOC[C@@H]1CCCO1 ZINC000319812240 1199841514 /nfs/dbraw/zinc/84/15/14/1199841514.db2.gz KTSCSRVAAOAEKE-PMPSAXMXSA-N 1 0 319.445 3.424 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](CO)Cc1ccccc1 ZINC000320934968 1199849655 /nfs/dbraw/zinc/84/96/55/1199849655.db2.gz RZZMOPOJTCGOSW-PVAVHDDUSA-N 1 0 311.425 3.442 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](CO)Cc1ccccc1 ZINC000320934960 1199849766 /nfs/dbraw/zinc/84/97/66/1199849766.db2.gz RZZMOPOJTCGOSW-OIISXLGYSA-N 1 0 311.425 3.442 20 10 DGCDRO CC[C@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001689388202 1200117096 /nfs/dbraw/zinc/11/70/96/1200117096.db2.gz PTHBXSZXTHUDHU-IGEOTXOUSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC2(C)CC2)cc1C ZINC001698835878 1201486957 /nfs/dbraw/zinc/48/69/57/1201486957.db2.gz CAQHHFLXHUBXPX-OAHLLOKOSA-N 1 0 318.461 3.130 20 10 DGCDRO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753485725 1202272254 /nfs/dbraw/zinc/27/22/54/1202272254.db2.gz ALYACVRJEMAPEW-IXDOHACOSA-N 1 0 318.461 3.034 20 10 DGCDRO CCCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700741621 1202346561 /nfs/dbraw/zinc/34/65/61/1202346561.db2.gz FBMKUCXIHAJULN-OAHLLOKOSA-N 1 0 306.450 3.130 20 10 DGCDRO CC[C@@H](CNC(=O)C1CCCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714052441 1202752866 /nfs/dbraw/zinc/75/28/66/1202752866.db2.gz FQSTVWVHYZQKOM-KRWDZBQOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]C[C@](C)(NC(=O)C(C)C)C2CC2)cc1C ZINC001714160595 1202810169 /nfs/dbraw/zinc/81/01/69/1202810169.db2.gz UKUDVVZKGFFTCV-IBGZPJMESA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)C(C)C)cc1C ZINC001715260790 1203305084 /nfs/dbraw/zinc/30/50/84/1203305084.db2.gz YIBPNDGEZRPBCR-HOCLYGCPSA-N 1 0 320.477 3.138 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC2(C)CC2)cc1C ZINC001725101604 1204094866 /nfs/dbraw/zinc/09/48/66/1204094866.db2.gz HQPGNWDAJZPOGM-GJZGRUSLSA-N 1 0 318.461 3.177 20 10 DGCDRO CCC(C)(CC)C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001731984102 1204639988 /nfs/dbraw/zinc/63/99/88/1204639988.db2.gz KXFQQLCYTCIOMM-UHFFFAOYSA-N 1 0 320.477 3.378 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C2CC2)cc1C ZINC001732458622 1204852391 /nfs/dbraw/zinc/85/23/91/1204852391.db2.gz JXMQSLISRXWBFU-QGZVFWFLSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(C)CCCC2)cc1C ZINC001732965908 1204967383 /nfs/dbraw/zinc/96/73/83/1204967383.db2.gz RFTYZWDXPLMHIW-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593263710 994561266 /nfs/dbraw/zinc/56/12/66/994561266.db2.gz BTLOXJKBFPNNKM-CQSZACIVSA-N 1 0 320.433 3.007 20 10 DGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711477850 1085463503 /nfs/dbraw/zinc/46/35/03/1085463503.db2.gz RNXLNNBGPJMGSK-SNVBAGLBSA-N 1 0 302.187 3.336 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001169462934 1081573155 /nfs/dbraw/zinc/57/31/55/1081573155.db2.gz SDDPUFJCDPKSKK-QILLFSRXSA-N 1 0 318.461 3.383 20 10 DGCDRO COCCCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691429530 1081650131 /nfs/dbraw/zinc/65/01/31/1081650131.db2.gz PUDMLIBLSWUNCB-UHFFFAOYSA-N 1 0 302.212 3.061 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H](OC)C2CCCCC2)c(O)c1 ZINC001206810496 1081693821 /nfs/dbraw/zinc/69/38/21/1081693821.db2.gz SLZBEGOZTMYDDY-GOSISDBHSA-N 1 0 307.434 3.394 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccccn1 ZINC000691440196 1081714625 /nfs/dbraw/zinc/71/46/25/1081714625.db2.gz NRBAOXYKJRRWPW-NSHDSACASA-N 1 0 321.218 3.443 20 10 DGCDRO C[C@H]1C[C@@H]1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001209428131 1081745788 /nfs/dbraw/zinc/74/57/88/1081745788.db2.gz RHBVQYRIUVZJPM-QWHCGFSZSA-N 1 0 314.351 3.363 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCC[C@]1(O)C(F)(F)F ZINC001140057866 1081777502 /nfs/dbraw/zinc/77/75/02/1081777502.db2.gz QMYMYQPAPHICBX-QMTHXVAHSA-N 1 0 321.314 3.057 20 10 DGCDRO COCCC1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691476228 1081867511 /nfs/dbraw/zinc/86/75/11/1081867511.db2.gz JECQBIZIXUARII-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691489910 1081923817 /nfs/dbraw/zinc/92/38/17/1081923817.db2.gz TVJNHXOFHMCEJB-LBPRGKRZSA-N 1 0 316.239 3.041 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)CCC2(C)CC2)cc1C ZINC001170028786 1081934044 /nfs/dbraw/zinc/93/40/44/1081934044.db2.gz MYJOUNZGBUMULC-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C[NH+]1CCCC1 ZINC001648832650 1081937766 /nfs/dbraw/zinc/93/77/66/1081937766.db2.gz GJDZCAULWREZIF-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2nc(Br)cs2)c1 ZINC001652847047 1081958537 /nfs/dbraw/zinc/95/85/37/1081958537.db2.gz PAXPHKOYLXGYLN-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO CCC[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266583250 1082033547 /nfs/dbraw/zinc/03/35/47/1082033547.db2.gz RLVSEAFXTFREHI-JQFCIGGWSA-N 1 0 318.461 3.177 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cncc(C4CC4)c3)cc2)CC1 ZINC001167437626 1082123207 /nfs/dbraw/zinc/12/32/07/1082123207.db2.gz WBLXBHWXHOAFBX-UHFFFAOYSA-N 1 0 322.456 3.323 20 10 DGCDRO Cc1noc(C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)n1 ZINC001140465390 1082274617 /nfs/dbraw/zinc/27/46/17/1082274617.db2.gz LINDCQWWTSJIDR-UHFFFAOYSA-N 1 0 307.781 3.117 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)/C=C\C(C)(C)C)cc1C ZINC001266927655 1082347381 /nfs/dbraw/zinc/34/73/81/1082347381.db2.gz LBORRIGHDDNLEH-KVPUOBJLSA-N 1 0 318.461 3.200 20 10 DGCDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C1(C)C ZINC001170386296 1082357937 /nfs/dbraw/zinc/35/79/37/1082357937.db2.gz NDGBCNBLAOQZRF-RHSMWYFYSA-N 1 0 309.381 3.027 20 10 DGCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001648914655 1082420420 /nfs/dbraw/zinc/42/04/20/1082420420.db2.gz WZVXPLKZHCFKQL-IJKBJJPYSA-N 1 0 315.505 3.476 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3[NH2+]C[C@H]4C[C@H]43)n2)cc1 ZINC001211565534 1082651633 /nfs/dbraw/zinc/65/16/33/1082651633.db2.gz GLEUTVQTNMQEFG-OIISXLGYSA-N 1 0 320.396 3.425 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CC[C@@H](C)C2)cc1C ZINC001132538875 1082937271 /nfs/dbraw/zinc/93/72/71/1082937271.db2.gz RPASYBFCRKKZAM-ZBFHGGJFSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)CC2CC(C)(C)C2)cc1C ZINC001132775004 1082995476 /nfs/dbraw/zinc/99/54/76/1082995476.db2.gz OFGCTYRZPWAETM-UHFFFAOYSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)F)cc1C ZINC001133477755 1083135572 /nfs/dbraw/zinc/13/55/72/1083135572.db2.gz RHJGTOBPXINYIE-KGLIPLIRSA-N 1 0 324.440 3.125 20 10 DGCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(Cl)c1 ZINC001140927226 1083189208 /nfs/dbraw/zinc/18/92/08/1083189208.db2.gz JXFQWTBSEHVNAW-DOMZBBRYSA-N 1 0 306.837 3.207 20 10 DGCDRO C/C=C(/C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001134051650 1083233022 /nfs/dbraw/zinc/23/30/22/1083233022.db2.gz NFQZXFVMARTHGU-XGFUNVHXSA-N 1 0 318.461 3.343 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCCOC(C)(C)C)c1O ZINC000695286744 1083255201 /nfs/dbraw/zinc/25/52/01/1083255201.db2.gz YANMQFIHRKQJBM-UHFFFAOYSA-N 1 0 301.814 3.349 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1O ZINC001181125072 1083413860 /nfs/dbraw/zinc/41/38/60/1083413860.db2.gz IPUZGUFVRFDTST-CVEARBPZSA-N 1 0 307.434 3.393 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001204326278 1083648475 /nfs/dbraw/zinc/64/84/75/1083648475.db2.gz WRSCQRRYCWRBDL-LJQANCHMSA-N 1 0 300.446 3.432 20 10 DGCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001182634988 1083762379 /nfs/dbraw/zinc/76/23/79/1083762379.db2.gz VBDVAFHDAICLFS-CQSZACIVSA-N 1 0 321.323 3.292 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c(O)c1 ZINC001183822783 1084046273 /nfs/dbraw/zinc/04/62/73/1084046273.db2.gz MGAKGUWLWKMQPJ-CQSZACIVSA-N 1 0 305.418 3.148 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@H]1O ZINC001183991398 1084083986 /nfs/dbraw/zinc/08/39/86/1084083986.db2.gz HJAUSXJRJOGGFB-HRAATJIYSA-N 1 0 322.452 3.062 20 10 DGCDRO CC1([NH+]2CCC2)CCC([NH2+]Cc2cc(F)c(F)cc2[O-])CC1 ZINC001184134591 1084104171 /nfs/dbraw/zinc/10/41/71/1084104171.db2.gz FTNULUFOOGUQHY-UHFFFAOYSA-N 1 0 310.388 3.167 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@]1(O)C(F)(F)F ZINC001203651816 1084740152 /nfs/dbraw/zinc/74/01/52/1084740152.db2.gz XMIHREVPGDCVCO-TVQRCGJNSA-N 1 0 323.742 3.181 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001203651373 1084743585 /nfs/dbraw/zinc/74/35/85/1084743585.db2.gz MZADGBQWHUAPFL-CYBMUJFWSA-N 1 0 323.742 3.325 20 10 DGCDRO CCCC1(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001268703466 1084958589 /nfs/dbraw/zinc/95/85/89/1084958589.db2.gz NHXJBUUXWCKGFQ-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC001620902574 1126243277 /nfs/dbraw/zinc/24/32/77/1126243277.db2.gz MIXJWRWZPPTVDM-HNNXBMFYSA-N 1 0 319.832 3.356 20 10 DGCDRO C[NH2+]C[C@H]1CCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001205016722 1086621366 /nfs/dbraw/zinc/62/13/66/1086621366.db2.gz JUBRWLIGMMBXNP-SNVBAGLBSA-N 1 0 303.233 3.130 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)C(C)(C)C)C(C)C)cc1C ZINC001482566770 1086928424 /nfs/dbraw/zinc/92/84/24/1086928424.db2.gz UNKRQSUAGJWVNO-INIZCTEOSA-N 1 0 320.477 3.280 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CC[NH+](CC2CCCCC2)CC1 ZINC001142509084 1087274843 /nfs/dbraw/zinc/27/48/43/1087274843.db2.gz WLNDRGZXSWPTOH-UHFFFAOYSA-N 1 0 324.415 3.368 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccccc1O ZINC000697891562 1087373023 /nfs/dbraw/zinc/37/30/23/1087373023.db2.gz ZAIHLIVYAPNTIU-STQMWFEESA-N 1 0 308.422 3.204 20 10 DGCDRO CC[C@H](C)N1CCC2(CC[NH+](Cc3ccccc3O)CC2)C1=O ZINC001272619035 1088326597 /nfs/dbraw/zinc/32/65/97/1088326597.db2.gz QQZPYXFTFCSIFD-HNNXBMFYSA-N 1 0 316.445 3.005 20 10 DGCDRO COc1ccccc1C1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001649025015 1088424983 /nfs/dbraw/zinc/42/49/83/1088424983.db2.gz FWWBFXDUTRNBAL-UHFFFAOYSA-N 1 0 309.409 3.452 20 10 DGCDRO Cc1nc(N(C)C)cc(NCc2cc3ccccc3cc2O)[nH+]1 ZINC001160207267 1088697810 /nfs/dbraw/zinc/69/78/10/1088697810.db2.gz VMLVYBUDERCAKY-UHFFFAOYSA-N 1 0 308.385 3.322 20 10 DGCDRO Nc1cccnc1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155628735 1089193047 /nfs/dbraw/zinc/19/30/47/1089193047.db2.gz DYNXYLPLWYNAJG-QFHJOOASSA-N 1 0 324.472 3.063 20 10 DGCDRO CCCC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001484503853 1089445497 /nfs/dbraw/zinc/44/54/97/1089445497.db2.gz PGEODYPHYQULGU-INIZCTEOSA-N 1 0 318.461 3.132 20 10 DGCDRO CN(C)c1ccc(CN(C)c2ccc(C[NH+]3CCCC3)cn2)cc1 ZINC001156921353 1089745027 /nfs/dbraw/zinc/74/50/27/1089745027.db2.gz YJCLGFFCIBFXEA-UHFFFAOYSA-N 1 0 324.472 3.380 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@@H]1O ZINC001236793090 1089869329 /nfs/dbraw/zinc/86/93/29/1089869329.db2.gz HMGIMXSZKOYFHU-RNCFNFMXSA-N 1 0 304.217 3.292 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@]1(C)O ZINC001237121377 1090285849 /nfs/dbraw/zinc/28/58/49/1090285849.db2.gz LPLWUWCADXRFFB-ZUZCIYMTSA-N 1 0 301.789 3.168 20 10 DGCDRO COc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccccc3O)CCO2)cc1 ZINC001168583806 1090584323 /nfs/dbraw/zinc/58/43/23/1090584323.db2.gz KJIWOWLKIBBPOF-QFBILLFUSA-N 1 0 313.397 3.411 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CCN(c2cc(N)c(C)c[nH+]2)C1 ZINC001166817434 1090661316 /nfs/dbraw/zinc/66/13/16/1090661316.db2.gz DENXINHMXBMDJF-UHFFFAOYSA-N 1 0 322.412 3.035 20 10 DGCDRO CCC1(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001485919809 1090727521 /nfs/dbraw/zinc/72/75/21/1090727521.db2.gz MKCFWASLEXNMAD-HNNXBMFYSA-N 1 0 318.461 3.130 20 10 DGCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]21 ZINC001203584745 1090761472 /nfs/dbraw/zinc/76/14/72/1090761472.db2.gz FCZIBAAXQAJMAT-HZMBPMFUSA-N 1 0 315.244 3.225 20 10 DGCDRO CC[N@H+](Cc1cccc(OC)c1)Cc1cccc(OC)c1O ZINC001203596836 1090764016 /nfs/dbraw/zinc/76/40/16/1090764016.db2.gz OFWWSKCSVBUEFQ-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c1O ZINC001203601706 1090765394 /nfs/dbraw/zinc/76/53/94/1090765394.db2.gz HRFPBKQKMQGXQE-CYBMUJFWSA-N 1 0 303.402 3.125 20 10 DGCDRO CCOc1cccc(C[NH+]2CCC(n3nccc3C)CC2)c1O ZINC001203614627 1090767454 /nfs/dbraw/zinc/76/74/54/1090767454.db2.gz BZKWGTKPZLMWPS-UHFFFAOYSA-N 1 0 315.417 3.133 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(O)c1 ZINC001203630355 1090769202 /nfs/dbraw/zinc/76/92/02/1090769202.db2.gz QQCVACSWSKCTIP-KRWDZBQOSA-N 1 0 317.360 3.193 20 10 DGCDRO COc1ccc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c(O)c1 ZINC001203634691 1090770376 /nfs/dbraw/zinc/77/03/76/1090770376.db2.gz RAISAAHYOTYFMQ-UHFFFAOYSA-N 1 0 305.418 3.324 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccccc3C)C2)c1 ZINC001203675498 1090777676 /nfs/dbraw/zinc/77/76/76/1090777676.db2.gz YYKPNVNFUQOLHN-KRWDZBQOSA-N 1 0 313.397 3.363 20 10 DGCDRO COc1cccc(CCC[N@H+](C)Cc2cc(OC)ccc2O)c1 ZINC001203680049 1090778822 /nfs/dbraw/zinc/77/88/22/1090778822.db2.gz AUGRGJGFDACMHH-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO COc1ccc(CC[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC001203677942 1090778859 /nfs/dbraw/zinc/77/88/59/1090778859.db2.gz BJPHJIKIZBKJNS-UHFFFAOYSA-N 1 0 301.386 3.084 20 10 DGCDRO COc1ccc(O)c(CN2CC[N@@H+](C3CCCCC3)[C@@H](C)C2)c1 ZINC001203684249 1090779708 /nfs/dbraw/zinc/77/97/08/1090779708.db2.gz PWPYALASSOMLAY-HNNXBMFYSA-N 1 0 318.461 3.240 20 10 DGCDRO Cc1cccc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1 ZINC001203929456 1090841565 /nfs/dbraw/zinc/84/15/65/1090841565.db2.gz DDKCAHICBUQXFF-UHFFFAOYSA-N 1 0 309.457 3.383 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)cc1 ZINC001203937182 1090844536 /nfs/dbraw/zinc/84/45/36/1090844536.db2.gz QVQBPMICRQCUSC-RBUKOAKNSA-N 1 0 319.468 3.151 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)cc1 ZINC001203937177 1090844593 /nfs/dbraw/zinc/84/45/93/1090844593.db2.gz QVQBPMICRQCUSC-OALUTQOASA-N 1 0 319.468 3.151 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)cc1 ZINC001203946853 1090848391 /nfs/dbraw/zinc/84/83/91/1090848391.db2.gz YHACHVVVABBPJI-MJGOQNOKSA-N 1 0 301.478 3.059 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c2ccccc21 ZINC001204232392 1090929715 /nfs/dbraw/zinc/92/97/15/1090929715.db2.gz BWFPJANTDKQNBG-GDBMZVCRSA-N 1 0 316.420 3.058 20 10 DGCDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232680 1090930597 /nfs/dbraw/zinc/93/05/97/1090930597.db2.gz IFSAVDCWZBLSSF-HZPDHXFCSA-N 1 0 312.457 3.499 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@@]1(C)O ZINC001204233588 1090930852 /nfs/dbraw/zinc/93/08/52/1090930852.db2.gz RWJAFLJZHGTVHL-MGPUTAFESA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]3CN(C)C[C@H]32)c2ccccc21 ZINC001204241319 1090933018 /nfs/dbraw/zinc/93/30/18/1090933018.db2.gz DZTOBXOZPTWXLQ-LAUBAEHRSA-N 1 0 323.484 3.432 20 10 DGCDRO Cc1nc(CC[N@@H+](C)Cc2cccc(C(C)(C)C)c2O)no1 ZINC001143103501 1090934448 /nfs/dbraw/zinc/93/44/48/1090934448.db2.gz DTAIWIBPECZBSU-UHFFFAOYSA-N 1 0 303.406 3.056 20 10 DGCDRO CC[N@H+](CCCC(=O)OC)Cc1cccc(C(C)(C)C)c1O ZINC001143104220 1090935559 /nfs/dbraw/zinc/93/55/59/1090935559.db2.gz QSMKBNGBLBAVAG-UHFFFAOYSA-N 1 0 307.434 3.465 20 10 DGCDRO Cc1ccc([C@@]2(C)C[N@H+](Cc3ccc(O)cc3O)CCO2)cc1 ZINC001204277793 1090938929 /nfs/dbraw/zinc/93/89/29/1090938929.db2.gz ACXSAWPSKIFPHP-LJQANCHMSA-N 1 0 313.397 3.154 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329115 1090950727 /nfs/dbraw/zinc/95/07/27/1090950727.db2.gz XOCNHQGOKPXSMT-KRWDZBQOSA-N 1 0 316.445 3.062 20 10 DGCDRO COc1cc(C[NH+]2CCC(c3ccccc3)CC2)cc(O)c1O ZINC001204346921 1090952460 /nfs/dbraw/zinc/95/24/60/1090952460.db2.gz JGOQNWFOZXHCQN-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1cc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)cc(O)c1O ZINC001204348964 1090952949 /nfs/dbraw/zinc/95/29/49/1090952949.db2.gz LZMDGCVIVAJZEH-UHFFFAOYSA-N 1 0 321.417 3.030 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1)OC ZINC001204388415 1090959813 /nfs/dbraw/zinc/95/98/13/1090959813.db2.gz CAPFJGWFKOKWDK-KBXCAEBGSA-N 1 0 324.440 3.017 20 10 DGCDRO CCC(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001272986282 1090965441 /nfs/dbraw/zinc/96/54/41/1090965441.db2.gz QGPFIDKHYCEOPZ-OAHLLOKOSA-N 1 0 320.477 3.424 20 10 DGCDRO C[C@@]1(O)CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215404 1091118091 /nfs/dbraw/zinc/11/80/91/1091118091.db2.gz DIZOWHDCQSXELZ-LJQANCHMSA-N 1 0 302.462 3.414 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CCC1=O ZINC001138215795 1091118113 /nfs/dbraw/zinc/11/81/13/1091118113.db2.gz VSAHTNHOLSNWHH-INIZCTEOSA-N 1 0 300.446 3.478 20 10 DGCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138257933 1091125972 /nfs/dbraw/zinc/12/59/72/1091125972.db2.gz DWFDBADQZYREDB-DZGCQCFKSA-N 1 0 314.429 3.118 20 10 DGCDRO Cc1c(C[NH+]2CCN(c3ccccn3)CC2)c2ccccc2n1C ZINC001138252273 1091126394 /nfs/dbraw/zinc/12/63/94/1091126394.db2.gz AFAZFCVYPPPQDF-UHFFFAOYSA-N 1 0 320.440 3.204 20 10 DGCDRO Cc1c(CN2CCN3CC(F)(F)C[C@H]3C2)c2ccccc2n1C ZINC001138258602 1091127594 /nfs/dbraw/zinc/12/75/94/1091127594.db2.gz WAXRBAJJKZENTP-AWEZNQCLSA-N 1 0 319.399 3.012 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c(O)c1 ZINC001205238831 1091144105 /nfs/dbraw/zinc/14/41/05/1091144105.db2.gz XNSHZXHWSSXUGD-QZTJIDSGSA-N 1 0 305.418 3.004 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C2(CC2)C1 ZINC001138342216 1091146710 /nfs/dbraw/zinc/14/67/10/1091146710.db2.gz NXWYVZQOWBFZHQ-AWEZNQCLSA-N 1 0 312.457 3.465 20 10 DGCDRO Oc1c(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001138339031 1091147040 /nfs/dbraw/zinc/14/70/40/1091147040.db2.gz ZYYYSEHCZLYGPO-HZPDHXFCSA-N 1 0 312.457 3.323 20 10 DGCDRO Oc1c(C[N@@H+]2CCCC[C@@H](F)C2)cc2c3c1CCCN3CCC2 ZINC001138338352 1091147107 /nfs/dbraw/zinc/14/71/07/1091147107.db2.gz PFNGEXJNTYFWCK-MRXNPFEDSA-N 1 0 318.436 3.415 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1F ZINC001138338227 1091147250 /nfs/dbraw/zinc/14/72/50/1091147250.db2.gz NWBDFGOPHSEVSY-CXAGYDPISA-N 1 0 318.436 3.271 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](c4ccccn4)C3)ccc21 ZINC001138356075 1091150639 /nfs/dbraw/zinc/15/06/39/1091150639.db2.gz AJHUNOYVPZJOHM-GOSISDBHSA-N 1 0 307.441 3.454 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@]4(C3)CCCCO4)ccc21 ZINC001138354832 1091150706 /nfs/dbraw/zinc/15/07/06/1091150706.db2.gz WITRIGLLZOJKFP-IBGZPJMESA-N 1 0 300.446 3.214 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)ccc21 ZINC001138357082 1091152389 /nfs/dbraw/zinc/15/23/89/1091152389.db2.gz BZHUDEBSSSQTQC-LJQANCHMSA-N 1 0 323.440 3.117 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c(OC)c1 ZINC001138386724 1091161550 /nfs/dbraw/zinc/16/15/50/1091161550.db2.gz UOAOWYTYSKTVFB-MRXNPFEDSA-N 1 0 320.477 3.136 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c(OC)c1 ZINC001138386873 1091163585 /nfs/dbraw/zinc/16/35/85/1091163585.db2.gz YPWRARRKIDNKPF-HNAYVOBHSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC([NH+](C)C)CC2)c(OC)c1 ZINC001138388091 1091163855 /nfs/dbraw/zinc/16/38/55/1091163855.db2.gz QBIZQNVMLLSOEP-UHFFFAOYSA-N 1 0 319.493 3.067 20 10 DGCDRO C[C@]1([NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001205289392 1091167074 /nfs/dbraw/zinc/16/70/74/1091167074.db2.gz XOMKIRDRVNXIHN-AWEZNQCLSA-N 1 0 302.340 3.114 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C2(CC(C)C)CC2)cc1C ZINC001129057278 1091185334 /nfs/dbraw/zinc/18/53/34/1091185334.db2.gz IMJWXAJHHDQKMF-UHFFFAOYSA-N 1 0 318.461 3.036 20 10 DGCDRO C[C@]1(F)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495339 1091206348 /nfs/dbraw/zinc/20/63/48/1091206348.db2.gz HSSLBLXKGJPIFN-SFHVURJKSA-N 1 0 306.425 3.237 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC001138496085 1091206470 /nfs/dbraw/zinc/20/64/70/1091206470.db2.gz PETSCYXNHJRNIN-OAHLLOKOSA-N 1 0 324.415 3.390 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC001138497038 1091206526 /nfs/dbraw/zinc/20/65/26/1091206526.db2.gz YNWFQFFHODXNRE-SJORKVTESA-N 1 0 302.462 3.391 20 10 DGCDRO COC(=O)C1(C)CCC([NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001168761333 1091224875 /nfs/dbraw/zinc/22/48/75/1091224875.db2.gz AKAHHFLESRRKNY-UHFFFAOYSA-N 1 0 305.418 3.221 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCN2C2CC2)cc1Cl ZINC001205668302 1091304777 /nfs/dbraw/zinc/30/47/77/1091304777.db2.gz XXQXDZJKRSAONC-OAHLLOKOSA-N 1 0 308.853 3.461 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(O)c1 ZINC001205699810 1091315728 /nfs/dbraw/zinc/31/57/28/1091315728.db2.gz KZXZIJXJODJVQH-HOTGVXAUSA-N 1 0 319.445 3.348 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(O)c1 ZINC001205699809 1091316671 /nfs/dbraw/zinc/31/66/71/1091316671.db2.gz KZXZIJXJODJVQH-CVEARBPZSA-N 1 0 319.445 3.348 20 10 DGCDRO CC[N@H+](Cc1ccnn1[C@H]1CCCCO1)Cc1ccccc1O ZINC001138783246 1091327603 /nfs/dbraw/zinc/32/76/03/1091327603.db2.gz TWNJFGBKYJOKHD-GOSISDBHSA-N 1 0 315.417 3.310 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2ccnn21 ZINC001138807735 1091338713 /nfs/dbraw/zinc/33/87/13/1091338713.db2.gz UWAGRKXFENZRPO-UHFFFAOYSA-N 1 0 308.429 3.422 20 10 DGCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001205853336 1091379112 /nfs/dbraw/zinc/37/91/12/1091379112.db2.gz IAJDBOPJTLHIHW-HIFRSBDPSA-N 1 0 316.445 3.136 20 10 DGCDRO CC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139132658 1091458765 /nfs/dbraw/zinc/45/87/65/1091458765.db2.gz YXHMNCXMQIHYHY-CYBMUJFWSA-N 1 0 301.386 3.429 20 10 DGCDRO COc1cc(O)ccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001139144442 1091464064 /nfs/dbraw/zinc/46/40/64/1091464064.db2.gz GRCHBCXVJXBJPU-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO C[N@H+](Cc1ccc(-c2cnccn2)cc1)Cc1ccccc1O ZINC001139393418 1091544566 /nfs/dbraw/zinc/54/45/66/1091544566.db2.gz QLZUYKKUTRUZQC-UHFFFAOYSA-N 1 0 305.381 3.481 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)[C@H]1COC(C)(C)O1 ZINC001206327426 1091581469 /nfs/dbraw/zinc/58/14/69/1091581469.db2.gz AURJTXMAHMKPKA-HDMKZQKVSA-N 1 0 320.477 3.122 20 10 DGCDRO Oc1cc2c(cc1O)CN(Cc1cc(Cl)ccn1)CCC2 ZINC001139565011 1091604541 /nfs/dbraw/zinc/60/45/41/1091604541.db2.gz KRMPKKWHMCBRLO-UHFFFAOYSA-N 1 0 304.777 3.095 20 10 DGCDRO Cc1cccnc1N1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139669712 1091637976 /nfs/dbraw/zinc/63/79/76/1091637976.db2.gz IXHFMYLYGRXMGA-UHFFFAOYSA-N 1 0 324.472 3.087 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)ccc1N(C)C ZINC001139674169 1091639078 /nfs/dbraw/zinc/63/90/78/1091639078.db2.gz SMRXSFOUAYSQKK-GOSISDBHSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)ccc1N(C)C ZINC001139673530 1091640077 /nfs/dbraw/zinc/64/00/77/1091640077.db2.gz JHUDYTIBWPNCHX-MRXNPFEDSA-N 1 0 306.425 3.154 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1 ZINC001206661211 1091698133 /nfs/dbraw/zinc/69/81/33/1091698133.db2.gz QPOWFISHDDIVFA-WHSLLNHNSA-N 1 0 309.475 3.295 20 10 DGCDRO Cc1ccccc1O[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055544 1091752271 /nfs/dbraw/zinc/75/22/71/1091752271.db2.gz KENDHXFJIOKOSP-INIZCTEOSA-N 1 0 301.361 3.493 20 10 DGCDRO COc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055644 1091752343 /nfs/dbraw/zinc/75/23/43/1091752343.db2.gz NWPOXUKQTKHBJI-OAHLLOKOSA-N 1 0 317.360 3.193 20 10 DGCDRO C[C@H]1C[C@@H](CF)[N@H+](Cc2c(O)cccc2Br)C1 ZINC001140098673 1091766375 /nfs/dbraw/zinc/76/63/75/1091766375.db2.gz KPWGYBJNEIMTFD-UWVGGRQHSA-N 1 0 302.187 3.335 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1O ZINC001140178508 1091791280 /nfs/dbraw/zinc/79/12/80/1091791280.db2.gz NCTXTEJJCMMTHZ-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1O ZINC001140181362 1091793992 /nfs/dbraw/zinc/79/39/92/1091793992.db2.gz TUMXRXVKSMXEDW-HXUWFJFHSA-N 1 0 322.408 3.105 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC001140181613 1091794006 /nfs/dbraw/zinc/79/40/06/1091794006.db2.gz XWEGJTSEWCAWCE-UHFFFAOYSA-N 1 0 320.433 3.062 20 10 DGCDRO Cc1ccc(C)c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)c1O ZINC001140185983 1091794855 /nfs/dbraw/zinc/79/48/55/1091794855.db2.gz WEGGGOIDFKXBQG-DLBZAZTESA-N 1 0 306.425 3.017 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c1O ZINC001140184474 1091794940 /nfs/dbraw/zinc/79/49/40/1091794940.db2.gz VUYMNFWSGMWEON-UHFFFAOYSA-N 1 0 318.461 3.089 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184256 1091795406 /nfs/dbraw/zinc/79/54/06/1091795406.db2.gz PDDSVSOUPJOGJK-GOSISDBHSA-N 1 0 305.418 3.174 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCN(c3cccc(O)c3)CC2)c1O ZINC001140184102 1091795646 /nfs/dbraw/zinc/79/56/46/1091795646.db2.gz NBNUFHNLMQMAIU-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@H]4C3)cc2)CC1 ZINC001140282501 1091814771 /nfs/dbraw/zinc/81/47/71/1091814771.db2.gz BICJIPPNTDDQFJ-ROUUACIJSA-N 1 0 314.473 3.270 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)cc2)CC1 ZINC001140282629 1091815151 /nfs/dbraw/zinc/81/51/51/1091815151.db2.gz GFAFNKCOJJNTQF-ROUUACIJSA-N 1 0 314.473 3.270 20 10 DGCDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140342054 1091835676 /nfs/dbraw/zinc/83/56/76/1091835676.db2.gz RCEYTNGYGISFDN-UHFFFAOYSA-N 1 0 324.852 3.267 20 10 DGCDRO CC(C)C(=O)N(C)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140342626 1091835965 /nfs/dbraw/zinc/83/59/65/1091835965.db2.gz RICKFQXXBNBDMZ-UHFFFAOYSA-N 1 0 324.852 3.124 20 10 DGCDRO Oc1c(Cl)cccc1CNc1cc[nH+]cc1C(F)(F)F ZINC001307229652 1091847819 /nfs/dbraw/zinc/84/78/19/1091847819.db2.gz LHJKAOSIYFYXBM-UHFFFAOYSA-N 1 0 302.683 3.493 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001140461914 1091875774 /nfs/dbraw/zinc/87/57/74/1091875774.db2.gz XTKXFNXIKOHTAK-UHFFFAOYSA-N 1 0 317.820 3.153 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001140466338 1091879380 /nfs/dbraw/zinc/87/93/80/1091879380.db2.gz BPFIXFKODTVKSK-DLBZAZTESA-N 1 0 317.816 3.224 20 10 DGCDRO CC[C@@H]1[N@H+](Cc2cc(C)ccc2O)CCC[C@]12CCC(=O)N2C ZINC001140620442 1091934299 /nfs/dbraw/zinc/93/42/99/1091934299.db2.gz OOWGRAHNLOSFGG-HKUYNNGSSA-N 1 0 316.445 3.066 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3nn(-c4ccccc4)cc3C2)c1 ZINC001140622990 1091934458 /nfs/dbraw/zinc/93/44/58/1091934458.db2.gz KGWUDZVWNUNMSC-UHFFFAOYSA-N 1 0 319.408 3.445 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CC3(CCN3Cc3ccccc3)C2)c1 ZINC001140620872 1091934732 /nfs/dbraw/zinc/93/47/32/1091934732.db2.gz CPOIUCINQKQEAI-UHFFFAOYSA-N 1 0 308.425 3.161 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C[C@@H]1C ZINC001140624132 1091936490 /nfs/dbraw/zinc/93/64/90/1091936490.db2.gz HLVXHPNVTXJOFR-GJZGRUSLSA-N 1 0 305.418 3.112 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC001140624077 1091936722 /nfs/dbraw/zinc/93/67/22/1091936722.db2.gz FKZAXAPMWXIQFO-HDICACEKSA-N 1 0 308.425 3.269 20 10 DGCDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661701 1091949495 /nfs/dbraw/zinc/94/94/95/1091949495.db2.gz OJDHSRLLQHBFNI-LSDHHAIUSA-N 1 0 306.425 3.283 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)cc1 ZINC001140742563 1091982483 /nfs/dbraw/zinc/98/24/83/1091982483.db2.gz RZVOOQCGPCWROP-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(O)c(C)c1O ZINC001140750106 1091985337 /nfs/dbraw/zinc/98/53/37/1091985337.db2.gz VKMAGIBRKDTOQZ-UHFFFAOYSA-N 1 0 315.369 3.157 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCN(CC)CC2(C)C)c(O)c1 ZINC001140856423 1092031554 /nfs/dbraw/zinc/03/15/54/1092031554.db2.gz JUBZGMPMEDYLCC-UHFFFAOYSA-N 1 0 319.493 3.155 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c(O)c1 ZINC001140856757 1092032666 /nfs/dbraw/zinc/03/26/66/1092032666.db2.gz MNMYEHGALBJWMB-PBHICJAKSA-N 1 0 306.450 3.238 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(CO)CC2)c(Cl)c1 ZINC001140922520 1092062936 /nfs/dbraw/zinc/06/29/36/1092062936.db2.gz SNNSRFFVTYDQKV-KRWDZBQOSA-N 1 0 310.869 3.391 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)CC[C@@]1(C)O ZINC001140921276 1092063644 /nfs/dbraw/zinc/06/36/44/1092063644.db2.gz AQAWAAMSPLCSQI-SUMWQHHRSA-N 1 0 310.869 3.389 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c(Cl)c1 ZINC001140922312 1092063662 /nfs/dbraw/zinc/06/36/62/1092063662.db2.gz NSSGFFMPQVPKBL-INIZCTEOSA-N 1 0 314.832 3.093 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC001140922558 1092065160 /nfs/dbraw/zinc/06/51/60/1092065160.db2.gz ULPPDXNRFLAAQB-QGZVFWFLSA-N 1 0 308.853 3.409 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c(Cl)c1 ZINC001140926602 1092067206 /nfs/dbraw/zinc/06/72/06/1092067206.db2.gz PANSSDGKWQOEHU-HNNXBMFYSA-N 1 0 324.852 3.133 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1 ZINC001140948239 1092074361 /nfs/dbraw/zinc/07/43/61/1092074361.db2.gz ZCXFZVXTNFUKHI-AWEZNQCLSA-N 1 0 320.433 3.142 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c(O)c1 ZINC001140948234 1092074906 /nfs/dbraw/zinc/07/49/06/1092074906.db2.gz ZBTKJOHCUJINLA-DOMZBBRYSA-N 1 0 317.351 3.226 20 10 DGCDRO CCCc1noc(C2CC[NH+](Cc3ccc(C)cc3O)CC2)n1 ZINC001140957974 1092082423 /nfs/dbraw/zinc/08/24/23/1092082423.db2.gz ORKAVOFFFGERGS-UHFFFAOYSA-N 1 0 315.417 3.416 20 10 DGCDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(C)cc1O ZINC001140958273 1092083012 /nfs/dbraw/zinc/08/30/12/1092083012.db2.gz WVFNWFDYOLABLR-UHFFFAOYSA-N 1 0 322.449 3.389 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2OCc3ccccc32)c1O ZINC001207805830 1092105731 /nfs/dbraw/zinc/10/57/31/1092105731.db2.gz KVXWFQKMIHRVTN-INIZCTEOSA-N 1 0 319.788 3.415 20 10 DGCDRO CC1(C)C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCCO1 ZINC001141075873 1092129402 /nfs/dbraw/zinc/12/94/02/1092129402.db2.gz DTRVLNYEZFYARA-UHFFFAOYSA-N 1 0 314.473 3.386 20 10 DGCDRO CCOC1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141076629 1092129717 /nfs/dbraw/zinc/12/97/17/1092129717.db2.gz XYCPGMDCBBAVTE-UHFFFAOYSA-N 1 0 314.473 3.386 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)[C@@H](C)C1 ZINC001141079268 1092131109 /nfs/dbraw/zinc/13/11/09/1092131109.db2.gz ZPGLRYNLJGQNQL-HNAYVOBHSA-N 1 0 314.473 3.385 20 10 DGCDRO c1cnc2c(c1)CC[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141078138 1092131178 /nfs/dbraw/zinc/13/11/78/1092131178.db2.gz MCMRNINGTMWQGG-UHFFFAOYSA-N 1 0 319.452 3.339 20 10 DGCDRO Cc1ccc(CC[N@@H+](C)Cc2ccc3c(c2)OCCN3C)cc1 ZINC001141144320 1092150297 /nfs/dbraw/zinc/15/02/97/1092150297.db2.gz ZNLNJZHTMHOXDR-UHFFFAOYSA-N 1 0 310.441 3.498 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1 ZINC001141158871 1092156098 /nfs/dbraw/zinc/15/60/98/1092156098.db2.gz PPDJHQYGQXJRSB-UHFFFAOYSA-N 1 0 317.360 3.280 20 10 DGCDRO Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cc(O)ccc3O)C2)cc1 ZINC001141158796 1092156309 /nfs/dbraw/zinc/15/63/09/1092156309.db2.gz NMFLZCTUBXMEOC-GOSISDBHSA-N 1 0 313.397 3.450 20 10 DGCDRO Oc1cc2c(cc1O)C[N@H+](CCc1cccc(F)c1)CCC2 ZINC001208201198 1092261023 /nfs/dbraw/zinc/26/10/23/1092261023.db2.gz DCUGXCDQHZVNIL-UHFFFAOYSA-N 1 0 301.361 3.228 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2[nH]cnc2C(C)(C)C)cc1 ZINC001142235387 1092444373 /nfs/dbraw/zinc/44/43/73/1092444373.db2.gz UWQVSRWNPDMMJW-UHFFFAOYSA-N 1 0 300.450 3.405 20 10 DGCDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001168985418 1092462796 /nfs/dbraw/zinc/46/27/96/1092462796.db2.gz FCQFAZJRIVUERG-BLLLJJGKSA-N 1 0 300.358 3.080 20 10 DGCDRO CC[C@H](C)CCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001168961433 1092464709 /nfs/dbraw/zinc/46/47/09/1092464709.db2.gz JYYVNAWYBKGZFW-HNNXBMFYSA-N 1 0 320.477 3.426 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023293 1092505974 /nfs/dbraw/zinc/50/59/74/1092505974.db2.gz FDUDXTISOYVDTC-WMZOPIPTSA-N 1 0 317.433 3.164 20 10 DGCDRO C[N@H+]1CC=C(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)CC1 ZINC001208909945 1092580382 /nfs/dbraw/zinc/58/03/82/1092580382.db2.gz KPUFWCYRXURPGV-UHFFFAOYSA-N 1 0 323.396 3.119 20 10 DGCDRO CCC(=O)NC1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143110616 1092616197 /nfs/dbraw/zinc/61/61/97/1092616197.db2.gz LMLKQUXARAGHRG-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO CC[N@@H+](Cc1ccccc1O)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001208999787 1092619442 /nfs/dbraw/zinc/61/94/42/1092619442.db2.gz SIYFIMFCAUKUDL-OAHLLOKOSA-N 1 0 320.433 3.224 20 10 DGCDRO CCN1CCC([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001169258571 1092620986 /nfs/dbraw/zinc/62/09/86/1092620986.db2.gz MSAHHXDJMQTBHP-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO CCOC(=O)CCCCCC[N@@H+]1CCc2cccc(O)c2C1 ZINC001209349927 1092741248 /nfs/dbraw/zinc/74/12/48/1092741248.db2.gz DRWUWCHPZYTTQN-UHFFFAOYSA-N 1 0 305.418 3.264 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)cc1 ZINC001209516889 1092806019 /nfs/dbraw/zinc/80/60/19/1092806019.db2.gz RWRLHDZWKBEAJS-RBUKOAKNSA-N 1 0 316.420 3.389 20 10 DGCDRO CC[N@H+](Cc1cc(F)c(O)c(OC)c1)Cc1ccccc1O ZINC001209529748 1092811096 /nfs/dbraw/zinc/81/10/96/1092811096.db2.gz BYQKIJCKNFQEPM-UHFFFAOYSA-N 1 0 305.349 3.268 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cn(C)c3ncccc23)cc1 ZINC001209750714 1092901061 /nfs/dbraw/zinc/90/10/61/1092901061.db2.gz MHUWMOKTBKQINA-UHFFFAOYSA-N 1 0 308.429 3.271 20 10 DGCDRO CCC/C(C)=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134882833 1094323170 /nfs/dbraw/zinc/32/31/70/1094323170.db2.gz VICJRMKBWVZKRP-XXTMNZORSA-N 1 0 317.477 3.218 20 10 DGCDRO CCC/C(C)=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134882831 1094323627 /nfs/dbraw/zinc/32/36/27/1094323627.db2.gz VICJRMKBWVZKRP-FDPSAONLSA-N 1 0 317.477 3.218 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC001120263948 1094397420 /nfs/dbraw/zinc/39/74/20/1094397420.db2.gz XQQQGRFOGXLBSU-KRWDZBQOSA-N 1 0 310.397 3.377 20 10 DGCDRO Nc1ccc(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC001120269665 1094398520 /nfs/dbraw/zinc/39/85/20/1094398520.db2.gz XXCYRHKDJKRZTQ-GFCCVEGCSA-N 1 0 322.334 3.067 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC001120371342 1094417155 /nfs/dbraw/zinc/41/71/55/1094417155.db2.gz WCWFYEBORWEZHP-AWEZNQCLSA-N 1 0 309.413 3.246 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCF)cc1C ZINC001135212375 1094452086 /nfs/dbraw/zinc/45/20/86/1094452086.db2.gz WIFCQPZLULORNF-GJZGRUSLSA-N 1 0 324.440 3.126 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000406135050 1094492908 /nfs/dbraw/zinc/49/29/08/1094492908.db2.gz MTVSYSMLQPTYDF-FQEVSTJZSA-N 1 0 310.441 3.455 20 10 DGCDRO CC[C@@H](C)CCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135612481 1094598746 /nfs/dbraw/zinc/59/87/46/1094598746.db2.gz YQHMUCNERYOMQX-CQSZACIVSA-N 1 0 306.450 3.036 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)c(O)c1OC ZINC001336735886 1094717180 /nfs/dbraw/zinc/71/71/80/1094717180.db2.gz PKZFAMQGIQARFP-JKSUJKDBSA-N 1 0 313.397 3.130 20 10 DGCDRO CC1(C)CC(Oc2ccc(N3CC[NH2+]CC3)cc2)CC(C)(C)O1 ZINC001218408626 1094758470 /nfs/dbraw/zinc/75/84/70/1094758470.db2.gz JICBBEPOUIFJRO-UHFFFAOYSA-N 1 0 318.461 3.211 20 10 DGCDRO Fc1ccc2c(c1)CC[C@@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218415892 1094763224 /nfs/dbraw/zinc/76/32/24/1094763224.db2.gz DYOZTTYQGPATHU-IBGZPJMESA-N 1 0 312.388 3.302 20 10 DGCDRO [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000311939118 1094970534 /nfs/dbraw/zinc/97/05/34/1094970534.db2.gz HMOMPIBISHEPLJ-SNVBAGLBSA-N 1 0 303.233 3.260 20 10 DGCDRO CCc1ccc(CN2CC3(C2)C[NH+](C2CCCC2)C3)c(O)c1 ZINC001276804814 1094975844 /nfs/dbraw/zinc/97/58/44/1094975844.db2.gz KTZZDQVJEWYUHO-UHFFFAOYSA-N 1 0 300.446 3.015 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CC[NH+](CC(C)C)CC2)c1O ZINC000315285696 1095098908 /nfs/dbraw/zinc/09/89/08/1095098908.db2.gz CNINNEAETDVMLN-UHFFFAOYSA-N 1 0 324.852 3.022 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000315473541 1095108286 /nfs/dbraw/zinc/10/82/86/1095108286.db2.gz KCSDXZZGEVZTCQ-CJNGLKHVSA-N 1 0 300.446 3.465 20 10 DGCDRO Oc1cccc(C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)c1O ZINC001171021312 1095143147 /nfs/dbraw/zinc/14/31/47/1095143147.db2.gz AEZNOLUNXYNYCI-CYBMUJFWSA-N 1 0 303.789 3.398 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154741 1095463052 /nfs/dbraw/zinc/46/30/52/1095463052.db2.gz QCKOHOPLOPRVBZ-OAHLLOKOSA-N 1 0 315.244 3.275 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@@]12CCC[NH2+]C2 ZINC001222197387 1095487510 /nfs/dbraw/zinc/48/75/10/1095487510.db2.gz GHSANEJSGIEWGO-CQSZACIVSA-N 1 0 301.217 3.027 20 10 DGCDRO CC(C)(C)c1ccc(CN2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222253409 1095513347 /nfs/dbraw/zinc/51/33/47/1095513347.db2.gz OTZVYWOZNUHDEJ-IBGZPJMESA-N 1 0 302.462 3.408 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001116443588 1095553887 /nfs/dbraw/zinc/55/38/87/1095553887.db2.gz BPCWNSHOLWYHJX-MJGOQNOKSA-N 1 0 300.446 3.288 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC001116444526 1095556551 /nfs/dbraw/zinc/55/65/51/1095556551.db2.gz XECYEQDNHBPCDP-SFHVURJKSA-N 1 0 316.445 3.014 20 10 DGCDRO C[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1 ZINC001116445638 1095557242 /nfs/dbraw/zinc/55/72/42/1095557242.db2.gz QEBWZANQGVFAIE-OAHLLOKOSA-N 1 0 316.420 3.275 20 10 DGCDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001339509744 1095642763 /nfs/dbraw/zinc/64/27/63/1095642763.db2.gz MSSAJYJAAOAFCR-CVEARBPZSA-N 1 0 321.484 3.492 20 10 DGCDRO COC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001116820188 1095669539 /nfs/dbraw/zinc/66/95/39/1095669539.db2.gz UOIORDKLXKZGRH-TZMCWYRMSA-N 1 0 318.417 3.069 20 10 DGCDRO COC(=O)N1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001116820186 1095669604 /nfs/dbraw/zinc/66/96/04/1095669604.db2.gz UOIORDKLXKZGRH-OCCSQVGLSA-N 1 0 318.417 3.069 20 10 DGCDRO CCc1ccc(CN2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001222568419 1095670546 /nfs/dbraw/zinc/67/05/46/1095670546.db2.gz BXRHXZUOIGBQSD-OALUTQOASA-N 1 0 308.425 3.026 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c(O)c1 ZINC001144515640 1095700913 /nfs/dbraw/zinc/70/09/13/1095700913.db2.gz UBOMQHNDDGKWJE-HNNXBMFYSA-N 1 0 321.323 3.419 20 10 DGCDRO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137839728 1095758103 /nfs/dbraw/zinc/75/81/03/1095758103.db2.gz HVUBMZICUCFPEH-GFCCVEGCSA-N 1 0 309.381 3.085 20 10 DGCDRO Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)n1-c1ccccc1 ZINC001137858999 1095768847 /nfs/dbraw/zinc/76/88/47/1095768847.db2.gz DVAJRFADBAURQX-KDURUIRLSA-N 1 0 309.457 3.088 20 10 DGCDRO Cc1cc(CN2CC([NH+]3CCCC3)C2)c(C)n1-c1ccccc1 ZINC001137857909 1095769500 /nfs/dbraw/zinc/76/95/00/1095769500.db2.gz NZGMVIYCXSZVFU-UHFFFAOYSA-N 1 0 309.457 3.374 20 10 DGCDRO Cc1cc(C[N@H+](C)CCC2OCCO2)c(C)n1-c1ccccc1 ZINC001137859410 1095769770 /nfs/dbraw/zinc/76/97/70/1095769770.db2.gz XGIONCXPJZDILL-UHFFFAOYSA-N 1 0 314.429 3.289 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC001117671851 1095795954 /nfs/dbraw/zinc/79/59/54/1095795954.db2.gz RBEAXLQTMORERM-XJKSGUPXSA-N 1 0 324.424 3.067 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1CCC2(COc3ccccc32)CC1 ZINC001138129677 1095900437 /nfs/dbraw/zinc/90/04/37/1095900437.db2.gz QRSHOFQUEXOQTM-UHFFFAOYSA-N 1 0 313.372 3.458 20 10 DGCDRO CCC[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCN(C)C1 ZINC001118201661 1095958153 /nfs/dbraw/zinc/95/81/53/1095958153.db2.gz LUHRZBZECRNLOA-LJQANCHMSA-N 1 0 301.478 3.203 20 10 DGCDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC001118577316 1096040807 /nfs/dbraw/zinc/04/08/07/1096040807.db2.gz MSRZMHAMUJBAES-MFKMUULPSA-N 1 0 316.239 3.041 20 10 DGCDRO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3cccc(C)c3O)C2)cc1 ZINC001119516275 1096218564 /nfs/dbraw/zinc/21/85/64/1096218564.db2.gz SWHUWDZHMNNXEI-KRWDZBQOSA-N 1 0 310.397 3.292 20 10 DGCDRO Oc1ccc(CC[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)cc1O ZINC001171339352 1096456474 /nfs/dbraw/zinc/45/64/74/1096456474.db2.gz FFEPQHMQIOMYLH-AWEZNQCLSA-N 1 0 319.351 3.066 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226782991 1096776691 /nfs/dbraw/zinc/77/66/91/1096776691.db2.gz AXJQXZGXNIIWCW-UHFFFAOYSA-N 1 0 301.478 3.251 20 10 DGCDRO Oc1cccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)c1O ZINC001171517578 1096916072 /nfs/dbraw/zinc/91/60/72/1096916072.db2.gz OWYCNGIDYKJIOK-NSHDSACASA-N 1 0 323.314 3.162 20 10 DGCDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC001171608469 1096933686 /nfs/dbraw/zinc/93/36/86/1096933686.db2.gz QINRHIGGFSWDIX-KRWDZBQOSA-N 1 0 306.450 3.209 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001171730490 1096956910 /nfs/dbraw/zinc/95/69/10/1096956910.db2.gz WLLMJECRCRMTEC-OALUTQOASA-N 1 0 318.461 3.021 20 10 DGCDRO CC[C@H](C)OCC[C@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172347182 1097120555 /nfs/dbraw/zinc/12/05/55/1097120555.db2.gz LJBWNFOBRPSKHC-KBPBESRZSA-N 1 0 307.434 3.440 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001172591854 1097189871 /nfs/dbraw/zinc/18/98/71/1097189871.db2.gz LNDHJVSYMKGLBR-IAGOWNOFSA-N 1 0 316.445 3.108 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001172599537 1097191602 /nfs/dbraw/zinc/19/16/02/1097191602.db2.gz IOGJDUHEVITHSE-NVXWUHKLSA-N 1 0 313.397 3.367 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001172808097 1097244945 /nfs/dbraw/zinc/24/49/45/1097244945.db2.gz QXXVBCWIMKMMHZ-SJLPKXTDSA-N 1 0 318.461 3.306 20 10 DGCDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1O ZINC001173231331 1097377362 /nfs/dbraw/zinc/37/73/62/1097377362.db2.gz BFXJVLYAUTVDFE-ZDUSSCGKSA-N 1 0 300.358 3.363 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001173662080 1097485201 /nfs/dbraw/zinc/48/52/01/1097485201.db2.gz VAYVPJRNHOMKHK-SJLPKXTDSA-N 1 0 318.461 3.306 20 10 DGCDRO COC(=O)C1(C)CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231590436 1097785072 /nfs/dbraw/zinc/78/50/72/1097785072.db2.gz ZZOXKXKREYGFGH-UHFFFAOYSA-N 1 0 313.397 3.321 20 10 DGCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590059 1097785822 /nfs/dbraw/zinc/78/58/22/1097785822.db2.gz HDVYOGDJVUSPMU-CQSZACIVSA-N 1 0 313.397 3.321 20 10 DGCDRO O=C1CCC[C@]2(CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)N1 ZINC001231586765 1097786000 /nfs/dbraw/zinc/78/60/00/1097786000.db2.gz GFGXLDQXRLCWIH-HXUWFJFHSA-N 1 0 324.424 3.180 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c1O ZINC001231591881 1097787490 /nfs/dbraw/zinc/78/74/90/1097787490.db2.gz BXBDCTPHXIKHPE-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c1O ZINC001231594817 1097788202 /nfs/dbraw/zinc/78/82/02/1097788202.db2.gz PMPSEVSSQKZWKF-OAHLLOKOSA-N 1 0 305.418 3.397 20 10 DGCDRO Cc1cccc(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC001231595092 1097788533 /nfs/dbraw/zinc/78/85/33/1097788533.db2.gz RYMQJVBHTBFWBS-UHFFFAOYSA-N 1 0 320.433 3.047 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cccc(Cl)c2)c(O)cc1O ZINC001231636709 1097796901 /nfs/dbraw/zinc/79/69/01/1097796901.db2.gz UKWCQPDDENIWBY-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO COc1cc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c(O)cc1O ZINC001231638946 1097798104 /nfs/dbraw/zinc/79/81/04/1097798104.db2.gz ISNIWIKKADYQJB-UHFFFAOYSA-N 1 0 321.417 3.030 20 10 DGCDRO Cc1cc(C)c(C[NH+]2CCN(CCc3ccccc3)CC2)c(O)c1 ZINC001231845518 1097862000 /nfs/dbraw/zinc/86/20/00/1097862000.db2.gz NUDVSTVFNFCIQC-UHFFFAOYSA-N 1 0 324.468 3.369 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC001231850233 1097863494 /nfs/dbraw/zinc/86/34/94/1097863494.db2.gz MRWXWRGKMZYTIE-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001231851525 1097864674 /nfs/dbraw/zinc/86/46/74/1097864674.db2.gz IIJBSFFMQURAQI-UHFFFAOYSA-N 1 0 312.413 3.025 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001231853452 1097864723 /nfs/dbraw/zinc/86/47/23/1097864723.db2.gz KJSVWSZXACGPRT-GOSISDBHSA-N 1 0 311.429 3.493 20 10 DGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231853367 1097865127 /nfs/dbraw/zinc/86/51/27/1097865127.db2.gz JEXNWQSGVKRJNV-INIZCTEOSA-N 1 0 306.450 3.152 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@H+](C)CCc1cccs1 ZINC001231853056 1097865711 /nfs/dbraw/zinc/86/57/11/1097865711.db2.gz DPOHYPIEUUHPKR-UHFFFAOYSA-N 1 0 304.459 3.497 20 10 DGCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870210 1097870016 /nfs/dbraw/zinc/87/00/16/1097870016.db2.gz NWLYJFOTTASBLX-LBPRGKRZSA-N 1 0 311.809 3.129 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC3(C[C@H](F)CO3)CC2)cc1Cl ZINC001231870254 1097870172 /nfs/dbraw/zinc/87/01/72/1097870172.db2.gz PXXPIMLHUZWZGE-ZDUSSCGKSA-N 1 0 313.800 3.447 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCN(c3cccnc3)CC2)cc1Cl ZINC001231866662 1097870233 /nfs/dbraw/zinc/87/02/33/1097870233.db2.gz BQFZSCTXTJKZSJ-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO COC(=O)C1(C)CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231870889 1097872044 /nfs/dbraw/zinc/87/20/44/1097872044.db2.gz WBDGGPOAIOCGSM-UHFFFAOYSA-N 1 0 311.809 3.129 20 10 DGCDRO Oc1c(C[NH+]2CCN(c3cccnc3)CC2)ccc2ccccc21 ZINC001231879945 1097876548 /nfs/dbraw/zinc/87/65/48/1097876548.db2.gz XWCGAYRCBXUZKM-UHFFFAOYSA-N 1 0 319.408 3.263 20 10 DGCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231881869 1097877481 /nfs/dbraw/zinc/87/74/81/1097877481.db2.gz KIYLGARRTULKIC-CJNGLKHVSA-N 1 0 313.397 3.319 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)[C@H]1C ZINC001231880291 1097877643 /nfs/dbraw/zinc/87/76/43/1097877643.db2.gz BGAYKVZEGMRMSW-XJKSGUPXSA-N 1 0 313.397 3.319 20 10 DGCDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCC2(C1)OCCO2 ZINC001231884303 1097879517 /nfs/dbraw/zinc/87/95/17/1097879517.db2.gz ZORGTXMADLTFJD-MRXNPFEDSA-N 1 0 313.397 3.273 20 10 DGCDRO CC(=O)Nc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(C)c1 ZINC001232187734 1097961306 /nfs/dbraw/zinc/96/13/06/1097961306.db2.gz SHFYIDVJDQNSKG-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)c(O)cc2O)cc1 ZINC001232258128 1097983367 /nfs/dbraw/zinc/98/33/67/1097983367.db2.gz QSNLMILRCAJZRE-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO CC[N@H+](Cc1ccncc1)Cc1cc(Cl)c(OC)cc1O ZINC001232266116 1097986653 /nfs/dbraw/zinc/98/66/53/1097986653.db2.gz QQECNTSNZNCSIM-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2cccnc2)cc1Cl ZINC001232269578 1097989049 /nfs/dbraw/zinc/98/90/49/1097989049.db2.gz FLCDUPVMAGXFST-UHFFFAOYSA-N 1 0 306.793 3.124 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c2ccccc2n1C ZINC001232400335 1098028322 /nfs/dbraw/zinc/02/83/22/1098028322.db2.gz DMTCBMDXRANMHY-OKILXGFUSA-N 1 0 312.413 3.197 20 10 DGCDRO COC(=O)c1c(C[NH+]2C[C@@H](C)C[C@H](C)C2)c2ccccc2n1C ZINC001232403637 1098030056 /nfs/dbraw/zinc/03/00/56/1098030056.db2.gz AIDIBUPETNIBMV-KBPBESRZSA-N 1 0 314.429 3.443 20 10 DGCDRO CSc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC001175425398 1098042242 /nfs/dbraw/zinc/04/22/42/1098042242.db2.gz AKXYKYZVMWAQJJ-LBPRGKRZSA-N 1 0 316.426 3.403 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(Br)[nH]2)cc1 ZINC001232689092 1098114590 /nfs/dbraw/zinc/11/45/90/1098114590.db2.gz BNDFYLFGLUESHC-UHFFFAOYSA-N 1 0 322.250 3.475 20 10 DGCDRO COc1ccccc1C[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232838482 1098149020 /nfs/dbraw/zinc/14/90/20/1098149020.db2.gz GINIOSRRAVOTSY-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)c(O)c1 ZINC001232841704 1098150480 /nfs/dbraw/zinc/15/04/80/1098150480.db2.gz OZDNIOGYZBBOTL-GOSISDBHSA-N 1 0 318.461 3.239 20 10 DGCDRO Oc1cc2c(cc1O)C[N@H+](Cc1ccc3ncoc3c1)CCC2 ZINC001232945339 1098178980 /nfs/dbraw/zinc/17/89/80/1098178980.db2.gz PNXYUSIUIFQBTQ-UHFFFAOYSA-N 1 0 310.353 3.187 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001233284294 1098275077 /nfs/dbraw/zinc/27/50/77/1098275077.db2.gz PDKYPBNALVKAHV-OAHLLOKOSA-N 1 0 317.351 3.189 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC001233286531 1098276253 /nfs/dbraw/zinc/27/62/53/1098276253.db2.gz XVMCTRAYBXTMPV-QGZVFWFLSA-N 1 0 302.462 3.360 20 10 DGCDRO CN1C[C@H]2CCC[N@H+](Cc3cc(C(C)(C)C)ccc3O)[C@@H]2C1 ZINC001233286201 1098276501 /nfs/dbraw/zinc/27/65/01/1098276501.db2.gz JPVIWNCRZVMVBW-RHSMWYFYSA-N 1 0 302.462 3.216 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c1O ZINC001233287738 1098277745 /nfs/dbraw/zinc/27/77/45/1098277745.db2.gz GAVBDKBNMNKFAO-ABAIWWIYSA-N 1 0 311.809 3.055 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c1O ZINC001233287809 1098278486 /nfs/dbraw/zinc/27/84/86/1098278486.db2.gz IENBAGGTZCFYGK-MRXNPFEDSA-N 1 0 311.809 3.199 20 10 DGCDRO Oc1c(CN2CC[C@@H]([NH+]3CCCC3)C2)cccc1C(F)(F)F ZINC001233418613 1098326291 /nfs/dbraw/zinc/32/62/91/1098326291.db2.gz OLYJCTNPGLOKHK-CYBMUJFWSA-N 1 0 314.351 3.081 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@@H]1O ZINC001233451819 1098337889 /nfs/dbraw/zinc/33/78/89/1098337889.db2.gz AIYVSKAIGCGLJG-MFKMUULPSA-N 1 0 303.324 3.004 20 10 DGCDRO CCCO[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453951 1098339551 /nfs/dbraw/zinc/33/95/51/1098339551.db2.gz ABDAWTCZKGBLEK-ZDUSSCGKSA-N 1 0 303.324 3.412 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCCC12COC2 ZINC001233454254 1098339911 /nfs/dbraw/zinc/33/99/11/1098339911.db2.gz NNIVJPNJLWHMHY-UHFFFAOYSA-N 1 0 301.308 3.166 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCCC1=O ZINC001233726691 1098416621 /nfs/dbraw/zinc/41/66/21/1098416621.db2.gz GFRIOEVYRGJCGC-SNVBAGLBSA-N 1 0 317.307 3.092 20 10 DGCDRO Oc1c(C[N@@H+]2CC[C@]3(CCCO3)C2)cccc1OC(F)(F)F ZINC001233736687 1098419953 /nfs/dbraw/zinc/41/99/53/1098419953.db2.gz PROICRGQBHASLQ-CQSZACIVSA-N 1 0 317.307 3.046 20 10 DGCDRO CCCO[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233755572 1098423323 /nfs/dbraw/zinc/42/33/23/1098423323.db2.gz WJDUPQNTUGXOQY-GFCCVEGCSA-N 1 0 319.323 3.292 20 10 DGCDRO OC[C@H](C[NH2+]Cc1ccc(Cl)cc1O)c1ccc(F)cc1 ZINC001206286859 1098447126 /nfs/dbraw/zinc/44/71/26/1098447126.db2.gz NACRAKUKDMCMIT-ZDUSSCGKSA-N 1 0 309.768 3.050 20 10 DGCDRO C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCC(C)CC1 ZINC001177548877 1098554472 /nfs/dbraw/zinc/55/44/72/1098554472.db2.gz VQODBOWPHNPBNX-QWNKOJSDSA-N 1 0 315.505 3.476 20 10 DGCDRO C[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCC(C)CC1 ZINC001177548878 1098554817 /nfs/dbraw/zinc/55/48/17/1098554817.db2.gz VQODBOWPHNPBNX-XFHJGTJQSA-N 1 0 315.505 3.476 20 10 DGCDRO Clc1ccc2ncc(C[NH2+]Cc3ccc4c(c3)CCO4)n2c1 ZINC001177586963 1098559256 /nfs/dbraw/zinc/55/92/56/1098559256.db2.gz QGWGAXUWDFXTRT-UHFFFAOYSA-N 1 0 313.788 3.212 20 10 DGCDRO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001206307887 1098560741 /nfs/dbraw/zinc/56/07/41/1098560741.db2.gz KOYZGPLBKUCUQV-UHFFFAOYSA-N 1 0 322.449 3.389 20 10 DGCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)C2CC2)cc1C ZINC001177721960 1098582954 /nfs/dbraw/zinc/58/29/54/1098582954.db2.gz UGNOZIIUEAJAKQ-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO COc1ccc2ccc(O)c(C[NH+]3CC(OC(C)C)C3)c2c1 ZINC001234569953 1098604016 /nfs/dbraw/zinc/60/40/16/1098604016.db2.gz VAXRGRCWQRRLAX-UHFFFAOYSA-N 1 0 301.386 3.163 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCCC[C@H]3F)cc2)CC1 ZINC001234660353 1098637329 /nfs/dbraw/zinc/63/73/29/1098637329.db2.gz HDZGLBODRCTOLP-MSOLQXFVSA-N 1 0 306.425 3.488 20 10 DGCDRO CCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178151220 1098724551 /nfs/dbraw/zinc/72/45/51/1098724551.db2.gz DLTXIRIWYWVHBP-RDJZCZTQSA-N 1 0 318.461 3.273 20 10 DGCDRO CC(=O)N1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1C ZINC001234998475 1098740724 /nfs/dbraw/zinc/74/07/24/1098740724.db2.gz KHOXTTWAHKUPLT-HNNXBMFYSA-N 1 0 324.424 3.112 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234998799 1098741225 /nfs/dbraw/zinc/74/12/25/1098741225.db2.gz JXZPTPNKVUBZRQ-HNNXBMFYSA-N 1 0 315.244 3.275 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@@H]3[NH2+]CC[C@@H]32)cc1Cl ZINC001235000065 1098743150 /nfs/dbraw/zinc/74/31/50/1098743150.db2.gz ATNGGAKACNRCDB-GJZGRUSLSA-N 1 0 308.853 3.279 20 10 DGCDRO Oc1c(CN2CCCCC23C[NH2+]C3)cccc1-c1ccccc1 ZINC001235103782 1098802827 /nfs/dbraw/zinc/80/28/27/1098802827.db2.gz GXNRRMBGTOPCQQ-UHFFFAOYSA-N 1 0 308.425 3.387 20 10 DGCDRO Oc1c(CN2CCC[C@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001235111627 1098813795 /nfs/dbraw/zinc/81/37/95/1098813795.db2.gz SCIBAXGYIWNNOO-HXUWFJFHSA-N 1 0 308.425 3.387 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235130776 1098828644 /nfs/dbraw/zinc/82/86/44/1098828644.db2.gz XCYBSSASNVRIMG-OAHLLOKOSA-N 1 0 315.244 3.417 20 10 DGCDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152215 1098836775 /nfs/dbraw/zinc/83/67/75/1098836775.db2.gz DUOSYKWDHWBSLQ-INIZCTEOSA-N 1 0 310.388 3.025 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235153114 1098840161 /nfs/dbraw/zinc/84/01/61/1098840161.db2.gz DVBSPVMZNQUAPV-SFHVURJKSA-N 1 0 302.462 3.309 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)CC2CCCC2)cc1 ZINC001178571829 1098879142 /nfs/dbraw/zinc/87/91/42/1098879142.db2.gz ZFWNODOFPFQOHO-MTIYJEKLSA-N 1 0 302.462 3.297 20 10 DGCDRO [O-]c1c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)ccc(F)c1F ZINC001235241284 1098915649 /nfs/dbraw/zinc/91/56/49/1098915649.db2.gz OAFZNWDMTMVEGL-OAHLLOKOSA-N 1 0 310.388 3.025 20 10 DGCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001206371849 1099036436 /nfs/dbraw/zinc/03/64/36/1099036436.db2.gz WWHKBILIVNJTFI-AWEZNQCLSA-N 1 0 320.330 3.064 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1c[nH]c3cnc(Cl)cc13)CC2 ZINC001235514537 1099073155 /nfs/dbraw/zinc/07/31/55/1099073155.db2.gz KQVGPPQADBNAEX-UHFFFAOYSA-N 1 0 313.788 3.480 20 10 DGCDRO CC(C)(C)c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(O)c1 ZINC001235679774 1099121848 /nfs/dbraw/zinc/12/18/48/1099121848.db2.gz QTKPCXAGFSBAPZ-KRWDZBQOSA-N 1 0 302.462 3.360 20 10 DGCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681860 1099123902 /nfs/dbraw/zinc/12/39/02/1099123902.db2.gz RIAXMEFWGQSCAP-SFHVURJKSA-N 1 0 305.418 3.075 20 10 DGCDRO CC(C)(C)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(O)c1 ZINC001235685566 1099126394 /nfs/dbraw/zinc/12/63/94/1099126394.db2.gz QTKPCXAGFSBAPZ-QGZVFWFLSA-N 1 0 302.462 3.360 20 10 DGCDRO c1ccc2c(c1)CCO[C@@H]2CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001179665484 1099169390 /nfs/dbraw/zinc/16/93/90/1099169390.db2.gz CWQWAVUKKBRMMI-HXUWFJFHSA-N 1 0 309.409 3.415 20 10 DGCDRO [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235887707 1099234423 /nfs/dbraw/zinc/23/44/23/1099234423.db2.gz HKXPLAYSCUPICJ-OAHLLOKOSA-N 1 0 312.816 3.149 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC2(C1)CCCC[NH2+]2 ZINC001235922818 1099260068 /nfs/dbraw/zinc/26/00/68/1099260068.db2.gz QKGPWAACJVPHBF-UHFFFAOYSA-N 1 0 301.217 3.027 20 10 DGCDRO C[C@@H]1C[C@H]([NH3+])CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001236049570 1099351516 /nfs/dbraw/zinc/35/15/16/1099351516.db2.gz FXCVZZZWRCIVTC-ACJLOTCBSA-N 1 0 314.404 3.367 20 10 DGCDRO CCC[C@H]1CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[NH2+]1 ZINC001236179311 1099448891 /nfs/dbraw/zinc/44/88/91/1099448891.db2.gz PZCQUSQRELSEHK-HNNXBMFYSA-N 1 0 316.445 3.150 20 10 DGCDRO CCN(CC)c1ccc(CN(C)[C@]2(C)CCC[NH2+]C2)c(OC)c1 ZINC001236206384 1099462395 /nfs/dbraw/zinc/46/23/95/1099462395.db2.gz KHSCWODLQBFONP-LJQANCHMSA-N 1 0 319.493 3.115 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1O ZINC001180592998 1099467735 /nfs/dbraw/zinc/46/77/35/1099467735.db2.gz IMXZTKCGMRYTMN-UONOGXRCSA-N 1 0 311.809 3.101 20 10 DGCDRO CN(Cc1ccc(C(F)(F)F)cc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216747 1099474165 /nfs/dbraw/zinc/47/41/65/1099474165.db2.gz MGPVWOLVLADABC-STQMWFEESA-N 1 0 302.340 3.113 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1 ZINC001180635193 1099480410 /nfs/dbraw/zinc/48/04/10/1099480410.db2.gz WYGXQDZWSGYCQM-IRXDYDNUSA-N 1 0 307.434 3.391 20 10 DGCDRO CC(C)N(Cc1cc(C(F)(F)F)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC001236470862 1099630221 /nfs/dbraw/zinc/63/02/21/1099630221.db2.gz RHAPSGDKBKJBBA-CQSZACIVSA-N 1 0 316.367 3.373 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(Br)cc2O)C2(CC2)C1 ZINC001236763042 1099773370 /nfs/dbraw/zinc/77/33/70/1099773370.db2.gz UXRKAKYPYHVOBA-VIFPVBQESA-N 1 0 312.207 3.235 20 10 DGCDRO C[C@H]1CCCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236764259 1099774222 /nfs/dbraw/zinc/77/42/22/1099774222.db2.gz DRMJQMSBDZYXDC-JTQLQIEISA-N 1 0 314.223 3.482 20 10 DGCDRO CC[C@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236770924 1099776614 /nfs/dbraw/zinc/77/66/14/1099776614.db2.gz LQYSWJWONOYATO-JTQLQIEISA-N 1 0 314.223 3.482 20 10 DGCDRO CCC[N@@H+](Cc1cc(O)c(Br)cc1O)CC1CC1 ZINC001236773723 1099777567 /nfs/dbraw/zinc/77/75/67/1099777567.db2.gz SSBHOCLZZSMKSB-UHFFFAOYSA-N 1 0 314.223 3.482 20 10 DGCDRO CC1(C)CC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236776001 1099778451 /nfs/dbraw/zinc/77/84/51/1099778451.db2.gz SCSBBFBUXSSSQW-UHFFFAOYSA-N 1 0 300.196 3.092 20 10 DGCDRO CC(C)[NH+](Cc1cc(O)c(Br)cc1O)C(C)C ZINC001236774155 1099778562 /nfs/dbraw/zinc/77/85/62/1099778562.db2.gz XHFORBIIWHKTHE-UHFFFAOYSA-N 1 0 302.212 3.479 20 10 DGCDRO C[C@H]1COCCN1Cc1cc(OCc2ccccc2)ccc1O ZINC001236778723 1099780931 /nfs/dbraw/zinc/78/09/31/1099780931.db2.gz MIVNIBGCAYMQLH-HNNXBMFYSA-N 1 0 313.397 3.192 20 10 DGCDRO CCc1ccc(CN2CC[NH+](C3CCCCC3)CC2)c(O)c1 ZINC001236784021 1099782456 /nfs/dbraw/zinc/78/24/56/1099782456.db2.gz RDQAHQRSMXUNQB-UHFFFAOYSA-N 1 0 302.462 3.405 20 10 DGCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(CC)cc2O)CC1 ZINC001236784849 1099782516 /nfs/dbraw/zinc/78/25/16/1099782516.db2.gz BTOZFZFLOMDQNT-UHFFFAOYSA-N 1 0 305.418 3.120 20 10 DGCDRO CCc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001236784074 1099783794 /nfs/dbraw/zinc/78/37/94/1099783794.db2.gz RYQJLCRDHUCMEK-XHDPSFHLSA-N 1 0 317.351 3.090 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c(O)c1 ZINC001236788680 1099784667 /nfs/dbraw/zinc/78/46/67/1099784667.db2.gz MZKDUVILGSXVTH-IBGZPJMESA-N 1 0 310.441 3.443 20 10 DGCDRO CCc1ccc(CN2CC[NH+](CC3CCCC3)CC2)c(O)c1 ZINC001236794204 1099787136 /nfs/dbraw/zinc/78/71/36/1099787136.db2.gz JTOVCVDOFZLWSF-UHFFFAOYSA-N 1 0 302.462 3.262 20 10 DGCDRO CC(C)[NH+]1CCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236792552 1099787209 /nfs/dbraw/zinc/78/72/09/1099787209.db2.gz FACSGNCTMOUAOZ-UHFFFAOYSA-N 1 0 303.233 3.225 20 10 DGCDRO CCc1ccc(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c(O)c1 ZINC001236791814 1099788491 /nfs/dbraw/zinc/78/84/91/1099788491.db2.gz MAZDQDLIMIDOLN-UHFFFAOYSA-N 1 0 318.461 3.035 20 10 DGCDRO CCc1ccc(C[NH+]2CCC(NC(=O)CC(C)C)CC2)c(O)c1 ZINC001236794400 1099790759 /nfs/dbraw/zinc/79/07/59/1099790759.db2.gz LOIBMOSRNSYEFX-UHFFFAOYSA-N 1 0 318.461 3.081 20 10 DGCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(Cl)c(Cl)cc3O)[C@@H]2C1 ZINC001236796541 1099791483 /nfs/dbraw/zinc/79/14/83/1099791483.db2.gz QCKOLHDWHOTVEL-QMTHXVAHSA-N 1 0 315.244 3.225 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(Cl)c1 ZINC001236798237 1099793026 /nfs/dbraw/zinc/79/30/26/1099793026.db2.gz DQBQSZGPNORWMF-GFCCVEGCSA-N 1 0 318.804 3.439 20 10 DGCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Cl)c(Cl)cc3O)C[C@@H]21 ZINC001236805231 1099795656 /nfs/dbraw/zinc/79/56/56/1099795656.db2.gz YAEJTYIRPDHNCM-HZMBPMFUSA-N 1 0 315.244 3.225 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCc3nc(C)sc3C2)c(O)c1 ZINC001236810819 1099799431 /nfs/dbraw/zinc/79/94/31/1099799431.db2.gz KAOLWFJGMZFHMN-UHFFFAOYSA-N 1 0 304.415 3.032 20 10 DGCDRO COc1cccc(CC[N@H+](C)Cc2c(C)cc(OC)cc2O)c1 ZINC001236811579 1099800397 /nfs/dbraw/zinc/80/03/97/1099800397.db2.gz RTLMKLVDDBOARA-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCOC3(CCCCC3)C2)c(O)c1 ZINC001236821025 1099806608 /nfs/dbraw/zinc/80/66/08/1099806608.db2.gz QEZBYNRDVKDWQD-UHFFFAOYSA-N 1 0 305.418 3.244 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)[C@H]1C ZINC001236830591 1099813958 /nfs/dbraw/zinc/81/39/58/1099813958.db2.gz BSHBTXUTNGWADL-GUYCJALGSA-N 1 0 313.397 3.319 20 10 DGCDRO CC(C)(C)c1cccc(CN2CC[NH2+]C[C@H]2C(F)(F)F)c1O ZINC001236975772 1099899624 /nfs/dbraw/zinc/89/96/24/1099899624.db2.gz KDGDXSJOTLXCSL-ZDUSSCGKSA-N 1 0 316.367 3.026 20 10 DGCDRO COCc1noc2c1CN(Cc1ccc(C(C)C)cc1O)CC2 ZINC001237048246 1099941734 /nfs/dbraw/zinc/94/17/34/1099941734.db2.gz ICMLREAKGQUZAI-UHFFFAOYSA-N 1 0 316.401 3.208 20 10 DGCDRO CC(C)c1ccc(C[NH+]2CCN(c3nccs3)CC2)c(O)c1 ZINC001237044971 1099942455 /nfs/dbraw/zinc/94/24/55/1099942455.db2.gz GHLSNPCGKIBIRY-UHFFFAOYSA-N 1 0 317.458 3.294 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)C2CC(C)C2)c(Br)c1 ZINC001237065721 1099952675 /nfs/dbraw/zinc/95/26/75/1099952675.db2.gz QYGUZSUQVAYURT-UHFFFAOYSA-N 1 0 314.223 3.394 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237059946 1099952954 /nfs/dbraw/zinc/95/29/54/1099952954.db2.gz QQTJVJYPKXCGOI-GVXVVHGQSA-N 1 0 319.298 3.266 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[NH+](CC2CC2)CC1 ZINC001237082989 1099961171 /nfs/dbraw/zinc/96/11/71/1099961171.db2.gz VESYSSZEBQHLRJ-UHFFFAOYSA-N 1 0 315.244 3.227 20 10 DGCDRO C[C@@]1(C[NH3+])CCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001237083217 1099961909 /nfs/dbraw/zinc/96/19/09/1099961909.db2.gz XPLAJQZDROACPE-AWEZNQCLSA-N 1 0 303.233 3.260 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCC([NH+]2CCC2)CC1 ZINC001237083633 1099962651 /nfs/dbraw/zinc/96/26/51/1099962651.db2.gz BHOJAMFHWOBGFA-UHFFFAOYSA-N 1 0 315.244 3.369 20 10 DGCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127868 1099984690 /nfs/dbraw/zinc/98/46/90/1099984690.db2.gz HAROTODACCDXCC-NSHDSACASA-N 1 0 300.805 3.099 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C[C@@H]1CCCCO1 ZINC001237122907 1099981725 /nfs/dbraw/zinc/98/17/25/1099981725.db2.gz MBOQLZLDVWPZMH-NSHDSACASA-N 1 0 319.323 3.292 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)CCC[C@]1(C)O ZINC001237125000 1099984076 /nfs/dbraw/zinc/98/40/76/1099984076.db2.gz UUNTZDKJTUMVMV-BMIGLBTASA-N 1 0 301.789 3.168 20 10 DGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001237124493 1099984243 /nfs/dbraw/zinc/98/42/43/1099984243.db2.gz 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Cc1cccnc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001198641320 1101937280 /nfs/dbraw/zinc/93/72/80/1101937280.db2.gz OYBMBYOBVFXRGY-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO C[C@@]1(F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138496506 1103167875 /nfs/dbraw/zinc/16/78/75/1103167875.db2.gz RWLQXBYCOKGSEA-GOSISDBHSA-N 1 0 306.425 3.237 20 10 DGCDRO COc1ccc(C[NH2+]C2(CNC(=O)CC(C)C)CCC2)cc1C ZINC001326772629 1103436348 /nfs/dbraw/zinc/43/63/48/1103436348.db2.gz BHWOFRROMFUQSL-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC001327999729 1103798541 /nfs/dbraw/zinc/79/85/41/1103798541.db2.gz HNDROYLGIVZYSM-KURKYZTESA-N 1 0 302.462 3.436 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1C ZINC001649166043 1104042613 /nfs/dbraw/zinc/04/26/13/1104042613.db2.gz DZZKDNBCCIQVER-CQSZACIVSA-N 1 0 306.450 3.177 20 10 DGCDRO CC[NH+](CC)C1CCN(Cc2c(O)ccc3ccncc32)CC1 ZINC001328986991 1104115283 /nfs/dbraw/zinc/11/52/83/1104115283.db2.gz HGGYXXNXOFRSQX-UHFFFAOYSA-N 1 0 313.445 3.247 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C ZINC001330850305 1104661340 /nfs/dbraw/zinc/66/13/40/1104661340.db2.gz NQTGJJAYHVLVEQ-HNNXBMFYSA-N 1 0 321.484 3.349 20 10 DGCDRO CCOc1ccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)nc2c1 ZINC001247013445 1104778736 /nfs/dbraw/zinc/77/87/36/1104778736.db2.gz KIUGWTOXERYACH-UHFFFAOYSA-N 1 0 322.412 3.038 20 10 DGCDRO Oc1c(F)cccc1CN1CC[NH+](CC2CCCCC2)CC1 ZINC001138122457 1105000458 /nfs/dbraw/zinc/00/04/58/1105000458.db2.gz GPUFVPSQJMBXDN-UHFFFAOYSA-N 1 0 306.425 3.229 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C34CC([NH3+])(C3)C4)n2)cc1 ZINC001247866871 1105003285 /nfs/dbraw/zinc/00/32/85/1105003285.db2.gz GHEYQXYLIKAYHM-UHFFFAOYSA-N 1 0 320.396 3.277 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3[NH2+]C[C@H]4C[C@H]43)n2)cc1 ZINC001248300696 1105091938 /nfs/dbraw/zinc/09/19/38/1105091938.db2.gz GLEUTVQTNMQEFG-DJIMGWMZSA-N 1 0 320.396 3.425 20 10 DGCDRO CC[N@H+](Cc1ccc(CC(=O)OC)cc1O)C1CCCCC1 ZINC001249171704 1105238828 /nfs/dbraw/zinc/23/88/28/1105238828.db2.gz DTFVKCXBUJTLOO-UHFFFAOYSA-N 1 0 305.418 3.262 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[C@H]1O ZINC001249223838 1105249870 /nfs/dbraw/zinc/24/98/70/1105249870.db2.gz OLSZXCCUACEHGO-XJKSGUPXSA-N 1 0 317.429 3.169 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)ccc2O1 ZINC001249252006 1105256743 /nfs/dbraw/zinc/25/67/43/1105256743.db2.gz DXLIHRADUUAUKC-CJNGLKHVSA-N 1 0 315.413 3.187 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CCCOC1 ZINC001249258485 1105258486 /nfs/dbraw/zinc/25/84/86/1105258486.db2.gz IPFJMJVEIPJURP-AWEZNQCLSA-N 1 0 303.402 3.187 20 10 DGCDRO CC[N@@H+]1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@H]1C ZINC001249263812 1105260142 /nfs/dbraw/zinc/26/01/42/1105260142.db2.gz XZNLCTVZLKHBGW-CQSZACIVSA-N 1 0 316.445 3.102 20 10 DGCDRO Cc1c(F)cccc1-c1noc(C[C@@H]([NH3+])c2ccccc2O)n1 ZINC001249338809 1105270316 /nfs/dbraw/zinc/27/03/16/1105270316.db2.gz DDWCDDLHMVSLGD-CQSZACIVSA-N 1 0 313.332 3.132 20 10 DGCDRO [NH3+][C@H](Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1O ZINC001249338779 1105270624 /nfs/dbraw/zinc/27/06/24/1105270624.db2.gz BNKOBRJKDDBUMZ-CYBMUJFWSA-N 1 0 315.760 3.338 20 10 DGCDRO [NH3+][C@H](Cc1nc(-c2cccc3ccoc32)no1)c1ccccc1O ZINC001249340050 1105271391 /nfs/dbraw/zinc/27/13/91/1105271391.db2.gz SHGHMKCOGFBGJM-CQSZACIVSA-N 1 0 321.336 3.431 20 10 DGCDRO CCOC(=O)CCCOc1ccc(C[N@H+](C)[C@@H](C)CC)c(O)c1 ZINC001249731029 1105368377 /nfs/dbraw/zinc/36/83/77/1105368377.db2.gz PCNGYWRGSKIKHV-AWEZNQCLSA-N 1 0 323.433 3.345 20 10 DGCDRO COC1CC[NH+](Cc2cc(C)c(Br)cc2O)CC1 ZINC001250120976 1105446148 /nfs/dbraw/zinc/44/61/48/1105446148.db2.gz WYPFBIVNWJZZFX-UHFFFAOYSA-N 1 0 314.223 3.074 20 10 DGCDRO CC[NH+]1CCN(c2ccc(-c3nc4ccccc4n3C)cc2)CC1 ZINC001250862005 1105596207 /nfs/dbraw/zinc/59/62/07/1105596207.db2.gz XZHWCZAEKANAFW-UHFFFAOYSA-N 1 0 320.440 3.382 20 10 DGCDRO CC(C)(C)C1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001255493275 1106258265 /nfs/dbraw/zinc/25/82/65/1106258265.db2.gz AXQBGAWEORQAOB-MQBCKMQZSA-N 1 0 307.434 3.326 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(C3CCCC3)C2)cc1 ZINC001256905926 1106508220 /nfs/dbraw/zinc/50/82/20/1106508220.db2.gz VZKRCSKPTWWFBM-KRWDZBQOSA-N 1 0 301.478 3.249 20 10 DGCDRO CCC[C@H](CC)[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001257266582 1106559408 /nfs/dbraw/zinc/55/94/08/1106559408.db2.gz PGOXHEDCMWSTGC-KRWDZBQOSA-N 1 0 320.477 3.413 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H](C)Cc3ccco3)CC2)cc1 ZINC001258184493 1106690675 /nfs/dbraw/zinc/69/06/75/1106690675.db2.gz CRMVYCKFISRSJP-HNNXBMFYSA-N 1 0 300.402 3.041 20 10 DGCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001258390075 1106726786 /nfs/dbraw/zinc/72/67/86/1106726786.db2.gz GZGFAIVCNBIUPN-CYBMUJFWSA-N 1 0 301.386 3.217 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC001320071581 1106841289 /nfs/dbraw/zinc/84/12/89/1106841289.db2.gz PYHFYCBSBQWKTB-LBPRGKRZSA-N 1 0 309.406 3.001 20 10 DGCDRO CCC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258649291 1106878920 /nfs/dbraw/zinc/87/89/20/1106878920.db2.gz ZACUILPFZZCEME-APWZRJJASA-N 1 0 315.413 3.132 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC001320118881 1106884882 /nfs/dbraw/zinc/88/48/82/1106884882.db2.gz SXJRVIJUUBIIFR-LBTNJELSSA-N 1 0 320.502 3.276 20 10 DGCDRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258741765 1106944421 /nfs/dbraw/zinc/94/44/21/1106944421.db2.gz MFBLWPRUQPLLFO-NSHDSACASA-N 1 0 319.788 3.155 20 10 DGCDRO CCCN1CCC([N@H+](CC)Cc2ccc(N(C)C)cc2)CC1 ZINC001258777422 1106969790 /nfs/dbraw/zinc/96/97/90/1106969790.db2.gz VEQSVMSIPZQFTN-UHFFFAOYSA-N 1 0 303.494 3.449 20 10 DGCDRO OCCCC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320886824 1107177565 /nfs/dbraw/zinc/17/75/65/1107177565.db2.gz WOHNPIKZSCSODF-UHFFFAOYSA-N 1 0 302.462 3.271 20 10 DGCDRO Cc1cc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1C(C)C ZINC001320931261 1107194351 /nfs/dbraw/zinc/19/43/51/1107194351.db2.gz VDENBDCYBWRKME-KRWDZBQOSA-N 1 0 302.462 3.494 20 10 DGCDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001321101277 1107250744 /nfs/dbraw/zinc/25/07/44/1107250744.db2.gz QRFLBRLSGNFSFO-HOTGVXAUSA-N 1 0 319.468 3.103 20 10 DGCDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321185253 1107276735 /nfs/dbraw/zinc/27/67/35/1107276735.db2.gz PZWRHAFKVUSIHC-NVXWUHKLSA-N 1 0 319.468 3.103 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)C)cc1C ZINC001317412654 1107332893 /nfs/dbraw/zinc/33/28/93/1107332893.db2.gz NUKSRDCXAVBXMS-CQSZACIVSA-N 1 0 306.450 3.034 20 10 DGCDRO Cn1ncc2ccc(C[NH2+]Cc3ccc(N4CCCC4)cc3)cc21 ZINC001261213282 1107362201 /nfs/dbraw/zinc/36/22/01/1107362201.db2.gz DQFNSLRVVZTSKT-UHFFFAOYSA-N 1 0 320.440 3.463 20 10 DGCDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001261461489 1107441093 /nfs/dbraw/zinc/44/10/93/1107441093.db2.gz NGAPKLWSOZHJPH-AWEZNQCLSA-N 1 0 313.445 3.130 20 10 DGCDRO C[C@@H](CO)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001261509645 1107456118 /nfs/dbraw/zinc/45/61/18/1107456118.db2.gz YPLNBEXVTHEFBK-INIZCTEOSA-N 1 0 302.462 3.127 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC001261559659 1107465173 /nfs/dbraw/zinc/46/51/73/1107465173.db2.gz VFPFZZRWSXDZHQ-OAHLLOKOSA-N 1 0 313.445 3.143 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC001321942996 1107468551 /nfs/dbraw/zinc/46/85/51/1107468551.db2.gz DQUVYWOWOJYUJA-OALUTQOASA-N 1 0 300.446 3.430 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001262012424 1107574031 /nfs/dbraw/zinc/57/40/31/1107574031.db2.gz VXEVLWLUMDOKHX-IAGOWNOFSA-N 1 0 302.487 3.472 20 10 DGCDRO CCc1cccc(C[NH+]2CCC(Nc3ccccn3)CC2)c1O ZINC001262374634 1107703239 /nfs/dbraw/zinc/70/32/39/1107703239.db2.gz LFUQKYBLISNANL-UHFFFAOYSA-N 1 0 311.429 3.426 20 10 DGCDRO C[C@@H]1CCN(Cc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000382664936 1108159151 /nfs/dbraw/zinc/15/91/51/1108159151.db2.gz LNFLCYNSIPQIFT-QGZVFWFLSA-N 1 0 309.457 3.365 20 10 DGCDRO CCCC[N@H+](CC)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324702438 1108433056 /nfs/dbraw/zinc/43/30/56/1108433056.db2.gz YMEIZOYJXSARIB-UHFFFAOYSA-N 1 0 307.457 3.200 20 10 DGCDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001324745704 1108449664 /nfs/dbraw/zinc/44/96/64/1108449664.db2.gz FAKPBHBRIYQZLQ-APWZRJJASA-N 1 0 301.478 3.201 20 10 DGCDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001324976944 1108547320 /nfs/dbraw/zinc/54/73/20/1108547320.db2.gz UKMVBEDRTVUMKV-TZMCWYRMSA-N 1 0 316.367 3.429 20 10 DGCDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001325131827 1108581415 /nfs/dbraw/zinc/58/14/15/1108581415.db2.gz IVHFNIFKZFFWGV-GOSISDBHSA-N 1 0 302.462 3.270 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1F ZINC001319814292 1108648440 /nfs/dbraw/zinc/64/84/40/1108648440.db2.gz AMRRDHFWCTZDEP-KRWDZBQOSA-N 1 0 319.468 3.342 20 10 DGCDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001319828787 1108654214 /nfs/dbraw/zinc/65/42/14/1108654214.db2.gz NACDEQGARIKQRX-LJQANCHMSA-N 1 0 315.505 3.451 20 10 DGCDRO c1cc(N2CCCC2)ccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC001319933534 1108699538 /nfs/dbraw/zinc/69/95/38/1108699538.db2.gz VDRNKBXEKVBQHN-FQEVSTJZSA-N 1 0 313.489 3.347 20 10 DGCDRO CC/C(C)=C\C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265536958 1108902746 /nfs/dbraw/zinc/90/27/46/1108902746.db2.gz GQGXIOLVEAOELG-AFDHCVITSA-N 1 0 316.445 3.097 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC(c3cncn3C)CC2)cc1 ZINC001308167184 1111388909 /nfs/dbraw/zinc/38/89/09/1111388909.db2.gz OCLCZZVYVDRZQQ-UHFFFAOYSA-N 1 0 312.461 3.256 20 10 DGCDRO CC1CC[NH+](CCC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001308184296 1111392746 /nfs/dbraw/zinc/39/27/46/1111392746.db2.gz DVMOXUMKYBQUOQ-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO COc1cc(C[NH2+]CC[C@@H](O)C(C)C)c(O)c(C(C)(C)C)c1 ZINC001308273633 1111408537 /nfs/dbraw/zinc/40/85/37/1111408537.db2.gz BYGBYROCNJREKC-MRXNPFEDSA-N 1 0 309.450 3.195 20 10 DGCDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308292086 1111412169 /nfs/dbraw/zinc/41/21/69/1111412169.db2.gz ICOFUGNKUBQTGD-CRAIPNDOSA-N 1 0 308.441 3.433 20 10 DGCDRO c1cc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)cc2c1OCC2 ZINC001308479881 1111433746 /nfs/dbraw/zinc/43/37/46/1111433746.db2.gz PSCOTCYMZJPASS-SFHVURJKSA-N 1 0 301.430 3.451 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2Cc3ccccc3NC2=O)cc1C ZINC001308488955 1111434252 /nfs/dbraw/zinc/43/42/52/1111434252.db2.gz TZYPTQBIDRISGL-GOSISDBHSA-N 1 0 324.424 3.437 20 10 DGCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Cl)cc1O ZINC001308684128 1111460518 /nfs/dbraw/zinc/46/05/18/1111460518.db2.gz CMXPOQZOOJUGPX-JTQLQIEISA-N 1 0 314.813 3.048 20 10 DGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2c(C)cc(OC)cc2O)cc1 ZINC001308755496 1111471274 /nfs/dbraw/zinc/47/12/74/1111471274.db2.gz HBFVXDHIXPUKIA-LJQANCHMSA-N 1 0 315.413 3.095 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1Cl ZINC001308894626 1111490064 /nfs/dbraw/zinc/49/00/64/1111490064.db2.gz QOMDMXMAVURPKK-OAHLLOKOSA-N 1 0 308.853 3.461 20 10 DGCDRO COC(=O)C1CC([NH2+]Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001308898506 1111490843 /nfs/dbraw/zinc/49/08/43/1111490843.db2.gz VNGRUXKVESTKRU-UHFFFAOYSA-N 1 0 312.413 3.135 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001308979149 1111503949 /nfs/dbraw/zinc/50/39/49/1111503949.db2.gz LVVJLEUMQXMKHY-SHTZXODSSA-N 1 0 320.433 3.100 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1ccc(N(C)C)cc1 ZINC000370670817 529661279 /nfs/dbraw/zinc/66/12/79/529661279.db2.gz HRHMBYIJZCFJKX-MJGOQNOKSA-N 1 0 324.472 3.449 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000296140449 530010088 /nfs/dbraw/zinc/01/00/88/530010088.db2.gz VDSVMZVOBCEDAG-GOSISDBHSA-N 1 0 316.470 3.245 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCCSC1 ZINC000165244239 432054869 /nfs/dbraw/zinc/05/48/69/432054869.db2.gz HOFWGDUXBKZYHO-NSHDSACASA-N 1 0 302.237 3.140 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000179433405 432058130 /nfs/dbraw/zinc/05/81/30/432058130.db2.gz IXEIWZVULBBZQG-NSHDSACASA-N 1 0 319.323 3.184 20 10 DGCDRO CC[NH+](CC)Cc1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000236928626 202077352 /nfs/dbraw/zinc/07/73/52/202077352.db2.gz RIOVBCAHOLWTBI-UHFFFAOYSA-N 1 0 311.429 3.292 20 10 DGCDRO CCOCc1ccccc1C[NH2+]Cc1cccc(OC)c1O ZINC000236990478 202110726 /nfs/dbraw/zinc/11/07/26/202110726.db2.gz ZPFVIPBIMUXYPF-UHFFFAOYSA-N 1 0 301.386 3.227 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000166606404 432062379 /nfs/dbraw/zinc/06/23/79/432062379.db2.gz DCUIXZLUPVLNKX-SLFFLAALSA-N 1 0 310.441 3.452 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC(OCCC(C)C)CC2)c1 ZINC000179783141 432070341 /nfs/dbraw/zinc/07/03/41/432070341.db2.gz HIQPFVBONAQUJH-UHFFFAOYSA-N 1 0 307.434 3.428 20 10 DGCDRO COC(=O)c1oc([C@H](C)[N@H+](C)Cc2ccccc2O)cc1C ZINC000091619335 193079429 /nfs/dbraw/zinc/07/94/29/193079429.db2.gz MPAUFGJRZFIUCB-LBPRGKRZSA-N 1 0 303.358 3.273 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611680 193273744 /nfs/dbraw/zinc/27/37/44/193273744.db2.gz XDJZKMZLQSNQFT-OAHLLOKOSA-N 1 0 311.303 3.045 20 10 DGCDRO Oc1ccccc1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000014966718 181978363 /nfs/dbraw/zinc/97/83/63/181978363.db2.gz SSTXMWYCLCWGFL-HNNXBMFYSA-N 1 0 311.303 3.234 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000019963691 182171055 /nfs/dbraw/zinc/17/10/55/182171055.db2.gz VOHFTGKOOKSNFN-YPMHNXCESA-N 1 0 314.223 3.374 20 10 DGCDRO COc1cccc(C[NH2+]CCCN(C)c2ccccc2)c1O ZINC000020826789 182247750 /nfs/dbraw/zinc/24/77/50/182247750.db2.gz MHYPXPDTLUNSPO-UHFFFAOYSA-N 1 0 300.402 3.017 20 10 DGCDRO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(N(C)C)cc1 ZINC000268818314 432140846 /nfs/dbraw/zinc/14/08/46/432140846.db2.gz QTHVSNQRNQVXHM-GFCCVEGCSA-N 1 0 300.431 3.313 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000268914888 432145885 /nfs/dbraw/zinc/14/58/85/432145885.db2.gz NPQCMJWNMMXVBM-LIRRHRJNSA-N 1 0 314.429 3.145 20 10 DGCDRO C[C@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268973920 432148197 /nfs/dbraw/zinc/14/81/97/432148197.db2.gz ZVVXALMBPPRVOV-HUUCEWRRSA-N 1 0 308.441 3.485 20 10 DGCDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269029839 432150083 /nfs/dbraw/zinc/15/00/83/432150083.db2.gz RXXPZEXEFPNKIJ-RVKKMQEKSA-N 1 0 322.518 3.440 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000105448196 194104292 /nfs/dbraw/zinc/10/42/92/194104292.db2.gz JMCONYBQSHLWTG-UHFFFAOYSA-N 1 0 316.357 3.031 20 10 DGCDRO Cc1cc(C[NH+]2CCC3(CCOCC3)CC2)ccc1N(C)C ZINC000294242834 291888402 /nfs/dbraw/zinc/88/84/02/291888402.db2.gz UEPQKIHUTZKFAH-UHFFFAOYSA-N 1 0 302.462 3.454 20 10 DGCDRO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc2ccccc2c1O ZINC000183845624 533474337 /nfs/dbraw/zinc/47/43/37/533474337.db2.gz FFFQKBUUTBGKCN-CYBMUJFWSA-N 1 0 322.412 3.324 20 10 DGCDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000271534983 129930573 /nfs/dbraw/zinc/93/05/73/129930573.db2.gz SLKVFRGTBFXOKU-XCGNWRKASA-N 1 0 322.518 3.485 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1cc(Br)ccc1O ZINC000273299352 130104880 /nfs/dbraw/zinc/10/48/80/130104880.db2.gz AYIBWQMUCMQIKO-CMPLNLGQSA-N 1 0 314.223 3.374 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cc(Br)ccc1O ZINC000273299360 130105326 /nfs/dbraw/zinc/10/53/26/130105326.db2.gz AYIBWQMUCMQIKO-ZYHUDNBSSA-N 1 0 314.223 3.374 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2cnc3ccccc32)c1 ZINC000273396615 130115487 /nfs/dbraw/zinc/11/54/87/130115487.db2.gz MBWJYPXMAIDUQZ-CYBMUJFWSA-N 1 0 311.385 3.101 20 10 DGCDRO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000273542178 130133600 /nfs/dbraw/zinc/13/36/00/130133600.db2.gz YPKKJHVBSZNZBR-VXGBXAGGSA-N 1 0 314.433 3.363 20 10 DGCDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273539488 130133805 /nfs/dbraw/zinc/13/38/05/130133805.db2.gz XYRJDTLQTLFTTE-SECBINFHSA-N 1 0 310.195 3.037 20 10 DGCDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273530767 130134241 /nfs/dbraw/zinc/13/42/41/130134241.db2.gz WECUMMXSFVSHDG-ZUZCIYMTSA-N 1 0 317.351 3.235 20 10 DGCDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273546724 130135274 /nfs/dbraw/zinc/13/52/74/130135274.db2.gz ZNBIJEBFZBRNFC-QWRGUYRKSA-N 1 0 316.239 3.214 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c(O)c1C ZINC000273621549 130145606 /nfs/dbraw/zinc/14/56/06/130145606.db2.gz ZFKHCPDBBUVTBI-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CCC(CCCO)CC2)c1O ZINC000273718838 130157417 /nfs/dbraw/zinc/15/74/17/130157417.db2.gz HVQXTUQARUBJBM-UHFFFAOYSA-N 1 0 313.825 3.039 20 10 DGCDRO O=C1OCC[C@]12CCC[N@H+]2Cc1cc(-c2ccccc2)ccc1O ZINC000275155241 130296287 /nfs/dbraw/zinc/29/62/87/130296287.db2.gz VJZINCXWTMFZQT-HXUWFJFHSA-N 1 0 323.392 3.341 20 10 DGCDRO COc1ccc([C@@H](CN(C)C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000284241346 131062257 /nfs/dbraw/zinc/06/22/57/131062257.db2.gz FCOVWOLSLLVQHB-KBXCAEBGSA-N 1 0 314.429 3.354 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)n(C)n1 ZINC000284263372 131065365 /nfs/dbraw/zinc/06/53/65/131065365.db2.gz JAAWYFWETMXJDD-SNVBAGLBSA-N 1 0 324.222 3.047 20 10 DGCDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000284438827 131080803 /nfs/dbraw/zinc/08/08/03/131080803.db2.gz RUOQMQQFHLUYRB-QGZVFWFLSA-N 1 0 306.425 3.065 20 10 DGCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000285112289 131139398 /nfs/dbraw/zinc/13/93/98/131139398.db2.gz NMMNAZPASUZRTR-GOSISDBHSA-N 1 0 314.429 3.102 20 10 DGCDRO CCOC1CC(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000285519788 131176707 /nfs/dbraw/zinc/17/67/07/131176707.db2.gz GIYZHSVJNZEUNJ-NXYGQSRBSA-N 1 0 319.445 3.188 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1c(F)cncc1F ZINC000285724448 131196017 /nfs/dbraw/zinc/19/60/17/131196017.db2.gz QIDGRCZPAVYUMX-DTWKUNHWSA-N 1 0 323.299 3.385 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1O ZINC000288432198 131325247 /nfs/dbraw/zinc/32/52/47/131325247.db2.gz BROYTQPRAUTNDQ-CXAGYDPISA-N 1 0 301.386 3.003 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1O ZINC000288481053 131327503 /nfs/dbraw/zinc/32/75/03/131327503.db2.gz PVMYIDQXRKTEER-HNNXBMFYSA-N 1 0 321.804 3.268 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(OCC3CC3)nc1)CC2 ZINC000297958186 132042100 /nfs/dbraw/zinc/04/21/00/132042100.db2.gz ZDNPQASEVGXUJH-MRXNPFEDSA-N 1 0 310.397 3.353 20 10 DGCDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093482181 400247458 /nfs/dbraw/zinc/24/74/58/400247458.db2.gz HOWHNLDGQNAIKW-APWZRJJASA-N 1 0 302.462 3.412 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]CC[C@H]1CCCCO1 ZINC000227339107 685117923 /nfs/dbraw/zinc/11/79/23/685117923.db2.gz STJCPUHOGQVGGJ-CYBMUJFWSA-N 1 0 314.223 3.204 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc(Br)cn2)c(O)c1 ZINC000382464425 685164641 /nfs/dbraw/zinc/16/46/41/685164641.db2.gz ZHSILMWKCUSJAN-LLVKDONJSA-N 1 0 324.222 3.010 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(CO)c1 ZINC000270428934 432245388 /nfs/dbraw/zinc/24/53/88/432245388.db2.gz HOBHQCMVAYJKGA-OAHLLOKOSA-N 1 0 310.441 3.412 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1F ZINC000297933932 276883650 /nfs/dbraw/zinc/88/36/50/276883650.db2.gz XURNRVOWNALXOS-OAHLLOKOSA-N 1 0 300.377 3.374 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CSC[C@H]3C)CC2)cc1 ZINC000367705417 277909004 /nfs/dbraw/zinc/90/90/04/277909004.db2.gz HAHDVBYEUZEGEY-DYVFJYSZSA-N 1 0 306.475 3.005 20 10 DGCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N(C)C)cc1 ZINC000134785990 278278639 /nfs/dbraw/zinc/27/86/39/278278639.db2.gz IXLYGSTUUNFSQQ-RUGDWHBFSA-N 1 0 300.446 3.361 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1O ZINC000364345482 288066964 /nfs/dbraw/zinc/06/69/64/288066964.db2.gz DCXLYIHURGBLGO-RCCFBDPRSA-N 1 0 318.461 3.076 20 10 DGCDRO Cc1ncc(/C=C/C(=O)N(CC[NH+](C)C)c2ccccc2)s1 ZINC000112241043 431258323 /nfs/dbraw/zinc/25/83/23/431258323.db2.gz MSFDLGKZMZRIHR-MDZDMXLPSA-N 1 0 315.442 3.060 20 10 DGCDRO Cc1noc(C)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070975947 431265350 /nfs/dbraw/zinc/26/53/50/431265350.db2.gz VHFHHIVDCDEVJA-INIZCTEOSA-N 1 0 316.401 3.178 20 10 DGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000113326191 431342740 /nfs/dbraw/zinc/34/27/40/431342740.db2.gz ICCJATXAFWVVCK-SFHVURJKSA-N 1 0 302.393 3.023 20 10 DGCDRO CC(C)OCCC[NH2+]Cc1cc(Br)ccc1O ZINC000076275398 431536327 /nfs/dbraw/zinc/53/63/27/431536327.db2.gz SPBMESDNLVFEML-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccccc1O ZINC000121142900 431746461 /nfs/dbraw/zinc/74/64/61/431746461.db2.gz CNAHBKXCZZYZET-QLFBSQMISA-N 1 0 304.434 3.002 20 10 DGCDRO CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1cc(Br)ccc1O ZINC000038011172 431853390 /nfs/dbraw/zinc/85/33/90/431853390.db2.gz CDNPEIJNMYIIED-CYBMUJFWSA-N 1 0 324.222 3.427 20 10 DGCDRO CCOc1cccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000093660020 431916989 /nfs/dbraw/zinc/91/69/89/431916989.db2.gz URMYIELZQDNIMF-INIZCTEOSA-N 1 0 306.450 3.097 20 10 DGCDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000093863963 431918118 /nfs/dbraw/zinc/91/81/18/431918118.db2.gz YONDUBUVRRJRLI-OAHLLOKOSA-N 1 0 315.417 3.034 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000270676038 432275733 /nfs/dbraw/zinc/27/57/33/432275733.db2.gz RNSJCRSJBMWSEW-ZBFHGGJFSA-N 1 0 307.434 3.474 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000270676037 432275964 /nfs/dbraw/zinc/27/59/64/432275964.db2.gz RNSJCRSJBMWSEW-HOCLYGCPSA-N 1 0 307.434 3.474 20 10 DGCDRO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccccc1O ZINC000183330155 432282984 /nfs/dbraw/zinc/28/29/84/432282984.db2.gz COZBTXDJQYXLFH-QGZVFWFLSA-N 1 0 312.413 3.092 20 10 DGCDRO CCOC(=O)N[C@H](C[NH2+][C@H](C)c1ccccc1O)CC(C)C ZINC000183401350 432289580 /nfs/dbraw/zinc/28/95/80/432289580.db2.gz FXDTXTDKCHUVSC-KGLIPLIRSA-N 1 0 308.422 3.204 20 10 DGCDRO Cc1nccn1CC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000270841281 432295564 /nfs/dbraw/zinc/29/55/64/432295564.db2.gz NTQXPGONRZOILW-UHFFFAOYSA-N 1 0 312.461 3.314 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(O)c1 ZINC000271210117 432355483 /nfs/dbraw/zinc/35/54/83/432355483.db2.gz UEOLBHNXZRYZMN-LPHOPBHVSA-N 1 0 319.445 3.308 20 10 DGCDRO CC(=O)N1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000271173738 432342699 /nfs/dbraw/zinc/34/26/99/432342699.db2.gz IRRZOYMYPLZWHQ-OAHLLOKOSA-N 1 0 324.424 3.112 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)c2ccco2)cc1 ZINC000174529917 432354025 /nfs/dbraw/zinc/35/40/25/432354025.db2.gz DTTOPBWGCBYTGM-SFHVURJKSA-N 1 0 302.418 3.123 20 10 DGCDRO C[C@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1ccccc1O ZINC000183601404 432307709 /nfs/dbraw/zinc/30/77/09/432307709.db2.gz YBNFWXJWNHVIRD-HNNXBMFYSA-N 1 0 324.424 3.412 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)cc1 ZINC000271491092 432407420 /nfs/dbraw/zinc/40/74/20/432407420.db2.gz KUBCALNAESEEDC-SMDDNHRTSA-N 1 0 304.356 3.107 20 10 DGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000184255028 432370962 /nfs/dbraw/zinc/37/09/62/432370962.db2.gz MWIQWPKGCUKUIW-UHFFFAOYSA-N 1 0 309.413 3.081 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1 ZINC000192940849 432433014 /nfs/dbraw/zinc/43/30/14/432433014.db2.gz FSJUNPIHUIHQTM-IUODEOHRSA-N 1 0 320.458 3.416 20 10 DGCDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000271539102 432418186 /nfs/dbraw/zinc/41/81/86/432418186.db2.gz PFHBEBZOBYJCCA-ACJLOTCBSA-N 1 0 301.386 3.267 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1O ZINC000271713673 432422673 /nfs/dbraw/zinc/42/26/73/432422673.db2.gz OTTVJHXODNGPFM-WMLDXEAASA-N 1 0 319.376 3.012 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1O ZINC000184711862 432424409 /nfs/dbraw/zinc/42/44/09/432424409.db2.gz CUXQQIHPRKUCMR-FZMZJTMJSA-N 1 0 313.825 3.037 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c(O)c1 ZINC000271805893 432425230 /nfs/dbraw/zinc/42/52/30/432425230.db2.gz JWGZKRFTACSRRF-HNNXBMFYSA-N 1 0 321.461 3.459 20 10 DGCDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185148354 432471737 /nfs/dbraw/zinc/47/17/37/432471737.db2.gz PQKDAEMJLVZWSY-UWVGGRQHSA-N 1 0 302.212 3.088 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185155161 432471894 /nfs/dbraw/zinc/47/18/94/432471894.db2.gz OHRKERBNBXGFNW-KBPBESRZSA-N 1 0 318.461 3.226 20 10 DGCDRO COC[C@@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185148389 432471901 /nfs/dbraw/zinc/47/19/01/432471901.db2.gz PQKDAEMJLVZWSY-VHSXEESVSA-N 1 0 302.212 3.088 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000185291156 432487639 /nfs/dbraw/zinc/48/76/39/432487639.db2.gz WQEDZWUUXABZNS-LBPRGKRZSA-N 1 0 316.367 3.378 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185418908 432499424 /nfs/dbraw/zinc/49/94/24/432499424.db2.gz BQQCPPQKMLJQLE-SCLBCKFNSA-N 1 0 301.386 3.093 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c(O)c1 ZINC000185079405 432463371 /nfs/dbraw/zinc/46/33/71/432463371.db2.gz FLFIJIMGXOXSLS-HNNXBMFYSA-N 1 0 312.413 3.010 20 10 DGCDRO COCCOCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000154011628 432465369 /nfs/dbraw/zinc/46/53/69/432465369.db2.gz WSDCERBCWFBMGI-QGZVFWFLSA-N 1 0 320.477 3.381 20 10 DGCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185129833 432469944 /nfs/dbraw/zinc/46/99/44/432469944.db2.gz VXDPZPWAFMSLNX-CVEARBPZSA-N 1 0 315.413 3.100 20 10 DGCDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1=O ZINC000186048133 432553972 /nfs/dbraw/zinc/55/39/72/432553972.db2.gz NINODEFMXMBVNH-GUYCJALGSA-N 1 0 312.413 3.205 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccccc1O ZINC000186097522 432557387 /nfs/dbraw/zinc/55/73/87/432557387.db2.gz JIZSCQXDBJOFEL-SFHVURJKSA-N 1 0 322.412 3.273 20 10 DGCDRO CC[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccccc1O ZINC000155504103 432557693 /nfs/dbraw/zinc/55/76/93/432557693.db2.gz FCHFCVQNFZRVNF-MRXNPFEDSA-N 1 0 304.434 3.226 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ncccc2Cl)c1 ZINC000186107091 432559217 /nfs/dbraw/zinc/55/92/17/432559217.db2.gz IMGYEBZSFDMZRM-LLVKDONJSA-N 1 0 322.792 3.179 20 10 DGCDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185676607 432522293 /nfs/dbraw/zinc/52/22/93/432522293.db2.gz LWEMJNRCXQATNL-MNOVXSKESA-N 1 0 316.239 3.214 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H](OC)C(C)(C)C)CC2)cc1 ZINC000154941926 432530293 /nfs/dbraw/zinc/53/02/93/432530293.db2.gz GUANQMPPGQLZNA-SFHVURJKSA-N 1 0 320.477 3.315 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c(O)c1 ZINC000185813067 432534634 /nfs/dbraw/zinc/53/46/34/432534634.db2.gz PCDJLYRPXNXEBR-PBHICJAKSA-N 1 0 310.397 3.157 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccccc1O ZINC000155246462 432545764 /nfs/dbraw/zinc/54/57/64/432545764.db2.gz UDRXEWFWOYHMRW-INIZCTEOSA-N 1 0 304.434 3.272 20 10 DGCDRO C[C@H]([NH2+]CCN1CCSCC1)c1ccc2ccccc2c1O ZINC000273567837 432613225 /nfs/dbraw/zinc/61/32/25/432613225.db2.gz JWOCFKOIFAGQPI-AWEZNQCLSA-N 1 0 316.470 3.245 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000186618556 432615310 /nfs/dbraw/zinc/61/53/10/432615310.db2.gz QODBDPBSGBQXJJ-ZDUSSCGKSA-N 1 0 315.413 3.479 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186177207 432566812 /nfs/dbraw/zinc/56/68/12/432566812.db2.gz WCOIGHHODUIPQX-NSHDSACASA-N 1 0 305.397 3.240 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1 ZINC000186230502 432570589 /nfs/dbraw/zinc/57/05/89/432570589.db2.gz XEXBUMUVUQKTHV-DZGCQCFKSA-N 1 0 321.417 3.127 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000186456392 432596958 /nfs/dbraw/zinc/59/69/58/432596958.db2.gz UQKUQMBIUXFFSH-LIRRHRJNSA-N 1 0 314.429 3.182 20 10 DGCDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186510101 432601579 /nfs/dbraw/zinc/60/15/79/432601579.db2.gz VLFYEHOPFGMVLU-ISBNUJHVSA-N 1 0 314.223 3.132 20 10 DGCDRO Cc1cccc(CN2CCSC[C@@H]2c2nccs2)c1O ZINC000186666193 432619335 /nfs/dbraw/zinc/61/93/35/432619335.db2.gz KEYNFXUKQCBLCQ-CYBMUJFWSA-N 1 0 306.456 3.447 20 10 DGCDRO COCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000186912482 432636505 /nfs/dbraw/zinc/63/65/05/432636505.db2.gz YAWWLVFRKQCKPI-SNVBAGLBSA-N 1 0 302.212 3.150 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)cc1OC ZINC000274325329 432651845 /nfs/dbraw/zinc/65/18/45/432651845.db2.gz DQZOZBWFXOQXLW-IRXDYDNUSA-N 1 0 323.433 3.091 20 10 DGCDRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000219216766 432661847 /nfs/dbraw/zinc/66/18/47/432661847.db2.gz ITUDBURAHQPECU-UHFFFAOYSA-N 1 0 320.433 3.318 20 10 DGCDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215591 432725046 /nfs/dbraw/zinc/72/50/46/432725046.db2.gz BTQBJKINLQTVMY-YLJYHZDGSA-N 1 0 315.505 3.449 20 10 DGCDRO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000187760571 432682977 /nfs/dbraw/zinc/68/29/77/432682977.db2.gz LPLOIFAUGPGVDV-SFHVURJKSA-N 1 0 310.445 3.261 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[C@H](O)CC1 ZINC000275914858 432760225 /nfs/dbraw/zinc/76/02/25/432760225.db2.gz FTOVDLOCLMHCQX-UAPYVXQJSA-N 1 0 302.462 3.412 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCCOCC3CC3)CC2)cc1 ZINC000162869940 432836243 /nfs/dbraw/zinc/83/62/43/432836243.db2.gz VYADDYRDOSNMLE-UHFFFAOYSA-N 1 0 318.461 3.070 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(Br)cc1O ZINC000296631630 432924428 /nfs/dbraw/zinc/92/44/28/432924428.db2.gz BKGKROMZOPLFJZ-WDEREUQCSA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc([S@@](C)=O)cc1 ZINC000296687921 432925049 /nfs/dbraw/zinc/92/50/49/432925049.db2.gz HABPPUIKYWXPSW-KFVPTDEHSA-N 1 0 315.438 3.468 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)c(O)c1 ZINC000278562957 432897238 /nfs/dbraw/zinc/89/72/38/432897238.db2.gz WVBLIIAELOTYKH-JTQLQIEISA-N 1 0 309.303 3.268 20 10 DGCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)OCCc2sccc21 ZINC000289781549 432974400 /nfs/dbraw/zinc/97/44/00/432974400.db2.gz KLTWPWZAXARQKM-GOSISDBHSA-N 1 0 315.438 3.261 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000290114883 432994830 /nfs/dbraw/zinc/99/48/30/432994830.db2.gz ILNKAEPUCPBFNX-INIZCTEOSA-N 1 0 321.804 3.268 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC2(OC)CCC(C)CC2)cc1OC ZINC000279866924 432998216 /nfs/dbraw/zinc/99/82/16/432998216.db2.gz SZEZVDXGOQQYJM-UHFFFAOYSA-N 1 0 323.433 3.094 20 10 DGCDRO CC[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)OC ZINC000290184479 433009198 /nfs/dbraw/zinc/00/91/98/433009198.db2.gz NTZHRQCVXZWCEX-GXSJLCMTSA-N 1 0 302.212 3.230 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1ccc(C)cc1O ZINC000280258184 433024236 /nfs/dbraw/zinc/02/42/36/433024236.db2.gz XASFRAAAKFZJOR-INIZCTEOSA-N 1 0 313.401 3.295 20 10 DGCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297867027 433025974 /nfs/dbraw/zinc/02/59/74/433025974.db2.gz ULOIXQVABVBJRO-MBIULKOWSA-N 1 0 307.459 3.049 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c(OC)n1 ZINC000290275065 433026290 /nfs/dbraw/zinc/02/62/90/433026290.db2.gz WOGQLSPHPMLFPJ-CYBMUJFWSA-N 1 0 316.401 3.272 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H](O)c1ccc(F)cc1 ZINC000297909329 433031189 /nfs/dbraw/zinc/03/11/89/433031189.db2.gz WPBWQKXIZKDYIH-POHZPAGDSA-N 1 0 301.361 3.230 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c(O)c1C ZINC000290490633 433065707 /nfs/dbraw/zinc/06/57/07/433065707.db2.gz XTTPYHWLMVXZOC-CRFBAAHOSA-N 1 0 313.397 3.154 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCCCOC(C)C)CC2)cc1 ZINC000373287050 433148108 /nfs/dbraw/zinc/14/81/08/433148108.db2.gz UJNNTEOXVHVLQD-UHFFFAOYSA-N 1 0 320.477 3.459 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000290826777 433182240 /nfs/dbraw/zinc/18/22/40/433182240.db2.gz HERMFQUSRCMAAU-ZWKOTPCHSA-N 1 0 317.429 3.324 20 10 DGCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc2ccccc2c1O ZINC000280884224 433210683 /nfs/dbraw/zinc/21/06/83/433210683.db2.gz BAYHGTWHYJYDGC-DMZKTXOQSA-N 1 0 317.454 3.497 20 10 DGCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000280874135 433206765 /nfs/dbraw/zinc/20/67/65/433206765.db2.gz AKRGKDLLYNGSLY-WHEQGISXSA-N 1 0 321.486 3.223 20 10 DGCDRO Cc1cccc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1O ZINC000281133938 433265846 /nfs/dbraw/zinc/26/58/46/433265846.db2.gz NSALAJOHZOBCNA-KRWDZBQOSA-N 1 0 324.424 3.186 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000291717042 433325507 /nfs/dbraw/zinc/32/55/07/433325507.db2.gz MDDDJBDNKJKCMO-HNNXBMFYSA-N 1 0 300.377 3.208 20 10 DGCDRO C[S@](=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000282188352 433525581 /nfs/dbraw/zinc/52/55/81/433525581.db2.gz BUNVIJJERHBYGF-QFIPXVFZSA-N 1 0 315.438 3.060 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)CC(F)(F)F ZINC000282346010 433574237 /nfs/dbraw/zinc/57/42/37/433574237.db2.gz CFKZVYNOWPCJRK-CYBMUJFWSA-N 1 0 305.340 3.308 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1OCCc2sccc21 ZINC000292695944 433588028 /nfs/dbraw/zinc/58/80/28/433588028.db2.gz BTVQPWWLCWKPCQ-MGPLVRAMSA-N 1 0 307.390 3.385 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)C[C@H](C)O)CC2)cc1 ZINC000362304794 433632782 /nfs/dbraw/zinc/63/27/82/433632782.db2.gz QTQSXDMAKVKZCG-HNNXBMFYSA-N 1 0 320.477 3.051 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCc2nccnc2C)cc1F ZINC000293185624 433644925 /nfs/dbraw/zinc/64/49/25/433644925.db2.gz WWMANKZAGUKJCH-UHFFFAOYSA-N 1 0 316.424 3.103 20 10 DGCDRO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293657438 433821795 /nfs/dbraw/zinc/82/17/95/433821795.db2.gz LTCPZEOSSZEXSY-AWEZNQCLSA-N 1 0 318.392 3.415 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000377058312 433847350 /nfs/dbraw/zinc/84/73/50/433847350.db2.gz WABITVSAVDXUHU-QGZVFWFLSA-N 1 0 316.445 3.148 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(C)cc1O ZINC000377580359 433918845 /nfs/dbraw/zinc/91/88/45/433918845.db2.gz BPLNGMKORGTFRJ-FRQCXROJSA-N 1 0 313.397 3.236 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1 ZINC000294147409 434014092 /nfs/dbraw/zinc/01/40/92/434014092.db2.gz VFFPZHXLXJMTDE-GOSISDBHSA-N 1 0 307.434 3.021 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000377836164 434015145 /nfs/dbraw/zinc/01/51/45/434015145.db2.gz ZGRTZDRQUNOPCC-GJZGRUSLSA-N 1 0 305.418 3.039 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c(OC)n1 ZINC000294352881 434098224 /nfs/dbraw/zinc/09/82/24/434098224.db2.gz PZBBWTZBPUMFFC-ZDUSSCGKSA-N 1 0 316.401 3.272 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1 ZINC000294704962 434128832 /nfs/dbraw/zinc/12/88/32/434128832.db2.gz DGVYEELBDNZBRS-GOSISDBHSA-N 1 0 315.413 3.138 20 10 DGCDRO COc1cccc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1O ZINC000295008356 434160325 /nfs/dbraw/zinc/16/03/25/434160325.db2.gz JDIAIIDZZISAFJ-OAHLLOKOSA-N 1 0 321.804 3.220 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(C)(C)O ZINC000295100893 434202037 /nfs/dbraw/zinc/20/20/37/434202037.db2.gz VZHKWNUCRUNTDR-NOZJJQNGSA-N 1 0 316.239 3.355 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccccc1O ZINC000295105750 434203686 /nfs/dbraw/zinc/20/36/86/434203686.db2.gz KZIZMQCHZODWBQ-DOTOQJQBSA-N 1 0 303.377 3.176 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]Cc1cc(C3CC3)ccc1F)OCO2 ZINC000295160737 434231551 /nfs/dbraw/zinc/23/15/51/434231551.db2.gz SFXVHRQOBXEDMK-UHFFFAOYSA-N 1 0 315.344 3.427 20 10 DGCDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccsc1 ZINC000295912029 434444582 /nfs/dbraw/zinc/44/45/82/434444582.db2.gz JFZFPAGGKSMWDZ-HUUCEWRRSA-N 1 0 302.443 3.334 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000295804957 434436323 /nfs/dbraw/zinc/43/63/23/434436323.db2.gz CKNCQTPLLAZKIB-GOSISDBHSA-N 1 0 324.424 3.006 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O ZINC000367687362 434554631 /nfs/dbraw/zinc/55/46/31/434554631.db2.gz QJOVPEISUHOHCS-GJZGRUSLSA-N 1 0 305.418 3.039 20 10 DGCDRO COc1cc(Cl)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000368043823 434566700 /nfs/dbraw/zinc/56/67/00/434566700.db2.gz QDXOWTXZNOJXMU-DOMZBBRYSA-N 1 0 324.852 3.113 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1O ZINC000368624031 434580648 /nfs/dbraw/zinc/58/06/48/434580648.db2.gz KTXOMHKFMCGBPH-HNNXBMFYSA-N 1 0 324.852 3.114 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(N(C)C)cc1 ZINC000370670001 434615567 /nfs/dbraw/zinc/61/55/67/434615567.db2.gz UPENJIGDRSYCHO-HNNXBMFYSA-N 1 0 321.428 3.184 20 10 DGCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C2 ZINC000370671187 434616055 /nfs/dbraw/zinc/61/60/55/434616055.db2.gz OFBSIWGFCBOHFC-CXAGYDPISA-N 1 0 310.445 3.059 20 10 DGCDRO c1coc([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000371332708 434667905 /nfs/dbraw/zinc/66/79/05/434667905.db2.gz QXEBYYGOKQYFGV-KRWDZBQOSA-N 1 0 312.413 3.106 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000371337200 434672260 /nfs/dbraw/zinc/67/22/60/434672260.db2.gz TUKMHLCTOATREP-UHFFFAOYSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cccc([C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)OC)c1 ZINC000527739700 435013735 /nfs/dbraw/zinc/01/37/35/435013735.db2.gz SPJLKWXKIXLSII-LJQANCHMSA-N 1 0 313.397 3.107 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000530105515 435042827 /nfs/dbraw/zinc/04/28/27/435042827.db2.gz RKMAQLBBDUMQPU-UHFFFAOYSA-N 1 0 309.413 3.235 20 10 DGCDRO COc1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)cc1C ZINC000293576005 335109205 /nfs/dbraw/zinc/10/92/05/335109205.db2.gz HIUGYUOCFHJCNS-GOSISDBHSA-N 1 0 314.429 3.248 20 10 DGCDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000295170905 335130714 /nfs/dbraw/zinc/13/07/14/335130714.db2.gz UGCFUPDAWOCLHS-KRWDZBQOSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC3(SC)CC3)CC2)cc1 ZINC000365506193 333408533 /nfs/dbraw/zinc/40/85/33/333408533.db2.gz UGIONWXWNUGHAD-UHFFFAOYSA-N 1 0 306.475 3.149 20 10 DGCDRO CC[C@H]([NH2+]CC1(COC)CCOCC1)c1ccc(N(C)C)cc1 ZINC000293694344 334201055 /nfs/dbraw/zinc/20/10/55/334201055.db2.gz NYRVIGYLUYHURR-SFHVURJKSA-N 1 0 320.477 3.237 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3ccccc3O)CC2)cc1 ZINC000179562412 534002725 /nfs/dbraw/zinc/00/27/25/534002725.db2.gz HQCGQPSPTBHREA-UHFFFAOYSA-N 1 0 312.413 3.113 20 10 DGCDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000181270243 519703786 /nfs/dbraw/zinc/70/37/86/519703786.db2.gz JVRAPNDEZGDPPJ-ZDUSSCGKSA-N 1 0 300.402 3.111 20 10 DGCDRO Oc1ccccc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000134228048 534457218 /nfs/dbraw/zinc/45/72/18/534457218.db2.gz YMJYXVPRGCSMME-UHFFFAOYSA-N 1 0 305.761 3.107 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000178780198 520186427 /nfs/dbraw/zinc/18/64/27/520186427.db2.gz GLKQEGWOBYYECE-MRXNPFEDSA-N 1 0 307.434 3.279 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180020545 521051586 /nfs/dbraw/zinc/05/15/86/521051586.db2.gz MXECQFYRMNKPBQ-UONOGXRCSA-N 1 0 322.424 3.048 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1 ZINC000189837845 521151173 /nfs/dbraw/zinc/15/11/73/521151173.db2.gz FVASJESUQHCJLD-LJQANCHMSA-N 1 0 315.413 3.178 20 10 DGCDRO CCSc1cc(C[NH2+]Cc2cccc(OC)c2O)ccn1 ZINC000189590501 521734209 /nfs/dbraw/zinc/73/42/09/521734209.db2.gz BZGGFQKCVMVEST-UHFFFAOYSA-N 1 0 304.415 3.198 20 10 DGCDRO CC[C@H]([NH2+]CCC[C@@H](C)O)c1cc(Br)ccc1O ZINC000228036695 522587271 /nfs/dbraw/zinc/58/72/71/522587271.db2.gz FHDJGJNZXBPNMF-MFKMUULPSA-N 1 0 316.239 3.356 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2cccs2)cc1OC ZINC000160309826 522769198 /nfs/dbraw/zinc/76/91/98/522769198.db2.gz YKYPRMNKFJGIIE-UHFFFAOYSA-N 1 0 307.415 3.145 20 10 DGCDRO CC[C@@H]([NH2+]CC[C@@H](O)CC)c1cc(Br)ccc1O ZINC000119247049 522840770 /nfs/dbraw/zinc/84/07/70/522840770.db2.gz AMYGWNCQHJWMFY-WCQYABFASA-N 1 0 316.239 3.356 20 10 DGCDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2O)C1)C(=O)OC(C)(C)C ZINC000180075615 523139340 /nfs/dbraw/zinc/13/93/40/523139340.db2.gz BCJJWMPHXNZIHT-CQSZACIVSA-N 1 0 320.433 3.081 20 10 DGCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCCOC1 ZINC000156030752 523165257 /nfs/dbraw/zinc/16/52/57/523165257.db2.gz QBRSTMNHHNJFJP-LLVKDONJSA-N 1 0 314.223 3.013 20 10 DGCDRO CC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+](CC)CC ZINC000265408212 523785712 /nfs/dbraw/zinc/78/57/12/523785712.db2.gz CSCYGKUHSCSOSU-GOSISDBHSA-N 1 0 317.477 3.023 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)cc1O ZINC000131277734 524006961 /nfs/dbraw/zinc/00/69/61/524006961.db2.gz FPFOWRZVTNJZCO-UHFFFAOYSA-N 1 0 318.392 3.238 20 10 DGCDRO COc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1C ZINC000237322500 524069117 /nfs/dbraw/zinc/06/91/17/524069117.db2.gz ZFLBFYIIZQKJKB-UHFFFAOYSA-N 1 0 316.367 3.120 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1C ZINC000266242088 525321623 /nfs/dbraw/zinc/32/16/23/525321623.db2.gz XSLIEOIEPSPHPR-INIZCTEOSA-N 1 0 317.404 3.089 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1 ZINC000156672410 525349054 /nfs/dbraw/zinc/34/90/54/525349054.db2.gz VIEVSBITZCKKIX-QGZVFWFLSA-N 1 0 305.805 3.351 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c1 ZINC000156672282 525349456 /nfs/dbraw/zinc/34/94/56/525349456.db2.gz VIEVSBITZCKKIX-KRWDZBQOSA-N 1 0 305.805 3.351 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000113341643 525350357 /nfs/dbraw/zinc/35/03/57/525350357.db2.gz AGIFRQLLHSDDGR-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO C[C@H]([NH2+]CCOCC(F)F)c1ccc(Br)cc1O ZINC000188757171 525356888 /nfs/dbraw/zinc/35/68/88/525356888.db2.gz DDNMTUKRIWIRSB-QMMMGPOBSA-N 1 0 324.165 3.087 20 10 DGCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)CC1OCCO1 ZINC000180217739 526094359 /nfs/dbraw/zinc/09/43/59/526094359.db2.gz RPKJHQDOBZBAJH-OAHLLOKOSA-N 1 0 313.397 3.328 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000180363398 526325385 /nfs/dbraw/zinc/32/53/85/526325385.db2.gz GYZIBCBBCWZYOV-OAHLLOKOSA-N 1 0 308.853 3.496 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000267061862 526337824 /nfs/dbraw/zinc/33/78/24/526337824.db2.gz PHLNRCIWRATYGC-SFHVURJKSA-N 1 0 315.438 3.017 20 10 DGCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180271219 526349460 /nfs/dbraw/zinc/34/94/60/526349460.db2.gz ZNMDLUJMBGSTGE-ZBFHGGJFSA-N 1 0 305.349 3.212 20 10 DGCDRO OCC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCc2ccccc21 ZINC000180152915 527550373 /nfs/dbraw/zinc/55/03/73/527550373.db2.gz YHSPSLBFKJFNOI-QGZVFWFLSA-N 1 0 301.361 3.013 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2cc(F)cnc2Cl)c1O ZINC000295027408 528654802 /nfs/dbraw/zinc/65/48/02/528654802.db2.gz CVTSRADBIHCSLD-UHFFFAOYSA-N 1 0 310.756 3.268 20 10 DGCDRO CCOC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177366577 528939538 /nfs/dbraw/zinc/93/95/38/528939538.db2.gz AURBIDNSBAUCID-GFCCVEGCSA-N 1 0 311.809 3.107 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccccc1O ZINC000274984510 535934737 /nfs/dbraw/zinc/93/47/37/535934737.db2.gz ZSLBBEXZTHPNQX-LZWOXQAQSA-N 1 0 304.434 3.080 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccccc1O ZINC000274984504 535946331 /nfs/dbraw/zinc/94/63/31/535946331.db2.gz ZSLBBEXZTHPNQX-DZKIICNBSA-N 1 0 304.434 3.080 20 10 DGCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NCC1CCC1 ZINC000731847153 574560244 /nfs/dbraw/zinc/56/02/44/574560244.db2.gz FQBBGUVODVQUOS-UHFFFAOYSA-N 1 0 316.445 3.053 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCCN2CC)cc1 ZINC000732229973 574568699 /nfs/dbraw/zinc/56/86/99/574568699.db2.gz RXBJKMNABMUOOR-LJQANCHMSA-N 1 0 303.494 3.497 20 10 DGCDRO CC1(c2ccccc2)CC([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000733326500 574616203 /nfs/dbraw/zinc/61/62/03/574616203.db2.gz HASXNJYZXRNISS-UHFFFAOYSA-N 1 0 311.381 3.331 20 10 DGCDRO CSC[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000736361190 574745583 /nfs/dbraw/zinc/74/55/83/574745583.db2.gz PKYVWVJGIHOLNG-ZDUSSCGKSA-N 1 0 323.462 3.426 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@](C)(CO)C2CCCCC2)cc1F ZINC000740013292 574918361 /nfs/dbraw/zinc/91/83/61/574918361.db2.gz CGMSLRKQBBKJKM-SFHVURJKSA-N 1 0 308.441 3.313 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2ccc(C)o2)cc1F ZINC000741262803 574954540 /nfs/dbraw/zinc/95/45/40/574954540.db2.gz WOLWVMNZQVMWJF-KRWDZBQOSA-N 1 0 320.408 3.397 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)OC(C)(C)C)cc1 ZINC000742371856 574993454 /nfs/dbraw/zinc/99/34/54/574993454.db2.gz AEXUXDIEWKFFMM-UHFFFAOYSA-N 1 0 306.450 3.354 20 10 DGCDRO CCOC(=O)CC[N@@H+](Cc1cc2c(cc1O)CCC2)CC1CC1 ZINC000743359963 575046106 /nfs/dbraw/zinc/04/61/06/575046106.db2.gz YZNKYWJMRYFHHX-UHFFFAOYSA-N 1 0 317.429 3.046 20 10 DGCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)ccc1O ZINC000743499929 575054959 /nfs/dbraw/zinc/05/49/59/575054959.db2.gz QFKWBOMXMYDLIJ-GWCFXTLKSA-N 1 0 316.239 3.041 20 10 DGCDRO CSCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743629525 575059570 /nfs/dbraw/zinc/05/95/70/575059570.db2.gz UORJWXOZVBVOPE-UHFFFAOYSA-N 1 0 309.435 3.038 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1COc2ccccc2O1 ZINC000743870574 575067591 /nfs/dbraw/zinc/06/75/91/575067591.db2.gz XYEWXVGENMPILZ-MRXNPFEDSA-N 1 0 313.397 3.444 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000746134256 575434922 /nfs/dbraw/zinc/43/49/22/575434922.db2.gz OWRPMJCLPAIYFO-HZPDHXFCSA-N 1 0 317.477 3.022 20 10 DGCDRO CCCN(CC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000746137998 575435902 /nfs/dbraw/zinc/43/59/02/575435902.db2.gz UITUTBAMIHLIJY-UHFFFAOYSA-N 1 0 306.450 3.306 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000747100817 575496479 /nfs/dbraw/zinc/49/64/79/575496479.db2.gz VQPJNWQBAZMXIH-MRXNPFEDSA-N 1 0 305.805 3.393 20 10 DGCDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000748246872 575575184 /nfs/dbraw/zinc/57/51/84/575575184.db2.gz QPPYWMFPMJREJP-IBGZPJMESA-N 1 0 318.461 3.498 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](O)c1cccc(F)c1 ZINC000749116836 575628166 /nfs/dbraw/zinc/62/81/66/575628166.db2.gz MAEMWPQHFVDUOT-QLJPJBMISA-N 1 0 309.768 3.396 20 10 DGCDRO COc1cc(C[NH2+]Cc2cc(Cl)ccc2O)cc(OC)c1 ZINC000725846130 575928727 /nfs/dbraw/zinc/92/87/27/575928727.db2.gz XHOSWPODMWRASX-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO Cn1nc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c2ccccc21 ZINC000727469732 576128193 /nfs/dbraw/zinc/12/81/93/576128193.db2.gz DLMKRTNLHITVPI-UHFFFAOYSA-N 1 0 320.440 3.246 20 10 DGCDRO CCC[NH+](CCC)CCCNC(=O)N(C)Cc1ccccc1O ZINC000728131718 576163206 /nfs/dbraw/zinc/16/32/06/576163206.db2.gz VUJCCRYQHCRBHE-UHFFFAOYSA-N 1 0 321.465 3.046 20 10 DGCDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000853242009 620681589 /nfs/dbraw/zinc/68/15/89/620681589.db2.gz YYKHZZNWYWMKET-JTQLQIEISA-N 1 0 324.222 3.222 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1CC1(F)F ZINC000840968841 630388137 /nfs/dbraw/zinc/38/81/37/630388137.db2.gz VLCIHPDWHQJUQL-XCBNKYQSSA-N 1 0 306.150 3.288 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](CCN(C)C)C2CCCC2)c1 ZINC000154624586 620694178 /nfs/dbraw/zinc/69/41/78/620694178.db2.gz DCQCKDPQLGEPMU-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc3c(cc1O)CCCC3)C2 ZINC000853543381 620708535 /nfs/dbraw/zinc/70/85/35/620708535.db2.gz WSUUAHJXHHRWTN-KDURUIRLSA-N 1 0 301.430 3.129 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccns3)C2)cc1 ZINC000926679415 618085153 /nfs/dbraw/zinc/08/51/53/618085153.db2.gz DYKGPTOPASQCAB-STQMWFEESA-N 1 0 303.431 3.081 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cccc(Cl)c1[O-] ZINC000806128844 617661554 /nfs/dbraw/zinc/66/15/54/617661554.db2.gz POYMRLPUMZGQDB-HNNXBMFYSA-N 1 0 318.804 3.385 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2)c(O)c1OC ZINC000891602617 617848955 /nfs/dbraw/zinc/84/89/55/617848955.db2.gz RGRZIFQWLXCVNP-UHFFFAOYSA-N 1 0 323.339 3.320 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(O)c1OC ZINC000891629107 617856541 /nfs/dbraw/zinc/85/65/41/617856541.db2.gz AODJQMJYLMLBAF-HNNXBMFYSA-N 1 0 313.397 3.399 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCc2ccco2)c(O)c1OC ZINC000892415589 618060338 /nfs/dbraw/zinc/06/03/38/618060338.db2.gz KYILIQHFTYKTDS-GFCCVEGCSA-N 1 0 305.374 3.113 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)c(O)c1OC ZINC000892441359 618067027 /nfs/dbraw/zinc/06/70/27/618067027.db2.gz MWAJDTVIUAZSDI-MRXNPFEDSA-N 1 0 313.397 3.057 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3c(C)noc3C)C2)cc1 ZINC000926680206 618085792 /nfs/dbraw/zinc/08/57/92/618085792.db2.gz KZWOGJUJYHFODS-IUODEOHRSA-N 1 0 315.417 3.230 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000840880824 618094885 /nfs/dbraw/zinc/09/48/85/618094885.db2.gz ZKYGBZDKZKVFNA-XEZPLFJOSA-N 1 0 310.388 3.218 20 10 DGCDRO CCCSC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000892668631 618131066 /nfs/dbraw/zinc/13/10/66/618131066.db2.gz OZWQFKLDYGEBPM-HNNXBMFYSA-N 1 0 308.491 3.145 20 10 DGCDRO Cc1cc(CC[NH2+][C@@H](C)c2cnnn2C)c(C)n1-c1ccccc1 ZINC000924590496 618137309 /nfs/dbraw/zinc/13/73/09/618137309.db2.gz WMJJNJWMVAUKHV-HNNXBMFYSA-N 1 0 323.444 3.116 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000840892675 618151843 /nfs/dbraw/zinc/15/18/43/618151843.db2.gz BYEPPPFKAOFBDT-IRXDYDNUSA-N 1 0 314.477 3.257 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000155194078 620787648 /nfs/dbraw/zinc/78/76/48/620787648.db2.gz DITBHNLIHGXXLZ-UHFFFAOYSA-N 1 0 314.429 3.402 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(O)c1OC ZINC000894449788 618334110 /nfs/dbraw/zinc/33/41/10/618334110.db2.gz QBOHGWJWAXBULV-OAHLLOKOSA-N 1 0 314.385 3.142 20 10 DGCDRO CCc1nc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)cs1 ZINC000892977236 618376695 /nfs/dbraw/zinc/37/66/95/618376695.db2.gz KQTOUMLBWACZJS-SNVBAGLBSA-N 1 0 322.430 3.279 20 10 DGCDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c(O)c1OC ZINC000894544439 618377642 /nfs/dbraw/zinc/37/76/42/618377642.db2.gz NFXVVQHOPQTIOH-KRWDZBQOSA-N 1 0 303.402 3.174 20 10 DGCDRO [O-]c1c(Br)cccc1C[NH2+][C@H]1CCc2cccnc21 ZINC000894571594 618389265 /nfs/dbraw/zinc/38/92/65/618389265.db2.gz SUFKUNYXNSTMPS-ZDUSSCGKSA-N 1 0 319.202 3.327 20 10 DGCDRO COc1ccc(CNc2cc3c(c[nH+]2)CCCC3)c(O)c1OC ZINC000894572748 618391065 /nfs/dbraw/zinc/39/10/65/618391065.db2.gz MPPQBMKECUUTET-UHFFFAOYSA-N 1 0 314.385 3.295 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c(O)c1OC ZINC000893115051 618431659 /nfs/dbraw/zinc/43/16/59/618431659.db2.gz ZKXOOSOTBQEBAE-LLVKDONJSA-N 1 0 301.333 3.077 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c(O)c1OC ZINC000894890642 618489051 /nfs/dbraw/zinc/48/90/51/618489051.db2.gz WQKPYCOSUMMPFY-DZGCQCFKSA-N 1 0 305.418 3.325 20 10 DGCDRO CC[C@@H]([NH2+]CCN1CCSCC1)c1cc(Cl)ccc1O ZINC000775503217 618501287 /nfs/dbraw/zinc/50/12/87/618501287.db2.gz DOCZPQWCOIPIMP-CQSZACIVSA-N 1 0 314.882 3.135 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000840916299 618528892 /nfs/dbraw/zinc/52/88/92/618528892.db2.gz ITQQOBCRBXBJLX-IBGZPJMESA-N 1 0 302.462 3.454 20 10 DGCDRO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000895155512 618557094 /nfs/dbraw/zinc/55/70/94/618557094.db2.gz JKPSHRUTYKXIMS-UHFFFAOYSA-N 1 0 300.189 3.274 20 10 DGCDRO O=c1cc[nH]c2cc(C[NH2+]Cc3ccc4c(c3)CCCO4)ccc12 ZINC000895273861 618585636 /nfs/dbraw/zinc/58/56/36/618585636.db2.gz QRPGTLXHRYBLEE-UHFFFAOYSA-N 1 0 320.392 3.143 20 10 DGCDRO CC1=NO[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000895305604 618591157 /nfs/dbraw/zinc/59/11/57/618591157.db2.gz UTAKKBZEMJJOCB-ZDUSSCGKSA-N 1 0 315.339 3.026 20 10 DGCDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000895305603 618591309 /nfs/dbraw/zinc/59/13/09/618591309.db2.gz UTAKKBZEMJJOCB-CYBMUJFWSA-N 1 0 315.339 3.026 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3nc(C)c(C)s3)C2)cc1 ZINC000895311249 618592905 /nfs/dbraw/zinc/59/29/05/618592905.db2.gz WQPVMZZSCDVYKS-CQSZACIVSA-N 1 0 317.458 3.137 20 10 DGCDRO Cc1nc(CN(C)c2ccc(OCC[NH+](C)C)cc2)sc1C ZINC000893571238 618609665 /nfs/dbraw/zinc/60/96/65/618609665.db2.gz KXVZQJFBNDZPMJ-UHFFFAOYSA-N 1 0 319.474 3.337 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@H](O)c1cccc(F)c1 ZINC000840935294 618610017 /nfs/dbraw/zinc/61/00/17/618610017.db2.gz KSKLCJGXTSSDSJ-LIRRHRJNSA-N 1 0 316.420 3.412 20 10 DGCDRO CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000925784390 618619526 /nfs/dbraw/zinc/61/95/26/618619526.db2.gz NDNVRQLQWMHCIV-OASPWFOLSA-N 1 0 302.340 3.060 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1[O-] ZINC000925879443 618651439 /nfs/dbraw/zinc/65/14/39/618651439.db2.gz DRSCIOCOHVUHTJ-AXFHLTTASA-N 1 0 302.340 3.189 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925882489 618652110 /nfs/dbraw/zinc/65/21/10/618652110.db2.gz NEOQZUKYXKXRIM-BBBLOLIVSA-N 1 0 303.233 3.477 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(C)ccc2F)c(O)c1OC ZINC000894048246 618699390 /nfs/dbraw/zinc/69/93/90/618699390.db2.gz VGGKILKIPZXTSN-UHFFFAOYSA-N 1 0 319.376 3.489 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1O ZINC000894050125 618699572 /nfs/dbraw/zinc/69/95/72/618699572.db2.gz PHQMKSHMJKOVFX-UHFFFAOYSA-N 1 0 323.396 3.185 20 10 DGCDRO COc1ccc(C[N@@H+]2CCc3cccc(C)c3C2)c(O)c1OC ZINC000894037306 618699960 /nfs/dbraw/zinc/69/99/60/618699960.db2.gz ZNINOXBXEUOOLZ-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO CCOc1ccccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894200314 618727569 /nfs/dbraw/zinc/72/75/69/618727569.db2.gz ZHDTYBHGTPRUAB-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c1O ZINC000894331311 618765575 /nfs/dbraw/zinc/76/55/75/618765575.db2.gz FFXGEKHGCNMWNK-INIZCTEOSA-N 1 0 307.434 3.394 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](CCO)C2CCCCC2)c1O ZINC000894366203 618772437 /nfs/dbraw/zinc/77/24/37/618772437.db2.gz FICMVKLJAUOPBR-MRXNPFEDSA-N 1 0 307.434 3.130 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1O ZINC000894375394 618774246 /nfs/dbraw/zinc/77/42/46/618774246.db2.gz KGRLFYJZQDNBOH-HOTGVXAUSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c1O ZINC000895449325 618786179 /nfs/dbraw/zinc/78/61/79/618786179.db2.gz GRBVASGZKWPKNU-RDJZCZTQSA-N 1 0 305.418 3.147 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c1O ZINC000895465326 618788290 /nfs/dbraw/zinc/78/82/90/618788290.db2.gz BBBLNEUQTKYEEF-INIZCTEOSA-N 1 0 305.418 3.291 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1F ZINC000895585103 618802755 /nfs/dbraw/zinc/80/27/55/618802755.db2.gz WBOVQXABXVVTLR-CYBMUJFWSA-N 1 0 305.422 3.338 20 10 DGCDRO CCOc1ccc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c(O)c1 ZINC000895657676 618813055 /nfs/dbraw/zinc/81/30/55/618813055.db2.gz CXSWGLDBGPKLAK-SFHVURJKSA-N 1 0 315.413 3.393 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000895828079 618834528 /nfs/dbraw/zinc/83/45/28/618834528.db2.gz JBVQDMIKAXOQPW-UHFFFAOYSA-N 1 0 318.461 3.225 20 10 DGCDRO COc1ccc(C[NH2+]CC(C)(C)C(C)(F)F)c(O)c1OC ZINC000895833083 618839562 /nfs/dbraw/zinc/83/95/62/618839562.db2.gz SVBRSECFJKRLLV-UHFFFAOYSA-N 1 0 303.349 3.180 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCc3cc(O)c(OC)cc3C2)c1O ZINC000895887257 618845578 /nfs/dbraw/zinc/84/55/78/618845578.db2.gz ISDCELUQGGKIKL-UHFFFAOYSA-N 1 0 313.397 3.227 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H]2CCCC2(F)F)c(O)c1OC ZINC000895995558 618860202 /nfs/dbraw/zinc/86/02/02/618860202.db2.gz JDZOPWDAUZUWHM-GFCCVEGCSA-N 1 0 315.360 3.325 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000896820762 618965133 /nfs/dbraw/zinc/96/51/33/618965133.db2.gz BIODCTUUFFAHPO-SMDDNHRTSA-N 1 0 303.324 3.290 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1O ZINC000896831741 618966991 /nfs/dbraw/zinc/96/69/91/618966991.db2.gz ASCGWHMTQNQXBY-CQSZACIVSA-N 1 0 316.367 3.071 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCOC(F)(F)F)cc1F ZINC000788969803 625308342 /nfs/dbraw/zinc/30/83/42/625308342.db2.gz OCQVOJIKNQPSJA-UHFFFAOYSA-N 1 0 308.319 3.298 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2c(F)cc(C)cc2F)cc1OC ZINC000897214159 619030250 /nfs/dbraw/zinc/03/02/50/619030250.db2.gz JJOBAVCLMQVCTI-UHFFFAOYSA-N 1 0 323.339 3.286 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2O)c(C)c1OC ZINC000897244281 619035906 /nfs/dbraw/zinc/03/59/06/619035906.db2.gz AJXPBYLXHDRNJU-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO CN(C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000021051809 619058231 /nfs/dbraw/zinc/05/82/31/619058231.db2.gz ROGGEYYKTUNMIJ-INIZCTEOSA-N 1 0 304.821 3.438 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(C)C ZINC000841755511 619159366 /nfs/dbraw/zinc/15/93/66/619159366.db2.gz HZAKEPTXGOOFLJ-NHYWBVRUSA-N 1 0 312.841 3.199 20 10 DGCDRO CCc1noc(C2CCC([NH2+]CCc3ccc(N)cc3)CC2)n1 ZINC000841034733 619169842 /nfs/dbraw/zinc/16/98/42/619169842.db2.gz JTJVDNCKFCQDAK-UHFFFAOYSA-N 1 0 314.433 3.073 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1O ZINC000897679201 619172651 /nfs/dbraw/zinc/17/26/51/619172651.db2.gz IOGSWLONCUSLQQ-RDTXWAMCSA-N 1 0 316.470 3.197 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2cnn(CCF)c2)cc1C ZINC000897732357 619180108 /nfs/dbraw/zinc/18/01/08/619180108.db2.gz WRAAUSWLESQCSL-UHFFFAOYSA-N 1 0 305.397 3.240 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c1O ZINC000897778828 619181570 /nfs/dbraw/zinc/18/15/70/619181570.db2.gz KTLXFJJZIDLVQC-NBZBQWRSSA-N 1 0 311.809 3.101 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cc1Cn1cccn1 ZINC000897960019 619199138 /nfs/dbraw/zinc/19/91/38/619199138.db2.gz NRQDZEOFZIJMJZ-KBAYOESNSA-N 1 0 311.429 3.218 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897982938 619203140 /nfs/dbraw/zinc/20/31/40/619203140.db2.gz RZDFJJKGWWVIRC-SNAWJCMRSA-N 1 0 313.489 3.372 20 10 DGCDRO FC1(F)CC[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000898018889 619206568 /nfs/dbraw/zinc/20/65/68/619206568.db2.gz FLNJUNQWIVCZCN-HNNXBMFYSA-N 1 0 324.415 3.438 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1O ZINC000898068907 619211940 /nfs/dbraw/zinc/21/19/40/619211940.db2.gz ROAPRILUZFILBN-ZDUSSCGKSA-N 1 0 318.442 3.230 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2cccnc2C)ccc1OC ZINC000898257131 619233246 /nfs/dbraw/zinc/23/32/46/619233246.db2.gz OCJNRZMFXSWQTL-UHFFFAOYSA-N 1 0 314.429 3.267 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]CCCNCc2cccnc2)c1O ZINC000841043383 619245268 /nfs/dbraw/zinc/24/52/68/619245268.db2.gz VHVFIEWQQXLBOE-UHFFFAOYSA-N 1 0 319.836 3.019 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccccc1O ZINC000926923801 619249744 /nfs/dbraw/zinc/24/97/44/619249744.db2.gz YUQHUTXIHLUGKP-TZMCWYRMSA-N 1 0 316.367 3.460 20 10 DGCDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000841062776 619250170 /nfs/dbraw/zinc/25/01/70/619250170.db2.gz FHUBJJAYWYLIQA-NHYWBVRUSA-N 1 0 315.383 3.002 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898385877 619269635 /nfs/dbraw/zinc/26/96/35/619269635.db2.gz GSUQDGHJUBDYIG-MOPGFXCFSA-N 1 0 300.446 3.192 20 10 DGCDRO c1cc2c(cc1C[NH2+]CCOC1CCSCC1)CCCO2 ZINC000898433805 619275477 /nfs/dbraw/zinc/27/54/77/619275477.db2.gz BVMSUFDYGZLLAE-UHFFFAOYSA-N 1 0 307.459 3.013 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000898482740 619278481 /nfs/dbraw/zinc/27/84/81/619278481.db2.gz GBSZEODIRCAGKN-CJNGLKHVSA-N 1 0 313.397 3.367 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000898516444 619283634 /nfs/dbraw/zinc/28/36/34/619283634.db2.gz SBCXOLVXPKBTKP-NVXWUHKLSA-N 1 0 319.445 3.430 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000898516446 619283697 /nfs/dbraw/zinc/28/36/97/619283697.db2.gz SBCXOLVXPKBTKP-WBVHZDCISA-N 1 0 319.445 3.430 20 10 DGCDRO C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(Cl)c(Cl)cc1O ZINC000902466953 619641924 /nfs/dbraw/zinc/64/19/24/619641924.db2.gz JQDFEEUNTQEIIW-GYBADROVSA-N 1 0 301.217 3.243 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000902488485 619646341 /nfs/dbraw/zinc/64/63/41/619646341.db2.gz YNLYUWXEISWSBZ-KBVBSXBZSA-N 1 0 303.233 3.477 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c(O)cc1C ZINC000902650359 619661311 /nfs/dbraw/zinc/66/13/11/619661311.db2.gz ZXQJBEUZBPORDI-CYBMUJFWSA-N 1 0 318.442 3.230 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)n1 ZINC000902809428 619680553 /nfs/dbraw/zinc/68/05/53/619680553.db2.gz SGXUUAYXHSJABA-ODXJTPSBSA-N 1 0 310.488 3.028 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@H]4C3)cc2)CC1 ZINC000903056920 619707303 /nfs/dbraw/zinc/70/73/03/619707303.db2.gz VJUCKWLXOIFPPB-BCDXTJNWSA-N 1 0 314.473 3.316 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](c2nncn2C)C(C)C)cc1 ZINC000903063059 619708696 /nfs/dbraw/zinc/70/86/96/619708696.db2.gz YKYWJMPGAZYUNA-RHSMWYFYSA-N 1 0 315.465 3.319 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c1O ZINC000903176425 619730364 /nfs/dbraw/zinc/73/03/64/619730364.db2.gz OSKOACWASKDMMT-OUJBWJOFSA-N 1 0 319.323 3.161 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000903180306 619731204 /nfs/dbraw/zinc/73/12/04/619731204.db2.gz YWHRDTKWZKNJQU-WDMOLILDSA-N 1 0 303.324 3.461 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](c3ccccn3)C3CC3)C2)cc1 ZINC000903200785 619735562 /nfs/dbraw/zinc/73/55/62/619735562.db2.gz UROPIIFQCOPKKH-OXQOHEQNSA-N 1 0 323.440 3.410 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cc(N(C)C)ccn2)cc1 ZINC000903201896 619735764 /nfs/dbraw/zinc/73/57/64/619735764.db2.gz QOFYAMOBDHDTDZ-HNNXBMFYSA-N 1 0 312.461 3.455 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc(CN(C)C)cs2)c(O)c1C ZINC000903222724 619741877 /nfs/dbraw/zinc/74/18/77/619741877.db2.gz JDHXBHPRSUIHEL-CYBMUJFWSA-N 1 0 319.474 3.378 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1cc(F)ccc1O ZINC000903240493 619742694 /nfs/dbraw/zinc/74/26/94/619742694.db2.gz SORNDAZCNYMRMX-GFCCVEGCSA-N 1 0 303.381 3.379 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(C3(O)CCC3)CC2)cc1 ZINC000903258213 619746082 /nfs/dbraw/zinc/74/60/82/619746082.db2.gz SGWDMTOZGXXGRY-HNNXBMFYSA-N 1 0 302.462 3.489 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1ccc(C)cc1O ZINC000903269677 619749506 /nfs/dbraw/zinc/74/95/06/619749506.db2.gz AZEHAWCAFPAVOR-BBWFWOEESA-N 1 0 320.502 3.321 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C1(c3ccc4c(c3)OCCO4)CC1)CC2 ZINC000903293651 619752409 /nfs/dbraw/zinc/75/24/09/619752409.db2.gz FONKQDHJAJQNBR-OAHLLOKOSA-N 1 0 323.392 3.430 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)CCc2ccccc2)c1O ZINC000903288130 619754401 /nfs/dbraw/zinc/75/44/01/619754401.db2.gz KHEZXIOEUCJHGB-ZBFHGGJFSA-N 1 0 315.413 3.045 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)cc(CO)cc2C)c1 ZINC000903308500 619756783 /nfs/dbraw/zinc/75/67/83/619756783.db2.gz QLZFRRXYNRDIKI-AWEZNQCLSA-N 1 0 315.413 3.361 20 10 DGCDRO C[C@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)c1cccc(F)c1 ZINC000903312299 619757937 /nfs/dbraw/zinc/75/79/37/619757937.db2.gz YQVFQDALIQHCSE-YJBOKZPZSA-N 1 0 301.361 3.016 20 10 DGCDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CCSC1 ZINC000903314385 619758244 /nfs/dbraw/zinc/75/82/44/619758244.db2.gz MTEAMWQAPOSPSV-YGRLFVJLSA-N 1 0 301.839 3.218 20 10 DGCDRO C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1c(O)cccc1F ZINC000903379519 619768110 /nfs/dbraw/zinc/76/81/10/619768110.db2.gz XIZASDFQPBTWGG-XJKSGUPXSA-N 1 0 317.408 3.270 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000903423529 619776520 /nfs/dbraw/zinc/77/65/20/619776520.db2.gz WAKQIVJRRIGZSI-DZGCQCFKSA-N 1 0 314.351 3.008 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000903450666 619778909 /nfs/dbraw/zinc/77/89/09/619778909.db2.gz KFKNIRODGVKDFT-ZNMIVQPWSA-N 1 0 305.418 3.391 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCON)cc1 ZINC000904455750 619923559 /nfs/dbraw/zinc/92/35/59/619923559.db2.gz AUAQJRUZBOCFOO-UHFFFAOYSA-N 1 0 313.445 3.083 20 10 DGCDRO C[C@@H](NC(=O)Nc1ccccc1C[NH3+])c1ccc(N(C)C)cc1 ZINC000904643656 619939121 /nfs/dbraw/zinc/93/91/21/619939121.db2.gz LAGCQUVVFRIKOV-CYBMUJFWSA-N 1 0 312.417 3.094 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)CC(C)(C)C)cc1 ZINC000911668484 620339819 /nfs/dbraw/zinc/33/98/19/620339819.db2.gz XTJCMKKXZMUEJM-INIZCTEOSA-N 1 0 319.493 3.331 20 10 DGCDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cc(Br)ccc1O ZINC000759834991 620480028 /nfs/dbraw/zinc/48/00/28/620480028.db2.gz ABIUPQXPLBBUQV-WDEREUQCSA-N 1 0 314.223 3.059 20 10 DGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(Br)ccc1O ZINC000759834989 620480208 /nfs/dbraw/zinc/48/02/08/620480208.db2.gz ABIUPQXPLBBUQV-MNOVXSKESA-N 1 0 314.223 3.059 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)Cn2cccn2)cc1F ZINC000152059543 620489799 /nfs/dbraw/zinc/48/97/99/620489799.db2.gz WQTWBAZQSHRHSL-CQSZACIVSA-N 1 0 304.413 3.047 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCCc2cnn(C)c2)cc1F ZINC000152146428 620494597 /nfs/dbraw/zinc/49/45/97/620494597.db2.gz WKJOVVKJKPLDOM-UHFFFAOYSA-N 1 0 318.440 3.128 20 10 DGCDRO COc1cc2c(cc1C[NH2+]Cc1cc(C)ccc1O)O[C@@H](C)C2 ZINC000113319774 620900407 /nfs/dbraw/zinc/90/04/07/620900407.db2.gz CFBDVDIBWVFTPE-ZDUSSCGKSA-N 1 0 313.397 3.322 20 10 DGCDRO COCCOc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000113321388 620904389 /nfs/dbraw/zinc/90/43/89/620904389.db2.gz KPFDWTSZHPZFTC-UHFFFAOYSA-N 1 0 301.386 3.016 20 10 DGCDRO c1cn(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cc2)cn1 ZINC000921603383 620913174 /nfs/dbraw/zinc/91/31/74/620913174.db2.gz GMPKNNMOLPUJGV-UHFFFAOYSA-N 1 0 319.408 3.487 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]Cc3cc[nH]c(=O)c3)cc2)CC1 ZINC000921714069 620939776 /nfs/dbraw/zinc/93/97/76/620939776.db2.gz DBRGWMCRFLTUHZ-UHFFFAOYSA-N 1 0 311.429 3.313 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](O)c1ccc(F)cc1 ZINC000921747982 620943731 /nfs/dbraw/zinc/94/37/31/620943731.db2.gz CASVHSIBFGGQNQ-ORAYPTAESA-N 1 0 315.388 3.362 20 10 DGCDRO Cc1noc(C)c1C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921762886 620946216 /nfs/dbraw/zinc/94/62/16/620946216.db2.gz QYKDJMREWUQIAX-LBPRGKRZSA-N 1 0 300.402 3.337 20 10 DGCDRO O=C(Nc1ccccc1)C1([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922019737 620981340 /nfs/dbraw/zinc/98/13/40/620981340.db2.gz CRCCYXALPAQCEJ-UHFFFAOYSA-N 1 0 322.408 3.273 20 10 DGCDRO c1cncc([C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)c1 ZINC000922162730 620999193 /nfs/dbraw/zinc/99/91/93/620999193.db2.gz JAKIRSHFEQNBST-AZUAARDMSA-N 1 0 324.424 3.417 20 10 DGCDRO CCc1[nH]nc(Cl)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000922217692 621007712 /nfs/dbraw/zinc/00/77/12/621007712.db2.gz VOQCWQJVDQHAPD-SECBINFHSA-N 1 0 309.797 3.191 20 10 DGCDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922283448 621016975 /nfs/dbraw/zinc/01/69/75/621016975.db2.gz AJJBSGMTWKHIMC-UHFFFAOYSA-N 1 0 324.424 3.284 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cc(OC)ccc2F)c(O)c1 ZINC000856800391 621023300 /nfs/dbraw/zinc/02/33/00/621023300.db2.gz CVTGJDQFBJCNFQ-UHFFFAOYSA-N 1 0 305.349 3.228 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1F ZINC000922458523 621040465 /nfs/dbraw/zinc/04/04/65/621040465.db2.gz QNYMICSREFTABS-SMDDNHRTSA-N 1 0 320.330 3.091 20 10 DGCDRO O[C@H]1C[C@](C[NH2+]Cc2ccc3c(c2)CCCO3)(c2ccccc2)C1 ZINC000922533427 621051541 /nfs/dbraw/zinc/05/15/41/621051541.db2.gz AMJGKBCIUPPZAM-XUTJKUGGSA-N 1 0 323.436 3.194 20 10 DGCDRO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cccc(C)c1O ZINC000857068624 621054280 /nfs/dbraw/zinc/05/42/80/621054280.db2.gz CCBIBQJVOARKCH-UHFFFAOYSA-N 1 0 300.402 3.353 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000922679853 621077008 /nfs/dbraw/zinc/07/70/08/621077008.db2.gz SATMMRTXRBHMDS-TZMCWYRMSA-N 1 0 303.324 3.290 20 10 DGCDRO FC(F)(F)[C@@H]1CC[C@@H](CC[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000922679833 621080334 /nfs/dbraw/zinc/08/03/34/621080334.db2.gz RMSJWUKIORINBT-ZFWWWQNUSA-N 1 0 315.335 3.211 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c(O)c1 ZINC000922703411 621085618 /nfs/dbraw/zinc/08/56/18/621085618.db2.gz VRLXSIVCQIAUFU-CYBMUJFWSA-N 1 0 313.397 3.404 20 10 DGCDRO Fc1cc(C[NH2+]CCC2CC=CC2)ccc1N1CCOCC1 ZINC000922733298 621092345 /nfs/dbraw/zinc/09/23/45/621092345.db2.gz MNSSJEIKSNSPBW-UHFFFAOYSA-N 1 0 304.409 3.108 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCS1 ZINC000922837312 621106267 /nfs/dbraw/zinc/10/62/67/621106267.db2.gz SIFADIFUJCMQPG-DZGCQCFKSA-N 1 0 324.465 3.036 20 10 DGCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)n1 ZINC000922871401 621112560 /nfs/dbraw/zinc/11/25/60/621112560.db2.gz FTKYLDOBRHLMPO-GJZGRUSLSA-N 1 0 315.417 3.375 20 10 DGCDRO CC(C)[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000922894302 621121772 /nfs/dbraw/zinc/12/17/72/621121772.db2.gz OXGZPTIJRADJQX-RURPWVQCSA-N 1 0 312.461 3.486 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)c(O)c1 ZINC000857875345 621126425 /nfs/dbraw/zinc/12/64/25/621126425.db2.gz KVWGWWHCVGDWNU-ACJLOTCBSA-N 1 0 310.397 3.065 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1F ZINC000922896821 621128071 /nfs/dbraw/zinc/12/80/71/621128071.db2.gz PJAKIIGJTPBXGE-FZKQIMNGSA-N 1 0 324.415 3.326 20 10 DGCDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(C)c(C)cc3O)C2)nc1 ZINC000858013301 621145640 /nfs/dbraw/zinc/14/56/40/621145640.db2.gz REDBXYDLQQGIRB-QGZVFWFLSA-N 1 0 312.413 3.366 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(F)c(F)c2N(C)C)cc1 ZINC000858088379 621151065 /nfs/dbraw/zinc/15/10/65/621151065.db2.gz BSKIYKHNWAOIBL-UHFFFAOYSA-N 1 0 319.399 3.387 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000858100472 621152871 /nfs/dbraw/zinc/15/28/71/621152871.db2.gz HULVREKQKSYOEZ-JQFCIGGWSA-N 1 0 318.436 3.187 20 10 DGCDRO Fc1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)ccn1 ZINC000858100632 621152888 /nfs/dbraw/zinc/15/28/88/621152888.db2.gz VQKIKKYQSCPEKI-UHFFFAOYSA-N 1 0 317.433 3.064 20 10 DGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000858135609 621156856 /nfs/dbraw/zinc/15/68/56/621156856.db2.gz ZVJXWMLTVYGMCC-HZMBPMFUSA-N 1 0 316.239 3.041 20 10 DGCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858146925 621157647 /nfs/dbraw/zinc/15/76/47/621157647.db2.gz CVOFTFYPRQTLRV-VXGBXAGGSA-N 1 0 300.418 3.405 20 10 DGCDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858146674 621157749 /nfs/dbraw/zinc/15/77/49/621157749.db2.gz KYMJXEVSBJOOPQ-SNVBAGLBSA-N 1 0 316.239 3.448 20 10 DGCDRO COC(C)(C)C[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858146644 621158040 /nfs/dbraw/zinc/15/80/40/621158040.db2.gz JUBVOSSUOKNHGK-NSHDSACASA-N 1 0 300.393 3.324 20 10 DGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1c(O)cccc1Br ZINC000858149941 621158897 /nfs/dbraw/zinc/15/88/97/621158897.db2.gz ANBKRIAACNMWIS-MNOVXSKESA-N 1 0 314.223 3.059 20 10 DGCDRO CCOCC(C)(C)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858165645 621160666 /nfs/dbraw/zinc/16/06/66/621160666.db2.gz WLKCSKVHYKQULR-UHFFFAOYSA-N 1 0 300.393 3.183 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc(C)n1 ZINC000858178846 621162221 /nfs/dbraw/zinc/16/22/21/621162221.db2.gz BIUSMALOXBRJRQ-UHFFFAOYSA-N 1 0 305.372 3.332 20 10 DGCDRO C[C@@H](COCC1CC1)[NH2+]Cc1c(O)cccc1Br ZINC000858183630 621162419 /nfs/dbraw/zinc/16/24/19/621162419.db2.gz JFXJVSSJZDPUBT-JTQLQIEISA-N 1 0 314.223 3.059 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CC[C@H]3CCCOC3)CC2)cc1 ZINC000858207318 621164717 /nfs/dbraw/zinc/16/47/17/621164717.db2.gz OVYOKDMHPUMXNN-MRXNPFEDSA-N 1 0 318.461 3.070 20 10 DGCDRO CCOCOc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000858239301 621167172 /nfs/dbraw/zinc/16/71/72/621167172.db2.gz LFXFNOVQYYWEDF-UHFFFAOYSA-N 1 0 301.386 3.363 20 10 DGCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000858321580 621175822 /nfs/dbraw/zinc/17/58/22/621175822.db2.gz AHLKFQJBMLFOQN-AULYBMBSSA-N 1 0 302.340 3.038 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COc3cccc(C)c3C2)c1O ZINC000858459942 621193948 /nfs/dbraw/zinc/19/39/48/621193948.db2.gz OTRKZGGXOAOYJJ-KGLIPLIRSA-N 1 0 313.397 3.364 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(C)cc1O ZINC000858479361 621196251 /nfs/dbraw/zinc/19/62/51/621196251.db2.gz PQYWSQBNPANRNB-UKRRQHHQSA-N 1 0 312.404 3.471 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000858505328 621199489 /nfs/dbraw/zinc/19/94/89/621199489.db2.gz IMBFULPCUQJCQI-PBHICJAKSA-N 1 0 316.445 3.445 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c1O ZINC000858531720 621202150 /nfs/dbraw/zinc/20/21/50/621202150.db2.gz JLUUDQDWUBRQFY-DZGCQCFKSA-N 1 0 304.434 3.068 20 10 DGCDRO C/C=C\C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000858536022 621202865 /nfs/dbraw/zinc/20/28/65/621202865.db2.gz DAJSVQARBPQWCG-WBSSQXGSSA-N 1 0 300.196 3.390 20 10 DGCDRO CC[C@@H]([NH2+]CCN(C)CC(F)F)c1cc(Cl)ccc1O ZINC000858597658 621208628 /nfs/dbraw/zinc/20/86/28/621208628.db2.gz TUPSVLGXXFEUAB-GFCCVEGCSA-N 1 0 306.784 3.283 20 10 DGCDRO CC[C@H]([NH2+]CCN(C)CC(F)F)c1cc(Cl)ccc1O ZINC000858597659 621208719 /nfs/dbraw/zinc/20/87/19/621208719.db2.gz TUPSVLGXXFEUAB-LBPRGKRZSA-N 1 0 306.784 3.283 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCOC2CCOCC2)cc1 ZINC000859060679 621243511 /nfs/dbraw/zinc/24/35/11/621243511.db2.gz VWHSQFHQACWSSN-UHFFFAOYSA-N 1 0 320.477 3.160 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCn2cc(Cl)cn2)C2CC2)cc1 ZINC000838794003 621276734 /nfs/dbraw/zinc/27/67/34/621276734.db2.gz QNJYICXXJVASIK-UHFFFAOYSA-N 1 0 318.852 3.267 20 10 DGCDRO COC1CCN(c2ccc(C[NH+](C3CC3)C3CC3)cc2)CC1 ZINC000859628038 621301007 /nfs/dbraw/zinc/30/10/07/621301007.db2.gz XKXUNAPHSZSMBQ-UHFFFAOYSA-N 1 0 300.446 3.429 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)[C@H]1SC ZINC000838963466 621307425 /nfs/dbraw/zinc/30/74/25/621307425.db2.gz VOGCUJWLSCTENL-QJPTWQEYSA-N 1 0 318.533 3.124 20 10 DGCDRO CCC[C@@H](C)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146595 621332749 /nfs/dbraw/zinc/33/27/49/621332749.db2.gz NGNBTPCDKAKLRM-CYBMUJFWSA-N 1 0 312.404 3.327 20 10 DGCDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146526 621332784 /nfs/dbraw/zinc/33/27/84/621332784.db2.gz KVDYOLXEDDGVLC-BLLLJJGKSA-N 1 0 310.388 3.080 20 10 DGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146451 621333009 /nfs/dbraw/zinc/33/30/09/621333009.db2.gz HUBIMZNLJNBLSW-QWHCGFSZSA-N 1 0 312.404 3.326 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CC(Cc2ccc(F)c(F)c2)C1 ZINC000839143724 621340960 /nfs/dbraw/zinc/34/09/60/621340960.db2.gz JXECYGRZJUUWHC-UHFFFAOYSA-N 1 0 307.315 3.484 20 10 DGCDRO Cc1ncc(C[NH2+]Cc2cc(Br)cc(C)c2O)o1 ZINC000839168360 621342227 /nfs/dbraw/zinc/34/22/27/621342227.db2.gz AADVDXVJDSJQQR-UHFFFAOYSA-N 1 0 311.179 3.049 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)ccc1OC ZINC000839183068 621344662 /nfs/dbraw/zinc/34/46/62/621344662.db2.gz STBSOPXVTOGEOV-ZWKOTPCHSA-N 1 0 319.445 3.279 20 10 DGCDRO Cc1cc(NCc2cc3c(cc2O)OCO3)ccc1C[NH+](C)C ZINC000839188208 621345822 /nfs/dbraw/zinc/34/58/22/621345822.db2.gz DPTJEDADYFPHGL-UHFFFAOYSA-N 1 0 314.385 3.103 20 10 DGCDRO COc1ccc(O)c(CNc2ccc(C[NH+](C)C)c(C)c2)c1 ZINC000839188196 621345983 /nfs/dbraw/zinc/34/59/83/621345983.db2.gz CWDNHMLAQXBZQI-UHFFFAOYSA-N 1 0 300.402 3.383 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O ZINC000839193413 621347884 /nfs/dbraw/zinc/34/78/84/621347884.db2.gz UNFJPMNKYZBTIC-DLBZAZTESA-N 1 0 319.445 3.164 20 10 DGCDRO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000860189865 621379127 /nfs/dbraw/zinc/37/91/27/621379127.db2.gz MOFXPKJUPSSTBM-SCAQPMJSSA-N 1 0 318.461 3.223 20 10 DGCDRO Cc1ccc(O)c(CNC(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000860408702 621402918 /nfs/dbraw/zinc/40/29/18/621402918.db2.gz LLHYIDBUNPIKGS-UHFFFAOYSA-N 1 0 313.401 3.084 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H](SC)C(C)(C)C)cc1OC ZINC000753571233 621449558 /nfs/dbraw/zinc/44/95/58/621449558.db2.gz TXFFONKIQGTPEY-HNNXBMFYSA-N 1 0 313.463 3.277 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1O ZINC000753577378 621450292 /nfs/dbraw/zinc/45/02/92/621450292.db2.gz USAOUTTUXMMXGA-HZMBPMFUSA-N 1 0 314.223 3.120 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CC=CCC1 ZINC000753577373 621450600 /nfs/dbraw/zinc/45/06/00/621450600.db2.gz UDELOGYVTMPRAF-INIZCTEOSA-N 1 0 318.436 3.450 20 10 DGCDRO CC(C)C1CC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000754089769 621486667 /nfs/dbraw/zinc/48/66/67/621486667.db2.gz LTFTYXCPIGKQEP-UHFFFAOYSA-N 1 0 320.452 3.311 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000754727805 621528484 /nfs/dbraw/zinc/52/84/84/621528484.db2.gz QKNJHAWSHFBOCE-IBGZPJMESA-N 1 0 310.441 3.498 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1O ZINC000754739756 621530115 /nfs/dbraw/zinc/53/01/15/621530115.db2.gz OBYUSXPSDKLDCI-MRXNPFEDSA-N 1 0 315.417 3.088 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC3(CCOCC3)C2)c1O ZINC000754742721 621530255 /nfs/dbraw/zinc/53/02/55/621530255.db2.gz YALWEIMUZAJUIK-UHFFFAOYSA-N 1 0 305.418 3.102 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)Cc2ccccc2O)cc1F ZINC000862227447 621563678 /nfs/dbraw/zinc/56/36/78/621563678.db2.gz BQDVMNGFKLREQE-UHFFFAOYSA-N 1 0 306.356 3.368 20 10 DGCDRO CCOC(=O)c1[nH]c(C)c(C[N@H+](C)Cc2ccccc2O)c1C ZINC000862228019 621563950 /nfs/dbraw/zinc/56/39/50/621563950.db2.gz KUDIHJZMZPQAKE-UHFFFAOYSA-N 1 0 316.401 3.146 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@@]3(C)CCCS3)CC2)cc1F ZINC000862251695 621568008 /nfs/dbraw/zinc/56/80/08/621568008.db2.gz LKPKCQVQSBXTLB-QGZVFWFLSA-N 1 0 324.465 3.242 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000862253099 621568174 /nfs/dbraw/zinc/56/81/74/621568174.db2.gz IQZWHLUSIDGSKW-KBPBESRZSA-N 1 0 324.415 3.279 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC(F)(F)C1 ZINC000862273250 621570089 /nfs/dbraw/zinc/57/00/89/621570089.db2.gz VMDIFXUYHGVILI-CYBMUJFWSA-N 1 0 310.388 3.047 20 10 DGCDRO Cc1nc(C)c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000862273407 621570511 /nfs/dbraw/zinc/57/05/11/621570511.db2.gz GVSVZEPORZNWHT-UHFFFAOYSA-N 1 0 317.458 3.134 20 10 DGCDRO COCC1(C)CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862302996 621573712 /nfs/dbraw/zinc/57/37/12/621573712.db2.gz HCIVZKTWSORXCR-UHFFFAOYSA-N 1 0 312.404 3.279 20 10 DGCDRO CN(C)c1cc(F)c(C[NH+]2CCC3(CCOCC3)CC2)cc1F ZINC000862359068 621577946 /nfs/dbraw/zinc/57/79/46/621577946.db2.gz BIKMSGHZTQHLON-UHFFFAOYSA-N 1 0 324.415 3.423 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C[C@@H]1C ZINC000862386625 621582411 /nfs/dbraw/zinc/58/24/11/621582411.db2.gz WGROTKIENJMQOO-IINYFYTJSA-N 1 0 314.223 3.012 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C[C@H]1C ZINC000862386626 621582434 /nfs/dbraw/zinc/58/24/34/621582434.db2.gz WGROTKIENJMQOO-QMTHXVAHSA-N 1 0 314.223 3.012 20 10 DGCDRO COCCC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862436479 621589307 /nfs/dbraw/zinc/58/93/07/621589307.db2.gz GDCCGLJVIGGLBR-UHFFFAOYSA-N 1 0 312.404 3.279 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)c2ccc(C)cn2)c1 ZINC000862481154 621593316 /nfs/dbraw/zinc/59/33/16/621593316.db2.gz UBRFOBLDXOVHAJ-UHFFFAOYSA-N 1 0 300.402 3.172 20 10 DGCDRO CC(C)CCOCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000755943559 621605443 /nfs/dbraw/zinc/60/54/43/621605443.db2.gz LJPGHLNNFJTVEA-GOSISDBHSA-N 1 0 321.461 3.436 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c(O)c1C ZINC000756353466 621630216 /nfs/dbraw/zinc/63/02/16/621630216.db2.gz ZQACBUGPNHCILA-HUUCEWRRSA-N 1 0 313.397 3.500 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cc(Cl)ccc1O ZINC000756396758 621635132 /nfs/dbraw/zinc/63/51/32/621635132.db2.gz JZTLUIIYICIXTO-GXTWGEPZSA-N 1 0 321.804 3.136 20 10 DGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(F)ccc1O ZINC000756460836 621640092 /nfs/dbraw/zinc/64/00/92/621640092.db2.gz UIRHEQNVTUYNLI-DZGCQCFKSA-N 1 0 303.377 3.033 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c(O)c1C ZINC000756475896 621640705 /nfs/dbraw/zinc/64/07/05/621640705.db2.gz PKLJIUOGZCNRNE-HOTGVXAUSA-N 1 0 324.424 3.465 20 10 DGCDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756496435 621641925 /nfs/dbraw/zinc/64/19/25/621641925.db2.gz HKXQPQACAUMWPP-ZYHUDNBSSA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc2c(cc1O)CCCC2 ZINC000756495482 621642220 /nfs/dbraw/zinc/64/22/20/621642220.db2.gz RQCDGMGXXGPOFJ-UONOGXRCSA-N 1 0 311.429 3.343 20 10 DGCDRO COCCOCCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756516181 621644432 /nfs/dbraw/zinc/64/44/32/621644432.db2.gz IDFMMVCXTKQPAU-TZMCWYRMSA-N 1 0 311.397 3.112 20 10 DGCDRO COCCOCCCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756517964 621644539 /nfs/dbraw/zinc/64/45/39/621644539.db2.gz RNPJBDKHXOERHA-LBPRGKRZSA-N 1 0 301.814 3.139 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCCc2cnn(C)c2)c2c1c(F)ccc2O ZINC000756525455 621644973 /nfs/dbraw/zinc/64/49/73/621644973.db2.gz BTVFLBCGJDALPP-FZMZJTMJSA-N 1 0 303.381 3.036 20 10 DGCDRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000756562083 621649228 /nfs/dbraw/zinc/64/92/28/621649228.db2.gz FTZAGCLPUXMWPZ-LSDHHAIUSA-N 1 0 315.413 3.249 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)[nH]n1 ZINC000756587070 621651217 /nfs/dbraw/zinc/65/12/17/621651217.db2.gz YWEAOAUKYSZORS-SECBINFHSA-N 1 0 310.195 3.037 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c2c1c(F)ccc2O ZINC000756606988 621652149 /nfs/dbraw/zinc/65/21/49/621652149.db2.gz LPTYKOQGTVYNRC-JQWIXIFHSA-N 1 0 309.381 3.401 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCNc2ccccn2)c2c1c(F)ccc2O ZINC000756604878 621652398 /nfs/dbraw/zinc/65/23/98/621652398.db2.gz GVBUVLHJDWCEQP-AAEUAGOBSA-N 1 0 301.365 3.176 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccccc2)c2c1c(F)ccc2O ZINC000756633002 621654740 /nfs/dbraw/zinc/65/47/40/621654740.db2.gz GKGHMPKXOXYLFR-XPKDYRNWSA-N 1 0 315.388 3.445 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(N(C)C)CCSC2)c2c1c(F)ccc2O ZINC000756638598 621654752 /nfs/dbraw/zinc/65/47/52/621654752.db2.gz UWZGVILSYBXIRJ-BTJLNZGRSA-N 1 0 324.465 3.107 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2O ZINC000756641362 621655171 /nfs/dbraw/zinc/65/51/71/621655171.db2.gz VBKBWIPSKXSEFO-LFTYMFRLSA-N 1 0 313.372 3.328 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c2c1c(F)ccc2O ZINC000756644440 621655728 /nfs/dbraw/zinc/65/57/28/621655728.db2.gz AGGLJAWMJFRHEW-FDRIWYBQSA-N 1 0 304.409 3.152 20 10 DGCDRO CC(C)[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(=O)N1CCCC1 ZINC000756705664 621658906 /nfs/dbraw/zinc/65/89/06/621658906.db2.gz NFCOWYIJZHJCBV-WBMJQRKESA-N 1 0 324.852 3.343 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000756707570 621659519 /nfs/dbraw/zinc/65/95/19/621659519.db2.gz JJZPXMCZXNIMHJ-ZDUSSCGKSA-N 1 0 316.357 3.338 20 10 DGCDRO CCn1cnnc1CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000756732786 621661424 /nfs/dbraw/zinc/66/14/24/621661424.db2.gz LYGCBQHMCIYAKI-CYBMUJFWSA-N 1 0 310.401 3.050 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c(O)c1C ZINC000756741489 621661818 /nfs/dbraw/zinc/66/18/18/621661818.db2.gz FTJNUSDHKUXAEY-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO Cc1cccc(NCC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000756746188 621662225 /nfs/dbraw/zinc/66/22/25/621662225.db2.gz IOEKDYMBGDHKQB-FZMZJTMJSA-N 1 0 315.392 3.485 20 10 DGCDRO Cc1cccc(NCC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000756746195 621662252 /nfs/dbraw/zinc/66/22/52/621662252.db2.gz IOEKDYMBGDHKQB-RISCZKNCSA-N 1 0 315.392 3.485 20 10 DGCDRO C[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1cc(F)ccc1O ZINC000756756967 621662456 /nfs/dbraw/zinc/66/24/56/621662456.db2.gz ASUJKEMUWOOWLQ-JSGCOSHPSA-N 1 0 317.360 3.412 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@H]2O)c1 ZINC000756761993 621662564 /nfs/dbraw/zinc/66/25/64/621662564.db2.gz WOFLTMWNVILBSH-GRDNDAEWSA-N 1 0 307.434 3.383 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000756774377 621663854 /nfs/dbraw/zinc/66/38/54/621663854.db2.gz CKSOZRDQFXFGEC-GWCFXTLKSA-N 1 0 317.351 3.235 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)ncn1 ZINC000756777096 621663991 /nfs/dbraw/zinc/66/39/91/621663991.db2.gz UTZTXHSARCUCGW-JTQLQIEISA-N 1 0 322.206 3.104 20 10 DGCDRO CCc1nnc([C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)[nH]1 ZINC000756778228 621664249 /nfs/dbraw/zinc/66/42/49/621664249.db2.gz NLBBEFSGYKHZIC-ATZCPNFKSA-N 1 0 304.369 3.111 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)c2c1c(F)ccc2O ZINC000756785952 621664289 /nfs/dbraw/zinc/66/42/89/621664289.db2.gz HCVLLGGNJFRMRW-BZPMIXESSA-N 1 0 321.392 3.355 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000806141205 621697708 /nfs/dbraw/zinc/69/77/08/621697708.db2.gz QHADYTIHOYDHAE-UKRRQHHQSA-N 1 0 316.367 3.261 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)C[N@H+](C)C1CCC1 ZINC000863912541 621718153 /nfs/dbraw/zinc/71/81/53/621718153.db2.gz IVUPSRXUHJUGQE-UHFFFAOYSA-N 1 0 304.434 3.005 20 10 DGCDRO C[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757659423 621731883 /nfs/dbraw/zinc/73/18/83/621731883.db2.gz XUINIBASHUJOIU-KBPBESRZSA-N 1 0 321.421 3.216 20 10 DGCDRO C[C@H]([NH2+]C1COC(C)(C)OC1)c1cc2c(cc1O)CCCC2 ZINC000757698279 621734053 /nfs/dbraw/zinc/73/40/53/621734053.db2.gz OONNBBUKGYFCBV-LBPRGKRZSA-N 1 0 305.418 3.073 20 10 DGCDRO COc1cccc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1O ZINC000758062559 621756164 /nfs/dbraw/zinc/75/61/64/621756164.db2.gz KTEYCFWGGSGZKW-QGZVFWFLSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1O ZINC000758288846 621773357 /nfs/dbraw/zinc/77/33/57/621773357.db2.gz GDESETPCOCBVFN-SFHVURJKSA-N 1 0 319.445 3.490 20 10 DGCDRO CCOc1ccc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c(O)c1 ZINC000758498108 621785370 /nfs/dbraw/zinc/78/53/70/621785370.db2.gz HPYGNWGEXNQWFG-KRWDZBQOSA-N 1 0 307.434 3.476 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000758529662 621786725 /nfs/dbraw/zinc/78/67/25/621786725.db2.gz QOYIGPLBBMDPAP-HKUYNNGSSA-N 1 0 315.388 3.096 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCOCC3(CCC3)C1)CCCC2 ZINC000758974375 621815725 /nfs/dbraw/zinc/81/57/25/621815725.db2.gz PZVQLAQXIJOUJI-UHFFFAOYSA-N 1 0 301.430 3.274 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C[C@H]1n1ccnc1 ZINC000759156662 621829998 /nfs/dbraw/zinc/82/99/98/621829998.db2.gz HJDKUIGLUGDTQF-RDTXWAMCSA-N 1 0 322.412 3.220 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000760156354 621918535 /nfs/dbraw/zinc/91/85/35/621918535.db2.gz FTVFRFCLOCEVOY-KZNAEPCWSA-N 1 0 300.446 3.108 20 10 DGCDRO Fc1cc(C[NH2+][C@@]23C[C@@H]2CCCC3)ccc1N1CCOCC1 ZINC000865704561 621980687 /nfs/dbraw/zinc/98/06/87/621980687.db2.gz VNTMUWHKGJJLOJ-YJBOKZPZSA-N 1 0 304.409 3.085 20 10 DGCDRO COc1cccc(O)c1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000865726959 621984653 /nfs/dbraw/zinc/98/46/53/621984653.db2.gz XAUOEISDNMORFC-QGZVFWFLSA-N 1 0 305.418 3.230 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2cccc(C)n2)c1O ZINC000761200927 621993866 /nfs/dbraw/zinc/99/38/66/621993866.db2.gz AOEGYWKRBDCJOQ-UHFFFAOYSA-N 1 0 306.793 3.390 20 10 DGCDRO CN(Cc1cccc(F)c1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222828 621995736 /nfs/dbraw/zinc/99/57/36/621995736.db2.gz NDKNBZIQMSSEFN-UHFFFAOYSA-N 1 0 318.392 3.108 20 10 DGCDRO COc1cccc(C[NH2+]C[C@H]2CCN2C2CCCCCC2)c1O ZINC000865804628 621997937 /nfs/dbraw/zinc/99/79/37/621997937.db2.gz CPXQPAGAPIMKNE-QGZVFWFLSA-N 1 0 318.461 3.288 20 10 DGCDRO CC(C)(C)c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000865814018 621999853 /nfs/dbraw/zinc/99/98/53/621999853.db2.gz FOWCVNFWLDDLRN-UHFFFAOYSA-N 1 0 303.358 3.301 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)c(O)c1C ZINC000866424793 622115827 /nfs/dbraw/zinc/11/58/27/622115827.db2.gz HFPZRCWEPDAZMG-WFASDCNBSA-N 1 0 307.434 3.449 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000866465211 622122949 /nfs/dbraw/zinc/12/29/49/622122949.db2.gz PQIQMOAMOVPCGM-WDMOLILDSA-N 1 0 304.356 3.105 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1O ZINC000866513114 622130352 /nfs/dbraw/zinc/13/03/52/622130352.db2.gz RMRFDZGQLKTSMK-RVSPLBMKSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000866525196 622132051 /nfs/dbraw/zinc/13/20/51/622132051.db2.gz PJGVYTQBYSDZEK-RWMBFGLXSA-N 1 0 321.417 3.172 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccccc1O ZINC000866533742 622133902 /nfs/dbraw/zinc/13/39/02/622133902.db2.gz VAHWVORBKSNPDO-ZBFHGGJFSA-N 1 0 305.418 3.019 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(F)cn2)cc1F ZINC000763519092 622149348 /nfs/dbraw/zinc/14/93/48/622149348.db2.gz OCRIWLQDSXGFBI-UHFFFAOYSA-N 1 0 305.372 3.496 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nccc32)c2c1c(F)ccc2O ZINC000866634499 622150831 /nfs/dbraw/zinc/15/08/31/622150831.db2.gz ROYHNIAZFLXLCE-RTXFEEFZSA-N 1 0 301.365 3.401 20 10 DGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000866635895 622151299 /nfs/dbraw/zinc/15/12/99/622151299.db2.gz UVBJAUKOUPYNKT-JFGNBEQYSA-N 1 0 316.239 3.355 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763671149 622157587 /nfs/dbraw/zinc/15/75/87/622157587.db2.gz JDSAJIHYSSFKTR-QGZVFWFLSA-N 1 0 316.445 3.059 20 10 DGCDRO CC(C)OC(=O)[C@@H](C)N(C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000121633915 622167590 /nfs/dbraw/zinc/16/75/90/622167590.db2.gz NSWZONTZPVEYLD-GFCCVEGCSA-N 1 0 323.433 3.167 20 10 DGCDRO CCC(CC)C[N@H+](CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000764193470 622183570 /nfs/dbraw/zinc/18/35/70/622183570.db2.gz UJFDDTJHDQUDSQ-UHFFFAOYSA-N 1 0 319.493 3.127 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](CC)[NH+](CC)CC ZINC000764228229 622184892 /nfs/dbraw/zinc/18/48/92/622184892.db2.gz WDWRFZYSXSOPBE-MRXNPFEDSA-N 1 0 306.450 3.251 20 10 DGCDRO COc1ccccc1OCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000764587812 622205585 /nfs/dbraw/zinc/20/55/85/622205585.db2.gz CDAFBNUZEYZDIE-HNNXBMFYSA-N 1 0 314.429 3.491 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000868108991 622214889 /nfs/dbraw/zinc/21/48/89/622214889.db2.gz BFYLBVOJVWCSJG-SJORKVTESA-N 1 0 318.461 3.251 20 10 DGCDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(N)cc1 ZINC000868162501 622220826 /nfs/dbraw/zinc/22/08/26/622220826.db2.gz IKHIGRSPBDEKBB-UHFFFAOYSA-N 1 0 318.465 3.101 20 10 DGCDRO CC[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)[NH+](CC)CC ZINC000764895874 622231069 /nfs/dbraw/zinc/23/10/69/622231069.db2.gz XFMWFOYUTAKECG-SFHVURJKSA-N 1 0 319.493 3.222 20 10 DGCDRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccccc1O)CC2 ZINC000765626483 622277817 /nfs/dbraw/zinc/27/78/17/622277817.db2.gz OBJZJTGFSZHJAW-UHFFFAOYSA-N 1 0 322.408 3.315 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765765013 622285973 /nfs/dbraw/zinc/28/59/73/622285973.db2.gz BWDSYVXHLVHPFM-GDBMZVCRSA-N 1 0 305.441 3.171 20 10 DGCDRO C[C@H]([NH2+]CC[S@](=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765905635 622293209 /nfs/dbraw/zinc/29/32/09/622293209.db2.gz AUZWCLNAMRGQLD-NYHFZMIOSA-N 1 0 316.470 3.211 20 10 DGCDRO C[C@@H]([NH2+]CC[S@@](=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765905633 622293321 /nfs/dbraw/zinc/29/33/21/622293321.db2.gz AUZWCLNAMRGQLD-IVZQSRNASA-N 1 0 316.470 3.211 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000766028782 622301162 /nfs/dbraw/zinc/30/11/62/622301162.db2.gz FXZWNZJQZSSGHB-HXUWFJFHSA-N 1 0 323.484 3.425 20 10 DGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000766360891 622324351 /nfs/dbraw/zinc/32/43/51/622324351.db2.gz OVVCGHOXEUUICE-HZPDHXFCSA-N 1 0 320.477 3.051 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCNc2ncccn2)cc1 ZINC000766515154 622335833 /nfs/dbraw/zinc/33/58/33/622335833.db2.gz AOFMBLYAJKVAEQ-HNNXBMFYSA-N 1 0 313.449 3.086 20 10 DGCDRO Cc1ccc(F)c(C[N@H+](C)Cc2cc3c(cc2O)OCO3)c1 ZINC000766634016 622343852 /nfs/dbraw/zinc/34/38/52/622343852.db2.gz XMHOMHKXWMCTNY-UHFFFAOYSA-N 1 0 303.333 3.200 20 10 DGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1c(O)cccc1OC)CCO2 ZINC000767188007 622381500 /nfs/dbraw/zinc/38/15/00/622381500.db2.gz DFSHCIKJUMWISN-HNNXBMFYSA-N 1 0 315.369 3.023 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000767930579 622428621 /nfs/dbraw/zinc/42/86/21/622428621.db2.gz WIXQJYGXFHDMAR-CQSZACIVSA-N 1 0 305.418 3.372 20 10 DGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000767930576 622428781 /nfs/dbraw/zinc/42/87/81/622428781.db2.gz WIXQJYGXFHDMAR-AWEZNQCLSA-N 1 0 305.418 3.372 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@H+](CC(N)=O)C(C)C)cc1 ZINC000768180337 622443709 /nfs/dbraw/zinc/44/37/09/622443709.db2.gz MUHDNTVENOPMFR-UHFFFAOYSA-N 1 0 305.466 3.009 20 10 DGCDRO COc1cccc(O)c1C[N@H+](C)CCOc1ccc(C)cc1 ZINC000768211768 622445618 /nfs/dbraw/zinc/44/56/18/622445618.db2.gz DEXDDNYORNSNCY-UHFFFAOYSA-N 1 0 301.386 3.220 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)c(O)c1 ZINC000768239703 622447019 /nfs/dbraw/zinc/44/70/19/622447019.db2.gz KNVMINRXVTXYQG-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000768257538 622447522 /nfs/dbraw/zinc/44/75/22/622447522.db2.gz LLWFSQIIZROHTF-UHFFFAOYSA-N 1 0 311.429 3.326 20 10 DGCDRO CCC[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768437838 622455747 /nfs/dbraw/zinc/45/57/47/622455747.db2.gz KFVWITPBUYYFHF-GOSISDBHSA-N 1 0 313.397 3.230 20 10 DGCDRO CC(C)[N@H+](Cc1cccs1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768442583 622456195 /nfs/dbraw/zinc/45/61/95/622456195.db2.gz MBKHAUQWXQQPIZ-MRXNPFEDSA-N 1 0 319.426 3.290 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](CC1CCCCC1)C1CC1)[C@H](O)CO2 ZINC000768446500 622456617 /nfs/dbraw/zinc/45/66/17/622456617.db2.gz YKIPGWXSZJDMPW-GOSISDBHSA-N 1 0 317.429 3.363 20 10 DGCDRO CCC[N@@H+](Cc1cc(OC)c(C)cc1O)C[C@H]1CCCCO1 ZINC000768452712 622457486 /nfs/dbraw/zinc/45/74/86/622457486.db2.gz RKPHMEBXBQTBTA-MRXNPFEDSA-N 1 0 307.434 3.490 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c1 ZINC000768459968 622457552 /nfs/dbraw/zinc/45/75/52/622457552.db2.gz IZIBTHSGMRYNSJ-UHFFFAOYSA-N 1 0 322.449 3.308 20 10 DGCDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463624 622457936 /nfs/dbraw/zinc/45/79/36/622457936.db2.gz KNAQKBBHTFTBLD-YOEHRIQHSA-N 1 0 305.418 3.219 20 10 DGCDRO CCC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768930807 622486092 /nfs/dbraw/zinc/48/60/92/622486092.db2.gz AWINVWLAGARPKO-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769103786 622498448 /nfs/dbraw/zinc/49/84/48/622498448.db2.gz SYWKBABLUTZWBP-AWEZNQCLSA-N 1 0 303.406 3.427 20 10 DGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3c(O)cccc3OC)C2)cc1 ZINC000769246270 622510445 /nfs/dbraw/zinc/51/04/45/622510445.db2.gz ZBNAAKMOZWNBQD-OAHLLOKOSA-N 1 0 313.397 3.399 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000769316365 622516732 /nfs/dbraw/zinc/51/67/32/622516732.db2.gz OETGOCNKTVTGHP-IBGZPJMESA-N 1 0 313.397 3.364 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870856881 622518921 /nfs/dbraw/zinc/51/89/21/622518921.db2.gz PBTXXFFMTRHWLX-QAQDUYKDSA-N 1 0 317.477 3.009 20 10 DGCDRO COC(=O)C1([N@H+](C)Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000769401500 622524782 /nfs/dbraw/zinc/52/47/82/622524782.db2.gz KEJOPLKCTIFDHY-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000769404048 622524967 /nfs/dbraw/zinc/52/49/67/622524967.db2.gz IECJKGCXROFWAK-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO C[C@H]1SCC[N@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000769447020 622528831 /nfs/dbraw/zinc/52/88/31/622528831.db2.gz RLYCYXKKQUFTJO-VHSXEESVSA-N 1 0 316.264 3.481 20 10 DGCDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469631 622530672 /nfs/dbraw/zinc/53/06/72/622530672.db2.gz BWQKSDHFBSWOHL-GDBMZVCRSA-N 1 0 307.457 3.196 20 10 DGCDRO CCOc1cccc(C[N@@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)c1O ZINC000769472912 622531516 /nfs/dbraw/zinc/53/15/16/622531516.db2.gz KRVJSMPDFOSTOR-JKSUJKDBSA-N 1 0 307.434 3.426 20 10 DGCDRO CCOc1ccc(C[N@@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)c(O)c1 ZINC000769474889 622531546 /nfs/dbraw/zinc/53/15/46/622531546.db2.gz SWQZKCDJXDMQJC-SJORKVTESA-N 1 0 307.434 3.426 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)c1 ZINC000769472941 622531586 /nfs/dbraw/zinc/53/15/86/622531586.db2.gz LGXBWMNMTFAVAM-IAGOWNOFSA-N 1 0 307.434 3.426 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000769478028 622531882 /nfs/dbraw/zinc/53/18/82/622531882.db2.gz CVXSVBVCKLJPQW-SJORKVTESA-N 1 0 319.468 3.340 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1F ZINC000769480282 622532411 /nfs/dbraw/zinc/53/24/11/622532411.db2.gz MJLPDWAWKQVXHX-UHFFFAOYSA-N 1 0 324.403 3.367 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCC(=O)OC(C)(C)C)cc1F ZINC000769497233 622534043 /nfs/dbraw/zinc/53/40/43/622534043.db2.gz AFKXDADYRCWLCL-UHFFFAOYSA-N 1 0 310.413 3.055 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)cc1F ZINC000769525313 622537791 /nfs/dbraw/zinc/53/77/91/622537791.db2.gz HIRCIJPQWHVHPH-SFHVURJKSA-N 1 0 322.424 3.057 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](COC(C)C)C2)cc1C(C)C ZINC000769805225 622562926 /nfs/dbraw/zinc/56/29/26/622562926.db2.gz WXIIDJAGSJIDHV-QGZVFWFLSA-N 1 0 321.461 3.450 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000770430149 622633338 /nfs/dbraw/zinc/63/33/38/622633338.db2.gz QNMDDKWQUYCVRM-LBPRGKRZSA-N 1 0 303.789 3.387 20 10 DGCDRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1O ZINC000770504551 622640219 /nfs/dbraw/zinc/64/02/19/622640219.db2.gz IZLISEHPMQFEJR-ZIAGYGMSSA-N 1 0 320.433 3.127 20 10 DGCDRO Oc1ccccc1C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000770509531 622640289 /nfs/dbraw/zinc/64/02/89/622640289.db2.gz NJKLYNRGRUWYLO-UHFFFAOYSA-N 1 0 319.408 3.263 20 10 DGCDRO C[N@H+](Cc1ccccc1O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000770511054 622641360 /nfs/dbraw/zinc/64/13/60/622641360.db2.gz XMKOZUGUWNQNST-UHFFFAOYSA-N 1 0 324.424 3.129 20 10 DGCDRO CC[C@@H]([NH2+]CCCSc1nccs1)[C@@H]1CCCOC1 ZINC000872038473 622767391 /nfs/dbraw/zinc/76/73/91/622767391.db2.gz NZCAHFKWFYOIHL-CHWSQXEVSA-N 1 0 300.493 3.420 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)c1 ZINC000872109599 622811380 /nfs/dbraw/zinc/81/13/80/622811380.db2.gz OWSSCFQSJREEEH-LLVKDONJSA-N 1 0 313.323 3.267 20 10 DGCDRO CC[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Cl)ccc1O ZINC000872112893 622814896 /nfs/dbraw/zinc/81/48/96/622814896.db2.gz LQJFAVNQJDQHGC-BXUZGUMPSA-N 1 0 311.809 3.430 20 10 DGCDRO CCOc1ccc(C[N@H+](C)CCOc2ccccc2)c(O)c1 ZINC000771932028 622818067 /nfs/dbraw/zinc/81/80/67/622818067.db2.gz SVVWDNCLMIVNDE-UHFFFAOYSA-N 1 0 301.386 3.302 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](C3CCC3)CC1)[C@H](O)CO2 ZINC000872701364 622956036 /nfs/dbraw/zinc/95/60/36/622956036.db2.gz WBJHNASPRZKZRX-KBXCAEBGSA-N 1 0 317.429 3.220 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCc2nc(C)no2)cc1 ZINC000772958425 622957704 /nfs/dbraw/zinc/95/77/04/622957704.db2.gz GOQPRPAYELNBIV-CYBMUJFWSA-N 1 0 302.422 3.118 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772979833 622960072 /nfs/dbraw/zinc/96/00/72/622960072.db2.gz XABGCZXBIISTJB-UKRRQHHQSA-N 1 0 306.425 3.359 20 10 DGCDRO C[C@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000773015618 622968262 /nfs/dbraw/zinc/96/82/62/622968262.db2.gz QUNLFWKUBAHKLI-INIZCTEOSA-N 1 0 317.477 3.196 20 10 DGCDRO C[C@@H](CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)[S@](C)=O ZINC000773063371 622975358 /nfs/dbraw/zinc/97/53/58/622975358.db2.gz IIENSVAOXGTEDV-WCJKSRRJSA-N 1 0 322.518 3.485 20 10 DGCDRO C[C@H]([NH2+]CCN1CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000773095364 622982724 /nfs/dbraw/zinc/98/27/24/622982724.db2.gz RTHUVMBGEPXYKU-KRWDZBQOSA-N 1 0 301.478 3.423 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000773103837 622984116 /nfs/dbraw/zinc/98/41/16/622984116.db2.gz LTIIGNWMGMEGLJ-MAUKXSAKSA-N 1 0 302.462 3.489 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000872813294 622984083 /nfs/dbraw/zinc/98/40/83/622984083.db2.gz JHCCCNSSOLXVPQ-ZDUSSCGKSA-N 1 0 303.324 3.162 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773115858 622986679 /nfs/dbraw/zinc/98/66/79/622986679.db2.gz AITPMOKSFVZDHK-KGLIPLIRSA-N 1 0 317.408 3.402 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1Cn1cccn1 ZINC000873130788 623044169 /nfs/dbraw/zinc/04/41/69/623044169.db2.gz KWDXZNDEMUQSIP-NJAFHUGGSA-N 1 0 311.429 3.218 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H]2CC2(F)F)cc1Cn1cccn1 ZINC000873139380 623047329 /nfs/dbraw/zinc/04/73/29/623047329.db2.gz AMJBPVZEEBUDSN-OAHLLOKOSA-N 1 0 321.371 3.075 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1C ZINC000873146771 623049956 /nfs/dbraw/zinc/04/99/56/623049956.db2.gz OEEKEHOJQARQAN-KRWDZBQOSA-N 1 0 316.445 3.027 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCC[C@@H]2CCOC2=O)cc1F ZINC000873161992 623058598 /nfs/dbraw/zinc/05/85/98/623058598.db2.gz ZRGOZOWSARZJSX-OAHLLOKOSA-N 1 0 322.424 3.105 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000873179513 623064296 /nfs/dbraw/zinc/06/42/96/623064296.db2.gz KWZFBBRAMRHKLM-INIZCTEOSA-N 1 0 305.805 3.047 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](CC)[C@@H](O)c2ccccc2)c1O ZINC000873193810 623069603 /nfs/dbraw/zinc/06/96/03/623069603.db2.gz ONIRJUYPATVGIR-AEFFLSMTSA-N 1 0 315.413 3.393 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)cc1 ZINC000773832931 623075787 /nfs/dbraw/zinc/07/57/87/623075787.db2.gz TUUDWEOKEIEILP-GOSISDBHSA-N 1 0 302.393 3.105 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@H](CO)c2cccc(F)c2)cc1 ZINC000773832933 623075874 /nfs/dbraw/zinc/07/58/74/623075874.db2.gz TUUDWEOKEIEILP-SFHVURJKSA-N 1 0 302.393 3.105 20 10 DGCDRO Nc1cnc(C[N@H+](Cc2ccccc2O)C2CCCCC2)cn1 ZINC000873208766 623076152 /nfs/dbraw/zinc/07/61/52/623076152.db2.gz GMXKSLFKRVVKJS-UHFFFAOYSA-N 1 0 312.417 3.099 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232624 623085232 /nfs/dbraw/zinc/08/52/32/623085232.db2.gz JEVICFLSOZGGLP-HNNXBMFYSA-N 1 0 308.853 3.448 20 10 DGCDRO CCOC1CC(O)(C[NH2+][C@@H](CC)c2cc(Cl)ccc2O)C1 ZINC000774486950 623152141 /nfs/dbraw/zinc/15/21/41/623152141.db2.gz JYYYEJHADINZPE-UGWHAMFMSA-N 1 0 313.825 3.016 20 10 DGCDRO COc1cc(C[N@@H+]2CCOCC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000774660568 623172701 /nfs/dbraw/zinc/17/27/01/623172701.db2.gz ORHDPNRFZNQFJO-CYBMUJFWSA-N 1 0 307.434 3.309 20 10 DGCDRO COc1c([O-])c(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836647 623197162 /nfs/dbraw/zinc/19/71/62/623197162.db2.gz UDDUOTWLWUGDRA-YPMHNXCESA-N 1 0 308.378 3.320 20 10 DGCDRO COc1c(O)c(C[N@H+]2CC=C(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774912436 623208182 /nfs/dbraw/zinc/20/81/82/623208182.db2.gz BLJJNUXKBQIORU-UHFFFAOYSA-N 1 0 320.389 3.487 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1c2ccccc2C[C@H]1C ZINC000775128392 623234240 /nfs/dbraw/zinc/23/42/40/623234240.db2.gz ASEAHWLHCRWWMA-ILXRZTDVSA-N 1 0 324.424 3.409 20 10 DGCDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000775184922 623239319 /nfs/dbraw/zinc/23/93/19/623239319.db2.gz UBCGCVVOKBSHEZ-GOSISDBHSA-N 1 0 305.418 3.398 20 10 DGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(OCC)cc1O)C(C)C ZINC000775373949 623261292 /nfs/dbraw/zinc/26/12/92/623261292.db2.gz FNIZOZGLLOJZJD-GOSISDBHSA-N 1 0 323.433 3.248 20 10 DGCDRO COC(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)o1 ZINC000775369842 623261418 /nfs/dbraw/zinc/26/14/18/623261418.db2.gz SQNUJLQVHCYTAR-GHMZBOCLSA-N 1 0 319.357 3.192 20 10 DGCDRO CC(C)[NH+]1CCC(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775409440 623270690 /nfs/dbraw/zinc/27/06/90/623270690.db2.gz FVPOVYSYQHVMPC-OAHLLOKOSA-N 1 0 317.477 3.050 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccccc1O ZINC000775414084 623271584 /nfs/dbraw/zinc/27/15/84/623271584.db2.gz KWYIIADDHDZJAW-KRWDZBQOSA-N 1 0 312.413 3.335 20 10 DGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775488555 623279661 /nfs/dbraw/zinc/27/96/61/623279661.db2.gz IXKGPXXSJCDUEZ-RISCZKNCSA-N 1 0 312.841 3.391 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(OCCOC)nc1)c1ccccc1O ZINC000775488644 623280213 /nfs/dbraw/zinc/28/02/13/623280213.db2.gz PVFAPVRZVYKUNA-MRXNPFEDSA-N 1 0 316.401 3.053 20 10 DGCDRO CC[C@H]([NH2+]CCCN1CCCCC1=O)c1cc(Cl)ccc1O ZINC000775502872 623281724 /nfs/dbraw/zinc/28/17/24/623281724.db2.gz XKJQSRXPBJHFET-HNNXBMFYSA-N 1 0 324.852 3.489 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CCO)CSC)c1cc(Cl)ccc1O ZINC000775509693 623282179 /nfs/dbraw/zinc/28/21/79/623282179.db2.gz PCVUEAFJFDQAQZ-WCQYABFASA-N 1 0 303.855 3.200 20 10 DGCDRO CC[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000775507395 623282211 /nfs/dbraw/zinc/28/22/11/623282211.db2.gz MCIYJUZOTLDZIB-ZFWWWQNUSA-N 1 0 313.825 3.282 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cccc(C)c2O)cc1OC ZINC000775642104 623301357 /nfs/dbraw/zinc/30/13/57/623301357.db2.gz GFWNTLVGZDDUON-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO Cc1ccccc1CN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000775646847 623303610 /nfs/dbraw/zinc/30/36/10/623303610.db2.gz PAIMPSZRKBAJGZ-UHFFFAOYSA-N 1 0 310.441 3.327 20 10 DGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC000775717911 623318049 /nfs/dbraw/zinc/31/80/49/623318049.db2.gz VFJASADHGZFLGW-ABAIWWIYSA-N 1 0 314.832 3.347 20 10 DGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775716686 623318340 /nfs/dbraw/zinc/31/83/40/623318340.db2.gz ZTODSCGMCCKIFV-RISCZKNCSA-N 1 0 314.832 3.489 20 10 DGCDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775831439 623338328 /nfs/dbraw/zinc/33/83/28/623338328.db2.gz SCJOVOUYVWQZBW-AWEZNQCLSA-N 1 0 312.413 3.390 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775830136 623338627 /nfs/dbraw/zinc/33/86/27/623338627.db2.gz DDMQDOOGKTUMIQ-OAHLLOKOSA-N 1 0 317.477 3.100 20 10 DGCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)oc1C ZINC000775832288 623338836 /nfs/dbraw/zinc/33/88/36/623338836.db2.gz XZUTUWMMOLJSRM-GFCCVEGCSA-N 1 0 316.401 3.291 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000775835399 623339582 /nfs/dbraw/zinc/33/95/82/623339582.db2.gz YBLISCHSOYAJIX-ISXOHVOVSA-N 1 0 317.477 3.098 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCOCC3(CCCC3)C2)c1O ZINC000775850270 623341424 /nfs/dbraw/zinc/34/14/24/623341424.db2.gz VIOZRZGATHHQEL-UHFFFAOYSA-N 1 0 321.392 3.127 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CCOCC1 ZINC000776029039 623367412 /nfs/dbraw/zinc/36/74/12/623367412.db2.gz UTISJPQFNYYKIO-MRXNPFEDSA-N 1 0 309.381 3.029 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2ccc3ccccc3n2)cc1OC ZINC000776086308 623374153 /nfs/dbraw/zinc/37/41/53/623374153.db2.gz FHAUEGFQIYQHNF-UHFFFAOYSA-N 1 0 324.380 3.247 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccc1N(C)C ZINC000776163399 623385999 /nfs/dbraw/zinc/38/59/99/623385999.db2.gz AOEHKTQNGPCXEB-QXAKKESOSA-N 1 0 314.473 3.498 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC000776165417 623387122 /nfs/dbraw/zinc/38/71/22/623387122.db2.gz QQQGTHORBUNUHJ-MSOLQXFVSA-N 1 0 302.462 3.498 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1OC ZINC000776174550 623390225 /nfs/dbraw/zinc/39/02/25/623390225.db2.gz FKFMGALWHBEZLI-UMVBOHGHSA-N 1 0 305.418 3.468 20 10 DGCDRO c1ccc2c(c1)CC(C[NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000776175645 623390682 /nfs/dbraw/zinc/39/06/82/623390682.db2.gz WBXMWTRTWWTYMQ-UHFFFAOYSA-N 1 0 322.452 3.028 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1OC ZINC000776174551 623390857 /nfs/dbraw/zinc/39/08/57/623390857.db2.gz FKFMGALWHBEZLI-VNHYZAJKSA-N 1 0 305.418 3.468 20 10 DGCDRO CCc1cnccc1[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776257606 623402547 /nfs/dbraw/zinc/40/25/47/623402547.db2.gz YYYOYEGNWDDDAG-LBPRGKRZSA-N 1 0 316.401 3.218 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1C ZINC000776765976 623460754 /nfs/dbraw/zinc/46/07/54/623460754.db2.gz MXURVRPTKTXAMD-LJQANCHMSA-N 1 0 315.388 3.242 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000777012298 623485783 /nfs/dbraw/zinc/48/57/83/623485783.db2.gz PCYBNDGKFMKGFQ-ZIAGYGMSSA-N 1 0 304.356 3.371 20 10 DGCDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000777149495 623500711 /nfs/dbraw/zinc/50/07/11/623500711.db2.gz OFAYZYYPTMGXNF-ZDUSSCGKSA-N 1 0 304.409 3.256 20 10 DGCDRO COCCCOc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000125864544 623577586 /nfs/dbraw/zinc/57/75/86/623577586.db2.gz XHWGNJUPLCFQKR-UHFFFAOYSA-N 1 0 315.413 3.406 20 10 DGCDRO C[N@H+](Cc1cccs1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876534191 623636209 /nfs/dbraw/zinc/63/62/09/623636209.db2.gz PHJJMILTTKUQGJ-UHFFFAOYSA-N 1 0 316.470 3.341 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000876583378 623650797 /nfs/dbraw/zinc/65/07/97/623650797.db2.gz JSNXLQBERKMKTC-UHFFFAOYSA-N 1 0 320.433 3.190 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000876652316 623670352 /nfs/dbraw/zinc/67/03/52/623670352.db2.gz ARNRBHGBRPSUFL-AWEZNQCLSA-N 1 0 320.433 3.047 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000876682982 623681503 /nfs/dbraw/zinc/68/15/03/623681503.db2.gz QBTIYUAPWLBPAF-SFHVURJKSA-N 1 0 301.361 3.413 20 10 DGCDRO Cc1ccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c(O)c1 ZINC000876753544 623697823 /nfs/dbraw/zinc/69/78/23/623697823.db2.gz HDDAHOJAGDNCCC-UHFFFAOYSA-N 1 0 308.422 3.047 20 10 DGCDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876782624 623705262 /nfs/dbraw/zinc/70/52/62/623705262.db2.gz RABPJNMYGZGPPK-IBGZPJMESA-N 1 0 302.462 3.270 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)CN1Cc1ccccc1 ZINC000779020830 623722023 /nfs/dbraw/zinc/72/20/23/623722023.db2.gz TZOSVQYUXDSHTM-SJORKVTESA-N 1 0 310.441 3.487 20 10 DGCDRO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000779019321 623722093 /nfs/dbraw/zinc/72/20/93/623722093.db2.gz SHOXWYMMJGRBBF-OKILXGFUSA-N 1 0 320.433 3.222 20 10 DGCDRO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1ccccc1O ZINC000779034578 623723756 /nfs/dbraw/zinc/72/37/56/623723756.db2.gz YOGUSDQNJYHDSE-IAGOWNOFSA-N 1 0 317.429 3.336 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccn(C)n2)c1O ZINC000779040452 623724194 /nfs/dbraw/zinc/72/41/94/623724194.db2.gz IWMWLBIDOXTHOR-SNVBAGLBSA-N 1 0 324.222 3.047 20 10 DGCDRO Cc1cccc(O)c1CNc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000876837360 623724415 /nfs/dbraw/zinc/72/44/15/623724415.db2.gz DJEQLVUJUJWYBE-UHFFFAOYSA-N 1 0 311.429 3.065 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CCN1CCCc2ccccc21 ZINC000779057692 623725694 /nfs/dbraw/zinc/72/56/94/623725694.db2.gz CQNCIJOPOXBWFK-UHFFFAOYSA-N 1 0 300.377 3.074 20 10 DGCDRO Cc1ccc(CNc2cccc(OCC[NH+](C)C)c2)c(O)c1 ZINC000876842494 623726244 /nfs/dbraw/zinc/72/62/44/623726244.db2.gz IQEFEICTKOVZBL-UHFFFAOYSA-N 1 0 300.402 3.253 20 10 DGCDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000779073001 623727636 /nfs/dbraw/zinc/72/76/36/623727636.db2.gz NCQPGLCHELWRMP-UWVGGRQHSA-N 1 0 302.212 3.230 20 10 DGCDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(C)cc2O)N(C)C)c1 ZINC000876886031 623735922 /nfs/dbraw/zinc/73/59/22/623735922.db2.gz SYQJEPPWJGDINI-GOSISDBHSA-N 1 0 314.429 3.102 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c(O)c1 ZINC000876888672 623736958 /nfs/dbraw/zinc/73/69/58/623736958.db2.gz UUYLFLOCJVUZHS-MRXNPFEDSA-N 1 0 300.402 3.220 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000876928893 623746695 /nfs/dbraw/zinc/74/66/95/623746695.db2.gz QGRNPBBZDOLHNA-UHFFFAOYSA-N 1 0 310.397 3.117 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2O)c(OC)c1OC ZINC000876943699 623750986 /nfs/dbraw/zinc/75/09/86/623750986.db2.gz HPHPANHAGKPMIG-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000876956684 623753809 /nfs/dbraw/zinc/75/38/09/623753809.db2.gz NZEPDOXOYNVSCL-UHFFFAOYSA-N 1 0 324.424 3.113 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)c1nnc2n1CCCCC2 ZINC000876995083 623762890 /nfs/dbraw/zinc/76/28/90/623762890.db2.gz ABXBAHPMTMGOFH-HNNXBMFYSA-N 1 0 314.433 3.259 20 10 DGCDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876995250 623763058 /nfs/dbraw/zinc/76/30/58/623763058.db2.gz CPPSDJMZDLQGLP-YEJXKQKISA-N 1 0 311.362 3.434 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C3(c4ccccc4)CC3)cc2)CC1 ZINC000877009976 623764987 /nfs/dbraw/zinc/76/49/87/623764987.db2.gz HFJSRXKCNZPFQF-UHFFFAOYSA-N 1 0 322.452 3.427 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc(OC(C)C)c2)c(O)c1 ZINC000877034978 623771582 /nfs/dbraw/zinc/77/15/82/623771582.db2.gz AJRXQYHYQFLFRD-IBGZPJMESA-N 1 0 315.413 3.311 20 10 DGCDRO COC(=O)Nc1ccc(CC[NH2+]Cc2c(C)cccc2O)cc1 ZINC000877062142 623779895 /nfs/dbraw/zinc/77/98/95/623779895.db2.gz YXAPZBZKQFPFLS-UHFFFAOYSA-N 1 0 314.385 3.211 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC4CCC3CC4)cc2)CC1 ZINC000877089181 623789191 /nfs/dbraw/zinc/78/91/91/623789191.db2.gz LGSJLPBRRGVWIT-MKJPBZQASA-N 1 0 314.473 3.316 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000877088198 623789209 /nfs/dbraw/zinc/78/92/09/623789209.db2.gz CUHDGWXGTIWCIW-HNNXBMFYSA-N 1 0 324.415 3.315 20 10 DGCDRO Cc1ccc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)c(O)c1 ZINC000877111978 623792989 /nfs/dbraw/zinc/79/29/89/623792989.db2.gz PTGYOZXFKWTMEW-UHFFFAOYSA-N 1 0 322.412 3.306 20 10 DGCDRO Cc1ccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c(O)c1 ZINC000877380715 623863279 /nfs/dbraw/zinc/86/32/79/623863279.db2.gz SAYNNURZZHRHPJ-CQSZACIVSA-N 1 0 317.458 3.036 20 10 DGCDRO Cc1ccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(O)c1 ZINC000877389574 623866668 /nfs/dbraw/zinc/86/66/68/623866668.db2.gz DLPHIMPSLWNSDX-HNNXBMFYSA-N 1 0 317.351 3.226 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC000877458808 623892128 /nfs/dbraw/zinc/89/21/28/623892128.db2.gz DHRXFDMUEILYNS-DZGCQCFKSA-N 1 0 317.351 3.274 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2)c(O)c1 ZINC000877493829 623910221 /nfs/dbraw/zinc/91/02/21/623910221.db2.gz PDDBSXZVMRTFKC-ACJLOTCBSA-N 1 0 301.386 3.267 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000877525450 623924833 /nfs/dbraw/zinc/92/48/33/623924833.db2.gz DBFCYMKVZZJZHR-CYBMUJFWSA-N 1 0 310.397 3.436 20 10 DGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531447 623927773 /nfs/dbraw/zinc/92/77/73/623927773.db2.gz MXCZQNMJGQPGOF-RDJZCZTQSA-N 1 0 302.462 3.411 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(O)c1 ZINC000877567322 623945090 /nfs/dbraw/zinc/94/50/90/623945090.db2.gz JGAPWKJDFIZVJR-SJORKVTESA-N 1 0 301.430 3.482 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3F)cc2)CC1 ZINC000877589247 623953305 /nfs/dbraw/zinc/95/33/05/623953305.db2.gz KBXICZMKCCNTJV-QZTJIDSGSA-N 1 0 306.425 3.018 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C)C2)c1O ZINC000780579103 623954065 /nfs/dbraw/zinc/95/40/65/623954065.db2.gz ZDSLEYZVHPIHME-SKDRFNHKSA-N 1 0 314.223 3.442 20 10 DGCDRO COC1(C(F)(F)F)CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877592335 623954311 /nfs/dbraw/zinc/95/43/11/623954311.db2.gz FVFGYYGCKFNBQB-UHFFFAOYSA-N 1 0 303.324 3.244 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C4CCC4)C3)cc2)CC1 ZINC000877592576 623954389 /nfs/dbraw/zinc/95/43/89/623954389.db2.gz IKQBDNMTRFUXSX-GOSISDBHSA-N 1 0 314.473 3.270 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(Cl)nn1 ZINC000877591754 623954474 /nfs/dbraw/zinc/95/44/74/623954474.db2.gz HWGUYRNQCYIEFY-ZDUSSCGKSA-N 1 0 318.852 3.225 20 10 DGCDRO CCOC1CC(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000877592409 623954675 /nfs/dbraw/zinc/95/46/75/623954675.db2.gz OTSZJZCWXDQNNI-LYGPFTKASA-N 1 0 304.478 3.397 20 10 DGCDRO CC1(C)[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(F)F ZINC000877635917 623971777 /nfs/dbraw/zinc/97/17/77/623971777.db2.gz HOVHRDJDQJSMNM-MRXNPFEDSA-N 1 0 324.415 3.029 20 10 DGCDRO CSC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000877663665 623983077 /nfs/dbraw/zinc/98/30/77/623983077.db2.gz XIXAXRBYTGPZAO-UHFFFAOYSA-N 1 0 300.418 3.358 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000877672382 623985924 /nfs/dbraw/zinc/98/59/24/623985924.db2.gz DBUJPXMLHMEFID-IRXDYDNUSA-N 1 0 313.397 3.099 20 10 DGCDRO CCOc1ccc(O)c(CN2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000877673643 623986586 /nfs/dbraw/zinc/98/65/86/623986586.db2.gz IZAHPSNIVYWIPV-UHFFFAOYSA-N 1 0 318.461 3.241 20 10 DGCDRO CC(=O)Nc1cccc2c1C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC000877681300 623988870 /nfs/dbraw/zinc/98/88/70/623988870.db2.gz IMSCHOOFNWVFLA-UHFFFAOYSA-N 1 0 314.360 3.048 20 10 DGCDRO CC(C)(C)OC(=O)NCC1(C[N@@H+]2Cc3cccc(O)c3C2)CC1 ZINC000877702544 623997346 /nfs/dbraw/zinc/99/73/46/623997346.db2.gz AQALCSJYJYCEQS-UHFFFAOYSA-N 1 0 318.417 3.013 20 10 DGCDRO COCCCOc1cccc(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC000877703397 623998835 /nfs/dbraw/zinc/99/88/35/623998835.db2.gz HBIUEJLWFHTWBU-UHFFFAOYSA-N 1 0 313.397 3.323 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000877709915 624000940 /nfs/dbraw/zinc/00/09/40/624000940.db2.gz KTDSLDOAYWJNIT-PKOBYXMFSA-N 1 0 302.462 3.356 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c1O ZINC000877739727 624012199 /nfs/dbraw/zinc/01/21/99/624012199.db2.gz SXVIATAQTJEOOY-ZYHUDNBSSA-N 1 0 313.850 3.239 20 10 DGCDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC000877741270 624013288 /nfs/dbraw/zinc/01/32/88/624013288.db2.gz AEMUXDSNVKWFNY-QUCCMNQESA-N 1 0 313.489 3.203 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccccc1O ZINC000877755783 624021934 /nfs/dbraw/zinc/02/19/34/624021934.db2.gz MSECTWUKOKEUTN-CYBMUJFWSA-N 1 0 310.397 3.152 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ccccc1O ZINC000877756590 624022923 /nfs/dbraw/zinc/02/29/23/624022923.db2.gz WIULXFSVRMOWLA-CQSZACIVSA-N 1 0 318.461 3.470 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000877808864 624040896 /nfs/dbraw/zinc/04/08/96/624040896.db2.gz XYWAPCXXHZQKKS-UHFFFAOYSA-N 1 0 311.385 3.198 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c(O)c1 ZINC000877811503 624043765 /nfs/dbraw/zinc/04/37/65/624043765.db2.gz MCSJVACFWBJJIJ-MRXNPFEDSA-N 1 0 305.805 3.047 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c1 ZINC000877814149 624045867 /nfs/dbraw/zinc/04/58/67/624045867.db2.gz UNHFQFIPEGOPNY-GFCCVEGCSA-N 1 0 304.415 3.155 20 10 DGCDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cc(C)ccc1O)CC2 ZINC000877817409 624049151 /nfs/dbraw/zinc/04/91/51/624049151.db2.gz VPNIAIXPLJVXKN-UHFFFAOYSA-N 1 0 310.397 3.217 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000877825390 624057989 /nfs/dbraw/zinc/05/79/89/624057989.db2.gz ZLCYKFPBEHERSJ-FZMZJTMJSA-N 1 0 303.324 3.242 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccncc3)C1)CCC2 ZINC000782291844 624234584 /nfs/dbraw/zinc/23/45/84/624234584.db2.gz QHEFZHAVPWXQRR-MRXNPFEDSA-N 1 0 308.425 3.341 20 10 DGCDRO COc1cc(C[N@@H+]2CCOCC3(CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000782297174 624235403 /nfs/dbraw/zinc/23/54/03/624235403.db2.gz HGCMCFTXMMFVKK-UHFFFAOYSA-N 1 0 319.445 3.311 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccccc1O ZINC000878362504 624256837 /nfs/dbraw/zinc/25/68/37/624256837.db2.gz BDQDOQCABBQYKO-HOCLYGCPSA-N 1 0 305.418 3.161 20 10 DGCDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000783220453 624325384 /nfs/dbraw/zinc/32/53/84/624325384.db2.gz DZRQDYINIIXOTA-VMUDFCTBSA-N 1 0 306.425 3.327 20 10 DGCDRO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1cc2c(cc1O)CCCC2 ZINC000783313902 624338174 /nfs/dbraw/zinc/33/81/74/624338174.db2.gz HMELKSNAGQIXPF-AWEZNQCLSA-N 1 0 302.462 3.406 20 10 DGCDRO c1c[nH]c([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000127392928 624377572 /nfs/dbraw/zinc/37/75/72/624377572.db2.gz YZKPCTNNPPPMLG-IBGZPJMESA-N 1 0 311.429 3.188 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC=CO2)c1O ZINC000783704877 624385433 /nfs/dbraw/zinc/38/54/33/624385433.db2.gz JETLCAADTOVAHI-CYBMUJFWSA-N 1 0 312.207 3.245 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc(Cl)cn1 ZINC000879648163 624620986 /nfs/dbraw/zinc/62/09/86/624620986.db2.gz AOTGOOWKNDMBML-GHMZBOCLSA-N 1 0 319.792 3.118 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccccc1O ZINC000879647881 624621426 /nfs/dbraw/zinc/62/14/26/624621426.db2.gz PAXWRIIVHFRADC-CQSZACIVSA-N 1 0 302.418 3.050 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)c1ccccc1O ZINC000879648987 624622487 /nfs/dbraw/zinc/62/24/87/624622487.db2.gz IPNWASAOSJRRLV-KGLIPLIRSA-N 1 0 310.397 3.021 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccccc1O ZINC000879650028 624623071 /nfs/dbraw/zinc/62/30/71/624623071.db2.gz YCXMKQYROMGCIL-QWHCGFSZSA-N 1 0 316.376 3.059 20 10 DGCDRO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1O ZINC000879651058 624624481 /nfs/dbraw/zinc/62/44/81/624624481.db2.gz FYEMOLAMTREINZ-SCLBCKFNSA-N 1 0 310.397 3.063 20 10 DGCDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651662 624624640 /nfs/dbraw/zinc/62/46/40/624624640.db2.gz FVSABJYJMPTMMX-HOTGVXAUSA-N 1 0 315.413 3.100 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1O ZINC000879650677 624624836 /nfs/dbraw/zinc/62/48/36/624624836.db2.gz NADNOHKUZIYUHJ-ZFWWWQNUSA-N 1 0 304.434 3.080 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)C1CCCCC1 ZINC000879652440 624626427 /nfs/dbraw/zinc/62/64/27/624626427.db2.gz DGYJYGCCIPXEHB-UONOGXRCSA-N 1 0 304.434 3.222 20 10 DGCDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000879698225 624643846 /nfs/dbraw/zinc/64/38/46/624643846.db2.gz MLLHGBKURGWYBS-UHFFFAOYSA-N 1 0 311.397 3.153 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC1(C)C ZINC000785427479 624664729 /nfs/dbraw/zinc/66/47/29/624664729.db2.gz XQYSBWSEIUQWPD-ZFWWWQNUSA-N 1 0 306.425 3.187 20 10 DGCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(C)CC3)cc2F)C[C@@H](C)O1 ZINC000785427523 624664776 /nfs/dbraw/zinc/66/47/76/624664776.db2.gz ZCAQGUBGLOCGDX-ZIAGYGMSSA-N 1 0 306.425 3.329 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC1(C)C ZINC000785433119 624666143 /nfs/dbraw/zinc/66/61/43/624666143.db2.gz DFSLZJWHSJVWRZ-BBRMVZONSA-N 1 0 320.452 3.311 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000785608981 624699685 /nfs/dbraw/zinc/69/96/85/624699685.db2.gz IIAXPWHDDGMKOC-KRWDZBQOSA-N 1 0 322.811 3.368 20 10 DGCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000786156367 624811512 /nfs/dbraw/zinc/81/15/12/624811512.db2.gz DLCVHVIOQQUWMZ-CQSZACIVSA-N 1 0 305.805 3.047 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CF)C3)cc2)CC1 ZINC000880238510 624861853 /nfs/dbraw/zinc/86/18/53/624861853.db2.gz TUFLZEVUCWQLLA-KRWDZBQOSA-N 1 0 320.452 3.483 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCCOC1 ZINC000880467225 624963076 /nfs/dbraw/zinc/96/30/76/624963076.db2.gz YNZVBDCOELIXND-MLGOLLRUSA-N 1 0 309.381 3.029 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cc(Cl)ccc1O ZINC000786933323 624965957 /nfs/dbraw/zinc/96/59/57/624965957.db2.gz BNNRKMCZBNCZRR-OAHLLOKOSA-N 1 0 320.820 3.294 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787290560 624997368 /nfs/dbraw/zinc/99/73/68/624997368.db2.gz OHAZIHYFHLFZQH-CQSZACIVSA-N 1 0 320.339 3.109 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2COCc3ccccc32)cc1F ZINC000788585462 625221263 /nfs/dbraw/zinc/22/12/63/625221263.db2.gz VLGDNMJZNJUTPR-QGZVFWFLSA-N 1 0 300.377 3.253 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c(O)c1 ZINC000788670559 625238706 /nfs/dbraw/zinc/23/87/06/625238706.db2.gz UHWPBMBUAZCUAX-OAHLLOKOSA-N 1 0 318.461 3.451 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c(O)c1 ZINC000788670557 625239026 /nfs/dbraw/zinc/23/90/26/625239026.db2.gz UHWPBMBUAZCUAX-HNNXBMFYSA-N 1 0 318.461 3.451 20 10 DGCDRO COc1cc(C[N@@H+]2CCOC3(CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000129701017 625741790 /nfs/dbraw/zinc/74/17/90/625741790.db2.gz ARIVLSDXTFBKPF-UHFFFAOYSA-N 1 0 319.445 3.453 20 10 DGCDRO CSc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000882915322 625859030 /nfs/dbraw/zinc/85/90/30/625859030.db2.gz MZPVSASRKSMTDD-UHFFFAOYSA-N 1 0 318.442 3.128 20 10 DGCDRO C[NH+](C)CCCCCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882924212 625862374 /nfs/dbraw/zinc/86/23/74/625862374.db2.gz YHYVMJADEVFFEP-UHFFFAOYSA-N 1 0 300.393 3.272 20 10 DGCDRO CO[C@@H](C)c1nc(CNCc2cc(F)cc(F)c2[O-])cs1 ZINC000883032426 625904431 /nfs/dbraw/zinc/90/44/31/625904431.db2.gz IUFXHSSSQKEKGZ-QMMMGPOBSA-N 1 0 314.357 3.124 20 10 DGCDRO CC[C@]1([NH2+]Cc2cc(Br)cc(C)c2O)CCOC1 ZINC000792193342 625922823 /nfs/dbraw/zinc/92/28/23/625922823.db2.gz SYMRGLKVQZIXBK-AWEZNQCLSA-N 1 0 314.223 3.122 20 10 DGCDRO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])CC2 ZINC000883101573 625927711 /nfs/dbraw/zinc/92/77/11/625927711.db2.gz MFMLGWAZZUWNBD-CQSZACIVSA-N 1 0 321.371 3.095 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC000883157494 625946682 /nfs/dbraw/zinc/94/66/82/625946682.db2.gz AEBYVXNUVURICO-BJOHPYRUSA-N 1 0 311.303 3.021 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)N(C)C ZINC000796285450 626035242 /nfs/dbraw/zinc/03/52/42/626035242.db2.gz RUJFFOXTTQLFBL-KRWDZBQOSA-N 1 0 323.484 3.289 20 10 DGCDRO CC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796287573 626035684 /nfs/dbraw/zinc/03/56/84/626035684.db2.gz LZEDXTYBNQJIIV-OAQYLSRUSA-N 1 0 324.468 3.500 20 10 DGCDRO CC[C@@H](O)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796320552 626038511 /nfs/dbraw/zinc/03/85/11/626038511.db2.gz PODWBXLGXYIJQN-HXUWFJFHSA-N 1 0 324.468 3.500 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](O)c2ccc(CC)cc2)c1O ZINC000796452807 626051955 /nfs/dbraw/zinc/05/19/55/626051955.db2.gz XVFLOSLQZSJMLH-QGZVFWFLSA-N 1 0 315.413 3.177 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)cc1C ZINC000796526645 626058891 /nfs/dbraw/zinc/05/88/91/626058891.db2.gz OYBPNWYAHTTXSK-QFIPXVFZSA-N 1 0 317.454 3.177 20 10 DGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000796703704 626074761 /nfs/dbraw/zinc/07/47/61/626074761.db2.gz UIBDHQLCXNYVLE-WMZOPIPTSA-N 1 0 320.452 3.311 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000797418757 626141450 /nfs/dbraw/zinc/14/14/50/626141450.db2.gz VQGYCCGUBOSNMC-BXWFABGCSA-N 1 0 319.445 3.167 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000798493821 626220716 /nfs/dbraw/zinc/22/07/16/626220716.db2.gz TXWPSLWCGZUWSP-IJEWVQPXSA-N 1 0 305.418 3.086 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2(CN(C)C)CCC2)cc1F ZINC000798502627 626221759 /nfs/dbraw/zinc/22/17/59/626221759.db2.gz SXPTZVXVFJQASQ-UHFFFAOYSA-N 1 0 307.457 3.246 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C12CCC2 ZINC000799733219 626325966 /nfs/dbraw/zinc/32/59/66/626325966.db2.gz CHVRINIGLCUYKA-SJORKVTESA-N 1 0 306.425 3.329 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1 ZINC000800897354 626383657 /nfs/dbraw/zinc/38/36/57/626383657.db2.gz XFHLDTHDIVHNDA-IBGZPJMESA-N 1 0 315.413 3.231 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccc(N2CCOCC2)cc1 ZINC000800968136 626387413 /nfs/dbraw/zinc/38/74/13/626387413.db2.gz GIEFTOGEIWLNRF-WQCNXYOZSA-N 1 0 300.446 3.362 20 10 DGCDRO CCCC[N@H+](CC(=O)N[C@H](C)C(C)C)Cc1ccccc1O ZINC000801597495 626411880 /nfs/dbraw/zinc/41/18/80/626411880.db2.gz IIIIPLGXJMDNLA-OAHLLOKOSA-N 1 0 306.450 3.155 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cc1F ZINC000883234460 626618488 /nfs/dbraw/zinc/61/84/88/626618488.db2.gz GJMVXBTXXIWINI-UWUNEBHHSA-N 1 0 314.404 3.032 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)c(O)c1 ZINC000883276204 626633118 /nfs/dbraw/zinc/63/31/18/626633118.db2.gz HRWOJMHLKUASKO-GOEBONIOSA-N 1 0 303.402 3.104 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)c(O)c1C ZINC000883276458 626633965 /nfs/dbraw/zinc/63/39/65/626633965.db2.gz LGZPHZUKCIHUAE-ZBFHGGJFSA-N 1 0 303.402 3.104 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(N(C)C)cc1 ZINC000883278067 626634453 /nfs/dbraw/zinc/63/44/53/626634453.db2.gz LJINUPAKUBKWSB-APWZRJJASA-N 1 0 316.445 3.238 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)c1O ZINC000883277395 626634503 /nfs/dbraw/zinc/63/45/03/626634503.db2.gz ZCELEYLOQUSEHV-OCCSQVGLSA-N 1 0 323.820 3.449 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(C)nc2Cl)c1 ZINC000883292227 626638839 /nfs/dbraw/zinc/63/88/39/626638839.db2.gz HUONDSRFXGUPHE-UHFFFAOYSA-N 1 0 306.793 3.438 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1ccc2ccccc2c1O ZINC000883395650 626672064 /nfs/dbraw/zinc/67/20/64/626672064.db2.gz YVHRHRFTQPVWFD-XJKSGUPXSA-N 1 0 324.424 3.207 20 10 DGCDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000806169819 626704208 /nfs/dbraw/zinc/70/42/08/626704208.db2.gz RIJBKTBYGAJJID-GHMZBOCLSA-N 1 0 316.239 3.070 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+]CCCSc1nccs1 ZINC000132233602 626708228 /nfs/dbraw/zinc/70/82/28/626708228.db2.gz GBHVYEHBRCQOSM-OAHLLOKOSA-N 1 0 322.499 3.473 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1C ZINC000808452293 626826104 /nfs/dbraw/zinc/82/61/04/626826104.db2.gz FDNCZNRSIXJGPU-INIZCTEOSA-N 1 0 301.361 3.236 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c1O ZINC000808673799 626847985 /nfs/dbraw/zinc/84/79/85/626847985.db2.gz UMSLWJOIEUTADU-LLVKDONJSA-N 1 0 322.792 3.028 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCc2cnn(C)c2)c1O ZINC000808689791 626849486 /nfs/dbraw/zinc/84/94/86/626849486.db2.gz GGRBWTLAXMYLAZ-LBPRGKRZSA-N 1 0 307.825 3.371 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c1O ZINC000808694052 626850082 /nfs/dbraw/zinc/85/00/82/626850082.db2.gz ZGSYAGLNRKKFDK-DOMZBBRYSA-N 1 0 308.853 3.489 20 10 DGCDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808699075 626851221 /nfs/dbraw/zinc/85/12/21/626851221.db2.gz RUPPEZVXRMFNNO-CMPLNLGQSA-N 1 0 303.855 3.119 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1O ZINC000808707814 626851628 /nfs/dbraw/zinc/85/16/28/626851628.db2.gz ZSJOVVIUEVATQO-XSRFYTQQSA-N 1 0 310.825 3.049 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c1O ZINC000808707575 626851701 /nfs/dbraw/zinc/85/17/01/626851701.db2.gz SMDFLTISALHWKH-FZMZJTMJSA-N 1 0 310.825 3.014 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)NC2CCCC2)c1O ZINC000808705798 626851897 /nfs/dbraw/zinc/85/18/97/626851897.db2.gz SGDIMIPNCAKWAV-LLVKDONJSA-N 1 0 310.825 3.063 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCNC(=O)C(C)C)c1O ZINC000808709808 626852625 /nfs/dbraw/zinc/85/26/25/626852625.db2.gz ZPZFPULYGAQLLX-GFCCVEGCSA-N 1 0 312.841 3.167 20 10 DGCDRO Oc1ccccc1C[NH2+]CCOc1cccc(Br)c1 ZINC000134229405 626865380 /nfs/dbraw/zinc/86/53/80/626865380.db2.gz XKWCUTAQIQZEPC-UHFFFAOYSA-N 1 0 322.202 3.323 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]([C@H]3CCCO3)C1)CCCC2 ZINC000884481523 626887882 /nfs/dbraw/zinc/88/78/82/626887882.db2.gz MCLIOJMSGPYJBT-VQIMIIECSA-N 1 0 301.430 3.272 20 10 DGCDRO c1ccc(CN2CCc3cc(C[N@@H+]4CCCOCC4)ccc32)cc1 ZINC000809550972 626919140 /nfs/dbraw/zinc/91/91/40/626919140.db2.gz YMXQHBHFDKAQCZ-UHFFFAOYSA-N 1 0 322.452 3.472 20 10 DGCDRO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)CC(C)(C)O ZINC000809575909 626921477 /nfs/dbraw/zinc/92/14/77/626921477.db2.gz GCORVOQRQRCYIQ-UHFFFAOYSA-N 1 0 324.468 3.452 20 10 DGCDRO C[C@H](O)CC[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809578775 626922470 /nfs/dbraw/zinc/92/24/70/626922470.db2.gz QMVPGHJYEGPZPZ-KRWDZBQOSA-N 1 0 324.468 3.452 20 10 DGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000809656264 626934131 /nfs/dbraw/zinc/93/41/31/626934131.db2.gz YYBQPGJVSNXDRH-KRWDZBQOSA-N 1 0 303.377 3.381 20 10 DGCDRO CC(C)OC[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000809713668 626940007 /nfs/dbraw/zinc/94/00/07/626940007.db2.gz WZQLWUKBXDERQN-SNVBAGLBSA-N 1 0 302.212 3.058 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000809712835 626940012 /nfs/dbraw/zinc/94/00/12/626940012.db2.gz VNNBAWAVGJYCHR-UHFFFAOYSA-N 1 0 318.367 3.383 20 10 DGCDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000809717379 626940574 /nfs/dbraw/zinc/94/05/74/626940574.db2.gz GYZXLMUPQHAQIT-HNNXBMFYSA-N 1 0 315.413 3.438 20 10 DGCDRO C[NH+](C)CCN(Cc1ccc(F)cc1)Cc1ccccc1O ZINC000809736202 626943557 /nfs/dbraw/zinc/94/35/57/626943557.db2.gz JRZHYYXZHNZTJZ-UHFFFAOYSA-N 1 0 302.393 3.095 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccnn2-c2ccccc2C)c1O ZINC000809740028 626944391 /nfs/dbraw/zinc/94/43/91/626944391.db2.gz YKJKPNLMOKQPJV-UHFFFAOYSA-N 1 0 323.396 3.185 20 10 DGCDRO C[N@H+](Cc1ccc(O)cc1)Cc1cc(Br)ccc1O ZINC000809753629 626946804 /nfs/dbraw/zinc/94/68/04/626946804.db2.gz NOXMYOYMWPOFJP-UHFFFAOYSA-N 1 0 322.202 3.492 20 10 DGCDRO CCOC1CC([N@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000809773381 626950958 /nfs/dbraw/zinc/95/09/58/626950958.db2.gz CNGXZLYMGVRCHE-UHFFFAOYSA-N 1 0 314.223 3.154 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000809793885 626955106 /nfs/dbraw/zinc/95/51/06/626955106.db2.gz QTERKOLUPVYPFX-UHFFFAOYSA-N 1 0 311.360 3.066 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1C ZINC000810165434 626983748 /nfs/dbraw/zinc/98/37/48/626983748.db2.gz RYGBXNXYHQYKGH-UYAOXDASSA-N 1 0 311.425 3.265 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810215630 626988741 /nfs/dbraw/zinc/98/87/41/626988741.db2.gz ISIHBVNEWHNGDW-AAEUAGOBSA-N 1 0 302.340 3.156 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1ccc(C(F)(F)F)cc1O ZINC000810234471 626990685 /nfs/dbraw/zinc/99/06/85/626990685.db2.gz DKGCDIQLSVNZKL-KHUFEXMSSA-N 1 0 323.380 3.219 20 10 DGCDRO CC[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(C(F)(F)F)cc1O ZINC000810247283 626992257 /nfs/dbraw/zinc/99/22/57/626992257.db2.gz JDVLKWKYDILPAN-ZDUSSCGKSA-N 1 0 313.323 3.418 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Cl)ccc1O ZINC000810254767 626993390 /nfs/dbraw/zinc/99/33/90/626993390.db2.gz RATAAMQJJXUWJW-YPMHNXCESA-N 1 0 305.809 3.367 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3c(C)cccc3C2)c1 ZINC000810259606 626994014 /nfs/dbraw/zinc/99/40/14/626994014.db2.gz NFOJSVDPCHHIOD-ZFWWWQNUSA-N 1 0 313.397 3.364 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccc(Cl)cn3)ccc21 ZINC000885954041 627068430 /nfs/dbraw/zinc/06/84/30/627068430.db2.gz LRYDSDMIALMMAF-UHFFFAOYSA-N 1 0 301.821 3.407 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)Cc1cccnc1[N+](=O)[O-] ZINC000886192075 627119484 /nfs/dbraw/zinc/11/94/84/627119484.db2.gz GHRMXQYXZUUANJ-UHFFFAOYSA-N 1 0 315.373 3.498 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1C ZINC000886340934 627140019 /nfs/dbraw/zinc/14/00/19/627140019.db2.gz NHNKGEKVRGSDAW-RIVXBTQJSA-N 1 0 319.445 3.066 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000886513149 627155527 /nfs/dbraw/zinc/15/55/27/627155527.db2.gz VHPZPYJLJWCSHK-KXBFYZLASA-N 1 0 323.440 3.256 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCc4cccnc43)CC2)cc1 ZINC000886521149 627156163 /nfs/dbraw/zinc/15/61/63/627156163.db2.gz VXDCBJHIRJOKMV-IBGZPJMESA-N 1 0 323.440 3.336 20 10 DGCDRO CSC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CC[NH+](C)CC1 ZINC000886612190 627173448 /nfs/dbraw/zinc/17/34/48/627173448.db2.gz FKYAJRLIZKIRKP-LBPRGKRZSA-N 1 0 312.454 3.009 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000886669602 627185131 /nfs/dbraw/zinc/18/51/31/627185131.db2.gz BBOOXUVWNSAPSZ-GUTXKFCHSA-N 1 0 313.825 3.016 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1)c1ccccc1O ZINC000886764389 627201549 /nfs/dbraw/zinc/20/15/49/627201549.db2.gz RSPIALFMEBVIAU-ILXVDBEPSA-N 1 0 305.418 3.160 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1 ZINC000886771035 627202887 /nfs/dbraw/zinc/20/28/87/627202887.db2.gz BPTYPNGDXYYMJA-KSPMYQCISA-N 1 0 319.445 3.324 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)[C@@H]1CCCOC1 ZINC000886788740 627204532 /nfs/dbraw/zinc/20/45/32/627204532.db2.gz HZJJHGJHRATDOQ-MXYBEHONSA-N 1 0 323.408 3.111 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@H]1CCCOC1 ZINC000886789275 627204801 /nfs/dbraw/zinc/20/48/01/627204801.db2.gz RHWRWQKMFYXZQA-HUBLWGQQSA-N 1 0 313.825 3.138 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)[C@H]1CCCOC1 ZINC000886789589 627204941 /nfs/dbraw/zinc/20/49/41/627204941.db2.gz YHTHCKAVSLMYBZ-XUJVJEKNSA-N 1 0 313.825 3.138 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512829 627284795 /nfs/dbraw/zinc/28/47/95/627284795.db2.gz LMDXVNLNMBBBDR-QGZVFWFLSA-N 1 0 312.388 3.168 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000811513386 627286630 /nfs/dbraw/zinc/28/66/30/627286630.db2.gz VHMVBAIUHKXYTK-GOSISDBHSA-N 1 0 308.425 3.338 20 10 DGCDRO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)cc1C ZINC000811777271 627320859 /nfs/dbraw/zinc/32/08/59/627320859.db2.gz IGVCSWNYWUGYPI-DOTOQJQBSA-N 1 0 305.418 3.099 20 10 DGCDRO Cn1cc(C[NH2+]CCCSc2nccs2)c(C(F)F)n1 ZINC000812755621 627417230 /nfs/dbraw/zinc/41/72/30/627417230.db2.gz CRTISALJCHNTIM-UHFFFAOYSA-N 1 0 318.418 3.086 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3cnn(C)c3c2)cc1F ZINC000812772651 627418527 /nfs/dbraw/zinc/41/85/27/627418527.db2.gz YIYVHLOGRNWSHK-UHFFFAOYSA-N 1 0 312.392 3.068 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C(=O)N(C)C)cc1 ZINC000813857694 627516428 /nfs/dbraw/zinc/51/64/28/627516428.db2.gz YOJRJGJLWNDOJN-CQSZACIVSA-N 1 0 324.424 3.174 20 10 DGCDRO CN1C[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)[C@H]2C1 ZINC000814172899 627546568 /nfs/dbraw/zinc/54/65/68/627546568.db2.gz CUFPUAUJNNVWDJ-MJGOQNOKSA-N 1 0 308.425 3.195 20 10 DGCDRO C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc(N(C)C)cc1 ZINC000814296471 627557536 /nfs/dbraw/zinc/55/75/36/627557536.db2.gz BQAVUZOPUMBZJR-LBPRGKRZSA-N 1 0 308.376 3.065 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)ccc1N(C)C ZINC000815020075 627616815 /nfs/dbraw/zinc/61/68/15/627616815.db2.gz YJUSBAHWBKTKTM-QGZVFWFLSA-N 1 0 310.445 3.231 20 10 DGCDRO Cc1cc(C[NH+]2CCN(c3cccs3)CC2)ccc1N(C)C ZINC000815061141 627621403 /nfs/dbraw/zinc/62/14/03/627621403.db2.gz KUSJTTTWDSSSFE-UHFFFAOYSA-N 1 0 315.486 3.445 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](CCO)c2cccs2)ccc1N(C)C ZINC000815088109 627624628 /nfs/dbraw/zinc/62/46/28/627624628.db2.gz AVILJYFVYHSFSC-HNNXBMFYSA-N 1 0 304.459 3.336 20 10 DGCDRO Cc1cc(C[NH2+][C@H](CCO)c2cccs2)ccc1N(C)C ZINC000815088110 627625270 /nfs/dbraw/zinc/62/52/70/627625270.db2.gz AVILJYFVYHSFSC-OAHLLOKOSA-N 1 0 304.459 3.336 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)cc1 ZINC000815117307 627629076 /nfs/dbraw/zinc/62/90/76/627629076.db2.gz NRPGKDHFZAKNAW-GOSISDBHSA-N 1 0 317.477 3.023 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ncc(CSC)s2)c1 ZINC000815126516 627632454 /nfs/dbraw/zinc/63/24/54/627632454.db2.gz NDHNMLDZMQHGOQ-UHFFFAOYSA-N 1 0 310.444 3.010 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)C2CCCCC2)cc1F ZINC000815150812 627637854 /nfs/dbraw/zinc/63/78/54/627637854.db2.gz PAGHLMUUOQSWBI-MRXNPFEDSA-N 1 0 308.441 3.170 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)C2CCCCC2)c1 ZINC000815150468 627637929 /nfs/dbraw/zinc/63/79/29/627637929.db2.gz FIXJMLRMSKHMPI-INIZCTEOSA-N 1 0 307.434 3.069 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)cc1F ZINC000815159301 627639464 /nfs/dbraw/zinc/63/94/64/627639464.db2.gz PXOFOTGSFIZENF-RDTXWAMCSA-N 1 0 308.441 3.313 20 10 DGCDRO CSC1CC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000924792406 627680669 /nfs/dbraw/zinc/68/06/69/627680669.db2.gz CKVQDWZOARPGFQ-KTAKPFMOSA-N 1 0 306.475 3.068 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccco2)c(O)c1 ZINC000815589296 627688310 /nfs/dbraw/zinc/68/83/10/627688310.db2.gz OGVBZJYNMGSILV-LSDHHAIUSA-N 1 0 303.402 3.104 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598356 627689654 /nfs/dbraw/zinc/68/96/54/627689654.db2.gz SLMVEHWONKHMHN-ONGXEEELSA-N 1 0 303.324 3.223 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC000815598319 627689935 /nfs/dbraw/zinc/68/99/35/627689935.db2.gz ROZNLAMJVIJVNS-NOZJJQNGSA-N 1 0 303.324 3.487 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(-n2cnnc2)c1 ZINC000924899469 627691706 /nfs/dbraw/zinc/69/17/06/627691706.db2.gz GFYQOZQBPNQUNA-AWEZNQCLSA-N 1 0 320.396 3.053 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H](C2CC2)C2CCOCC2)n1 ZINC000925104300 627708694 /nfs/dbraw/zinc/70/86/94/627708694.db2.gz XINJQRUONHDMGE-AWEZNQCLSA-N 1 0 312.504 3.420 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)n1 ZINC000925104378 627708880 /nfs/dbraw/zinc/70/88/80/627708880.db2.gz YDTVHJGDGQTSQL-KBPBESRZSA-N 1 0 312.504 3.420 20 10 DGCDRO C[C@@H]1C[NH2+]C[C@H]1N[C@@H](CCc1ccccc1)c1ccccc1O ZINC000925781609 627794235 /nfs/dbraw/zinc/79/42/35/627794235.db2.gz BDHDXVRXQHPEMR-AYOQOUSVSA-N 1 0 310.441 3.264 20 10 DGCDRO Oc1c(C[NH+]2CCN(Cc3ccco3)CC2)ccc2ccccc21 ZINC000816482723 627795614 /nfs/dbraw/zinc/79/56/14/627795614.db2.gz QDPWGYMUORKMDD-UHFFFAOYSA-N 1 0 322.408 3.456 20 10 DGCDRO O=C1CCCN1C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816503636 627798264 /nfs/dbraw/zinc/79/82/64/627798264.db2.gz GNTDSRHNVOXLFS-UHFFFAOYSA-N 1 0 324.424 3.132 20 10 DGCDRO Oc1c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)ccc2ccccc21 ZINC000816514981 627800002 /nfs/dbraw/zinc/80/00/02/627800002.db2.gz LYIRSSZSUQYCBW-OAHLLOKOSA-N 1 0 311.303 3.045 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)Cc1ccccc1 ZINC000816538029 627803923 /nfs/dbraw/zinc/80/39/23/627803923.db2.gz BQEINPVDGGELBR-QGZVFWFLSA-N 1 0 321.420 3.486 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816548365 627806176 /nfs/dbraw/zinc/80/61/76/627806176.db2.gz FLWQCTCVCVGBEW-GFCCVEGCSA-N 1 0 314.832 3.395 20 10 DGCDRO Oc1ccc(F)c(C[NH2+]CCCSc2nccs2)c1F ZINC000816553163 627806544 /nfs/dbraw/zinc/80/65/44/627806544.db2.gz LGCDITBSUKTKFQ-UHFFFAOYSA-N 1 0 316.398 3.399 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ncc(CSC)s2)c(O)c1 ZINC000816597094 627812616 /nfs/dbraw/zinc/81/26/16/627812616.db2.gz DHTKMSNQPCTYKF-UHFFFAOYSA-N 1 0 310.444 3.010 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)c(OC)n1 ZINC000816616488 627815327 /nfs/dbraw/zinc/81/53/27/627815327.db2.gz YDZXADDTXKQNSH-UHFFFAOYSA-N 1 0 324.380 3.247 20 10 DGCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc4ccccc4c3O)C2)c1 ZINC000816616156 627815578 /nfs/dbraw/zinc/81/55/78/627815578.db2.gz POBUUBFAAPWSIJ-QGZVFWFLSA-N 1 0 307.397 3.497 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H](O)Cc1ccccc1 ZINC000816625149 627816031 /nfs/dbraw/zinc/81/60/31/627816031.db2.gz ULNUWQXUIJCZOF-AWEZNQCLSA-N 1 0 305.805 3.081 20 10 DGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccnc1 ZINC000816637590 627816838 /nfs/dbraw/zinc/81/68/38/627816838.db2.gz IPRLYIHFRRNFQY-INIZCTEOSA-N 1 0 320.820 3.290 20 10 DGCDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000816660703 627821540 /nfs/dbraw/zinc/82/15/40/627821540.db2.gz MTJRXVYDVMKESV-GOSISDBHSA-N 1 0 301.478 3.203 20 10 DGCDRO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1O ZINC000817412428 627895916 /nfs/dbraw/zinc/89/59/16/627895916.db2.gz KYLFNLAHHLOWRH-UKRRQHHQSA-N 1 0 305.418 3.334 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)cc1 ZINC000817413104 627896514 /nfs/dbraw/zinc/89/65/14/627896514.db2.gz UBLBPXSPHPXGCO-SFHVURJKSA-N 1 0 317.477 3.023 20 10 DGCDRO CON1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000817586479 627926831 /nfs/dbraw/zinc/92/68/31/627926831.db2.gz OSRVOWJJFNILTG-INIZCTEOSA-N 1 0 317.477 3.353 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Cl)ccc1O ZINC000817586534 627926917 /nfs/dbraw/zinc/92/69/17/627926917.db2.gz PIXGJIJTRATKEB-HUBLWGQQSA-N 1 0 324.852 3.378 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817939034 627967753 /nfs/dbraw/zinc/96/77/53/627967753.db2.gz XZISWMMIWWMLIE-KUHUBIRLSA-N 1 0 313.445 3.112 20 10 DGCDRO CC[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000817941892 627968318 /nfs/dbraw/zinc/96/83/18/627968318.db2.gz SVYIAVYWXXFMHL-DGCLKSJQSA-N 1 0 302.340 3.204 20 10 DGCDRO Cc1nc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)s1 ZINC000817940657 627968336 /nfs/dbraw/zinc/96/83/36/627968336.db2.gz GKZGXMPSMZLZTI-ZBEGNZNMSA-N 1 0 318.490 3.177 20 10 DGCDRO Cc1nc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)s1 ZINC000817940656 627968859 /nfs/dbraw/zinc/96/88/59/627968859.db2.gz GKZGXMPSMZLZTI-MEDUHNTESA-N 1 0 318.490 3.177 20 10 DGCDRO CCC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817942911 627969581 /nfs/dbraw/zinc/96/95/81/627969581.db2.gz RMZKZJRKYOUDFF-RBUKOAKNSA-N 1 0 312.461 3.278 20 10 DGCDRO CCc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000817942361 627969920 /nfs/dbraw/zinc/96/99/20/627969920.db2.gz OLBGSHGSGHARGM-SUMWQHHRSA-N 1 0 301.434 3.259 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](N)c2ccccc2)c2c1c(F)ccc2O ZINC000817954046 627973225 /nfs/dbraw/zinc/97/32/25/627973225.db2.gz AQXNPEUONVZDKW-DFBGVHRSSA-N 1 0 300.377 3.369 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000817953470 627973465 /nfs/dbraw/zinc/97/34/65/627973465.db2.gz PKUGZWMJRIRMPX-JGVFFNPUSA-N 1 0 321.646 3.196 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000817956237 627974124 /nfs/dbraw/zinc/97/41/24/627974124.db2.gz UODWRXZVRHJBMH-ZDUSSCGKSA-N 1 0 309.413 3.047 20 10 DGCDRO COC[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc(Cl)c1 ZINC000817958417 627974556 /nfs/dbraw/zinc/97/45/56/627974556.db2.gz VNNCHUQFNUGCMD-KRWDZBQOSA-N 1 0 304.821 3.442 20 10 DGCDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(C(=O)OC)cc1 ZINC000817957682 627974998 /nfs/dbraw/zinc/97/49/98/627974998.db2.gz OAKOSJBTHSYIRJ-SFHVURJKSA-N 1 0 312.413 3.339 20 10 DGCDRO C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000817962107 627976960 /nfs/dbraw/zinc/97/69/60/627976960.db2.gz GBXWGOMCMZITBP-VXGBXAGGSA-N 1 0 315.373 3.171 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(F)cc(F)c1[O-] ZINC000817967666 627977850 /nfs/dbraw/zinc/97/78/50/627977850.db2.gz AGXAPKNRHYPUNV-JTQLQIEISA-N 1 0 304.340 3.124 20 10 DGCDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000817968056 627978643 /nfs/dbraw/zinc/97/86/43/627978643.db2.gz NXOALRWHXLIBRV-BXWFABGCSA-N 1 0 301.478 3.326 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)(F)F)c(O)c1 ZINC000926922774 627981940 /nfs/dbraw/zinc/98/19/40/627981940.db2.gz SFDWUDLWGSODCC-CHWSQXEVSA-N 1 0 316.367 3.378 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817981214 627982594 /nfs/dbraw/zinc/98/25/94/627982594.db2.gz HFFVWXZZIIRSRZ-GARJFASQSA-N 1 0 302.340 3.189 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1 ZINC000926966237 627990450 /nfs/dbraw/zinc/99/04/50/627990450.db2.gz ZILJZUKALZMCBV-BXUZGUMPSA-N 1 0 304.356 3.234 20 10 DGCDRO C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000926961687 627991058 /nfs/dbraw/zinc/99/10/58/627991058.db2.gz ITAVJAUFTFYKAR-WFASDCNBSA-N 1 0 317.399 3.286 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000818188081 628001979 /nfs/dbraw/zinc/00/19/79/628001979.db2.gz UFZJLXCUGVSUTJ-UHFFFAOYSA-N 1 0 323.295 3.012 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2)n1 ZINC000927046738 628002446 /nfs/dbraw/zinc/00/24/46/628002446.db2.gz BJYKZSYCEGCEQA-NQBHXWOUSA-N 1 0 319.380 3.464 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnccc3C)C2)cc1 ZINC000818221948 628006266 /nfs/dbraw/zinc/00/62/66/628006266.db2.gz PRDQYPDLUCWLKF-INIZCTEOSA-N 1 0 311.429 3.015 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1O ZINC000927069698 628007472 /nfs/dbraw/zinc/00/74/72/628007472.db2.gz ZVUHUHAYGOCKIO-BLLLJJGKSA-N 1 0 303.406 3.182 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cc(C)on3)C2)cc1 ZINC000818342096 628015435 /nfs/dbraw/zinc/01/54/35/628015435.db2.gz LMIXMTMVZRARMC-HUUCEWRRSA-N 1 0 315.417 3.169 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000818341826 628015481 /nfs/dbraw/zinc/01/54/81/628015481.db2.gz HINNPCYXYFTJHB-NIKGAXFTSA-N 1 0 300.446 3.300 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(C)on3)C2)cc1 ZINC000818342097 628015881 /nfs/dbraw/zinc/01/58/81/628015881.db2.gz LMIXMTMVZRARMC-LSDHHAIUSA-N 1 0 315.417 3.169 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000818344567 628016161 /nfs/dbraw/zinc/01/61/61/628016161.db2.gz OJYFWXWFZDBCOP-MRXNPFEDSA-N 1 0 322.452 3.279 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)c1ncc(C(=O)OC)s1)c1ccccc1O ZINC000818355062 628017397 /nfs/dbraw/zinc/01/73/97/628017397.db2.gz BBRSOCHCDKVFMA-JQWIXIFHSA-N 1 0 320.414 3.437 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nc3c(s2)COCC3)c(O)c1 ZINC000927121679 628021507 /nfs/dbraw/zinc/02/15/07/628021507.db2.gz NXKPMZHLUWAHDX-NSHDSACASA-N 1 0 304.415 3.081 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c1 ZINC000927154781 628027579 /nfs/dbraw/zinc/02/75/79/628027579.db2.gz DHBFSCPZILUCBX-MDYRTPRTSA-N 1 0 311.425 3.444 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2F)cc1 ZINC000818941269 628063648 /nfs/dbraw/zinc/06/36/48/628063648.db2.gz GTUQNSMAKJEEQB-UHFFFAOYSA-N 1 0 315.392 3.010 20 10 DGCDRO CN(c1ccc(C[NH2+]C[C@H](O)C2CC2)cc1)C1CCCCC1 ZINC000818981849 628072571 /nfs/dbraw/zinc/07/25/71/628072571.db2.gz ZRULFADXORLDSU-IBGZPJMESA-N 1 0 302.462 3.316 20 10 DGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818985241 628073369 /nfs/dbraw/zinc/07/33/69/628073369.db2.gz PJQOQDMGXRUWHZ-IFXJQAMLSA-N 1 0 316.420 3.146 20 10 DGCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094550 628091374 /nfs/dbraw/zinc/09/13/74/628091374.db2.gz HJGICOFPDIUTFA-HXUWFJFHSA-N 1 0 308.425 3.194 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]3SC)C2)cc1 ZINC000822494444 628457613 /nfs/dbraw/zinc/45/76/13/628457613.db2.gz OTVJNGIIJLHSQL-XYPHTWIQSA-N 1 0 306.475 3.005 20 10 DGCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC000822520689 628460991 /nfs/dbraw/zinc/46/09/91/628460991.db2.gz LWBILBVCBPPNMP-AZUAARDMSA-N 1 0 313.489 3.203 20 10 DGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CCO1 ZINC000823666801 628585359 /nfs/dbraw/zinc/58/53/59/628585359.db2.gz SALOMTXOHXRAEF-WMZOPIPTSA-N 1 0 320.502 3.287 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3ccncc3C)CC2)cc1 ZINC000823758118 628594374 /nfs/dbraw/zinc/59/43/74/628594374.db2.gz SNFZVGUEYKZSAZ-UHFFFAOYSA-N 1 0 311.429 3.157 20 10 DGCDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823924089 628610393 /nfs/dbraw/zinc/61/03/93/628610393.db2.gz RCPDXXUIXUZRSM-GJZGRUSLSA-N 1 0 318.486 3.491 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CSc3ccccc31)OCO2 ZINC000824483562 628664466 /nfs/dbraw/zinc/66/44/66/628664466.db2.gz QJASYMCYQMYYDH-GFCCVEGCSA-N 1 0 315.394 3.100 20 10 DGCDRO CC[C@H](C)[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000824596733 628675005 /nfs/dbraw/zinc/67/50/05/628675005.db2.gz KYEYGVKIEUPARH-HNAYVOBHSA-N 1 0 320.477 3.315 20 10 DGCDRO CC[C@@H](C)[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000824596730 628675096 /nfs/dbraw/zinc/67/50/96/628675096.db2.gz KYEYGVKIEUPARH-BEFAXECRSA-N 1 0 320.477 3.315 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000824696333 628684664 /nfs/dbraw/zinc/68/46/64/628684664.db2.gz LJXXNAKDVQSPEJ-QRVBRYPASA-N 1 0 302.462 3.268 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000824696311 628684909 /nfs/dbraw/zinc/68/49/09/628684909.db2.gz KXJURFRMTFENJT-BRWVUGGUSA-N 1 0 319.445 3.306 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1OC ZINC000824702049 628685226 /nfs/dbraw/zinc/68/52/26/628685226.db2.gz HFFFFMJXGOGOMJ-MOMAJJCNSA-N 1 0 315.413 3.053 20 10 DGCDRO CC(C)n1cc(C2=CCC[N@H+](Cc3ccccc3O)CC2)nn1 ZINC000824738611 628688335 /nfs/dbraw/zinc/68/83/35/628688335.db2.gz OVQDHLIYNJDERW-UHFFFAOYSA-N 1 0 312.417 3.244 20 10 DGCDRO Cc1csc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000824750784 628689522 /nfs/dbraw/zinc/68/95/22/628689522.db2.gz OPVXCZRCXQDNLH-UHFFFAOYSA-N 1 0 320.433 3.322 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000824769696 628691579 /nfs/dbraw/zinc/69/15/79/628691579.db2.gz XXRCXJJOJYCTHE-YPMHNXCESA-N 1 0 323.742 3.242 20 10 DGCDRO Oc1ccccc1C[N@H+](Cc1cnn2c1CCC2)C1CCCC1 ZINC000824778272 628692827 /nfs/dbraw/zinc/69/28/27/628692827.db2.gz RGDCNBTXVAWVPN-UHFFFAOYSA-N 1 0 311.429 3.480 20 10 DGCDRO CC[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000824790487 628693931 /nfs/dbraw/zinc/69/39/31/628693931.db2.gz VSRQKPIPVDOJOS-INIZCTEOSA-N 1 0 319.426 3.037 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC000824798370 628694605 /nfs/dbraw/zinc/69/46/05/628694605.db2.gz DBCAGJYTHCWSRT-KBXCAEBGSA-N 1 0 307.434 3.332 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000824798568 628694814 /nfs/dbraw/zinc/69/48/14/628694814.db2.gz DZHLTFUTPXYSQC-KDOFPFPSSA-N 1 0 307.434 3.332 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@H]1C ZINC000824815771 628697526 /nfs/dbraw/zinc/69/75/26/628697526.db2.gz YZCJLJUBKVVMMN-YGRLFVJLSA-N 1 0 314.223 3.012 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c(O)c1 ZINC000824845368 628699163 /nfs/dbraw/zinc/69/91/63/628699163.db2.gz KFDCQLAXCQJSRU-WMZOPIPTSA-N 1 0 309.450 3.170 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1Cl ZINC000824913257 628705671 /nfs/dbraw/zinc/70/56/71/628705671.db2.gz NBELEVOYHVTXDH-HIFRSBDPSA-N 1 0 313.850 3.060 20 10 DGCDRO CC[C@@H]([NH2+]C(COC)COC)c1ccc(C(F)(F)F)cc1O ZINC000824925739 628708230 /nfs/dbraw/zinc/70/82/30/628708230.db2.gz DUEJWJVPFAHVLK-CYBMUJFWSA-N 1 0 321.339 3.113 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1C ZINC000824952718 628710081 /nfs/dbraw/zinc/71/00/81/628710081.db2.gz DIUCBTCULKKKPM-IEBWSBKVSA-N 1 0 312.413 3.414 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1C ZINC000824949411 628710084 /nfs/dbraw/zinc/71/00/84/628710084.db2.gz YCBDHSBKNKXZPC-IEBWSBKVSA-N 1 0 312.413 3.409 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c1 ZINC000824971499 628711998 /nfs/dbraw/zinc/71/19/98/628711998.db2.gz SAATZYXTMSCVBG-ZDUSSCGKSA-N 1 0 304.217 3.464 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc3c2OCCO3)cc1Cl ZINC000825038086 628719673 /nfs/dbraw/zinc/71/96/73/628719673.db2.gz QDOVKPAEIFZQFZ-UHFFFAOYSA-N 1 0 319.788 3.415 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCOC[C@@H]2CCCO2)cc1Cl ZINC000825065089 628724525 /nfs/dbraw/zinc/72/45/25/628724525.db2.gz RUNGFYKFICBRBT-AWEZNQCLSA-N 1 0 313.825 3.029 20 10 DGCDRO Cc1cccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1O ZINC000825111365 628729450 /nfs/dbraw/zinc/72/94/50/628729450.db2.gz MWUVMARTYLILNV-HUUCEWRRSA-N 1 0 324.424 3.157 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C2CCC3(CC2)OCCO3)cc1Cl ZINC000825124990 628730710 /nfs/dbraw/zinc/73/07/10/628730710.db2.gz CAUFAJPJDMEKNN-UHFFFAOYSA-N 1 0 311.809 3.129 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C2CCC(OC(F)F)CC2)c1 ZINC000825143251 628731942 /nfs/dbraw/zinc/73/19/42/628731942.db2.gz CSANDSXEXKYQIT-UHFFFAOYSA-N 1 0 315.360 3.431 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(OCCOC(C)C)CC2)cc1C ZINC000825208095 628737753 /nfs/dbraw/zinc/73/77/53/628737753.db2.gz ROCOUZCJWFKXHF-UHFFFAOYSA-N 1 0 321.461 3.415 20 10 DGCDRO COC(=O)c1oc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1C ZINC000825265459 628744366 /nfs/dbraw/zinc/74/43/66/628744366.db2.gz AQEFFNDRSOHUQV-UHFFFAOYSA-N 1 0 316.401 3.039 20 10 DGCDRO Cc1cccc([C@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825346760 628752497 /nfs/dbraw/zinc/75/24/97/628752497.db2.gz GFIODMBSFYYPHD-QGZVFWFLSA-N 1 0 305.805 3.486 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000825365115 628753504 /nfs/dbraw/zinc/75/35/04/628753504.db2.gz FSHLPLKNDPKQMH-LBPRGKRZSA-N 1 0 322.206 3.045 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2CCO)c(O)c(C(C)(C)C)c1 ZINC000825566893 628774136 /nfs/dbraw/zinc/77/41/36/628774136.db2.gz BKXIZOOYFJQYBQ-AWEZNQCLSA-N 1 0 307.434 3.045 20 10 DGCDRO COc1cc(C[N@H+](CCO)C2CCC2)c(O)c(C(C)(C)C)c1 ZINC000825634114 628779663 /nfs/dbraw/zinc/77/96/63/628779663.db2.gz IZCQTQVDGMFCEL-UHFFFAOYSA-N 1 0 307.434 3.045 20 10 DGCDRO COCCC1([NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000825749115 628793816 /nfs/dbraw/zinc/79/38/16/628793816.db2.gz OIKXGTDBZIYGDC-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO Cc1ccncc1C[N@H+](C)Cc1ccc(Br)cc1O ZINC000825748720 628793835 /nfs/dbraw/zinc/79/38/35/628793835.db2.gz HNLHQHCSEDJMDB-UHFFFAOYSA-N 1 0 321.218 3.490 20 10 DGCDRO Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)c(C)cc2O)o1 ZINC000825754098 628794501 /nfs/dbraw/zinc/79/45/01/628794501.db2.gz ZULNVTOYEQBAIB-UHFFFAOYSA-N 1 0 309.793 3.250 20 10 DGCDRO CCC(CC)(CCO)[NH2+]Cc1ccc(Br)cc1O ZINC000825784745 628797380 /nfs/dbraw/zinc/79/73/80/628797380.db2.gz NMCMSFXAAVCMFG-UHFFFAOYSA-N 1 0 316.239 3.186 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](c3nccn3C)C2)cc1Cl ZINC000825928212 628810827 /nfs/dbraw/zinc/81/08/27/628810827.db2.gz NUMXYOBARHXOBC-LBPRGKRZSA-N 1 0 305.809 3.077 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](O)C2(C)C)c(O)c(C(C)(C)C)c1 ZINC000825956240 628815049 /nfs/dbraw/zinc/81/50/49/628815049.db2.gz ZTDIDILPDSSDNV-HNNXBMFYSA-N 1 0 307.434 3.044 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000826020035 628820920 /nfs/dbraw/zinc/82/09/20/628820920.db2.gz OEYIRMHFEPJNIT-KRWDZBQOSA-N 1 0 317.477 3.023 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826083440 628826752 /nfs/dbraw/zinc/82/67/52/628826752.db2.gz FRWJGZHODOSSGO-OCCSQVGLSA-N 1 0 311.809 3.175 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000826097029 628827888 /nfs/dbraw/zinc/82/78/88/628827888.db2.gz MNGMTFPJIVCAMD-TVQRCGJNSA-N 1 0 323.742 3.099 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2COC(C)(C)C2)c1O ZINC000826796055 628888400 /nfs/dbraw/zinc/88/84/00/628888400.db2.gz GPHAZIOXQBCVHJ-LBPRGKRZSA-N 1 0 314.223 3.120 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1Cl ZINC000826910442 628902432 /nfs/dbraw/zinc/90/24/32/628902432.db2.gz HWFOUOGKQZVVOJ-VFGMZZLHSA-N 1 0 315.866 3.133 20 10 DGCDRO CCc1ccc(C)[nH+]c1NCc1cc(OC)c(OC)cc1O ZINC000826910449 628902593 /nfs/dbraw/zinc/90/25/93/628902593.db2.gz ICVBZYXXOAYKPV-UHFFFAOYSA-N 1 0 302.374 3.287 20 10 DGCDRO CCOc1ccc(C[NH+]2CC(COC)(C3CCC3)C2)c(O)c1 ZINC000827011237 628912673 /nfs/dbraw/zinc/91/26/73/628912673.db2.gz GRBMNPDHHDBJIK-UHFFFAOYSA-N 1 0 305.418 3.039 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c1O ZINC000827319231 628949080 /nfs/dbraw/zinc/94/90/80/628949080.db2.gz AZSXDYXHQLVDQF-WMZOPIPTSA-N 1 0 313.445 3.189 20 10 DGCDRO CCc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)cc[nH+]1 ZINC000827457569 628961297 /nfs/dbraw/zinc/96/12/97/628961297.db2.gz AIXXKFFDXZZHNB-OAHLLOKOSA-N 1 0 311.429 3.076 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1O ZINC000827545219 628969412 /nfs/dbraw/zinc/96/94/12/628969412.db2.gz WXWAIWHFIKXIDK-QGZVFWFLSA-N 1 0 312.413 3.112 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H](C)C2CCC(F)CC2)cc1OC ZINC000827538066 628969458 /nfs/dbraw/zinc/96/94/58/628969458.db2.gz MWWTXKARIYVMPW-DCBWTQNWSA-N 1 0 311.397 3.416 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1Cl ZINC000827554395 628969978 /nfs/dbraw/zinc/96/99/78/628969978.db2.gz DHIRBMNBBLHQND-LBPRGKRZSA-N 1 0 324.852 3.091 20 10 DGCDRO C[C@@H](O)C1([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000827585582 628973587 /nfs/dbraw/zinc/97/35/87/628973587.db2.gz MCZGPTGJGRWFHV-MRXNPFEDSA-N 1 0 322.452 3.252 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000827596674 628975409 /nfs/dbraw/zinc/97/54/09/628975409.db2.gz ZHCQBRWTZRXCRJ-ZWKOTPCHSA-N 1 0 300.446 3.145 20 10 DGCDRO CC1=CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000827661578 628980781 /nfs/dbraw/zinc/98/07/81/628980781.db2.gz BGSKNLWZRFXDEI-QGZVFWFLSA-N 1 0 300.446 3.236 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)cc1F ZINC000827698654 628983844 /nfs/dbraw/zinc/98/38/44/628983844.db2.gz AEJABOGYEVTOMX-RDTXWAMCSA-N 1 0 308.441 3.122 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](CO)c2ccc(F)cc2F)c1O ZINC000827716408 628985147 /nfs/dbraw/zinc/98/51/47/628985147.db2.gz ZHXVVHGBPOMPCN-MRXNPFEDSA-N 1 0 307.340 3.056 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000827750164 628988195 /nfs/dbraw/zinc/98/81/95/628988195.db2.gz AILGYSJMHCWSNC-ZBFHGGJFSA-N 1 0 311.809 3.257 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC2(CC(N)=O)CCCCC2)cc1Cl ZINC000827750420 628988213 /nfs/dbraw/zinc/98/82/13/628988213.db2.gz GYBKTFOKDRXTLJ-UHFFFAOYSA-N 1 0 324.852 3.270 20 10 DGCDRO Cc1cccc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)c1O ZINC000827757562 628988972 /nfs/dbraw/zinc/98/89/72/628988972.db2.gz DXRIVNUPNHXUIY-UHFFFAOYSA-N 1 0 307.296 3.312 20 10 DGCDRO C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1O ZINC000827978023 629010581 /nfs/dbraw/zinc/01/05/81/629010581.db2.gz GOSGLJBSPCLFMA-HNNXBMFYSA-N 1 0 324.424 3.479 20 10 DGCDRO c1[nH]nc2c1C[N@H+](Cc1ccc(N3CCCCC3)cc1)CCC2 ZINC000828013733 629013981 /nfs/dbraw/zinc/01/39/81/629013981.db2.gz IVKAOBCBZGKBSD-UHFFFAOYSA-N 1 0 310.445 3.348 20 10 DGCDRO CCc1cccc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1O ZINC000828013844 629014408 /nfs/dbraw/zinc/01/44/08/629014408.db2.gz LYKUYUZPDOGQLQ-UHFFFAOYSA-N 1 0 313.445 3.273 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@](C)(O)C2)ccc1N1CCCCC1 ZINC000828582827 629070609 /nfs/dbraw/zinc/07/06/09/629070609.db2.gz LQNRCFDVHUHDTB-IBGZPJMESA-N 1 0 302.462 3.332 20 10 DGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c(C)c1)C1CC1 ZINC000828721862 629085182 /nfs/dbraw/zinc/08/51/82/629085182.db2.gz HKRMVHSIMMEJEG-GOSISDBHSA-N 1 0 302.462 3.500 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H](F)C3)cc2)CC1 ZINC000828736592 629086853 /nfs/dbraw/zinc/08/68/53/629086853.db2.gz HHYFYXWCVWNEAY-BEFAXECRSA-N 1 0 320.452 3.482 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@]2(C)CO)ccc1N1CCCCC1 ZINC000828869016 629103382 /nfs/dbraw/zinc/10/33/82/629103382.db2.gz YHKRMNHWWUXLIF-LJQANCHMSA-N 1 0 302.462 3.332 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000828987793 629117391 /nfs/dbraw/zinc/11/73/91/629117391.db2.gz LQKNTTXBBHQPHG-LPHOPBHVSA-N 1 0 302.462 3.188 20 10 DGCDRO CC[C@]1(O)CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828990327 629117548 /nfs/dbraw/zinc/11/75/48/629117548.db2.gz CDVDRHBRZJAYPR-IBGZPJMESA-N 1 0 302.462 3.332 20 10 DGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCCC(C)(C)C2)cc1 ZINC000832266832 629457684 /nfs/dbraw/zinc/45/76/84/629457684.db2.gz JLZLTGDGJGDSHT-RDJZCZTQSA-N 1 0 317.477 3.085 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCC(C)(C)C2)cc1 ZINC000832266830 629457731 /nfs/dbraw/zinc/45/77/31/629457731.db2.gz JLZLTGDGJGDSHT-DOTOQJQBSA-N 1 0 317.477 3.085 20 10 DGCDRO COc1cccc(O[C@@H](C)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000834602819 629738789 /nfs/dbraw/zinc/73/87/89/629738789.db2.gz VDAVMMYTIMYCQM-SUMWQHHRSA-N 1 0 313.397 3.445 20 10 DGCDRO CN(C)C1(C[NH2+][C@H]2CCc3cccc(O)c32)Cc2ccccc2C1 ZINC000834602080 629739190 /nfs/dbraw/zinc/73/91/90/629739190.db2.gz ISLDIVLSSROHDG-SFHVURJKSA-N 1 0 322.452 3.068 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCOc1ccc(F)cc1F)CC2 ZINC000834617406 629740499 /nfs/dbraw/zinc/74/04/99/629740499.db2.gz YDDZCKFANXALHR-CQSZACIVSA-N 1 0 305.324 3.326 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C(=O)N1c1ccccc1 ZINC000834674003 629754458 /nfs/dbraw/zinc/75/44/58/629754458.db2.gz ZRYXPKHPKLVGLQ-COXVUDFISA-N 1 0 322.408 3.163 20 10 DGCDRO C[NH+]1CCN(c2ccc(N[C@H]3CCc4cccc(O)c43)cc2)CC1 ZINC000834740874 629771963 /nfs/dbraw/zinc/77/19/63/629771963.db2.gz ABWXREJQOKOMNM-SFHVURJKSA-N 1 0 323.440 3.243 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000834820784 629784366 /nfs/dbraw/zinc/78/43/66/629784366.db2.gz CUZDTAHSRUUHDJ-NEPJUHHUSA-N 1 0 319.836 3.213 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000834822330 629784491 /nfs/dbraw/zinc/78/44/91/629784491.db2.gz WXVCFNWWZMBHJN-NEPJUHHUSA-N 1 0 319.836 3.213 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cc(Cl)ccc1O ZINC000834828549 629785392 /nfs/dbraw/zinc/78/53/92/629785392.db2.gz VNSBKQATIJQIPM-ABAIWWIYSA-N 1 0 323.795 3.439 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC000834828801 629785842 /nfs/dbraw/zinc/78/58/42/629785842.db2.gz ZYDMKXFTEUBGKP-BBRMVZONSA-N 1 0 303.377 3.094 20 10 DGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)Cc1ccccc1 ZINC000834857055 629791593 /nfs/dbraw/zinc/79/15/93/629791593.db2.gz YLDBOEYZJBXBFF-XJKSGUPXSA-N 1 0 303.377 3.440 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CC)c1cc(Cl)ccc1O)[C@H](O)C(F)F ZINC000834875954 629795291 /nfs/dbraw/zinc/79/52/91/629795291.db2.gz WDGYEXUAPZTVET-LOWVWBTDSA-N 1 0 307.768 3.491 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c(O)c1 ZINC000834899396 629802101 /nfs/dbraw/zinc/80/21/01/629802101.db2.gz PRFQABIWEDXVNR-IYOUNJFTSA-N 1 0 315.417 3.005 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c(O)c1 ZINC000834910960 629806756 /nfs/dbraw/zinc/80/67/56/629806756.db2.gz HADDUTGDVOWPSY-JJRVBVJISA-N 1 0 315.417 3.005 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c1 ZINC000834910830 629806922 /nfs/dbraw/zinc/80/69/22/629806922.db2.gz FWPZDWZDWSXQTD-ZQIUZPCESA-N 1 0 315.417 3.005 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000834915067 629807236 /nfs/dbraw/zinc/80/72/36/629807236.db2.gz PNDUHFGESSQNRU-JHJVBQTASA-N 1 0 303.324 3.365 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000834914552 629807426 /nfs/dbraw/zinc/80/74/26/629807426.db2.gz NPSBBVOZUPXANK-NJZAAPMLSA-N 1 0 322.836 3.158 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(Br)cc1O ZINC000834915697 629808252 /nfs/dbraw/zinc/80/82/52/629808252.db2.gz SAKSKZRZLNNRLQ-CKYFFXLPSA-N 1 0 314.223 3.373 20 10 DGCDRO CCN1CCC([N@H+](C)C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835025325 629827457 /nfs/dbraw/zinc/82/74/57/629827457.db2.gz IBWNVCIRDKUJJG-SREVYHEPSA-N 1 0 301.478 3.182 20 10 DGCDRO CCC[N@H+](C)C[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027116 629827625 /nfs/dbraw/zinc/82/76/25/629827625.db2.gz BJQSDCNUTLPSRF-GHOSXJJBSA-N 1 0 315.505 3.430 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000835027922 629828930 /nfs/dbraw/zinc/82/89/30/629828930.db2.gz OIUXEHFGWKKCJG-CYXJOQHWSA-N 1 0 313.489 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](c2ccco2)N(C)C)cc1 ZINC000835034921 629830245 /nfs/dbraw/zinc/83/02/45/629830245.db2.gz ZVSDEMVDUQGJIX-LZCIBIBXSA-N 1 0 313.445 3.251 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000835034671 629830527 /nfs/dbraw/zinc/83/05/27/629830527.db2.gz CKZWVTRRPUIWFA-DPZZJQGRSA-N 1 0 310.441 3.397 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)c2ccccc2F)cc1 ZINC000835036973 629830961 /nfs/dbraw/zinc/83/09/61/629830961.db2.gz SPHLMOHAKBJCHV-VOFKWLDRSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000835039294 629831381 /nfs/dbraw/zinc/83/13/81/629831381.db2.gz CSTKMNLJKUCLGC-ROUKRRSUSA-N 1 0 310.441 3.479 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000835037561 629831409 /nfs/dbraw/zinc/83/14/09/629831409.db2.gz QPZBZXXKYSHGKL-ARJAWSKDSA-N 1 0 323.431 3.085 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CO)C2CCCCC2)cc1 ZINC000835041357 629831883 /nfs/dbraw/zinc/83/18/83/629831883.db2.gz BRDXRYUOOBGVJV-GHOSXJJBSA-N 1 0 302.462 3.297 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)c2ccsc2)cc1 ZINC000835041363 629832093 /nfs/dbraw/zinc/83/20/93/629832093.db2.gz WYWOHIYTPQSETC-IDOMTICXSA-N 1 0 302.443 3.151 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000835043390 629832909 /nfs/dbraw/zinc/83/29/09/629832909.db2.gz QHVBJSIISJQZTA-IBMHEYTHSA-N 1 0 300.446 3.313 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1 ZINC000835042535 629832991 /nfs/dbraw/zinc/83/29/91/629832991.db2.gz JBCNCRGRUXASHS-QWNKOJSDSA-N 1 0 316.445 3.041 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000835046715 629835005 /nfs/dbraw/zinc/83/50/05/629835005.db2.gz MGROWFYTGGKNDS-HYIIBOEBSA-N 1 0 300.446 3.313 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000835047308 629835415 /nfs/dbraw/zinc/83/54/15/629835415.db2.gz FWWDAOOWLSDBNR-WWAPKCSDSA-N 1 0 300.446 3.313 20 10 DGCDRO COc1cccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1O ZINC000835053939 629837378 /nfs/dbraw/zinc/83/73/78/629837378.db2.gz QIWHDDGDCILYSJ-AATRIKPKSA-N 1 0 312.413 3.270 20 10 DGCDRO Cc1cnn([C@H]2CC[N@@H+](C/C=C\c3ccc(N(C)C)cc3)C2)c1 ZINC000835052666 629837433 /nfs/dbraw/zinc/83/74/33/629837433.db2.gz ILNPBORSSVVLGW-HMECNJMJSA-N 1 0 310.445 3.218 20 10 DGCDRO CC[C@@H](C)[NH+]1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835053881 629837707 /nfs/dbraw/zinc/83/77/07/629837707.db2.gz FUMNILFRTTUJTH-DKRLNXSXSA-N 1 0 301.478 3.182 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000835055538 629838351 /nfs/dbraw/zinc/83/83/51/629838351.db2.gz VTRLDFCJBBDASF-LJGDMLDFSA-N 1 0 314.473 3.391 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C(C)(C)CN2CCCC2)cc1 ZINC000835054884 629838667 /nfs/dbraw/zinc/83/86/67/629838667.db2.gz MQOYRMLTKRFXGQ-FPLPWBNLSA-N 1 0 301.478 3.230 20 10 DGCDRO CC(C)[C@]1(CO)CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835055488 629838731 /nfs/dbraw/zinc/83/87/31/629838731.db2.gz KUFCJMFMNXZPHG-ZEZYUPADSA-N 1 0 316.489 3.496 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055544 629838855 /nfs/dbraw/zinc/83/88/55/629838855.db2.gz VXJOZOHRLSBXTC-IBQUMJASSA-N 1 0 316.445 3.087 20 10 DGCDRO CC(C)[C@]1(CO)CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835055487 629839047 /nfs/dbraw/zinc/83/90/47/629839047.db2.gz KUFCJMFMNXZPHG-MWGFUINXSA-N 1 0 316.489 3.496 20 10 DGCDRO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[N@@H+](C2CC2)C1 ZINC000835055549 629839653 /nfs/dbraw/zinc/83/96/53/629839653.db2.gz WATDATCUXOHLKZ-LAQIPUCWSA-N 1 0 313.489 3.182 20 10 DGCDRO FC1(F)CC(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000835059846 629841092 /nfs/dbraw/zinc/84/10/92/629841092.db2.gz FGYUUMIWERZMSX-UHFFFAOYSA-N 1 0 310.388 3.048 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c(O)c1 ZINC000835066153 629842885 /nfs/dbraw/zinc/84/28/85/629842885.db2.gz OYJGIMISDOEXGO-SFHVURJKSA-N 1 0 321.461 3.458 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccn(C)n1 ZINC000840817467 630362432 /nfs/dbraw/zinc/36/24/32/630362432.db2.gz TXABJUNBEIZNFE-VHSXEESVSA-N 1 0 324.222 3.300 20 10 DGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000840847001 630366352 /nfs/dbraw/zinc/36/63/52/630366352.db2.gz JJPPOABPCZEPQH-LSKLOWJMSA-N 1 0 301.361 3.494 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840876200 630370180 /nfs/dbraw/zinc/37/01/80/630370180.db2.gz OHDXBZAEXPFUHX-UHFFFAOYSA-N 1 0 312.841 3.092 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c(Cl)c1 ZINC000840873417 630370206 /nfs/dbraw/zinc/37/02/06/630370206.db2.gz AZDMYVMGNUBVLF-CYBMUJFWSA-N 1 0 317.820 3.100 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC000840875231 630370340 /nfs/dbraw/zinc/37/03/40/630370340.db2.gz KJYZUBHKDQPSOL-QGZVFWFLSA-N 1 0 321.804 3.186 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc3c2OCO3)c(Cl)c1 ZINC000840880153 630371296 /nfs/dbraw/zinc/37/12/96/630371296.db2.gz AXNQYVJLSGFKBQ-UHFFFAOYSA-N 1 0 305.761 3.373 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)c1 ZINC000840882091 630371546 /nfs/dbraw/zinc/37/15/46/630371546.db2.gz SSHPEKUAPQDAGO-DZGCQCFKSA-N 1 0 303.377 3.266 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCC(=O)N2CCCCCC2)c(Cl)c1 ZINC000840886585 630372430 /nfs/dbraw/zinc/37/24/30/630372430.db2.gz HYIXRQPTHJEWIU-UHFFFAOYSA-N 1 0 324.852 3.236 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000840892564 630373895 /nfs/dbraw/zinc/37/38/95/630373895.db2.gz BANNPEGDYXNGQR-BQFCYCMXSA-N 1 0 303.494 3.064 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000840893389 630373984 /nfs/dbraw/zinc/37/39/84/630373984.db2.gz IYDKLYWBNNTDJG-JZXOWHBKSA-N 1 0 315.505 3.207 20 10 DGCDRO COC(=O)CCC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840918575 630378066 /nfs/dbraw/zinc/37/80/66/630378066.db2.gz VLVOLBOWVIXVAP-UHFFFAOYSA-N 1 0 318.461 3.226 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000840927716 630379304 /nfs/dbraw/zinc/37/93/04/630379304.db2.gz APRWJRPOAIEKCV-GOSISDBHSA-N 1 0 320.383 3.162 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CCO)c1cccs1 ZINC000840934122 630380071 /nfs/dbraw/zinc/38/00/71/630380071.db2.gz MJIAMMLWKVAYRH-MRXNPFEDSA-N 1 0 304.459 3.336 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c(F)c1 ZINC000840939551 630381095 /nfs/dbraw/zinc/38/10/95/630381095.db2.gz VLFXYIBADORDEY-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000840942428 630382027 /nfs/dbraw/zinc/38/20/27/630382027.db2.gz MTUXLUMEPCKQJK-NRFANRHFSA-N 1 0 324.468 3.375 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000840950914 630383221 /nfs/dbraw/zinc/38/32/21/630383221.db2.gz QPJKZTBXUMEYTQ-MRXNPFEDSA-N 1 0 302.462 3.500 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840952962 630383223 /nfs/dbraw/zinc/38/32/23/630383223.db2.gz CZWIYFBSWRANIE-UHFFFAOYSA-N 1 0 303.793 3.215 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000840951325 630383361 /nfs/dbraw/zinc/38/33/61/630383361.db2.gz WJGASZROOIXABG-NOZJJQNGSA-N 1 0 323.742 3.099 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840956152 630384714 /nfs/dbraw/zinc/38/47/14/630384714.db2.gz HJOQFQOCQJZHDN-JKSUJKDBSA-N 1 0 303.789 3.354 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000840958231 630384755 /nfs/dbraw/zinc/38/47/55/630384755.db2.gz OAZWMDABKJDGAZ-VQIMIIECSA-N 1 0 314.404 3.200 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1F ZINC000840958226 630385480 /nfs/dbraw/zinc/38/54/80/630385480.db2.gz OAZWMDABKJDGAZ-LPHOPBHVSA-N 1 0 314.404 3.200 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1C ZINC000840963113 630387200 /nfs/dbraw/zinc/38/72/00/630387200.db2.gz LDISTTUHSRUUJI-MRXNPFEDSA-N 1 0 303.377 3.008 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1 ZINC000840968642 630387985 /nfs/dbraw/zinc/38/79/85/630387985.db2.gz BQSHARDXCXWCJP-GOSISDBHSA-N 1 0 319.445 3.428 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](CC)[C@@H](O)C(C)C)ccc1OC ZINC000840966494 630388164 /nfs/dbraw/zinc/38/81/64/630388164.db2.gz GNSVIJDSUHPCMM-WMZOPIPTSA-N 1 0 309.450 3.117 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)C2(OC)CCC2)ccc1OC ZINC000840969515 630388301 /nfs/dbraw/zinc/38/83/01/630388301.db2.gz GRNSLKLMMAHJPU-CQSZACIVSA-N 1 0 307.434 3.279 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c(O)c1 ZINC000840970406 630388698 /nfs/dbraw/zinc/38/86/98/630388698.db2.gz QEFAMXDNXSATGG-GOSISDBHSA-N 1 0 319.445 3.428 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cc(F)ncc1F ZINC000840975083 630389406 /nfs/dbraw/zinc/38/94/06/630389406.db2.gz CNTROTOYMAALSA-ZDUSSCGKSA-N 1 0 319.399 3.455 20 10 DGCDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840977074 630390012 /nfs/dbraw/zinc/39/00/12/630390012.db2.gz QREMARGOBYFAQD-HNNXBMFYSA-N 1 0 320.477 3.171 20 10 DGCDRO C[C@@H]([NH3+])c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000841028355 630398316 /nfs/dbraw/zinc/39/83/16/630398316.db2.gz PBKRHYSDXPONCO-OAHLLOKOSA-N 1 0 311.429 3.155 20 10 DGCDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000841035406 630399956 /nfs/dbraw/zinc/39/99/56/630399956.db2.gz NJLRZCJROLLYIZ-OXQOHEQNSA-N 1 0 309.457 3.236 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CN)C2CCCCC2)cc1 ZINC000841039398 630400740 /nfs/dbraw/zinc/40/07/40/630400740.db2.gz NLVOZRPHMKQYNE-GHOSXJJBSA-N 1 0 301.478 3.263 20 10 DGCDRO [NH3+]C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCCCC1 ZINC000841044138 630401193 /nfs/dbraw/zinc/40/11/93/630401193.db2.gz WPABQWJUIRLGPI-UHFFFAOYSA-N 1 0 300.805 3.326 20 10 DGCDRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044732 630401228 /nfs/dbraw/zinc/40/12/28/630401228.db2.gz FKMSMFDWWMHEBS-CXAGYDPISA-N 1 0 303.475 3.035 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000841073720 630405033 /nfs/dbraw/zinc/40/50/33/630405033.db2.gz WOTSCJHVYNRRIU-GFCCVEGCSA-N 1 0 303.233 3.321 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc3c2CCCN3)c1 ZINC000841082996 630405498 /nfs/dbraw/zinc/40/54/98/630405498.db2.gz LIPAFMSLDAXOJF-UHFFFAOYSA-N 1 0 312.413 3.439 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O ZINC000841747681 630461977 /nfs/dbraw/zinc/46/19/77/630461977.db2.gz DIGIWJSDWCEGHI-CMPLNLGQSA-N 1 0 310.825 3.096 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841751539 630462193 /nfs/dbraw/zinc/46/21/93/630462193.db2.gz HVQFRIAKDYVIPD-DOMZBBRYSA-N 1 0 305.805 3.300 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841751542 630462257 /nfs/dbraw/zinc/46/22/57/630462257.db2.gz HVQFRIAKDYVIPD-SWLSCSKDSA-N 1 0 305.805 3.300 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(Cl)cc1O ZINC000841756227 630462385 /nfs/dbraw/zinc/46/23/85/630462385.db2.gz WCILOQGULPEAJA-NHYWBVRUSA-N 1 0 314.882 3.134 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000841994555 630477761 /nfs/dbraw/zinc/47/77/61/630477761.db2.gz JAOFFSFKDPHJNV-OAHLLOKOSA-N 1 0 321.465 3.221 20 10 DGCDRO COCCCC[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000842171001 630502032 /nfs/dbraw/zinc/50/20/32/630502032.db2.gz GXUMKBONGKYAQH-UHFFFAOYSA-N 1 0 320.477 3.160 20 10 DGCDRO CCN(C[C@@H](C[NH3+])c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000842471746 630538694 /nfs/dbraw/zinc/53/86/94/630538694.db2.gz WUFQVNSZJSNZSQ-MRXNPFEDSA-N 1 0 314.429 3.273 20 10 DGCDRO C[N@H+](Cc1cc2c(cc1O)CCC2)C[C@]1(O)CCc2ccccc21 ZINC000842623276 630554760 /nfs/dbraw/zinc/55/47/60/630554760.db2.gz LHSGKHBVLRDHGC-OAQYLSRUSA-N 1 0 323.436 3.147 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000842622194 630555347 /nfs/dbraw/zinc/55/53/47/630555347.db2.gz GRHZKRQZAWMPNS-SFHVURJKSA-N 1 0 315.438 3.253 20 10 DGCDRO C[C@H]1CC2(C[N@@H+]1Cc1cc3c(cc1O)CCC3)CCOCC2 ZINC000842638191 630557111 /nfs/dbraw/zinc/55/71/11/630557111.db2.gz XAKAVJOYODEBDT-AWEZNQCLSA-N 1 0 301.430 3.272 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)c2c1c(F)ccc2O ZINC000842894849 630591539 /nfs/dbraw/zinc/59/15/39/630591539.db2.gz IRCKGJAZZSZERU-XHDPSFHLSA-N 1 0 301.361 3.362 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000842926894 630593978 /nfs/dbraw/zinc/59/39/78/630593978.db2.gz AVYOJJGSRFBQHI-WOSRLPQWSA-N 1 0 324.465 3.207 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000843044012 630607779 /nfs/dbraw/zinc/60/77/79/630607779.db2.gz FYGKEOANWVZRNV-JBJGNSMKSA-N 1 0 313.489 3.230 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000843054339 630608788 /nfs/dbraw/zinc/60/87/88/630608788.db2.gz LCMJQCRNLHNXRK-UHFFFAOYSA-N 1 0 301.478 3.025 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc2c(s1)CCCC2 ZINC000843058195 630610094 /nfs/dbraw/zinc/61/00/94/630610094.db2.gz OGYQJIZRISJOFX-UHFFFAOYSA-N 1 0 313.470 3.433 20 10 DGCDRO Cc1cc(O)c(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1C ZINC000843120029 630615723 /nfs/dbraw/zinc/61/57/23/630615723.db2.gz ZSSMEIMUOLQBNA-SFHVURJKSA-N 1 0 314.404 3.295 20 10 DGCDRO COc1ccc(N(Cc2cccs2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000843356037 630649397 /nfs/dbraw/zinc/64/93/97/630649397.db2.gz BSFAPQFRNYPSFV-CQSZACIVSA-N 1 0 302.443 3.373 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@H+](CCC[NH3+])CC2CCCC2)c1[O-] ZINC000843384841 630651057 /nfs/dbraw/zinc/65/10/57/630651057.db2.gz CFLYMENRFAKKRG-UHFFFAOYSA-N 1 0 322.424 3.075 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1O ZINC000843415906 630654479 /nfs/dbraw/zinc/65/44/79/630654479.db2.gz FAHHJNPLMLMLKX-CVEARBPZSA-N 1 0 305.418 3.182 20 10 DGCDRO COC(=O)c1cccc2c1C[N@H+](Cc1cc(C)ccc1O)CC2 ZINC000843429525 630657533 /nfs/dbraw/zinc/65/75/33/630657533.db2.gz DRPRUAMVQIAPNU-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1 ZINC000843432150 630658323 /nfs/dbraw/zinc/65/83/23/630658323.db2.gz RFMHRFYTHZTPNB-CQSZACIVSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(C)n1-c1ccccc1C ZINC000843504999 630663421 /nfs/dbraw/zinc/66/34/21/630663421.db2.gz SUYZHJBCJOXFKO-KGLIPLIRSA-N 1 0 313.445 3.258 20 10 DGCDRO CN(C)c1ccc(CN(Cc2cc3n(n2)CCCC3)C2CC2)cc1 ZINC000844277600 630715313 /nfs/dbraw/zinc/71/53/13/630715313.db2.gz DEJJNVVGABQIRG-UHFFFAOYSA-N 1 0 324.472 3.450 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CC[C@H]2CCCCO2)cc1 ZINC000844401096 630724758 /nfs/dbraw/zinc/72/47/58/630724758.db2.gz KHLXOYBLTRMNEN-GOSISDBHSA-N 1 0 306.450 3.022 20 10 DGCDRO C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000844922014 630982951 /nfs/dbraw/zinc/98/29/51/630982951.db2.gz YYNVEZSFKONQOI-JTQLQIEISA-N 1 0 302.340 3.191 20 10 DGCDRO CCCN(Cc1cnnn1-c1ccccc1)c1ccc(C[NH3+])cc1 ZINC000845964804 631203883 /nfs/dbraw/zinc/20/38/83/631203883.db2.gz KXRXSXFNCPWRQX-UHFFFAOYSA-N 1 0 321.428 3.143 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2ccc(C)nc2)c1 ZINC000845970829 631204071 /nfs/dbraw/zinc/20/40/71/631204071.db2.gz CPOAWJLSIPINRR-AWEZNQCLSA-N 1 0 300.402 3.388 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000845971210 631204205 /nfs/dbraw/zinc/20/42/05/631204205.db2.gz INPTUUXQTJZMJO-BHDSKKPTSA-N 1 0 319.323 3.161 20 10 DGCDRO CC[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccccc1O ZINC000846012372 631205927 /nfs/dbraw/zinc/20/59/27/631205927.db2.gz YXGTUBBNQRGTIN-AZUAARDMSA-N 1 0 311.425 3.309 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1 ZINC000846013043 631205992 /nfs/dbraw/zinc/20/59/92/631205992.db2.gz JIGIYTPTGDVCGV-OAVHHTNSSA-N 1 0 319.376 3.313 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1ccccc1F)[C@@H](C)O ZINC000846012613 631206072 /nfs/dbraw/zinc/20/60/72/631206072.db2.gz GFJYMOGSTFBKEU-AUUYWEPGSA-N 1 0 316.420 3.412 20 10 DGCDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000846016803 631206279 /nfs/dbraw/zinc/20/62/79/631206279.db2.gz JTCOTISKRLTAQO-GXFFZTMASA-N 1 0 316.239 3.041 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016163 631206282 /nfs/dbraw/zinc/20/62/82/631206282.db2.gz TZPWERQDXJFYTC-UHFFFAOYSA-N 1 0 307.262 3.398 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)cc1OC ZINC000846035574 631207294 /nfs/dbraw/zinc/20/72/94/631207294.db2.gz HDWXSXFUSXQTEP-CABCVRRESA-N 1 0 317.788 3.204 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@](C)(O)c1ccccc1 ZINC000846039713 631207584 /nfs/dbraw/zinc/20/75/84/631207584.db2.gz REIIPMROSBTYCO-PXAZEXFGSA-N 1 0 305.805 3.431 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)cc1F ZINC000846043333 631207934 /nfs/dbraw/zinc/20/79/34/631207934.db2.gz XMEBSNRDKRYQEG-GOSISDBHSA-N 1 0 306.425 3.187 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c1 ZINC000846044792 631207968 /nfs/dbraw/zinc/20/79/68/631207968.db2.gz QFGIZXUMQNAWEZ-CKFHNAJUSA-N 1 0 315.413 3.348 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@H](C)CO)CC2)cc1 ZINC000846058500 631208571 /nfs/dbraw/zinc/20/85/71/631208571.db2.gz QDKKKEIQNLORHN-MRXNPFEDSA-N 1 0 304.478 3.373 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000846056258 631208749 /nfs/dbraw/zinc/20/87/49/631208749.db2.gz RYXGEGOCWHWGCM-CMPLNLGQSA-N 1 0 309.715 3.245 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)CCF)c1ccc(C(F)(F)F)cc1O ZINC000846096655 631209412 /nfs/dbraw/zinc/20/94/12/631209412.db2.gz JMIANYDKOJHBAU-JQWIXIFHSA-N 1 0 309.303 3.172 20 10 DGCDRO COc1ccc(OC)c(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846135266 631211355 /nfs/dbraw/zinc/21/13/55/631211355.db2.gz BKOKFLPTZJGCGA-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO COCc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846138266 631211431 /nfs/dbraw/zinc/21/14/31/631211431.db2.gz JFDXCCFVVSZIBY-CYBMUJFWSA-N 1 0 301.386 3.398 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccccc2OC)c1O ZINC000846139015 631211463 /nfs/dbraw/zinc/21/14/63/631211463.db2.gz ZMWZUFLZZYJMMO-ZDUSSCGKSA-N 1 0 317.385 3.139 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c1O ZINC000846135978 631211486 /nfs/dbraw/zinc/21/14/86/631211486.db2.gz FUUAATDECKVATF-LBPRGKRZSA-N 1 0 315.369 3.023 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)N2CCC[C@@H](C)C2)c1O ZINC000846140507 631211508 /nfs/dbraw/zinc/21/15/08/631211508.db2.gz VPNVWKGMWRVJFT-ILXRZTDVSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccnc2OC(C)C)c1O ZINC000846140370 631211537 /nfs/dbraw/zinc/21/15/37/631211537.db2.gz PMBQBMHMJGUPBJ-CYBMUJFWSA-N 1 0 316.401 3.434 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)c1O ZINC000846144366 631211762 /nfs/dbraw/zinc/21/17/62/631211762.db2.gz LWSGMHZQSHVURP-STQMWFEESA-N 1 0 301.386 3.305 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2sc(C)nc2C)c1O ZINC000846145130 631211823 /nfs/dbraw/zinc/21/18/23/631211823.db2.gz LRFBYOOJXAMTTC-JTQLQIEISA-N 1 0 306.431 3.367 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1O ZINC000846144980 631211940 /nfs/dbraw/zinc/21/19/40/631211940.db2.gz IXXUFSUTMNONSQ-XYZKALLWSA-N 1 0 305.418 3.255 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2cccc(C)c2)c1O ZINC000846147622 631211999 /nfs/dbraw/zinc/21/19/99/631211999.db2.gz WNKYDMYXMJVCDR-CQSZACIVSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cn3ccc(C)cc3n2)c1O ZINC000846145692 631212016 /nfs/dbraw/zinc/21/20/16/631212016.db2.gz OFYRHGBYAAPNLT-CYBMUJFWSA-N 1 0 311.385 3.208 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c1O ZINC000846148581 631212254 /nfs/dbraw/zinc/21/22/54/631212254.db2.gz RCXPDRGZOAHYQT-GFCCVEGCSA-N 1 0 309.406 3.173 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)c1O ZINC000846157209 631212553 /nfs/dbraw/zinc/21/25/53/631212553.db2.gz SAZTWQUGVAYBPN-VBQJREDUSA-N 1 0 315.413 3.044 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(C)c2)c1O ZINC000846156607 631212596 /nfs/dbraw/zinc/21/25/96/631212596.db2.gz NHSIUHCISVCJGD-XJKSGUPXSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)c2sccc2C)c1O ZINC000846155231 631212617 /nfs/dbraw/zinc/21/26/17/631212617.db2.gz RXUCHGUSOZQZPY-WCQYABFASA-N 1 0 307.415 3.155 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c1O ZINC000846157687 631212736 /nfs/dbraw/zinc/21/27/36/631212736.db2.gz OMKDBLXAOQGEMB-GUYCJALGSA-N 1 0 312.413 3.238 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)c1O ZINC000846158161 631212741 /nfs/dbraw/zinc/21/27/41/631212741.db2.gz UEOLTCAMNOIGOM-QWRGUYRKSA-N 1 0 304.390 3.460 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000846165685 631213021 /nfs/dbraw/zinc/21/30/21/631213021.db2.gz XQCVWQWLRHKRGG-JBBXEZCESA-N 1 0 305.418 3.257 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1O ZINC000846169296 631213245 /nfs/dbraw/zinc/21/32/45/631213245.db2.gz GLBLCLDKBXFKFZ-LBPRGKRZSA-N 1 0 311.385 3.138 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846183454 631214168 /nfs/dbraw/zinc/21/41/68/631214168.db2.gz OKNBCNHSEDDZEW-PRXAMGSTSA-N 1 0 319.376 3.313 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c1O ZINC000846188997 631214377 /nfs/dbraw/zinc/21/43/77/631214377.db2.gz RVSSOBXHYNXTAO-CKFHNAJUSA-N 1 0 315.413 3.348 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(F)ccc1O ZINC000846199979 631214653 /nfs/dbraw/zinc/21/46/53/631214653.db2.gz CWXFBLWNFOGIMB-DWQUBVKVSA-N 1 0 316.376 3.497 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)CCF)c1ccc(N2CCCCC2)c(F)c1 ZINC000846209565 631214852 /nfs/dbraw/zinc/21/48/52/631214852.db2.gz SINZHQYXOHHPES-DZGCQCFKSA-N 1 0 312.404 3.187 20 10 DGCDRO C[NH+](C)CC1(C(=O)NCc2cc(Cl)ccc2O)CCCCC1 ZINC000846472609 631249668 /nfs/dbraw/zinc/24/96/68/631249668.db2.gz BRSIYDIZARNXEQ-UHFFFAOYSA-N 1 0 324.852 3.174 20 10 DGCDRO CCOC(C[N@H+](CC)Cc1ccc(N(C)C)c(C)c1)OCC ZINC000846976694 631372086 /nfs/dbraw/zinc/37/20/86/631372086.db2.gz RBWRXVPJNSSESY-UHFFFAOYSA-N 1 0 308.466 3.282 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848516913 631672788 /nfs/dbraw/zinc/67/27/88/631672788.db2.gz FVNLPYOCYZBUOD-KRWDZBQOSA-N 1 0 311.385 3.438 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)c1 ZINC000848559233 631693178 /nfs/dbraw/zinc/69/31/78/631693178.db2.gz QWXJEHKKRHCRKI-CXAGYDPISA-N 1 0 310.397 3.305 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cccc(C)c2OC)c(O)c1 ZINC000848565667 631694673 /nfs/dbraw/zinc/69/46/73/631694673.db2.gz ZEBWKXJDSCQRQM-UHFFFAOYSA-N 1 0 301.386 3.398 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848575880 631701052 /nfs/dbraw/zinc/70/10/52/631701052.db2.gz XMVZTKJLJUCHBS-UXHICEINSA-N 1 0 313.489 3.393 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1O ZINC000848882811 631769162 /nfs/dbraw/zinc/76/91/62/631769162.db2.gz BVQZWPJUCUAMBK-UHFFFAOYSA-N 1 0 324.424 3.471 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c1O ZINC000848892742 631775465 /nfs/dbraw/zinc/77/54/65/631775465.db2.gz FXBQUGXXDGACCJ-UHFFFAOYSA-N 1 0 311.429 3.240 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cccc(OCCOC)c2)c1O ZINC000848893246 631775533 /nfs/dbraw/zinc/77/55/33/631775533.db2.gz AEQYZWJISURUEP-UHFFFAOYSA-N 1 0 315.413 3.270 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000848894091 631775955 /nfs/dbraw/zinc/77/59/55/631775955.db2.gz CFBXYTUMYJKEIV-LLVKDONJSA-N 1 0 311.385 3.387 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c1O ZINC000848896496 631777535 /nfs/dbraw/zinc/77/75/35/631777535.db2.gz BQFUMVDHCASCPR-SJCJKPOMSA-N 1 0 303.377 3.305 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000848901458 631779275 /nfs/dbraw/zinc/77/92/75/631779275.db2.gz SQBWVVFDTQBQFI-HTAPYJJXSA-N 1 0 317.454 3.164 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c1O ZINC000848900967 631779500 /nfs/dbraw/zinc/77/95/00/631779500.db2.gz SKWIPPNAVFIJEZ-AWEZNQCLSA-N 1 0 322.412 3.386 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2COc3cc(OC)ccc3C2)c1O ZINC000848900774 631779652 /nfs/dbraw/zinc/77/96/52/631779652.db2.gz QBVTVZAKJXELOE-MRXNPFEDSA-N 1 0 313.397 3.057 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)c1O ZINC000848902449 631780033 /nfs/dbraw/zinc/78/00/33/631780033.db2.gz DMQVEXFYXQHRIH-UHFFFAOYSA-N 1 0 309.413 3.440 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000848906425 631782063 /nfs/dbraw/zinc/78/20/63/631782063.db2.gz VEAPSSJSELDXNY-QGZVFWFLSA-N 1 0 313.445 3.379 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000848911235 631782965 /nfs/dbraw/zinc/78/29/65/631782965.db2.gz SFVJTOKZULGKIV-HNNXBMFYSA-N 1 0 317.351 3.234 20 10 DGCDRO CCc1cccc(C[N@H+](CCCOC)Cc2ccncc2)c1O ZINC000848909994 631783011 /nfs/dbraw/zinc/78/30/11/631783011.db2.gz DHLTWGCWFBTUOD-UHFFFAOYSA-N 1 0 314.429 3.388 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)c1O ZINC000848913184 631784225 /nfs/dbraw/zinc/78/42/25/631784225.db2.gz QOVOAGMVKHCQFA-UHFFFAOYSA-N 1 0 322.408 3.096 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000848915832 631785358 /nfs/dbraw/zinc/78/53/58/631785358.db2.gz MKJKXHXPXCVEFO-KURKYZTESA-N 1 0 303.446 3.470 20 10 DGCDRO CCc1cccc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c1O ZINC000848915080 631785421 /nfs/dbraw/zinc/78/54/21/631785421.db2.gz SJXGPJPGPWJIMF-UHFFFAOYSA-N 1 0 301.434 3.346 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1O ZINC000848914110 631785482 /nfs/dbraw/zinc/78/54/82/631785482.db2.gz IGOHGGBPFKYHCL-SFHVURJKSA-N 1 0 314.429 3.199 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2ccccn2)c1O ZINC000848925705 631789851 /nfs/dbraw/zinc/78/98/51/631789851.db2.gz DEKUJYKWNFHEOX-LLVKDONJSA-N 1 0 306.793 3.170 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000848925622 631790215 /nfs/dbraw/zinc/79/02/15/631790215.db2.gz ZGYMMSZUCKPCCA-QGZVFWFLSA-N 1 0 305.418 3.324 20 10 DGCDRO COc1ccc(CNC(=[NH2+])N[C@H](C)CCCC(C)C)c(O)c1 ZINC000849025261 631810279 /nfs/dbraw/zinc/81/02/79/631810279.db2.gz WMEZIOOLBMJJLC-CYBMUJFWSA-N 1 0 307.438 3.230 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(N)c3)CC2)cc1 ZINC000849350302 631900273 /nfs/dbraw/zinc/90/02/73/631900273.db2.gz NGAKZRXDYMUZJF-UHFFFAOYSA-N 1 0 311.429 3.036 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H](C2CC2)N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850036172 632034199 /nfs/dbraw/zinc/03/41/99/632034199.db2.gz LYIDNDGTBWSRSE-KRWDZBQOSA-N 1 0 320.477 3.128 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H](C)N(C)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850121181 632060943 /nfs/dbraw/zinc/06/09/43/632060943.db2.gz OBJFJBLHGONBAY-CYBMUJFWSA-N 1 0 320.477 3.271 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)CC1 ZINC000850128392 632062268 /nfs/dbraw/zinc/06/22/68/632062268.db2.gz ATIIMLZATUZKNT-UHFFFAOYSA-N 1 0 324.472 3.355 20 10 DGCDRO COc1cc(C[NH2+]C[C@](C)(O)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850133723 632062746 /nfs/dbraw/zinc/06/27/46/632062746.db2.gz KFFDYVVHPBVNMW-SFHVURJKSA-N 1 0 309.450 3.195 20 10 DGCDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850133926 632062803 /nfs/dbraw/zinc/06/28/03/632062803.db2.gz OAYBMHWKOGQGIQ-GOSISDBHSA-N 1 0 309.450 3.339 20 10 DGCDRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850160183 632068645 /nfs/dbraw/zinc/06/86/45/632068645.db2.gz QBOIZMZQKMWFES-STQMWFEESA-N 1 0 307.434 3.213 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(C)C ZINC000850158883 632068675 /nfs/dbraw/zinc/06/86/75/632068675.db2.gz SZWUURWQSOERNO-INIZCTEOSA-N 1 0 309.450 3.459 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850234569 632089584 /nfs/dbraw/zinc/08/95/84/632089584.db2.gz IHESYCOWPCWSQV-OCCSQVGLSA-N 1 0 307.434 3.355 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850234566 632089880 /nfs/dbraw/zinc/08/98/80/632089880.db2.gz IHESYCOWPCWSQV-JSGCOSHPSA-N 1 0 307.434 3.355 20 10 DGCDRO CCCn1nccc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000850326614 632113898 /nfs/dbraw/zinc/11/38/98/632113898.db2.gz AIIUGPYSFWVMNM-INIZCTEOSA-N 1 0 314.477 3.388 20 10 DGCDRO Cc1nc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)[nH]c1C ZINC000850326753 632114241 /nfs/dbraw/zinc/11/42/41/632114241.db2.gz CRKPTSDXWDTHRL-CYBMUJFWSA-N 1 0 300.450 3.122 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3)C2)cc1 ZINC000850346417 632119889 /nfs/dbraw/zinc/11/98/89/632119889.db2.gz UUILILJOYMILQD-AWEZNQCLSA-N 1 0 318.367 3.342 20 10 DGCDRO COCC1([NH2+]Cc2cc(Br)ccc2O)CCCC1 ZINC000850344973 632120079 /nfs/dbraw/zinc/12/00/79/632120079.db2.gz DKLYNBHKOOVNKB-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO CCc1nc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000850345634 632120154 /nfs/dbraw/zinc/12/01/54/632120154.db2.gz GSDHNGQNJACNPI-ZDUSSCGKSA-N 1 0 317.458 3.083 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(Cl)nc3)C2)cc1 ZINC000850346461 632120320 /nfs/dbraw/zinc/12/03/20/632120320.db2.gz GEDSFAUVINCNKC-AWEZNQCLSA-N 1 0 317.820 3.112 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]CC3(OC)CCCCC3)C2)cc1 ZINC000850346942 632120664 /nfs/dbraw/zinc/12/06/64/632120664.db2.gz LJUPUEQMZNYAGZ-MRXNPFEDSA-N 1 0 318.461 3.213 20 10 DGCDRO COCC1CCC([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850346758 632120749 /nfs/dbraw/zinc/12/07/49/632120749.db2.gz JAPIZVILJCUSMH-OFLPRAFFSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccsc3C)C2)cc1 ZINC000850347179 632121095 /nfs/dbraw/zinc/12/10/95/632121095.db2.gz PGNLOUVTUSPZOO-HNNXBMFYSA-N 1 0 302.443 3.434 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2c(OC)cccc2OC)c1 ZINC000850356332 632123866 /nfs/dbraw/zinc/12/38/66/632123866.db2.gz UPDYBOMEJQDMOI-UHFFFAOYSA-N 1 0 317.385 3.098 20 10 DGCDRO C[C@H](COc1c(F)cccc1F)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000850366954 632126974 /nfs/dbraw/zinc/12/69/74/632126974.db2.gz SETYXSAGLXETST-GFCCVEGCSA-N 1 0 319.351 3.457 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1F ZINC000850368128 632127768 /nfs/dbraw/zinc/12/77/68/632127768.db2.gz UVCPRGGFMNBGSP-OAHLLOKOSA-N 1 0 306.425 3.473 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCCOC(C)(C)C)CC2)cc1 ZINC000850368525 632128265 /nfs/dbraw/zinc/12/82/65/632128265.db2.gz CBRGPUVVLIWPOQ-UHFFFAOYSA-N 1 0 320.477 3.459 20 10 DGCDRO Fc1cc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)ccc1N1CCOCC1 ZINC000850377721 632132119 /nfs/dbraw/zinc/13/21/19/632132119.db2.gz JMTAFGMQKGUYJO-YESZJQIVSA-N 1 0 318.436 3.188 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CN2CCC(C)CC2)c1 ZINC000850387571 632135830 /nfs/dbraw/zinc/13/58/30/632135830.db2.gz UWAXPZYUMAMNAI-OAHLLOKOSA-N 1 0 306.450 3.001 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)CN2CCC(C)CC2)c(O)c1 ZINC000850387549 632135906 /nfs/dbraw/zinc/13/59/06/632135906.db2.gz UNUXTYBGJMMMTO-HNNXBMFYSA-N 1 0 306.450 3.001 20 10 DGCDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1c(O)cccc1Cl ZINC000850391197 632136872 /nfs/dbraw/zinc/13/68/72/632136872.db2.gz IIYHZMCJZPYMBM-UHFFFAOYSA-N 1 0 305.809 3.336 20 10 DGCDRO CNC(=O)CC1(C[NH2+]Cc2c(O)cccc2Cl)CCCCC1 ZINC000850400047 632139965 /nfs/dbraw/zinc/13/99/65/632139965.db2.gz YDRIMHHLELLQIQ-UHFFFAOYSA-N 1 0 324.852 3.222 20 10 DGCDRO Cc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405452 632141381 /nfs/dbraw/zinc/14/13/81/632141381.db2.gz OGISLSRYQVRYQD-UHFFFAOYSA-N 1 0 310.441 3.246 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1O ZINC000850408834 632142924 /nfs/dbraw/zinc/14/29/24/632142924.db2.gz FZYNALMEIGWPEA-BPQIPLTHSA-N 1 0 313.372 3.358 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)c1O ZINC000850421135 632147534 /nfs/dbraw/zinc/14/75/34/632147534.db2.gz VWLXHRJKXVCUQT-SUMWQHHRSA-N 1 0 301.386 3.003 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850474845 632163725 /nfs/dbraw/zinc/16/37/25/632163725.db2.gz QXDVYIFUSAJQST-NVXWUHKLSA-N 1 0 302.462 3.293 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2noc3ccccc23)c1O ZINC000850483755 632166104 /nfs/dbraw/zinc/16/61/04/632166104.db2.gz TVLVZWVVBXIXDN-GFCCVEGCSA-N 1 0 312.369 3.435 20 10 DGCDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(Br)cc1O ZINC000850483590 632166300 /nfs/dbraw/zinc/16/63/00/632166300.db2.gz ZUDVJOCXLINFBO-GXSJLCMTSA-N 1 0 314.223 3.373 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000850484265 632167052 /nfs/dbraw/zinc/16/70/52/632167052.db2.gz FYGLXESRPKOLPD-WPGHFRTFSA-N 1 0 313.825 3.138 20 10 DGCDRO COC[C@@H](CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)OC ZINC000850487201 632167496 /nfs/dbraw/zinc/16/74/96/632167496.db2.gz YEUPBCKESMVKQG-WCQYABFASA-N 1 0 301.814 3.056 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C3CC3)C3CCC3)C2)cc1 ZINC000850485953 632167563 /nfs/dbraw/zinc/16/75/63/632167563.db2.gz DKXLPXHQKIKRST-VQIMIIECSA-N 1 0 300.446 3.442 20 10 DGCDRO CC[C@H]([NH2+]CC[C@H](COC)OC)c1cc(Cl)ccc1O ZINC000850486949 632167929 /nfs/dbraw/zinc/16/79/29/632167929.db2.gz WOXYOHPRDGSTRV-OCCSQVGLSA-N 1 0 301.814 3.138 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cncc(C)c3)C2)cc1 ZINC000850488920 632168277 /nfs/dbraw/zinc/16/82/77/632168277.db2.gz PMMYDYJQYAPELR-WBVHZDCISA-N 1 0 311.429 3.328 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CC3(OC)CCC3)C2)cc1 ZINC000850489913 632169010 /nfs/dbraw/zinc/16/90/10/632169010.db2.gz XXIAQRVYUOXIKQ-JKSUJKDBSA-N 1 0 318.461 3.211 20 10 DGCDRO CC[C@H]([NH2+][C@@H](COC)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000850491695 632169993 /nfs/dbraw/zinc/16/99/93/632169993.db2.gz ILJZLHPBVQDPLK-OALUTQOASA-N 1 0 320.477 3.235 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C1CCOCC1 ZINC000850493427 632170741 /nfs/dbraw/zinc/17/07/41/632170741.db2.gz HLZZILOLODHXAZ-GLQYFDAESA-N 1 0 323.408 3.111 20 10 DGCDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000850502880 632173367 /nfs/dbraw/zinc/17/33/67/632173367.db2.gz SMHMVDLRERVXST-CUSZFKRNSA-N 1 0 321.461 3.226 20 10 DGCDRO CC[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1O ZINC000850502420 632173447 /nfs/dbraw/zinc/17/34/47/632173447.db2.gz WCHIOVIJVMMJHY-HOTGVXAUSA-N 1 0 310.397 3.021 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3cc(F)ccc3C2)c1 ZINC000850537028 632185684 /nfs/dbraw/zinc/18/56/84/632185684.db2.gz MJEXWIGFJRVUNI-DOMZBBRYSA-N 1 0 301.361 3.494 20 10 DGCDRO C[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1ccc(F)cc1[O-] ZINC000850537478 632186065 /nfs/dbraw/zinc/18/60/65/632186065.db2.gz QSWGTAZXLZJTME-IINYFYTJSA-N 1 0 305.324 3.325 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cc(F)ccc1O ZINC000850541090 632186982 /nfs/dbraw/zinc/18/69/82/632186982.db2.gz ROOICCDSPAQWOX-QEORTHHSSA-N 1 0 317.408 3.327 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000850541152 632187375 /nfs/dbraw/zinc/18/73/75/632187375.db2.gz SMIQWOOIPHODIF-LESCRADOSA-N 1 0 313.445 3.496 20 10 DGCDRO CC[C@H]([NH2+]CCc1cncc(C)n1)c1cc(Cl)ccc1O ZINC000850549604 632188967 /nfs/dbraw/zinc/18/89/67/632188967.db2.gz HNYWEWQTIJQFEE-HNNXBMFYSA-N 1 0 305.809 3.427 20 10 DGCDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000850550115 632190080 /nfs/dbraw/zinc/19/00/80/632190080.db2.gz LGAFYYOXKBQMSO-HNNXBMFYSA-N 1 0 319.449 3.026 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c(O)c1 ZINC000850561035 632194447 /nfs/dbraw/zinc/19/44/47/632194447.db2.gz HMUCOPNKYJXVOA-KXBFYZLASA-N 1 0 321.461 3.227 20 10 DGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567967 632196436 /nfs/dbraw/zinc/19/64/36/632196436.db2.gz MXIUSVJEZKAUJF-OALUTQOASA-N 1 0 302.462 3.172 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccoc1 ZINC000850566397 632196652 /nfs/dbraw/zinc/19/66/52/632196652.db2.gz NEAOOJWCPKNDDC-AWEZNQCLSA-N 1 0 300.402 3.092 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c1 ZINC000850574403 632199096 /nfs/dbraw/zinc/19/90/96/632199096.db2.gz YAAXAYZKLKWNNW-CQSZACIVSA-N 1 0 304.434 3.177 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000850583521 632202084 /nfs/dbraw/zinc/20/20/84/632202084.db2.gz OLSNBFBEGRYOCI-RFAUZJTJSA-N 1 0 311.303 3.194 20 10 DGCDRO CCC[N@H+](CCc1nc(C(C)=O)c(C)[nH]1)Cc1ccccc1O ZINC000851791919 632495099 /nfs/dbraw/zinc/49/50/99/632495099.db2.gz IWBUHTXRNIDZKR-UHFFFAOYSA-N 1 0 315.417 3.081 20 10 DGCDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852355822 632594220 /nfs/dbraw/zinc/59/42/20/632594220.db2.gz JWUZHVWYWUVXIZ-OAHLLOKOSA-N 1 0 319.493 3.125 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)ccc1N1CCCCC1 ZINC000852536476 632619510 /nfs/dbraw/zinc/61/95/10/632619510.db2.gz VAQPZZFUQVHIAS-ICSRJNTNSA-N 1 0 314.473 3.454 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(F)ccc1O ZINC000184896975 660194331 /nfs/dbraw/zinc/19/43/31/660194331.db2.gz HHXLFUWSPNBTMZ-NSHDSACASA-N 1 0 303.333 3.153 20 10 DGCDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185186718 660206803 /nfs/dbraw/zinc/20/68/03/660206803.db2.gz SJBBCTSBIVYWIQ-GFCCVEGCSA-N 1 0 319.376 3.442 20 10 DGCDRO C[C@@H]([NH2+]CCCCNc1ccccn1)c1cc(F)ccc1O ZINC000185325989 660216037 /nfs/dbraw/zinc/21/60/37/660216037.db2.gz SPNUXJLRXUXGCH-CYBMUJFWSA-N 1 0 303.381 3.469 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](c1ccccc1)N(C)C ZINC000185678858 660236474 /nfs/dbraw/zinc/23/64/74/660236474.db2.gz VOVAQOYIVXMHTK-MGPUTAFESA-N 1 0 310.441 3.403 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c1 ZINC000186094633 660266366 /nfs/dbraw/zinc/26/63/66/660266366.db2.gz ZMQJCNWMFPZOPS-LRTDBIEQSA-N 1 0 303.427 3.289 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000093614951 660537084 /nfs/dbraw/zinc/53/70/84/660537084.db2.gz QVTYQFQNWDBXFM-MJGOQNOKSA-N 1 0 301.478 3.201 20 10 DGCDRO C/C=C(\C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001034899724 660803281 /nfs/dbraw/zinc/80/32/81/660803281.db2.gz SEESYWZKVSGWDA-DRESWSQNSA-N 1 0 316.445 3.050 20 10 DGCDRO CCC[C@]1([NH2+]Cc2c(O)cccc2Br)CCOC1 ZINC000706835357 660874323 /nfs/dbraw/zinc/87/43/23/660874323.db2.gz VVDQPIHGYHLQDE-AWEZNQCLSA-N 1 0 314.223 3.204 20 10 DGCDRO CCOCCCC[NH2+]Cc1c(O)cccc1Br ZINC000706858402 660875083 /nfs/dbraw/zinc/87/50/83/660875083.db2.gz WITIEMNXIOXOSX-UHFFFAOYSA-N 1 0 302.212 3.061 20 10 DGCDRO CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001036321601 660895257 /nfs/dbraw/zinc/89/52/57/660895257.db2.gz CTRBYAHGYISEFU-NVXWUHKLSA-N 1 0 318.461 3.130 20 10 DGCDRO COCC(C)(C)[N@H+](C)Cc1c(O)cccc1Br ZINC000707165980 660892766 /nfs/dbraw/zinc/89/27/66/660892766.db2.gz MZPVAUQVWNZXAC-UHFFFAOYSA-N 1 0 302.212 3.012 20 10 DGCDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793073603 661003719 /nfs/dbraw/zinc/00/37/19/661003719.db2.gz LXMCFXPLMKUIBJ-ABAIWWIYSA-N 1 0 316.367 3.429 20 10 DGCDRO CC(C)N(C)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792951910 660996537 /nfs/dbraw/zinc/99/65/37/660996537.db2.gz LHPSVBCMHGJIOY-UHFFFAOYSA-N 1 0 317.399 3.201 20 10 DGCDRO CCC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792972780 660997646 /nfs/dbraw/zinc/99/76/46/660997646.db2.gz CQEPVDOTMKZBNU-CYBMUJFWSA-N 1 0 304.356 3.022 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000792980433 660998418 /nfs/dbraw/zinc/99/84/18/660998418.db2.gz RBUFSJQZPVDLPM-AWEZNQCLSA-N 1 0 312.816 3.102 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]CC2(F)CC2)C1 ZINC000792980436 660998547 /nfs/dbraw/zinc/99/85/47/660998547.db2.gz RBUFSJQZPVDLPM-CQSZACIVSA-N 1 0 312.816 3.102 20 10 DGCDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793091738 661004450 /nfs/dbraw/zinc/00/44/50/661004450.db2.gz DXLMMBMUHZVHEX-OAHLLOKOSA-N 1 0 316.367 3.118 20 10 DGCDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793073606 661003609 /nfs/dbraw/zinc/00/36/09/661003609.db2.gz LXMCFXPLMKUIBJ-XHDPSFHLSA-N 1 0 316.367 3.429 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCO)C2CCC2)c(C(F)(F)F)c1 ZINC000793168064 661009462 /nfs/dbraw/zinc/00/94/62/661009462.db2.gz HYWWCZNGRFWKLR-UHFFFAOYSA-N 1 0 316.367 3.118 20 10 DGCDRO COc1cc(Br)cc(C[NH+]2CC(C(C)C)C2)c1O ZINC000793188844 661011356 /nfs/dbraw/zinc/01/13/56/661011356.db2.gz JNJZIFUMAHDIRV-UHFFFAOYSA-N 1 0 314.223 3.251 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](CCO)Cc2ccc(C)o2)cc1 ZINC000793366353 661027404 /nfs/dbraw/zinc/02/74/04/661027404.db2.gz RVBGOUIZGGKICQ-UHFFFAOYSA-N 1 0 316.445 3.429 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)nc2)c(O)c1 ZINC000793388532 661029052 /nfs/dbraw/zinc/02/90/52/661029052.db2.gz PGJHPVCBRJVQJP-UHFFFAOYSA-N 1 0 321.380 3.148 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000793744003 661055277 /nfs/dbraw/zinc/05/52/77/661055277.db2.gz PDNPIWUBWYXWHQ-INIZCTEOSA-N 1 0 312.413 3.189 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C2CC2)O1 ZINC000794652137 661096085 /nfs/dbraw/zinc/09/60/85/661096085.db2.gz IEPWUUZXDXWZRQ-SJCJKPOMSA-N 1 0 319.445 3.395 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1O ZINC000794791930 661105197 /nfs/dbraw/zinc/10/51/97/661105197.db2.gz CQBMMUKKBFGFRA-WMZOPIPTSA-N 1 0 320.477 3.098 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O ZINC000794817806 661107063 /nfs/dbraw/zinc/10/70/63/661107063.db2.gz RATNKTMYFSUKPP-DZGCQCFKSA-N 1 0 304.434 3.141 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1C(C)C ZINC000795636677 661164734 /nfs/dbraw/zinc/16/47/34/661164734.db2.gz JNLUIXHAHIRMRE-IBGZPJMESA-N 1 0 319.445 3.205 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)cc1OC ZINC000160325612 655608295 /nfs/dbraw/zinc/60/82/95/655608295.db2.gz QKRDIAWZZUZURB-SJLPKXTDSA-N 1 0 323.433 3.045 20 10 DGCDRO CN(C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000083551417 655618352 /nfs/dbraw/zinc/61/83/52/655618352.db2.gz IYWACTWWRAOPIX-INIZCTEOSA-N 1 0 304.821 3.438 20 10 DGCDRO COc1cc(C[N@@H+]2CCC=C(c3ccncc3)C2)c(O)cc1C ZINC000795736023 661170360 /nfs/dbraw/zinc/17/03/60/661170360.db2.gz BISLOFBBMCRAAE-UHFFFAOYSA-N 1 0 310.397 3.394 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3ncccc3Cl)cc2)CC1 ZINC000795805432 661173776 /nfs/dbraw/zinc/17/37/76/661173776.db2.gz FWBCAEXDLKXHHY-UHFFFAOYSA-N 1 0 316.836 3.099 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CC(=O)NC)c1ccccc1)c1ccccc1O ZINC000795849703 661175728 /nfs/dbraw/zinc/17/57/28/661175728.db2.gz QCSJXJNRQWSBJS-SJORKVTESA-N 1 0 312.413 3.310 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCCc2ccc3c(c2)CCO3)cc1 ZINC000795892001 661177537 /nfs/dbraw/zinc/17/75/37/661177537.db2.gz IMWRIOKYIWFDFW-UHFFFAOYSA-N 1 0 310.441 3.410 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795932314 661180021 /nfs/dbraw/zinc/18/00/21/661180021.db2.gz CJWKZOYYDFNTDX-UHFFFAOYSA-N 1 0 318.461 3.084 20 10 DGCDRO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000309696837 655876207 /nfs/dbraw/zinc/87/62/07/655876207.db2.gz DSSPEYWAPNZCCC-CRAIPNDOSA-N 1 0 310.441 3.490 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000177137085 655914174 /nfs/dbraw/zinc/91/41/74/655914174.db2.gz QFKXLOACKANUFZ-UHFFFAOYSA-N 1 0 318.461 3.251 20 10 DGCDRO CC[C@H]([NH2+]CCn1cc(Br)cn1)c1ccccc1O ZINC000311826370 656016105 /nfs/dbraw/zinc/01/61/05/656016105.db2.gz RGAXIKVZWLSYIK-ZDUSSCGKSA-N 1 0 324.222 3.092 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000716239813 661220037 /nfs/dbraw/zinc/22/00/37/661220037.db2.gz UKBWLDPGKQTOIK-KRWDZBQOSA-N 1 0 316.832 3.410 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)cc1 ZINC000716293429 661221648 /nfs/dbraw/zinc/22/16/48/661221648.db2.gz SFAFMZBHDBUKDF-FQEVSTJZSA-N 1 0 309.457 3.117 20 10 DGCDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000309833380 656121676 /nfs/dbraw/zinc/12/16/76/656121676.db2.gz ZGELALSJBOGAGG-KCJUWKMLSA-N 1 0 302.237 3.138 20 10 DGCDRO C[C@H]([NH2+]CCCCNc1ccccn1)c1cc(F)ccc1O ZINC000185325973 656125557 /nfs/dbraw/zinc/12/55/57/656125557.db2.gz SPNUXJLRXUXGCH-ZDUSSCGKSA-N 1 0 303.381 3.469 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1O ZINC000188808369 656149069 /nfs/dbraw/zinc/14/90/69/656149069.db2.gz TWQYYHHGWRYAMF-DZGCQCFKSA-N 1 0 317.351 3.274 20 10 DGCDRO CC(C)(O)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000189944631 656158252 /nfs/dbraw/zinc/15/82/52/656158252.db2.gz QCSYGOIOCDYEDO-UHFFFAOYSA-N 1 0 302.462 3.412 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c1O ZINC000191779871 656172398 /nfs/dbraw/zinc/17/23/98/656172398.db2.gz ZXIXMHNCZZBPLL-UZLBHIALSA-N 1 0 313.441 3.420 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000125197603 656268731 /nfs/dbraw/zinc/26/87/31/656268731.db2.gz CDLUKXNBHXSLLW-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185511441 656432292 /nfs/dbraw/zinc/43/22/92/656432292.db2.gz XSAADLYQDJGYHD-BFQNTYOBSA-N 1 0 305.443 3.308 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C(C)C)cc1C ZINC001036950367 661265816 /nfs/dbraw/zinc/26/58/16/661265816.db2.gz UFVIHFCWWAGBRQ-DLBZAZTESA-N 1 0 318.461 3.034 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c1O ZINC000225931721 656797292 /nfs/dbraw/zinc/79/72/92/656797292.db2.gz PGVFWKAJBGPWAA-HNNXBMFYSA-N 1 0 320.433 3.094 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236732171 656957739 /nfs/dbraw/zinc/95/77/39/656957739.db2.gz PGCVHIGVSSPKSZ-OAHLLOKOSA-N 1 0 318.461 3.157 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C=C(C)C)cc1C ZINC001044909258 656981011 /nfs/dbraw/zinc/98/10/11/656981011.db2.gz YTSMJZRKTNOUDH-KRWDZBQOSA-N 1 0 316.445 3.050 20 10 DGCDRO C/C=C(/C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001044986756 656988341 /nfs/dbraw/zinc/98/83/41/656988341.db2.gz SEESYWZKVSGWDA-UOJXKXAVSA-N 1 0 316.445 3.050 20 10 DGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000237066163 657078539 /nfs/dbraw/zinc/07/85/39/657078539.db2.gz SXMJOIVLNXGWKP-KRWDZBQOSA-N 1 0 316.420 3.239 20 10 DGCDRO COc1cc(C[N@@H+]2CCCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000178891857 657097509 /nfs/dbraw/zinc/09/75/09/657097509.db2.gz KIZWFWZPDKKLHF-ZDUSSCGKSA-N 1 0 307.434 3.309 20 10 DGCDRO Brc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000178901706 657132334 /nfs/dbraw/zinc/13/23/34/657132334.db2.gz MGIFGUVNIHDQMF-UHFFFAOYSA-N 1 0 308.175 3.267 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1C ZINC001000759849 657150002 /nfs/dbraw/zinc/15/00/02/657150002.db2.gz BGQBYMIVUQWMNA-MRXNPFEDSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccccc2OC(C)C)c1O ZINC000237224720 657386442 /nfs/dbraw/zinc/38/64/42/657386442.db2.gz XIEMMYGVLYXLNV-UHFFFAOYSA-N 1 0 301.386 3.478 20 10 DGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000237233230 657393583 /nfs/dbraw/zinc/39/35/83/657393583.db2.gz SVQXTIAWTYLWLD-AWEZNQCLSA-N 1 0 315.413 3.439 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000303268030 657526111 /nfs/dbraw/zinc/52/61/11/657526111.db2.gz FVYOKSWSBHEVBD-WMLDXEAASA-N 1 0 314.404 3.456 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)Cn2ccnc2)cc1 ZINC000067500720 657586494 /nfs/dbraw/zinc/58/64/94/657586494.db2.gz BOPMCXGCIFKKLT-INIZCTEOSA-N 1 0 300.450 3.155 20 10 DGCDRO Cc1cc(C(=O)N(C)[C@@H](C)C[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000237462817 657599841 /nfs/dbraw/zinc/59/98/41/657599841.db2.gz LQOHLRLRSDHTPC-LBPRGKRZSA-N 1 0 319.836 3.167 20 10 DGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305138072 657721458 /nfs/dbraw/zinc/72/14/58/657721458.db2.gz PECSVNLIMCZPNM-BEFAXECRSA-N 1 0 320.477 3.051 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(C)C)[C@H]2C)cc1C ZINC000985899169 657913706 /nfs/dbraw/zinc/91/37/06/657913706.db2.gz NONINSWWQGXWJZ-RDJZCZTQSA-N 1 0 318.461 3.129 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCOc2ccccc2)c1O ZINC000228669520 658000308 /nfs/dbraw/zinc/00/03/08/658000308.db2.gz DZNVRIFVINSMBJ-UHFFFAOYSA-N 1 0 307.777 3.223 20 10 DGCDRO CC(C)(C)c1cc(C[NH2+]CCOCCO)c(O)c(C(C)(C)C)c1 ZINC000067697550 658391210 /nfs/dbraw/zinc/39/12/10/658391210.db2.gz NBNOZOZACMIFTM-UHFFFAOYSA-N 1 0 323.477 3.086 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CCOc2ccccc21 ZINC000322470724 658523395 /nfs/dbraw/zinc/52/33/95/658523395.db2.gz KVPLEDKWFMMJMX-QGZVFWFLSA-N 1 0 308.425 3.464 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000119298173 658704924 /nfs/dbraw/zinc/70/49/24/658704924.db2.gz JXSCJYFSYGKTBA-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1cc(C[N@H+](C)CCn2cccn2)c(O)c(C(C)(C)C)c1 ZINC000164319568 658928647 /nfs/dbraw/zinc/92/86/47/658928647.db2.gz IZOCODTZGMZSFU-UHFFFAOYSA-N 1 0 317.433 3.027 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](Cc1cccc(F)c1)C1CC1)OCO2 ZINC000058529750 659086692 /nfs/dbraw/zinc/08/66/92/659086692.db2.gz NEQGSSYKDJWTDE-UHFFFAOYSA-N 1 0 315.344 3.425 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000226648198 659133667 /nfs/dbraw/zinc/13/36/67/659133667.db2.gz FGSDULBAYMOMLP-HNNXBMFYSA-N 1 0 320.433 3.190 20 10 DGCDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000227372722 659153696 /nfs/dbraw/zinc/15/36/96/659153696.db2.gz YESPOLBWHPUTNK-LBPRGKRZSA-N 1 0 316.239 3.041 20 10 DGCDRO CCC[N@H+](Cc1cnc2c(c1)c(C)nn2C)Cc1ccccc1O ZINC000170779377 659236397 /nfs/dbraw/zinc/23/63/97/659236397.db2.gz WFHCGCPTUWTXEW-UHFFFAOYSA-N 1 0 324.428 3.395 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]CCCn1ccc3ccccc31)OCO2 ZINC000063255939 659374635 /nfs/dbraw/zinc/37/46/35/659374635.db2.gz FXCPCWFTTLYRNJ-UHFFFAOYSA-N 1 0 324.380 3.256 20 10 DGCDRO CCC[N@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1ccccc1O ZINC000075829194 659928444 /nfs/dbraw/zinc/92/84/44/659928444.db2.gz BSZIVUABQAQARJ-HOTGVXAUSA-N 1 0 318.461 3.109 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000179473011 659930048 /nfs/dbraw/zinc/93/00/48/659930048.db2.gz ORTCBLABWQXAEE-OAHLLOKOSA-N 1 0 320.433 3.142 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000179473026 659930076 /nfs/dbraw/zinc/93/00/76/659930076.db2.gz ORTCBLABWQXAEE-HNNXBMFYSA-N 1 0 320.433 3.142 20 10 DGCDRO Cc1cc(C(=O)NC[C@H](C)C[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000237573685 659930128 /nfs/dbraw/zinc/93/01/28/659930128.db2.gz BTZRDBAFNYMUID-LLVKDONJSA-N 1 0 319.836 3.072 20 10 DGCDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(OC)ccc1O ZINC000179698256 659937884 /nfs/dbraw/zinc/93/78/84/659937884.db2.gz DKLCJZAIMBHHDJ-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO Cn1cc(C[N@H+](C)Cc2ccccc2O)c(-c2ccccc2)n1 ZINC000179770670 659941166 /nfs/dbraw/zinc/94/11/66/659941166.db2.gz NZGIFIGKJCXWOR-UHFFFAOYSA-N 1 0 307.397 3.425 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000068478499 659954052 /nfs/dbraw/zinc/95/40/52/659954052.db2.gz WGZIJLWYNMSKCR-OAHLLOKOSA-N 1 0 300.402 3.275 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000180170513 659954183 /nfs/dbraw/zinc/95/41/83/659954183.db2.gz RJEJZWCDUFZETD-HNNXBMFYSA-N 1 0 318.461 3.075 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC(C)=O)cc2)c1 ZINC000182471708 660055700 /nfs/dbraw/zinc/05/57/00/660055700.db2.gz FLLQCEQVDLKRGZ-LBPRGKRZSA-N 1 0 315.369 3.177 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1O ZINC000183461644 660115387 /nfs/dbraw/zinc/11/53/87/660115387.db2.gz KVZVXNUENODSSQ-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000183633785 660128009 /nfs/dbraw/zinc/12/80/09/660128009.db2.gz JJXAZJNFMUQFJJ-WFASDCNBSA-N 1 0 320.433 3.346 20 10 DGCDRO COCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])CC(C)C ZINC000042370417 661840173 /nfs/dbraw/zinc/84/01/73/661840173.db2.gz MHZPEAJUCHJWCJ-UHFFFAOYSA-N 1 0 313.825 3.353 20 10 DGCDRO COc1cc(C[NH+]2CCN(c3ccccc3)CC2)c(O)cc1C ZINC000159461836 661888764 /nfs/dbraw/zinc/88/87/64/661888764.db2.gz MONCOBFECDLXAP-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188807602 661945973 /nfs/dbraw/zinc/94/59/73/661945973.db2.gz YNZCGZBFNFYOAI-SMDDNHRTSA-N 1 0 321.314 3.105 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccc(F)nc1)C[C@H]1CCCO1 ZINC000189281895 661972151 /nfs/dbraw/zinc/97/21/51/661972151.db2.gz KMYWEUQYQQVKKB-MRXNPFEDSA-N 1 0 316.376 3.108 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000189345329 661975398 /nfs/dbraw/zinc/97/53/98/661975398.db2.gz GDVBABHRNALWOX-INIZCTEOSA-N 1 0 321.424 3.450 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(Br)o2)c(O)c1 ZINC000189505884 661980741 /nfs/dbraw/zinc/98/07/41/661980741.db2.gz JAEHFFUGBQSENI-UHFFFAOYSA-N 1 0 312.163 3.046 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1F ZINC000189979148 662000050 /nfs/dbraw/zinc/00/00/50/662000050.db2.gz PANXXCKLAATLER-NVXWUHKLSA-N 1 0 308.441 3.313 20 10 DGCDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccccc1O ZINC000077284323 662019932 /nfs/dbraw/zinc/01/99/32/662019932.db2.gz HAALCIBMJYEFNO-UHFFFAOYSA-N 1 0 309.369 3.117 20 10 DGCDRO COC[C@@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C[C@@H](C)O1 ZINC000190218127 662023388 /nfs/dbraw/zinc/02/33/88/662023388.db2.gz WSQFWLLCDDRWNI-ZBFHGGJFSA-N 1 0 321.461 3.234 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc2ccccc2c1O ZINC000192700570 662108590 /nfs/dbraw/zinc/10/85/90/662108590.db2.gz LMQOOHQFTVFWCT-CYBMUJFWSA-N 1 0 320.392 3.495 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)c(O)c1 ZINC000192902459 662115192 /nfs/dbraw/zinc/11/51/92/662115192.db2.gz VCDFDXVICOPTTA-CQSZACIVSA-N 1 0 313.397 3.365 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000037648205 662203672 /nfs/dbraw/zinc/20/36/72/662203672.db2.gz NCHPPDPEBUABAB-JTQLQIEISA-N 1 0 322.758 3.019 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000090221162 662257579 /nfs/dbraw/zinc/25/75/79/662257579.db2.gz GWJRRLXDDPKBFR-FPTDNZKUSA-N 1 0 316.470 3.341 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000246502214 662262451 /nfs/dbraw/zinc/26/24/51/662262451.db2.gz SPZFODGSSWFYRY-HOCLYGCPSA-N 1 0 317.477 3.193 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H](O)Cc1ccccc1 ZINC000090655179 662270488 /nfs/dbraw/zinc/27/04/88/662270488.db2.gz PZMFVWRQQKRFOC-RZQQEMMASA-N 1 0 312.457 3.395 20 10 DGCDRO CC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000091919399 662324779 /nfs/dbraw/zinc/32/47/79/662324779.db2.gz FHCPYMMJZCKLPY-HNNXBMFYSA-N 1 0 306.425 3.284 20 10 DGCDRO CCOc1cccc(CN2CCC[C@H]2C[NH+]2CCCCC2)c1O ZINC000092218876 662328671 /nfs/dbraw/zinc/32/86/71/662328671.db2.gz MZBCIEZUMZNVNV-KRWDZBQOSA-N 1 0 318.461 3.241 20 10 DGCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC000092379960 662330026 /nfs/dbraw/zinc/33/00/26/662330026.db2.gz HBRBWEHVTXKDTG-UHFFFAOYSA-N 1 0 304.434 3.062 20 10 DGCDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092400962 662330353 /nfs/dbraw/zinc/33/03/53/662330353.db2.gz POQYSDVGYWMLRT-HOTGVXAUSA-N 1 0 318.461 3.217 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOCC12CCC2 ZINC000093509882 662355774 /nfs/dbraw/zinc/35/57/74/662355774.db2.gz YFPYVCWVMFRGKF-UHFFFAOYSA-N 1 0 300.446 3.432 20 10 DGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000093760552 662359611 /nfs/dbraw/zinc/35/96/11/662359611.db2.gz DLMRGRFAAGSUJL-LBPRGKRZSA-N 1 0 316.264 3.482 20 10 DGCDRO Oc1ccccc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000378907234 685145965 /nfs/dbraw/zinc/14/59/65/685145965.db2.gz GAZNAHDHQBZJNL-UHFFFAOYSA-N 1 0 310.441 3.189 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CC)[C@@H](C)O)c1cc(Br)ccc1O ZINC000386737621 685179967 /nfs/dbraw/zinc/17/99/67/685179967.db2.gz XGZHESWKNOOCHL-ICCXJUOJSA-N 1 0 316.239 3.355 20 10 DGCDRO CO[C@@H]([C@H](C)[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000388233761 685188251 /nfs/dbraw/zinc/18/82/51/685188251.db2.gz NMQCMXJIQZAHKB-XPTSAGLGSA-N 1 0 314.223 3.058 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000390386325 685201166 /nfs/dbraw/zinc/20/11/66/685201166.db2.gz DEKKGHCMTLEFKV-UHFFFAOYSA-N 1 0 307.397 3.235 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000390409093 685201456 /nfs/dbraw/zinc/20/14/56/685201456.db2.gz DWBWNGGWGJGWSN-GOSISDBHSA-N 1 0 319.408 3.414 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCc2scnc2C)c1O ZINC000391138904 685208718 /nfs/dbraw/zinc/20/87/18/685208718.db2.gz QMSAXTPKVOHIRT-UHFFFAOYSA-N 1 0 312.822 3.151 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000395688433 685226312 /nfs/dbraw/zinc/22/63/12/685226312.db2.gz SAIWHLDQJMNDLT-QGZVFWFLSA-N 1 0 319.493 3.125 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](CC(C)C)[NH2+]C)cc1 ZINC001577697481 1191912831 /nfs/dbraw/zinc/91/28/31/1191912831.db2.gz KPYOYLQFBBONFF-SFHVURJKSA-N 1 0 319.493 3.125 20 10 DGCDRO [O-]c1c(Cl)cccc1C[NH2+]C1(Cc2cn[nH]n2)CCCCC1 ZINC001578050837 1191921130 /nfs/dbraw/zinc/92/11/30/1191921130.db2.gz GIKSYZYDBZFCHF-UHFFFAOYSA-N 1 0 320.824 3.199 20 10 DGCDRO Cc1cc(CNC(=O)C(C)(C)C[NH3+])c(C)n1-c1cccc(C)c1 ZINC001579747179 1191990975 /nfs/dbraw/zinc/99/09/75/1191990975.db2.gz IYTKDCTTWIXCGM-UHFFFAOYSA-N 1 0 313.445 3.004 20 10 DGCDRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1c(O)ccc2ccccc21 ZINC001579793673 1191994069 /nfs/dbraw/zinc/99/40/69/1191994069.db2.gz LAORLHPJPQLPOP-LJQANCHMSA-N 1 0 320.392 3.170 20 10 DGCDRO [NH3+][C@H]1CC=C(C(=O)N2CCCSc3ccc(Cl)cc32)C1 ZINC001580171863 1192011751 /nfs/dbraw/zinc/01/17/51/1192011751.db2.gz ZRLXTNUMYMRMRW-LBPRGKRZSA-N 1 0 308.834 3.216 20 10 DGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001620805224 1192085850 /nfs/dbraw/zinc/08/58/50/1192085850.db2.gz NDPQQEVATVUWCF-HUUCEWRRSA-N 1 0 301.434 3.464 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CCO)c2ccccc2)cc1F ZINC001620805284 1192085965 /nfs/dbraw/zinc/08/59/65/1192085965.db2.gz OMRAYSLUHRYJIJ-KRWDZBQOSA-N 1 0 316.420 3.148 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC001583188350 1192137436 /nfs/dbraw/zinc/13/74/36/1192137436.db2.gz YUZGPRFDAPXUQH-UHFFFAOYSA-N 1 0 313.445 3.164 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C)C2CCOCC2)ccc1OC ZINC001620855861 1192463614 /nfs/dbraw/zinc/46/36/14/1192463614.db2.gz QHMIGGBGYBEKJB-CQSZACIVSA-N 1 0 307.434 3.136 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001620910675 1192584384 /nfs/dbraw/zinc/58/43/84/1192584384.db2.gz BHPCHRUDFWQNJI-CYBMUJFWSA-N 1 0 320.433 3.014 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(C)=O)cc1C ZINC001691983274 1176122170 /nfs/dbraw/zinc/12/21/70/1176122170.db2.gz XADUODWETDRLTP-KDOFPFPSSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(C)=O)cc1C ZINC001691983275 1176122485 /nfs/dbraw/zinc/12/24/85/1176122485.db2.gz XADUODWETDRLTP-KSSFIOAISA-N 1 0 318.461 3.130 20 10 DGCDRO Cc1cccc2nc(CC[NH2+]Cc3c(O)cccc3Cl)cn21 ZINC001620996837 1192778303 /nfs/dbraw/zinc/77/83/03/1192778303.db2.gz LWTMPTMDQVWNJC-UHFFFAOYSA-N 1 0 315.804 3.334 20 10 DGCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)C(C)C)CC2)cc1C ZINC001670868632 1177381729 /nfs/dbraw/zinc/38/17/29/1177381729.db2.gz SQYFHIJWXYPUJF-HNNXBMFYSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001330894697 1178087304 /nfs/dbraw/zinc/08/73/04/1178087304.db2.gz NMPWIFPNWZLOSF-QRTARXTBSA-N 1 0 318.461 3.034 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001331056757 1178125222 /nfs/dbraw/zinc/12/52/22/1178125222.db2.gz ADQPAAQMBWRKAZ-IEBWSBKVSA-N 1 0 314.404 3.375 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CCOCC1CCC1 ZINC001331277899 1178172124 /nfs/dbraw/zinc/17/21/24/1178172124.db2.gz UWOOPCHAEBQJGO-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c(C)c1 ZINC001331533555 1178236958 /nfs/dbraw/zinc/23/69/58/1178236958.db2.gz NTKPNXSWFAFAHR-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC001331961679 1178320675 /nfs/dbraw/zinc/32/06/75/1178320675.db2.gz ZFEUFWIYBXBCFQ-HKUYNNGSSA-N 1 0 300.446 3.288 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cc(N(C)C)ccn1 ZINC001331995173 1178332615 /nfs/dbraw/zinc/33/26/15/1178332615.db2.gz BNRCRKQYIVRKHD-XJKSGUPXSA-N 1 0 311.429 3.500 20 10 DGCDRO COC(=O)C[N@@H+](Cc1cc(C(C)C)c(C)cc1O)CC(C)C ZINC001332223239 1178398693 /nfs/dbraw/zinc/39/86/93/1178398693.db2.gz JPGGJKARUDCRRM-UHFFFAOYSA-N 1 0 307.434 3.455 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]CCCO[C@H]1CCCCO1 ZINC001332336888 1178421815 /nfs/dbraw/zinc/42/18/15/1178421815.db2.gz ZWMIUNGUFAKDBU-IBGZPJMESA-N 1 0 318.461 3.310 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccn3C3CC3)C2)cc1 ZINC001333562460 1178627703 /nfs/dbraw/zinc/62/77/03/1178627703.db2.gz MACPRFSVESUOBF-HNNXBMFYSA-N 1 0 311.429 3.200 20 10 DGCDRO CC1([NH+]2CCC2)CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001333680450 1178651603 /nfs/dbraw/zinc/65/16/03/1178651603.db2.gz VEBLRAYVLXKKMZ-UHFFFAOYSA-N 1 0 313.489 3.347 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(CC(C)C)nc2)c1 ZINC001333685342 1178653424 /nfs/dbraw/zinc/65/34/24/1178653424.db2.gz PSANSAOGKPLXLB-UHFFFAOYSA-N 1 0 300.402 3.284 20 10 DGCDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC001333763493 1178669300 /nfs/dbraw/zinc/66/93/00/1178669300.db2.gz FBKZFZBLVWXWTR-OAHLLOKOSA-N 1 0 316.401 3.388 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1nc(C)cs1 ZINC001334169429 1178730893 /nfs/dbraw/zinc/73/08/93/1178730893.db2.gz BTRBBYTUMIMPIJ-LBPRGKRZSA-N 1 0 322.430 3.415 20 10 DGCDRO CC[NH+]1CCN(c2cccc(NCc3ccc(N)cc3)c2)CC1 ZINC001334754283 1178791765 /nfs/dbraw/zinc/79/17/65/1178791765.db2.gz OEBZIEJZOPUEFY-UHFFFAOYSA-N 1 0 310.445 3.023 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccccc1O ZINC001335247579 1178877530 /nfs/dbraw/zinc/87/75/30/1178877530.db2.gz YVGQVWQLOLWETA-GFCCVEGCSA-N 1 0 313.323 3.385 20 10 DGCDRO COc1cccc(F)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC001335501124 1178922137 /nfs/dbraw/zinc/92/21/37/1178922137.db2.gz XOKXAYWERFQZQK-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)[C@H](O)C(F)(F)F ZINC001335523348 1178926423 /nfs/dbraw/zinc/92/64/23/1178926423.db2.gz VPJWBUUIGDQMFX-RBQUTUCGSA-N 1 0 303.324 3.150 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCOCC12CCCC2 ZINC001341568680 1179030933 /nfs/dbraw/zinc/03/09/33/1179030933.db2.gz AUGMLXMQMPBMEZ-UHFFFAOYSA-N 1 0 300.446 3.432 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCOC1CCOCC1 ZINC001342407973 1179138880 /nfs/dbraw/zinc/13/88/80/1179138880.db2.gz KVBGZHYUFAHFFO-ZBFHGGJFSA-N 1 0 319.445 3.424 20 10 DGCDRO c1ccn(-c2ccc(-c3nc([C@@H]4C[NH+]5CCC4CC5)no3)cc2)c1 ZINC001342544107 1179151044 /nfs/dbraw/zinc/15/10/44/1179151044.db2.gz FHTLGBRQSCCTJD-QGZVFWFLSA-N 1 0 320.396 3.337 20 10 DGCDRO COc1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)c(O)c1OC ZINC001343223006 1179245905 /nfs/dbraw/zinc/24/59/05/1179245905.db2.gz IEFUESFKMWQDFG-UHFFFAOYSA-N 1 0 321.339 3.478 20 10 DGCDRO c1[nH]nc2cc(CC[NH2+]Cc3ccc(N4CCCC4)cc3)ccc12 ZINC001345277690 1179551260 /nfs/dbraw/zinc/55/12/60/1179551260.db2.gz YCAMWABZDUMAKC-UHFFFAOYSA-N 1 0 320.440 3.495 20 10 DGCDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccncc1)c1ccccc1O ZINC001621052979 1192970553 /nfs/dbraw/zinc/97/05/53/1192970553.db2.gz WZQZTVSNTIIWLE-ZDUSSCGKSA-N 1 0 308.385 3.039 20 10 DGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(O)cccc1Br ZINC001351329756 1180199880 /nfs/dbraw/zinc/19/98/80/1180199880.db2.gz HYIVTWYRPYSCET-QMTHXVAHSA-N 1 0 314.223 3.059 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CC(CC3CCOCC3)C2)cc1F ZINC001353605023 1180604794 /nfs/dbraw/zinc/60/47/94/1180604794.db2.gz HOUKFNBLXVTVJS-UHFFFAOYSA-N 1 0 306.425 3.140 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccccc1O ZINC001460635032 1182701667 /nfs/dbraw/zinc/70/16/67/1182701667.db2.gz FSVKIELDJDSVAA-LLVKDONJSA-N 1 0 304.777 3.335 20 10 DGCDRO Cc1cc(C[NH+]2CCC(C(=O)OC(C)C)CC2)ccc1N(C)C ZINC001460804344 1182724097 /nfs/dbraw/zinc/72/40/97/1182724097.db2.gz OTNBQXPUTJGBDT-UHFFFAOYSA-N 1 0 318.461 3.225 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC001605875566 1193181361 /nfs/dbraw/zinc/18/13/61/1193181361.db2.gz JIWKHEPMXGGZRI-ZDUSSCGKSA-N 1 0 323.400 3.074 20 10 DGCDRO Fc1cccc(-n2cccn2)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001461509976 1182822187 /nfs/dbraw/zinc/82/21/87/1182822187.db2.gz KJVTYUPZHKOBIZ-UHFFFAOYSA-N 1 0 323.371 3.236 20 10 DGCDRO C[C@H]1SCC[N@H+](Cc2ccc(Br)cc2O)[C@@H]1C ZINC001461965093 1182887451 /nfs/dbraw/zinc/88/74/51/1182887451.db2.gz ZBEJUZBBDFDRIP-NXEZZACHSA-N 1 0 316.264 3.481 20 10 DGCDRO COC1CCC(CN(C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001462050623 1182901209 /nfs/dbraw/zinc/90/12/09/1182901209.db2.gz HLUAZDIFQAPFOQ-UHFFFAOYSA-N 1 0 320.477 3.268 20 10 DGCDRO CN(C)c1ccc(/C=C\CN(C)CC[NH+]2CCCCC2)cc1 ZINC001462396147 1182947095 /nfs/dbraw/zinc/94/70/95/1182947095.db2.gz YZWCGGURYXLJJH-FPLPWBNLSA-N 1 0 301.478 3.184 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001462457804 1182954850 /nfs/dbraw/zinc/95/48/50/1182954850.db2.gz ANQIBEGOQSTSRJ-PKOBYXMFSA-N 1 0 317.429 3.223 20 10 DGCDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(Cl)cc1O)C2 ZINC001462515270 1182962391 /nfs/dbraw/zinc/96/23/91/1182962391.db2.gz ATYDVFZHFXATTJ-AWEZNQCLSA-N 1 0 319.788 3.148 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2noc3ccc(F)cc23)c(O)c1 ZINC001462519219 1182963957 /nfs/dbraw/zinc/96/39/57/1182963957.db2.gz XMJSGGIKPSCSII-UHFFFAOYSA-N 1 0 316.332 3.279 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(CCCOC(C)(C)C)CC2)c(O)c1 ZINC001462540079 1182965461 /nfs/dbraw/zinc/96/54/61/1182965461.db2.gz YAUFTUDMAFKDKR-UHFFFAOYSA-N 1 0 320.477 3.023 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(C3(O)CCC3)CCC2)cc1 ZINC001462581506 1182971782 /nfs/dbraw/zinc/97/17/82/1182971782.db2.gz PGIUHQKBINKMJY-ZZXKWVIFSA-N 1 0 314.473 3.441 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]CC2(OCCO)CCCCC2)c1 ZINC001462634851 1182978045 /nfs/dbraw/zinc/97/80/45/1182978045.db2.gz MUMPDPMRXBMQCH-UHFFFAOYSA-N 1 0 321.461 3.317 20 10 DGCDRO CN(C)c1ccc(CNc2cc[nH+]cc2C(F)(F)F)cc1F ZINC001472673902 1183665108 /nfs/dbraw/zinc/66/51/08/1183665108.db2.gz JTRHBPROXPRPPE-UHFFFAOYSA-N 1 0 313.298 3.340 20 10 DGCDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001473572451 1183774848 /nfs/dbraw/zinc/77/48/48/1183774848.db2.gz TXPCJJGGAHTCSG-INMHGKMJSA-N 1 0 317.429 3.194 20 10 DGCDRO CCn1cc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)nn1 ZINC001474227959 1183885347 /nfs/dbraw/zinc/88/53/47/1183885347.db2.gz XLWMFEWFFAAPIV-UHFFFAOYSA-N 1 0 323.444 3.038 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](O)c1ccccc1 ZINC001474257311 1183890496 /nfs/dbraw/zinc/89/04/96/1183890496.db2.gz FRQPVPNYPGHUSW-PKOBYXMFSA-N 1 0 316.420 3.494 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)CCOCc2ccccc2)c(O)c1 ZINC001474352958 1183909249 /nfs/dbraw/zinc/90/92/49/1183909249.db2.gz CRTUHCPAEDFVCQ-UHFFFAOYSA-N 1 0 315.413 3.358 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001474435229 1183922328 /nfs/dbraw/zinc/92/23/28/1183922328.db2.gz BPTWHYDWBVUBFO-OLZOCXBDSA-N 1 0 324.415 3.413 20 10 DGCDRO COc1cc(C)c(C[NH2+]CCc2ccc(F)c(F)c2)c(O)c1 ZINC001474446704 1183923250 /nfs/dbraw/zinc/92/32/50/1183923250.db2.gz QKQMIGPSUREDIP-UHFFFAOYSA-N 1 0 307.340 3.320 20 10 DGCDRO CCC1CCC([N@H+](CCO)Cc2cc(C)cc(OC)c2O)CC1 ZINC001474494024 1183930226 /nfs/dbraw/zinc/93/02/26/1183930226.db2.gz HWIHPDHQWSQIHF-UHFFFAOYSA-N 1 0 321.461 3.472 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c(O)c1 ZINC001474497815 1183931703 /nfs/dbraw/zinc/93/17/03/1183931703.db2.gz WMXFRKNGLHMGOS-JXFKEZNVSA-N 1 0 313.441 3.420 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1 ZINC001474546793 1183938536 /nfs/dbraw/zinc/93/85/36/1183938536.db2.gz PMYDQSRKGWWXDB-QGZVFWFLSA-N 1 0 312.413 3.222 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC[C@H]2CC2(Cl)Cl)c(O)c1 ZINC001474640904 1183954675 /nfs/dbraw/zinc/95/46/75/1183954675.db2.gz GRERQAHOCKUBOF-JTQLQIEISA-N 1 0 304.217 3.383 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]CC(=O)N2CCc3ccccc32)c1 ZINC001474690616 1183962728 /nfs/dbraw/zinc/96/27/28/1183962728.db2.gz YKXXOGUALLAFED-UHFFFAOYSA-N 1 0 324.424 3.195 20 10 DGCDRO CC[C@H](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480201317 1184458719 /nfs/dbraw/zinc/45/87/19/1184458719.db2.gz JSTGPLVIRIPAHZ-RRQGHBQHSA-N 1 0 318.461 3.177 20 10 DGCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCCCCCCC2)cc1 ZINC001559841869 1189248592 /nfs/dbraw/zinc/24/85/92/1189248592.db2.gz WUGMLYYLWJNYST-UHFFFAOYSA-N 1 0 317.477 3.025 20 10 DGCDRO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC001560271561 1189303537 /nfs/dbraw/zinc/30/35/37/1189303537.db2.gz PKEYFUQBOMKIAV-PKOBYXMFSA-N 1 0 319.468 3.388 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC3(C2)OCCO3)cc1F ZINC001560418538 1189325792 /nfs/dbraw/zinc/32/57/92/1189325792.db2.gz PJIILPBSWNSBKQ-HNNXBMFYSA-N 1 0 322.424 3.057 20 10 DGCDRO CC1(C)C(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC001560449495 1189329592 /nfs/dbraw/zinc/32/95/92/1189329592.db2.gz SYNZHINVNGUIQA-UHFFFAOYSA-N 1 0 316.489 3.420 20 10 DGCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001560598244 1189346160 /nfs/dbraw/zinc/34/61/60/1189346160.db2.gz SEBPUJZLJVXDIG-UZLBHIALSA-N 1 0 322.452 3.374 20 10 DGCDRO CC(C)C[C@@H](CN(C)C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001560612051 1189348251 /nfs/dbraw/zinc/34/82/51/1189348251.db2.gz VHCWHTIPSXRPRD-ZEVQVBBLSA-N 1 0 303.494 3.332 20 10 DGCDRO CC[C@](C)(C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001560648745 1189356186 /nfs/dbraw/zinc/35/61/86/1189356186.db2.gz VGHAJLQCBJRSMB-GOSISDBHSA-N 1 0 306.450 3.022 20 10 DGCDRO [NH3+]CCCN(Cc1cc(F)cc(F)c1O)c1cccc(F)c1 ZINC001560702718 1189363857 /nfs/dbraw/zinc/36/38/57/1189363857.db2.gz CLMKPECRNHLMCE-UHFFFAOYSA-N 1 0 310.319 3.165 20 10 DGCDRO C[N@@H+](Cc1ccc(Cl)cc1O)C[C@@H](O)Cc1ccccc1 ZINC001560859348 1189394839 /nfs/dbraw/zinc/39/48/39/1189394839.db2.gz IROOVPSGJKLGIJ-INIZCTEOSA-N 1 0 305.805 3.081 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC001560868889 1189396549 /nfs/dbraw/zinc/39/65/49/1189396549.db2.gz QWPOWLMHJHZTBL-ZDUSSCGKSA-N 1 0 321.808 3.006 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC001560868888 1189397750 /nfs/dbraw/zinc/39/77/50/1189397750.db2.gz QWPOWLMHJHZTBL-CYBMUJFWSA-N 1 0 321.808 3.006 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC001560909033 1189404810 /nfs/dbraw/zinc/40/48/10/1189404810.db2.gz IWSMRGQRDGNSMQ-HOTGVXAUSA-N 1 0 308.853 3.461 20 10 DGCDRO CC(=O)OC[C@H](C)[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC001560956668 1189410278 /nfs/dbraw/zinc/41/02/78/1189410278.db2.gz FLRZIEBTEZEKNP-AWEZNQCLSA-N 1 0 314.429 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2CCCCC2)cc1C ZINC001566994548 1189986054 /nfs/dbraw/zinc/98/60/54/1189986054.db2.gz GWHBGUKNGYJKRP-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)CC[NH+](C)C ZINC001568137436 1190433264 /nfs/dbraw/zinc/43/32/64/1190433264.db2.gz RSHTWWCNQMXMPO-HNNXBMFYSA-N 1 0 306.450 3.109 20 10 DGCDRO CCC[C@@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001568263243 1190466599 /nfs/dbraw/zinc/46/65/99/1190466599.db2.gz VNUFFXZUHIQQCI-GDBMZVCRSA-N 1 0 320.477 3.376 20 10 DGCDRO CC[C@H](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001571384783 1191010298 /nfs/dbraw/zinc/01/02/98/1191010298.db2.gz VXCMDNSMJCFWBH-HOCLYGCPSA-N 1 0 320.477 3.376 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2OCc3ccccc32)cc1F ZINC001621105307 1193760478 /nfs/dbraw/zinc/76/04/78/1193760478.db2.gz NEUIEGDOQARQLY-SFHVURJKSA-N 1 0 300.377 3.253 20 10 DGCDRO c1cc(CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)cs1 ZINC001621108300 1193763514 /nfs/dbraw/zinc/76/35/14/1193763514.db2.gz LOTCGPFLCDAJAP-UHFFFAOYSA-N 1 0 316.470 3.307 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)cc1 ZINC001620481896 1193772248 /nfs/dbraw/zinc/77/22/48/1193772248.db2.gz UZNKASBQMADKHY-VQTJNVASSA-N 1 0 310.441 3.451 20 10 DGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C1(C)C ZINC001621122155 1193805533 /nfs/dbraw/zinc/80/55/33/1193805533.db2.gz UCTFKECKKBKKLU-IRXDYDNUSA-N 1 0 307.434 3.345 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CCC[N@@H+](C(C)(C)C)CC1 ZINC001621170378 1193812406 /nfs/dbraw/zinc/81/24/06/1193812406.db2.gz LOLNIDNWNYOOBL-UHFFFAOYSA-N 1 0 303.494 3.367 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)cc1 ZINC001621435272 1193843155 /nfs/dbraw/zinc/84/31/55/1193843155.db2.gz UZJREAGIUMIFMH-NCOADZHNSA-N 1 0 300.446 3.300 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC001621441786 1193843933 /nfs/dbraw/zinc/84/39/33/1193843933.db2.gz OMBGNUUKKWSDKJ-CVEARBPZSA-N 1 0 311.372 3.420 20 10 DGCDRO CC[C@H](C[NH2+]Cc1cc(C)cc(OC)c1O)C(=O)OC(C)(C)C ZINC001621532114 1193854801 /nfs/dbraw/zinc/85/48/01/1193854801.db2.gz ZWOXIAWGGMSVSF-CYBMUJFWSA-N 1 0 323.433 3.167 20 10 DGCDRO OCCc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC001621557731 1193858358 /nfs/dbraw/zinc/85/83/58/1193858358.db2.gz RZGSRBCTJUABAU-UHFFFAOYSA-N 1 0 307.393 3.370 20 10 DGCDRO CCCC[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001627464617 1194130333 /nfs/dbraw/zinc/13/03/33/1194130333.db2.gz PCVZWPLLLMKOJS-MAUKXSAKSA-N 1 0 319.493 3.298 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC001629042570 1194210619 /nfs/dbraw/zinc/21/06/19/1194210619.db2.gz NYLSGXPYPWZFRD-GFCCVEGCSA-N 1 0 319.474 3.226 20 10 DGCDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001633315526 1194431011 /nfs/dbraw/zinc/43/10/11/1194431011.db2.gz RYILQBXTYFQXGA-MAUKXSAKSA-N 1 0 317.477 3.050 20 10 DGCDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001639387519 1194762761 /nfs/dbraw/zinc/76/27/61/1194762761.db2.gz MVWKUDXBQRMEIQ-MRXNPFEDSA-N 1 0 312.413 3.034 20 10 DGCDRO Cc1cc(C[N@H+]2CC[C@H](CO)[C@H]2C)ccc1N1CCCCC1 ZINC001642906453 1194953154 /nfs/dbraw/zinc/95/31/54/1194953154.db2.gz RZCBDUPYIXPZBC-SJLPKXTDSA-N 1 0 302.462 3.188 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC001643685494 1195045044 /nfs/dbraw/zinc/04/50/44/1195045044.db2.gz ZSYXFJYSHRDSTP-IXDOHACOSA-N 1 0 302.462 3.499 20 10 DGCDRO COc1ccc(N(C)C[C@@H]2CCCC[N@@H+]2C(C)C)cc1OC ZINC001644464661 1195110578 /nfs/dbraw/zinc/11/05/78/1195110578.db2.gz UQXUPSQPRQKBDC-INIZCTEOSA-N 1 0 306.450 3.403 20 10 DGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)cc1Cl ZINC001644813797 1195135743 /nfs/dbraw/zinc/13/57/43/1195135743.db2.gz VDTMYUIHRUXPFT-UHFFFAOYSA-N 1 0 319.788 3.464 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)cc1 ZINC001645534802 1195192184 /nfs/dbraw/zinc/19/21/84/1195192184.db2.gz RWNQKMYVVLXIKX-OAQYLSRUSA-N 1 0 323.484 3.111 20 10 DGCDRO Cc1cc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)ccc1N1CCCCC1 ZINC001647806503 1195254610 /nfs/dbraw/zinc/25/46/10/1195254610.db2.gz IFPJHZUGZKIGJK-XLIONFOSSA-N 1 0 316.489 3.436 20 10 DGCDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001648702850 1195324796 /nfs/dbraw/zinc/32/47/96/1195324796.db2.gz JDYTXQPNMXXFCM-MAUKXSAKSA-N 1 0 319.468 3.246 20 10 DGCDRO COc1ccc(C[NH2+]CCOc2ncccc2Cl)cc1C ZINC001650667610 1195370730 /nfs/dbraw/zinc/37/07/30/1195370730.db2.gz UWSBKTPXIZEWTK-UHFFFAOYSA-N 1 0 306.793 3.221 20 10 DGCDRO Cc1c(F)cccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001650712938 1195374261 /nfs/dbraw/zinc/37/42/61/1195374261.db2.gz OMKXOTUTRQUJGW-UHFFFAOYSA-N 1 0 313.420 3.498 20 10 DGCDRO CCCC[N@H+](C)C[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001651160063 1195421483 /nfs/dbraw/zinc/42/14/83/1195421483.db2.gz VMJBJTLJYFYCEU-ZDUSSCGKSA-N 1 0 313.436 3.241 20 10 DGCDRO OC[C@H](CC1CCCCC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001651237388 1195431385 /nfs/dbraw/zinc/43/13/85/1195431385.db2.gz UGBGABWXDUZWAO-SFHVURJKSA-N 1 0 303.446 3.433 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c(Cl)c1 ZINC001651542498 1195478211 /nfs/dbraw/zinc/47/82/11/1195478211.db2.gz YLHKRKZTCGRQPA-CYBMUJFWSA-N 1 0 324.774 3.326 20 10 DGCDRO COC[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(C)C ZINC001651611762 1195486661 /nfs/dbraw/zinc/48/66/61/1195486661.db2.gz JWBRWJLFURKPTB-ZDUSSCGKSA-N 1 0 300.393 3.039 20 10 DGCDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001652177062 1195557235 /nfs/dbraw/zinc/55/72/35/1195557235.db2.gz OISZTHIDOBRXBG-CYBMUJFWSA-N 1 0 319.836 3.234 20 10 DGCDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001652220490 1195564175 /nfs/dbraw/zinc/56/41/75/1195564175.db2.gz CBOUIUCJUHEKFY-BFQNTYOBSA-N 1 0 312.404 3.012 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2(C(=O)OCC)CC2)cc1C ZINC001652257283 1195570970 /nfs/dbraw/zinc/57/09/70/1195570970.db2.gz QCQMVCRUJGCJAM-UHFFFAOYSA-N 1 0 305.418 3.217 20 10 DGCDRO COc1ccc(N2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1F ZINC001653749224 1195748020 /nfs/dbraw/zinc/74/80/20/1195748020.db2.gz GWWRUQHCANYGPH-OAGGEKHMSA-N 1 0 318.436 3.393 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(F)c(F)c1 ZINC001654532629 1195813770 /nfs/dbraw/zinc/81/37/70/1195813770.db2.gz YFSWHRSUDYPDIP-QWRGUYRKSA-N 1 0 320.339 3.348 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(F)(C3CC3)CC2)c1O ZINC001656365196 1196033628 /nfs/dbraw/zinc/03/36/28/1196033628.db2.gz RICNNEVHYMPAOO-UHFFFAOYSA-N 1 0 309.356 3.448 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCCN2CCCCC2=O)cc1C ZINC001656385321 1196034963 /nfs/dbraw/zinc/03/49/63/1196034963.db2.gz LVYTVKITINLCFT-UHFFFAOYSA-N 1 0 318.461 3.276 20 10 DGCDRO c1ccc(CN2CC[C@H]2C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001656682306 1196061371 /nfs/dbraw/zinc/06/13/71/1196061371.db2.gz HNAOEHCZKQOWRM-FQEVSTJZSA-N 1 0 322.452 3.376 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCN(C)Cc2ccccc2)cc1 ZINC001656947134 1196085876 /nfs/dbraw/zinc/08/58/76/1196085876.db2.gz MKRVGRSWLYTEQX-JXMROGBWSA-N 1 0 323.484 3.487 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CC3(CCC3)CO2)cc1F ZINC001656985906 1196089638 /nfs/dbraw/zinc/08/96/38/1196089638.db2.gz VMQOWXYXRJEJJR-CYBMUJFWSA-N 1 0 310.388 3.080 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001657056228 1196097851 /nfs/dbraw/zinc/09/78/51/1196097851.db2.gz NNSADDRUORZNGA-YQHFQFMOSA-N 1 0 300.446 3.313 20 10 DGCDRO CC[N@H+](Cc1ccc(C)cc1O)[C@H]1CCN(c2ccccc2)C1=O ZINC001657209450 1196119028 /nfs/dbraw/zinc/11/90/28/1196119028.db2.gz XLANJBFLLXDOGH-SFHVURJKSA-N 1 0 324.424 3.328 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1C ZINC001657555011 1196154625 /nfs/dbraw/zinc/15/46/25/1196154625.db2.gz ZGUQDWJGYIRKQX-MRXNPFEDSA-N 1 0 313.397 3.323 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC001658002569 1196200777 /nfs/dbraw/zinc/20/07/77/1196200777.db2.gz DQEXDOPTBAPGGC-PXNSSMCTSA-N 1 0 312.457 3.373 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCNc1cccc(C)n1 ZINC001658048362 1196207183 /nfs/dbraw/zinc/20/71/83/1196207183.db2.gz AGLRUAZKCBGVSG-UHFFFAOYSA-N 1 0 308.429 3.392 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCCCC[C@H]2CCO)cc1F ZINC001658093654 1196211096 /nfs/dbraw/zinc/21/10/96/1196211096.db2.gz MBNGIQMXOAZBGO-AWEZNQCLSA-N 1 0 312.404 3.158 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCCCC[C@@H]2CCO)cc1 ZINC001658092354 1196211274 /nfs/dbraw/zinc/21/12/74/1196211274.db2.gz CSQLEXMCDMYHGX-LIXSYLKWSA-N 1 0 302.462 3.393 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](CCO)C2CCCCC2)cc1 ZINC001658205284 1196225253 /nfs/dbraw/zinc/22/52/53/1196225253.db2.gz GSJJFPSANDUVBM-VOTSOKGWSA-N 1 0 302.462 3.393 20 10 DGCDRO COC(=O)C1([N@H+](C)Cc2ccc(N(C)C)cc2C)CCCCC1 ZINC001658243062 1196230193 /nfs/dbraw/zinc/23/01/93/1196230193.db2.gz QCMAEAKIVKJNSC-UHFFFAOYSA-N 1 0 318.461 3.369 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)cc1F ZINC001658367090 1196247172 /nfs/dbraw/zinc/24/71/72/1196247172.db2.gz CQBIYNLHTAIMJP-ROUUACIJSA-N 1 0 306.425 3.329 20 10 DGCDRO Cc1ccc(C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)c(O)c1 ZINC001658394861 1196250354 /nfs/dbraw/zinc/25/03/54/1196250354.db2.gz CQIKTTMYGSWKIK-UHFFFAOYSA-N 1 0 318.804 3.391 20 10 DGCDRO COc1cc(C)c(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c(O)c1 ZINC001658402309 1196251593 /nfs/dbraw/zinc/25/15/93/1196251593.db2.gz CYRNSODCTYOGIV-MSOLQXFVSA-N 1 0 301.361 3.436 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC001658876274 1196313870 /nfs/dbraw/zinc/31/38/70/1196313870.db2.gz BSHQKXXAVWTIKU-IAGOWNOFSA-N 1 0 317.429 3.086 20 10 DGCDRO CCOc1ccc(CC[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC001659032110 1196334749 /nfs/dbraw/zinc/33/47/49/1196334749.db2.gz ZFBFXOISLSPELT-UHFFFAOYSA-N 1 0 315.413 3.440 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCCOc2cccc(F)c2)c1O ZINC001659053343 1196338752 /nfs/dbraw/zinc/33/87/52/1196338752.db2.gz HSEFGQODOAULDY-UHFFFAOYSA-N 1 0 319.376 3.407 20 10 DGCDRO CSC(C)(C)CC[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001659060717 1196338970 /nfs/dbraw/zinc/33/89/70/1196338970.db2.gz VLUIAZCBVADCII-QGZVFWFLSA-N 1 0 323.550 3.477 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ncccc2Br)c1O ZINC001659103208 1196345631 /nfs/dbraw/zinc/34/56/31/1196345631.db2.gz OKMWLXVIPKJMQV-UHFFFAOYSA-N 1 0 321.218 3.402 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC001659250727 1196363582 /nfs/dbraw/zinc/36/35/82/1196363582.db2.gz VXUMDTXTKIZHPZ-RDTXWAMCSA-N 1 0 307.434 3.250 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCC(F)(F)C2)cc1 ZINC001659280754 1196366723 /nfs/dbraw/zinc/36/67/23/1196366723.db2.gz IIDNLAAPLUYTTP-AWEZNQCLSA-N 1 0 312.404 3.499 20 10 DGCDRO COCC[N@H+](Cc1c(C)cc(OC)cc1O)[C@@H]1CC[C@@H](C)C1 ZINC001659643912 1196401412 /nfs/dbraw/zinc/40/14/12/1196401412.db2.gz MHZOANUDCPFCNC-UKRRQHHQSA-N 1 0 307.434 3.346 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3C[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001660090430 1196444365 /nfs/dbraw/zinc/44/43/65/1196444365.db2.gz BYWUOHUMTVWXLQ-LNMJFAINSA-N 1 0 300.446 3.300 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC001660436674 1196483721 /nfs/dbraw/zinc/48/37/21/1196483721.db2.gz LTQZFIRCNOWIOF-UHFFFAOYSA-N 1 0 308.381 3.281 20 10 DGCDRO Fc1ccccc1OCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001660816032 1196528684 /nfs/dbraw/zinc/52/86/84/1196528684.db2.gz AGJFRYMRTGDRJS-UHFFFAOYSA-N 1 0 301.361 3.319 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1OC ZINC001661524026 1196615595 /nfs/dbraw/zinc/61/55/95/1196615595.db2.gz LNWCGSCSEZEVKO-NXHRZFHOSA-N 1 0 319.445 3.135 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)c1ccccc1F ZINC001661595618 1196623057 /nfs/dbraw/zinc/62/30/57/1196623057.db2.gz WDFQVSDAMJOEJO-HKUYNNGSSA-N 1 0 315.388 3.362 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)c1ccccc1F ZINC001661595619 1196623258 /nfs/dbraw/zinc/62/32/58/1196623258.db2.gz WDFQVSDAMJOEJO-IEBWSBKVSA-N 1 0 315.388 3.362 20 10 DGCDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001661847945 1196650716 /nfs/dbraw/zinc/65/07/16/1196650716.db2.gz FCSZCKIAYBWVRG-UZLBHIALSA-N 1 0 313.489 3.249 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](CO)C(C)C ZINC001662502787 1196726563 /nfs/dbraw/zinc/72/65/63/1196726563.db2.gz MRVGOSXKIKBSNT-PKOBYXMFSA-N 1 0 305.462 3.390 20 10 DGCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001662591279 1196731851 /nfs/dbraw/zinc/73/18/51/1196731851.db2.gz WOGHXWYYWHOFMB-OAHLLOKOSA-N 1 0 321.484 3.492 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)CC2CCCC2)c1O ZINC001664465368 1197002354 /nfs/dbraw/zinc/00/23/54/1197002354.db2.gz GVGLTTXBBVGBAK-AWEZNQCLSA-N 1 0 313.825 3.085 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CC(C(=O)OC(C)(C)C)C1 ZINC001664577153 1197016198 /nfs/dbraw/zinc/01/61/98/1197016198.db2.gz OHQWNOXDMYUDTJ-UHFFFAOYSA-N 1 0 318.461 3.482 20 10 DGCDRO Cc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c(O)c1 ZINC001664640408 1197024132 /nfs/dbraw/zinc/02/41/32/1197024132.db2.gz SGUBZFGPTGZIOL-MRXNPFEDSA-N 1 0 320.433 3.190 20 10 DGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccsc2)c(O)c1 ZINC001664966380 1197081884 /nfs/dbraw/zinc/08/18/84/1197081884.db2.gz CDEXMPUQPQHIJP-UHFFFAOYSA-N 1 0 304.459 3.326 20 10 DGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001665022645 1197088148 /nfs/dbraw/zinc/08/81/48/1197088148.db2.gz ULYZYVFLMQAGIW-GOSISDBHSA-N 1 0 305.418 3.291 20 10 DGCDRO COc1cc(C)c(C[NH2+]C2CC3(C2)COC(C)(C)C3)c(O)c1 ZINC001665842793 1197205480 /nfs/dbraw/zinc/20/54/80/1197205480.db2.gz XRZAEZFWZNQHHS-UHFFFAOYSA-N 1 0 305.418 3.147 20 10 DGCDRO Oc1c(C[NH2+]Cc2ccc3nonc3c2)ccc2ccccc21 ZINC001665857627 1197208199 /nfs/dbraw/zinc/20/81/99/1197208199.db2.gz CUQMAFYWHBFPBZ-UHFFFAOYSA-N 1 0 305.337 3.371 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)C[C@]23CCC[C@H]2OCC3)c(O)c1 ZINC001665926325 1197217609 /nfs/dbraw/zinc/21/76/09/1197217609.db2.gz QJQIMXDEDVOYGT-QZTJIDSGSA-N 1 0 305.418 3.100 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]2C2CCCC2)c(O)c1OC ZINC001665931028 1197218269 /nfs/dbraw/zinc/21/82/69/1197218269.db2.gz DEQVJLLLQNPNQR-HUUCEWRRSA-N 1 0 305.418 3.325 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CCCC2)cc1C ZINC001674618662 1197803217 /nfs/dbraw/zinc/80/32/17/1197803217.db2.gz MFLQRKUUKUBSPS-CABCVRRESA-N 1 0 318.461 3.177 20 10 DGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[NH2+]C(C)(C)C ZINC000321400505 1199852872 /nfs/dbraw/zinc/85/28/72/1199852872.db2.gz LECYEJFILHSNBV-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO CCCC(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001698623311 1201293496 /nfs/dbraw/zinc/29/34/96/1201293496.db2.gz ARDGZCCQCRXUHM-UHFFFAOYSA-N 1 0 318.461 3.322 20 10 DGCDRO C=C/C(C)=C\CC(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001752895253 1201999586 /nfs/dbraw/zinc/99/95/86/1201999586.db2.gz ZSEJMCAFWJFGSY-VFXTVZEFSA-N 1 0 316.445 3.120 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C2CCCC2)cc1C ZINC001753000584 1202049759 /nfs/dbraw/zinc/04/97/59/1202049759.db2.gz KDBLQVNNMQAPOI-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO CC/C(C)=C\C(=O)NC[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753612512 1202299757 /nfs/dbraw/zinc/29/97/57/1202299757.db2.gz HFYCVRHJDPRZOV-KQGZCTBQSA-N 1 0 318.461 3.202 20 10 DGCDRO CCC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700763712 1202350196 /nfs/dbraw/zinc/35/01/96/1202350196.db2.gz HOERHFFJXOTYMB-HNNXBMFYSA-N 1 0 320.477 3.376 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)CC1(C)CC1 ZINC001732786785 1204943638 /nfs/dbraw/zinc/94/36/38/1204943638.db2.gz XRPPCMHTRDBJDL-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H](C)C(C)C ZINC001732799740 1204945968 /nfs/dbraw/zinc/94/59/68/1204945968.db2.gz PQMOCYYJJQEPQZ-MRXNPFEDSA-N 1 0 320.477 3.234 20 10 DGCDRO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593263709 994560125 /nfs/dbraw/zinc/56/01/25/994560125.db2.gz BTLOXJKBFPNNKM-AWEZNQCLSA-N 1 0 320.433 3.007 20 10 DGCDRO Cc1cc(Br)c(O)c(CN2C[C@@H](C)[C@@H](F)C2)c1 ZINC001236662244 1099729490 /nfs/dbraw/zinc/72/94/90/1099729490.db2.gz AXSKPFDVECOTCC-SKDRFNHKSA-N 1 0 302.187 3.253 20 10 DGCDRO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(Br)cc1O ZINC000691452119 1081795780 /nfs/dbraw/zinc/79/57/80/1081795780.db2.gz CQRLKNSGYXSGNZ-JTQLQIEISA-N 1 0 310.191 3.469 20 10 DGCDRO CCC[C@@]1([NH2+]Cc2ccc(Br)cc2O)CCOC1 ZINC000691468396 1081858202 /nfs/dbraw/zinc/85/82/02/1081858202.db2.gz MFQMJFWPVMOMRD-CQSZACIVSA-N 1 0 314.223 3.204 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]C1CCSCC1 ZINC000691468485 1081858275 /nfs/dbraw/zinc/85/82/75/1081858275.db2.gz UHQCKTJCWLPEES-UHFFFAOYSA-N 1 0 302.237 3.140 20 10 DGCDRO CC1(C)OCC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000693063024 1081875046 /nfs/dbraw/zinc/87/50/46/1081875046.db2.gz BQFVNIJFIQMUCD-NSHDSACASA-N 1 0 314.223 3.059 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001140178535 1081936829 /nfs/dbraw/zinc/93/68/29/1081936829.db2.gz NQZCCWBXKNNRFC-WFASDCNBSA-N 1 0 317.351 3.144 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1O ZINC000398005256 1082053353 /nfs/dbraw/zinc/05/33/53/1082053353.db2.gz GRDZMXAUVPVJRG-QFBILLFUSA-N 1 0 310.441 3.453 20 10 DGCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cnc1C ZINC001167434504 1082114170 /nfs/dbraw/zinc/11/41/70/1082114170.db2.gz NFAZJCQOZGMOKL-UHFFFAOYSA-N 1 0 310.445 3.062 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cnc4c(c3)CN=N4)cc2)CC1 ZINC001167437306 1082122740 /nfs/dbraw/zinc/12/27/40/1082122740.db2.gz PHJNIYQSVAEXSC-UHFFFAOYSA-N 1 0 322.416 3.043 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000402337552 1082129696 /nfs/dbraw/zinc/12/96/96/1082129696.db2.gz VMTGOXHSEYJBNJ-LLVKDONJSA-N 1 0 314.223 3.061 20 10 DGCDRO CCCO[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707142183 1082213973 /nfs/dbraw/zinc/21/39/73/1082213973.db2.gz IFUNFVDOOGOCBE-NSHDSACASA-N 1 0 314.223 3.156 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2c(Br)cnn2C)c(O)c1 ZINC000693433320 1082226219 /nfs/dbraw/zinc/22/62/19/1082226219.db2.gz ZGAUINNGQIIQSB-JTQLQIEISA-N 1 0 324.222 3.047 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)c(OC)c1 ZINC001170159247 1082268106 /nfs/dbraw/zinc/26/81/06/1082268106.db2.gz RWZNJZKMXYEWNG-LSDHHAIUSA-N 1 0 304.434 3.014 20 10 DGCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140468518 1082292411 /nfs/dbraw/zinc/29/24/11/1082292411.db2.gz NOGSSQJEQKOTFA-ZDUSSCGKSA-N 1 0 311.809 3.211 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC001170281367 1082340433 /nfs/dbraw/zinc/34/04/33/1082340433.db2.gz ZVAQJQOUXWMFGH-SJORKVTESA-N 1 0 318.461 3.273 20 10 DGCDRO COC(C)(C)C[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000404326294 1082653704 /nfs/dbraw/zinc/65/37/04/1082653704.db2.gz SSWCRVJJPQEKCI-UHFFFAOYSA-N 1 0 316.239 3.320 20 10 DGCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCOC3(C)C)CC2)c1O ZINC001140750136 1082963903 /nfs/dbraw/zinc/96/39/03/1082963903.db2.gz WDLXQVKFEXYRFE-UHFFFAOYSA-N 1 0 305.418 3.187 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2CCC2)cc1C ZINC001133464671 1083129344 /nfs/dbraw/zinc/12/93/44/1083129344.db2.gz CGOXCLDXPTZQGX-GJZGRUSLSA-N 1 0 318.461 3.177 20 10 DGCDRO CN(C)c1ccc(CN2CC[N@H+](C)CC23CCCC3)c(Cl)c1 ZINC001140926384 1083188609 /nfs/dbraw/zinc/18/86/09/1083188609.db2.gz LTRNZSPIMXDCAX-UHFFFAOYSA-N 1 0 321.896 3.466 20 10 DGCDRO CC1(C)[C@@H]2C[C@H]([NH2+]C3CCN(Cc4ccccc4O)CC3)C[C@@H]21 ZINC001170732517 1083247924 /nfs/dbraw/zinc/24/79/24/1083247924.db2.gz ZTPVRBDWFRWGNG-BCDXTJNWSA-N 1 0 314.473 3.381 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1O ZINC001181125073 1083413341 /nfs/dbraw/zinc/41/33/41/1083413341.db2.gz IPUZGUFVRFDTST-HOTGVXAUSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC2(OC)CCC(C)CC2)c1O ZINC001181410941 1083460448 /nfs/dbraw/zinc/46/04/48/1083460448.db2.gz UOOZYILCXGJGLN-UHFFFAOYSA-N 1 0 307.434 3.394 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3ncccc3c2)c(O)c1OC ZINC001181436134 1083474542 /nfs/dbraw/zinc/47/45/42/1083474542.db2.gz MCLQESHILHWLGH-UHFFFAOYSA-N 1 0 324.380 3.247 20 10 DGCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001181763448 1083532587 /nfs/dbraw/zinc/53/25/87/1083532587.db2.gz JLHPPWJKTRGFQV-KGLIPLIRSA-N 1 0 311.809 3.257 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2C(=O)NCC2(CC)CC)cc1C ZINC001183981612 1084080851 /nfs/dbraw/zinc/08/08/51/1084080851.db2.gz OVMPQJWWDLHAIZ-KRWDZBQOSA-N 1 0 318.461 3.178 20 10 DGCDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(OC)cc1O ZINC001203629163 1084547071 /nfs/dbraw/zinc/54/70/71/1084547071.db2.gz RJQIQEUHHBSUHR-UHFFFAOYSA-N 1 0 300.402 3.251 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCC(C)C)cc1C ZINC001268679599 1084939800 /nfs/dbraw/zinc/93/98/00/1084939800.db2.gz KEVJUKBRKTUBPS-HNNXBMFYSA-N 1 0 306.450 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C(C)C)cc1C ZINC001271128518 1086348984 /nfs/dbraw/zinc/34/89/84/1086348984.db2.gz CZFLNOPHRDOPCE-JKSUJKDBSA-N 1 0 320.477 3.232 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1(CC)CC1 ZINC001482947389 1087198239 /nfs/dbraw/zinc/19/82/39/1087198239.db2.gz HVGJVOCQURNDGH-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]CC1CCSCC1 ZINC000691440212 1087303514 /nfs/dbraw/zinc/30/35/14/1087303514.db2.gz ODFXAYZLBQTFQS-UHFFFAOYSA-N 1 0 316.264 3.388 20 10 DGCDRO CCC[N@H+](CC)Cc1ccc(I)cc1O ZINC001232975268 1087641651 /nfs/dbraw/zinc/64/16/51/1087641651.db2.gz YJYBKUBDVJPFDO-UHFFFAOYSA-N 1 0 319.186 3.229 20 10 DGCDRO CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1O ZINC001272619352 1088325804 /nfs/dbraw/zinc/32/58/04/1088325804.db2.gz VBMAPABMYPHLPN-HNAYVOBHSA-N 1 0 316.445 3.148 20 10 DGCDRO CC[NH+]1CCN(c2ccc(Nc3ccc(N)cc3)cc2F)CC1 ZINC001159558611 1088395443 /nfs/dbraw/zinc/39/54/43/1088395443.db2.gz YPGLTKNBKSMVRH-UHFFFAOYSA-N 1 0 314.408 3.293 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001160786051 1088961865 /nfs/dbraw/zinc/96/18/65/1088961865.db2.gz KQKZFTHOEFRFOH-HNNXBMFYSA-N 1 0 318.461 3.036 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c2ccccc21 ZINC001206658026 1089211971 /nfs/dbraw/zinc/21/19/71/1089211971.db2.gz UMGHFSZQYOYDMZ-KRWDZBQOSA-N 1 0 319.399 3.074 20 10 DGCDRO CN(C)c1ccc(CN(C)c2ncccc2C[NH+]2CCCC2)cc1 ZINC001156928476 1089750322 /nfs/dbraw/zinc/75/03/22/1089750322.db2.gz QQLIWLDGBQZWMD-UHFFFAOYSA-N 1 0 324.472 3.380 20 10 DGCDRO CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485185863 1090011464 /nfs/dbraw/zinc/01/14/64/1090011464.db2.gz AASRBNPYJUGJDM-GJZGRUSLSA-N 1 0 320.477 3.423 20 10 DGCDRO Nc1cccc(NCc2cc(Cl)c3cccnc3c2O)[nH+]1 ZINC001157723793 1090088133 /nfs/dbraw/zinc/08/81/33/1090088133.db2.gz CYCQELMUUHNDED-UHFFFAOYSA-N 1 0 300.749 3.183 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC[C@H]2C)cc1C ZINC001127929607 1090544241 /nfs/dbraw/zinc/54/42/41/1090544241.db2.gz UUTLLKMRQBSSAD-RHSMWYFYSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccccc3O)CCO2)cc1 ZINC001168583807 1090584437 /nfs/dbraw/zinc/58/44/37/1090584437.db2.gz KJIWOWLKIBBPOF-VQIMIIECSA-N 1 0 313.397 3.411 20 10 DGCDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2O)C1 ZINC001203558565 1090614128 /nfs/dbraw/zinc/61/41/28/1090614128.db2.gz MVNAEWFGALSTSK-ZFWWWQNUSA-N 1 0 320.433 3.127 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001203551336 1090754232 /nfs/dbraw/zinc/75/42/32/1090754232.db2.gz CXFJSIAYNAFANE-QUCCMNQESA-N 1 0 322.452 3.489 20 10 DGCDRO Oc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001203552741 1090754435 /nfs/dbraw/zinc/75/44/35/1090754435.db2.gz RUCUVWXGQGPGRK-AYBZRNKSSA-N 1 0 301.430 3.419 20 10 DGCDRO Oc1ccccc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001203556602 1090755228 /nfs/dbraw/zinc/75/52/28/1090755228.db2.gz VENXCHKLVGLCRJ-MJGOQNOKSA-N 1 0 308.425 3.099 20 10 DGCDRO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC001203558733 1090755449 /nfs/dbraw/zinc/75/54/49/1090755449.db2.gz ZCLCVXFWPSGHSZ-CQSZACIVSA-N 1 0 301.390 3.278 20 10 DGCDRO NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC001203558503 1090756026 /nfs/dbraw/zinc/75/60/26/1090756026.db2.gz LFKVYTHCNJZIKO-MJGOQNOKSA-N 1 0 324.424 3.016 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c1O ZINC001203595512 1090764403 /nfs/dbraw/zinc/76/44/03/1090764403.db2.gz GOQRCMBWPUIFST-QGZVFWFLSA-N 1 0 313.397 3.192 20 10 DGCDRO C[C@@]1(CF)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203636128 1090771044 /nfs/dbraw/zinc/77/10/44/1090771044.db2.gz PJVVBFVNJGLRPO-ZDUSSCGKSA-N 1 0 302.187 3.336 20 10 DGCDRO CC[C@@H]1[N@H+](Cc2cc(Cl)ccc2O)CCC[C@]12CCC(=O)N2 ZINC001203657370 1090774302 /nfs/dbraw/zinc/77/43/02/1090774302.db2.gz DAPWPNDUSPBPLE-RDJZCZTQSA-N 1 0 322.836 3.069 20 10 DGCDRO Cc1cccnc1O[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665590 1090775915 /nfs/dbraw/zinc/77/59/15/1090775915.db2.gz OIZCWCYERJQBIF-HNNXBMFYSA-N 1 0 318.804 3.402 20 10 DGCDRO Oc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)cc1O ZINC001203877630 1090825338 /nfs/dbraw/zinc/82/53/38/1090825338.db2.gz UXLYQXLMTAPBNM-JTDSTZFVSA-N 1 0 317.429 3.125 20 10 DGCDRO 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CC[N@H+](Cc1ccccc1O)Cc1ccccc1CC(=O)OC ZINC001140654550 1091946831 /nfs/dbraw/zinc/94/68/31/1091946831.db2.gz PBFYWUAGLMYGOE-UHFFFAOYSA-N 1 0 313.397 3.130 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCCCCCC1 ZINC001140663761 1091949579 /nfs/dbraw/zinc/94/95/79/1091949579.db2.gz OOZZLQLMMVAVOM-UHFFFAOYSA-N 1 0 306.425 3.428 20 10 DGCDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140662475 1091950430 /nfs/dbraw/zinc/95/04/30/1091950430.db2.gz VSIGQZJMIYATEK-HUUCEWRRSA-N 1 0 306.425 3.425 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C[C@@H]1CC1(C)C ZINC001140664127 1091952914 /nfs/dbraw/zinc/95/29/14/1091952914.db2.gz ZMRRZUCNMKAPAJ-HNNXBMFYSA-N 1 0 306.425 3.140 20 10 DGCDRO COc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(C)c1 ZINC001140677360 1091954357 /nfs/dbraw/zinc/95/43/57/1091954357.db2.gz JZRPIUNWAVOETG-UHFFFAOYSA-N 1 0 313.397 3.363 20 10 DGCDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(O)c(C)c1O ZINC001140747426 1091984454 /nfs/dbraw/zinc/98/44/54/1091984454.db2.gz CJTWDRTWDXUPHR-UHFFFAOYSA-N 1 0 300.402 3.256 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c(O)c1 ZINC001140850033 1092028911 /nfs/dbraw/zinc/02/89/11/1092028911.db2.gz AZQFWRYDQLLKBM-HNAYVOBHSA-N 1 0 320.477 3.221 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c(O)c1 ZINC001140856387 1092031726 /nfs/dbraw/zinc/03/17/26/1092031726.db2.gz JHJMWHYLLTWKLA-RHSMWYFYSA-N 1 0 316.445 3.039 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001140922190 1092062420 /nfs/dbraw/zinc/06/24/20/1092062420.db2.gz JTUQUKNTFWMOHR-CXAGYDPISA-N 1 0 308.853 3.407 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](O)(CF)CC2)c(Cl)c1 ZINC001140921929 1092063186 /nfs/dbraw/zinc/06/31/86/1092063186.db2.gz WFMBKTOOQVCDBL-MRXNPFEDSA-N 1 0 314.832 3.093 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC001140924612 1092065510 /nfs/dbraw/zinc/06/55/10/1092065510.db2.gz SCOHJRMXFJVMLH-UHFFFAOYSA-N 1 0 321.896 3.466 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c(O)c1 ZINC001140949648 1092074589 /nfs/dbraw/zinc/07/45/89/1092074589.db2.gz HALBTLPYWXCEFT-UHFFFAOYSA-N 1 0 315.388 3.323 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1 ZINC001140948240 1092075862 /nfs/dbraw/zinc/07/58/62/1092075862.db2.gz ZCXFZVXTNFUKHI-CQSZACIVSA-N 1 0 320.433 3.142 20 10 DGCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(C)cc1O)C2 ZINC001140947943 1092075926 /nfs/dbraw/zinc/07/59/26/1092075926.db2.gz MDIPHNJFKPBLDJ-UHFFFAOYSA-N 1 0 311.381 3.046 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c(OC)c1 ZINC001141026388 1092110714 /nfs/dbraw/zinc/11/07/14/1092110714.db2.gz OPRLJJKIPNQIAT-UHFFFAOYSA-N 1 0 315.360 3.277 20 10 DGCDRO CC[N@H+](CCn1cccn1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078330 1092131245 /nfs/dbraw/zinc/13/12/45/1092131245.db2.gz SFQBYPSQABHPIB-UHFFFAOYSA-N 1 0 324.472 3.104 20 10 DGCDRO CN1CCOc2cc(C[N@H+](C)CCc3ccc(F)cc3)ccc21 ZINC001141143966 1092150623 /nfs/dbraw/zinc/15/06/23/1092150623.db2.gz QEOQWVISFULDSX-UHFFFAOYSA-N 1 0 314.404 3.329 20 10 DGCDRO Oc1ccc(O)c(C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC001141160098 1092156164 /nfs/dbraw/zinc/15/61/64/1092156164.db2.gz QPCXATGDXXJCFS-INIZCTEOSA-N 1 0 301.411 3.388 20 10 DGCDRO CC(C)OCC(C)(C)[NH2+]Cc1ccc(Br)cc1O ZINC000691417689 1092208817 /nfs/dbraw/zinc/20/88/17/1092208817.db2.gz WPQUSNMXHMYQJB-UHFFFAOYSA-N 1 0 316.239 3.448 20 10 DGCDRO C[N@H+]1CC=C(n2c(=N)ccc(/N=N/c3ccccc3)c2N)CC1 ZINC001208741036 1092483597 /nfs/dbraw/zinc/48/35/97/1092483597.db2.gz BRPUHNIOKFHMKO-HWFPJJNUSA-N 1 0 308.389 3.142 20 10 DGCDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC001169094971 1092524008 /nfs/dbraw/zinc/52/40/08/1092524008.db2.gz ODDDIWSGPRRXCG-FNLKRUPLSA-N 1 0 313.489 3.392 20 10 DGCDRO COC(=O)CC1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143105342 1092615049 /nfs/dbraw/zinc/61/50/49/1092615049.db2.gz RNUHDXUCCONWGC-UHFFFAOYSA-N 1 0 319.445 3.465 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@@H]1C ZINC001143110939 1092616720 /nfs/dbraw/zinc/61/67/20/1092616720.db2.gz UAOGBJRDTBTLRS-HIFRSBDPSA-N 1 0 319.445 3.463 20 10 DGCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110777 1092616855 /nfs/dbraw/zinc/61/68/55/1092616855.db2.gz OOVSCBBMACACKO-ZFWWWQNUSA-N 1 0 319.445 3.321 20 10 DGCDRO COC(=O)CC[N@H+](Cc1cccc(C(C)(C)C)c1O)C1CC1 ZINC001143116473 1092618711 /nfs/dbraw/zinc/61/87/11/1092618711.db2.gz COWZVTIDANJOKU-UHFFFAOYSA-N 1 0 305.418 3.217 20 10 DGCDRO COc1ccc(N2CC[NH+](CC3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001209377965 1092747339 /nfs/dbraw/zinc/74/73/39/1092747339.db2.gz IPTSKQMQWAGRMQ-HOTGVXAUSA-N 1 0 318.461 3.021 20 10 DGCDRO C[C@H]1CC(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)C[C@H](C)O1 ZINC001209384381 1092749418 /nfs/dbraw/zinc/74/94/18/1092749418.db2.gz AIVHRYJILRJEGA-STQMWFEESA-N 1 0 305.418 3.050 20 10 DGCDRO CC[C@H](C[N@H+](C)Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC001209466474 1092787160 /nfs/dbraw/zinc/78/71/60/1092787160.db2.gz OPWGPVWCNFZDBX-CQSZACIVSA-N 1 0 308.422 3.127 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)cc1 ZINC001209516123 1092803759 /nfs/dbraw/zinc/80/37/59/1092803759.db2.gz AODRQUORPVJPFD-MSOLQXFVSA-N 1 0 316.420 3.246 20 10 DGCDRO C[NH+](C)CCOc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209766151 1092908891 /nfs/dbraw/zinc/90/88/91/1092908891.db2.gz FXARPSQOGXRTRA-UHFFFAOYSA-N 1 0 313.401 3.175 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCN[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001210354952 1093135361 /nfs/dbraw/zinc/13/53/61/1093135361.db2.gz GHAAEUCNSQFOPK-SFHVURJKSA-N 1 0 310.441 3.026 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Br)ccc1O ZINC000401993778 1093983276 /nfs/dbraw/zinc/98/32/76/1093983276.db2.gz MTYFVTCZOFDIDC-XWIASGKRSA-N 1 0 314.223 3.373 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001120361738 1094414222 /nfs/dbraw/zinc/41/42/22/1094414222.db2.gz BFFWLAPBFTYCIR-SGJCYKPQSA-N 1 0 309.409 3.497 20 10 DGCDRO [NH3+]C12CCC(c3nnc(-c4ccc(-n5cccc5)cc4)o3)(CC1)C2 ZINC001217741059 1094488184 /nfs/dbraw/zinc/48/81/84/1094488184.db2.gz TWSNKVIRYCOMTG-UHFFFAOYSA-N 1 0 320.396 3.440 20 10 DGCDRO O=C1C=CC=CC1=NNc1ccccc1O[C@H]1C[NH2+]CCOC1 ZINC001218040680 1094573934 /nfs/dbraw/zinc/57/39/34/1094573934.db2.gz AHTVUCVDBYHRLT-XEXOPBTESA-N 1 0 313.357 3.175 20 10 DGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCCOCC2)C1 ZINC001170828102 1094593898 /nfs/dbraw/zinc/59/38/98/1094593898.db2.gz SWGMSEIZSXAPNS-CQSZACIVSA-N 1 0 314.429 3.114 20 10 DGCDRO Nc1ccc(C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)cc1 ZINC001336285355 1094616312 /nfs/dbraw/zinc/61/63/12/1094616312.db2.gz KLHLLEFPLZLZCN-LJQANCHMSA-N 1 0 321.424 3.217 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)c(O)c1OC ZINC001336735883 1094716101 /nfs/dbraw/zinc/71/61/01/1094716101.db2.gz PKZFAMQGIQARFP-HZPDHXFCSA-N 1 0 313.397 3.130 20 10 DGCDRO Nc1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC001218391354 1094745195 /nfs/dbraw/zinc/74/51/95/1094745195.db2.gz USKAYNKGGGHFEA-KRWDZBQOSA-N 1 0 300.377 3.451 20 10 DGCDRO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001218955595 1094913992 /nfs/dbraw/zinc/91/39/92/1094913992.db2.gz NHTDIROQASNGHV-BEFAXECRSA-N 1 0 323.440 3.190 20 10 DGCDRO C[N@H+](CCOC(C)(C)C)Cc1ccc(Br)cc1O ZINC000689891666 1094916740 /nfs/dbraw/zinc/91/67/40/1094916740.db2.gz AIIHRYLZNLSGOG-UHFFFAOYSA-N 1 0 316.239 3.402 20 10 DGCDRO C[N@@H+](Cc1ccc(Br)cc1O)CC1CCOCC1 ZINC000691781560 1094948314 /nfs/dbraw/zinc/94/83/14/1094948314.db2.gz VQWSDSLWMMELMF-UHFFFAOYSA-N 1 0 314.223 3.013 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)c(O)c1 ZINC001171027361 1095154454 /nfs/dbraw/zinc/15/44/54/1095154454.db2.gz SGGSSUMEFYDUAS-CYBMUJFWSA-N 1 0 303.789 3.398 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2OCCc3ccccc32)c1O ZINC001338249565 1095238520 /nfs/dbraw/zinc/23/85/20/1095238520.db2.gz AMJZPKHAEFFMCW-GOSISDBHSA-N 1 0 313.397 3.113 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154417 1095460358 /nfs/dbraw/zinc/46/03/58/1095460358.db2.gz LGDHGEYSGUPMTD-HNNXBMFYSA-N 1 0 315.244 3.275 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@]12CCC[NH2+]C2 ZINC001222197895 1095487621 /nfs/dbraw/zinc/48/76/21/1095487621.db2.gz PIBAVWHSKXDLOW-AWEZNQCLSA-N 1 0 301.217 3.027 20 10 DGCDRO CC(C)(C)c1cccc(CN2CCC[C@@]23CCC[NH2+]C3)c1O ZINC001222249953 1095511964 /nfs/dbraw/zinc/51/19/64/1095511964.db2.gz YHWKQXSJHODLMO-LJQANCHMSA-N 1 0 302.462 3.408 20 10 DGCDRO Oc1ccc(C(F)(F)F)cc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222252279 1095512602 /nfs/dbraw/zinc/51/26/02/1095512602.db2.gz BXJPZHWNPHWMEM-OAHLLOKOSA-N 1 0 314.351 3.129 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCC(C)(C)C3)cc2F)CC1 ZINC001116440409 1095550741 /nfs/dbraw/zinc/55/07/41/1095550741.db2.gz SSLUUTVZGIVFGN-INIZCTEOSA-N 1 0 319.468 3.246 20 10 DGCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116442019 1095554567 /nfs/dbraw/zinc/55/45/67/1095554567.db2.gz CULNKVUPXFZAOL-GOSISDBHSA-N 1 0 324.472 3.400 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222360460 1095574387 /nfs/dbraw/zinc/57/43/87/1095574387.db2.gz PTLITXJSCTURAI-OAHLLOKOSA-N 1 0 315.244 3.417 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@]3(C2)CCCC[NH2+]3)c(Cl)c1 ZINC001222426456 1095607884 /nfs/dbraw/zinc/60/78/84/1095607884.db2.gz CTURZGJELYIWGD-KRWDZBQOSA-N 1 0 307.869 3.124 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001144508835 1095698155 /nfs/dbraw/zinc/69/81/55/1095698155.db2.gz AARSSUOOCCYULK-HNNXBMFYSA-N 1 0 313.397 3.258 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCc3c(Cl)cccc3C2)c(O)c1 ZINC001144514947 1095700159 /nfs/dbraw/zinc/70/01/59/1095700159.db2.gz YMXZNWCNDVDVCN-UHFFFAOYSA-N 1 0 305.761 3.015 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001276837895 1095751923 /nfs/dbraw/zinc/75/19/23/1095751923.db2.gz RVCIZTYBYWHJNE-UHFFFAOYSA-N 1 0 324.827 3.387 20 10 DGCDRO Oc1cccc(F)c1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001137834941 1095756692 /nfs/dbraw/zinc/75/66/92/1095756692.db2.gz ZZGZVKBSKFQSLQ-UHFFFAOYSA-N 1 0 318.436 3.372 20 10 DGCDRO COC(=O)[C@@H]1CCCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001137854140 1095767432 /nfs/dbraw/zinc/76/74/32/1095767432.db2.gz JTFCNPQSJCQNFO-SFHVURJKSA-N 1 0 312.413 3.232 20 10 DGCDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001117720975 1095815775 /nfs/dbraw/zinc/81/57/75/1095815775.db2.gz IIFPPHMNXYCZBK-UONOGXRCSA-N 1 0 300.805 3.147 20 10 DGCDRO C[N@H+](Cc1cccc2c1OC(F)(F)O2)Cc1ccccc1O ZINC001138069554 1095863373 /nfs/dbraw/zinc/86/33/73/1095863373.db2.gz KSXLXOYGKLXWSE-UHFFFAOYSA-N 1 0 307.296 3.346 20 10 DGCDRO Cc1ccc(C2(O)CC[NH+](Cc3cccc(F)c3[O-])CC2)cc1 ZINC001138122482 1095897079 /nfs/dbraw/zinc/89/70/79/1095897079.db2.gz IGUVZCDROQHKSP-UHFFFAOYSA-N 1 0 315.388 3.323 20 10 DGCDRO CC(C)OCCCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118804354 1096080755 /nfs/dbraw/zinc/08/07/55/1096080755.db2.gz HVSVPEJIFTZGBQ-UHFFFAOYSA-N 1 0 300.393 3.326 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC001118805951 1096080948 /nfs/dbraw/zinc/08/09/48/1096080948.db2.gz MDVFDRMNHYTYRK-HXUWFJFHSA-N 1 0 313.489 3.393 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C2CC2)C2CCOCC2)c1O ZINC001119512187 1096217013 /nfs/dbraw/zinc/21/70/13/1096217013.db2.gz MXCFQDAXZGMAGZ-QGZVFWFLSA-N 1 0 305.418 3.004 20 10 DGCDRO COc1ccc(N2CCC[C@]3(CCC[N@H+](C)C3)C2)c(OC)c1 ZINC001276995051 1096279819 /nfs/dbraw/zinc/27/98/19/1096279819.db2.gz WJPDIRLEUMZEOH-SFHVURJKSA-N 1 0 304.434 3.016 20 10 DGCDRO Cc1ccc(CC[C@@H](C)[NH2+]CC(=O)c2ccc(O)c(O)c2)cc1 ZINC001171662476 1096941955 /nfs/dbraw/zinc/94/19/55/1096941955.db2.gz ALNZJSWVXOCSHP-CQSZACIVSA-N 1 0 313.397 3.200 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCOC2CCCCC2)cc1 ZINC001171728697 1096957182 /nfs/dbraw/zinc/95/71/82/1096957182.db2.gz AVFJISVKHDRJCZ-UHFFFAOYSA-N 1 0 320.477 3.413 20 10 DGCDRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC001171915095 1097000960 /nfs/dbraw/zinc/00/09/60/1097000960.db2.gz GNHCNNAKSMQABB-UHFFFAOYSA-N 1 0 321.417 3.088 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H](C)CCOCC(C)C)CC2)cc1 ZINC001172468884 1097145266 /nfs/dbraw/zinc/14/52/66/1097145266.db2.gz PQEHVTSTTVTCFR-QGZVFWFLSA-N 1 0 320.477 3.268 20 10 DGCDRO CC(C)COCC[C@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172484850 1097152510 /nfs/dbraw/zinc/15/25/10/1097152510.db2.gz RXXGILFHHOCDPM-AWEZNQCLSA-N 1 0 307.434 3.297 20 10 DGCDRO Oc1cccc2c1C[N@@H+](C1CCC3(CCOCC3)CC1)CC2 ZINC001173051073 1097313795 /nfs/dbraw/zinc/31/37/95/1097313795.db2.gz IJCNLWKUNLQYQL-UHFFFAOYSA-N 1 0 301.430 3.490 20 10 DGCDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1O ZINC001173231327 1097377632 /nfs/dbraw/zinc/37/76/32/1097377632.db2.gz BFXJVLYAUTVDFE-CYBMUJFWSA-N 1 0 300.358 3.363 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H](C)CSCC)CC2)cc1 ZINC001173315634 1097427833 /nfs/dbraw/zinc/42/78/33/1097427833.db2.gz RLGGZMYKRDPAMX-HNNXBMFYSA-N 1 0 308.491 3.349 20 10 DGCDRO COC(=O)CCCC[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001173437879 1097438488 /nfs/dbraw/zinc/43/84/88/1097438488.db2.gz SQJHVESDLJOPRZ-MRXNPFEDSA-N 1 0 318.461 3.498 20 10 DGCDRO CCOC(=O)C[C@H]1CC[C@@H]([N@H+](CC)Cc2ccccc2O)C1 ZINC001173658898 1097484052 /nfs/dbraw/zinc/48/40/52/1097484052.db2.gz SFXSOFWUWBDRQN-GOEBONIOSA-N 1 0 305.418 3.336 20 10 DGCDRO Cc1cccc(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)c1O ZINC001231593968 1097787059 /nfs/dbraw/zinc/78/70/59/1097787059.db2.gz QGBANZBVVBLMGR-UHFFFAOYSA-N 1 0 320.433 3.047 20 10 DGCDRO Cc1cccc(CN2CC[NH+](C3CCC(C)CC3)CC2)c1O ZINC001231593485 1097787068 /nfs/dbraw/zinc/78/70/68/1097787068.db2.gz QMCBZRROBFEAEA-UHFFFAOYSA-N 1 0 302.462 3.397 20 10 DGCDRO Cc1cccc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)c1O ZINC001231593456 1097787613 /nfs/dbraw/zinc/78/76/13/1097787613.db2.gz ZMIAJPDKBSBOJK-UHFFFAOYSA-N 1 0 323.392 3.362 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC001231595481 1097787975 /nfs/dbraw/zinc/78/79/75/1097787975.db2.gz WLQKLGYBJLQVGC-LSDHHAIUSA-N 1 0 305.418 3.112 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cccc(C)c2O)C[C@H]1C ZINC001231595480 1097788692 /nfs/dbraw/zinc/78/86/92/1097788692.db2.gz WLQKLGYBJLQVGC-HUUCEWRRSA-N 1 0 305.418 3.112 20 10 DGCDRO COc1ccc([C@H](C)[N@H+](C)Cc2cc(OC)c(O)cc2O)cc1 ZINC001231637371 1097797910 /nfs/dbraw/zinc/79/79/10/1097797910.db2.gz LAPMDACCMXQLBY-LBPRGKRZSA-N 1 0 317.385 3.308 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001231841651 1097861134 /nfs/dbraw/zinc/86/11/34/1097861134.db2.gz CRNWWTAXTOXIEB-SWLSCSKDSA-N 1 0 317.351 3.144 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c(O)c1 ZINC001231844155 1097862018 /nfs/dbraw/zinc/86/20/18/1097862018.db2.gz FSWYSQRKWVEGHM-FQEVSTJZSA-N 1 0 322.408 3.105 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001231849548 1097863304 /nfs/dbraw/zinc/86/33/04/1097863304.db2.gz VTUZGMPDCXAWDB-GOSISDBHSA-N 1 0 311.429 3.493 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)C[C@@H]1C ZINC001231848360 1097863900 /nfs/dbraw/zinc/86/39/00/1097863900.db2.gz GVWYVVFINMHXSR-HOTGVXAUSA-N 1 0 319.445 3.420 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001231853841 1097864938 /nfs/dbraw/zinc/86/49/38/1097864938.db2.gz RQYONKGNZNZHKA-GFCCVEGCSA-N 1 0 302.340 3.145 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001231853765 1097865516 /nfs/dbraw/zinc/86/55/16/1097865516.db2.gz QHLSMVLOXYYVLL-OAHLLOKOSA-N 1 0 311.429 3.146 20 10 DGCDRO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc2ccccc2c1O ZINC001231879477 1097877393 /nfs/dbraw/zinc/87/73/93/1097877393.db2.gz DSUMDBUOQDBJAU-BEFAXECRSA-N 1 0 311.381 3.073 20 10 DGCDRO CN(Cc1c(Cl)n(C)nc1C(F)F)Cc1ccccc1O ZINC001232055680 1097927406 /nfs/dbraw/zinc/92/74/06/1097927406.db2.gz FVCVOWQMFKTGTR-UHFFFAOYSA-N 1 0 315.751 3.349 20 10 DGCDRO Clc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)ccc1N1CCOCC1 ZINC001232198641 1097963295 /nfs/dbraw/zinc/96/32/95/1097963295.db2.gz ZEGAYLUMWPGLTQ-HOTGVXAUSA-N 1 0 320.864 3.409 20 10 DGCDRO Oc1cc(O)c(CN2CCC([NH+]3CCCCC3)CC2)cc1Cl ZINC001232258733 1097985480 /nfs/dbraw/zinc/98/54/80/1097985480.db2.gz MPZQWXXMGVSWKM-UHFFFAOYSA-N 1 0 324.852 3.202 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1Cl ZINC001232264765 1097986531 /nfs/dbraw/zinc/98/65/31/1097986531.db2.gz MCRLGBZJASOPMU-ZDUSSCGKSA-N 1 0 318.804 3.439 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1Cl ZINC001232267126 1097987065 /nfs/dbraw/zinc/98/70/65/1097987065.db2.gz XJEBOQLFRMDNSO-INIZCTEOSA-N 1 0 311.809 3.057 20 10 DGCDRO COc1cc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC001232265338 1097987167 /nfs/dbraw/zinc/98/71/67/1097987167.db2.gz UNMJRGIYXBBLNE-AWEZNQCLSA-N 1 0 324.852 3.114 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(SC)CC2)cc1Cl ZINC001232269775 1097988025 /nfs/dbraw/zinc/98/80/25/1097988025.db2.gz KMHJGPULCKHSQM-UHFFFAOYSA-N 1 0 301.839 3.382 20 10 DGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c(O)c1 ZINC001206245552 1098008441 /nfs/dbraw/zinc/00/84/41/1098008441.db2.gz WHZGDMWPPQFUIN-HNNXBMFYSA-N 1 0 316.367 3.155 20 10 DGCDRO COC(=O)c1c(C[N@H+](C)C[C@@H]2CC2(C)C)c2ccccc2n1C ZINC001232406532 1098029993 /nfs/dbraw/zinc/02/99/93/1098029993.db2.gz XNBQMJDZKJGRRH-ZDUSSCGKSA-N 1 0 314.429 3.443 20 10 DGCDRO Oc1cccc(CN2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001232789262 1098136855 /nfs/dbraw/zinc/13/68/55/1098136855.db2.gz ZQFWIGHWRCGLHI-UHFFFAOYSA-N 1 0 319.788 3.405 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCOC3(C)C)CC2)c(O)c1 ZINC001232841443 1098150035 /nfs/dbraw/zinc/15/00/35/1098150035.db2.gz GPQBTLVBZWBHLW-UHFFFAOYSA-N 1 0 318.461 3.239 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2O)cc1 ZINC001232840773 1098150342 /nfs/dbraw/zinc/15/03/42/1098150342.db2.gz IOZQFTWNTRFGPA-UHFFFAOYSA-N 1 0 313.445 3.156 20 10 DGCDRO [O-]c1c(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)ccc(F)c1F ZINC001233078894 1098220536 /nfs/dbraw/zinc/22/05/36/1098220536.db2.gz NHAGSWRRPHUENU-OAHLLOKOSA-N 1 0 311.372 3.452 20 10 DGCDRO Cc1cc(Br)cc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1O ZINC001233109464 1098228835 /nfs/dbraw/zinc/22/88/35/1098228835.db2.gz XYYINLAMUYRETQ-BETUJISGSA-N 1 0 324.218 3.159 20 10 DGCDRO CCOC(=O)c1c(C[NH+]2CCC(F)CC2)c2ccccc2n1C ZINC001233270697 1098269727 /nfs/dbraw/zinc/26/97/27/1098269727.db2.gz WYTNQTPEJGUELZ-UHFFFAOYSA-N 1 0 318.392 3.289 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284493 1098274516 /nfs/dbraw/zinc/27/45/16/1098274516.db2.gz XFRCIAIJXCAQEN-GOSISDBHSA-N 1 0 305.418 3.217 20 10 DGCDRO CC[N@H+](CCn1cccn1)Cc1cc(C(C)(C)C)ccc1O ZINC001233286044 1098274920 /nfs/dbraw/zinc/27/49/20/1098274920.db2.gz CFUNIVOAEHMVLE-UHFFFAOYSA-N 1 0 301.434 3.408 20 10 DGCDRO CC(C)C[NH+]1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233285223 1098275157 /nfs/dbraw/zinc/27/51/57/1098275157.db2.gz XXIQESBDAMNUNE-UHFFFAOYSA-N 1 0 304.478 3.463 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c1 ZINC001233286772 1098275749 /nfs/dbraw/zinc/27/57/49/1098275749.db2.gz IOBBOKGOSUDZHO-IBGZPJMESA-N 1 0 317.429 3.361 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC(n3cnnc3)CC2)c1 ZINC001233286722 1098276104 /nfs/dbraw/zinc/27/61/04/1098276104.db2.gz GQFXPBGFUJRVDW-UHFFFAOYSA-N 1 0 314.433 3.118 20 10 DGCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286407 1098276291 /nfs/dbraw/zinc/27/62/91/1098276291.db2.gz SOSUANAMKXMXLE-CYBMUJFWSA-N 1 0 305.418 3.075 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCN3CCCC[C@@H]3C2)c1 ZINC001233286387 1098276703 /nfs/dbraw/zinc/27/67/03/1098276703.db2.gz RMMLIYGAXHFKAU-QGZVFWFLSA-N 1 0 302.462 3.360 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c1O ZINC001233287828 1098277278 /nfs/dbraw/zinc/27/72/78/1098277278.db2.gz JCQDULHTRRYGST-BDJLRTHQSA-N 1 0 313.825 3.037 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c1O ZINC001233287674 1098277722 /nfs/dbraw/zinc/27/77/22/1098277722.db2.gz CASBEPOUECGWID-BDJLRTHQSA-N 1 0 313.825 3.037 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC1=O ZINC001233452516 1098337443 /nfs/dbraw/zinc/33/74/43/1098337443.db2.gz ZLFPRKRPKICIHB-JTQLQIEISA-N 1 0 301.308 3.212 20 10 DGCDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)CC1CCOCC1 ZINC001233452495 1098338749 /nfs/dbraw/zinc/33/87/49/1098338749.db2.gz YNTZUWRMFFEGJP-UHFFFAOYSA-N 1 0 303.324 3.269 20 10 DGCDRO OC[C@]1(F)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452232 1098338918 /nfs/dbraw/zinc/33/89/18/1098338918.db2.gz OMEAIVGQPJLMQZ-AWEZNQCLSA-N 1 0 321.314 3.098 20 10 DGCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454501 1098339961 /nfs/dbraw/zinc/33/99/61/1098339961.db2.gz WWTMRXMGMQVEHG-ZDUSSCGKSA-N 1 0 303.324 3.412 20 10 DGCDRO CO[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454842 1098341084 /nfs/dbraw/zinc/34/10/84/1098341084.db2.gz LZZZGKZMURDCJT-ZDUSSCGKSA-N 1 0 303.324 3.412 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)[C@H](C)C1 ZINC001233456380 1098342002 /nfs/dbraw/zinc/34/20/02/1098342002.db2.gz URMPNWJSRXQRKI-ZWNOBZJWSA-N 1 0 303.324 3.410 20 10 DGCDRO Oc1cc(O)c(CN2CCC[C@H]2c2cc(F)ccc2F)cc1O ZINC001233485003 1098345798 /nfs/dbraw/zinc/34/57/98/1098345798.db2.gz FONVQWCSHGKRGI-AWEZNQCLSA-N 1 0 321.323 3.419 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1O ZINC001233483049 1098346418 /nfs/dbraw/zinc/34/64/18/1098346418.db2.gz MDXGDXFJAUKIRA-AWEZNQCLSA-N 1 0 303.333 3.280 20 10 DGCDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)c1 ZINC001233486701 1098346918 /nfs/dbraw/zinc/34/69/18/1098346918.db2.gz YKTRDQRTRUNDBS-HNNXBMFYSA-N 1 0 315.369 3.149 20 10 DGCDRO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233486451 1098347021 /nfs/dbraw/zinc/34/70/21/1098347021.db2.gz NPJJQQJHLRLVJA-LLVKDONJSA-N 1 0 303.358 3.005 20 10 DGCDRO C[N@H+](CCc1cccc(Cl)c1)Cc1cc(O)c(O)cc1O ZINC001233485884 1098347465 /nfs/dbraw/zinc/34/74/65/1098347465.db2.gz OOSFAKCZEPEYEZ-UHFFFAOYSA-N 1 0 307.777 3.131 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCCC1=O ZINC001233726690 1098416999 /nfs/dbraw/zinc/41/69/99/1098416999.db2.gz GFRIOEVYRGJCGC-JTQLQIEISA-N 1 0 317.307 3.092 20 10 DGCDRO Oc1c(C[N@@H+]2CCc3ccncc3C2)cccc1OC(F)(F)F ZINC001233760185 1098424195 /nfs/dbraw/zinc/42/41/95/1098424195.db2.gz CSJDBTKZMSWWKT-UHFFFAOYSA-N 1 0 324.302 3.244 20 10 DGCDRO Oc1c(C[N@@H+]2CCc3ncccc3C2)cccc1OC(F)(F)F ZINC001233761024 1098424976 /nfs/dbraw/zinc/42/49/76/1098424976.db2.gz NYSSEXRJTGRUFG-UHFFFAOYSA-N 1 0 324.302 3.244 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cn1 ZINC001177222784 1098497761 /nfs/dbraw/zinc/49/77/61/1098497761.db2.gz PLJQIFPFDLKMLA-UHFFFAOYSA-N 1 0 310.445 3.038 20 10 DGCDRO C[N@H+](CCNCc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001177525402 1098544200 /nfs/dbraw/zinc/54/42/00/1098544200.db2.gz SMTDHTFHCVWERZ-UHFFFAOYSA-N 1 0 302.462 3.366 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CC=C(OC)CC3)cc2)CC1 ZINC001234660970 1098636443 /nfs/dbraw/zinc/63/64/43/1098636443.db2.gz NTIDMPFNQHTUED-IBGZPJMESA-N 1 0 316.445 3.290 20 10 DGCDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993764 1098736163 /nfs/dbraw/zinc/73/61/63/1098736163.db2.gz AILQATDEFVCZOC-INIZCTEOSA-N 1 0 311.381 3.054 20 10 DGCDRO CN1CC2(C1)CC[N@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234997484 1098738223 /nfs/dbraw/zinc/73/82/23/1098738223.db2.gz DCLSYLPENWZPSQ-UHFFFAOYSA-N 1 0 308.425 3.197 20 10 DGCDRO CC(=O)N1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)[C@@H](C)C1 ZINC001234999576 1098742334 /nfs/dbraw/zinc/74/23/34/1098742334.db2.gz WNDDBFCQQKTFEL-HNNXBMFYSA-N 1 0 324.424 3.112 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](O)Cc1ccccc1 ZINC001178249764 1098755099 /nfs/dbraw/zinc/75/50/99/1098755099.db2.gz USCWNQYTZZBDBW-BEFAXECRSA-N 1 0 311.425 3.093 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038584 1098766316 /nfs/dbraw/zinc/76/63/16/1098766316.db2.gz KDZRPYDZPZBCSF-MRXNPFEDSA-N 1 0 312.816 3.293 20 10 DGCDRO [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093866 1098796422 /nfs/dbraw/zinc/79/64/22/1098796422.db2.gz SAXZQJSSABAEQR-UHFFFAOYSA-N 1 0 315.244 3.275 20 10 DGCDRO C[N@@H+]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001178696994 1098913357 /nfs/dbraw/zinc/91/33/57/1098913357.db2.gz RHMHOIPDQPWUIP-LJQANCHMSA-N 1 0 323.440 3.286 20 10 DGCDRO CN(C)c1ccc(/C=C/CNCC[N@@H+]2CCCC2(C)C)cc1 ZINC001178933786 1098965651 /nfs/dbraw/zinc/96/56/51/1098965651.db2.gz FEOMUGARPPKSIP-FNORWQNLSA-N 1 0 301.478 3.230 20 10 DGCDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179030037 1099004808 /nfs/dbraw/zinc/00/48/08/1099004808.db2.gz XLUDTDZSMQQWFC-KRWDZBQOSA-N 1 0 312.413 3.036 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c(Cl)c1 ZINC001179034986 1099007075 /nfs/dbraw/zinc/00/70/75/1099007075.db2.gz VMHIQWMIFJWJGC-LLVKDONJSA-N 1 0 313.825 3.421 20 10 DGCDRO COc1cc(CC[NH2+]Cc2c(O)cc(C)cc2Cl)ccn1 ZINC001179320683 1099069922 /nfs/dbraw/zinc/06/99/22/1099069922.db2.gz JZASZVWPDMYGGT-UHFFFAOYSA-N 1 0 306.793 3.090 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1-n1cncn1 ZINC001179489342 1099115082 /nfs/dbraw/zinc/11/50/82/1099115082.db2.gz KDUKQFYWTIOMPR-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO CN1CCC[C@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]21 ZINC001235678091 1099121712 /nfs/dbraw/zinc/12/17/12/1099121712.db2.gz ADYPRGVBONWUPI-YOEHRIQHSA-N 1 0 302.462 3.216 20 10 DGCDRO CC(C)(C)c1ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)c(O)c1 ZINC001235685194 1099126642 /nfs/dbraw/zinc/12/66/42/1099126642.db2.gz MSGWHIYCYLQMPM-UHFFFAOYSA-N 1 0 317.429 3.361 20 10 DGCDRO CC[NH2+]C1CCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001235725419 1099147810 /nfs/dbraw/zinc/14/78/10/1099147810.db2.gz GVOPGANKAXYQKA-UHFFFAOYSA-N 1 0 303.233 3.273 20 10 DGCDRO CC[NH2+]C1CCN(Cc2ccc(N(CC)CC)cc2OC)CC1 ZINC001235726949 1099149463 /nfs/dbraw/zinc/14/94/63/1099149463.db2.gz SENUAKBKXGINJR-UHFFFAOYSA-N 1 0 319.493 3.115 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)cc1 ZINC001179627402 1099158349 /nfs/dbraw/zinc/15/83/49/1099158349.db2.gz ZDZOETDFHMRDBX-VQIMIIECSA-N 1 0 303.494 3.495 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235847995 1099208237 /nfs/dbraw/zinc/20/82/37/1099208237.db2.gz PIWQQAPNQZQPJY-QGZVFWFLSA-N 1 0 316.832 3.062 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCNC[C@H]2Cc2ccccc2)c(O)c1 ZINC001235849056 1099209531 /nfs/dbraw/zinc/20/95/31/1099209531.db2.gz HHBDXCCEESJNBB-GOSISDBHSA-N 1 0 310.441 3.026 20 10 DGCDRO Oc1cc(Cl)c(F)cc1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235863525 1099225228 /nfs/dbraw/zinc/22/52/28/1099225228.db2.gz DXJMPJISEADNGE-INIZCTEOSA-N 1 0 320.795 3.331 20 10 DGCDRO COC(=O)c1cccc(C2CC[NH+](Cc3ccc(N)cc3)CC2)c1 ZINC001236073135 1099371236 /nfs/dbraw/zinc/37/12/36/1099371236.db2.gz LGOWIJHCUZTTAE-UHFFFAOYSA-N 1 0 324.424 3.435 20 10 DGCDRO Nc1ccc(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)cc1 ZINC001236093649 1099382323 /nfs/dbraw/zinc/38/23/23/1099382323.db2.gz VUWDRIVBESVLDL-NRFANRHFSA-N 1 0 321.468 3.464 20 10 DGCDRO Cc1cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)n1-c1ccccc1 ZINC001236094577 1099385652 /nfs/dbraw/zinc/38/56/52/1099385652.db2.gz FBQPYIARYNXUCY-KDURUIRLSA-N 1 0 309.457 3.420 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC001180429509 1099403015 /nfs/dbraw/zinc/40/30/15/1099403015.db2.gz BPTLFYBNIGRISO-MSOLQXFVSA-N 1 0 304.478 3.290 20 10 DGCDRO 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ZINC001236775496 1099778699 /nfs/dbraw/zinc/77/86/99/1099778699.db2.gz MWWFDTLVXRGHOB-UHFFFAOYSA-N 1 0 300.196 3.235 20 10 DGCDRO CCc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(O)c1 ZINC001236783726 1099781346 /nfs/dbraw/zinc/78/13/46/1099781346.db2.gz OOONVYQMRJPZRM-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO CCc1ccc(CN2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC001236782560 1099781631 /nfs/dbraw/zinc/78/16/31/1099781631.db2.gz COQWAMWHTCMWJU-UHFFFAOYSA-N 1 0 302.462 3.405 20 10 DGCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(CC)cc2O)C1 ZINC001236786292 1099782680 /nfs/dbraw/zinc/78/26/80/1099782680.db2.gz AEKCZRGDVCNNHJ-MRXNPFEDSA-N 1 0 305.418 3.120 20 10 DGCDRO CCc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c(O)c1 ZINC001236784072 1099782889 /nfs/dbraw/zinc/78/28/89/1099782889.db2.gz RYQJLCRDHUCMEK-IAQYHMDHSA-N 1 0 317.351 3.090 20 10 DGCDRO CCc1ccc(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c(O)c1 ZINC001236786980 1099783207 /nfs/dbraw/zinc/78/32/07/1099783207.db2.gz UBOWGAHTCVEZMU-UHFFFAOYSA-N 1 0 311.372 3.345 20 10 DGCDRO CCc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c(O)c1 ZINC001236787326 1099785277 /nfs/dbraw/zinc/78/52/77/1099785277.db2.gz KZEQFDHHOPGEBN-FQEVSTJZSA-N 1 0 322.408 3.050 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC(n3ccnc3)CC2)c(Cl)c1 ZINC001236804100 1099797345 /nfs/dbraw/zinc/79/73/45/1099797345.db2.gz SEPUSQFNSBSSLN-UHFFFAOYSA-N 1 0 321.808 3.088 20 10 DGCDRO COc1cc(O)c(C[N@H+](CCO)Cc2ccccc2)c(Cl)c1 ZINC001236805174 1099797768 /nfs/dbraw/zinc/79/77/68/1099797768.db2.gz WFOQGPIAUPAJLK-UHFFFAOYSA-N 1 0 321.804 3.049 20 10 DGCDRO COc1cc(O)c(C[N@H+](C(C)C)C2CCOCC2)c(Cl)c1 ZINC001236806151 1099798640 /nfs/dbraw/zinc/79/86/40/1099798640.db2.gz NWVJVRJSZZLNEX-UHFFFAOYSA-N 1 0 313.825 3.444 20 10 DGCDRO COc1ccc2c(c1)C[N@@H+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001236808071 1099800728 /nfs/dbraw/zinc/80/07/28/1099800728.db2.gz LOAZHHDEXKCQHF-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236813797 1099802322 /nfs/dbraw/zinc/80/23/22/1099802322.db2.gz 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C[NH+](C)[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237080360 1099958509 /nfs/dbraw/zinc/95/85/09/1099958509.db2.gz ATXBXKVGEOWTLK-SNVBAGLBSA-N 1 0 303.233 3.225 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)[C@H](C)C1 ZINC001237126451 1099984753 /nfs/dbraw/zinc/98/47/53/1099984753.db2.gz YFSITRYJOCMLNV-MNOVXSKESA-N 1 0 319.323 3.290 20 10 DGCDRO Oc1ccc(F)c(Cl)c1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001237130496 1099986722 /nfs/dbraw/zinc/98/67/22/1099986722.db2.gz MZMRSVNVVCHFAZ-SNVBAGLBSA-N 1 0 317.763 3.278 20 10 DGCDRO CN(Cc1cscn1)Cc1cc(C(F)(F)F)ccc1O ZINC001237140375 1099990678 /nfs/dbraw/zinc/99/06/78/1099990678.db2.gz KNJKTVOJNVHGRR-UHFFFAOYSA-N 1 0 302.321 3.500 20 10 DGCDRO CCCN(CC(=O)OCC)Cc1cc(C(F)(F)F)ccc1O ZINC001237146073 1099995589 /nfs/dbraw/zinc/99/55/89/1099995589.db2.gz QGHOAKVJFKAYNY-UHFFFAOYSA-N 1 0 319.323 3.186 20 10 DGCDRO Cc1cc(Cl)cc(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)c1O ZINC001237161361 1100008730 /nfs/dbraw/zinc/00/87/30/1100008730.db2.gz OMNJRCWIEWMVNU-MRXNPFEDSA-N 1 0 308.853 3.461 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001237483787 1100139520 /nfs/dbraw/zinc/13/95/20/1100139520.db2.gz UJHXZQUEQYRQJP-AWEZNQCLSA-N 1 0 320.433 3.190 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2cc(Cl)ccn2)CC1 ZINC001237488353 1100142082 /nfs/dbraw/zinc/14/20/82/1100142082.db2.gz UBXLRBMEDRXAOU-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO Cc1cccc(N2CCC[N@H+](Cc3c(C)cccc3O)CC2)n1 ZINC001237492040 1100143412 /nfs/dbraw/zinc/14/34/12/1100143412.db2.gz NWSWKWUTLPSXSV-UHFFFAOYSA-N 1 0 311.429 3.116 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C[C@H]1C ZINC001237494443 1100145777 /nfs/dbraw/zinc/14/57/77/1100145777.db2.gz IVUCOADPOABYAA-CABCVRRESA-N 1 0 305.418 3.112 20 10 DGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001237622471 1100192109 /nfs/dbraw/zinc/19/21/09/1100192109.db2.gz SEBPQUQWHBUMJS-GFCCVEGCSA-N 1 0 313.800 3.433 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCC2(COC2)C1 ZINC001237641678 1100199174 /nfs/dbraw/zinc/19/91/74/1100199174.db2.gz VITZDAVVHMTSKK-UHFFFAOYSA-N 1 0 313.372 3.421 20 10 DGCDRO COC[C@H]1CC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237649970 1100203317 /nfs/dbraw/zinc/20/33/17/1100203317.db2.gz ORTVUWBMAZBKGS-QGZVFWFLSA-N 1 0 301.361 3.419 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(O)c(OC)c1 ZINC001237676220 1100210700 /nfs/dbraw/zinc/21/07/00/1100210700.db2.gz LBRNRCNTGGXCLF-INIZCTEOSA-N 1 0 314.385 3.142 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c1O ZINC001237681061 1100211586 /nfs/dbraw/zinc/21/15/86/1100211586.db2.gz KUHAHHVUTMOGEU-AWEZNQCLSA-N 1 0 309.837 3.339 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237676444 1100212976 /nfs/dbraw/zinc/21/29/76/1100212976.db2.gz OHYNEZBVYKWFAT-LLVKDONJSA-N 1 0 319.323 3.184 20 10 DGCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c1O ZINC001237685183 1100214416 /nfs/dbraw/zinc/21/44/16/1100214416.db2.gz FHOCJOCNMRFWFA-AWEZNQCLSA-N 1 0 313.800 3.447 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c1O ZINC001237688116 1100215375 /nfs/dbraw/zinc/21/53/75/1100215375.db2.gz FSXUMGDRLSGKTM-CQSZACIVSA-N 1 0 311.809 3.081 20 10 DGCDRO Cc1cc(F)cc(CN2CC[NH+](CC3CCCC3)CC2)c1O ZINC001238062474 1100345928 /nfs/dbraw/zinc/34/59/28/1100345928.db2.gz QIZYYHRXCMVVFP-UHFFFAOYSA-N 1 0 306.425 3.148 20 10 DGCDRO CCOC(=O)C1(C)CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238062973 1100347078 /nfs/dbraw/zinc/34/70/78/1100347078.db2.gz VCNOFIKCBFSHAS-UHFFFAOYSA-N 1 0 309.381 3.005 20 10 DGCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)nc1 ZINC001238067253 1100349182 /nfs/dbraw/zinc/34/91/82/1100349182.db2.gz MNWZZKZFLYDSKY-INIZCTEOSA-N 1 0 316.376 3.196 20 10 DGCDRO CCc1nnc(C2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)o1 ZINC001238071134 1100350864 /nfs/dbraw/zinc/35/08/64/1100350864.db2.gz SRXNEXZCXKERQZ-UHFFFAOYSA-N 1 0 319.380 3.165 20 10 DGCDRO CCN(c1ccccc1)c1cc(-c2cncc(C[NH3+])c2)ncn1 ZINC001239790605 1100756333 /nfs/dbraw/zinc/75/63/33/1100756333.db2.gz NZCYIYARHZSIOR-UHFFFAOYSA-N 1 0 305.385 3.155 20 10 DGCDRO Oc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1O ZINC001203878134 1101573265 /nfs/dbraw/zinc/57/32/65/1101573265.db2.gz BXXJXMJQHRXQJK-UHFFFAOYSA-N 1 0 313.397 3.279 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC)C2)cc1 ZINC001203942372 1102214549 /nfs/dbraw/zinc/21/45/49/1102214549.db2.gz MXYKQHATWAPQBL-NVXWUHKLSA-N 1 0 318.461 3.164 20 10 DGCDRO Cc1nc(CNCc2cc(F)cc(F)c2[O-])nc2ccccc12 ZINC001199991489 1102266373 /nfs/dbraw/zinc/26/63/73/1102266373.db2.gz YIMICSFPCORVMW-UHFFFAOYSA-N 1 0 315.323 3.212 20 10 DGCDRO CO[C@H](C)C[N@H+](Cc1ccc(Br)cc1O)C(C)C ZINC000688105039 1103201259 /nfs/dbraw/zinc/20/12/59/1103201259.db2.gz KASOIAMVYOGRPT-LLVKDONJSA-N 1 0 316.239 3.400 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CCC1 ZINC001326305214 1103264073 /nfs/dbraw/zinc/26/40/73/1103264073.db2.gz JNNNJXDCTGQALG-KBPBESRZSA-N 1 0 316.445 3.145 20 10 DGCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H]1c1ccccc1 ZINC001326517589 1103352893 /nfs/dbraw/zinc/35/28/93/1103352893.db2.gz HFNOKPDLSNLELS-LEWJYISDSA-N 1 0 321.468 3.214 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC001327882524 1103754270 /nfs/dbraw/zinc/75/42/70/1103754270.db2.gz ZDBCVTHWSVGHJL-QXGSTGNESA-N 1 0 300.446 3.300 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1F ZINC001328701049 1104026025 /nfs/dbraw/zinc/02/60/25/1104026025.db2.gz AIVPOYDQMPYZBW-CXAGYDPISA-N 1 0 310.388 3.078 20 10 DGCDRO c1[nH+]cn2cc(-c3cc(N4CCc5ccccc54)ncn3)ccc12 ZINC001245897581 1104295299 /nfs/dbraw/zinc/29/52/99/1104295299.db2.gz BBUMOLSQXBOZRK-UHFFFAOYSA-N 1 0 313.364 3.486 20 10 DGCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2c(C)cccc2O)C1=O ZINC001274299963 1104346514 /nfs/dbraw/zinc/34/65/14/1104346514.db2.gz FVYUWAMULGGRBO-DNVCBOLYSA-N 1 0 316.445 3.066 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C(C)(C)C2CCOCC2)cc1F ZINC001329732067 1104371639 /nfs/dbraw/zinc/37/16/39/1104371639.db2.gz REANUANURXVFRQ-UHFFFAOYSA-N 1 0 312.404 3.326 20 10 DGCDRO c1ccc(C[C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CC[NH2+]2)cc1 ZINC001246199214 1104434267 /nfs/dbraw/zinc/43/42/67/1104434267.db2.gz KRYLOTLXBVNDDT-UXHICEINSA-N 1 0 322.452 3.074 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1F ZINC001330090962 1104477809 /nfs/dbraw/zinc/47/78/09/1104477809.db2.gz GHJWNWIUBAREEV-SJCJKPOMSA-N 1 0 310.388 3.032 20 10 DGCDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001330639635 1104601648 /nfs/dbraw/zinc/60/16/48/1104601648.db2.gz UMQLJYUGCMGKND-IBGZPJMESA-N 1 0 316.445 3.108 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C ZINC001330850315 1104661280 /nfs/dbraw/zinc/66/12/80/1104661280.db2.gz NQTGJJAYHVLVEQ-OAHLLOKOSA-N 1 0 321.484 3.349 20 10 DGCDRO C[NH+]1CC2(CN(C(=O)c3ccc(/N=N/c4ccccc4)cc3)C2)C1 ZINC001275320928 1104722411 /nfs/dbraw/zinc/72/24/11/1104722411.db2.gz ZXGVBTHILTYULW-QZQOTICOSA-N 1 0 320.396 3.490 20 10 DGCDRO Cc1cc(CN2CC3(CC[N@@H+]3C3CCCC3)C2)ccc1N(C)C ZINC001275360728 1104736632 /nfs/dbraw/zinc/73/66/32/1104736632.db2.gz IDARKDVTXRHRNG-UHFFFAOYSA-N 1 0 313.489 3.264 20 10 DGCDRO CC/C(C)=C\C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001275395756 1104746126 /nfs/dbraw/zinc/74/61/26/1104746126.db2.gz WVRMTNZZHQKILF-JYGGGOIPSA-N 1 0 318.461 3.343 20 10 DGCDRO CCn1c2ccc(F)cc2nc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001247035921 1104782137 /nfs/dbraw/zinc/78/21/37/1104782137.db2.gz GIDVJXRAJDEXGF-UHFFFAOYSA-N 1 0 324.403 3.272 20 10 DGCDRO Oc1ccc(F)cc1CN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275912631 1104952656 /nfs/dbraw/zinc/95/26/56/1104952656.db2.gz DLDVEAPWTHZFGH-UHFFFAOYSA-N 1 0 318.436 3.372 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]34C[C@@H]3C[NH2+]C4)n2)cc1 ZINC001247878848 1105005903 /nfs/dbraw/zinc/00/59/03/1105005903.db2.gz LCSQZEGZIBLSAD-DNVCBOLYSA-N 1 0 320.396 3.005 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3[C@@H]4C[NH2+]C[C@@H]43)n2)cc1 ZINC001247883966 1105006866 /nfs/dbraw/zinc/00/68/66/1105006866.db2.gz SKFJWLMLULWMPL-BJWYYQGGSA-N 1 0 320.396 3.077 20 10 DGCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N(C)C)cc1Cl ZINC001276155828 1105032865 /nfs/dbraw/zinc/03/28/65/1105032865.db2.gz KPBPHRYGXRQRIE-VHRNVKJDSA-N 1 0 307.869 3.121 20 10 DGCDRO Cn1ccc(-c2ccc(C[N@H+](C)Cc3ccccc3O)cc2)n1 ZINC001248766771 1105158025 /nfs/dbraw/zinc/15/80/25/1105158025.db2.gz FZSPTIPLANGQLY-UHFFFAOYSA-N 1 0 307.397 3.425 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2CCCC[C@H]2C(N)=O)cc1Cl ZINC001248884181 1105186522 /nfs/dbraw/zinc/18/65/22/1105186522.db2.gz YWAKFHPABAXMKC-AWEZNQCLSA-N 1 0 324.852 3.183 20 10 DGCDRO C[C@@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CC[N@@H+]1C ZINC001248884197 1105186767 /nfs/dbraw/zinc/18/67/67/1105186767.db2.gz ZMAYSPPIEYQMNJ-GFCCVEGCSA-N 1 0 310.869 3.479 20 10 DGCDRO CC(C)[NH+]1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249223653 1105249263 /nfs/dbraw/zinc/24/92/63/1105249263.db2.gz LLWOUALKSNXOJK-UHFFFAOYSA-N 1 0 316.445 3.102 20 10 DGCDRO C[C@@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@H](C)O1 ZINC001249224467 1105250567 /nfs/dbraw/zinc/25/05/67/1105250567.db2.gz ZSRCMHGJVBSOJR-BETUJISGSA-N 1 0 303.402 3.186 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@H]4OCC[C@H]4C3)ccc2O1 ZINC001249252008 1105256563 /nfs/dbraw/zinc/25/65/63/1105256563.db2.gz DXLIHRADUUAUKC-XJKSGUPXSA-N 1 0 315.413 3.187 20 10 DGCDRO CC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249251870 1105256794 /nfs/dbraw/zinc/25/67/94/1105256794.db2.gz AWQOAJLJMPVDRE-AWEZNQCLSA-N 1 0 315.413 3.377 20 10 DGCDRO CC[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252479 1105257392 /nfs/dbraw/zinc/25/73/92/1105257392.db2.gz LELWAAVBERQFHA-CQSZACIVSA-N 1 0 303.402 3.187 20 10 DGCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCO1 ZINC001249252534 1105257401 /nfs/dbraw/zinc/25/74/01/1105257401.db2.gz MTCYWTVNSOLSKL-KRWDZBQOSA-N 1 0 317.429 3.433 20 10 DGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCOC[C@@H]3C3CC3)ccc2O1 ZINC001249258075 1105258285 /nfs/dbraw/zinc/25/82/85/1105258285.db2.gz CHQLVLLDJLPPPK-MRXNPFEDSA-N 1 0 315.413 3.187 20 10 DGCDRO CCc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)cc1 ZINC001249338841 1105270589 /nfs/dbraw/zinc/27/05/89/1105270589.db2.gz FMBHFSJWRZWBDA-OAHLLOKOSA-N 1 0 309.369 3.247 20 10 DGCDRO Cc1ccc(F)c(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)c1 ZINC001249339140 1105270722 /nfs/dbraw/zinc/27/07/22/1105270722.db2.gz JYMWNUFZVSSYCJ-CQSZACIVSA-N 1 0 313.332 3.132 20 10 DGCDRO Cc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)c(C)c1 ZINC001249340084 1105271439 /nfs/dbraw/zinc/27/14/39/1105271439.db2.gz UKQOGUYPLSDGNZ-OAHLLOKOSA-N 1 0 309.369 3.302 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cnc1Cl ZINC001249931842 1105409319 /nfs/dbraw/zinc/40/93/19/1105409319.db2.gz ABNLPLYEEINNDS-UHFFFAOYSA-N 1 0 319.836 3.442 20 10 DGCDRO COc1cc(-c2nc3cc(F)ccc3[nH]2)cc(C[NH+](C)C)c1O ZINC001250766719 1105580179 /nfs/dbraw/zinc/58/01/79/1105580179.db2.gz IMNGWGOLFGQKDV-UHFFFAOYSA-N 1 0 315.348 3.145 20 10 DGCDRO CC[NH+]1CCN(c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC001250861180 1105595876 /nfs/dbraw/zinc/59/58/76/1105595876.db2.gz MJPUSTKHUHNRCG-UHFFFAOYSA-N 1 0 306.413 3.372 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CC[NH+](C(C)(C)C)CC2)c1 ZINC001251125924 1105630548 /nfs/dbraw/zinc/63/05/48/1105630548.db2.gz BRAGVYDOFUNMDV-UHFFFAOYSA-N 1 0 320.477 3.311 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(C)CCCC2)cc1C ZINC001491539345 1105841404 /nfs/dbraw/zinc/84/14/04/1105841404.db2.gz JADXUULXBSGGCI-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254607684 1106112574 /nfs/dbraw/zinc/11/25/74/1106112574.db2.gz LZQYFEFSVBDUJA-QGZVFWFLSA-N 1 0 312.369 3.290 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001255354277 1106230673 /nfs/dbraw/zinc/23/06/73/1106230673.db2.gz SEYTWSLKOBIMPK-CVEARBPZSA-N 1 0 305.418 3.215 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1CCC2(CC1)OCCO2 ZINC001255630195 1106280592 /nfs/dbraw/zinc/28/05/92/1106280592.db2.gz LTWUAZNBGVJCGJ-UHFFFAOYSA-N 1 0 318.461 3.260 20 10 DGCDRO c1ccn(-c2ccc(-c3nnc(CC[NH+]4CCCC4)o3)cc2)c1 ZINC001256957629 1106515384 /nfs/dbraw/zinc/51/53/84/1106515384.db2.gz YDBLKKZGLRRRJR-UHFFFAOYSA-N 1 0 308.385 3.166 20 10 DGCDRO C[N@@H+]1CCC[C@@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256961164 1106515963 /nfs/dbraw/zinc/51/59/63/1106515963.db2.gz LZDFPJRKWWNTFN-OAHLLOKOSA-N 1 0 308.385 3.337 20 10 DGCDRO COC(=O)CC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001256976931 1106519778 /nfs/dbraw/zinc/51/97/78/1106519778.db2.gz NGIIPJCBXCMKDU-UHFFFAOYSA-N 1 0 305.418 3.215 20 10 DGCDRO CCC[C@H](C)[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001257323362 1106568467 /nfs/dbraw/zinc/56/84/67/1106568467.db2.gz AMKHLIBVRPKJFB-INIZCTEOSA-N 1 0 306.450 3.022 20 10 DGCDRO Oc1cccc2c1C[N@@H+]([C@@H]1COc3ccc(Cl)cc3C1)CC2 ZINC001257967126 1106652623 /nfs/dbraw/zinc/65/26/23/1106652623.db2.gz RAUWDYYRTLBMBA-HNNXBMFYSA-N 1 0 315.800 3.407 20 10 DGCDRO CSCC[C@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001258205818 1106696658 /nfs/dbraw/zinc/69/66/58/1106696658.db2.gz ADEHZLLWVAGKFY-AWEZNQCLSA-N 1 0 308.491 3.088 20 10 DGCDRO CCC[C@@H](Cc1ccccc1)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258651798 1106880845 /nfs/dbraw/zinc/88/08/45/1106880845.db2.gz ZZEMKZLNVZDOBX-INIZCTEOSA-N 1 0 315.413 3.347 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCO[C@H]1CCOC1 ZINC001320247337 1106938843 /nfs/dbraw/zinc/93/88/43/1106938843.db2.gz QLKMGXGRZOPEJQ-QLFBSQMISA-N 1 0 305.418 3.034 20 10 DGCDRO CC(C)c1noc(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC001320253435 1106939320 /nfs/dbraw/zinc/93/93/20/1106939320.db2.gz WAJYLXOYYAKOMV-PWSUYJOCSA-N 1 0 319.380 3.418 20 10 DGCDRO C[C@H](Cc1cccc(Cl)c1)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258737592 1106942999 /nfs/dbraw/zinc/94/29/99/1106942999.db2.gz HCGRYQBPNUXYLH-LLVKDONJSA-N 1 0 321.804 3.220 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H](C)c3ccccn3)CC2)cc1 ZINC001320578763 1107060551 /nfs/dbraw/zinc/06/05/51/1107060551.db2.gz PWHXAWSBBDXQEQ-INIZCTEOSA-N 1 0 311.429 3.364 20 10 DGCDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001321023591 1107226183 /nfs/dbraw/zinc/22/61/83/1107226183.db2.gz NWSWPRDFKUGQHZ-SFHVURJKSA-N 1 0 304.434 3.108 20 10 DGCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001321386464 1107338946 /nfs/dbraw/zinc/33/89/46/1107338946.db2.gz DYJWLKSEKAMYDH-QAPCUYQASA-N 1 0 317.477 3.194 20 10 DGCDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001261183427 1107355390 /nfs/dbraw/zinc/35/53/90/1107355390.db2.gz PVKPGKCBJIWHMW-UHFFFAOYSA-N 1 0 312.461 3.314 20 10 DGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001324114469 1108181845 /nfs/dbraw/zinc/18/18/45/1108181845.db2.gz FHFIRGNMWOPTIO-KRWDZBQOSA-N 1 0 303.494 3.497 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC2CCC2)cc1C ZINC001319174575 1108348955 /nfs/dbraw/zinc/34/89/55/1108348955.db2.gz SNIQYEQNLITORJ-AWEZNQCLSA-N 1 0 318.461 3.036 20 10 DGCDRO CC/C=C(/C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319428287 1108460164 /nfs/dbraw/zinc/46/01/64/1108460164.db2.gz GZIFNQWCRQHUKN-VCHSTOLQSA-N 1 0 318.461 3.296 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC001325022427 1108559014 /nfs/dbraw/zinc/55/90/14/1108559014.db2.gz FDWVVIRQJVSIFL-UXHICEINSA-N 1 0 312.457 3.430 20 10 DGCDRO C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[N@@H+](C2CC2)C1 ZINC001325129282 1108580497 /nfs/dbraw/zinc/58/04/97/1108580497.db2.gz XJQRLMWMRFOTOA-QGZVFWFLSA-N 1 0 313.489 3.203 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCOc1ncccc1F ZINC001325357711 1108630888 /nfs/dbraw/zinc/63/08/88/1108630888.db2.gz WMHNUIKLDNEYDF-GXTWGEPZSA-N 1 0 316.376 3.452 20 10 DGCDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cc(Cl)ccc1O ZINC001325355584 1108631006 /nfs/dbraw/zinc/63/10/06/1108631006.db2.gz CWMBVLBAEFBAFV-STQMWFEESA-N 1 0 324.852 3.345 20 10 DGCDRO CC[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](C)C(C)C ZINC001319815695 1108647920 /nfs/dbraw/zinc/64/79/20/1108647920.db2.gz LSXXKPLWPSGUBH-INIZCTEOSA-N 1 0 321.484 3.444 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC001319847913 1108662578 /nfs/dbraw/zinc/66/25/78/1108662578.db2.gz QMFCHBNDVNULIK-MRXNPFEDSA-N 1 0 311.429 3.364 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC001319849242 1108662853 /nfs/dbraw/zinc/66/28/53/1108662853.db2.gz PRCPFQKJBCLYMK-HZPDHXFCSA-N 1 0 317.477 3.052 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC001319847912 1108662894 /nfs/dbraw/zinc/66/28/94/1108662894.db2.gz QMFCHBNDVNULIK-INIZCTEOSA-N 1 0 311.429 3.364 20 10 DGCDRO CC(C)[C@@H](O)C1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319953848 1108713028 /nfs/dbraw/zinc/71/30/28/1108713028.db2.gz LORXIRIHTSIOPZ-GOSISDBHSA-N 1 0 302.462 3.174 20 10 DGCDRO CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001283946800 1109704274 /nfs/dbraw/zinc/70/42/74/1109704274.db2.gz PYNYYPWINAXVAZ-RDJZCZTQSA-N 1 0 318.461 3.273 20 10 DGCDRO CCCC(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001284561669 1109812583 /nfs/dbraw/zinc/81/25/83/1109812583.db2.gz DEHQMXNCGJRXDQ-QGZVFWFLSA-N 1 0 320.477 3.424 20 10 DGCDRO O=c1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc[nH]1 ZINC001307567098 1111315586 /nfs/dbraw/zinc/31/55/86/1111315586.db2.gz OAAWPNFVRKLLDU-UHFFFAOYSA-N 1 0 310.353 3.288 20 10 DGCDRO CCCC[N@H+](CCN1C[C@@H](C)O[C@H](C)C1)Cc1ccccc1O ZINC001307722776 1111332085 /nfs/dbraw/zinc/33/20/85/1111332085.db2.gz ZPXBPTJHYNWYFM-IAGOWNOFSA-N 1 0 320.477 3.104 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCSC(F)(F)F)cc1 ZINC001307897266 1111353262 /nfs/dbraw/zinc/35/32/62/1111353262.db2.gz MAUNCYRHWAOLMJ-UHFFFAOYSA-N 1 0 322.396 3.316 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2scnc2C)ccc1OC ZINC001308256192 1111406256 /nfs/dbraw/zinc/40/62/56/1111406256.db2.gz GZZHCKVLFAZIJM-UHFFFAOYSA-N 1 0 306.431 3.286 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC001308280907 1111409819 /nfs/dbraw/zinc/40/98/19/1111409819.db2.gz AJGHTVVXQPFCBF-KURKYZTESA-N 1 0 302.462 3.436 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC001308280908 1111409897 /nfs/dbraw/zinc/40/98/97/1111409897.db2.gz AJGHTVVXQPFCBF-KZNAEPCWSA-N 1 0 302.462 3.436 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1F ZINC001308322780 1111416381 /nfs/dbraw/zinc/41/63/81/1111416381.db2.gz SYBUUQADGKDZNM-KDOFPFPSSA-N 1 0 319.468 3.244 20 10 DGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308365385 1111422488 /nfs/dbraw/zinc/42/24/88/1111422488.db2.gz CZSCHKSFHFQALT-QGZVFWFLSA-N 1 0 315.413 3.342 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccc(OC)nc2)cc1 ZINC001308483503 1111433521 /nfs/dbraw/zinc/43/35/21/1111433521.db2.gz AOIFTJVSKANTOP-UHFFFAOYSA-N 1 0 313.445 3.269 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H]2Cc3ccccc3NC2=O)cc1C ZINC001308489056 1111434161 /nfs/dbraw/zinc/43/41/61/1111434161.db2.gz TZYPTQBIDRISGL-SFHVURJKSA-N 1 0 324.424 3.437 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC001308562129 1111444503 /nfs/dbraw/zinc/44/45/03/1111444503.db2.gz VXQFSJKEJBQQNM-UKRRQHHQSA-N 1 0 317.351 3.403 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC001308667842 1111458199 /nfs/dbraw/zinc/45/81/99/1111458199.db2.gz GGWIADCZUXLCLO-VQIMIIECSA-N 1 0 310.441 3.311 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCc4ccccc4C3)C2)cc1 ZINC001308859823 1111485612 /nfs/dbraw/zinc/48/56/12/1111485612.db2.gz NLQSLJBYWSEQDM-RBUKOAKNSA-N 1 0 322.452 3.421 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1OC ZINC000083551231 192372333 /nfs/dbraw/zinc/37/23/33/192372333.db2.gz AWYVVDMFODCFEZ-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000164616049 432050528 /nfs/dbraw/zinc/05/05/28/432050528.db2.gz SBEIMSPLOCYLSE-HNNXBMFYSA-N 1 0 300.450 3.389 20 10 DGCDRO COCCOCC[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000179583676 432063914 /nfs/dbraw/zinc/06/39/14/432063914.db2.gz KSBDQXJYYVVPQP-UHFFFAOYSA-N 1 0 315.413 3.057 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000091931305 193128127 /nfs/dbraw/zinc/12/81/27/193128127.db2.gz CFXAKEDEJOSODH-UHFFFAOYSA-N 1 0 308.809 3.415 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCC(C(=O)NC)CC2)cc1 ZINC000268809876 432139293 /nfs/dbraw/zinc/13/92/93/432139293.db2.gz AROBXNGCRSMQLS-ODIFPOPNSA-N 1 0 317.477 3.098 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000268850631 432144417 /nfs/dbraw/zinc/14/44/17/432144417.db2.gz PMZQNXPOMUJZMW-VOBQZIQPSA-N 1 0 310.441 3.452 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc2c(c1)CC(=O)N2C ZINC000272827779 130067815 /nfs/dbraw/zinc/06/78/15/130067815.db2.gz HCCOOFAFPZWKDX-STQMWFEESA-N 1 0 310.397 3.323 20 10 DGCDRO C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccccc1O ZINC000272846927 130068430 /nfs/dbraw/zinc/06/84/30/130068430.db2.gz KLKKSCDLNRYNFR-HNNXBMFYSA-N 1 0 310.441 3.142 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c(O)c1C ZINC000273355762 130111650 /nfs/dbraw/zinc/11/16/50/130111650.db2.gz CNMDATWAIXVIRY-WMLDXEAASA-N 1 0 317.404 3.402 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000273415877 130118681 /nfs/dbraw/zinc/11/86/81/130118681.db2.gz QXEPICARAHCEKL-KBXCAEBGSA-N 1 0 315.413 3.402 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Br)cc1O ZINC000273429328 130120362 /nfs/dbraw/zinc/12/03/62/130120362.db2.gz VFVOQBJKTAEHBN-CMPLNLGQSA-N 1 0 314.223 3.374 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273437599 130122080 /nfs/dbraw/zinc/12/20/80/130122080.db2.gz XNPCJOZMIJQNEX-HOCLYGCPSA-N 1 0 317.404 3.342 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C ZINC000273481231 130126551 /nfs/dbraw/zinc/12/65/51/130126551.db2.gz MEDXDPZRCUYGGQ-KGLIPLIRSA-N 1 0 304.434 3.059 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c(O)c1C ZINC000273500966 130129061 /nfs/dbraw/zinc/12/90/61/130129061.db2.gz QCQKYKUTXZVOLN-AWEZNQCLSA-N 1 0 312.413 3.001 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c(O)c1C ZINC000273571671 130139296 /nfs/dbraw/zinc/13/92/96/130139296.db2.gz KVLXMAGQXRQWQY-HNNXBMFYSA-N 1 0 318.461 3.308 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@@H]1CCOC1 ZINC000273604567 130143629 /nfs/dbraw/zinc/14/36/29/130143629.db2.gz SUQBKEJURMUDLZ-OUAUKWLOSA-N 1 0 314.223 3.230 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+](C)C2CCC(OC)CC2)c1O ZINC000273805549 130170676 /nfs/dbraw/zinc/17/06/76/130170676.db2.gz XVRSSZKSRIHMQD-UHFFFAOYSA-N 1 0 313.825 3.444 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)[C@]12CCCO2 ZINC000274197508 130215103 /nfs/dbraw/zinc/21/51/03/130215103.db2.gz KXONOWXSYRSDFS-ZWQIFLOQSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000275300869 130302943 /nfs/dbraw/zinc/30/29/43/130302943.db2.gz QLWUCNARZNWHGD-FPTDNZKUSA-N 1 0 317.454 3.258 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)CCO)c1O ZINC000275346221 130307894 /nfs/dbraw/zinc/30/78/94/130307894.db2.gz PSMOSFVAZFJOGW-GXSJLCMTSA-N 1 0 316.239 3.132 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1 ZINC000283916190 131033643 /nfs/dbraw/zinc/03/36/43/131033643.db2.gz INMFPFQDAQXMNZ-UHFFFAOYSA-N 1 0 307.344 3.039 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000284282514 131066955 /nfs/dbraw/zinc/06/69/55/131066955.db2.gz HQFQILXOWRQLPS-JTQLQIEISA-N 1 0 324.327 3.248 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1O ZINC000284430449 131079664 /nfs/dbraw/zinc/07/96/64/131079664.db2.gz RWYCBWDTIJBEHR-OCCSQVGLSA-N 1 0 316.228 3.417 20 10 DGCDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(Br)cc1O ZINC000284457519 131082252 /nfs/dbraw/zinc/08/22/52/131082252.db2.gz UUTKUDIOHRIMLU-SNVBAGLBSA-N 1 0 314.223 3.110 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1O ZINC000284927537 131123943 /nfs/dbraw/zinc/12/39/43/131123943.db2.gz GTQSVGNZBHWHMR-UONOGXRCSA-N 1 0 311.809 3.198 20 10 DGCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000285112293 131139410 /nfs/dbraw/zinc/13/94/10/131139410.db2.gz NMMNAZPASUZRTR-SFHVURJKSA-N 1 0 314.429 3.102 20 10 DGCDRO Cc1ccnc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000286073536 131217890 /nfs/dbraw/zinc/21/78/90/131217890.db2.gz LXUZFRINMGHQMC-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1ccc(F)cc1[O-] ZINC000286277439 131228030 /nfs/dbraw/zinc/22/80/30/131228030.db2.gz VPBYOVMTPDWHKJ-LRDDRELGSA-N 1 0 305.397 3.413 20 10 DGCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c(F)cn1 ZINC000286889582 131254155 /nfs/dbraw/zinc/25/41/55/131254155.db2.gz IXEHDPYJDSRQFG-GFCCVEGCSA-N 1 0 303.381 3.146 20 10 DGCDRO C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1O ZINC000287136574 131266077 /nfs/dbraw/zinc/26/60/77/131266077.db2.gz RYJCBBNPAVCNFL-GUYCJALGSA-N 1 0 302.393 3.485 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](O)c1ccccc1 ZINC000288547154 131329797 /nfs/dbraw/zinc/32/97/97/131329797.db2.gz LFUYYPRMTYRPCV-UGSOOPFHSA-N 1 0 302.393 3.103 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](O)c1ccccc1 ZINC000288547149 131330424 /nfs/dbraw/zinc/33/04/24/131330424.db2.gz LFUYYPRMTYRPCV-FZKQIMNGSA-N 1 0 302.393 3.103 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c(O)c1 ZINC000288557529 131330587 /nfs/dbraw/zinc/33/05/87/131330587.db2.gz MAMYWGZFIRJZCJ-AUUYWEPGSA-N 1 0 315.413 3.393 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(OCC(F)F)cc2)c1O ZINC000289393950 131382812 /nfs/dbraw/zinc/38/28/12/131382812.db2.gz FLMKOMZKYGCBOY-UHFFFAOYSA-N 1 0 323.339 3.335 20 10 DGCDRO Cc1cc(C[N@@H+]2CCSC3(CCOCC3)C2)ccc1N(C)C ZINC000294583012 131846117 /nfs/dbraw/zinc/84/61/17/131846117.db2.gz MSTVYBAZZZEAEU-UHFFFAOYSA-N 1 0 320.502 3.159 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccn(-c3ccccc3)n1)CC2 ZINC000297570766 132023759 /nfs/dbraw/zinc/02/37/59/132023759.db2.gz GPCWUIJYSOXZGA-GOSISDBHSA-N 1 0 319.408 3.398 20 10 DGCDRO CO[C@@H](C)c1nc(C[NH2+][C@H]2CCc3cccc(O)c32)cs1 ZINC000297946430 132041570 /nfs/dbraw/zinc/04/15/70/132041570.db2.gz YJSFVOGHRQBIBQ-GWCFXTLKSA-N 1 0 304.415 3.333 20 10 DGCDRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(N(C)C)cc3)c(C)n2n1 ZINC000120568002 132148736 /nfs/dbraw/zinc/14/87/36/132148736.db2.gz OHEFYUOJSMRZOT-CQSZACIVSA-N 1 0 323.444 3.263 20 10 DGCDRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000090952808 400083627 /nfs/dbraw/zinc/08/36/27/400083627.db2.gz UYIANTVNUQJWTQ-QFBILLFUSA-N 1 0 320.477 3.115 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000091957517 400141924 /nfs/dbraw/zinc/14/19/24/400141924.db2.gz CWHZSMZKBOQJGL-MSOLQXFVSA-N 1 0 314.429 3.434 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000091958847 400143062 /nfs/dbraw/zinc/14/30/62/400143062.db2.gz UMKXDXHEYUTGEC-RDJZCZTQSA-N 1 0 301.386 3.382 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1 ZINC000030651674 400331349 /nfs/dbraw/zinc/33/13/49/400331349.db2.gz BPONYXQUKFKWOO-UHFFFAOYSA-N 1 0 320.440 3.287 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c(O)c1 ZINC000185687553 292196740 /nfs/dbraw/zinc/19/67/40/292196740.db2.gz RTJDHJQVOGNBNN-KGLIPLIRSA-N 1 0 315.392 3.164 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c1 ZINC000273297302 286339189 /nfs/dbraw/zinc/33/91/89/286339189.db2.gz AKABCRSSKRIWLK-LRDDRELGSA-N 1 0 320.458 3.416 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000363859961 286339336 /nfs/dbraw/zinc/33/93/36/286339336.db2.gz SVYLAVFDNZMQOT-AADNMHCOSA-N 1 0 305.418 3.255 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)[C@@]12CCCO2 ZINC000274197500 286395498 /nfs/dbraw/zinc/39/54/98/286395498.db2.gz KXONOWXSYRSDFS-FZDIXFNVSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCOC1 ZINC000157497620 287040691 /nfs/dbraw/zinc/04/06/91/287040691.db2.gz OGBBHVMRNPCBHD-SJLPKXTDSA-N 1 0 302.462 3.438 20 10 DGCDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000269011036 432150617 /nfs/dbraw/zinc/15/06/17/432150617.db2.gz MSUJEINPFGLYLH-SJLPKXTDSA-N 1 0 320.477 3.115 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1O ZINC000136681807 432159836 /nfs/dbraw/zinc/15/98/36/432159836.db2.gz PYXJZJOJPGAGBU-OAHLLOKOSA-N 1 0 305.418 3.372 20 10 DGCDRO C[C@H]([NH2+]CCSCCCO)c1ccc(N2CCCCC2)cc1 ZINC000151177093 432226332 /nfs/dbraw/zinc/22/63/32/432226332.db2.gz WILNWGMDCQFJHG-INIZCTEOSA-N 1 0 322.518 3.443 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2c(C)nn(C)c2C)cc1 ZINC000151131837 432220995 /nfs/dbraw/zinc/22/09/95/432220995.db2.gz GRHVPOZNCSZIBE-ZDUSSCGKSA-N 1 0 300.450 3.344 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000280088124 276883401 /nfs/dbraw/zinc/88/34/01/276883401.db2.gz YXFCQIKWCPXBOB-GFCCVEGCSA-N 1 0 316.367 3.288 20 10 DGCDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178226078 277333443 /nfs/dbraw/zinc/33/34/43/277333443.db2.gz WFQOFRHPDQVIKB-MRXNPFEDSA-N 1 0 317.477 3.100 20 10 DGCDRO CC[C@H]([NH2+][C@H](C(=O)N(C)CC)C(C)C)c1ccc(C)cc1O ZINC000296537919 288075255 /nfs/dbraw/zinc/07/52/55/288075255.db2.gz QUVLYPJSXSJCDI-RDJZCZTQSA-N 1 0 306.450 3.244 20 10 DGCDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000252817045 279271836 /nfs/dbraw/zinc/27/18/36/279271836.db2.gz XNEPSSSMAKZCFV-ZNLKAECVSA-N 1 0 305.443 3.353 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cccnc3)CC2)cc1 ZINC000112541432 431282006 /nfs/dbraw/zinc/28/20/06/431282006.db2.gz HBPKVPJUBOVIKM-OAHLLOKOSA-N 1 0 311.429 3.410 20 10 DGCDRO COCCCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000112641131 431292101 /nfs/dbraw/zinc/29/21/01/431292101.db2.gz NLIXLXYNYRCAOB-KRWDZBQOSA-N 1 0 307.434 3.190 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CCCC(=O)N2CCc3ccccc32)c1 ZINC000113341786 431343138 /nfs/dbraw/zinc/34/31/38/431343138.db2.gz YIOLLYZEJGLBOH-UHFFFAOYSA-N 1 0 324.424 3.160 20 10 DGCDRO CCOc1cc(C[NH2+]Cc2cccc(OC)c2O)ccc1OC ZINC000114505432 431394342 /nfs/dbraw/zinc/39/43/42/431394342.db2.gz UVQACUVOORWTBV-UHFFFAOYSA-N 1 0 317.385 3.098 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)OC)CC1)c1ccc(N(C)C)cc1 ZINC000153007803 280184533 /nfs/dbraw/zinc/18/45/33/280184533.db2.gz QQLPWNUIOKSQIL-QGZVFWFLSA-N 1 0 319.449 3.024 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCOCCC(C)C)CC2)cc1 ZINC000119541188 431704443 /nfs/dbraw/zinc/70/44/43/431704443.db2.gz DAEFAVACOPOFGL-UHFFFAOYSA-N 1 0 320.477 3.316 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc1C ZINC000121199323 431753319 /nfs/dbraw/zinc/75/33/19/431753319.db2.gz YLXVSKTUVKQKLY-UHFFFAOYSA-N 1 0 306.450 3.040 20 10 DGCDRO COCCCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000122784327 431844704 /nfs/dbraw/zinc/84/47/04/431844704.db2.gz POMXZDPWMPRWBD-HNNXBMFYSA-N 1 0 324.440 3.130 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611681 431916255 /nfs/dbraw/zinc/91/62/55/431916255.db2.gz XDJZKMZLQSNQFT-HNNXBMFYSA-N 1 0 311.303 3.045 20 10 DGCDRO CCOC[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093838581 431917011 /nfs/dbraw/zinc/91/70/11/431917011.db2.gz RTMICBHYVJAWLB-NSHDSACASA-N 1 0 314.223 3.013 20 10 DGCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)c1O ZINC000093845473 431918492 /nfs/dbraw/zinc/91/84/92/431918492.db2.gz ZHYGBIJADGSJIG-MRXNPFEDSA-N 1 0 300.402 3.467 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)CCCO)c1cc(Br)ccc1O ZINC000094942160 431920539 /nfs/dbraw/zinc/92/05/39/431920539.db2.gz NHSOQRQQGJKQRB-MFKMUULPSA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000048326848 431923846 /nfs/dbraw/zinc/92/38/46/431923846.db2.gz RFPZCRTWMYJPAS-UHFFFAOYSA-N 1 0 302.443 3.183 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(N2CCCCCC2)cc1 ZINC000183201342 432269441 /nfs/dbraw/zinc/26/94/41/432269441.db2.gz SVULTIOTHDZVMR-HNNXBMFYSA-N 1 0 317.477 3.229 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000183376161 432288382 /nfs/dbraw/zinc/28/83/82/432288382.db2.gz PHEOXDHODMJWLC-UHFFFAOYSA-N 1 0 300.402 3.099 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccccc1O ZINC000183439200 432293466 /nfs/dbraw/zinc/29/34/66/432293466.db2.gz JDOJCDOZXHMCAU-CYBMUJFWSA-N 1 0 302.443 3.163 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1O ZINC000183432572 432293729 /nfs/dbraw/zinc/29/37/29/432293729.db2.gz DDXLYPKNEYERAD-DYVFJYSZSA-N 1 0 302.393 3.485 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccn1 ZINC000152308538 432321845 /nfs/dbraw/zinc/32/18/45/432321845.db2.gz WIOMOSBVIUSWJW-JKSUJKDBSA-N 1 0 311.429 3.330 20 10 DGCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271052369 432323097 /nfs/dbraw/zinc/32/30/97/432323097.db2.gz WXGVUAAPHNVGAQ-SFHVURJKSA-N 1 0 324.424 3.112 20 10 DGCDRO C[N@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccccc1O ZINC000271120242 432332439 /nfs/dbraw/zinc/33/24/39/432332439.db2.gz HGBHQNNTGGXGCZ-HNNXBMFYSA-N 1 0 304.415 3.332 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000174536625 432355536 /nfs/dbraw/zinc/35/55/36/432355536.db2.gz SBZWRSJTBCZDBE-JQFCIGGWSA-N 1 0 306.425 3.185 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1n1ccnc1 ZINC000271265736 432365174 /nfs/dbraw/zinc/36/51/74/432365174.db2.gz LTOQGRRFMNFXFV-RDTXWAMCSA-N 1 0 316.424 3.171 20 10 DGCDRO C[C@H]([NH2+]CCc1ccccn1)c1ccc(Br)cc1O ZINC000184839412 432438316 /nfs/dbraw/zinc/43/83/16/432438316.db2.gz ONYGOPXPSQWXRD-NSHDSACASA-N 1 0 321.218 3.443 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc2c(cc1O)CCCC2 ZINC000184926958 432445947 /nfs/dbraw/zinc/44/59/47/432445947.db2.gz BJMXNCPDEXLUIF-CYBMUJFWSA-N 1 0 324.424 3.221 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000184936760 432447929 /nfs/dbraw/zinc/44/79/29/432447929.db2.gz BWWGQLSKXPMMFP-ZDUSSCGKSA-N 1 0 302.393 3.444 20 10 DGCDRO C[C@@H]([NH2+]CCc1cccnc1)c1cc(Br)ccc1O ZINC000184980147 432453061 /nfs/dbraw/zinc/45/30/61/432453061.db2.gz OIVYIWSQUBVKES-LLVKDONJSA-N 1 0 321.218 3.443 20 10 DGCDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185149061 432472245 /nfs/dbraw/zinc/47/22/45/432472245.db2.gz XDZRIMIDHXBUQF-UWVGGRQHSA-N 1 0 302.212 3.088 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1O ZINC000185445271 432501016 /nfs/dbraw/zinc/50/10/16/432501016.db2.gz GWUJUYTWSHUPNN-XDTLVQLUSA-N 1 0 314.223 3.109 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000185468431 432504289 /nfs/dbraw/zinc/50/42/89/432504289.db2.gz RFLODBQJAXSQFW-PZROIBLQSA-N 1 0 319.376 3.313 20 10 DGCDRO CCCNC(=O)C1([NH2+]Cc2cc(C)ccc2O)CCCCC1 ZINC000154542757 432506598 /nfs/dbraw/zinc/50/65/98/432506598.db2.gz VUXTXZCNWMSYNU-UHFFFAOYSA-N 1 0 304.434 3.019 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1 ZINC000185525461 432509255 /nfs/dbraw/zinc/50/92/55/432509255.db2.gz XFOMPDLSWNJUES-ZBFHGGJFSA-N 1 0 315.413 3.218 20 10 DGCDRO COc1cccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1O ZINC000185111345 432467252 /nfs/dbraw/zinc/46/72/52/432467252.db2.gz MKPBSODDQGAVBQ-KRWDZBQOSA-N 1 0 321.804 3.052 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(OC)c1OC ZINC000154069829 432470811 /nfs/dbraw/zinc/47/08/11/432470811.db2.gz IRDKVSOXBKPGQY-LBPRGKRZSA-N 1 0 317.385 3.269 20 10 DGCDRO C[C@@H]([NH2+]CCc1cccs1)c1ccc(N2CCOCC2)cc1 ZINC000155563268 432560643 /nfs/dbraw/zinc/56/06/43/432560643.db2.gz YVZBKWFBBCUIHM-OAHLLOKOSA-N 1 0 316.470 3.478 20 10 DGCDRO COc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000263655681 432563157 /nfs/dbraw/zinc/56/31/57/432563157.db2.gz FTEPTDCBPNOJGD-CYBMUJFWSA-N 1 0 301.386 3.130 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)c1 ZINC000186157678 432563318 /nfs/dbraw/zinc/56/33/18/432563318.db2.gz NYSYMQMYMJXKDU-GHMZBOCLSA-N 1 0 304.390 3.460 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@@H]1Oc1ccccc1 ZINC000186161910 432563541 /nfs/dbraw/zinc/56/35/41/432563541.db2.gz URCUZOJPNNQFTQ-UHOSZYNNSA-N 1 0 313.397 3.107 20 10 DGCDRO Oc1ccccc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000263679190 432564091 /nfs/dbraw/zinc/56/40/91/432564091.db2.gz MDOJTXRNQYLTLR-UHFFFAOYSA-N 1 0 319.408 3.356 20 10 DGCDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000185582755 432513776 /nfs/dbraw/zinc/51/37/76/432513776.db2.gz UPKYNXXVGJZPMS-ZDUSSCGKSA-N 1 0 309.381 3.085 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(CCO)CCCCC2)c1 ZINC000185669415 432522725 /nfs/dbraw/zinc/52/27/25/432522725.db2.gz BNZGGYROSRJRJJ-AWEZNQCLSA-N 1 0 307.434 3.384 20 10 DGCDRO CC[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccccc1O ZINC000155160779 432542310 /nfs/dbraw/zinc/54/23/10/432542310.db2.gz GPTHOZTYCBEETA-CYBMUJFWSA-N 1 0 304.356 3.317 20 10 DGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186177218 432566175 /nfs/dbraw/zinc/56/61/75/432566175.db2.gz WCOIGHHODUIPQX-LLVKDONJSA-N 1 0 305.397 3.240 20 10 DGCDRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccccc1O ZINC000186335184 432582670 /nfs/dbraw/zinc/58/26/70/432582670.db2.gz GAUJTYLKILQYHW-ASFAAARLSA-N 1 0 312.413 3.268 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1C ZINC000273467233 432601848 /nfs/dbraw/zinc/60/18/48/432601848.db2.gz FAZRCQDNZUEZJI-JYJNAYRXSA-N 1 0 318.461 3.307 20 10 DGCDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000264189067 432624171 /nfs/dbraw/zinc/62/41/71/432624171.db2.gz BLCCMGUGFQECPO-GOSISDBHSA-N 1 0 312.413 3.092 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)cc1 ZINC000178181711 432703883 /nfs/dbraw/zinc/70/38/83/432703883.db2.gz DGOGNJPQDXVXOS-AWEZNQCLSA-N 1 0 311.429 3.092 20 10 DGCDRO CC[C@H](C[NH2+]Cc1cccc(C)c1O)NC(=O)OC(C)(C)C ZINC000227714094 432714300 /nfs/dbraw/zinc/71/43/00/432714300.db2.gz VJJRMUFNYXHAAF-CQSZACIVSA-N 1 0 308.422 3.094 20 10 DGCDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178365481 432725709 /nfs/dbraw/zinc/72/57/09/432725709.db2.gz NKLWCKWTZOVSKP-VQIMIIECSA-N 1 0 320.477 3.115 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1C ZINC000266165223 432753020 /nfs/dbraw/zinc/75/30/20/432753020.db2.gz ALPVXPNZJODTPN-UHFFFAOYSA-N 1 0 311.429 3.294 20 10 DGCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)cc(OC)c1OC ZINC000237295716 432783081 /nfs/dbraw/zinc/78/30/81/432783081.db2.gz RUGGEMVQRRFPGX-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 ZINC000237588478 432793015 /nfs/dbraw/zinc/79/30/15/432793015.db2.gz KRDSONPKZAVAJQ-AWEZNQCLSA-N 1 0 312.413 3.375 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)CC(F)(F)F)C2CC2)cc1 ZINC000276342229 432799969 /nfs/dbraw/zinc/79/99/69/432799969.db2.gz ISSXDCNVADDIAG-HNNXBMFYSA-N 1 0 316.367 3.030 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCn1cnc3ccccc31)CC2 ZINC000296218071 432884630 /nfs/dbraw/zinc/88/46/30/432884630.db2.gz ZSBDSBRMOHAUBY-INIZCTEOSA-N 1 0 307.397 3.409 20 10 DGCDRO CCCN(Cc1c(C)nn(CC)c1C)c1ccc(C[NH3+])cc1 ZINC000278386843 432892492 /nfs/dbraw/zinc/89/24/92/432892492.db2.gz MIZIZIXUEXPTLR-UHFFFAOYSA-N 1 0 300.450 3.395 20 10 DGCDRO Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000278436449 432895068 /nfs/dbraw/zinc/89/50/68/432895068.db2.gz UZMCAWBXYGGHOU-HIFRSBDPSA-N 1 0 320.433 3.046 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCOCC(F)(F)C(F)F ZINC000277441840 432849884 /nfs/dbraw/zinc/84/98/84/432849884.db2.gz DYTFDMFOOQNEDG-UHFFFAOYSA-N 1 0 315.694 3.052 20 10 DGCDRO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000278436450 432895187 /nfs/dbraw/zinc/89/51/87/432895187.db2.gz UZMCAWBXYGGHOU-UKRRQHHQSA-N 1 0 320.433 3.046 20 10 DGCDRO CC[C@H](C)c1nnc([C@H](C)NCc2ccc3c(c2)CCO3)[nH]1 ZINC000277458752 432851962 /nfs/dbraw/zinc/85/19/62/432851962.db2.gz QBZNKBCFLKRHBP-RYUDHWBXSA-N 1 0 300.406 3.104 20 10 DGCDRO CC[N@H+](Cc1cnc([C@H](C)O)s1)Cc1ccc(N(C)C)cc1 ZINC000278989739 432924267 /nfs/dbraw/zinc/92/42/67/432924267.db2.gz QFFMXEUGDSECKF-ZDUSSCGKSA-N 1 0 319.474 3.285 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCSC(C)(C)CC2)cc1OC ZINC000278797180 432901392 /nfs/dbraw/zinc/90/13/92/432901392.db2.gz PLPCVEZVNHCAJP-UHFFFAOYSA-N 1 0 311.447 3.127 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000297181486 432969445 /nfs/dbraw/zinc/96/94/45/432969445.db2.gz DYGCEBBZRRZVEU-LIRRHRJNSA-N 1 0 316.420 3.146 20 10 DGCDRO CN(C)c1cccnc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000289933440 432979518 /nfs/dbraw/zinc/97/95/18/432979518.db2.gz WHNYCFNKWIDUID-UHFFFAOYSA-N 1 0 324.472 3.428 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ncnn2-c2ccccc2)c(O)c1C ZINC000279620523 432989861 /nfs/dbraw/zinc/98/98/61/432989861.db2.gz YEMOSZLODHNEEH-HNNXBMFYSA-N 1 0 322.412 3.441 20 10 DGCDRO COC1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279741477 432990721 /nfs/dbraw/zinc/99/07/21/432990721.db2.gz XBXFMIDAOZLYFI-UHFFFAOYSA-N 1 0 316.367 3.382 20 10 DGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1cc(Cl)ccc1O ZINC000290399540 433045468 /nfs/dbraw/zinc/04/54/68/433045468.db2.gz SUDFHXRVUYSZDA-NCHVAJSOSA-N 1 0 319.788 3.191 20 10 DGCDRO COc1cccc(C[NH2+]C[C@H]2CCCN2C2CCCCC2)c1O ZINC000280544928 433082215 /nfs/dbraw/zinc/08/22/15/433082215.db2.gz DGHGLILZMAXPCV-QGZVFWFLSA-N 1 0 318.461 3.288 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCCCCO)c(C(F)(F)F)c1 ZINC000280557275 433083808 /nfs/dbraw/zinc/08/38/08/433083808.db2.gz KNSDGPUIHCXZEZ-UHFFFAOYSA-N 1 0 304.356 3.024 20 10 DGCDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000290536019 433084879 /nfs/dbraw/zinc/08/48/79/433084879.db2.gz QZMIPLYYEQYYDQ-CQSZACIVSA-N 1 0 300.358 3.099 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)ccc1OC ZINC000290939282 433210718 /nfs/dbraw/zinc/21/07/18/433210718.db2.gz PSIMIGWQTKVUDN-GOSISDBHSA-N 1 0 321.461 3.118 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1OC ZINC000291561459 433272119 /nfs/dbraw/zinc/27/21/19/433272119.db2.gz NDMCKEGKBOXPKE-KRWDZBQOSA-N 1 0 303.402 3.174 20 10 DGCDRO COc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1O ZINC000291779572 433351069 /nfs/dbraw/zinc/35/10/69/433351069.db2.gz UTIDBJLQTFSEJQ-UHFFFAOYSA-N 1 0 316.357 3.334 20 10 DGCDRO CCCc1nc(C)c(C[NH2+]Cc2cccc(OCC)c2O)o1 ZINC000291740731 433334289 /nfs/dbraw/zinc/33/42/89/433334289.db2.gz OVOPOUGJZOFJFH-UHFFFAOYSA-N 1 0 304.390 3.330 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)c(O)c1 ZINC000281648360 433336078 /nfs/dbraw/zinc/33/60/78/433336078.db2.gz PLQRFDHUNMQLGW-CYBMUJFWSA-N 1 0 317.458 3.477 20 10 DGCDRO C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(Cl)ccc1O ZINC000375273257 433407530 /nfs/dbraw/zinc/40/75/30/433407530.db2.gz YUNKWZLMLPCCGJ-NSHDSACASA-N 1 0 305.809 3.429 20 10 DGCDRO CCOC1CC(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000375689575 433531224 /nfs/dbraw/zinc/53/12/24/433531224.db2.gz QVJFARNJOAQHDA-UHFFFAOYSA-N 1 0 318.461 3.022 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1OC ZINC000282312517 433564465 /nfs/dbraw/zinc/56/44/65/433564465.db2.gz HASIFFGLLQLWCW-LLVKDONJSA-N 1 0 315.360 3.325 20 10 DGCDRO CCCC[N@H+](CCn1c(C)csc1=O)Cc1ccccc1O ZINC000282396413 433591575 /nfs/dbraw/zinc/59/15/75/433591575.db2.gz HJQOOPJMEUZFQU-UHFFFAOYSA-N 1 0 320.458 3.226 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)c(O)c1 ZINC000293232581 433669003 /nfs/dbraw/zinc/66/90/03/433669003.db2.gz AXMHRFFDTRRIFL-HNNXBMFYSA-N 1 0 318.461 3.499 20 10 DGCDRO COCCCN1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293807294 433875880 /nfs/dbraw/zinc/87/58/80/433875880.db2.gz RJJIYEZSOMRZKV-MRXNPFEDSA-N 1 0 320.477 3.161 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293690273 433827423 /nfs/dbraw/zinc/82/74/23/433827423.db2.gz QNQPTFDJCZJDEE-UHFFFAOYSA-N 1 0 314.282 3.277 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1C ZINC000293702109 433834735 /nfs/dbraw/zinc/83/47/35/433834735.db2.gz RQDGCCAYOUMPTM-GOSISDBHSA-N 1 0 301.430 3.400 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1O ZINC000377834121 434016120 /nfs/dbraw/zinc/01/61/20/434016120.db2.gz JEKZWTZMFQFTOX-CVEARBPZSA-N 1 0 319.445 3.430 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCC(C)(C)CO)c(C(F)(F)F)c1 ZINC000294685921 434128013 /nfs/dbraw/zinc/12/80/13/434128013.db2.gz BYLOVWHBSHNRHW-UHFFFAOYSA-N 1 0 318.383 3.270 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](Cc2ccccc2)OC)c1 ZINC000294715935 434129639 /nfs/dbraw/zinc/12/96/39/434129639.db2.gz FAXYHOVQYQINGA-PBHICJAKSA-N 1 0 315.413 3.309 20 10 DGCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C2 ZINC000363869339 434170927 /nfs/dbraw/zinc/17/09/27/434170927.db2.gz UCAAULTVSJYMAG-IINYFYTJSA-N 1 0 317.820 3.352 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(C)(C)O ZINC000295061467 434174172 /nfs/dbraw/zinc/17/41/72/434174172.db2.gz RFRSNBGKTPCADX-ZANVPECISA-N 1 0 316.239 3.355 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(C)(C)O ZINC000295100896 434201801 /nfs/dbraw/zinc/20/18/01/434201801.db2.gz VZHKWNUCRUNTDR-RNCFNFMXSA-N 1 0 316.239 3.355 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)CCC[NH3+])c(C)n1-c1ccccc1C ZINC000295221569 434263228 /nfs/dbraw/zinc/26/32/28/434263228.db2.gz MTCYYWQPKVEKHB-CQSZACIVSA-N 1 0 313.445 3.260 20 10 DGCDRO CCOCc1cc(C[NH2+]C2(C3CC3)CCOCC2)ccc1OC ZINC000364071329 434227285 /nfs/dbraw/zinc/22/72/85/434227285.db2.gz YMMUZQYROGNPRR-UHFFFAOYSA-N 1 0 319.445 3.281 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1cnn(-c3ccccc3)c1)CC2 ZINC000296042738 434487485 /nfs/dbraw/zinc/48/74/85/434487485.db2.gz QSWYSDBOAPYKJU-GOSISDBHSA-N 1 0 319.408 3.398 20 10 DGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC=C(C)C3)cc2)CC1 ZINC000296049119 434489329 /nfs/dbraw/zinc/48/93/29/434489329.db2.gz QIORLGZTFHIXFU-UHFFFAOYSA-N 1 0 300.446 3.454 20 10 DGCDRO CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000296161097 434528837 /nfs/dbraw/zinc/52/88/37/434528837.db2.gz XEQDPWJKYRYJGP-SJORKVTESA-N 1 0 314.404 3.411 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000367701480 434555182 /nfs/dbraw/zinc/55/51/82/434555182.db2.gz LBGHDDBRBPSHSX-ZDUSSCGKSA-N 1 0 323.742 3.325 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1C ZINC000368248518 434570916 /nfs/dbraw/zinc/57/09/16/434570916.db2.gz FDQCQUWCIMOPKS-MRXNPFEDSA-N 1 0 319.445 3.027 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C1CC1 ZINC000368665181 434579658 /nfs/dbraw/zinc/57/96/58/434579658.db2.gz CCYRNHOMHITIJP-GOSISDBHSA-N 1 0 300.446 3.144 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1F ZINC000371140822 434643396 /nfs/dbraw/zinc/64/33/96/434643396.db2.gz UCPZGYHPTVOWTQ-HNNXBMFYSA-N 1 0 316.424 3.042 20 10 DGCDRO c1nc2n(c1C[NH2+]Cc1ccc(N3CCCCC3)cc1)CCCC2 ZINC000370263248 434609065 /nfs/dbraw/zinc/60/90/65/434609065.db2.gz VZRAQMVWRJJAEA-UHFFFAOYSA-N 1 0 324.472 3.500 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc2ccccc2c1O ZINC000370399707 434612383 /nfs/dbraw/zinc/61/23/83/434612383.db2.gz VMOXWRMDJRQKEL-WFASDCNBSA-N 1 0 307.397 3.477 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1F ZINC000371811956 434754479 /nfs/dbraw/zinc/75/44/79/434754479.db2.gz YVDBQOJOMXCXKH-MRXNPFEDSA-N 1 0 306.425 3.140 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)c1O ZINC000361171393 434821271 /nfs/dbraw/zinc/82/12/71/434821271.db2.gz UHPWUVRWJLPEMY-QGZVFWFLSA-N 1 0 312.413 3.067 20 10 DGCDRO O=C(/C=C\c1cccnc1)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC000492074864 434909841 /nfs/dbraw/zinc/90/98/41/434909841.db2.gz XSYVMGJUCCRFKI-SREVYHEPSA-N 1 0 322.343 3.190 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)c(O)c1C ZINC000528001798 435018422 /nfs/dbraw/zinc/01/84/22/435018422.db2.gz PWUOJJHLIJFDGB-GUYCJALGSA-N 1 0 310.397 3.223 20 10 DGCDRO COCC1(CC[NH2+]Cc2cc(Cl)cc(OC)c2O)CCC1 ZINC000293529335 335111670 /nfs/dbraw/zinc/11/16/70/335111670.db2.gz BRWRZTVPJAMEIE-UHFFFAOYSA-N 1 0 313.825 3.351 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c1 ZINC000293661198 335114737 /nfs/dbraw/zinc/11/47/37/335114737.db2.gz IQEKYGJSYZZLIF-DZGCQCFKSA-N 1 0 307.434 3.240 20 10 DGCDRO CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187736132 333236826 /nfs/dbraw/zinc/23/68/26/333236826.db2.gz DEFHWJSQGGBNAS-GFCCVEGCSA-N 1 0 312.404 3.443 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000360039883 337084115 /nfs/dbraw/zinc/08/41/15/337084115.db2.gz ZNXGKPKSHDSFOD-DJIMGWMZSA-N 1 0 305.418 3.084 20 10 DGCDRO COc1cccc([C@H](C[NH2+]Cc2cc(C)ccc2O)OC)c1 ZINC000527736331 337759789 /nfs/dbraw/zinc/75/97/89/337759789.db2.gz KSVAEIHOLINAOM-SFHVURJKSA-N 1 0 301.386 3.187 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1ccc(C)cc1O ZINC000527996740 337778887 /nfs/dbraw/zinc/77/88/87/337778887.db2.gz FRIIQQWAZIBQMU-NVXWUHKLSA-N 1 0 310.397 3.305 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](c2ccco2)N(C)C)c1O ZINC000184704920 533953817 /nfs/dbraw/zinc/95/38/17/533953817.db2.gz YSFIIRCXJMBNIV-CYBMUJFWSA-N 1 0 324.808 3.040 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCSC3)CC2)cc1 ZINC000367898262 534000277 /nfs/dbraw/zinc/00/02/77/534000277.db2.gz FFEHFXKUSRVKSX-HNNXBMFYSA-N 1 0 320.502 3.397 20 10 DGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000163469781 518838538 /nfs/dbraw/zinc/83/85/38/518838538.db2.gz BDHGJMAOXXKTBW-LSDHHAIUSA-N 1 0 320.433 3.318 20 10 DGCDRO CC(C)N1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1=O ZINC000265262481 519690410 /nfs/dbraw/zinc/69/04/10/519690410.db2.gz ZJYIAFKTOBBTCW-SFHVURJKSA-N 1 0 324.424 3.158 20 10 DGCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180020561 520665113 /nfs/dbraw/zinc/66/51/13/520665113.db2.gz MXECQFYRMNKPBQ-KGLIPLIRSA-N 1 0 322.424 3.048 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCOC[C@H]3C)cc2)CC1 ZINC000192557260 521042074 /nfs/dbraw/zinc/04/20/74/521042074.db2.gz DQCMPDYESOKVIK-APWZRJJASA-N 1 0 302.462 3.438 20 10 DGCDRO CC[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000127401348 522600498 /nfs/dbraw/zinc/60/04/98/522600498.db2.gz WYXOKQBWMSBMQO-HRAATJIYSA-N 1 0 310.507 3.341 20 10 DGCDRO COc1cc(O)c(C[NH2+]C2(C)Cc3ccccc3C2)cc1OC ZINC000182663367 522778643 /nfs/dbraw/zinc/77/86/43/522778643.db2.gz WKMKHIFPVIKHAD-UHFFFAOYSA-N 1 0 313.397 3.057 20 10 DGCDRO C[N@H+](CCCn1ccnc1)Cc1ccc(N2CCCCC2)cc1 ZINC000182668252 522801997 /nfs/dbraw/zinc/80/19/97/522801997.db2.gz BDZJBERRRAECDN-UHFFFAOYSA-N 1 0 312.461 3.396 20 10 DGCDRO COc1cc2c(cc1OC)C[N@H+](Cc1cc(C)ccc1O)CC2 ZINC000179942715 523033016 /nfs/dbraw/zinc/03/30/16/523033016.db2.gz GVKQOSNYONBTTR-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C3CCOCC3)CC2)cc1 ZINC000157456172 524404305 /nfs/dbraw/zinc/40/43/05/524404305.db2.gz OYYZPQJQCFCRQH-HNNXBMFYSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000179950419 524736247 /nfs/dbraw/zinc/73/62/47/524736247.db2.gz VGYDWUUTKGQRAB-UHFFFAOYSA-N 1 0 305.418 3.324 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000179854548 524746882 /nfs/dbraw/zinc/74/68/82/524746882.db2.gz JJBCUCGEYURNRL-AUUYWEPGSA-N 1 0 313.397 3.363 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)c1 ZINC000182447864 524766925 /nfs/dbraw/zinc/76/69/25/524766925.db2.gz HFHHKMUXKCTFLM-GFCCVEGCSA-N 1 0 314.385 3.210 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c1 ZINC000182410897 524770689 /nfs/dbraw/zinc/77/06/89/524770689.db2.gz DEPSENVSCAPIHJ-ZDUSSCGKSA-N 1 0 311.385 3.208 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000237390358 525526829 /nfs/dbraw/zinc/52/68/29/525526829.db2.gz FBVOMMLHYNMZPF-CYBMUJFWSA-N 1 0 304.365 3.106 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000158245349 525540298 /nfs/dbraw/zinc/54/02/98/525540298.db2.gz IWKJYHXPTOYBNS-SWLSCSKDSA-N 1 0 305.805 3.300 20 10 DGCDRO Oc1ccccc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000238102721 526373532 /nfs/dbraw/zinc/37/35/32/526373532.db2.gz GOTRTPFWQMBYIP-INIZCTEOSA-N 1 0 300.402 3.302 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000374499237 527870527 /nfs/dbraw/zinc/87/05/27/527870527.db2.gz ZHSUYFKNINFFHN-VDZJLULYSA-N 1 0 318.461 3.131 20 10 DGCDRO CCOc1cccc(C[NH2+]CC[C@@H](O)c2ccccc2)c1O ZINC000289467435 535457592 /nfs/dbraw/zinc/45/75/92/535457592.db2.gz PACCNGGHCIFMRQ-MRXNPFEDSA-N 1 0 301.386 3.004 20 10 DGCDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000284266001 535770339 /nfs/dbraw/zinc/77/03/39/535770339.db2.gz WNFACBWPOOTLHK-CQSZACIVSA-N 1 0 320.433 3.281 20 10 DGCDRO CC[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(C)cc1O ZINC000280146926 535803999 /nfs/dbraw/zinc/80/39/99/535803999.db2.gz PYIQLDLKHHGWND-OAHLLOKOSA-N 1 0 304.365 3.354 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1ccc(N(C)C)cc1 ZINC000280838522 535913141 /nfs/dbraw/zinc/91/31/41/535913141.db2.gz AJGRLDYCHIVZMJ-APWZRJJASA-N 1 0 317.477 3.052 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000274820821 535938088 /nfs/dbraw/zinc/93/80/88/535938088.db2.gz BPDHMGWGJHJJIB-ZWKOTPCHSA-N 1 0 324.424 3.234 20 10 DGCDRO COCc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)ccc1F ZINC000297573420 536715372 /nfs/dbraw/zinc/71/53/72/536715372.db2.gz GUMAWZJVFLMZIB-MRXNPFEDSA-N 1 0 301.361 3.455 20 10 DGCDRO C[C@H]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000323662132 546477446 /nfs/dbraw/zinc/47/74/46/546477446.db2.gz USFIKYYOTBLSLE-AWEZNQCLSA-N 1 0 306.409 3.486 20 10 DGCDRO C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)Cc1ccccc1O ZINC000731843510 574560032 /nfs/dbraw/zinc/56/00/32/574560032.db2.gz MENILXHPFWHPFN-UHFFFAOYSA-N 1 0 305.761 3.406 20 10 DGCDRO CC[C@H](C)NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000732205008 574568181 /nfs/dbraw/zinc/56/81/81/574568181.db2.gz XFZXACCCHHWHHW-AWEZNQCLSA-N 1 0 304.434 3.052 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1F ZINC000733325140 574615772 /nfs/dbraw/zinc/61/57/72/574615772.db2.gz ABCJUBZBQPUADB-QGZVFWFLSA-N 1 0 322.811 3.368 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](C2CCCCC2)N(C)C)cc1F ZINC000733324677 574615892 /nfs/dbraw/zinc/61/58/92/574615892.db2.gz SAECTCGZLGGWMY-LJQANCHMSA-N 1 0 321.484 3.492 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](OC)C(F)(F)F)cc1 ZINC000733329581 574616773 /nfs/dbraw/zinc/61/67/73/574616773.db2.gz VTKKUSMDDDKEEO-CQSZACIVSA-N 1 0 304.356 3.200 20 10 DGCDRO CN(C)c1ccc(CN(CC[NH+]2CCCCC2)C2CC2)cc1 ZINC000736946331 574812339 /nfs/dbraw/zinc/81/23/39/574812339.db2.gz ZKLAAQXDVAFQQT-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC000741257566 574954561 /nfs/dbraw/zinc/95/45/61/574954561.db2.gz FNEIFJRCWJNMRQ-FQEVSTJZSA-N 1 0 320.440 3.480 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000741678292 574966444 /nfs/dbraw/zinc/96/64/44/574966444.db2.gz NEFMMDPIADKAFP-MRXNPFEDSA-N 1 0 319.493 3.125 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](COC)c2ccc(CC)o2)c(O)c1 ZINC000742373753 574993491 /nfs/dbraw/zinc/99/34/91/574993491.db2.gz IQVMLDKJVFNCGJ-INIZCTEOSA-N 1 0 319.401 3.424 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCC[NH+](C)C ZINC000729286751 575232234 /nfs/dbraw/zinc/23/22/34/575232234.db2.gz XOGMRFWHKUQKHO-UHFFFAOYSA-N 1 0 319.493 3.222 20 10 DGCDRO CC1CC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000747100236 575496156 /nfs/dbraw/zinc/49/61/56/575496156.db2.gz GEPPFXILZSIPMR-UHFFFAOYSA-N 1 0 303.406 3.473 20 10 DGCDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000747815568 575543266 /nfs/dbraw/zinc/54/32/66/575543266.db2.gz ROZDDMAVKZRPTQ-KRWDZBQOSA-N 1 0 322.412 3.183 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000748246859 575574862 /nfs/dbraw/zinc/57/48/62/575574862.db2.gz QHBHWZDGLJCSDB-KRWDZBQOSA-N 1 0 317.433 3.401 20 10 DGCDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000748246873 575575329 /nfs/dbraw/zinc/57/53/29/575575329.db2.gz QPPYWMFPMJREJP-LJQANCHMSA-N 1 0 318.461 3.498 20 10 DGCDRO CCCC[N@H+](CCOC)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000750045216 575699810 /nfs/dbraw/zinc/69/98/10/575699810.db2.gz NDHFQWPNMOCFCD-UHFFFAOYSA-N 1 0 313.825 3.497 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1O ZINC000752264446 575829596 /nfs/dbraw/zinc/82/95/96/575829596.db2.gz DLZPWGNGITXKRC-VPZZIHKRSA-N 1 0 313.397 3.444 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2[nH]nc3ccccc32)n1 ZINC000752264934 575829889 /nfs/dbraw/zinc/82/98/89/575829889.db2.gz JUDGKNYSPSFKMY-UHFFFAOYSA-N 1 0 304.444 3.291 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@@H+](C)C(C)C ZINC000726195264 576011759 /nfs/dbraw/zinc/01/17/59/576011759.db2.gz VQWDLXDBERXBHB-UHFFFAOYSA-N 1 0 319.474 3.226 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3[nH]nc4ccccc43)ccc21 ZINC000727469925 576128180 /nfs/dbraw/zinc/12/81/80/576128180.db2.gz PUELZXIPXIKWSL-UHFFFAOYSA-N 1 0 306.413 3.235 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(C3CC3)cc2)cc1 ZINC000852792248 620649104 /nfs/dbraw/zinc/64/91/04/620649104.db2.gz TWCZUEDXCHSHKF-LJQANCHMSA-N 1 0 323.440 3.060 20 10 DGCDRO CC(C)(C)OC(=O)[C@H](C[NH2+]Cc1ccccc1O)C1CCC1 ZINC000853095116 620667994 /nfs/dbraw/zinc/66/79/94/620667994.db2.gz IXAFEMXCVUQQHW-OAHLLOKOSA-N 1 0 305.418 3.240 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCOCCF)c1O ZINC000853238323 620680968 /nfs/dbraw/zinc/68/09/68/620680968.db2.gz GHCKVAWIWSZJCN-JTQLQIEISA-N 1 0 320.202 3.100 20 10 DGCDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1O ZINC000111236013 620685510 /nfs/dbraw/zinc/68/55/10/620685510.db2.gz NYEDJDIQCFYNBJ-UHFFFAOYSA-N 1 0 316.357 3.201 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000918196692 620700650 /nfs/dbraw/zinc/70/06/50/620700650.db2.gz BYMQFJUMIHSYQO-QGZVFWFLSA-N 1 0 304.821 3.229 20 10 DGCDRO CCOc1cccc(C[N@H+](C)CCOc2ccccc2)c1O ZINC000154738937 620708832 /nfs/dbraw/zinc/70/88/32/620708832.db2.gz COABTBGXMLYTPA-UHFFFAOYSA-N 1 0 301.386 3.302 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H]4COC[C@@]4(C)C3)c2c1 ZINC000853567104 620710466 /nfs/dbraw/zinc/71/04/66/620710466.db2.gz SYBGUUKHKPWYGG-IFXJQAMLSA-N 1 0 313.397 3.022 20 10 DGCDRO CCC(CC)[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000111404438 620710802 /nfs/dbraw/zinc/71/08/02/620710802.db2.gz LRHACHSRRNEGHD-CQSZACIVSA-N 1 0 316.239 3.041 20 10 DGCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H]1CCc2ccccc21 ZINC000853611082 620715436 /nfs/dbraw/zinc/71/54/36/620715436.db2.gz WGZOBOBTMVYVDW-AWEZNQCLSA-N 1 0 311.381 3.283 20 10 DGCDRO Cc1nnc(CN(C)Cc2cc3c(cc2O)CCCC3)s1 ZINC000853619349 620716637 /nfs/dbraw/zinc/71/66/37/620716637.db2.gz XQSPEFAIDCILPZ-UHFFFAOYSA-N 1 0 303.431 3.063 20 10 DGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@@](C)(C(F)F)O1 ZINC000853631457 620717713 /nfs/dbraw/zinc/71/77/13/620717713.db2.gz WKNAWZDCUWSWLA-GTNSWQLSSA-N 1 0 322.355 3.185 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000154904238 620737061 /nfs/dbraw/zinc/73/70/61/620737061.db2.gz RAKGNSCYPPVNRX-OAHLLOKOSA-N 1 0 320.433 3.190 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2F)CC1 ZINC000806133288 617670744 /nfs/dbraw/zinc/67/07/44/617670744.db2.gz KUABYQHDDRENSP-WMZOPIPTSA-N 1 0 318.436 3.065 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2F)CC1 ZINC000806133285 617670859 /nfs/dbraw/zinc/67/08/59/617670859.db2.gz KUABYQHDDRENSP-AEFFLSMTSA-N 1 0 318.436 3.065 20 10 DGCDRO CN(C)c1ccc([C@H](CNC(=O)C2(C)CCCC2)[NH+](C)C)cc1 ZINC000891251062 617760437 /nfs/dbraw/zinc/76/04/37/617760437.db2.gz CUWDIXXBVHFDGJ-KRWDZBQOSA-N 1 0 317.477 3.052 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cn3ccnc3s2)cc1 ZINC000891400581 617792341 /nfs/dbraw/zinc/79/23/41/617792341.db2.gz WVFXWJBCSVSBPR-UHFFFAOYSA-N 1 0 300.431 3.094 20 10 DGCDRO COc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(O)c1OC ZINC000891574106 617841176 /nfs/dbraw/zinc/84/11/76/617841176.db2.gz KGHXAUNKXPBXMV-UHFFFAOYSA-N 1 0 319.323 3.184 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(O)c1OC ZINC000891630139 617855965 /nfs/dbraw/zinc/85/59/65/617855965.db2.gz LOFUMKUQZBMVOR-OAHLLOKOSA-N 1 0 314.385 3.142 20 10 DGCDRO COc1ccc(C[N@@H+]2CCc3c(C)cccc3C2)c(O)c1OC ZINC000891944090 617930683 /nfs/dbraw/zinc/93/06/83/617930683.db2.gz XSWXHMBYINPUES-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c(O)c1OC ZINC000892009682 617944229 /nfs/dbraw/zinc/94/42/29/617944229.db2.gz NMKLDQPPNKDBKV-LBPRGKRZSA-N 1 0 317.385 3.308 20 10 DGCDRO C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1O ZINC000892040632 617949374 /nfs/dbraw/zinc/94/93/74/617949374.db2.gz NBFOMSFNVZMITQ-AWEZNQCLSA-N 1 0 319.449 3.065 20 10 DGCDRO COc1ccc(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c(O)c1OC ZINC000892203088 617983602 /nfs/dbraw/zinc/98/36/02/617983602.db2.gz QEOZLTWSKRPIIB-KBXCAEBGSA-N 1 0 323.433 3.045 20 10 DGCDRO COc1ccc(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c(O)c1OC ZINC000892203089 617983709 /nfs/dbraw/zinc/98/37/09/617983709.db2.gz QEOZLTWSKRPIIB-KDOFPFPSSA-N 1 0 323.433 3.045 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCN2CCCCCC2=O)c(Cl)c1 ZINC000840876374 618051932 /nfs/dbraw/zinc/05/19/32/618051932.db2.gz METDCPMMSBBJSI-UHFFFAOYSA-N 1 0 324.852 3.236 20 10 DGCDRO COc1ccc(C[NH2+]CCCc2ccccc2)c(O)c1OC ZINC000892423609 618063181 /nfs/dbraw/zinc/06/31/81/618063181.db2.gz SOVHFCYWSQSRSW-UHFFFAOYSA-N 1 0 301.386 3.132 20 10 DGCDRO COc1ccc(C[NH2+]CCCOC2CCCCC2)c(O)c1OC ZINC000892462671 618072093 /nfs/dbraw/zinc/07/20/93/618072093.db2.gz UNSFZCZETXUHAR-UHFFFAOYSA-N 1 0 323.433 3.238 20 10 DGCDRO Oc1ccccc1[C@H](CCc1ccccc1)NCC12CC(C1)C[NH2+]2 ZINC000854227419 620786120 /nfs/dbraw/zinc/78/61/20/620786120.db2.gz OILACKSEMMNHLL-BIXGBWIQSA-N 1 0 322.452 3.408 20 10 DGCDRO C[C@H](NCC12CC(C1)C[NH2+]2)c1ccc(N2CCCCC2)c(F)c1 ZINC000854228496 620786629 /nfs/dbraw/zinc/78/66/29/620786629.db2.gz XIBQRINYXTYEBN-XVTSOASTSA-N 1 0 317.452 3.219 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000840892668 618298165 /nfs/dbraw/zinc/29/81/65/618298165.db2.gz BWXKOLOGXKHLFU-XYJFISCASA-N 1 0 304.478 3.397 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894443760 618334408 /nfs/dbraw/zinc/33/44/08/618334408.db2.gz DHZXQCRDQDWIQN-HNNXBMFYSA-N 1 0 319.401 3.040 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c(C)nn(C(C)C)c2C)c1O ZINC000894457429 618338953 /nfs/dbraw/zinc/33/89/53/618338953.db2.gz AFPWEHHRIXZUFC-UHFFFAOYSA-N 1 0 303.406 3.085 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](SC)C2)c(O)c1OC ZINC000892949701 618365191 /nfs/dbraw/zinc/36/51/91/618365191.db2.gz CANFCBCAKYTBBK-OLZOCXBDSA-N 1 0 311.447 3.173 20 10 DGCDRO CC[C@](C)([NH2+]Cc1ccc(OC)c(OC)c1O)c1nccs1 ZINC000892991498 618380324 /nfs/dbraw/zinc/38/03/24/618380324.db2.gz MKPWDAPUFPDBQT-INIZCTEOSA-N 1 0 322.430 3.281 20 10 DGCDRO CC(C)c1nnc(C[NH2+]CCCSc2nccs2)s1 ZINC000893044002 618402300 /nfs/dbraw/zinc/40/23/00/618402300.db2.gz CVVQWIUPXXVGIJ-UHFFFAOYSA-N 1 0 314.505 3.390 20 10 DGCDRO C[C@]1(Br)C[C@H]1C[NH2+]CCCSc1nccs1 ZINC000893044591 618402394 /nfs/dbraw/zinc/40/23/94/618402394.db2.gz IEZQHUITSUDWBT-ONGXEEELSA-N 1 0 321.309 3.388 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1O ZINC000894748837 618443551 /nfs/dbraw/zinc/44/35/51/618443551.db2.gz XPNBCCMUQLZRHT-GDBMZVCRSA-N 1 0 307.434 3.225 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)c1O ZINC000894747775 618443762 /nfs/dbraw/zinc/44/37/62/618443762.db2.gz NOHPANYRAPBQDK-RDTXWAMCSA-N 1 0 315.413 3.229 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000893192136 618468440 /nfs/dbraw/zinc/46/84/40/618468440.db2.gz QSBPVEQMRKVCDE-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c(O)c1OC ZINC000894890644 618489040 /nfs/dbraw/zinc/48/90/40/618489040.db2.gz WQKPYCOSUMMPFY-UKRRQHHQSA-N 1 0 305.418 3.325 20 10 DGCDRO c1csc(SCCC[NH2+][C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000925102150 618505739 /nfs/dbraw/zinc/50/57/39/618505739.db2.gz LMRJYJARLVUHTB-KBPBESRZSA-N 1 0 311.520 3.232 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c1O ZINC000895088461 618534467 /nfs/dbraw/zinc/53/44/67/618534467.db2.gz ZIGCFOBMXKTPBU-GOSISDBHSA-N 1 0 319.445 3.152 20 10 DGCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840935386 618609979 /nfs/dbraw/zinc/60/99/79/618609979.db2.gz NUDDQBZTQHKGTG-ZJBJCVSYSA-N 1 0 322.518 3.230 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1OC ZINC000893622761 618619194 /nfs/dbraw/zinc/61/91/94/618619194.db2.gz HGJGURMTMRYLHM-LSDHHAIUSA-N 1 0 323.433 3.091 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(Cl)c1 ZINC000840945892 618619241 /nfs/dbraw/zinc/61/92/41/618619241.db2.gz FELNHNXLAMFXCT-BBRMVZONSA-N 1 0 308.853 3.413 20 10 DGCDRO COc1nccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1F ZINC000893685100 618638577 /nfs/dbraw/zinc/63/85/77/618638577.db2.gz UXWAYLVVRZLQEH-GFCCVEGCSA-N 1 0 303.381 3.146 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccc(F)cc1 ZINC000840963495 618640337 /nfs/dbraw/zinc/64/03/37/618640337.db2.gz OOFWPCNPYRBMGU-GFCCVEGCSA-N 1 0 309.768 3.050 20 10 DGCDRO Cc1noc2ncc(C[N@@H+](C)Cc3ccc(N(C)C)cc3)cc12 ZINC000893864257 618667972 /nfs/dbraw/zinc/66/79/72/618667972.db2.gz VWMOCZINMLCJTF-UHFFFAOYSA-N 1 0 310.401 3.229 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)ccc1O ZINC000893920615 618676018 /nfs/dbraw/zinc/67/60/18/618676018.db2.gz UUXKJVAAMGXMNJ-UHFFFAOYSA-N 1 0 317.385 3.055 20 10 DGCDRO Cc1ccnc(N)c1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000893948329 618681998 /nfs/dbraw/zinc/68/19/98/618681998.db2.gz TWONGJUAVZNECL-UHFFFAOYSA-N 1 0 312.461 3.449 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2COc3ccccc3C2)c1O ZINC000894136730 618718332 /nfs/dbraw/zinc/71/83/32/618718332.db2.gz CWNSJTWOZNTCBM-AWEZNQCLSA-N 1 0 313.397 3.050 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(O)c1OC ZINC000894140236 618718978 /nfs/dbraw/zinc/71/89/78/618718978.db2.gz BAHIXMHHTCAAGH-KOLCDFICSA-N 1 0 319.323 3.182 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@](C)(CO)C2CCCCC2)c1O ZINC000894277426 618749729 /nfs/dbraw/zinc/74/97/29/618749729.db2.gz AKNLUMYFJIOYTQ-SFHVURJKSA-N 1 0 307.434 3.130 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c1O ZINC000895536339 618795921 /nfs/dbraw/zinc/79/59/21/618795921.db2.gz KNASERCGEPJNKD-KRWDZBQOSA-N 1 0 319.445 3.020 20 10 DGCDRO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000895577755 618801323 /nfs/dbraw/zinc/80/13/23/618801323.db2.gz SNJLFLYMJVRDMZ-GFCCVEGCSA-N 1 0 309.715 3.199 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2cc(O)ccc2Cl)cc1OC ZINC000895637507 618810652 /nfs/dbraw/zinc/81/06/52/618810652.db2.gz KZPYDKZKZVPSGV-UHFFFAOYSA-N 1 0 323.776 3.058 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000895765151 618828416 /nfs/dbraw/zinc/82/84/16/618828416.db2.gz YWPQCWZFUHCKTP-UHFFFAOYSA-N 1 0 323.190 3.310 20 10 DGCDRO C[C@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000895852635 618842089 /nfs/dbraw/zinc/84/20/89/618842089.db2.gz YJPYUWWVWUCLMC-HSBZDZAISA-N 1 0 320.433 3.346 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]Cc2nc3c(s2)CCC3)c1O ZINC000896287275 618897191 /nfs/dbraw/zinc/89/71/91/618897191.db2.gz IVZJZJAINFJHLB-UHFFFAOYSA-N 1 0 324.833 3.289 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000896810591 618964309 /nfs/dbraw/zinc/96/43/09/618964309.db2.gz WVYJBYRELMMVDV-BXUZGUMPSA-N 1 0 303.324 3.290 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(O)(C3CCC3)CC2)c(Cl)c1 ZINC000897034548 619004763 /nfs/dbraw/zinc/00/47/63/619004763.db2.gz AKJJKDVXNQGYNF-UHFFFAOYSA-N 1 0 309.837 3.481 20 10 DGCDRO [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897036810 619004945 /nfs/dbraw/zinc/00/49/45/619004945.db2.gz MRMFUTPVSWWTRC-UHFFFAOYSA-N 1 0 313.800 3.312 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000788978017 625309861 /nfs/dbraw/zinc/30/98/61/625309861.db2.gz LRHICTNWDQXQCT-QXAKKESOSA-N 1 0 302.462 3.438 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000788978018 625310083 /nfs/dbraw/zinc/31/00/83/625310083.db2.gz LRHICTNWDQXQCT-YTQUADARSA-N 1 0 302.462 3.438 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c1O ZINC000897081088 619012474 /nfs/dbraw/zinc/01/24/74/619012474.db2.gz JKRFXSJSIIGZBQ-YOEHRIQHSA-N 1 0 305.418 3.004 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1C ZINC000840717706 619037446 /nfs/dbraw/zinc/03/74/46/619037446.db2.gz HYBOEFGWCZDRQX-QBIMZIAESA-N 1 0 320.452 3.311 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000897270026 619040077 /nfs/dbraw/zinc/04/00/77/619040077.db2.gz VRDMXLDCIFGXAA-INIZCTEOSA-N 1 0 319.445 3.430 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CC(c2nc(-c3ccccc3)no2)C1 ZINC000897319664 619055997 /nfs/dbraw/zinc/05/59/97/619055997.db2.gz UGDMAKDLYVZQLL-UHFFFAOYSA-N 1 0 321.380 3.350 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cnn(CC3CCC3)c2)c1 ZINC000897433628 619119104 /nfs/dbraw/zinc/11/91/04/619119104.db2.gz ZAHXVIBHGUTSDJ-UHFFFAOYSA-N 1 0 315.417 3.077 20 10 DGCDRO C[C@H](C[NH2+]Cc1cc(F)ccc1O)c1ccccc1[N+](=O)[O-] ZINC000897466618 619130947 /nfs/dbraw/zinc/13/09/47/619130947.db2.gz YFUIQGDPCJHNDF-LLVKDONJSA-N 1 0 304.321 3.333 20 10 DGCDRO CN(C)c1ccc([C@H](CNc2ccc(F)cn2)[NH+](C)C)cc1 ZINC000897523878 619145266 /nfs/dbraw/zinc/14/52/66/619145266.db2.gz YVVGLSNXFHMHKG-INIZCTEOSA-N 1 0 302.397 3.002 20 10 DGCDRO COc1cccc(C[NH2+]CCc2ccc(N)cc2)c1OC(F)F ZINC000841037138 619202194 /nfs/dbraw/zinc/20/21/94/619202194.db2.gz SQQDAJQGTBWBMU-UHFFFAOYSA-N 1 0 322.355 3.211 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1 ZINC000898063327 619209940 /nfs/dbraw/zinc/20/99/40/619209940.db2.gz YFSXPKFCEJBZKJ-UJNJHQOQSA-N 1 0 312.457 3.315 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898062996 619210100 /nfs/dbraw/zinc/21/01/00/619210100.db2.gz VNTHWFCXAABWMQ-FUHWJXTLSA-N 1 0 300.446 3.110 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1O ZINC000898070964 619212260 /nfs/dbraw/zinc/21/22/60/619212260.db2.gz CGNPDCDIEWJELL-CYBMUJFWSA-N 1 0 318.442 3.312 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1 ZINC000898168212 619220231 /nfs/dbraw/zinc/22/02/31/619220231.db2.gz XCRPCFMYMARIGX-INIZCTEOSA-N 1 0 309.413 3.080 20 10 DGCDRO CSCC(C)(C)[NH2+]Cc1c(O)cccc1Br ZINC000898305309 619235409 /nfs/dbraw/zinc/23/54/09/619235409.db2.gz XRBABDOOSOAUME-UHFFFAOYSA-N 1 0 304.253 3.386 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)CC2 ZINC000926914743 619248313 /nfs/dbraw/zinc/24/83/13/619248313.db2.gz JAZJYSNJDPWIOL-OUCADQQQSA-N 1 0 315.335 3.469 20 10 DGCDRO CCO[C@H](C[NH2+][C@H](CC)c1cc(Cl)ccc1O)CN(C)C ZINC000926959557 619252700 /nfs/dbraw/zinc/25/27/00/619252700.db2.gz JRQQXARSCDCGCF-UKRRQHHQSA-N 1 0 314.857 3.053 20 10 DGCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000898516211 619283073 /nfs/dbraw/zinc/28/30/73/619283073.db2.gz NZAZILZDBKMSMR-ZBFHGGJFSA-N 1 0 305.418 3.039 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901053843 619469759 /nfs/dbraw/zinc/46/97/59/619469759.db2.gz SOZJXUBMOCUUMN-IAGOWNOFSA-N 1 0 316.445 3.148 20 10 DGCDRO C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1cccc(C(F)(F)F)c1O ZINC000902444360 619637190 /nfs/dbraw/zinc/63/71/90/619637190.db2.gz NFXIIWATALWWNA-SKDRFNHKSA-N 1 0 302.340 3.060 20 10 DGCDRO CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000902488478 619646395 /nfs/dbraw/zinc/64/63/95/619646395.db2.gz YNLYUWXEISWSBZ-AUTRQRHGSA-N 1 0 303.233 3.477 20 10 DGCDRO C[N@H+](Cc1cccc(=O)[nH]1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000902562427 619651958 /nfs/dbraw/zinc/65/19/58/619651958.db2.gz NECYEERDZBOLAF-UHFFFAOYSA-N 1 0 316.401 3.128 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C2OCCO2)cc1C(C)C ZINC000902623166 619659026 /nfs/dbraw/zinc/65/90/26/619659026.db2.gz VEOBVPXRHDTXOA-INIZCTEOSA-N 1 0 305.418 3.161 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1ccc(C)cc1O ZINC000903063415 619709275 /nfs/dbraw/zinc/70/92/75/619709275.db2.gz FCGWCXGCYAMJEH-GDBMZVCRSA-N 1 0 302.422 3.267 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(N(C)C)ccn2)c2c1c(F)ccc2O ZINC000903198069 619735078 /nfs/dbraw/zinc/73/50/78/619735078.db2.gz FDUZDJNGASSORG-ABAIWWIYSA-N 1 0 315.392 3.330 20 10 DGCDRO C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000903238935 619742359 /nfs/dbraw/zinc/74/23/59/619742359.db2.gz BSPGPFCMNIKTHI-GFCCVEGCSA-N 1 0 306.406 3.100 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000903240532 619743039 /nfs/dbraw/zinc/74/30/39/619743039.db2.gz ZPSBTBPIKRHHET-ZDUSSCGKSA-N 1 0 320.433 3.409 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H]3[C@@H]3C[C@H]3C)CC2)cc1 ZINC000903253651 619745330 /nfs/dbraw/zinc/74/53/30/619745330.db2.gz LMKOHPIBORYSTD-CODKJTEISA-N 1 0 300.446 3.298 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c(O)c1 ZINC000903271305 619750000 /nfs/dbraw/zinc/75/00/00/619750000.db2.gz MGXHKJXFNXWGDB-KNBMTAEXSA-N 1 0 311.425 3.444 20 10 DGCDRO CO[C@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CCSC1 ZINC000903314189 619758474 /nfs/dbraw/zinc/75/84/74/619758474.db2.gz IJSSBCIRRKEVEN-YGRLFVJLSA-N 1 0 301.839 3.218 20 10 DGCDRO CC[C@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1ccc(C)cc1O ZINC000903357571 619764562 /nfs/dbraw/zinc/76/45/62/619764562.db2.gz NUDONISHGNSPBC-FUHWJXTLSA-N 1 0 307.434 3.325 20 10 DGCDRO CC(C)O[C@@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CCOC1 ZINC000903357536 619764613 /nfs/dbraw/zinc/76/46/13/619764613.db2.gz NAKYOWLKZLQSML-MLGOLLRUSA-N 1 0 313.825 3.280 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1ccc(N(C)C)cc1 ZINC000903360694 619765269 /nfs/dbraw/zinc/76/52/69/619765269.db2.gz LSTJHHQMOOCCPA-MOPGFXCFSA-N 1 0 320.477 3.377 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)N[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000903378469 619768488 /nfs/dbraw/zinc/76/84/88/619768488.db2.gz CJPAQOLGAMFNJI-QAPCUYQASA-N 1 0 313.445 3.439 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(N(C)C)cc1 ZINC000903386339 619770023 /nfs/dbraw/zinc/77/00/23/619770023.db2.gz BBRIMARMYRIAPP-ZWKOTPCHSA-N 1 0 318.461 3.131 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(C)cc1O ZINC000903389494 619770561 /nfs/dbraw/zinc/77/05/61/619770561.db2.gz LZOMCCUCHAFSSC-NVXWUHKLSA-N 1 0 305.418 3.079 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2c(C)nc3ccccn32)c1O ZINC000903420875 619776237 /nfs/dbraw/zinc/77/62/37/619776237.db2.gz DTRTVUBCNQAWCC-GFCCVEGCSA-N 1 0 311.385 3.208 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc2ccccc2c1O ZINC000903421472 619776294 /nfs/dbraw/zinc/77/62/94/619776294.db2.gz UIBUODWOPJTFKH-CYBMUJFWSA-N 1 0 323.396 3.123 20 10 DGCDRO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1nccs1 ZINC000903447737 619778235 /nfs/dbraw/zinc/77/82/35/619778235.db2.gz BUDQXFCOXAWCEH-XJKSGUPXSA-N 1 0 318.490 3.163 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccns1 ZINC000903447674 619778345 /nfs/dbraw/zinc/77/83/45/619778345.db2.gz AUVHPNSFYRKLGF-BBRMVZONSA-N 1 0 318.490 3.163 20 10 DGCDRO CNc1ccccc1C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000904436691 619922088 /nfs/dbraw/zinc/92/20/88/619922088.db2.gz JYIHSQUOSGFOIZ-INIZCTEOSA-N 1 0 311.429 3.105 20 10 DGCDRO Cc1cccc([C@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000905109908 619972206 /nfs/dbraw/zinc/97/22/06/619972206.db2.gz KBZDPHVCSCMBAH-CQSZACIVSA-N 1 0 308.472 3.257 20 10 DGCDRO Cc1ccc(C)c(NC(=S)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000905619738 620011107 /nfs/dbraw/zinc/01/11/07/620011107.db2.gz YXDHZZPIBGMIAZ-UHFFFAOYSA-N 1 0 314.458 3.251 20 10 DGCDRO CCOC(CCC[NH2+]Cc1ccc2c(c1)CCCO2)OCC ZINC000921492079 620858225 /nfs/dbraw/zinc/85/82/25/620858225.db2.gz CLQUTIXFSCKQBD-UHFFFAOYSA-N 1 0 307.434 3.281 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cc1 ZINC000921496046 620858662 /nfs/dbraw/zinc/85/86/62/620858662.db2.gz MEKHJMZTHXHXRC-UHFFFAOYSA-N 1 0 304.825 3.296 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000840764632 620884137 /nfs/dbraw/zinc/88/41/37/620884137.db2.gz WVCQRBCFIJDZJX-ZMLRMANQSA-N 1 0 314.223 3.373 20 10 DGCDRO c1cc(N2CCCC2)ncc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921520542 620895868 /nfs/dbraw/zinc/89/58/68/620895868.db2.gz IAPXAQYUYTYNLV-UHFFFAOYSA-N 1 0 323.440 3.297 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000113313496 620900190 /nfs/dbraw/zinc/90/01/90/620900190.db2.gz SCSZUIKPODQGDN-UHFFFAOYSA-N 1 0 319.788 3.149 20 10 DGCDRO Cc1nn(C)c(C[NH2+]CCCSc2nccs2)c1Cl ZINC000921754854 620944937 /nfs/dbraw/zinc/94/49/37/620944937.db2.gz ODGYRGNRWUZKFH-UHFFFAOYSA-N 1 0 316.883 3.110 20 10 DGCDRO CCc1noc(CC)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921830515 620956966 /nfs/dbraw/zinc/95/69/66/620956966.db2.gz NSWFMRJBCWVJTP-UHFFFAOYSA-N 1 0 300.402 3.414 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccc(N(C)C)cc1 ZINC000922016153 620980924 /nfs/dbraw/zinc/98/09/24/620980924.db2.gz ZLHARWCACCYZPZ-LBPRGKRZSA-N 1 0 311.385 3.450 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCCO[C@H]2CCCCO2)c(Cl)c1 ZINC000922230634 621009561 /nfs/dbraw/zinc/00/95/61/621009561.db2.gz HFCQZETTYAZMNC-INIZCTEOSA-N 1 0 313.825 3.377 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCO[C@@H]2CCCCO2)cc1 ZINC000922231560 621010180 /nfs/dbraw/zinc/01/01/80/621010180.db2.gz OCXSZLAIDKNUFT-WSSFADSRSA-N 1 0 318.461 3.289 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]CC[C@@H]3C[C@H]3C3CC3)cc2)CC1 ZINC000922427047 621037132 /nfs/dbraw/zinc/03/71/32/621037132.db2.gz UYIYVRQSBJJZHJ-XLIONFOSSA-N 1 0 314.473 3.174 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc3c(c2)ncn3C)cc1 ZINC000922482581 621045172 /nfs/dbraw/zinc/04/51/72/621045172.db2.gz TYZMZLIKSDJSSV-SNAWJCMRSA-N 1 0 320.440 3.442 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1C ZINC000922531576 621051167 /nfs/dbraw/zinc/05/11/67/621051167.db2.gz RGYXGRQTLRCVQR-KESTWPANSA-N 1 0 311.425 3.191 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1OC ZINC000857065662 621053524 /nfs/dbraw/zinc/05/35/24/621053524.db2.gz SUCHYSPWPGXYPL-SNVBAGLBSA-N 1 0 320.216 3.083 20 10 DGCDRO Cc1cc(O)c(CN[C@H](CC[NH+](C)C)c2cccnc2)cc1C ZINC000922628837 621069541 /nfs/dbraw/zinc/06/95/41/621069541.db2.gz URRURQAZZUKDQY-GOSISDBHSA-N 1 0 313.445 3.187 20 10 DGCDRO FC(F)(F)[C@H]1CC[C@H](CC[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000922679832 621080204 /nfs/dbraw/zinc/08/02/04/621080204.db2.gz RMSJWUKIORINBT-UKRRQHHQSA-N 1 0 315.335 3.211 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@]23CCC[C@H]2OCC3)ccc1OC ZINC000922699196 621084476 /nfs/dbraw/zinc/08/44/76/621084476.db2.gz SQIWCSHENGJMQP-RTBURBONSA-N 1 0 319.445 3.281 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000922703432 621085770 /nfs/dbraw/zinc/08/57/70/621085770.db2.gz VVUBCMXNOQMZKA-CYBMUJFWSA-N 1 0 313.397 3.404 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1F ZINC000922722591 621090323 /nfs/dbraw/zinc/09/03/23/621090323.db2.gz HDYQBLDHHHOHTQ-BBWFWOEESA-N 1 0 318.436 3.353 20 10 DGCDRO COc1ccc(C[NH2+]CC2CCN(CC(F)F)CC2)cc1C ZINC000857784849 621118850 /nfs/dbraw/zinc/11/88/50/621118850.db2.gz ZLEPDXYDBSDKBD-UHFFFAOYSA-N 1 0 312.404 3.070 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc3c(c2)COC3)cc1F ZINC000858150839 621159186 /nfs/dbraw/zinc/15/91/86/621159186.db2.gz KODVLWZETZJXPG-UHFFFAOYSA-N 1 0 318.367 3.351 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccccc1 ZINC000858164685 621160569 /nfs/dbraw/zinc/16/05/69/621160569.db2.gz CTMRTTUJJPIHQX-KPZWWZAWSA-N 1 0 320.383 3.243 20 10 DGCDRO CC[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858180045 621161892 /nfs/dbraw/zinc/16/18/92/621161892.db2.gz KALYPOLLOCFXIZ-MNOVXSKESA-N 1 0 314.223 3.202 20 10 DGCDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858184614 621162450 /nfs/dbraw/zinc/16/24/50/621162450.db2.gz NJFDZCIVKOMGNK-MFKMUULPSA-N 1 0 316.239 3.041 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1F ZINC000858185929 621162605 /nfs/dbraw/zinc/16/26/05/621162605.db2.gz KGQFVGNTADDWDV-IRXDYDNUSA-N 1 0 323.431 3.137 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000858187371 621162799 /nfs/dbraw/zinc/16/27/99/621162799.db2.gz TXSHRAYYRZDCNO-UAFONNFLSA-N 1 0 300.446 3.298 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)CCC(C)C)CC2)cc1 ZINC000858240612 621167240 /nfs/dbraw/zinc/16/72/40/621167240.db2.gz BOMUAYVXFUICAM-QGZVFWFLSA-N 1 0 320.477 3.051 20 10 DGCDRO COc1ccc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000858343118 621178438 /nfs/dbraw/zinc/17/84/38/621178438.db2.gz XVZCOUJKHQRBQT-IBGZPJMESA-N 1 0 311.429 3.397 20 10 DGCDRO COC(=O)CC1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000858358727 621180944 /nfs/dbraw/zinc/18/09/44/621180944.db2.gz REUZLTHPWJZNCQ-UHFFFAOYSA-N 1 0 322.424 3.103 20 10 DGCDRO COC(=O)CC1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000858365965 621181855 /nfs/dbraw/zinc/18/18/55/621181855.db2.gz VSNUGIKILDPZGN-UHFFFAOYSA-N 1 0 318.461 3.273 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3nc(C)cs3)C2)cc1 ZINC000858431365 621189929 /nfs/dbraw/zinc/18/99/29/621189929.db2.gz VZIDKWHGWICQQH-KGLIPLIRSA-N 1 0 317.458 3.390 20 10 DGCDRO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000858473891 621195668 /nfs/dbraw/zinc/19/56/68/621195668.db2.gz RLFXELRJDNFZIM-ZWNOBZJWSA-N 1 0 309.793 3.266 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cc(Cl)ccc1O ZINC000858479396 621196271 /nfs/dbraw/zinc/19/62/71/621196271.db2.gz QYYRKFVJLJCOMW-JQWIXIFHSA-N 1 0 318.795 3.426 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000858505748 621199779 /nfs/dbraw/zinc/19/97/79/621199779.db2.gz PMSJHAISZFEMIX-GWCFXTLKSA-N 1 0 309.793 3.348 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(N(C)C)cc1 ZINC000858528892 621201766 /nfs/dbraw/zinc/20/17/66/621201766.db2.gz HBUTUKKSTSTCOC-AUUYWEPGSA-N 1 0 323.440 3.230 20 10 DGCDRO COC(=O)CCCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000859081788 621246868 /nfs/dbraw/zinc/24/68/68/621246868.db2.gz KAQPJTVYEHZQMO-UHFFFAOYSA-N 1 0 304.434 3.060 20 10 DGCDRO CCO[C@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000859191132 621258729 /nfs/dbraw/zinc/25/87/29/621258729.db2.gz WQKXZRNMAFJBKC-IEBWSBKVSA-N 1 0 319.445 3.188 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@@H]1SC ZINC000838947012 621302289 /nfs/dbraw/zinc/30/22/89/621302289.db2.gz BGGTYRQEZGOYFG-ZACQAIPSSA-N 1 0 308.491 3.060 20 10 DGCDRO FCC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839070527 621322127 /nfs/dbraw/zinc/32/21/27/621322127.db2.gz LKLZVVUJXUCXAG-UHFFFAOYSA-N 1 0 315.230 3.499 20 10 DGCDRO CC[C@H]1CC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145544 621332565 /nfs/dbraw/zinc/33/25/65/621332565.db2.gz PZQWGNRCRKCODF-XJKSGUPXSA-N 1 0 310.388 3.080 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CC(Cc3ccc(F)cc3)C2)c1 ZINC000839134414 621338927 /nfs/dbraw/zinc/33/89/27/621338927.db2.gz JAFHGYIVBAVBIL-UHFFFAOYSA-N 1 0 301.361 3.214 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)CCCOC3)cc1F ZINC000839137302 621339817 /nfs/dbraw/zinc/33/98/17/621339817.db2.gz DOJHMODGUCEEIU-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1 ZINC000839173693 621342600 /nfs/dbraw/zinc/34/26/00/621342600.db2.gz WHIRGGFNWYEVAA-GOEBONIOSA-N 1 0 319.426 3.125 20 10 DGCDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000839187952 621345888 /nfs/dbraw/zinc/34/58/88/621345888.db2.gz RXMIEUDEJBLFEZ-GFCCVEGCSA-N 1 0 317.360 3.323 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000839193836 621347519 /nfs/dbraw/zinc/34/75/19/621347519.db2.gz WJDMFVNOHUPZCU-ZDUSSCGKSA-N 1 0 323.433 3.201 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000839193835 621347638 /nfs/dbraw/zinc/34/76/38/621347638.db2.gz WJDMFVNOHUPZCU-CYBMUJFWSA-N 1 0 323.433 3.201 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839192792 621347818 /nfs/dbraw/zinc/34/78/18/621347818.db2.gz PLWVBIAYOWRBHJ-DOTOQJQBSA-N 1 0 309.837 3.419 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000753807685 621466172 /nfs/dbraw/zinc/46/61/72/621466172.db2.gz XLOCXJUEVQVIQJ-HNNXBMFYSA-N 1 0 319.493 3.268 20 10 DGCDRO COc1cccc(OC)c1C[NH2+]CCCSc1nccs1 ZINC000753863446 621469319 /nfs/dbraw/zinc/46/93/19/621469319.db2.gz YCPSBALVBFNHJI-UHFFFAOYSA-N 1 0 324.471 3.432 20 10 DGCDRO Cc1cnc(CC[N@@H+](C)Cc2c(O)ccc3ccncc32)s1 ZINC000754794787 621533366 /nfs/dbraw/zinc/53/33/66/621533366.db2.gz QSMPEFNWLGWRDK-UHFFFAOYSA-N 1 0 313.426 3.380 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1F ZINC000862248053 621567321 /nfs/dbraw/zinc/56/73/21/621567321.db2.gz GRGRBAZQVOIUQA-GOSISDBHSA-N 1 0 324.415 3.423 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3oc(C)nc3C)CC2)cc1 ZINC000862274469 621570356 /nfs/dbraw/zinc/57/03/56/621570356.db2.gz OOTNSGBRZRGUAP-UHFFFAOYSA-N 1 0 315.417 3.059 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC(F)(F)C1 ZINC000862273251 621570465 /nfs/dbraw/zinc/57/04/65/621570465.db2.gz VMDIFXUYHGVILI-ZDUSSCGKSA-N 1 0 310.388 3.047 20 10 DGCDRO C[C@@H]1CSCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862344478 621576554 /nfs/dbraw/zinc/57/65/54/621576554.db2.gz SYEDZCKOWORPNL-NSHDSACASA-N 1 0 300.418 3.216 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1F ZINC000862388013 621582933 /nfs/dbraw/zinc/58/29/33/621582933.db2.gz UFCMLBBNQCPDLB-ZDUSSCGKSA-N 1 0 312.404 3.014 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000862522836 621596328 /nfs/dbraw/zinc/59/63/28/621596328.db2.gz IVQRLKZJBZAJFZ-IBGZPJMESA-N 1 0 301.478 3.168 20 10 DGCDRO Oc1ccccc1C[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000862535100 621597833 /nfs/dbraw/zinc/59/78/33/621597833.db2.gz RKSNPNDJZDHZIH-UHFFFAOYSA-N 1 0 321.424 3.191 20 10 DGCDRO Fc1cc(C[N@@H+]2CCCC3(CC3)CC2)ccc1N1CCOCC1 ZINC000862539805 621598266 /nfs/dbraw/zinc/59/82/66/621598266.db2.gz VWNTWIMQWBFTLY-UHFFFAOYSA-N 1 0 318.436 3.428 20 10 DGCDRO C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756363663 621631439 /nfs/dbraw/zinc/63/14/39/621631439.db2.gz QCZQDTLRLTUVAM-KGLIPLIRSA-N 1 0 321.421 3.216 20 10 DGCDRO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756378453 621632986 /nfs/dbraw/zinc/63/29/86/621632986.db2.gz DTIYFVQZWKAVLV-ZUZCIYMTSA-N 1 0 317.408 3.262 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756415885 621636712 /nfs/dbraw/zinc/63/67/12/621636712.db2.gz LTNUOLDRJOCPGU-TZMCWYRMSA-N 1 0 322.424 3.318 20 10 DGCDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756495479 621642102 /nfs/dbraw/zinc/64/21/02/621642102.db2.gz RQCDGMGXXGPOFJ-KGLIPLIRSA-N 1 0 311.429 3.343 20 10 DGCDRO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc2c(cc1O)CCCC2 ZINC000756585101 621651117 /nfs/dbraw/zinc/65/11/17/621651117.db2.gz XEFSVUYCFQHNFH-YOEHRIQHSA-N 1 0 319.445 3.117 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)[nH]n1 ZINC000756584650 621651205 /nfs/dbraw/zinc/65/12/05/621651205.db2.gz GVAWJKDDLCRGKV-SECBINFHSA-N 1 0 310.195 3.037 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(C)C ZINC000756599079 621652214 /nfs/dbraw/zinc/65/22/14/621652214.db2.gz WSVJRCYYNPFKJE-ZWNOBZJWSA-N 1 0 316.239 3.476 20 10 DGCDRO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756626255 621653699 /nfs/dbraw/zinc/65/36/99/621653699.db2.gz BJUOXVZWHIXJBL-CABCVRRESA-N 1 0 302.462 3.263 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(Cl)ccc1O ZINC000756638318 621654762 /nfs/dbraw/zinc/65/47/62/621654762.db2.gz OFXVSBBLEDAXSF-GFCCVEGCSA-N 1 0 324.852 3.487 20 10 DGCDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000756646225 621655437 /nfs/dbraw/zinc/65/54/37/621655437.db2.gz JQSQWIQDCZLBMY-NJSLBKSFSA-N 1 0 314.473 3.404 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756656085 621656550 /nfs/dbraw/zinc/65/65/50/621656550.db2.gz SXLRIMVJIVJYFE-GOEBONIOSA-N 1 0 316.445 3.142 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c(O)c1C ZINC000756708353 621659642 /nfs/dbraw/zinc/65/96/42/621659642.db2.gz BUDDKKKUHDJIFD-RDJZCZTQSA-N 1 0 318.461 3.307 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756711484 621659667 /nfs/dbraw/zinc/65/96/67/621659667.db2.gz LIRBZSWNJWOPHT-CZUORRHYSA-N 1 0 301.386 3.093 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000756742834 621661834 /nfs/dbraw/zinc/66/18/34/621661834.db2.gz PSWHXHNTXPPNHK-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO C[C@H](CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[S@](C)=O ZINC000756763178 621662599 /nfs/dbraw/zinc/66/25/99/621662599.db2.gz VHLFSKYDFBAORW-BHVCSQLQSA-N 1 0 309.475 3.079 20 10 DGCDRO C[C@@H]([NH2+]CC1(CCO)CCC1)c1cc2c(cc1O)CCCC2 ZINC000756763843 621662921 /nfs/dbraw/zinc/66/29/21/621662921.db2.gz AAABXBUWKYYQIJ-CQSZACIVSA-N 1 0 303.446 3.474 20 10 DGCDRO CCN(CC)c1ccc(CN[C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000863483289 621677354 /nfs/dbraw/zinc/67/73/54/621677354.db2.gz USAXMLZRMMLMIS-QGZVFWFLSA-N 1 0 305.441 3.046 20 10 DGCDRO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000863545396 621682555 /nfs/dbraw/zinc/68/25/55/621682555.db2.gz QRLUIVGEWXFPEZ-NUJGCVRESA-N 1 0 301.478 3.468 20 10 DGCDRO CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000863548069 621683104 /nfs/dbraw/zinc/68/31/04/621683104.db2.gz UPDQRQGZTVMQSY-GFCCVEGCSA-N 1 0 321.248 3.105 20 10 DGCDRO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccccc1O ZINC000840797711 621694441 /nfs/dbraw/zinc/69/44/41/621694441.db2.gz WXZSWMHCTMKMDF-FUEDEBDSSA-N 1 0 319.426 3.378 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2cccc(OC)c2O)cc1F ZINC000119618976 621706822 /nfs/dbraw/zinc/70/68/22/621706822.db2.gz IUZHEWORIBIQAD-UHFFFAOYSA-N 1 0 305.349 3.181 20 10 DGCDRO COc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)ccn1 ZINC000757649530 621731092 /nfs/dbraw/zinc/73/10/92/621731092.db2.gz JDADRUFDJCRCMU-UHFFFAOYSA-N 1 0 311.429 3.321 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)cc1F ZINC000864053625 621732700 /nfs/dbraw/zinc/73/27/00/621732700.db2.gz XPDMBGJWYGBZGY-ZWKOTPCHSA-N 1 0 324.415 3.468 20 10 DGCDRO c1cncc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000758633151 621792930 /nfs/dbraw/zinc/79/29/30/621792930.db2.gz RYOUEJIZUFQNRX-HXUWFJFHSA-N 1 0 323.440 3.159 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(=O)[nH]c2)cc1F ZINC000865456073 621926007 /nfs/dbraw/zinc/92/60/07/621926007.db2.gz JPAFJIZUIXTDHK-UHFFFAOYSA-N 1 0 303.381 3.062 20 10 DGCDRO C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000789559848 625526252 /nfs/dbraw/zinc/52/62/52/625526252.db2.gz YMAHEPWESQVZEE-UHFFFAOYSA-N 1 0 312.816 3.245 20 10 DGCDRO CCC1([NH+]2CCCCC2)CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000881626017 625526925 /nfs/dbraw/zinc/52/69/25/625526925.db2.gz CFDCPEGDZNJAGX-UHFFFAOYSA-N 1 0 322.474 3.324 20 10 DGCDRO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(N(C)C)cc1 ZINC000760898985 621973020 /nfs/dbraw/zinc/97/30/20/621973020.db2.gz WFAWCDAZTXQCDO-CQSZACIVSA-N 1 0 308.429 3.490 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000865712212 621981542 /nfs/dbraw/zinc/98/15/42/621981542.db2.gz YADMNMJLJUHEQE-IUODEOHRSA-N 1 0 316.367 3.078 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000761206550 621994130 /nfs/dbraw/zinc/99/41/30/621994130.db2.gz KWCNJZHLKWFZFC-CJNGLKHVSA-N 1 0 313.825 3.347 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CC2CCC(OC)CC2)c1O ZINC000761216705 621995219 /nfs/dbraw/zinc/99/52/19/621995219.db2.gz WKPNPIKHFSVSFC-UHFFFAOYSA-N 1 0 313.825 3.349 20 10 DGCDRO COCc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000761221424 621995226 /nfs/dbraw/zinc/99/52/26/621995226.db2.gz MPFRQSOLQLTTFS-UHFFFAOYSA-N 1 0 318.417 3.003 20 10 DGCDRO COc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000761220566 621995411 /nfs/dbraw/zinc/99/54/11/621995411.db2.gz GVAVKTOATFXHMB-UHFFFAOYSA-N 1 0 314.429 3.272 20 10 DGCDRO CC(C)(C)OC1CC(CC[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000762457898 622077037 /nfs/dbraw/zinc/07/70/37/622077037.db2.gz VEBNNIMGHGJITL-UHFFFAOYSA-N 1 0 321.417 3.194 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)CCC(=O)OC)cc1 ZINC000762785305 622097778 /nfs/dbraw/zinc/09/77/78/622097778.db2.gz GHPABMKZKWNITH-UHFFFAOYSA-N 1 0 306.450 3.354 20 10 DGCDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000866414346 622113674 /nfs/dbraw/zinc/11/36/74/622113674.db2.gz DYTKNPWDZDOYRX-PWSUYJOCSA-N 1 0 316.239 3.356 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000866525197 622131819 /nfs/dbraw/zinc/13/18/19/622131819.db2.gz PJGVYTQBYSDZEK-UPJWGTAASA-N 1 0 321.417 3.172 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)c(O)c1 ZINC000866530364 622132887 /nfs/dbraw/zinc/13/28/87/622132887.db2.gz AAPWFSTUYZZIEK-HZPDHXFCSA-N 1 0 319.445 3.245 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(C)cc1O ZINC000866533370 622133696 /nfs/dbraw/zinc/13/36/96/622133696.db2.gz QKYVBZCSASDQTQ-NVXWUHKLSA-N 1 0 319.445 3.327 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cn(C)c3ncccc23)c1 ZINC000866572627 622140949 /nfs/dbraw/zinc/14/09/49/622140949.db2.gz DDSUUZVETUOSHS-AWEZNQCLSA-N 1 0 309.413 3.481 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccnn1C ZINC000866613566 622146943 /nfs/dbraw/zinc/14/69/43/622146943.db2.gz IECRKAXTGUSQFS-VHSXEESVSA-N 1 0 324.222 3.300 20 10 DGCDRO Oc1ccccc1C[N@@H+](C[C@@H](O)C(F)(F)F)C1CCCC1 ZINC000763834287 622164431 /nfs/dbraw/zinc/16/44/31/622164431.db2.gz LBNRBBXAJDHYLS-CQSZACIVSA-N 1 0 303.324 3.060 20 10 DGCDRO COc1cccc(C[NH+]2CCC(OCCC(C)C)CC2)c1O ZINC000121618355 622167044 /nfs/dbraw/zinc/16/70/44/622167044.db2.gz LNRNHFOVSLMAID-UHFFFAOYSA-N 1 0 307.434 3.428 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121850448 622187047 /nfs/dbraw/zinc/18/70/47/622187047.db2.gz FTVFRFCLOCEVOY-BZSNNMDCSA-N 1 0 300.446 3.108 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000764770798 622219431 /nfs/dbraw/zinc/21/94/31/622219431.db2.gz OKLBNEWGKKQGAO-XIKOKIGWSA-N 1 0 320.383 3.415 20 10 DGCDRO C[C@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764949797 622235043 /nfs/dbraw/zinc/23/50/43/622235043.db2.gz NCRPNDZVCFRONX-BBWFWOEESA-N 1 0 303.494 3.381 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000764984844 622237671 /nfs/dbraw/zinc/23/76/71/622237671.db2.gz ZIVPCQCYNNTCQE-QGZVFWFLSA-N 1 0 321.804 3.052 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000765280502 622256453 /nfs/dbraw/zinc/25/64/53/622256453.db2.gz LYORYBVPPPJCMY-SJLPKXTDSA-N 1 0 301.478 3.422 20 10 DGCDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765331561 622259853 /nfs/dbraw/zinc/25/98/53/622259853.db2.gz FFBBSDAMEOPKST-INIZCTEOSA-N 1 0 317.477 3.196 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000765359776 622260721 /nfs/dbraw/zinc/26/07/21/622260721.db2.gz YLHPMEQQQWLXMV-WBVHZDCISA-N 1 0 323.440 3.209 20 10 DGCDRO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000765505232 622269137 /nfs/dbraw/zinc/26/91/37/622269137.db2.gz UYCBWRPEFFPFTA-CYBMUJFWSA-N 1 0 311.420 3.133 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000765632345 622278230 /nfs/dbraw/zinc/27/82/30/622278230.db2.gz ZRJJBWJAADKNDY-DOTOQJQBSA-N 1 0 319.449 3.024 20 10 DGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)N(C)C ZINC000765776975 622286201 /nfs/dbraw/zinc/28/62/01/622286201.db2.gz XZFYCNKPWWERSI-GJZGRUSLSA-N 1 0 307.457 3.417 20 10 DGCDRO CC[S@](=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765935493 622294925 /nfs/dbraw/zinc/29/49/25/622294925.db2.gz GGWKHRUZTXWTAY-VFNWGFHPSA-N 1 0 308.491 3.096 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCNc2ncccn2)cc1 ZINC000766515156 622335665 /nfs/dbraw/zinc/33/56/65/622335665.db2.gz AOFMBLYAJKVAEQ-OAHLLOKOSA-N 1 0 313.449 3.086 20 10 DGCDRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000766603056 622341496 /nfs/dbraw/zinc/34/14/96/622341496.db2.gz MDJIYMHIRLLKTJ-KBRIMQKVSA-N 1 0 306.475 3.068 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000789771020 625563122 /nfs/dbraw/zinc/56/31/22/625563122.db2.gz ZRCQZGANWQRQFI-CYBMUJFWSA-N 1 0 304.777 3.094 20 10 DGCDRO OCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000768139157 622441507 /nfs/dbraw/zinc/44/15/07/622441507.db2.gz WSQLLLSGYPRFPM-UHFFFAOYSA-N 1 0 302.462 3.414 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cccc(OC)c2)c1 ZINC000768162372 622442585 /nfs/dbraw/zinc/44/25/85/622442585.db2.gz CWMBKJZEOOMUJJ-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO COc1cc(C[N@H+](C)CCOc2ccc(F)cc2)c(O)cc1C ZINC000768441546 622456074 /nfs/dbraw/zinc/45/60/74/622456074.db2.gz JNTCNKYJJKTBFJ-UHFFFAOYSA-N 1 0 319.376 3.359 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccsc1)[C@H](O)CO2 ZINC000768439703 622456232 /nfs/dbraw/zinc/45/62/32/622456232.db2.gz MRXKUCYNPBEAKL-GOEBONIOSA-N 1 0 317.410 3.217 20 10 DGCDRO COc1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(O)cc1C ZINC000768442377 622456353 /nfs/dbraw/zinc/45/63/53/622456353.db2.gz TZBNWBACFBFOGI-IBGZPJMESA-N 1 0 313.397 3.283 20 10 DGCDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444546 622456372 /nfs/dbraw/zinc/45/63/72/622456372.db2.gz CNFFTPZZKHGOHG-NUTKFTJISA-N 1 0 305.418 3.219 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1OC ZINC000768441543 622456444 /nfs/dbraw/zinc/45/64/44/622456444.db2.gz JKWHIROKAUQZAI-OAHLLOKOSA-N 1 0 314.385 3.142 20 10 DGCDRO CCCCC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462145 622458168 /nfs/dbraw/zinc/45/81/68/622458168.db2.gz JXWSSEGVQGHWAD-YOEHRIQHSA-N 1 0 305.418 3.363 20 10 DGCDRO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000768530577 622462384 /nfs/dbraw/zinc/46/23/84/622462384.db2.gz LYHRKHUSGATHEM-INIZCTEOSA-N 1 0 311.381 3.458 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cc(C)ccc2O)cc(OC)c1 ZINC000768536243 622462954 /nfs/dbraw/zinc/46/29/54/622462954.db2.gz GFNBQSIEOCZYNR-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1cccc(-c2n[nH]cc2C[N@H+](C)Cc2ccccc2O)c1 ZINC000768872299 622482005 /nfs/dbraw/zinc/48/20/05/622482005.db2.gz GSLXLKBSHMWMMH-UHFFFAOYSA-N 1 0 323.396 3.423 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1 ZINC000768891173 622483445 /nfs/dbraw/zinc/48/34/45/622483445.db2.gz BNKRHGUGCVICRL-OAHLLOKOSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1cccc(O)c1CN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000768913119 622484979 /nfs/dbraw/zinc/48/49/79/622484979.db2.gz FNZKBBRRKADQDI-JYJNAYRXSA-N 1 0 318.461 3.238 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(OC)c(O)c2)c(O)c1 ZINC000769018667 622492654 /nfs/dbraw/zinc/49/26/54/622492654.db2.gz XAZMPIANILIZAE-UHFFFAOYSA-N 1 0 317.385 3.137 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCN(C)c3ccccc3C2)c(O)c1 ZINC000769319937 622517188 /nfs/dbraw/zinc/51/71/88/622517188.db2.gz FUXFQTODFHPYSR-UHFFFAOYSA-N 1 0 312.413 3.243 20 10 DGCDRO CCOc1ccc(C[N@H+](C)C2(C(=O)OC)CCCCC2)c(O)c1 ZINC000769401283 622524492 /nfs/dbraw/zinc/52/44/92/622524492.db2.gz FRNDUPMCKYRXJC-UHFFFAOYSA-N 1 0 321.417 3.099 20 10 DGCDRO C[N@H+](CCn1cccn1)Cc1cc(-c2ccccc2)ccc1O ZINC000769404897 622525128 /nfs/dbraw/zinc/52/51/28/622525128.db2.gz USMPEQOCTCWCQX-UHFFFAOYSA-N 1 0 307.397 3.388 20 10 DGCDRO COC(=O)C1([N@H+](C)Cc2cc(C)c(C)cc2O)CCCCC1 ZINC000769402154 622525172 /nfs/dbraw/zinc/52/51/72/622525172.db2.gz VXAJXRTYXFYSTL-UHFFFAOYSA-N 1 0 305.418 3.317 20 10 DGCDRO CCOc1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c(O)c1 ZINC000769424932 622527125 /nfs/dbraw/zinc/52/71/25/622527125.db2.gz AJNIUSMARUSOKG-SFHVURJKSA-N 1 0 315.413 3.346 20 10 DGCDRO CCCN(CCC)c1ccc(CN2CCO[C@H](COC)C2)cc1 ZINC000769461208 622529717 /nfs/dbraw/zinc/52/97/17/622529717.db2.gz RDFRGTZWLCHMCH-IBGZPJMESA-N 1 0 320.477 3.160 20 10 DGCDRO CCOc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c(O)c1 ZINC000769485244 622532780 /nfs/dbraw/zinc/53/27/80/622532780.db2.gz MBBLZHNSWOOMRU-UHFFFAOYSA-N 1 0 301.308 3.485 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)cc1F ZINC000769525310 622537966 /nfs/dbraw/zinc/53/79/66/622537966.db2.gz HIRCIJPQWHVHPH-GOSISDBHSA-N 1 0 322.424 3.057 20 10 DGCDRO CCOc1ccc(C[NH2+]CCSCC(F)(F)F)c(O)c1 ZINC000769687874 622550068 /nfs/dbraw/zinc/55/00/68/622550068.db2.gz CDILPCPXCJUYGA-UHFFFAOYSA-N 1 0 309.353 3.176 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000769934645 622578602 /nfs/dbraw/zinc/57/86/02/622578602.db2.gz NFJGKELLXPGMSW-KRWDZBQOSA-N 1 0 304.459 3.418 20 10 DGCDRO c1cc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc2c1OCC2 ZINC000769934786 622578878 /nfs/dbraw/zinc/57/88/78/622578878.db2.gz XBNRRCRKZKQSDD-UHFFFAOYSA-N 1 0 309.365 3.129 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1F ZINC000770292662 622618475 /nfs/dbraw/zinc/61/84/75/622618475.db2.gz NWZRPDGJWHXJIU-QAPCUYQASA-N 1 0 308.441 3.265 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000770375002 622627033 /nfs/dbraw/zinc/62/70/33/622627033.db2.gz PPTGMSRIDAEECC-GDBMZVCRSA-N 1 0 305.418 3.039 20 10 DGCDRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccccc1O ZINC000770511094 622641407 /nfs/dbraw/zinc/64/14/07/622641407.db2.gz ZVLOXKYWKMCZKF-UHFFFAOYSA-N 1 0 319.376 3.059 20 10 DGCDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000123838577 622720527 /nfs/dbraw/zinc/72/05/27/622720527.db2.gz NAWMRFNJJSVTBH-KDOFPFPSSA-N 1 0 308.441 3.484 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCOC(C)(C)C3)C2)cc1 ZINC000872079643 622793799 /nfs/dbraw/zinc/79/37/99/622793799.db2.gz JVOMEQFHABNARE-CVEARBPZSA-N 1 0 318.461 3.069 20 10 DGCDRO C[C@@H]([N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000771787955 622796363 /nfs/dbraw/zinc/79/63/63/622796363.db2.gz WAOGBTXMRBJRSB-OAHLLOKOSA-N 1 0 319.493 3.077 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1O ZINC000872111279 622813437 /nfs/dbraw/zinc/81/34/37/622813437.db2.gz CAXZNUJAUDJVSI-NWDGAFQWSA-N 1 0 311.809 3.348 20 10 DGCDRO c1ccc([C@H]2CC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000771939304 622820965 /nfs/dbraw/zinc/82/09/65/622820965.db2.gz PUHFCWNJXOGHEB-HXUWFJFHSA-N 1 0 308.425 3.470 20 10 DGCDRO CCC1([NH+](C)C)CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000872668383 622949767 /nfs/dbraw/zinc/94/97/67/622949767.db2.gz FYDZEMPPRSSNPT-UHFFFAOYSA-N 1 0 306.450 3.015 20 10 DGCDRO COc1ccc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc1C ZINC000772950895 622956841 /nfs/dbraw/zinc/95/68/41/622956841.db2.gz CYUAPPNFMGVTSC-UHFFFAOYSA-N 1 0 306.450 3.034 20 10 DGCDRO CCCCCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773014884 622967329 /nfs/dbraw/zinc/96/73/29/622967329.db2.gz MNPOLYWJPCGECR-MRXNPFEDSA-N 1 0 319.493 3.442 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)cc1C ZINC000872813602 622984240 /nfs/dbraw/zinc/98/42/40/622984240.db2.gz LSJDXCBGOQWILE-AWEZNQCLSA-N 1 0 303.324 3.162 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000773107205 622984738 /nfs/dbraw/zinc/98/47/38/622984738.db2.gz MEPBJQTUISJLGJ-INIZCTEOSA-N 1 0 318.461 3.211 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCCOC2CCOCC2)cc1C ZINC000873060203 623027585 /nfs/dbraw/zinc/02/75/85/623027585.db2.gz FEJOMIXAMATSNK-UHFFFAOYSA-N 1 0 321.461 3.459 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)CO[C@H]2CCOC2)cc1C ZINC000873074268 623031195 /nfs/dbraw/zinc/03/11/95/623031195.db2.gz KSICRADSPSCWDT-WBVHZDCISA-N 1 0 307.434 3.067 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@]2(CCOC)CCOC2)cc1C ZINC000873115360 623038986 /nfs/dbraw/zinc/03/89/86/623038986.db2.gz MFKXYGFRZFRISY-SFHVURJKSA-N 1 0 307.434 3.069 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)cc1C ZINC000873119424 623040261 /nfs/dbraw/zinc/04/02/61/623040261.db2.gz GNUYCQKNRMKFHV-OAQYLSRUSA-N 1 0 309.475 3.175 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](CCO)CCc2ccccc2)cc1 ZINC000773753788 623067618 /nfs/dbraw/zinc/06/76/18/623067618.db2.gz AGIBDULSYONOHO-UHFFFAOYSA-N 1 0 312.457 3.180 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](CC)[C@H](O)c2ccccc2)c1O ZINC000873193814 623069049 /nfs/dbraw/zinc/06/90/49/623069049.db2.gz ONIRJUYPATVGIR-SJLPKXTDSA-N 1 0 315.413 3.393 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1[O-] ZINC000873236614 623087043 /nfs/dbraw/zinc/08/70/43/623087043.db2.gz YLFCYTXKOXHZCD-GFCCVEGCSA-N 1 0 300.377 3.028 20 10 DGCDRO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774483317 623151191 /nfs/dbraw/zinc/15/11/91/623151191.db2.gz JQNTXZDHFDTHIE-HUUCEWRRSA-N 1 0 305.466 3.098 20 10 DGCDRO C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000774498025 623151785 /nfs/dbraw/zinc/15/17/85/623151785.db2.gz PVWYOWUOVUFYMB-LLVKDONJSA-N 1 0 310.388 3.195 20 10 DGCDRO COc1c(O)c(C[NH2+]Cc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000774943527 623210171 /nfs/dbraw/zinc/21/01/71/623210171.db2.gz VAPTXDJKKKNSNB-UHFFFAOYSA-N 1 0 322.748 3.252 20 10 DGCDRO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CC1CCOCC1 ZINC000124763186 623228506 /nfs/dbraw/zinc/22/85/06/623228506.db2.gz OGLVAONRURZWKB-UHFFFAOYSA-N 1 0 307.434 3.254 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1O ZINC000775136632 623234926 /nfs/dbraw/zinc/23/49/26/623234926.db2.gz MJSKRSOGEJGZQB-OAHLLOKOSA-N 1 0 324.424 3.479 20 10 DGCDRO CCCN(CCCNC(=O)OC(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000775141178 623235113 /nfs/dbraw/zinc/23/51/13/623235113.db2.gz XQXHNVKIVOWBMC-UHFFFAOYSA-N 1 0 321.465 3.277 20 10 DGCDRO C[C@@H]([NH2+]Cc1cnc(N(C)C)s1)c1ccc(N(C)C)cc1 ZINC000775365126 623260292 /nfs/dbraw/zinc/26/02/92/623260292.db2.gz UIEBJYTXIDBRND-GFCCVEGCSA-N 1 0 304.463 3.126 20 10 DGCDRO C[C@H]([NH2+]Cc1cnc(N(C)C)s1)c1ccc(N(C)C)cc1 ZINC000775365127 623260507 /nfs/dbraw/zinc/26/05/07/623260507.db2.gz UIEBJYTXIDBRND-LBPRGKRZSA-N 1 0 304.463 3.126 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)nc3ccccn32)c1 ZINC000775373073 623261097 /nfs/dbraw/zinc/26/10/97/623261097.db2.gz LXEOLOOTFVARAL-LBPRGKRZSA-N 1 0 311.385 3.208 20 10 DGCDRO CC[C@H]([NH2+]CC[C@@H](C)[S@@](C)=O)c1cc(Cl)ccc1O ZINC000775522758 623284017 /nfs/dbraw/zinc/28/40/17/623284017.db2.gz ZPKNZYJVECBROV-KPGGICDASA-N 1 0 303.855 3.243 20 10 DGCDRO CC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000775524245 623284069 /nfs/dbraw/zinc/28/40/69/623284069.db2.gz RAJWRXFUEKMTRR-KOLCDFICSA-N 1 0 311.731 3.400 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O ZINC000775526081 623284937 /nfs/dbraw/zinc/28/49/37/623284937.db2.gz IXJXSBXHNBXLSR-GXTWGEPZSA-N 1 0 324.852 3.486 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)COCCOC)c1cc(Cl)ccc1O ZINC000775528381 623285079 /nfs/dbraw/zinc/28/50/79/623285079.db2.gz XSNXIMFZBSTHIQ-SMDDNHRTSA-N 1 0 301.814 3.138 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc(Cl)ccc1O ZINC000775527765 623285183 /nfs/dbraw/zinc/28/51/83/623285183.db2.gz UMXVATQIYICFHB-FDEJFUCISA-N 1 0 322.836 3.096 20 10 DGCDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000775579837 623292516 /nfs/dbraw/zinc/29/25/16/623292516.db2.gz PQSUIANVDXXLES-ZNMIVQPWSA-N 1 0 320.433 3.218 20 10 DGCDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000775579680 623292669 /nfs/dbraw/zinc/29/26/69/623292669.db2.gz PQSUIANVDXXLES-KFWWJZLASA-N 1 0 320.433 3.218 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCCN(C(=O)OC)C1)c1ccccc1O ZINC000775579984 623292675 /nfs/dbraw/zinc/29/26/75/623292675.db2.gz RQHHXCHVSCQGFJ-YCPHGPKFSA-N 1 0 320.433 3.300 20 10 DGCDRO Cc1cc(Cl)cc(C[N@H+](CCO)CCc2ccccc2)c1O ZINC000775696936 623316249 /nfs/dbraw/zinc/31/62/49/623316249.db2.gz RHYJEDUVVNYOMB-UHFFFAOYSA-N 1 0 319.832 3.391 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c1O ZINC000775724652 623319994 /nfs/dbraw/zinc/31/99/94/623319994.db2.gz JGXOIMLXQLXRNR-HNNXBMFYSA-N 1 0 318.804 3.402 20 10 DGCDRO Cc1cccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c1O ZINC000775769035 623327952 /nfs/dbraw/zinc/32/79/52/623327952.db2.gz YLFDROAOSWLKGD-UHFFFAOYSA-N 1 0 324.424 3.226 20 10 DGCDRO CC(C)N(C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000775833347 623339614 /nfs/dbraw/zinc/33/96/14/623339614.db2.gz BWVOWYAUNBGXNT-HNNXBMFYSA-N 1 0 305.466 3.049 20 10 DGCDRO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000776012676 623363798 /nfs/dbraw/zinc/36/37/98/623363798.db2.gz IPWVUHSOKOGNNH-GXSJLCMTSA-N 1 0 317.307 3.284 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cc1OC ZINC000776024891 623366246 /nfs/dbraw/zinc/36/62/46/623366246.db2.gz ZLJUZWPLYGTPJE-FZMZJTMJSA-N 1 0 317.385 3.416 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2c[nH]c3cc(F)ccc23)c1 ZINC000776150136 623382844 /nfs/dbraw/zinc/38/28/44/623382844.db2.gz MBOAUXUQAJOZOF-UHFFFAOYSA-N 1 0 314.360 3.354 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC000776156601 623384454 /nfs/dbraw/zinc/38/44/54/623384454.db2.gz LUCQJVYAWGSTQX-QZTJIDSGSA-N 1 0 302.462 3.498 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1OC ZINC000776174548 623390191 /nfs/dbraw/zinc/39/01/91/623390191.db2.gz FKFMGALWHBEZLI-GZBFAFLISA-N 1 0 305.418 3.468 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](Cc3ccccc3)C1)CCC2 ZINC000776294738 623408069 /nfs/dbraw/zinc/40/80/69/623408069.db2.gz VCWQCIOHNNCGRP-FQEVSTJZSA-N 1 0 323.436 3.324 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000776294752 623408099 /nfs/dbraw/zinc/40/80/99/623408099.db2.gz VHAZSSFJBGOICP-IBGZPJMESA-N 1 0 311.425 3.453 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1C ZINC000776765975 623460496 /nfs/dbraw/zinc/46/04/96/623460496.db2.gz MXURVRPTKTXAMD-IBGZPJMESA-N 1 0 315.388 3.242 20 10 DGCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(C)ccc2O)C1 ZINC000776806068 623465699 /nfs/dbraw/zinc/46/56/99/623465699.db2.gz BPAMQSHTLTYZQH-LSDHHAIUSA-N 1 0 320.433 3.047 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000777243517 623508310 /nfs/dbraw/zinc/50/83/10/623508310.db2.gz UNRGOWUJVBHIAM-CQSZACIVSA-N 1 0 310.388 3.441 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccnn2-c2ccccc2)cc1F ZINC000790469222 625656549 /nfs/dbraw/zinc/65/65/49/625656549.db2.gz RWQFOYQMYYJLNK-UHFFFAOYSA-N 1 0 324.403 3.367 20 10 DGCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)sn1 ZINC000876531354 623635696 /nfs/dbraw/zinc/63/56/96/623635696.db2.gz DABCFQKPSSZOLD-OAHLLOKOSA-N 1 0 318.442 3.338 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c1 ZINC000129507897 625664806 /nfs/dbraw/zinc/66/48/06/625664806.db2.gz QHKLSPGBXQXUPW-UHFFFAOYSA-N 1 0 318.461 3.265 20 10 DGCDRO CCOC(=O)N1CCC(C)(C[N@H+](C)Cc2ccccc2O)CC1 ZINC000876616131 623661409 /nfs/dbraw/zinc/66/14/09/623661409.db2.gz SWNOHTJODPCLAT-UHFFFAOYSA-N 1 0 320.433 3.083 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000876657800 623672392 /nfs/dbraw/zinc/67/23/92/623672392.db2.gz RRKYMOUGSWJMOR-CVEARBPZSA-N 1 0 302.462 3.268 20 10 DGCDRO CC[N@H+](Cc1ccoc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876677828 623679360 /nfs/dbraw/zinc/67/93/60/623679360.db2.gz VVBXHPLOJSHOFO-UHFFFAOYSA-N 1 0 314.429 3.263 20 10 DGCDRO CC1(C)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876683961 623681303 /nfs/dbraw/zinc/68/13/03/623681303.db2.gz ZIVAFLLTTPRPAY-UHFFFAOYSA-N 1 0 302.462 3.270 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000876725821 623689771 /nfs/dbraw/zinc/68/97/71/623689771.db2.gz YMVIBLYNVKPEFD-UHFFFAOYSA-N 1 0 314.473 3.414 20 10 DGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876748068 623695647 /nfs/dbraw/zinc/69/56/47/623695647.db2.gz ULGVRTPLDXSCOZ-RDJZCZTQSA-N 1 0 302.462 3.268 20 10 DGCDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876806662 623711415 /nfs/dbraw/zinc/71/14/15/623711415.db2.gz RJRWXCISHBHYAP-QGZVFWFLSA-N 1 0 302.462 3.126 20 10 DGCDRO COc1ccc(OC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000778997070 623717629 /nfs/dbraw/zinc/71/76/29/623717629.db2.gz ZXCZIEGKHFARPB-UHFFFAOYSA-N 1 0 313.397 3.444 20 10 DGCDRO CC[N@@H+](Cc1cc(F)ccc1O)C[C@H]1COc2ccccc2O1 ZINC000778994924 623717887 /nfs/dbraw/zinc/71/78/87/623717887.db2.gz LIVORIBPCLJMIE-HNNXBMFYSA-N 1 0 317.360 3.193 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc2c(cc1O)CCCC2 ZINC000779065650 623726634 /nfs/dbraw/zinc/72/66/34/623726634.db2.gz NIIHTIUEYCAFNR-CJNGLKHVSA-N 1 0 311.429 3.133 20 10 DGCDRO C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cc(F)ccc1O ZINC000779081824 623728079 /nfs/dbraw/zinc/72/80/79/623728079.db2.gz DFIXNBBKECMBMD-GFCCVEGCSA-N 1 0 314.360 3.353 20 10 DGCDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2cc(F)ccc2O)n1 ZINC000779105356 623729794 /nfs/dbraw/zinc/72/97/94/623729794.db2.gz WMVLPAZYVZCRHH-UHFFFAOYSA-N 1 0 304.365 3.393 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c(O)c1 ZINC000876881413 623734896 /nfs/dbraw/zinc/73/48/96/623734896.db2.gz YMFAFGLSKVQQEM-UHFFFAOYSA-N 1 0 324.424 3.226 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H](C(N)=O)C1 ZINC000779204461 623741723 /nfs/dbraw/zinc/74/17/23/623741723.db2.gz SNUXNQGTOZJVAE-RDTXWAMCSA-N 1 0 324.424 3.145 20 10 DGCDRO CCC[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)OC ZINC000876942950 623750598 /nfs/dbraw/zinc/75/05/98/623750598.db2.gz JUMUCXCEYQLBCO-QGZVFWFLSA-N 1 0 308.491 3.145 20 10 DGCDRO COc1cc(OC)c(C[NH2+]Cc2ccc(C)cc2O)c(OC)c1 ZINC000876943467 623751100 /nfs/dbraw/zinc/75/11/00/623751100.db2.gz DFJSFWAPJUBUTI-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO CCN(CC)[C@@H](C[NH2+]Cc1c(C)cccc1O)c1ccco1 ZINC000876988284 623760405 /nfs/dbraw/zinc/76/04/05/623760405.db2.gz BEDHUAYKUGCFHW-INIZCTEOSA-N 1 0 302.418 3.466 20 10 DGCDRO COC(=O)c1csc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000876988468 623760532 /nfs/dbraw/zinc/76/05/32/623760532.db2.gz HJLOMSFNLIGGKM-UHFFFAOYSA-N 1 0 322.405 3.030 20 10 DGCDRO [O-]c1c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)ccc(F)c1F ZINC000876989913 623761040 /nfs/dbraw/zinc/76/10/40/623761040.db2.gz KFQXRVMMIGLLLF-UHFFFAOYSA-N 1 0 324.415 3.415 20 10 DGCDRO Cc1ccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c(O)c1 ZINC000877009357 623765189 /nfs/dbraw/zinc/76/51/89/623765189.db2.gz YAGHYNIDADQAAZ-UHFFFAOYSA-N 1 0 324.424 3.160 20 10 DGCDRO Cc1nnsc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000877024534 623769192 /nfs/dbraw/zinc/76/91/92/623769192.db2.gz GWAIJRNIQLLQJD-UHFFFAOYSA-N 1 0 316.474 3.373 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1F ZINC000779432112 623769355 /nfs/dbraw/zinc/76/93/55/623769355.db2.gz KOWPMHVDHRIWMS-WMLDXEAASA-N 1 0 308.441 3.121 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)c(O)c1 ZINC000877042084 623773837 /nfs/dbraw/zinc/77/38/37/623773837.db2.gz MGFZQALSIDRXOO-LJQANCHMSA-N 1 0 315.413 3.311 20 10 DGCDRO COCCCOc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877112085 623793346 /nfs/dbraw/zinc/79/33/46/623793346.db2.gz ORFIARKZEGYMER-UHFFFAOYSA-N 1 0 315.413 3.406 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)n(C)n1 ZINC000790602355 625676474 /nfs/dbraw/zinc/67/64/74/625676474.db2.gz URGFJIMNLLKUQB-UHFFFAOYSA-N 1 0 307.397 3.391 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000877122019 623795670 /nfs/dbraw/zinc/79/56/70/623795670.db2.gz FJKBABNMMXNUMW-ZSEKCTLFSA-N 1 0 303.427 3.289 20 10 DGCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2O)c2ccccc21 ZINC000877121597 623796168 /nfs/dbraw/zinc/79/61/68/623796168.db2.gz WVJBNFDIVRSEMW-KRWDZBQOSA-N 1 0 310.397 3.288 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)c(O)c1 ZINC000790637267 625681029 /nfs/dbraw/zinc/68/10/29/625681029.db2.gz WFWUTCGLFCZMLQ-UHFFFAOYSA-N 1 0 324.327 3.077 20 10 DGCDRO CSCCCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877421334 623875358 /nfs/dbraw/zinc/87/53/58/623875358.db2.gz CCLXHSSKAFTVPW-UHFFFAOYSA-N 1 0 322.518 3.271 20 10 DGCDRO CCN(CC[NH2+]Cc1c(C)cccc1O)CCC(F)(F)F ZINC000877474988 623899658 /nfs/dbraw/zinc/89/96/58/623899658.db2.gz BKWDLILIQDFEGO-UHFFFAOYSA-N 1 0 304.356 3.065 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000877476510 623901234 /nfs/dbraw/zinc/90/12/34/623901234.db2.gz GJNGSYMHHCWZQS-HKUYNNGSSA-N 1 0 315.388 3.096 20 10 DGCDRO Cc1noc(C[C@@H]([NH2+]Cc2ccc(C)cc2O)c2ccccc2)n1 ZINC000877478820 623902000 /nfs/dbraw/zinc/90/20/00/623902000.db2.gz QDVXFGWNUNNGIY-QGZVFWFLSA-N 1 0 323.396 3.466 20 10 DGCDRO COCC[N@H+](Cc1scnc1C)Cc1c(C)cccc1O ZINC000877482472 623904533 /nfs/dbraw/zinc/90/45/33/623904533.db2.gz FXIKSWYVUZBMDA-UHFFFAOYSA-N 1 0 306.431 3.114 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000877483781 623905511 /nfs/dbraw/zinc/90/55/11/623905511.db2.gz PKVCCNFBGJONKT-UHFFFAOYSA-N 1 0 316.376 3.278 20 10 DGCDRO COCCCOc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877514333 623918283 /nfs/dbraw/zinc/91/82/83/623918283.db2.gz KCKWZFDSESQFAR-UHFFFAOYSA-N 1 0 315.413 3.406 20 10 DGCDRO COc1cccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1O ZINC000877526530 623924264 /nfs/dbraw/zinc/92/42/64/623924264.db2.gz SHDIGNMWJCJTIB-UHFFFAOYSA-N 1 0 316.357 3.216 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2)c1O ZINC000877525620 623925044 /nfs/dbraw/zinc/92/50/44/623925044.db2.gz JOJIZRLNOWHFNA-ACJLOTCBSA-N 1 0 301.386 3.267 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cnc(C)nc2C)c1 ZINC000877532043 623928087 /nfs/dbraw/zinc/92/80/87/623928087.db2.gz BYHHNRNRMUCTNS-QWRGUYRKSA-N 1 0 301.390 3.219 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3CC4(C3)CCCC4)cc2)CC1 ZINC000877533909 623929138 /nfs/dbraw/zinc/92/91/38/623929138.db2.gz UTNHKKZDBXEZIR-UHFFFAOYSA-N 1 0 300.446 3.024 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@]2(C)OCCc3sccc32)c(O)c1 ZINC000877539459 623932357 /nfs/dbraw/zinc/93/23/57/623932357.db2.gz NMMKTCWDQPEJAS-KRWDZBQOSA-N 1 0 303.427 3.340 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3CCC(C4CC4)CC3)cc2)CC1 ZINC000877545627 623935817 /nfs/dbraw/zinc/93/58/17/623935817.db2.gz LFQKWGALRKJAOM-UHFFFAOYSA-N 1 0 314.473 3.270 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000877560850 623941706 /nfs/dbraw/zinc/94/17/06/623941706.db2.gz BWDWXOWUWZOEDU-MJGOQNOKSA-N 1 0 315.388 3.001 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CC(n2cccn2)C1 ZINC000877592248 623954734 /nfs/dbraw/zinc/95/47/34/623954734.db2.gz MXBKJLYURDPHQY-DMKPSLHHSA-N 1 0 312.461 3.182 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@H]3CC3(F)F)C2)cc1 ZINC000877598389 623957709 /nfs/dbraw/zinc/95/77/09/623957709.db2.gz MUHLNYHNCAWGCD-XJKCOSOUSA-N 1 0 310.388 3.155 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(O)c1 ZINC000877600314 623958026 /nfs/dbraw/zinc/95/80/26/623958026.db2.gz MGKITUMNZSNUKT-GOSISDBHSA-N 1 0 301.430 3.482 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000877602948 623959351 /nfs/dbraw/zinc/95/93/51/623959351.db2.gz AJSYMOAWVCFUGJ-ZIAGYGMSSA-N 1 0 322.449 3.482 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCCOC1 ZINC000780713247 623970885 /nfs/dbraw/zinc/97/08/85/623970885.db2.gz BJTIOAKPKQXCDL-NVXWUHKLSA-N 1 0 320.502 3.145 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000877637554 623972588 /nfs/dbraw/zinc/97/25/88/623972588.db2.gz WECCKGMDJKKRES-KURKYZTESA-N 1 0 314.473 3.174 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000877662923 623982581 /nfs/dbraw/zinc/98/25/81/623982581.db2.gz ZPPKDXGOMUPLBK-WBVHZDCISA-N 1 0 323.314 3.429 20 10 DGCDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000780791975 623985740 /nfs/dbraw/zinc/98/57/40/623985740.db2.gz DMDWHDPCIYZJJD-MWLCHTKSSA-N 1 0 317.307 3.284 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@]34C[C@H]3CCCC4)cc2)CC1 ZINC000877686724 623992925 /nfs/dbraw/zinc/99/29/25/623992925.db2.gz VMLMGWBLTFAPIX-VQIMIIECSA-N 1 0 300.446 3.070 20 10 DGCDRO Cc1nc2ccccc2nc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000781058224 624015361 /nfs/dbraw/zinc/01/53/61/624015361.db2.gz XCVOVGDTEDWORP-UHFFFAOYSA-N 1 0 306.413 3.294 20 10 DGCDRO COc1ccccc1[C@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000877754684 624021102 /nfs/dbraw/zinc/02/11/02/624021102.db2.gz PJYUFUFVMDXCFG-GOSISDBHSA-N 1 0 313.397 3.283 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1O ZINC000877810988 624043669 /nfs/dbraw/zinc/04/36/69/624043669.db2.gz CIYQIZFVUQZXDF-MRXNPFEDSA-N 1 0 305.805 3.047 20 10 DGCDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC000877817107 624049084 /nfs/dbraw/zinc/04/90/84/624049084.db2.gz QHWVFOUSZCULPS-UHFFFAOYSA-N 1 0 314.360 3.048 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc[nH]c(=O)c1 ZINC000877922869 624093813 /nfs/dbraw/zinc/09/38/13/624093813.db2.gz WERNFWIYDVGXDL-UHFFFAOYSA-N 1 0 311.429 3.410 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)cc1F ZINC000782534813 624261180 /nfs/dbraw/zinc/26/11/80/624261180.db2.gz IIIGOEKTBLMDFY-SFHVURJKSA-N 1 0 308.441 3.313 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1O ZINC000783503104 624359005 /nfs/dbraw/zinc/35/90/05/624359005.db2.gz GQNWHHZELUSXGM-PBHICJAKSA-N 1 0 312.413 3.262 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1O ZINC000805747643 624366307 /nfs/dbraw/zinc/36/63/07/624366307.db2.gz DPHJJQONTOSEJB-WFASDCNBSA-N 1 0 305.805 3.300 20 10 DGCDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC000784622543 624560209 /nfs/dbraw/zinc/56/02/09/624560209.db2.gz ATWNIUJDVJKJQU-SFHVURJKSA-N 1 0 310.441 3.408 20 10 DGCDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1c(O)cccc1OC)C2 ZINC000784623551 624560320 /nfs/dbraw/zinc/56/03/20/624560320.db2.gz NXWWWDYINRFAMD-HNNXBMFYSA-N 1 0 313.397 3.057 20 10 DGCDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879647704 624620924 /nfs/dbraw/zinc/62/09/24/624620924.db2.gz ITBYCNKAXDQJPK-KFWWJZLASA-N 1 0 304.434 3.222 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1O ZINC000879648547 624621522 /nfs/dbraw/zinc/62/15/22/624621522.db2.gz SWICOOPWZOVMNF-JLTOFOAXSA-N 1 0 324.424 3.310 20 10 DGCDRO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879650015 624622550 /nfs/dbraw/zinc/62/25/50/624622550.db2.gz XUPQGELEUCXTKD-CYBMUJFWSA-N 1 0 314.385 3.080 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccccc1O ZINC000879650063 624622886 /nfs/dbraw/zinc/62/28/86/624622886.db2.gz ZIVFGSXTDRHIGW-TZMCWYRMSA-N 1 0 321.804 3.136 20 10 DGCDRO C[C@@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1ccccc1O ZINC000879650266 624622947 /nfs/dbraw/zinc/62/29/47/624622947.db2.gz SMYDDFCCXJTVGD-LLVKDONJSA-N 1 0 314.414 3.100 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NCCC1=CCCCC1 ZINC000879648728 624622962 /nfs/dbraw/zinc/62/29/62/624622962.db2.gz AVPRYRHQSNPAIF-HUUCEWRRSA-N 1 0 316.445 3.438 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)c1ccccc1O ZINC000879650079 624623131 /nfs/dbraw/zinc/62/31/31/624623131.db2.gz ZXCQMSJMXKTYFX-BARDWOONSA-N 1 0 304.434 3.221 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000879651344 624624296 /nfs/dbraw/zinc/62/42/96/624624296.db2.gz RRZVNLWXYBDNPS-DZKIICNBSA-N 1 0 304.434 3.080 20 10 DGCDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879651436 624624413 /nfs/dbraw/zinc/62/44/13/624624413.db2.gz VRJUHOXNCRRVID-QWHCGFSZSA-N 1 0 314.385 3.079 20 10 DGCDRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)sc1C ZINC000879651281 624624793 /nfs/dbraw/zinc/62/47/93/624624793.db2.gz PXCNXJZHDWYRFN-WDEREUQCSA-N 1 0 319.430 3.143 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccccc1O ZINC000879653958 624626621 /nfs/dbraw/zinc/62/66/21/624626621.db2.gz ZAFJIQYJEYZTQL-YQQAZPJKSA-N 1 0 316.445 3.224 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N[C@H]1CCCC[C@H]1C ZINC000879653369 624626638 /nfs/dbraw/zinc/62/66/38/624626638.db2.gz PITCEMCBUKOSQC-HOSILWTGSA-N 1 0 304.434 3.126 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1CCc2ccccc21 ZINC000879652805 624626855 /nfs/dbraw/zinc/62/68/55/624626855.db2.gz IPNWASAOSJRRLV-KBPBESRZSA-N 1 0 310.397 3.021 20 10 DGCDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879652835 624626889 /nfs/dbraw/zinc/62/68/89/624626889.db2.gz ITBYCNKAXDQJPK-ZNMIVQPWSA-N 1 0 304.434 3.222 20 10 DGCDRO Cc1cccc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000785984462 624775394 /nfs/dbraw/zinc/77/53/94/624775394.db2.gz FKKZECOSGSCHGR-KRWDZBQOSA-N 1 0 316.445 3.114 20 10 DGCDRO CCN(C)c1ccc(CN2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000880473617 624964648 /nfs/dbraw/zinc/96/46/48/624964648.db2.gz KJMNLHXJXLIUOU-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)cc1 ZINC000786939996 624966351 /nfs/dbraw/zinc/96/63/51/624966351.db2.gz XRTWUEPGWDIANS-OAHLLOKOSA-N 1 0 313.445 3.001 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)cc1 ZINC000786939994 624966359 /nfs/dbraw/zinc/96/63/59/624966359.db2.gz XRTWUEPGWDIANS-HNNXBMFYSA-N 1 0 313.445 3.001 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)C2CCOCC2)c1O ZINC000787331026 625001562 /nfs/dbraw/zinc/00/15/62/625001562.db2.gz COQYROQOJHHSIA-UHFFFAOYSA-N 1 0 313.825 3.349 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c1 ZINC000788257665 625105893 /nfs/dbraw/zinc/10/58/93/625105893.db2.gz CHMYTBAECYOXCC-CJNGLKHVSA-N 1 0 317.433 3.225 20 10 DGCDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000788582622 625220039 /nfs/dbraw/zinc/22/00/39/625220039.db2.gz HTGINTQONVLTAO-SFHVURJKSA-N 1 0 312.461 3.080 20 10 DGCDRO C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788692751 625244825 /nfs/dbraw/zinc/24/48/25/625244825.db2.gz PURYQPKLMQOKQM-LLVKDONJSA-N 1 0 314.351 3.324 20 10 DGCDRO CCn1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1=O ZINC000788795597 625267916 /nfs/dbraw/zinc/26/79/16/625267916.db2.gz MLFFDMGOTGFNME-CQSZACIVSA-N 1 0 300.402 3.041 20 10 DGCDRO Oc1cccc(Cl)c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000131165488 625958895 /nfs/dbraw/zinc/95/88/95/625958895.db2.gz OCLUALDBOSNEFW-CQSZACIVSA-N 1 0 308.853 3.353 20 10 DGCDRO C[C@@H](O)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796308384 626037582 /nfs/dbraw/zinc/03/75/82/626037582.db2.gz QFUYPCBLHCUELR-MRXNPFEDSA-N 1 0 310.441 3.110 20 10 DGCDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796343082 626040406 /nfs/dbraw/zinc/04/04/06/626040406.db2.gz PONFNXVEQKXDCD-SJORKVTESA-N 1 0 324.468 3.498 20 10 DGCDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000796498808 626056606 /nfs/dbraw/zinc/05/66/06/626056606.db2.gz YDGGZXFYOMRKQJ-AEFFLSMTSA-N 1 0 302.462 3.439 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)cc1C ZINC000796526175 626058914 /nfs/dbraw/zinc/05/89/14/626058914.db2.gz JXSPRUMERNFASE-QFIPXVFZSA-N 1 0 317.454 3.172 20 10 DGCDRO COC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000797077235 626110885 /nfs/dbraw/zinc/11/08/85/626110885.db2.gz VMFPVYZXNAMLOI-GFCCVEGCSA-N 1 0 300.358 3.421 20 10 DGCDRO COc1cccc(O)c1CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000797889768 626177527 /nfs/dbraw/zinc/17/75/27/626177527.db2.gz DUNNITALRWIILL-MRXNPFEDSA-N 1 0 318.461 3.288 20 10 DGCDRO C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182350 626200565 /nfs/dbraw/zinc/20/05/65/626200565.db2.gz HCQQGVMWXDBLIJ-NSHDSACASA-N 1 0 316.367 3.403 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000799148611 626275419 /nfs/dbraw/zinc/27/54/19/626275419.db2.gz DFUAEMFNIQIZJN-MRXNPFEDSA-N 1 0 315.417 3.170 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c(O)c1 ZINC000799735579 626326440 /nfs/dbraw/zinc/32/64/40/626326440.db2.gz ZLMFOXBEWUJSSG-CYBMUJFWSA-N 1 0 308.381 3.139 20 10 DGCDRO COc1cc(C[NH+]2CCC3(CCO3)CC2)c(O)c(C(C)(C)C)c1 ZINC000799954904 626338025 /nfs/dbraw/zinc/33/80/25/626338025.db2.gz GKLZHBPTOFMBGC-UHFFFAOYSA-N 1 0 319.445 3.453 20 10 DGCDRO COCC[C@H]1CCC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000800479638 626363566 /nfs/dbraw/zinc/36/35/66/626363566.db2.gz HRPAEJANWPSCLE-OLZOCXBDSA-N 1 0 300.493 3.420 20 10 DGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000800475566 626363815 /nfs/dbraw/zinc/36/38/15/626363815.db2.gz YJWIVVXPSQNMAB-FUHWJXTLSA-N 1 0 302.462 3.364 20 10 DGCDRO C[C@H]([NH2+]CCCNC(=O)/C=C/c1ccccc1)c1ccccc1O ZINC000800503882 626365255 /nfs/dbraw/zinc/36/52/55/626365255.db2.gz ALHLIFQXVHHERF-DBTPVHCXSA-N 1 0 324.424 3.263 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CCSC(C)C)CC2)cc1 ZINC000801511585 626406489 /nfs/dbraw/zinc/40/64/89/626406489.db2.gz DNDKOCNLBMCYLA-UHFFFAOYSA-N 1 0 308.491 3.349 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(CC)CC ZINC000801599309 626411911 /nfs/dbraw/zinc/41/19/11/626411911.db2.gz JWCCXNSTWKPEIW-HNNXBMFYSA-N 1 0 306.450 3.251 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000802656407 626565339 /nfs/dbraw/zinc/56/53/39/626565339.db2.gz KVNPHABMAYUCGG-GOSISDBHSA-N 1 0 301.361 3.472 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000802656653 626565389 /nfs/dbraw/zinc/56/53/89/626565389.db2.gz NPYBILXQZVGYPS-GOSISDBHSA-N 1 0 301.361 3.472 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1O ZINC000802656922 626565503 /nfs/dbraw/zinc/56/55/03/626565503.db2.gz SCEWVUCFQQIFNH-SFHVURJKSA-N 1 0 301.361 3.472 20 10 DGCDRO CC1(C)C[C@]1(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883252385 626624152 /nfs/dbraw/zinc/62/41/52/626624152.db2.gz FXGBLAFQJHKFTC-LJQANCHMSA-N 1 0 302.462 3.174 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccoc2)c2c1c(F)ccc2O ZINC000883276986 626633882 /nfs/dbraw/zinc/63/38/82/626633882.db2.gz SELNELLLGWSGNY-OSAQELSMSA-N 1 0 319.376 3.113 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cc(O)ccc2Cl)c(O)c1 ZINC000883325012 626647966 /nfs/dbraw/zinc/64/79/66/626647966.db2.gz MFXBMPFGKNPLOC-UHFFFAOYSA-N 1 0 307.777 3.440 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCOC1 ZINC000883354561 626657807 /nfs/dbraw/zinc/65/78/07/626657807.db2.gz YCNQBCCHGDDQFC-MLGOLLRUSA-N 1 0 312.404 3.326 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000806133391 626701307 /nfs/dbraw/zinc/70/13/07/626701307.db2.gz MGBWKZBRZZEYJD-WOJBJXKFSA-N 1 0 314.473 3.174 20 10 DGCDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(O)cc1C ZINC000840113462 626767492 /nfs/dbraw/zinc/76/74/92/626767492.db2.gz BKCWSNAANRMTDV-BBWFWOEESA-N 1 0 319.445 3.225 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](OC)[C@H](C)C3)c2c1 ZINC000840127668 626790144 /nfs/dbraw/zinc/79/01/44/626790144.db2.gz TXNRUTFDYMFGIM-BFUOFWGJSA-N 1 0 315.413 3.411 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1C ZINC000808453024 626826744 /nfs/dbraw/zinc/82/67/44/626826744.db2.gz VOIRLMOQCQDMNZ-INIZCTEOSA-N 1 0 301.361 3.241 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)COCC(C)C)c1O ZINC000808679831 626848716 /nfs/dbraw/zinc/84/87/16/626848716.db2.gz BPHJZBNVLCGTDL-JSGCOSHPSA-N 1 0 315.841 3.038 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)Cc2cnccn2)c1O ZINC000808683403 626849284 /nfs/dbraw/zinc/84/92/84/626849284.db2.gz FPUCSVFKHVHZOW-NEPJUHHUSA-N 1 0 305.809 3.426 20 10 DGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808682493 626849463 /nfs/dbraw/zinc/84/94/63/626849463.db2.gz RVYZWQWAJPTMNH-NWDGAFQWSA-N 1 0 312.841 3.309 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCSCCCO)c1O ZINC000808692841 626850101 /nfs/dbraw/zinc/85/01/01/626850101.db2.gz VDAANUGJAATUGS-LLVKDONJSA-N 1 0 303.855 3.120 20 10 DGCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808717321 626853040 /nfs/dbraw/zinc/85/30/40/626853040.db2.gz BZISFJLXBWHDCL-OCCSQVGLSA-N 1 0 324.852 3.263 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CCC1 ZINC000808715993 626853116 /nfs/dbraw/zinc/85/31/16/626853116.db2.gz HENAVWCIJOKNKN-GFCCVEGCSA-N 1 0 324.852 3.311 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884305585 626862670 /nfs/dbraw/zinc/86/26/70/626862670.db2.gz ALIXRGUTSBGOBG-QGZVFWFLSA-N 1 0 319.493 3.111 20 10 DGCDRO COc1cc(C[NH2+]Cc2ccccc2O)cc(Cl)c1OC ZINC000134237016 626865386 /nfs/dbraw/zinc/86/53/86/626865386.db2.gz RTPCUKUVDYHAKE-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccccc2O)cc1Br ZINC000134237349 626865478 /nfs/dbraw/zinc/86/54/78/626865478.db2.gz WUZXSUBSCCJXNL-UHFFFAOYSA-N 1 0 322.202 3.453 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccccc2O)c(Cl)c1OC ZINC000134451497 626877995 /nfs/dbraw/zinc/87/79/95/626877995.db2.gz VURPQTWMGGCYSW-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000884482804 626887404 /nfs/dbraw/zinc/88/74/04/626887404.db2.gz ICQCLRLLALRBJH-CXAGYDPISA-N 1 0 319.445 3.396 20 10 DGCDRO C[C@]1(O)CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809593643 626924056 /nfs/dbraw/zinc/92/40/56/626924056.db2.gz PSEZHDCLXIBFKV-NRFANRHFSA-N 1 0 322.452 3.206 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c1 ZINC000809655725 626933173 /nfs/dbraw/zinc/93/31/73/626933173.db2.gz OYSUMFCBBGTQMY-GOSISDBHSA-N 1 0 315.413 3.250 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)cc1C ZINC000809708481 626939854 /nfs/dbraw/zinc/93/98/54/626939854.db2.gz CWFHBSPBKDDEAF-MRXNPFEDSA-N 1 0 320.433 3.062 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]C1CC(C(F)F)C1 ZINC000809712866 626939869 /nfs/dbraw/zinc/93/98/69/626939869.db2.gz GBWYSFKXBFIIJI-UHFFFAOYSA-N 1 0 306.150 3.288 20 10 DGCDRO CO[C@H](C)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000809717380 626940668 /nfs/dbraw/zinc/94/06/68/626940668.db2.gz GYZXLMUPQHAQIT-OAHLLOKOSA-N 1 0 315.413 3.438 20 10 DGCDRO COc1ccc(N(CCC(C)C)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000809999144 626967201 /nfs/dbraw/zinc/96/72/01/626967201.db2.gz CKFPLXYOCQHDMY-GOSISDBHSA-N 1 0 320.477 3.003 20 10 DGCDRO CC[C@@H]([NH2+]CC[S@@](=O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810218175 626988715 /nfs/dbraw/zinc/98/87/15/626988715.db2.gz PEWLDCLXCJBGIF-GTJPDFRWSA-N 1 0 323.380 3.220 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(Cl)ccc1O ZINC000810254764 626993107 /nfs/dbraw/zinc/99/31/07/626993107.db2.gz RATAAMQJJXUWJW-AAEUAGOBSA-N 1 0 305.809 3.367 20 10 DGCDRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C2 ZINC000810259813 626994673 /nfs/dbraw/zinc/99/46/73/626994673.db2.gz TVXISLYSXACOHX-WFASDCNBSA-N 1 0 301.361 3.494 20 10 DGCDRO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C2 ZINC000810259812 626994691 /nfs/dbraw/zinc/99/46/91/626994691.db2.gz TVXISLYSXACOHX-SWLSCSKDSA-N 1 0 301.361 3.494 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)c(F)c1 ZINC000136155538 627046450 /nfs/dbraw/zinc/04/64/50/627046450.db2.gz XEQDSCBHGZGSJS-INIZCTEOSA-N 1 0 321.779 3.237 20 10 DGCDRO Cc1n[nH]c(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)c1C ZINC000886147634 627112287 /nfs/dbraw/zinc/11/22/87/627112287.db2.gz XQJPLYDVXRSAAK-ZDUSSCGKSA-N 1 0 300.450 3.122 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)cn3)C2)cc1 ZINC000886155653 627114279 /nfs/dbraw/zinc/11/42/79/627114279.db2.gz LGHXCBLNVYZPKB-OAHLLOKOSA-N 1 0 317.820 3.112 20 10 DGCDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000886280363 627130367 /nfs/dbraw/zinc/13/03/67/627130367.db2.gz CSLQMHSXQPWMCU-NLCWTHGUSA-N 1 0 314.473 3.029 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c1O ZINC000886318016 627136266 /nfs/dbraw/zinc/13/62/66/627136266.db2.gz HLPYDXRSSBGYJX-OAHLLOKOSA-N 1 0 305.418 3.230 20 10 DGCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOC2(CCC2)C1 ZINC000886344302 627140992 /nfs/dbraw/zinc/14/09/92/627140992.db2.gz BIHRMEBGRGDTBS-SFHVURJKSA-N 1 0 301.430 3.451 20 10 DGCDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000138430589 627171282 /nfs/dbraw/zinc/17/12/82/627171282.db2.gz QUNYNFVHYKVFLY-QGZVFWFLSA-N 1 0 312.461 3.298 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1ccc2ccccc2c1O ZINC000886669865 627185318 /nfs/dbraw/zinc/18/53/18/627185318.db2.gz FVKXRYBHWVHPAB-NUEKZKHPSA-N 1 0 315.413 3.126 20 10 DGCDRO CCC1([NH+]2CCC2)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000886715938 627196845 /nfs/dbraw/zinc/19/68/45/627196845.db2.gz JQWAFOZZLPGZDW-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO CCC[C@H](CC)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749372 627198746 /nfs/dbraw/zinc/19/87/46/627198746.db2.gz RDVPTILMVFZGJX-KRWDZBQOSA-N 1 0 317.477 3.057 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccccc1O ZINC000886764391 627201773 /nfs/dbraw/zinc/20/17/73/627201773.db2.gz RSPIALFMEBVIAU-YQYZPQCESA-N 1 0 305.418 3.160 20 10 DGCDRO CC[C@H]([NH2+][C@H](COC)[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000886787572 627204578 /nfs/dbraw/zinc/20/45/78/627204578.db2.gz YFYJVRAXUFVFOF-YTQUADARSA-N 1 0 320.477 3.235 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)[C@@H]1CCCOC1 ZINC000886789276 627204991 /nfs/dbraw/zinc/20/49/91/627204991.db2.gz RHWRWQKMFYXZQA-JMSVASOKSA-N 1 0 313.825 3.138 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1F ZINC000811510697 627284752 /nfs/dbraw/zinc/28/47/52/627284752.db2.gz NDUZHVXQCAPQFU-DLBZAZTESA-N 1 0 306.425 3.281 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000811518814 627287192 /nfs/dbraw/zinc/28/71/92/627287192.db2.gz PEXSFYIWAVMKQO-ZWKOTPCHSA-N 1 0 317.429 3.324 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000811520062 627287364 /nfs/dbraw/zinc/28/73/64/627287364.db2.gz JBQUVJMGJYASRL-LJQANCHMSA-N 1 0 312.461 3.485 20 10 DGCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccncc32)[C@@H]1[C@@H]1CCCO1 ZINC000811776217 627320012 /nfs/dbraw/zinc/32/00/12/627320012.db2.gz LHYWBKQGNGBFRA-ZWKOTPCHSA-N 1 0 312.413 3.330 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1 ZINC000812736809 627414743 /nfs/dbraw/zinc/41/47/43/627414743.db2.gz CXBUOVHJSGTNGM-LBPRGKRZSA-N 1 0 311.385 3.138 20 10 DGCDRO COCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CCOCC1 ZINC000813875668 627518272 /nfs/dbraw/zinc/51/82/72/627518272.db2.gz QRYJIAHRYGJOGJ-TZMCWYRMSA-N 1 0 323.408 3.112 20 10 DGCDRO COCC1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CCOCC1 ZINC000813875660 627518320 /nfs/dbraw/zinc/51/83/20/627518320.db2.gz QRYJIAHRYGJOGJ-GXTWGEPZSA-N 1 0 323.408 3.112 20 10 DGCDRO Cc1cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)ccc1N(C)C ZINC000815074244 627623168 /nfs/dbraw/zinc/62/31/68/627623168.db2.gz NEQMWYOBLKLCNY-GOSISDBHSA-N 1 0 312.461 3.304 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)ccc1N(C)C ZINC000815092698 627625150 /nfs/dbraw/zinc/62/51/50/627625150.db2.gz OQQPTTAOARZCRI-LPHOPBHVSA-N 1 0 312.457 3.315 20 10 DGCDRO Cc1cc(C[N@@H+]2CCOCC3(CCCC3)C2)ccc1N(C)C ZINC000815093376 627625786 /nfs/dbraw/zinc/62/57/86/627625786.db2.gz IVBBWTDMXFUBPQ-UHFFFAOYSA-N 1 0 302.462 3.454 20 10 DGCDRO Cc1cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)ccc1N(C)C ZINC000815107102 627627703 /nfs/dbraw/zinc/62/77/03/627627703.db2.gz GCYKFHNXIQFXJA-OAQYLSRUSA-N 1 0 324.468 3.375 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC000815122433 627631848 /nfs/dbraw/zinc/63/18/48/627631848.db2.gz VPIZMQDPXWGDCV-HXUWFJFHSA-N 1 0 312.457 3.178 20 10 DGCDRO c1cc(N2CCOCC2)ccc1CNc1cc2c(c[nH+]1)CCC2 ZINC000815158832 627638840 /nfs/dbraw/zinc/63/88/40/627638840.db2.gz BJRHOLQDDCTYEP-UHFFFAOYSA-N 1 0 309.413 3.019 20 10 DGCDRO CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815560715 627684890 /nfs/dbraw/zinc/68/48/90/627684890.db2.gz NYFNUEYFTAZFIK-NEPJUHHUSA-N 1 0 316.367 3.403 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c(O)c1 ZINC000815571876 627686045 /nfs/dbraw/zinc/68/60/45/627686045.db2.gz PEMQXWDXPRAWDY-CHWSQXEVSA-N 1 0 316.367 3.296 20 10 DGCDRO CN1CC[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815576534 627686472 /nfs/dbraw/zinc/68/64/72/627686472.db2.gz SHYCMXCRKFBHHF-HKUYNNGSSA-N 1 0 310.441 3.360 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1 ZINC000815580108 627687039 /nfs/dbraw/zinc/68/70/39/627687039.db2.gz CFOYSUDHZFXVRD-HRCADAONSA-N 1 0 318.461 3.307 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)ccc21 ZINC000924870943 627689143 /nfs/dbraw/zinc/68/91/43/627689143.db2.gz MNWLDVXWGQLWMV-QUCCMNQESA-N 1 0 314.473 3.364 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000925077810 627706234 /nfs/dbraw/zinc/70/62/34/627706234.db2.gz CJYDBIAVDUHRNP-HKUYNNGSSA-N 1 0 302.462 3.356 20 10 DGCDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000925101489 627708900 /nfs/dbraw/zinc/70/89/00/627708900.db2.gz IGJYQFABIXKLKF-OLZOCXBDSA-N 1 0 300.493 3.276 20 10 DGCDRO C[C@@H]([NH3+])[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000925544463 627751156 /nfs/dbraw/zinc/75/11/56/627751156.db2.gz RVYNBWFXMUQRQK-OXQOHEQNSA-N 1 0 309.457 3.465 20 10 DGCDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816506395 627798417 /nfs/dbraw/zinc/79/84/17/627798417.db2.gz ATXFZGNXKLJGCB-QGZVFWFLSA-N 1 0 324.424 3.132 20 10 DGCDRO NC(=O)Nc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816533916 627803352 /nfs/dbraw/zinc/80/33/52/627803352.db2.gz ONPLPFNJTCPTBL-UHFFFAOYSA-N 1 0 321.380 3.326 20 10 DGCDRO Oc1c(C[NH2+]C2CCN(CC(F)F)CC2)ccc2ccccc21 ZINC000816544693 627805161 /nfs/dbraw/zinc/80/51/61/627805161.db2.gz PSRQIPDABOXYBP-UHFFFAOYSA-N 1 0 320.383 3.365 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816550704 627805492 /nfs/dbraw/zinc/80/54/92/627805492.db2.gz YWSPVPCEDDGWSW-IBGZPJMESA-N 1 0 323.392 3.377 20 10 DGCDRO CC(C)(C)[S@](=O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816552618 627806381 /nfs/dbraw/zinc/80/63/81/627806381.db2.gz QYQMIUQXUNFCGC-OAQYLSRUSA-N 1 0 305.443 3.182 20 10 DGCDRO CC[NH+]1CCC(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816554049 627806832 /nfs/dbraw/zinc/80/68/32/627806832.db2.gz NPUPWGOMTJQIJD-UHFFFAOYSA-N 1 0 314.832 3.396 20 10 DGCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1O ZINC000816625066 627816586 /nfs/dbraw/zinc/81/65/86/627816586.db2.gz PYJGHCXJBSVNRC-KRWDZBQOSA-N 1 0 319.832 3.389 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000816630968 627817324 /nfs/dbraw/zinc/81/73/24/627817324.db2.gz ZDROPKNGNSMHDI-SFHVURJKSA-N 1 0 302.462 3.412 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1O ZINC000816638975 627818049 /nfs/dbraw/zinc/81/80/49/627818049.db2.gz CUHWLIWHKJTTJJ-SECBINFHSA-N 1 0 308.765 3.006 20 10 DGCDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000816647872 627820045 /nfs/dbraw/zinc/82/00/45/627820045.db2.gz ZHCALMXNIDPVJY-UONOGXRCSA-N 1 0 303.406 3.425 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC23CCSCC3)cc1OC ZINC000817410328 627895313 /nfs/dbraw/zinc/89/53/13/627895313.db2.gz LBNDPXBWEMQLQX-ZDUSSCGKSA-N 1 0 323.458 3.032 20 10 DGCDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817412706 627896501 /nfs/dbraw/zinc/89/65/01/627896501.db2.gz OIORRRGJWHCWBS-WMZOPIPTSA-N 1 0 302.462 3.127 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926595622 627919807 /nfs/dbraw/zinc/91/98/07/627919807.db2.gz JPYMENBQTLGVAU-GJZGRUSLSA-N 1 0 313.445 3.443 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)C3(Cl)CC3)C2)cc1 ZINC000926610912 627921397 /nfs/dbraw/zinc/92/13/97/627921397.db2.gz GZCLWLVDHITRJH-KBPBESRZSA-N 1 0 308.853 3.271 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccns3)C2)cc1 ZINC000926611505 627921566 /nfs/dbraw/zinc/92/15/66/627921566.db2.gz LYQFWPHCVQGCBK-KBPBESRZSA-N 1 0 317.458 3.329 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)C2(OC)CCOCC2)cc1 ZINC000817589055 627927295 /nfs/dbraw/zinc/92/72/95/627927295.db2.gz SYIZCEIYQXDILU-HZPDHXFCSA-N 1 0 320.477 3.377 20 10 DGCDRO CCCN1C[C@H](C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)CC1=O ZINC000817588449 627927331 /nfs/dbraw/zinc/92/73/31/627927331.db2.gz FSNZPQSKPASHFT-YJBOKZPZSA-N 1 0 317.477 3.052 20 10 DGCDRO CCCN1C[C@@H](C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)CC1=O ZINC000817588448 627927371 /nfs/dbraw/zinc/92/73/71/627927371.db2.gz FSNZPQSKPASHFT-QAPCUYQASA-N 1 0 317.477 3.052 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1ccc(N(C)C)cc1 ZINC000817587940 627927443 /nfs/dbraw/zinc/92/74/43/627927443.db2.gz KNFMTVANGYKTAD-MAUKXSAKSA-N 1 0 320.477 3.377 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)C2(OC)CCOCC2)cc1 ZINC000817589056 627927466 /nfs/dbraw/zinc/92/74/66/627927466.db2.gz SYIZCEIYQXDILU-JKSUJKDBSA-N 1 0 320.477 3.377 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000817929935 627964999 /nfs/dbraw/zinc/96/49/99/627964999.db2.gz VVDWPOFZWWCWQC-AWEZNQCLSA-N 1 0 312.413 3.464 20 10 DGCDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938384 627966314 /nfs/dbraw/zinc/96/63/14/627966314.db2.gz JQZDRKURRBBHRH-WOJBJXKFSA-N 1 0 309.457 3.338 20 10 DGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1F ZINC000817938908 627967246 /nfs/dbraw/zinc/96/72/46/627967246.db2.gz VJRQUPQGMVRSTA-FZKQIMNGSA-N 1 0 301.409 3.242 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000817938856 627967332 /nfs/dbraw/zinc/96/73/32/627967332.db2.gz UOKSLRNVTCGJMM-RTBURBONSA-N 1 0 313.420 3.169 20 10 DGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnc(Cl)c1 ZINC000817939891 627967622 /nfs/dbraw/zinc/96/76/22/627967622.db2.gz CZZLFMAMADQPMA-LRDDRELGSA-N 1 0 318.852 3.152 20 10 DGCDRO CC[C@H](Cc1cccs1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817941124 627968687 /nfs/dbraw/zinc/96/86/87/627968687.db2.gz JCZHDNYUFDHOLB-QAPCUYQASA-N 1 0 317.502 3.425 20 10 DGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1F ZINC000817940450 627968758 /nfs/dbraw/zinc/96/87/58/627968758.db2.gz GIRSGXAIQINSEX-YVEFUNNKSA-N 1 0 319.399 3.381 20 10 DGCDRO C[C@H]([NH3+])c1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000817940891 627968951 /nfs/dbraw/zinc/96/89/51/627968951.db2.gz LXXHDAQXBKPSCS-NSHDSACASA-N 1 0 321.471 3.075 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H](c2cccnc2)C2CCC2)cc1 ZINC000817943260 627969329 /nfs/dbraw/zinc/96/93/29/627969329.db2.gz SXJZCELRPOIATI-PMACEKPBSA-N 1 0 324.472 3.278 20 10 DGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)cn1 ZINC000817942625 627969474 /nfs/dbraw/zinc/96/94/74/627969474.db2.gz QBMQQAVLEGNQBM-MLGOLLRUSA-N 1 0 318.852 3.152 20 10 DGCDRO CC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817942775 627969901 /nfs/dbraw/zinc/96/99/01/627969901.db2.gz QVVXXSMQQGPEQI-SJORKVTESA-N 1 0 316.424 3.027 20 10 DGCDRO COc1ccsc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943866 627969989 /nfs/dbraw/zinc/96/99/89/627969989.db2.gz WEHKLBRCWVTNDS-WFASDCNBSA-N 1 0 319.474 3.173 20 10 DGCDRO COc1ccc(OC)c([C@@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817956338 627973818 /nfs/dbraw/zinc/97/38/18/627973818.db2.gz WQXUPAPQDDTUCX-CYBMUJFWSA-N 1 0 300.402 3.179 20 10 DGCDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(N)cc1)CCCO2 ZINC000817955468 627974173 /nfs/dbraw/zinc/97/41/73/627974173.db2.gz BPMLCGSZUILSLW-GOSISDBHSA-N 1 0 312.413 3.323 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1nc2c(s1)CCCC2 ZINC000817956799 627974261 /nfs/dbraw/zinc/97/42/61/627974261.db2.gz DDEHDEXFCHOBAD-LBPRGKRZSA-N 1 0 301.459 3.497 20 10 DGCDRO CCC[NH2+]CCN[C@@H](C)c1cc(Br)cc(C)c1O ZINC000817962020 627976928 /nfs/dbraw/zinc/97/69/28/627976928.db2.gz GMVNETSROCEKOH-NSHDSACASA-N 1 0 315.255 3.113 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817964577 627977127 /nfs/dbraw/zinc/97/71/27/627977127.db2.gz CPUDPJMRFJKJSI-STQMWFEESA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817966287 627977449 /nfs/dbraw/zinc/97/74/49/627977449.db2.gz KJBIRPWRNJOWIG-XHDPSFHLSA-N 1 0 316.367 3.451 20 10 DGCDRO C[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965477 627977688 /nfs/dbraw/zinc/97/76/88/627977688.db2.gz RKRBWKBORRVFBD-DNVCBOLYSA-N 1 0 301.478 3.455 20 10 DGCDRO C[C@@H](NC[C@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817965611 627977770 /nfs/dbraw/zinc/97/77/70/627977770.db2.gz SCYGDSOZGTYXLM-DYVFJYSZSA-N 1 0 305.441 3.204 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817970390 627978674 /nfs/dbraw/zinc/97/86/74/627978674.db2.gz UKPWNVZTZZOBQW-DCAQKATOSA-N 1 0 302.340 3.332 20 10 DGCDRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000817968058 627978826 /nfs/dbraw/zinc/97/88/26/627978826.db2.gz NXOALRWHXLIBRV-GJYPPUQNSA-N 1 0 301.478 3.326 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969231 627978948 /nfs/dbraw/zinc/97/89/48/627978948.db2.gz AAWDAGMUEPNMFB-RVBZMBCESA-N 1 0 303.233 3.348 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817970893 627979595 /nfs/dbraw/zinc/97/95/95/627979595.db2.gz GVZLGZJOHYTVPK-MXWKQRLJSA-N 1 0 302.340 3.202 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1[O-] ZINC000817976521 627980662 /nfs/dbraw/zinc/98/06/62/627980662.db2.gz NAQIJCQFDSMEIO-GXFFZTMASA-N 1 0 314.351 3.204 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1cc(F)ccc1O ZINC000926919818 627981271 /nfs/dbraw/zinc/98/12/71/627981271.db2.gz GCACKIPEOJFHFH-CMPLNLGQSA-N 1 0 320.330 3.209 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817983922 627983395 /nfs/dbraw/zinc/98/33/95/627983395.db2.gz LSYJGMWPCIVLCX-VHSXEESVSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817983923 627983433 /nfs/dbraw/zinc/98/34/33/627983433.db2.gz LSYJGMWPCIVLCX-ZJUUUORDSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2c1c(F)ccc2O ZINC000926937549 627985020 /nfs/dbraw/zinc/98/50/20/627985020.db2.gz PDXLWPUOIXBVMF-AIUMHDJVSA-N 1 0 303.377 3.260 20 10 DGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000927056112 628003400 /nfs/dbraw/zinc/00/34/00/628003400.db2.gz RIKZWDWGBLNLDP-ZFZWDLNGSA-N 1 0 304.434 3.086 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(O)c3)C2)cc1 ZINC000818219394 628006080 /nfs/dbraw/zinc/00/60/80/628006080.db2.gz DSZOGIROWHSDKD-MRXNPFEDSA-N 1 0 312.413 3.017 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3scnc3C)C2)cc1 ZINC000818221384 628006608 /nfs/dbraw/zinc/00/66/08/628006608.db2.gz LULADVRQGVXUPV-AWEZNQCLSA-N 1 0 317.458 3.076 20 10 DGCDRO CCc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000818222618 628006779 /nfs/dbraw/zinc/00/67/79/628006779.db2.gz VAYNPBKGFFJRMH-OAHLLOKOSA-N 1 0 314.429 3.467 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000818341825 628015517 /nfs/dbraw/zinc/01/55/17/628015517.db2.gz HINNPCYXYFTJHB-MDASCCDHSA-N 1 0 300.446 3.300 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccco3)C2)cc1 ZINC000818344637 628016638 /nfs/dbraw/zinc/01/66/38/628016638.db2.gz PMWYQEMDVSGDOX-CABCVRRESA-N 1 0 300.402 3.465 20 10 DGCDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)n1 ZINC000818345403 628016675 /nfs/dbraw/zinc/01/66/75/628016675.db2.gz MXZVZFZYRYMHBF-LBPRGKRZSA-N 1 0 310.401 3.316 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000927152028 628027569 /nfs/dbraw/zinc/02/75/69/628027569.db2.gz IUJPVFRZOYLAEU-NBHGPNQESA-N 1 0 324.468 3.496 20 10 DGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818985242 628072923 /nfs/dbraw/zinc/07/29/23/628072923.db2.gz PJQOQDMGXRUWHZ-KUHUBIRLSA-N 1 0 316.420 3.146 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]CCCSc2nccs2)cc1 ZINC000819064028 628085043 /nfs/dbraw/zinc/08/50/43/628085043.db2.gz SLKZLTSLPVCVJZ-CQSZACIVSA-N 1 0 308.472 3.257 20 10 DGCDRO O[C@H](C[NH2+]CCCSc1nccs1)c1ccccc1F ZINC000819064269 628085197 /nfs/dbraw/zinc/08/51/97/628085197.db2.gz VLXDELROSFBWGB-CYBMUJFWSA-N 1 0 312.435 3.088 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000822530372 628461781 /nfs/dbraw/zinc/46/17/81/628461781.db2.gz ZAPVLGYGRUJVHP-GOSISDBHSA-N 1 0 301.430 3.482 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000822530082 628462158 /nfs/dbraw/zinc/46/21/58/628462158.db2.gz PMYXOLDIISQTQK-SFHVURJKSA-N 1 0 317.429 3.182 20 10 DGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CCO1 ZINC000823666800 628585146 /nfs/dbraw/zinc/58/51/46/628585146.db2.gz SALOMTXOHXRAEF-SJLPKXTDSA-N 1 0 320.502 3.287 20 10 DGCDRO Cc1cnccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000823729394 628591035 /nfs/dbraw/zinc/59/10/35/628591035.db2.gz FMIJDTWJORZIPJ-MRXNPFEDSA-N 1 0 311.429 3.077 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2(O)CCC2)cc1 ZINC000823872002 628605931 /nfs/dbraw/zinc/60/59/31/628605931.db2.gz UXNZPYMVQRWLIN-UHFFFAOYSA-N 1 0 316.470 3.389 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC3(CCC(O)CC3)CC2)c(O)c1 ZINC000824520878 628666526 /nfs/dbraw/zinc/66/65/26/628666526.db2.gz DBCDNQXTTZUHEX-UHFFFAOYSA-N 1 0 319.445 3.308 20 10 DGCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(N)=O ZINC000824608592 628676600 /nfs/dbraw/zinc/67/66/00/628676600.db2.gz JZBCOCXHSREGGW-GFCCVEGCSA-N 1 0 324.852 3.159 20 10 DGCDRO CCC1([NH2+]Cc2cc(Br)cc(OC)c2O)CC1 ZINC000824620258 628677417 /nfs/dbraw/zinc/67/74/17/628677417.db2.gz GUQNGDXHJAMIMR-UHFFFAOYSA-N 1 0 300.196 3.196 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCCC[C@H]2C(=O)OC)c1 ZINC000824624866 628678221 /nfs/dbraw/zinc/67/82/21/628678221.db2.gz CBLQMBFFSPIKCK-CVEARBPZSA-N 1 0 321.417 3.002 20 10 DGCDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824636294 628679234 /nfs/dbraw/zinc/67/92/34/628679234.db2.gz OODMAUSOOCOSBT-PKOBYXMFSA-N 1 0 302.462 3.270 20 10 DGCDRO CC[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)NC(=O)OC(C)(C)C ZINC000824660516 628681050 /nfs/dbraw/zinc/68/10/50/628681050.db2.gz DGKNYGVUIYLZKQ-OAHLLOKOSA-N 1 0 322.449 3.402 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1F ZINC000824696990 628684894 /nfs/dbraw/zinc/68/48/94/628684894.db2.gz WYIXCPIJYLYCLA-WDYCEAGBSA-N 1 0 320.452 3.407 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000824715522 628686522 /nfs/dbraw/zinc/68/65/22/628686522.db2.gz LDGNIECBXXPLRB-XHSDSOJGSA-N 1 0 309.837 3.479 20 10 DGCDRO COc1cc(C[N@H+](C[C@@H](C)O)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000824725907 628687756 /nfs/dbraw/zinc/68/77/56/628687756.db2.gz OGJDZPWEIHBPNZ-CYBMUJFWSA-N 1 0 309.450 3.290 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1O ZINC000824751304 628689384 /nfs/dbraw/zinc/68/93/84/628689384.db2.gz TWQSVQZPGKNOIL-AWEZNQCLSA-N 1 0 305.418 3.230 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c(O)c1 ZINC000824751582 628689498 /nfs/dbraw/zinc/68/94/98/628689498.db2.gz ZWHOMVINWZJJET-AWEZNQCLSA-N 1 0 305.418 3.230 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000824799155 628694537 /nfs/dbraw/zinc/69/45/37/628694537.db2.gz LCNIYEJASOSYRM-PBHICJAKSA-N 1 0 307.434 3.332 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000824815768 628697628 /nfs/dbraw/zinc/69/76/28/628697628.db2.gz YZCJLJUBKVVMMN-HZMBPMFUSA-N 1 0 314.223 3.012 20 10 DGCDRO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000825005362 628715530 /nfs/dbraw/zinc/71/55/30/628715530.db2.gz IJZRDJLNIQVYPX-SNVBAGLBSA-N 1 0 324.222 3.222 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1O ZINC000825086378 628726063 /nfs/dbraw/zinc/72/60/63/628726063.db2.gz SGBKFOYEBARSLV-UKRRQHHQSA-N 1 0 319.426 3.472 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2COCC2(C)C)c(C(F)(F)F)c1 ZINC000825098141 628727669 /nfs/dbraw/zinc/72/76/69/628727669.db2.gz BBKLVCKVXYBCFL-CQSZACIVSA-N 1 0 316.367 3.286 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1O ZINC000825142472 628731992 /nfs/dbraw/zinc/73/19/92/628731992.db2.gz SHFQTPJLDGVZFE-BLLLJJGKSA-N 1 0 323.400 3.374 20 10 DGCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825255267 628742711 /nfs/dbraw/zinc/74/27/11/628742711.db2.gz ZGAJYVHOSUBPGH-QGZVFWFLSA-N 1 0 305.805 3.486 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1F ZINC000825261064 628743749 /nfs/dbraw/zinc/74/37/49/628743749.db2.gz XDVQRWLPLYAKKC-MAUKXSAKSA-N 1 0 306.425 3.329 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825283784 628746162 /nfs/dbraw/zinc/74/61/62/628746162.db2.gz SXUCAQCJDWGEHJ-QGZVFWFLSA-N 1 0 321.804 3.186 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@](C)(CO)c2ccccc2)cc1Cl ZINC000825278998 628746290 /nfs/dbraw/zinc/74/62/90/628746290.db2.gz RHEIDQCTLHHUBV-QGZVFWFLSA-N 1 0 305.805 3.351 20 10 DGCDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825331411 628750887 /nfs/dbraw/zinc/75/08/87/628750887.db2.gz NMDCFFIBBOXJAV-INIZCTEOSA-N 1 0 305.805 3.486 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CSCCS2)cc1Cl ZINC000825331738 628751038 /nfs/dbraw/zinc/75/10/38/628751038.db2.gz RIWCNBJSWJZMHZ-NSHDSACASA-N 1 0 303.880 3.292 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CCCO)C2)cc1F ZINC000825337697 628751527 /nfs/dbraw/zinc/75/15/27/628751527.db2.gz IJFWDWOLJKCRPZ-HNNXBMFYSA-N 1 0 308.441 3.266 20 10 DGCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825346758 628752678 /nfs/dbraw/zinc/75/26/78/628752678.db2.gz GFIODMBSFYYPHD-KRWDZBQOSA-N 1 0 305.805 3.486 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)CCc2ccccc2)cc1Cl ZINC000825500494 628769018 /nfs/dbraw/zinc/76/90/18/628769018.db2.gz DFTDYGSUETUBMQ-MRXNPFEDSA-N 1 0 319.832 3.437 20 10 DGCDRO CC(C)n1ccnc1C[NH2+]Cc1cc(Br)ccc1O ZINC000825893394 628808021 /nfs/dbraw/zinc/80/80/21/628808021.db2.gz YOYXXNOYEWDKAX-UHFFFAOYSA-N 1 0 324.222 3.222 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc([S@](C)=O)cc2)cc1Cl ZINC000825943544 628812902 /nfs/dbraw/zinc/81/29/02/628812902.db2.gz GZPOFMYJXSLHAV-NRFANRHFSA-N 1 0 323.845 3.381 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1Cl ZINC000826030486 628821346 /nfs/dbraw/zinc/82/13/46/628821346.db2.gz ZVXRBCQSVBPIDA-HNNXBMFYSA-N 1 0 323.795 3.186 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cc1Cl ZINC000826064462 628824924 /nfs/dbraw/zinc/82/49/24/628824924.db2.gz KMMAMCOUSUKZLR-PBHICJAKSA-N 1 0 309.837 3.241 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826123350 628830135 /nfs/dbraw/zinc/83/01/35/628830135.db2.gz LHEQONBVCLSFCI-KBPBESRZSA-N 1 0 321.461 3.291 20 10 DGCDRO CCOc1cccc(C[NH+]2CC(COC)(C3CCC3)C2)c1O ZINC000827010878 628912724 /nfs/dbraw/zinc/91/27/24/628912724.db2.gz AHIJBTIBDOKPGY-UHFFFAOYSA-N 1 0 305.418 3.039 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000827340546 628950614 /nfs/dbraw/zinc/95/06/14/628950614.db2.gz GGRZLDBBLRWLQG-UHFFFAOYSA-N 1 0 323.440 3.066 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000827340464 628950867 /nfs/dbraw/zinc/95/08/67/628950867.db2.gz AWJPREMQPRFPGG-IEBWSBKVSA-N 1 0 317.477 3.057 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000827377026 628954020 /nfs/dbraw/zinc/95/40/20/628954020.db2.gz NQCIHSPVJCQVSQ-QGZVFWFLSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1ccc(O)c(C[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000827377298 628954650 /nfs/dbraw/zinc/95/46/50/628954650.db2.gz VCNNHJHQPUILPP-GOSISDBHSA-N 1 0 305.418 3.182 20 10 DGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1O ZINC000827507092 628966346 /nfs/dbraw/zinc/96/63/46/628966346.db2.gz UIJBBGPRNZTWAF-UWVGGRQHSA-N 1 0 312.207 3.005 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)C2(CO)CC2)cc1 ZINC000827903569 629002090 /nfs/dbraw/zinc/00/20/90/629002090.db2.gz KGPLOMZWHOIGFP-UHFFFAOYSA-N 1 0 316.470 3.341 20 10 DGCDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)o1 ZINC000827930134 629004651 /nfs/dbraw/zinc/00/46/51/629004651.db2.gz CFBVVZMAEBFQJX-CYBMUJFWSA-N 1 0 316.401 3.318 20 10 DGCDRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000827930349 629004674 /nfs/dbraw/zinc/00/46/74/629004674.db2.gz HOIWEQGDROQGHU-CRAIPNDOSA-N 1 0 324.424 3.234 20 10 DGCDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828990330 629117443 /nfs/dbraw/zinc/11/74/43/629117443.db2.gz CDVDRHBRZJAYPR-LJQANCHMSA-N 1 0 302.462 3.332 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)cc1 ZINC000829376134 629153567 /nfs/dbraw/zinc/15/35/67/629153567.db2.gz MPAXYNVJINBARN-HXUWFJFHSA-N 1 0 310.441 3.018 20 10 DGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC2CCCCCC2)cc1 ZINC000832267517 629457775 /nfs/dbraw/zinc/45/77/75/629457775.db2.gz UKHTZXYXKUBTHD-GOSISDBHSA-N 1 0 317.477 3.229 20 10 DGCDRO COc1cccc(OCCC[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000834664875 629750831 /nfs/dbraw/zinc/75/08/31/629750831.db2.gz XBHGUOSCYROCBP-KRWDZBQOSA-N 1 0 313.397 3.447 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C(=O)N1c1ccccc1 ZINC000834674004 629754395 /nfs/dbraw/zinc/75/43/95/629754395.db2.gz ZRYXPKHPKLVGLQ-KBRIMQKVSA-N 1 0 322.408 3.163 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccnc1OCC(F)F)CC2 ZINC000834696924 629760215 /nfs/dbraw/zinc/76/02/15/629760215.db2.gz BRZXFHBNOZHPKG-CYBMUJFWSA-N 1 0 320.339 3.208 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cc(Br)ccc1O ZINC000834875041 629794855 /nfs/dbraw/zinc/79/48/55/629794855.db2.gz KMMGERBPEKWNDJ-TVQRCGJNSA-N 1 0 314.223 3.373 20 10 DGCDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000834880489 629796365 /nfs/dbraw/zinc/79/63/65/629796365.db2.gz GFMYCZGXYFPQSW-JCKWVBRZSA-N 1 0 315.413 3.248 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000834901211 629802771 /nfs/dbraw/zinc/80/27/71/629802771.db2.gz QWBGWQBSOZDKOI-RPVQJOFSSA-N 1 0 303.446 3.473 20 10 DGCDRO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(Br)cc1O ZINC000834905657 629805206 /nfs/dbraw/zinc/80/52/06/629805206.db2.gz VHNIPEKUXCIIJQ-TVQRCGJNSA-N 1 0 314.223 3.230 20 10 DGCDRO C[N@H+](CCOc1ccccc1)Cc1c(O)ccc2ccncc21 ZINC000834915677 629808282 /nfs/dbraw/zinc/80/82/82/629808282.db2.gz RPNXYWWHUAGFQP-UHFFFAOYSA-N 1 0 308.381 3.451 20 10 DGCDRO CC[N@@H+]1C[C@H](C)N(C/C=C\c2ccc(N(C)C)cc2)C[C@H]1C ZINC000835025885 629827613 /nfs/dbraw/zinc/82/76/13/629827613.db2.gz MLCWPEIXNLHALQ-ZMJQMOPZSA-N 1 0 301.478 3.180 20 10 DGCDRO CC(C)[N@@H+]1CCCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835025210 629828263 /nfs/dbraw/zinc/82/82/63/629828263.db2.gz GLIDBNOZZKZFHQ-ALCCZGGFSA-N 1 0 301.478 3.182 20 10 DGCDRO COC(=O)CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835030317 629829978 /nfs/dbraw/zinc/82/99/78/629829978.db2.gz WXQTURQQGYTOBN-VOTSOKGWSA-N 1 0 304.434 3.039 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(CO)c(F)c2)cc1 ZINC000835036062 629830311 /nfs/dbraw/zinc/83/03/11/629830311.db2.gz JHRIEXIYSRLXLH-ARJAWSKDSA-N 1 0 314.404 3.187 20 10 DGCDRO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000835035778 629830344 /nfs/dbraw/zinc/83/03/44/629830344.db2.gz KTTHRZRBUGRRFT-IDTUSYRASA-N 1 0 321.428 3.159 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000835036391 629831068 /nfs/dbraw/zinc/83/10/68/629831068.db2.gz PBGNKMOZLPTHEP-XFHJGTJQSA-N 1 0 310.445 3.167 20 10 DGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042167 629832733 /nfs/dbraw/zinc/83/27/33/629832733.db2.gz DUDDUZSKJGYHIW-MTWCHYJXSA-N 1 0 314.429 3.461 20 10 DGCDRO CC(C)Cn1ccnc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835043498 629832862 /nfs/dbraw/zinc/83/28/62/629832862.db2.gz VZPISCPSXFRYSS-AATRIKPKSA-N 1 0 312.461 3.408 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCNc2ccccn2)cc1 ZINC000835043742 629833839 /nfs/dbraw/zinc/83/38/39/629833839.db2.gz BUGOQBNGBAPLQR-ALCCZGGFSA-N 1 0 310.445 3.253 20 10 DGCDRO CC[C@]1(CO)CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835045574 629834337 /nfs/dbraw/zinc/83/43/37/629834337.db2.gz IXHWKPSZITXDHY-XZXOBPBMSA-N 1 0 302.462 3.250 20 10 DGCDRO CCN(C/C=C/c1ccc(N(C)C)cc1)C[C@H](O)C(F)(F)F ZINC000835046601 629834436 /nfs/dbraw/zinc/83/44/36/629834436.db2.gz TYQBYRFNKUOOLT-NFAHFFEMSA-N 1 0 316.367 3.011 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000835045864 629834569 /nfs/dbraw/zinc/83/45/69/629834569.db2.gz DXTJIUVDJCYQKE-LIMHQNJXSA-N 1 0 302.443 3.151 20 10 DGCDRO COC(=O)CCC(C)(C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835046273 629834914 /nfs/dbraw/zinc/83/49/14/629834914.db2.gz ICVGAOQYEHXMOK-VOTSOKGWSA-N 1 0 304.434 3.087 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC000835047212 629835264 /nfs/dbraw/zinc/83/52/64/629835264.db2.gz CXLKZOAJTHDQOR-VHTFYLNKSA-N 1 0 324.468 3.349 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1 ZINC000835048962 629835585 /nfs/dbraw/zinc/83/55/85/629835585.db2.gz NTOXUEZEQHRXTD-BDUNBXCCSA-N 1 0 308.425 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000835051833 629836844 /nfs/dbraw/zinc/83/68/44/629836844.db2.gz KIQLLCKDSYVLKW-HZQHCPKGSA-N 1 0 323.440 3.314 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@]2(C)CCCO)cc1 ZINC000835053134 629837393 /nfs/dbraw/zinc/83/73/93/629837393.db2.gz KUAVSMKNGCXIJC-ZLHKHBAESA-N 1 0 302.462 3.393 20 10 DGCDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054455 629838241 /nfs/dbraw/zinc/83/82/41/629838241.db2.gz VTHZOHJBQCIHMV-NHBNWDHASA-N 1 0 301.478 3.038 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C2CCC(CO)CC2)cc1 ZINC000835054166 629838443 /nfs/dbraw/zinc/83/84/43/629838443.db2.gz RPNFRZGJEOHLDZ-SNAWJCMRSA-N 1 0 302.462 3.249 20 10 DGCDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054457 629838972 /nfs/dbraw/zinc/83/89/72/629838972.db2.gz VTHZOHJBQCIHMV-QXJVMSCWSA-N 1 0 301.478 3.038 20 10 DGCDRO C[N@H+](CCCC[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000835062168 629841286 /nfs/dbraw/zinc/84/12/86/629841286.db2.gz ABWKCTCUCKERPA-UHFFFAOYSA-N 1 0 300.805 3.149 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C ZINC000840714896 630351192 /nfs/dbraw/zinc/35/11/92/630351192.db2.gz NHBXMZJTJHEHEO-UNEWFSDZSA-N 1 0 306.425 3.187 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000840818046 630362405 /nfs/dbraw/zinc/36/24/05/630362405.db2.gz GIEFTOGEIWLNRF-JZGRTCEGSA-N 1 0 300.446 3.362 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000840854618 630367538 /nfs/dbraw/zinc/36/75/38/630367538.db2.gz FEZYYYNIMIGWMM-IPYPFGDCSA-N 1 0 324.465 3.207 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000840879642 630371169 /nfs/dbraw/zinc/37/11/69/630371169.db2.gz FRBMBTHYJPWVFS-AAEUAGOBSA-N 1 0 307.340 3.097 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000840883412 630371559 /nfs/dbraw/zinc/37/15/59/630371559.db2.gz ZMZKWIIFEPGODK-RHSMWYFYSA-N 1 0 316.420 3.318 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1O ZINC000840889879 630373079 /nfs/dbraw/zinc/37/30/79/630373079.db2.gz OWZTXAXSLDNDBL-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C)c1ccn(C)n1 ZINC000840894820 630373797 /nfs/dbraw/zinc/37/37/97/630373797.db2.gz UDPATHBCMWHVEK-MAUKXSAKSA-N 1 0 314.477 3.466 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000840909887 630376445 /nfs/dbraw/zinc/37/64/45/630376445.db2.gz AZFIWTBCRXQWOS-LBPRGKRZSA-N 1 0 305.809 3.457 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000840913867 630376957 /nfs/dbraw/zinc/37/69/57/630376957.db2.gz KFDZLVATXKNRLC-AWEZNQCLSA-N 1 0 308.853 3.414 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1ccccc1F ZINC000840929900 630379461 /nfs/dbraw/zinc/37/94/61/630379461.db2.gz QJGRNIMSOHQVJR-SFHVURJKSA-N 1 0 302.393 3.023 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000840936701 630380576 /nfs/dbraw/zinc/38/05/76/630380576.db2.gz CSNPNOCTPRYOCL-UHFFFAOYSA-N 1 0 320.502 3.159 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(CCO)CCCCC1 ZINC000840935129 630380875 /nfs/dbraw/zinc/38/08/75/630380875.db2.gz GDALYJMEDZWLSC-UHFFFAOYSA-N 1 0 304.478 3.484 20 10 DGCDRO CO[C@H](CC[NH2+]Cc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000840940262 630381090 /nfs/dbraw/zinc/38/10/90/630381090.db2.gz WOJGKHOAIPIPRM-CQSZACIVSA-N 1 0 304.356 3.118 20 10 DGCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840940225 630381363 /nfs/dbraw/zinc/38/13/63/630381363.db2.gz WFWAKVHDQYTIFG-LJQANCHMSA-N 1 0 312.457 3.063 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000840943294 630381889 /nfs/dbraw/zinc/38/18/89/630381889.db2.gz IXMIDOOEEAJOKB-UHFFFAOYSA-N 1 0 308.429 3.270 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000840947815 630382662 /nfs/dbraw/zinc/38/26/62/630382662.db2.gz MQEISMXRMCGGPH-NRFANRHFSA-N 1 0 324.468 3.197 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c1O ZINC000840960914 630386561 /nfs/dbraw/zinc/38/65/61/630386561.db2.gz NUFOFFIVFBKRLX-QLJPJBMISA-N 1 0 313.825 3.347 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c(Cl)c1 ZINC000840963199 630387190 /nfs/dbraw/zinc/38/71/90/630387190.db2.gz MGVZKPAZPYXRBS-CYBMUJFWSA-N 1 0 323.795 3.359 20 10 DGCDRO COc1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1C ZINC000840963552 630387206 /nfs/dbraw/zinc/38/72/06/630387206.db2.gz PHIBZXMNCJVHBU-UHFFFAOYSA-N 1 0 315.457 3.280 20 10 DGCDRO C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000841028968 630398392 /nfs/dbraw/zinc/39/83/92/630398392.db2.gz KCUVPVRIQTYWIJ-JTQLQIEISA-N 1 0 308.784 3.494 20 10 DGCDRO Nc1ccc(CC[NH2+]Cc2ccccc2OC(F)(F)F)cc1 ZINC000841036956 630399855 /nfs/dbraw/zinc/39/98/55/630399855.db2.gz QTTLJLXMRGBSDM-UHFFFAOYSA-N 1 0 310.319 3.500 20 10 DGCDRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000841035401 630400017 /nfs/dbraw/zinc/40/00/17/630400017.db2.gz NJLRZCJROLLYIZ-OXJNMPFZSA-N 1 0 309.457 3.236 20 10 DGCDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841037169 630400038 /nfs/dbraw/zinc/40/00/38/630400038.db2.gz YVVZHTLXYGITLY-HNNXBMFYSA-N 1 0 311.429 3.127 20 10 DGCDRO CCc1cccc(F)c1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841042041 630400756 /nfs/dbraw/zinc/40/07/56/630400756.db2.gz JNOMCABHWXCSBL-IBGZPJMESA-N 1 0 315.436 3.244 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccccc2C2CC2)cc1 ZINC000841044659 630401432 /nfs/dbraw/zinc/40/14/32/630401432.db2.gz DZOWQIYQHKNBHW-FQEVSTJZSA-N 1 0 309.457 3.420 20 10 DGCDRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045536 630401743 /nfs/dbraw/zinc/40/17/43/630401743.db2.gz MKZQKWLUGHQZAA-WFASDCNBSA-N 1 0 317.399 3.463 20 10 DGCDRO C[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC[NH2+]C1 ZINC000841057058 630403184 /nfs/dbraw/zinc/40/31/84/630403184.db2.gz LMESZRQPRFFPKD-AWEZNQCLSA-N 1 0 303.233 3.178 20 10 DGCDRO Oc1ccc(Cl)cc1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841076187 630404972 /nfs/dbraw/zinc/40/49/72/630404972.db2.gz BOWYOFCHEDZUGM-UHFFFAOYSA-N 1 0 304.777 3.140 20 10 DGCDRO CCOc1ccc(CN2CC[NH2+]Cc3c(C)cccc32)c(O)c1 ZINC000841088944 630406613 /nfs/dbraw/zinc/40/66/13/630406613.db2.gz DXKIOLMBQCSLIO-UHFFFAOYSA-N 1 0 312.413 3.209 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000841089237 630406704 /nfs/dbraw/zinc/40/67/04/630406704.db2.gz JOOYEGMBUALZRO-LBPRGKRZSA-N 1 0 315.244 3.463 20 10 DGCDRO C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000841296686 630424498 /nfs/dbraw/zinc/42/44/98/630424498.db2.gz XEKVRXUIDHCAAQ-SUMWQHHRSA-N 1 0 312.417 3.082 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(Cl)cc1O ZINC000841763095 630463311 /nfs/dbraw/zinc/46/33/11/630463311.db2.gz URXBLBIFPOZPKF-GXSJLCMTSA-N 1 0 304.768 3.036 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)c(O)c1C ZINC000841762174 630463352 /nfs/dbraw/zinc/46/33/52/630463352.db2.gz NDAJKZTWSZXAQT-HNNXBMFYSA-N 1 0 321.461 3.227 20 10 DGCDRO CO[C@H](C[NH2+]Cc1cc(Br)ccc1O)CC(C)C ZINC000841888052 630473135 /nfs/dbraw/zinc/47/31/35/630473135.db2.gz CVXFLGZSJRCZDK-ZDUSSCGKSA-N 1 0 316.239 3.305 20 10 DGCDRO COc1cc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c(O)cc1C ZINC000842637791 630556739 /nfs/dbraw/zinc/55/67/39/630556739.db2.gz FOBDUEVNSHFGAD-AWEZNQCLSA-N 1 0 305.418 3.100 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CCO)c2ccccc2F)cc1C ZINC000842763959 630573354 /nfs/dbraw/zinc/57/33/54/630573354.db2.gz PLEBAYCJCVFSJK-KRWDZBQOSA-N 1 0 303.377 3.361 20 10 DGCDRO C[N@H+](CCc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000104944820 630588183 /nfs/dbraw/zinc/58/81/83/630588183.db2.gz VZYDKZHXUDBGHA-UHFFFAOYSA-N 1 0 316.470 3.259 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O ZINC000842885352 630589444 /nfs/dbraw/zinc/58/94/44/630589444.db2.gz NWLQGBUAEZTDAE-GWCFXTLKSA-N 1 0 310.825 3.096 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O ZINC000842885375 630589595 /nfs/dbraw/zinc/58/95/95/630589595.db2.gz ONBGYXGQQOQXRO-UONOGXRCSA-N 1 0 324.852 3.486 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c(O)c1C ZINC000842884872 630589631 /nfs/dbraw/zinc/58/96/31/630589631.db2.gz LJJHITDTZFEOLZ-ZFWWWQNUSA-N 1 0 304.434 3.059 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)c2c1c(F)ccc2O ZINC000842894846 630591310 /nfs/dbraw/zinc/59/13/10/630591310.db2.gz IRCKGJAZZSZERU-ABAIWWIYSA-N 1 0 301.361 3.362 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NCc1cccs1 ZINC000842907927 630592798 /nfs/dbraw/zinc/59/27/98/630592798.db2.gz IJPOVEKZYUSWRF-WFASDCNBSA-N 1 0 318.442 3.199 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843046654 630608210 /nfs/dbraw/zinc/60/82/10/630608210.db2.gz YAUCBILNYDGJSE-AWEZNQCLSA-N 1 0 312.816 3.149 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126298 630616676 /nfs/dbraw/zinc/61/66/76/630616676.db2.gz ICKNULNJBMIEQK-KGLIPLIRSA-N 1 0 308.853 3.257 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843129120 630617497 /nfs/dbraw/zinc/61/74/97/630617497.db2.gz RMSRXANBNZKGCW-IBGZPJMESA-N 1 0 313.489 3.441 20 10 DGCDRO CCc1ccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843349860 630648767 /nfs/dbraw/zinc/64/87/67/630648767.db2.gz KSGNNHFTHYDGNI-UHFFFAOYSA-N 1 0 323.440 3.099 20 10 DGCDRO C[C@@H](c1nc(C(C)(C)C)no1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350478 630648778 /nfs/dbraw/zinc/64/87/78/630648778.db2.gz RVLVGOYNKJYZRR-LBPRGKRZSA-N 1 0 314.433 3.340 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000843417459 630654455 /nfs/dbraw/zinc/65/44/55/630654455.db2.gz UOQXQBIXDRBHCD-UONOGXRCSA-N 1 0 322.449 3.482 20 10 DGCDRO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1Cc1ccccc1O ZINC000843427901 630657615 /nfs/dbraw/zinc/65/76/15/630657615.db2.gz BJCILQYRGBXJLP-ACJLOTCBSA-N 1 0 301.361 3.493 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000843486418 630661935 /nfs/dbraw/zinc/66/19/35/630661935.db2.gz SAWBPCVVHJNLJK-KRWDZBQOSA-N 1 0 317.477 3.022 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCCC[NH3+] ZINC000843486118 630662151 /nfs/dbraw/zinc/66/21/51/630662151.db2.gz QANWSPZJLQEBRS-UHFFFAOYSA-N 1 0 305.466 3.009 20 10 DGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000843488431 630662381 /nfs/dbraw/zinc/66/23/81/630662381.db2.gz ZPKIFIXDNUUTCP-JCGIZDLHSA-N 1 0 324.424 3.219 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000843488440 630662526 /nfs/dbraw/zinc/66/25/26/630662526.db2.gz ZTNCHNNXCZCEFZ-IEBWSBKVSA-N 1 0 317.477 3.009 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c(C)n1-c1ccccc1C ZINC000843504998 630663490 /nfs/dbraw/zinc/66/34/90/630663490.db2.gz SUYZHJBCJOXFKO-KBPBESRZSA-N 1 0 313.445 3.258 20 10 DGCDRO Cc1nnsc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000844277415 630715317 /nfs/dbraw/zinc/71/53/17/630715317.db2.gz CHZJKRHXPVKNIC-UHFFFAOYSA-N 1 0 304.463 3.323 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCc2cccc(C)n2)cc1 ZINC000844402207 630724750 /nfs/dbraw/zinc/72/47/50/630724750.db2.gz PUBZKVWUHPCLJL-UHFFFAOYSA-N 1 0 313.445 3.009 20 10 DGCDRO C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000844925994 630988044 /nfs/dbraw/zinc/98/80/44/630988044.db2.gz SRWOENBIPGENIE-NSHDSACASA-N 1 0 316.367 3.451 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000845972948 631204360 /nfs/dbraw/zinc/20/43/60/631204360.db2.gz RVIVOSZOMOCYJD-LBPRGKRZSA-N 1 0 317.385 3.356 20 10 DGCDRO COC(=O)CC1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000846026584 631206710 /nfs/dbraw/zinc/20/67/10/631206710.db2.gz GDNACISOMRYIDJ-UHFFFAOYSA-N 1 0 311.381 3.245 20 10 DGCDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000846027770 631206910 /nfs/dbraw/zinc/20/69/10/631206910.db2.gz QMYRUXFYIGMRRH-FUHWJXTLSA-N 1 0 302.462 3.438 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846045213 631208110 /nfs/dbraw/zinc/20/81/10/631208110.db2.gz VUZKLNJIIIEARD-IBGZPJMESA-N 1 0 302.462 3.356 20 10 DGCDRO COc1cccc(C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000846055802 631208631 /nfs/dbraw/zinc/20/86/31/631208631.db2.gz NZYLBFZUJFBSQZ-LLVKDONJSA-N 1 0 306.793 3.170 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000846055829 631208777 /nfs/dbraw/zinc/20/87/77/631208777.db2.gz PNPMSBXBFLNQAC-UHFFFAOYSA-N 1 0 305.687 3.077 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCN(C)c2ccccc2)c1O ZINC000846137298 631211399 /nfs/dbraw/zinc/21/13/99/631211399.db2.gz DIUISVNVFNMHMB-AWEZNQCLSA-N 1 0 300.402 3.188 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1O ZINC000846142607 631211616 /nfs/dbraw/zinc/21/16/16/631211616.db2.gz BAHWJDHAXNBAMR-MEDUHNTESA-N 1 0 307.415 3.021 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1O ZINC000846141985 631211669 /nfs/dbraw/zinc/21/16/69/631211669.db2.gz PRDQTVPKRMWUEC-GFCCVEGCSA-N 1 0 318.392 3.457 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c1O ZINC000846143438 631211739 /nfs/dbraw/zinc/21/17/39/631211739.db2.gz BTNFWBKSJXKJCA-NWDGAFQWSA-N 1 0 317.433 3.033 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCOCc2ccccc2)c1O ZINC000846144497 631211760 /nfs/dbraw/zinc/21/17/60/631211760.db2.gz HETPQTNHOVPTKG-AWEZNQCLSA-N 1 0 301.386 3.268 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000846145036 631211776 /nfs/dbraw/zinc/21/17/76/631211776.db2.gz ODWLNABXYFYLIZ-XJKSGUPXSA-N 1 0 317.433 3.363 20 10 DGCDRO CCCOc1ncccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846143474 631211944 /nfs/dbraw/zinc/21/19/44/631211944.db2.gz IVUNVDTVPDIXFE-ZDUSSCGKSA-N 1 0 316.401 3.435 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2nc(C)c(C)s2)c1O ZINC000846150235 631212227 /nfs/dbraw/zinc/21/22/27/631212227.db2.gz OSHAUTXPIVJHHA-NSHDSACASA-N 1 0 306.431 3.367 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2c(C)noc2C)c1O ZINC000846148399 631212272 /nfs/dbraw/zinc/21/22/72/631212272.db2.gz YSTLKMXTLIOAQE-QWRGUYRKSA-N 1 0 304.390 3.287 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)c1O ZINC000846149413 631212282 /nfs/dbraw/zinc/21/22/82/631212282.db2.gz ZABPAJKOMKUCNV-GFCCVEGCSA-N 1 0 311.385 3.436 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC2(CCO)CCCCC2)c1O ZINC000846151517 631212316 /nfs/dbraw/zinc/21/23/16/631212316.db2.gz ZKTSIEJQTKGCJV-CQSZACIVSA-N 1 0 307.434 3.384 20 10 DGCDRO CCc1noc(CC)c1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846151325 631212328 /nfs/dbraw/zinc/21/23/28/631212328.db2.gz WEHILGKLNBYAAX-LLVKDONJSA-N 1 0 304.390 3.364 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCC[C@H]2CCCC[C@@H]2O)c1O ZINC000846156913 631212564 /nfs/dbraw/zinc/21/25/64/631212564.db2.gz PWPLGXOMKPXPPE-LZWOXQAQSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCOc2ncccc2Cl)c1O ZINC000846153489 631212605 /nfs/dbraw/zinc/21/26/05/631212605.db2.gz IUJHCLOXGSRYEE-NSHDSACASA-N 1 0 322.792 3.179 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1O ZINC000846157463 631212793 /nfs/dbraw/zinc/21/27/93/631212793.db2.gz CDYYBCPZSQXPJQ-OUENDJJVSA-N 1 0 303.402 3.009 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)c1O ZINC000846162402 631212947 /nfs/dbraw/zinc/21/29/47/631212947.db2.gz ARMQSIMHSZUJMF-JOYOIKCWSA-N 1 0 307.312 3.019 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccncc2OC)c1O ZINC000846164105 631213026 /nfs/dbraw/zinc/21/30/26/631213026.db2.gz MQAOFTAQKAMFFG-RYUDHWBXSA-N 1 0 302.374 3.216 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846169323 631213343 /nfs/dbraw/zinc/21/33/43/631213343.db2.gz GVBVYNFMRPNJKT-MNOVXSKESA-N 1 0 321.339 3.409 20 10 DGCDRO C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000846177719 631213891 /nfs/dbraw/zinc/21/38/91/631213891.db2.gz FILMTLTZOUALIC-KKSFZXQISA-N 1 0 324.468 3.280 20 10 DGCDRO C[C@H](O)[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000846181559 631213917 /nfs/dbraw/zinc/21/39/17/631213917.db2.gz CFEARDPGCRTEHO-GYOIFBIXSA-N 1 0 301.361 3.230 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1cc(F)ccc1O ZINC000846186536 631214197 /nfs/dbraw/zinc/21/41/97/631214197.db2.gz GXHFRWCPCPPBRF-LXIYXOSZSA-N 1 0 303.377 3.478 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c(O)c1 ZINC000846216015 631215117 /nfs/dbraw/zinc/21/51/17/631215117.db2.gz OVLCCZFHZOVROP-CJNGLKHVSA-N 1 0 312.413 3.128 20 10 DGCDRO [NH3+]CCc1ccccc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000846671970 631283245 /nfs/dbraw/zinc/28/32/45/631283245.db2.gz BPXPPNLFWFGNLZ-UHFFFAOYSA-N 1 0 323.440 3.430 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(Cl)c(F)c2)c1 ZINC000846844782 631326152 /nfs/dbraw/zinc/32/61/52/631326152.db2.gz OVGCFEFUOOGNGF-VIFPVBQESA-N 1 0 310.756 3.439 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1nccc(N)n1 ZINC000846894081 631344330 /nfs/dbraw/zinc/34/43/30/631344330.db2.gz PQRRSJRCLJMILB-CYBMUJFWSA-N 1 0 300.406 3.128 20 10 DGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CS1 ZINC000848520722 631675192 /nfs/dbraw/zinc/67/51/92/631675192.db2.gz JZFNYUCOIDWCKW-HIFRSBDPSA-N 1 0 324.465 3.036 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1cncnc1C ZINC000848552957 631689665 /nfs/dbraw/zinc/68/96/65/631689665.db2.gz GTBAUIXLNMPTOR-GOEBONIOSA-N 1 0 312.461 3.441 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@@H](C)SC3)C2)cc1 ZINC000848553343 631690947 /nfs/dbraw/zinc/69/09/47/631690947.db2.gz LYAMLADAAYXWQV-OAGGEKHMSA-N 1 0 320.502 3.395 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1C ZINC000848556983 631692206 /nfs/dbraw/zinc/69/22/06/631692206.db2.gz DXGPFXIWGBCCQJ-LJIGWXMPSA-N 1 0 320.477 3.157 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c1O ZINC000848559250 631692683 /nfs/dbraw/zinc/69/26/83/631692683.db2.gz QYGAIKDQVFJDFS-NUTKFTJISA-N 1 0 305.418 3.399 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ncc(C)cc2C)c1O ZINC000848559518 631693141 /nfs/dbraw/zinc/69/31/41/631693141.db2.gz DQLLDMMVRQUDGX-CQSZACIVSA-N 1 0 300.402 3.306 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c1 ZINC000848576995 631700935 /nfs/dbraw/zinc/70/09/35/631700935.db2.gz ZXHYKKOCXPCKFU-INIZCTEOSA-N 1 0 305.418 3.372 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000848881049 631768106 /nfs/dbraw/zinc/76/81/06/631768106.db2.gz LOXXPPQPLWPGDL-OAHLLOKOSA-N 1 0 320.433 3.054 20 10 DGCDRO CCc1cccc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000848885305 631770821 /nfs/dbraw/zinc/77/08/21/631770821.db2.gz SOJNEBKXEKSFQO-CYBMUJFWSA-N 1 0 322.449 3.300 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000848887551 631772165 /nfs/dbraw/zinc/77/21/65/631772165.db2.gz YWQOQLPREDBNJW-GOSISDBHSA-N 1 0 313.397 3.234 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2ccc(OC)c(OC)c2)c1O ZINC000848891651 631774688 /nfs/dbraw/zinc/77/46/88/631774688.db2.gz WPOHFJYFVZBHEE-UHFFFAOYSA-N 1 0 315.413 3.304 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)c1O ZINC000848893189 631775474 /nfs/dbraw/zinc/77/54/74/631775474.db2.gz RXRCHBCFVRYLGI-CYBMUJFWSA-N 1 0 314.433 3.123 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000848894936 631776365 /nfs/dbraw/zinc/77/63/65/631776365.db2.gz IFRJFUWEACZSIL-GFCCVEGCSA-N 1 0 313.401 3.296 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Cl)c1O ZINC000848896494 631777477 /nfs/dbraw/zinc/77/74/77/631777477.db2.gz BONRGKDWZYWFFL-MRXNPFEDSA-N 1 0 305.805 3.431 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000848898408 631777812 /nfs/dbraw/zinc/77/78/12/631777812.db2.gz BTBCOUOEEMRLIW-WBVHZDCISA-N 1 0 307.459 3.099 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1O ZINC000848896395 631777874 /nfs/dbraw/zinc/77/78/74/631777874.db2.gz AIVKCUZNCGNPBS-GOSISDBHSA-N 1 0 321.367 3.230 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](CCO)c2ccc(OC)cc2)c1O ZINC000848899704 631778299 /nfs/dbraw/zinc/77/82/99/631778299.db2.gz IKXHVOAGWGSPLL-SFHVURJKSA-N 1 0 315.413 3.177 20 10 DGCDRO CCc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000848907405 631781584 /nfs/dbraw/zinc/78/15/84/631781584.db2.gz CSWWCGBLTNZREC-DOXZYTNZSA-N 1 0 319.445 3.113 20 10 DGCDRO CCc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000848907408 631781943 /nfs/dbraw/zinc/78/19/43/631781943.db2.gz CSWWCGBLTNZREC-ZRGWGRIASA-N 1 0 319.445 3.113 20 10 DGCDRO CCc1cccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1O ZINC000848908678 631782196 /nfs/dbraw/zinc/78/21/96/631782196.db2.gz AUAYPMVJTBPTIP-FQEVSTJZSA-N 1 0 311.425 3.268 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c1O ZINC000848917388 631786249 /nfs/dbraw/zinc/78/62/49/631786249.db2.gz FOTUASRWBVZNNP-KRWDZBQOSA-N 1 0 314.404 3.462 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1O ZINC000848928013 631791865 /nfs/dbraw/zinc/79/18/65/631791865.db2.gz UCLPATMISMCRMO-JKSUJKDBSA-N 1 0 308.853 3.461 20 10 DGCDRO COc1cc(C[NH2+]CC2(O)CCCCC2)c(O)c(C(C)(C)C)c1 ZINC000850102142 632056036 /nfs/dbraw/zinc/05/60/36/632056036.db2.gz DZQSIYCMDIOZJK-UHFFFAOYSA-N 1 0 321.461 3.483 20 10 DGCDRO COc1cc(C[NH2+]C[C@H](C)N(C)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850121183 632061131 /nfs/dbraw/zinc/06/11/31/632061131.db2.gz OBJFJBLHGONBAY-ZDUSSCGKSA-N 1 0 320.477 3.271 20 10 DGCDRO CC[C@@H](O)CCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850157616 632068488 /nfs/dbraw/zinc/06/84/88/632068488.db2.gz SMDQZGIHPPPXEH-CQSZACIVSA-N 1 0 309.450 3.339 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C1CC1 ZINC000850222405 632084925 /nfs/dbraw/zinc/08/49/25/632084925.db2.gz XLEFSYANJPQNRB-INIZCTEOSA-N 1 0 307.434 3.213 20 10 DGCDRO COc1cc(C[NH2+]Cc2cc(C)ncn2)c(O)c(C(C)(C)C)c1 ZINC000850227022 632086489 /nfs/dbraw/zinc/08/64/89/632086489.db2.gz VSWAERHFWVQJJS-UHFFFAOYSA-N 1 0 315.417 3.087 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850238508 632090528 /nfs/dbraw/zinc/09/05/28/632090528.db2.gz HSNKPHYLGSHADA-AWEZNQCLSA-N 1 0 307.434 3.357 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c(O)c(C(C)(C)C)c1 ZINC000850252820 632094798 /nfs/dbraw/zinc/09/47/98/632094798.db2.gz HLVUILHFRNVWKC-DYVFJYSZSA-N 1 0 321.461 3.339 20 10 DGCDRO COc1cc(C[NH2+]CC2(N(C)C)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850266998 632098321 /nfs/dbraw/zinc/09/83/21/632098321.db2.gz KBULOOAOWANCQI-UHFFFAOYSA-N 1 0 320.477 3.272 20 10 DGCDRO COCC1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCC1 ZINC000850289299 632104502 /nfs/dbraw/zinc/10/45/02/632104502.db2.gz DZGOZVSOWYZZHY-UHFFFAOYSA-N 1 0 307.434 3.357 20 10 DGCDRO COc1cc(C[NH2+][C@](C)(CO)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850307548 632110009 /nfs/dbraw/zinc/11/00/09/632110009.db2.gz YQYHMQJIIDDXSF-GOSISDBHSA-N 1 0 309.450 3.195 20 10 DGCDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850343180 632119464 /nfs/dbraw/zinc/11/94/64/632119464.db2.gz QULHVOOIUFNXAX-HNNXBMFYSA-N 1 0 317.360 3.371 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C)ccc3O)C2)cc1 ZINC000850346613 632120118 /nfs/dbraw/zinc/12/01/18/632120118.db2.gz HVWWTICBHOFIOZ-INIZCTEOSA-N 1 0 312.413 3.078 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(F)cc3)C2)cc1 ZINC000850345864 632120179 /nfs/dbraw/zinc/12/01/79/632120179.db2.gz MQXIYWLXYXHVSO-INIZCTEOSA-N 1 0 300.377 3.203 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCO[C@@H](C(C)C)C3)C2)cc1 ZINC000850346252 632120340 /nfs/dbraw/zinc/12/03/40/632120340.db2.gz DEZZPZLCNHPITG-JTDSTZFVSA-N 1 0 318.461 3.067 20 10 DGCDRO CCOCc1cc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1OC ZINC000850350991 632121741 /nfs/dbraw/zinc/12/17/41/632121741.db2.gz JOOSHVGNPCJIBP-QGZVFWFLSA-N 1 0 320.477 3.194 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1(CO)CC1 ZINC000850362101 632125914 /nfs/dbraw/zinc/12/59/14/632125914.db2.gz YRYARMRCYOPJCA-LLVKDONJSA-N 1 0 316.367 3.022 20 10 DGCDRO FC1(F)C[C@H]1OCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000850365470 632126870 /nfs/dbraw/zinc/12/68/70/632126870.db2.gz HRGXPGUCHCTPNS-MRXNPFEDSA-N 1 0 310.388 3.191 20 10 DGCDRO COc1cccc(O)c1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000850365240 632127049 /nfs/dbraw/zinc/12/70/49/632127049.db2.gz KZXUVASGPBWYFC-UHFFFAOYSA-N 1 0 317.360 3.371 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cc(COC)cs2)c(O)c1 ZINC000850378235 632132235 /nfs/dbraw/zinc/13/22/35/632132235.db2.gz ZBRQMTAVABMVMA-UHFFFAOYSA-N 1 0 307.415 3.289 20 10 DGCDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000850383985 632133982 /nfs/dbraw/zinc/13/39/82/632133982.db2.gz GSTCXTMJYPKIAJ-CJNGLKHVSA-N 1 0 319.836 3.280 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000850382718 632134140 /nfs/dbraw/zinc/13/41/40/632134140.db2.gz VJSJLAKIVPDECG-MRXNPFEDSA-N 1 0 318.461 3.288 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC1CC1 ZINC000850386280 632135011 /nfs/dbraw/zinc/13/50/11/632135011.db2.gz HYQHOCLGRJXBIF-GOSISDBHSA-N 1 0 302.462 3.175 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000850388278 632135962 /nfs/dbraw/zinc/13/59/62/632135962.db2.gz KQSZXONWBVNWOT-MOPGFXCFSA-N 1 0 309.409 3.452 20 10 DGCDRO O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C12CCC2 ZINC000850389001 632136957 /nfs/dbraw/zinc/13/69/57/632136957.db2.gz RLLGTFYFXVAOLM-ROUUACIJSA-N 1 0 300.446 3.070 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(O)CCC(F)(F)CC2)cc1 ZINC000850405518 632141366 /nfs/dbraw/zinc/14/13/66/632141366.db2.gz RPNCTPCPNSTCPE-ARJAWSKDSA-N 1 0 324.415 3.296 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850404876 632141776 /nfs/dbraw/zinc/14/17/76/632141776.db2.gz FSTJHAQPARHSFJ-UHFFFAOYSA-N 1 0 316.470 3.307 20 10 DGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CS1 ZINC000850406848 632142262 /nfs/dbraw/zinc/14/22/62/632142262.db2.gz WMBRMEYVPDACPB-HOCLYGCPSA-N 1 0 320.502 3.021 20 10 DGCDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000850422018 632147522 /nfs/dbraw/zinc/14/75/22/632147522.db2.gz CHBRKTLTPFWJCJ-AWEZNQCLSA-N 1 0 306.450 3.210 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CCc3ccco3)C2)cc1 ZINC000850489246 632168157 /nfs/dbraw/zinc/16/81/57/632168157.db2.gz SFVGLCYAFVKOFK-HOTGVXAUSA-N 1 0 314.429 3.478 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000850489181 632168263 /nfs/dbraw/zinc/16/82/63/632168263.db2.gz WGENMJRGCYZOIY-CABCVRRESA-N 1 0 306.475 3.149 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(F)cn3)C2)cc1 ZINC000850489649 632168707 /nfs/dbraw/zinc/16/87/07/632168707.db2.gz WGSKIIBSVLBGFD-HIFRSBDPSA-N 1 0 315.392 3.159 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CCOCC1 ZINC000850493424 632170966 /nfs/dbraw/zinc/17/09/66/632170966.db2.gz HLZZILOLODHXAZ-DFBGVHRSSA-N 1 0 323.408 3.111 20 10 DGCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C1CCOCC1 ZINC000850493167 632170977 /nfs/dbraw/zinc/17/09/77/632170977.db2.gz GKIHZMSKHAWZAZ-IAQYHMDHSA-N 1 0 313.825 3.138 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1)c1ccc(C)cc1O ZINC000850501812 632173363 /nfs/dbraw/zinc/17/33/63/632173363.db2.gz POIIIHFHXCFGCK-XYVMCAHJSA-N 1 0 321.461 3.307 20 10 DGCDRO CC[C@H]([NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1)c1ccc(C)cc1O ZINC000850501811 632173392 /nfs/dbraw/zinc/17/33/92/632173392.db2.gz POIIIHFHXCFGCK-UOVPBQLFSA-N 1 0 321.461 3.307 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1O ZINC000850502421 632173456 /nfs/dbraw/zinc/17/34/56/632173456.db2.gz WCHIOVIJVMMJHY-HZPDHXFCSA-N 1 0 310.397 3.021 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(N(C)C)cc1 ZINC000850501854 632173550 /nfs/dbraw/zinc/17/35/50/632173550.db2.gz QGNIKMGAKRHTHE-DNNRVTFUSA-N 1 0 308.491 3.093 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COc3cc(F)ccc3C2)c1O ZINC000850537796 632185937 /nfs/dbraw/zinc/18/59/37/632185937.db2.gz URUTYAHVLZHPSE-RISCZKNCSA-N 1 0 317.360 3.194 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000850544672 632187861 /nfs/dbraw/zinc/18/78/61/632187861.db2.gz IKGAPNINGDSPRT-HIFRSBDPSA-N 1 0 303.446 3.330 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)c1 ZINC000850550294 632190107 /nfs/dbraw/zinc/19/01/07/632190107.db2.gz MJYZVOWAWSDGGF-LBPRGKRZSA-N 1 0 315.417 3.253 20 10 DGCDRO CNC(=O)CC1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CCCCC1 ZINC000850558052 632192681 /nfs/dbraw/zinc/19/26/81/632192681.db2.gz ZCZAUERZRLMLFY-HNNXBMFYSA-N 1 0 318.461 3.438 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)CC1 ZINC000850567317 632196506 /nfs/dbraw/zinc/19/65/06/632196506.db2.gz ZHWFAZKVTIOLRU-OAQYLSRUSA-N 1 0 322.452 3.425 20 10 DGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000850572133 632198473 /nfs/dbraw/zinc/19/84/73/632198473.db2.gz BLNMGQLIYQCCLZ-VBHSOAQHSA-N 1 0 303.377 3.347 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c(O)c1 ZINC000850573906 632199321 /nfs/dbraw/zinc/19/93/21/632199321.db2.gz STPSBAAEZQTJBF-OAHLLOKOSA-N 1 0 318.461 3.486 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)c1 ZINC000184999688 660197967 /nfs/dbraw/zinc/19/79/67/660197967.db2.gz POZGMVIISKZGPB-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185027436 660198734 /nfs/dbraw/zinc/19/87/34/660198734.db2.gz KKOKJSOMKMSEPQ-CQSZACIVSA-N 1 0 312.413 3.301 20 10 DGCDRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185027413 660198820 /nfs/dbraw/zinc/19/88/20/660198820.db2.gz KKOKJSOMKMSEPQ-AWEZNQCLSA-N 1 0 312.413 3.301 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164214 660205562 /nfs/dbraw/zinc/20/55/62/660205562.db2.gz CYCVSHKKYHNJAN-GJZGRUSLSA-N 1 0 310.397 3.157 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)c1 ZINC000185252319 660211369 /nfs/dbraw/zinc/21/13/69/660211369.db2.gz FTCLRTGDMKHCDA-OAHLLOKOSA-N 1 0 312.413 3.058 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000185791029 660242235 /nfs/dbraw/zinc/24/22/35/660242235.db2.gz QDIJVLHHCNANGT-QWHCGFSZSA-N 1 0 321.442 3.019 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccco2)c1 ZINC000185836176 660247312 /nfs/dbraw/zinc/24/73/12/660247312.db2.gz MIEZQPCLGDNONR-MQIPJXDCSA-N 1 0 305.374 3.157 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cc(F)ccc1O ZINC000186095362 660266266 /nfs/dbraw/zinc/26/62/66/660266266.db2.gz IBPJDTUOGOCYCO-WSVYEEACSA-N 1 0 307.390 3.120 20 10 DGCDRO COC1(C[NH2+][C@H](C)c2ccc3ccccc3c2O)CCOCC1 ZINC000186146967 660270252 /nfs/dbraw/zinc/27/02/52/660270252.db2.gz SSZFHGROUPTMPK-CQSZACIVSA-N 1 0 315.413 3.392 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1O ZINC000186397623 660381735 /nfs/dbraw/zinc/38/17/35/660381735.db2.gz DIYXDWXXJITXSD-SJORKVTESA-N 1 0 323.408 3.417 20 10 DGCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000186452637 660440248 /nfs/dbraw/zinc/44/02/48/660440248.db2.gz HMGFAFKMNBAYSE-NVXWUHKLSA-N 1 0 319.449 3.024 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)c1 ZINC000186480718 660446338 /nfs/dbraw/zinc/44/63/38/660446338.db2.gz GSIUGDVKVJKBQB-CQSZACIVSA-N 1 0 309.413 3.481 20 10 DGCDRO CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001004662357 660564595 /nfs/dbraw/zinc/56/45/95/660564595.db2.gz ZDNNDAKPBJQVRZ-NVXWUHKLSA-N 1 0 318.461 3.273 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1O ZINC000186750552 660573082 /nfs/dbraw/zinc/57/30/82/660573082.db2.gz BKRQDCHWJYWJSA-CJNGLKHVSA-N 1 0 320.433 3.300 20 10 DGCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000186763045 660573614 /nfs/dbraw/zinc/57/36/14/660573614.db2.gz BEWXPRZKBXPIBL-VXGBXAGGSA-N 1 0 324.396 3.049 20 10 DGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000701730233 660681598 /nfs/dbraw/zinc/68/15/98/660681598.db2.gz VDKVQYOYXMMPTD-CYBMUJFWSA-N 1 0 314.223 3.154 20 10 DGCDRO CCCCOCC[NH2+]Cc1c(O)cccc1Br ZINC000706875119 660875996 /nfs/dbraw/zinc/87/59/96/660875996.db2.gz NUSUJFOFBMEDLT-UHFFFAOYSA-N 1 0 302.212 3.061 20 10 DGCDRO COC1(C[NH2+]Cc2c(O)cccc2Br)CCCC1 ZINC000706884668 660879336 /nfs/dbraw/zinc/87/93/36/660879336.db2.gz AROOVSFQTSVGDE-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO COCCCC[N@H+](C)Cc1c(O)cccc1Br ZINC000707138872 660888631 /nfs/dbraw/zinc/88/86/31/660888631.db2.gz IJJILHZXQIZBRA-UHFFFAOYSA-N 1 0 302.212 3.013 20 10 DGCDRO CO[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000707151496 660893899 /nfs/dbraw/zinc/89/38/99/660893899.db2.gz DUCNGNLIIMODRT-LLVKDONJSA-N 1 0 314.223 3.156 20 10 DGCDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000708270679 660919374 /nfs/dbraw/zinc/91/93/74/660919374.db2.gz LOFWTUYCJABOGW-LLVKDONJSA-N 1 0 314.223 3.013 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCCO1 ZINC000792805523 660986012 /nfs/dbraw/zinc/98/60/12/660986012.db2.gz IAMSZBZKXOCHQC-LBPRGKRZSA-N 1 0 316.367 3.382 20 10 DGCDRO CC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792896809 660992323 /nfs/dbraw/zinc/99/23/23/660992323.db2.gz FMVWFZDAYDQJKU-AWEZNQCLSA-N 1 0 304.356 3.022 20 10 DGCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(F)CC3)cc2F)C[C@@H](C)O1 ZINC000792920247 660993800 /nfs/dbraw/zinc/99/38/00/660993800.db2.gz RVORHSOFTDATCW-CHWSQXEVSA-N 1 0 310.388 3.031 20 10 DGCDRO COC[C@@H](C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792942702 660996211 /nfs/dbraw/zinc/99/62/11/660996211.db2.gz MJNCKPNRIYFMAI-NSHDSACASA-N 1 0 304.356 3.144 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)[nH]n1 ZINC000792992223 660998930 /nfs/dbraw/zinc/99/89/30/660998930.db2.gz NGRVBZKFNXVLIN-UHFFFAOYSA-N 1 0 312.339 3.093 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@](C)(CO)C2CC2)c(C(F)(F)F)c1 ZINC000793051277 661002065 /nfs/dbraw/zinc/00/20/65/661002065.db2.gz MNOKYQRUKLVEEV-OAHLLOKOSA-N 1 0 316.367 3.022 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)c(C(F)(F)F)c1 ZINC000793086405 661004419 /nfs/dbraw/zinc/00/44/19/661004419.db2.gz AUCBUACFKSMUQJ-HUUCEWRRSA-N 1 0 316.367 3.165 20 10 DGCDRO CCOC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793094309 661004466 /nfs/dbraw/zinc/00/44/66/661004466.db2.gz TUJZGJUCWDIOQU-NSHDSACASA-N 1 0 304.356 3.286 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC2(CCO)CC2)c(C(F)(F)F)c1 ZINC000793094419 661004858 /nfs/dbraw/zinc/00/48/58/661004858.db2.gz WFWBENMHWJTFIA-UHFFFAOYSA-N 1 0 316.367 3.024 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000793232574 661015564 /nfs/dbraw/zinc/01/55/64/661015564.db2.gz YUPALNDFGJAHJW-MWLCHTKSSA-N 1 0 319.323 3.182 20 10 DGCDRO CCOCc1cc(C[NH2+]C2(CCOC)CCC2)ccc1OC ZINC000793330342 661025209 /nfs/dbraw/zinc/02/52/09/661025209.db2.gz WOQJXCYVZPTHFT-UHFFFAOYSA-N 1 0 307.434 3.281 20 10 DGCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000793347297 661025703 /nfs/dbraw/zinc/02/57/03/661025703.db2.gz RWXPPCUQACYHQJ-HUUCEWRRSA-N 1 0 306.425 3.188 20 10 DGCDRO CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CCC1 ZINC000793350274 661025821 /nfs/dbraw/zinc/02/58/21/661025821.db2.gz DCRWVVRGRYXXCK-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCc3c(cccc3OC)C2)c(O)c1 ZINC000793386410 661029137 /nfs/dbraw/zinc/02/91/37/661029137.db2.gz PGEMPDZYXXCZDP-HNNXBMFYSA-N 1 0 313.397 3.057 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cnc(C3CCC3)s2)c(O)c1 ZINC000793391364 661029470 /nfs/dbraw/zinc/02/94/70/661029470.db2.gz WKVHXDAKNHZYKR-UHFFFAOYSA-N 1 0 304.415 3.415 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000793395053 661030081 /nfs/dbraw/zinc/03/00/81/661030081.db2.gz PGYXQLKMBVVNFP-UHFFFAOYSA-N 1 0 300.446 3.288 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000793585326 661047966 /nfs/dbraw/zinc/04/79/66/661047966.db2.gz YBVFLSXSSPKLIJ-UHFFFAOYSA-N 1 0 312.461 3.438 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1O ZINC000794791928 661105289 /nfs/dbraw/zinc/10/52/89/661105289.db2.gz CQBMMUKKBFGFRA-SJLPKXTDSA-N 1 0 320.477 3.098 20 10 DGCDRO CC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(C)cc1O ZINC000794789961 661105345 /nfs/dbraw/zinc/10/53/45/661105345.db2.gz BCMAQTRKCXMAFS-KRWDZBQOSA-N 1 0 301.434 3.334 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1ccc(C)cc1O ZINC000794795403 661105789 /nfs/dbraw/zinc/10/57/89/661105789.db2.gz SYZUJUUJCJJKDM-ZWKOTPCHSA-N 1 0 320.477 3.098 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(C)cc1O ZINC000794802592 661106276 /nfs/dbraw/zinc/10/62/76/661106276.db2.gz GDIMKKPOLOSILB-OAHLLOKOSA-N 1 0 312.404 3.471 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000795729793 661170272 /nfs/dbraw/zinc/17/02/72/661170272.db2.gz KNRASJPAKLJSSA-ZDUSSCGKSA-N 1 0 307.340 3.401 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000166283476 655793722 /nfs/dbraw/zinc/79/37/22/655793722.db2.gz BYFHATWNLSRRIA-GMBSWORKSA-N 1 0 301.478 3.419 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2Cc3ccccc3C[C@@H]2C)cc1OC ZINC000179445047 655893025 /nfs/dbraw/zinc/89/30/25/655893025.db2.gz GMMHCVTZOFTGQL-ZDUSSCGKSA-N 1 0 313.397 3.356 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CCOCC1 ZINC000163638923 655970475 /nfs/dbraw/zinc/97/04/75/655970475.db2.gz DWTAMKSKLDYIHX-OAHLLOKOSA-N 1 0 320.502 3.145 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000179926342 656089436 /nfs/dbraw/zinc/08/94/36/656089436.db2.gz VOWNGJABMUENQF-CQSZACIVSA-N 1 0 320.433 3.047 20 10 DGCDRO COc1cccc2[nH]cc(CC[NH2+]Cc3ccc4c(c3)CCO4)c21 ZINC000180454012 656093413 /nfs/dbraw/zinc/09/34/13/656093413.db2.gz BQORNRRZJYMTIF-UHFFFAOYSA-N 1 0 322.408 3.444 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CCO)C2CCCCC2)c1O ZINC000181501041 656099654 /nfs/dbraw/zinc/09/96/54/656099654.db2.gz RSLCDJAPRWBJDY-KRWDZBQOSA-N 1 0 323.408 3.155 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc3c(c2)CCO3)c1 ZINC000182413761 656105662 /nfs/dbraw/zinc/10/56/62/656105662.db2.gz KWUDXKIQRPMKSN-CYBMUJFWSA-N 1 0 313.397 3.229 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccccc2C#N)c1 ZINC000182463448 656105667 /nfs/dbraw/zinc/10/56/67/656105667.db2.gz ZLPUTZLGLWPPQY-CYBMUJFWSA-N 1 0 312.369 3.002 20 10 DGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCSc1nccs1 ZINC000182670183 656107449 /nfs/dbraw/zinc/10/74/49/656107449.db2.gz XREAMMXWPHYUOK-LLVKDONJSA-N 1 0 316.492 3.335 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2nccn21 ZINC000183443944 656112987 /nfs/dbraw/zinc/11/29/87/656112987.db2.gz FCDFPZXYKLFVFZ-UHFFFAOYSA-N 1 0 308.429 3.422 20 10 DGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cc(OCC)ccc1O)C(C)C ZINC000185234872 656124859 /nfs/dbraw/zinc/12/48/59/656124859.db2.gz YRBFREPNAXTAGU-GOSISDBHSA-N 1 0 323.433 3.248 20 10 DGCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000187992887 656142815 /nfs/dbraw/zinc/14/28/15/656142815.db2.gz CXXIPGMPMBGGCH-KRWDZBQOSA-N 1 0 303.377 3.221 20 10 DGCDRO C[C@@H]([NH2+]CCCOC(F)F)c1cc(Br)ccc1O ZINC000194033601 656196832 /nfs/dbraw/zinc/19/68/32/656196832.db2.gz GLFVRKSEPARSHL-MRVPVSSYSA-N 1 0 324.165 3.435 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000125264816 656269128 /nfs/dbraw/zinc/26/91/28/656269128.db2.gz PMKHTZLUQKMGIG-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000313451552 656281764 /nfs/dbraw/zinc/28/17/64/656281764.db2.gz RXNLHDUUQLXBLM-HNNXBMFYSA-N 1 0 309.381 3.125 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C(C)C)C2)cc1C ZINC000980921089 656596461 /nfs/dbraw/zinc/59/64/61/656596461.db2.gz GZOMYRXVOKJTMQ-IAGOWNOFSA-N 1 0 318.461 3.177 20 10 DGCDRO Cc1cc(C[NH2+]C2CCS(=O)CC2)c(C)n1-c1ccccc1 ZINC000317508659 656625923 /nfs/dbraw/zinc/62/59/23/656625923.db2.gz HNOIYOIKTZKKQH-UHFFFAOYSA-N 1 0 316.470 3.095 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CCC2(CCCC2)O1 ZINC000318597612 656773053 /nfs/dbraw/zinc/77/30/53/656773053.db2.gz ZGHCSYLTKFSAAK-KRWDZBQOSA-N 1 0 300.446 3.390 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CCC2(CCCC2)O1 ZINC000318597614 656773145 /nfs/dbraw/zinc/77/31/45/656773145.db2.gz ZGHCSYLTKFSAAK-QGZVFWFLSA-N 1 0 300.446 3.390 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)C1(CC)CC ZINC000236879137 656947650 /nfs/dbraw/zinc/94/76/50/656947650.db2.gz SQAQWNGWIIWHPU-IAGOWNOFSA-N 1 0 307.434 3.474 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1C ZINC001000759845 657149915 /nfs/dbraw/zinc/14/99/15/657149915.db2.gz BGQBYMIVUQWMNA-INIZCTEOSA-N 1 0 318.461 3.130 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)c1 ZINC000237204728 657378604 /nfs/dbraw/zinc/37/86/04/657378604.db2.gz SIHNIWUFIYAEQH-KDOFPFPSSA-N 1 0 306.450 3.001 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1O ZINC000320188096 657430615 /nfs/dbraw/zinc/43/06/15/657430615.db2.gz OZGKWRAXXFYHRQ-RISCZKNCSA-N 1 0 311.385 3.364 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000303268028 657526470 /nfs/dbraw/zinc/52/64/70/657526470.db2.gz FVYOKSWSBHEVBD-PBHICJAKSA-N 1 0 314.404 3.456 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324931156 657597370 /nfs/dbraw/zinc/59/73/70/657597370.db2.gz NRTIVEODZTXEJL-IBGZPJMESA-N 1 0 300.446 3.192 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1cc(Br)ccc1O ZINC000252769301 657631020 /nfs/dbraw/zinc/63/10/20/657631020.db2.gz SJROXWXYSKCPAT-NRUUGDAUSA-N 1 0 316.239 3.355 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000305110920 657682903 /nfs/dbraw/zinc/68/29/03/657682903.db2.gz FYZMSSHPSUMMDN-IBGZPJMESA-N 1 0 320.452 3.311 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccco1 ZINC000305160443 657721419 /nfs/dbraw/zinc/72/14/19/657721419.db2.gz WWHXCYVSFLOVPT-HNNXBMFYSA-N 1 0 314.429 3.339 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1O ZINC000305789764 658046580 /nfs/dbraw/zinc/04/65/80/658046580.db2.gz ZNORINLQPLTBOS-GDBMZVCRSA-N 1 0 307.340 3.445 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)Cc2ccccc2)cc1 ZINC000323071849 658619447 /nfs/dbraw/zinc/61/94/47/658619447.db2.gz ONNGKJLXMCAMDH-IBGZPJMESA-N 1 0 312.457 3.226 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3ccccc3[N+](=O)[O-])ccc21 ZINC000057752419 659026335 /nfs/dbraw/zinc/02/63/35/659026335.db2.gz NDBSPGPXBMVTEG-UHFFFAOYSA-N 1 0 311.385 3.267 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1O ZINC000224811579 659032641 /nfs/dbraw/zinc/03/26/41/659032641.db2.gz ADUKEBVGUDMVOU-OAHLLOKOSA-N 1 0 322.449 3.340 20 10 DGCDRO CC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(N(C)C)cc1 ZINC000157575823 659070385 /nfs/dbraw/zinc/07/03/85/659070385.db2.gz WTZVEXYYSHYQHZ-UHFFFAOYSA-N 1 0 300.450 3.125 20 10 DGCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000227689281 659162002 /nfs/dbraw/zinc/16/20/02/659162002.db2.gz SQTGKCDANSEYRX-KGLIPLIRSA-N 1 0 321.465 3.316 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000227716507 659162769 /nfs/dbraw/zinc/16/27/69/659162769.db2.gz PCRZWQBPPKSNJE-OAHLLOKOSA-N 1 0 321.465 3.146 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1cc(Br)ccc1O ZINC000228067109 659172357 /nfs/dbraw/zinc/17/23/57/659172357.db2.gz SJROXWXYSKCPAT-BREBYQMCSA-N 1 0 316.239 3.355 20 10 DGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000230299891 659323969 /nfs/dbraw/zinc/32/39/69/659323969.db2.gz FPJGXFZKYZGSCC-AWEZNQCLSA-N 1 0 314.223 3.156 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](SC)C2)c1O ZINC000230934991 659357514 /nfs/dbraw/zinc/35/75/14/659357514.db2.gz QHPLAPLMDYHWSZ-VXGBXAGGSA-N 1 0 301.839 3.428 20 10 DGCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000173397734 659384231 /nfs/dbraw/zinc/38/42/31/659384231.db2.gz GPGQMOJRFOSVEA-INIZCTEOSA-N 1 0 321.461 3.309 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000179879581 659945318 /nfs/dbraw/zinc/94/53/18/659945318.db2.gz WVBLZSHYOPDSAR-KBPBESRZSA-N 1 0 320.433 3.442 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3c(cccc3OC)C2)c1 ZINC000180782801 659970745 /nfs/dbraw/zinc/97/07/45/659970745.db2.gz XWSVEQPWPUEPHA-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCc3cc(F)ccc3C2)c1O ZINC000181442205 660000371 /nfs/dbraw/zinc/00/03/71/660000371.db2.gz VOCVIJHWOSCIOZ-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO Cc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1O ZINC000181523805 660005707 /nfs/dbraw/zinc/00/57/07/660005707.db2.gz OMKWDYPFEOSQGY-INIZCTEOSA-N 1 0 300.402 3.220 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(N(C)C)cc1 ZINC000182134328 660035822 /nfs/dbraw/zinc/03/58/22/660035822.db2.gz IJPODYSRBKVMHX-MAUKXSAKSA-N 1 0 318.461 3.479 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCOCC(F)(F)F)cc1 ZINC000070167121 660040134 /nfs/dbraw/zinc/04/01/34/660040134.db2.gz HLYRWKSIFBWVPU-UHFFFAOYSA-N 1 0 304.356 3.201 20 10 DGCDRO CC[C@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183133928 660102660 /nfs/dbraw/zinc/10/26/60/660102660.db2.gz ALJSYSXQBUMMNJ-IBGZPJMESA-N 1 0 315.413 3.222 20 10 DGCDRO CCOc1cccc(C[N@H+](C)C[C@H](C)c2nccs2)c1O ZINC000183262514 660106814 /nfs/dbraw/zinc/10/68/14/660106814.db2.gz GPABVWIZPSCYHJ-LBPRGKRZSA-N 1 0 306.431 3.483 20 10 DGCDRO C[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000183405064 660110168 /nfs/dbraw/zinc/11/01/68/660110168.db2.gz FBKQEYSMCWRZOZ-OAHLLOKOSA-N 1 0 307.397 3.471 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCSc2ccncc2)c1 ZINC000930214296 661378723 /nfs/dbraw/zinc/37/87/23/661378723.db2.gz NETWVIIQTSTOKY-GFCCVEGCSA-N 1 0 304.415 3.239 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCOC23CCCCC3)c1O ZINC000933876074 661664302 /nfs/dbraw/zinc/66/43/02/661664302.db2.gz ZRMRNXXORQQAEH-MRXNPFEDSA-N 1 0 321.392 3.315 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cncs1 ZINC000155303856 661845010 /nfs/dbraw/zinc/84/50/10/661845010.db2.gz KMENGOQLUMQJMJ-UONOGXRCSA-N 1 0 317.458 3.392 20 10 DGCDRO Oc1ccccc1C[N@@H+](Cc1ccc(F)nc1)C[C@@H]1CCCO1 ZINC000189281871 661971985 /nfs/dbraw/zinc/97/19/85/661971985.db2.gz KMYWEUQYQQVKKB-INIZCTEOSA-N 1 0 316.376 3.108 20 10 DGCDRO CC(=O)c1cc(F)cc(CN2CC(C)(C)OC(C)(C)C2)c1O ZINC000189650837 661986493 /nfs/dbraw/zinc/98/64/93/661986493.db2.gz GDJJUKJDMLFAIE-UHFFFAOYSA-N 1 0 309.381 3.123 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)c1 ZINC000192743359 662110283 /nfs/dbraw/zinc/11/02/83/662110283.db2.gz IVFQKCNUUWSKLM-CQSZACIVSA-N 1 0 313.397 3.365 20 10 DGCDRO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000192873306 662113706 /nfs/dbraw/zinc/11/37/06/662113706.db2.gz CZTRUBARNKFUCP-MRXNPFEDSA-N 1 0 313.397 3.447 20 10 DGCDRO COc1cc(O)c(C[NH2+]Cc2ccc3ncccc3c2)cc1OC ZINC000192976582 662118794 /nfs/dbraw/zinc/11/87/94/662118794.db2.gz NJPBAVLBDCFZDM-UHFFFAOYSA-N 1 0 324.380 3.247 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CO)C2CCCCC2)c1O ZINC000079763193 662121287 /nfs/dbraw/zinc/12/12/87/662121287.db2.gz PKKCBGUKVRKSFG-SFHVURJKSA-N 1 0 323.408 3.155 20 10 DGCDRO COCCO[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000193417204 662133521 /nfs/dbraw/zinc/13/35/21/662133521.db2.gz XOKBOKYKCROIOH-MRXNPFEDSA-N 1 0 315.413 3.173 20 10 DGCDRO CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCO1 ZINC000194009736 662154593 /nfs/dbraw/zinc/15/45/93/662154593.db2.gz GGVRGWUUJIASCV-HNNXBMFYSA-N 1 0 307.434 3.396 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000085324838 662207279 /nfs/dbraw/zinc/20/72/79/662207279.db2.gz RJTLZBVZSAFONN-JOCHJYFZSA-N 1 0 316.470 3.088 20 10 DGCDRO CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001037121878 662307953 /nfs/dbraw/zinc/30/79/53/662307953.db2.gz GMWFBDLOODKGRU-SJORKVTESA-N 1 0 318.461 3.178 20 10 DGCDRO C[C@@H](C1CC1)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000092009593 662326312 /nfs/dbraw/zinc/32/63/12/662326312.db2.gz NAUYQBIPJMYYCS-HNNXBMFYSA-N 1 0 300.446 3.286 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C)O1 ZINC000247671451 662327269 /nfs/dbraw/zinc/32/72/69/662327269.db2.gz PXPXULYQJGJVKB-IUODEOHRSA-N 1 0 307.434 3.395 20 10 DGCDRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1O ZINC000248487062 662349388 /nfs/dbraw/zinc/34/93/88/662349388.db2.gz FWZQUXSFTPKREJ-MGPQQGTHSA-N 1 0 324.440 3.070 20 10 DGCDRO OC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000093455412 662355403 /nfs/dbraw/zinc/35/54/03/662355403.db2.gz HSKCCAFIBSZVMA-INIZCTEOSA-N 1 0 303.789 3.137 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000093637865 662357576 /nfs/dbraw/zinc/35/75/76/662357576.db2.gz FNVMYWQYDMOFKN-NRFANRHFSA-N 1 0 322.452 3.427 20 10 DGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000093712976 662358850 /nfs/dbraw/zinc/35/88/50/662358850.db2.gz DCEJCGDTHFPRFB-OAQYLSRUSA-N 1 0 303.427 3.070 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000093757741 662359489 /nfs/dbraw/zinc/35/94/89/662359489.db2.gz SPEZCWCBXLIJFU-HNNXBMFYSA-N 1 0 320.433 3.190 20 10 DGCDRO Oc1ccc(Br)cc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227339102 685117830 /nfs/dbraw/zinc/11/78/30/685117830.db2.gz STJCPUHOGQVGGJ-ZDUSSCGKSA-N 1 0 314.223 3.204 20 10 DGCDRO OC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000386251649 685177384 /nfs/dbraw/zinc/17/73/84/685177384.db2.gz LEOOAVHVDXUKHW-LJQANCHMSA-N 1 0 302.462 3.318 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)N2CCCCC2)cc1 ZINC000386966188 685180997 /nfs/dbraw/zinc/18/09/97/685180997.db2.gz XGDQPCPOLBGDRH-QGZVFWFLSA-N 1 0 303.494 3.497 20 10 DGCDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1cc(C)ccc1O ZINC000387557963 685184221 /nfs/dbraw/zinc/18/42/21/685184221.db2.gz WREAYZCTYMDSHP-CQSZACIVSA-N 1 0 322.449 3.436 20 10 DGCDRO C[NH+](C)CCOc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000391784679 685212872 /nfs/dbraw/zinc/21/28/72/685212872.db2.gz CGNKJQVWJACWTC-QGZVFWFLSA-N 1 0 312.413 3.432 20 10 DGCDRO CN(C)CC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000393582178 685218299 /nfs/dbraw/zinc/21/82/99/685218299.db2.gz XLHVKDVMBZWOJY-UHFFFAOYSA-N 1 0 301.478 3.251 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)COC(C)C)c1O ZINC000396353771 685227265 /nfs/dbraw/zinc/22/72/65/685227265.db2.gz GNTBQFLMKBVSKD-UHFFFAOYSA-N 1 0 301.814 3.347 20 10 DGCDRO C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000397733866 685231641 /nfs/dbraw/zinc/23/16/41/685231641.db2.gz FETQJMRVDSNFFO-NSHDSACASA-N 1 0 324.396 3.049 20 10 DGCDRO CCN(CC)c1ccc(CN[C@@H](C[NH3+])C2CCCC2)cc1F ZINC001577699753 1191913036 /nfs/dbraw/zinc/91/30/36/1191913036.db2.gz XAAWBVWGGOZCQD-KRWDZBQOSA-N 1 0 307.457 3.279 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCCc2c(F)cccc21 ZINC001578715892 1191952947 /nfs/dbraw/zinc/95/29/47/1191952947.db2.gz HMQIQKCGNMWXTB-UHFFFAOYSA-N 1 0 312.388 3.181 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1ccc(C)cc1F ZINC001578715953 1191953108 /nfs/dbraw/zinc/95/31/08/1191953108.db2.gz KOESTARFAZVJLG-UHFFFAOYSA-N 1 0 300.377 3.173 20 10 DGCDRO COC(=O)c1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1C ZINC001578864184 1191959535 /nfs/dbraw/zinc/95/95/35/1191959535.db2.gz QODQICQFNPLYFF-UHFFFAOYSA-N 1 0 324.424 3.193 20 10 DGCDRO Cc1cc(CN2CCCC[C@@H]2C[NH3+])ccc1N1CCCCC1 ZINC001579598448 1191981849 /nfs/dbraw/zinc/98/18/49/1191981849.db2.gz WJNNDCONEWFKEP-GOSISDBHSA-N 1 0 301.478 3.299 20 10 DGCDRO Nc1ccc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC001580445400 1192027140 /nfs/dbraw/zinc/02/71/40/1192027140.db2.gz BQKUSZCPHXLDCH-HNNXBMFYSA-N 1 0 310.319 3.111 20 10 DGCDRO Nc1ccc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC001580445401 1192027412 /nfs/dbraw/zinc/02/74/12/1192027412.db2.gz BQKUSZCPHXLDCH-OAHLLOKOSA-N 1 0 310.319 3.111 20 10 DGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001620805225 1192085979 /nfs/dbraw/zinc/08/59/79/1192085979.db2.gz NDPQQEVATVUWCF-LSDHHAIUSA-N 1 0 301.434 3.464 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCOCc2ccccc2)cc1F ZINC001620823135 1192186232 /nfs/dbraw/zinc/18/62/32/1192186232.db2.gz GMCCDRRNMZHYDL-UHFFFAOYSA-N 1 0 320.383 3.337 20 10 DGCDRO CCn1ccnc1CNc1ccccc1OCC[NH+](CC)CC ZINC001620842790 1192445421 /nfs/dbraw/zinc/44/54/21/1192445421.db2.gz SBDBKJHUQUSUNJ-UHFFFAOYSA-N 1 0 316.449 3.236 20 10 DGCDRO COc1ccc(C[NH2+]C2(CNC(=O)c3ccccc3)CC2)cc1C ZINC001670739196 1176511171 /nfs/dbraw/zinc/51/11/71/1176511171.db2.gz XGGVEIFISVMSPE-UHFFFAOYSA-N 1 0 324.424 3.056 20 10 DGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001597737455 1192744613 /nfs/dbraw/zinc/74/46/13/1192744613.db2.gz XLENZVOZNIBDSF-CYBMUJFWSA-N 1 0 314.429 3.328 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC001621002501 1192779338 /nfs/dbraw/zinc/77/93/38/1192779338.db2.gz YJMNFYIBZFUTKF-GTQRCTGISA-N 1 0 318.486 3.266 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC001621002503 1192779504 /nfs/dbraw/zinc/77/95/04/1192779504.db2.gz YJMNFYIBZFUTKF-ZCCHDVMBSA-N 1 0 318.486 3.266 20 10 DGCDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001621003378 1192779527 /nfs/dbraw/zinc/77/95/27/1192779527.db2.gz GUUGAMIHRNMAMQ-OAHLLOKOSA-N 1 0 321.484 3.492 20 10 DGCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)C(C)C)CC2)cc1C ZINC001670868634 1177381617 /nfs/dbraw/zinc/38/16/17/1177381617.db2.gz SQYFHIJWXYPUJF-OAHLLOKOSA-N 1 0 318.461 3.034 20 10 DGCDRO CN(C)c1cc[nH+]c(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001331693124 1178271653 /nfs/dbraw/zinc/27/16/53/1178271653.db2.gz IEZMHOYUHZGEKQ-UHFFFAOYSA-N 1 0 306.360 3.104 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001332361305 1178427735 /nfs/dbraw/zinc/42/77/35/1178427735.db2.gz YGXRYVFVWKJELB-UHFFFAOYSA-N 1 0 308.853 3.320 20 10 DGCDRO COc1ccc(C[NH2+]C2CC(c3ccccc3)C2)c(O)c1OC ZINC001333746812 1178666114 /nfs/dbraw/zinc/66/61/14/1178666114.db2.gz FDKGSXXDRXHBCU-UHFFFAOYSA-N 1 0 313.397 3.445 20 10 DGCDRO Nc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC001334775300 1178796362 /nfs/dbraw/zinc/79/63/62/1178796362.db2.gz VJOXDWRNYRZSOP-UHFFFAOYSA-N 1 0 309.413 3.120 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c(O)c1OC ZINC001335051983 1178846978 /nfs/dbraw/zinc/84/69/78/1178846978.db2.gz TTXFOWNNMDVZJC-LLVKDONJSA-N 1 0 315.360 3.325 20 10 DGCDRO CC[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccccc1O ZINC001335247581 1178877053 /nfs/dbraw/zinc/87/70/53/1178877053.db2.gz YVGQVWQLOLWETA-LBPRGKRZSA-N 1 0 313.323 3.385 20 10 DGCDRO CN1CCN(c2ccc(C[N@H+](C)CC3CCCC3)cc2F)CC1 ZINC001341554131 1179028149 /nfs/dbraw/zinc/02/81/49/1179028149.db2.gz SUZVTWLOPGTODV-UHFFFAOYSA-N 1 0 319.468 3.200 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCOC[C@H]1CCCO1 ZINC001342390780 1179137213 /nfs/dbraw/zinc/13/72/13/1179137213.db2.gz SCLOMFOMKGKWNA-KFWWJZLASA-N 1 0 305.418 3.034 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccc(C)cc2)c(O)c1OC ZINC001342959682 1179216432 /nfs/dbraw/zinc/21/64/32/1179216432.db2.gz HRYWIJRZBQHXPN-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCS[C@@H](C)C2)c1O ZINC001343288367 1179251707 /nfs/dbraw/zinc/25/17/07/1179251707.db2.gz UHDJSXKTTHWPMH-CABZTGNLSA-N 1 0 301.839 3.428 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCOC23CCCC3)cc1F ZINC001343321966 1179255886 /nfs/dbraw/zinc/25/58/86/1179255886.db2.gz YPUBVYPQFZETQV-INIZCTEOSA-N 1 0 310.388 3.222 20 10 DGCDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352644 1179260609 /nfs/dbraw/zinc/26/06/09/1179260609.db2.gz BZTIGDVKMLVCCY-APWZRJJASA-N 1 0 301.478 3.059 20 10 DGCDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352647 1179260943 /nfs/dbraw/zinc/26/09/43/1179260943.db2.gz BZTIGDVKMLVCCY-VQIMIIECSA-N 1 0 301.478 3.059 20 10 DGCDRO Nc1ccc(C[NH+]2CCC(N3CCc4ccccc43)CC2)cc1 ZINC001356083665 1181138346 /nfs/dbraw/zinc/13/83/46/1181138346.db2.gz XDUJBGNYCXIROE-UHFFFAOYSA-N 1 0 307.441 3.296 20 10 DGCDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461087244 1182766385 /nfs/dbraw/zinc/76/63/85/1182766385.db2.gz QIUJWMSFCTWUOF-SFHVURJKSA-N 1 0 313.445 3.413 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC001461181875 1182779303 /nfs/dbraw/zinc/77/93/03/1182779303.db2.gz ACGPZPXKGSERKW-DUMMIQTOSA-N 1 0 308.425 3.359 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001461567204 1182829146 /nfs/dbraw/zinc/82/91/46/1182829146.db2.gz PIUARCDFKZCYEF-XBXGTLAGSA-N 1 0 316.367 3.429 20 10 DGCDRO Cc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)c(O)c1 ZINC001461977916 1182889124 /nfs/dbraw/zinc/88/91/24/1182889124.db2.gz UXTHAJVOMKYFHS-UHFFFAOYSA-N 1 0 318.804 3.425 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC001462031580 1182898391 /nfs/dbraw/zinc/89/83/91/1182898391.db2.gz FQAMJMNXHZREKT-UHFFFAOYSA-N 1 0 312.413 3.422 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC001462286410 1182933744 /nfs/dbraw/zinc/93/37/44/1182933744.db2.gz ZXZJJFGSVZOGSG-KRWDZBQOSA-N 1 0 321.804 3.186 20 10 DGCDRO CC(C)[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC001462286983 1182934083 /nfs/dbraw/zinc/93/40/83/1182934083.db2.gz VSUWPACEGMCDES-KRWDZBQOSA-N 1 0 312.404 3.278 20 10 DGCDRO CCOC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1C)C(C)C ZINC001462387051 1182945226 /nfs/dbraw/zinc/94/52/26/1182945226.db2.gz LUYZIBWQPSITPB-UHFFFAOYSA-N 1 0 306.450 3.225 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CC2CCSCC2)cc1 ZINC001462406351 1182948910 /nfs/dbraw/zinc/94/89/10/1182948910.db2.gz UJVXUZDIRGRXRW-UHFFFAOYSA-N 1 0 308.491 3.206 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c(O)c1 ZINC001462487384 1182961582 /nfs/dbraw/zinc/96/15/82/1182961582.db2.gz WLOGVSJAPNRNND-QGZVFWFLSA-N 1 0 307.434 3.394 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nc2ccccc2c(=O)[nH]1 ZINC001473724140 1183793311 /nfs/dbraw/zinc/79/33/11/1183793311.db2.gz QBONXJHFBSPYMK-NWDGAFQWSA-N 1 0 309.369 3.453 20 10 DGCDRO Cc1ncsc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC001473938904 1183833029 /nfs/dbraw/zinc/83/30/29/1183833029.db2.gz ZYDBJXQZDBKYPV-UHFFFAOYSA-N 1 0 319.499 3.295 20 10 DGCDRO c1cc2c(cc1CN[C@@H]1CC[N@H+](CC3CCCC3)C1)CCCO2 ZINC001474030766 1183854269 /nfs/dbraw/zinc/85/42/69/1183854269.db2.gz NKCJZPKZTNNVSA-LJQANCHMSA-N 1 0 314.473 3.366 20 10 DGCDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCO2 ZINC001474105324 1183868433 /nfs/dbraw/zinc/86/84/33/1183868433.db2.gz ZCVVZCFDYDBPKF-QGZVFWFLSA-N 1 0 311.381 3.244 20 10 DGCDRO COc1cc(C)c(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c(O)c1 ZINC001474555745 1183939176 /nfs/dbraw/zinc/93/91/76/1183939176.db2.gz ZRLBWBWMZINHLN-AWEZNQCLSA-N 1 0 313.397 3.492 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c1O ZINC001474569133 1183942407 /nfs/dbraw/zinc/94/24/07/1183942407.db2.gz PAFGHJBZQAEHDY-GOSISDBHSA-N 1 0 321.461 3.376 20 10 DGCDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001474637535 1183953601 /nfs/dbraw/zinc/95/36/01/1183953601.db2.gz CUGAPYPKRCBDPC-MOPGFXCFSA-N 1 0 313.397 3.238 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC3(CCCCO3)CC2)c(O)c1 ZINC001474678383 1183960674 /nfs/dbraw/zinc/96/06/74/1183960674.db2.gz AIDHMCNCCYGHBY-UHFFFAOYSA-N 1 0 305.418 3.244 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1ccc(Cl)cc1O)c1cccc(F)c1 ZINC001474715304 1183966430 /nfs/dbraw/zinc/96/64/30/1183966430.db2.gz FBFGAKSORVJWAY-INIZCTEOSA-N 1 0 309.768 3.182 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1Cl ZINC001474711331 1183966639 /nfs/dbraw/zinc/96/66/39/1183966639.db2.gz WIHBTHZDCSZIEE-OAHLLOKOSA-N 1 0 323.795 3.186 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](CO)c2cc(F)ccc2F)c1O ZINC001474750743 1183972718 /nfs/dbraw/zinc/97/27/18/1183972718.db2.gz WPKXAKDSTWBFOR-MRXNPFEDSA-N 1 0 307.340 3.056 20 10 DGCDRO CC[C@H](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001479761667 1184315899 /nfs/dbraw/zinc/31/58/99/1184315899.db2.gz SRLGKYGMTBQYIG-WMLDXEAASA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1ccccc1O ZINC001560074794 1189275392 /nfs/dbraw/zinc/27/53/92/1189275392.db2.gz GOQMAVKHKNXDHD-JTQLQIEISA-N 1 0 322.767 3.474 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCN(C)c2ccccc2)cc1F ZINC001560259169 1189301098 /nfs/dbraw/zinc/30/10/98/1189301098.db2.gz CILNHTFHLHAJLA-UHFFFAOYSA-N 1 0 319.399 3.257 20 10 DGCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001560397678 1189323254 /nfs/dbraw/zinc/32/32/54/1189323254.db2.gz IJVJEWQHXLGIMX-IEBWSBKVSA-N 1 0 301.478 3.107 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]2(O)CCCC2(C)C)cc1 ZINC001560484908 1189332772 /nfs/dbraw/zinc/33/27/72/1189332772.db2.gz XJWGOPKRTPJQOS-SUOMESGTSA-N 1 0 302.462 3.297 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC001560535306 1189337735 /nfs/dbraw/zinc/33/77/35/1189337735.db2.gz ONDDJOVMFBOBNS-SJORKVTESA-N 1 0 320.383 3.391 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c(O)c1 ZINC001560720644 1189367634 /nfs/dbraw/zinc/36/76/34/1189367634.db2.gz YUAMYMRKIFFZBF-UHFFFAOYSA-N 1 0 318.461 3.170 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cnc3c(F)cccc3c2)c1O ZINC001560810524 1189384024 /nfs/dbraw/zinc/38/40/24/1189384024.db2.gz CVDWSRPFHDEJNJ-UHFFFAOYSA-N 1 0 312.344 3.378 20 10 DGCDRO COC(=O)[C@]1(C)CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001560891523 1189401143 /nfs/dbraw/zinc/40/11/43/1189401143.db2.gz MZKQHGRROMSLRT-SUOMESGTSA-N 1 0 316.445 3.041 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)N(C)C)cc1 ZINC001561040195 1189424672 /nfs/dbraw/zinc/42/46/72/1189424672.db2.gz LXWINVNWEQESMZ-KANFNMMFSA-N 1 0 301.478 3.134 20 10 DGCDRO CCCC(C)(C)C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567553529 1190216976 /nfs/dbraw/zinc/21/69/76/1190216976.db2.gz PADQOZNZLGAMJL-UHFFFAOYSA-N 1 0 320.477 3.378 20 10 DGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)C2CCC2)C(C)C)cc1C ZINC001568440730 1190521763 /nfs/dbraw/zinc/52/17/63/1190521763.db2.gz CKFWNZJFCKCSSL-QGZVFWFLSA-N 1 0 318.461 3.034 20 10 DGCDRO CCC(CC)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001571377091 1191006979 /nfs/dbraw/zinc/00/69/79/1191006979.db2.gz FFYRQABVWBDDNC-HNNXBMFYSA-N 1 0 320.477 3.376 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCC(=O)NC(C)(C)C)cc1C ZINC001620777556 1191808365 /nfs/dbraw/zinc/80/83/65/1191808365.db2.gz YVMHVWBZGNNVNH-UHFFFAOYSA-N 1 0 306.450 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2COc3c(F)cc(F)cc3C2)cc1C ZINC001621101766 1193759446 /nfs/dbraw/zinc/75/94/46/1193759446.db2.gz LXTSRTJOOUPVRT-OAHLLOKOSA-N 1 0 319.351 3.375 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cc(C2CC2)nn1C ZINC001621082304 1193799942 /nfs/dbraw/zinc/79/99/42/1193799942.db2.gz VXBUFOVZMDLDQT-UHFFFAOYSA-N 1 0 308.429 3.387 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1C[C@@H]1C1CCCC1 ZINC001621107762 1193802764 /nfs/dbraw/zinc/80/27/64/1193802764.db2.gz YPKBEQNULBQDNF-UYAOXDASSA-N 1 0 314.473 3.439 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c(O)c1 ZINC001621203123 1193816389 /nfs/dbraw/zinc/81/63/89/1193816389.db2.gz ZXPOPZNZTVWLTH-QGZVFWFLSA-N 1 0 305.418 3.100 20 10 DGCDRO C[N@@H+](Cc1ccc(Cl)cc1O)C[C@H]1COc2ccccc2O1 ZINC001621223718 1193818937 /nfs/dbraw/zinc/81/89/37/1193818937.db2.gz UOUHJMBTWKBOLD-AWEZNQCLSA-N 1 0 319.788 3.317 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC001621250442 1193822916 /nfs/dbraw/zinc/82/29/16/1193822916.db2.gz IYCGXGRDINAUHM-QGZVFWFLSA-N 1 0 324.424 3.411 20 10 DGCDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001621272018 1193825022 /nfs/dbraw/zinc/82/50/22/1193825022.db2.gz RNMINDBPRWVBGS-UONOGXRCSA-N 1 0 320.477 3.223 20 10 DGCDRO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001621460370 1193845374 /nfs/dbraw/zinc/84/53/74/1193845374.db2.gz MQVBOFQMMHBMJE-UHFFFAOYSA-N 1 0 305.809 3.353 20 10 DGCDRO Cc1ccc(C[NH2+]CCc2ccc3c(c2)OCCCO3)c(O)c1 ZINC001621526804 1193854611 /nfs/dbraw/zinc/85/46/11/1193854611.db2.gz BKMCWCCNYNPXOL-UHFFFAOYSA-N 1 0 313.397 3.194 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3)CC2)c1 ZINC001621567807 1193859724 /nfs/dbraw/zinc/85/97/24/1193859724.db2.gz TZTRFOWJPNLAOE-LJQANCHMSA-N 1 0 313.397 3.364 20 10 DGCDRO C[N@H+](CCc1cccc(NC(=O)C2=CC(=O)CS2)c1)C1CC1 ZINC001624159963 1193983985 /nfs/dbraw/zinc/98/39/85/1193983985.db2.gz CVRWYPORVOXNSJ-UHFFFAOYSA-N 1 0 316.426 3.343 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)cc1 ZINC001646360760 1195224643 /nfs/dbraw/zinc/22/46/43/1195224643.db2.gz CQXHYKAXJBPOHH-OAQYLSRUSA-N 1 0 324.468 3.409 20 10 DGCDRO C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001647040760 1195242631 /nfs/dbraw/zinc/24/26/31/1195242631.db2.gz WVMARBMLLVYZSB-CHWSQXEVSA-N 1 0 300.805 3.147 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H](CC)N2CCCC2)ccc1OC ZINC001648772776 1195330751 /nfs/dbraw/zinc/33/07/51/1195330751.db2.gz WLCTYBZQEORBJS-GOSISDBHSA-N 1 0 320.477 3.196 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccnc1Br)c1ccccc1O ZINC001651502244 1195471490 /nfs/dbraw/zinc/47/14/90/1195471490.db2.gz XKCMMTMUUFHHHY-SNVBAGLBSA-N 1 0 307.191 3.401 20 10 DGCDRO Cc1ccc(CN(C)CC(=O)Nc2ccccc2Cl)c(O)c1 ZINC001651761195 1195506573 /nfs/dbraw/zinc/50/65/73/1195506573.db2.gz YOUGFCHTSWVGMF-UHFFFAOYSA-N 1 0 318.804 3.425 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccc(OC)c(F)c2)c(O)c1 ZINC001651878022 1195519246 /nfs/dbraw/zinc/51/92/46/1195519246.db2.gz URFIBRAYDNXIBU-UHFFFAOYSA-N 1 0 319.376 3.489 20 10 DGCDRO CCn1c2ccccc2nc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001652146468 1195553208 /nfs/dbraw/zinc/55/32/08/1195553208.db2.gz NRSKTQUVFPMGKV-UHFFFAOYSA-N 1 0 317.339 3.330 20 10 DGCDRO COC(=O)[C@@H](C)C[N@H+](Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC001652169134 1195558191 /nfs/dbraw/zinc/55/81/91/1195558191.db2.gz GBNUDZHYVWIHAE-NSHDSACASA-N 1 0 311.809 3.128 20 10 DGCDRO CC[NH+](CC)CCC[N@H+](CC)Cc1cc(C)cc(OC)c1O ZINC001652391285 1195591036 /nfs/dbraw/zinc/59/10/36/1195591036.db2.gz CYJDSCDFJJBEDB-UHFFFAOYSA-N 1 0 308.466 3.263 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cnn3ccccc23)cc1Cl ZINC001652443488 1195598248 /nfs/dbraw/zinc/59/82/48/1195598248.db2.gz JPIJQBUVAHWHIK-UHFFFAOYSA-N 1 0 301.777 3.292 20 10 DGCDRO COCC1(C[NH2+]Cc2c(C)cc(OC)cc2O)CCCCC1 ZINC001652590919 1195622422 /nfs/dbraw/zinc/62/24/22/1195622422.db2.gz PERUUCVKLABWDH-UHFFFAOYSA-N 1 0 307.434 3.396 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ncccc1F ZINC001652685328 1195636482 /nfs/dbraw/zinc/63/64/82/1195636482.db2.gz ZRUOMRNUIRBORX-CQSZACIVSA-N 1 0 301.409 3.316 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)c1O ZINC001653108630 1195688613 /nfs/dbraw/zinc/68/86/13/1195688613.db2.gz AQATWSGUOOLAFA-GFCCVEGCSA-N 1 0 305.365 3.434 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCC2(OC)CCC2)cc1 ZINC001654947282 1195858642 /nfs/dbraw/zinc/85/86/42/1195858642.db2.gz IDAAAYHHOYDADN-UHFFFAOYSA-N 1 0 306.450 3.022 20 10 DGCDRO CC(C)[C@H](CNC/C=C\c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC001655251090 1195896324 /nfs/dbraw/zinc/89/63/24/1195896324.db2.gz MCJKWYSVLUCBMO-AQWUKCDYSA-N 1 0 315.505 3.476 20 10 DGCDRO Clc1nc2ccccn2c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001655476362 1195922058 /nfs/dbraw/zinc/92/20/58/1195922058.db2.gz CGDPMJBVMZQHIY-UHFFFAOYSA-N 1 0 313.788 3.212 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(O)c(F)c2)cc1 ZINC001655693764 1195951750 /nfs/dbraw/zinc/95/17/50/1195951750.db2.gz RXDYACXKHRBYNI-ONEGZZNKSA-N 1 0 300.377 3.400 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2cncc(C)c2)ccc1OC ZINC001656018239 1195988348 /nfs/dbraw/zinc/98/83/48/1195988348.db2.gz MAAHVUSHGMXQKJ-UHFFFAOYSA-N 1 0 300.402 3.225 20 10 DGCDRO CCc1nnc([C@@H](C)NCc2ccc(N(CC)CC)cc2)[nH]1 ZINC001656027685 1195989809 /nfs/dbraw/zinc/98/98/09/1195989809.db2.gz BEZOYSZVGUZBBO-CYBMUJFWSA-N 1 0 301.438 3.064 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC2(C(=O)NCC)CCC2)cc1C ZINC001656175039 1196014090 /nfs/dbraw/zinc/01/40/90/1196014090.db2.gz XSXSTPLCXVBSAY-UHFFFAOYSA-N 1 0 318.461 3.180 20 10 DGCDRO CCCn1cc(C[NH2+]CCCSc2nccs2)c(C)n1 ZINC001656574841 1196051213 /nfs/dbraw/zinc/05/12/13/1196051213.db2.gz QPPOOEHYXNUPRC-UHFFFAOYSA-N 1 0 310.492 3.330 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2csc(C)n2)ccc1OC ZINC001656719416 1196064973 /nfs/dbraw/zinc/06/49/73/1196064973.db2.gz IKQRIDWMMPPUEW-UHFFFAOYSA-N 1 0 320.458 3.329 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1F ZINC001656844371 1196075446 /nfs/dbraw/zinc/07/54/46/1196075446.db2.gz DGZWRDFGRZGYSP-ZDUSSCGKSA-N 1 0 310.388 3.222 20 10 DGCDRO CCC[C@@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001657065327 1196100035 /nfs/dbraw/zinc/10/00/35/1196100035.db2.gz YAHWMNRRFOMDFI-CQSZACIVSA-N 1 0 318.383 3.412 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]([S@](C)=O)C2)cc1C ZINC001657085240 1196103558 /nfs/dbraw/zinc/10/35/58/1196103558.db2.gz JMQWWYACHHWWSU-XFQAVAEZSA-N 1 0 309.475 3.173 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)cc1F ZINC001657659710 1196166351 /nfs/dbraw/zinc/16/63/51/1196166351.db2.gz AUGSASSKROGUPA-OAHLLOKOSA-N 1 0 322.424 3.057 20 10 DGCDRO Cc1noc(-c2ccc(C[NH2+]Cc3cc(F)ccc3O)cc2)n1 ZINC001657674268 1196168447 /nfs/dbraw/zinc/16/84/47/1196168447.db2.gz OAQWNNJGRRWLPE-UHFFFAOYSA-N 1 0 313.332 3.180 20 10 DGCDRO C[C@@H](CCNCc1ccc(N(C)C)c(F)c1)[NH+]1CCCCC1 ZINC001657768183 1196176408 /nfs/dbraw/zinc/17/64/08/1196176408.db2.gz GUAYVAHQDUEYLA-HNNXBMFYSA-N 1 0 307.457 3.246 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2c3ccccc3CN2C)cc1F ZINC001657836744 1196182677 /nfs/dbraw/zinc/18/26/77/1196182677.db2.gz HPJAFEPVILLFFQ-LJQANCHMSA-N 1 0 313.420 3.168 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC001658298446 1196238564 /nfs/dbraw/zinc/23/85/64/1196238564.db2.gz QZBZNRQKZUVCGN-AWEZNQCLSA-N 1 0 310.388 3.121 20 10 DGCDRO CCCC[N@H+](CC[S@@](=O)C(F)(F)F)Cc1ccccc1O ZINC001658434187 1196256656 /nfs/dbraw/zinc/25/66/56/1196256656.db2.gz UCODXEAXRBBDGA-OAQYLSRUSA-N 1 0 323.380 3.263 20 10 DGCDRO C[C@H](CCO)[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001658469394 1196262378 /nfs/dbraw/zinc/26/23/78/1196262378.db2.gz WDZMIKXOAMEMLM-QGZVFWFLSA-N 1 0 324.468 3.452 20 10 DGCDRO Cc1csc(N2CCC([NH2+][C@H](C)c3ccccc3O)CC2)n1 ZINC001658523696 1196269164 /nfs/dbraw/zinc/26/91/64/1196269164.db2.gz IOHIACJRVYKDNC-CYBMUJFWSA-N 1 0 317.458 3.477 20 10 DGCDRO CCCSC[C@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001658537444 1196270808 /nfs/dbraw/zinc/27/08/08/1196270808.db2.gz FSMAYZJOJGZLPT-GJZGRUSLSA-N 1 0 308.491 3.395 20 10 DGCDRO COCC[N@H+](Cc1ccccc1)Cc1c(C)cc(OC)cc1O ZINC001658697975 1196289352 /nfs/dbraw/zinc/28/93/52/1196289352.db2.gz JZOMWMIOSZDRNN-UHFFFAOYSA-N 1 0 315.413 3.358 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2CCC(C)(C)C2)cc1 ZINC001658741137 1196295158 /nfs/dbraw/zinc/29/51/58/1196295158.db2.gz DMQBOCCPOQXERK-WAYWQWQTSA-N 1 0 301.478 3.087 20 10 DGCDRO CCC(CC)(C[NH2+]Cc1c(O)cc(C)cc1Cl)C(=O)OC ZINC001658791792 1196301867 /nfs/dbraw/zinc/30/18/67/1196301867.db2.gz QVTJOQFZVWOQHQ-UHFFFAOYSA-N 1 0 313.825 3.423 20 10 DGCDRO CCc1cccc(C[NH2+]CCOC(F)(F)C(F)(F)F)c1O ZINC001658847701 1196308014 /nfs/dbraw/zinc/30/80/14/1196308014.db2.gz HQRILFCWZHISJA-UHFFFAOYSA-N 1 0 313.266 3.216 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CCc2ccccc2)cc1Cl ZINC001658926623 1196320600 /nfs/dbraw/zinc/32/06/00/1196320600.db2.gz NTYDXURBQDXQCI-MRXNPFEDSA-N 1 0 319.832 3.437 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC001659381829 1196377588 /nfs/dbraw/zinc/37/75/88/1196377588.db2.gz WQCCSPZYKMNIRW-UHFFFAOYSA-N 1 0 317.820 3.331 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001659598256 1196398310 /nfs/dbraw/zinc/39/83/10/1196398310.db2.gz LZLPFNHAKDSTDX-HIFRSBDPSA-N 1 0 305.418 3.301 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC001659645676 1196403072 /nfs/dbraw/zinc/40/30/72/1196403072.db2.gz FSIWZWZQXQBIPO-UHFFFAOYSA-N 1 0 317.698 3.144 20 10 DGCDRO CCN(C)c1ccc(C[NH2+]CC2(C3(O)CCC3)CCC2)cc1 ZINC001660107328 1196446534 /nfs/dbraw/zinc/44/65/34/1196446534.db2.gz TXJOKENITIMSAZ-UHFFFAOYSA-N 1 0 302.462 3.318 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCCOc2cccc(F)c2)c1 ZINC001660172417 1196454345 /nfs/dbraw/zinc/45/43/45/1196454345.db2.gz QMZBZIPDRFDTRY-UHFFFAOYSA-N 1 0 305.349 3.099 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c(O)c1 ZINC001660194192 1196456508 /nfs/dbraw/zinc/45/65/08/1196456508.db2.gz FDEGPYAPJNDOPZ-AWEZNQCLSA-N 1 0 305.418 3.243 20 10 DGCDRO CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001660261738 1196463403 /nfs/dbraw/zinc/46/34/03/1196463403.db2.gz HPWDKKAWZKDILO-NSHDSACASA-N 1 0 302.821 3.395 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)c1 ZINC001660306453 1196469372 /nfs/dbraw/zinc/46/93/72/1196469372.db2.gz BDKNFFLCWHBVJZ-UHFFFAOYSA-N 1 0 307.397 3.391 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCC2(C)CC2)cc1C ZINC001662377231 1196713180 /nfs/dbraw/zinc/71/31/80/1196713180.db2.gz FYDRKSUXKAEYGA-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1)CCCO2 ZINC001662971225 1196778798 /nfs/dbraw/zinc/77/87/98/1196778798.db2.gz VCDQTDFDLZPDJV-MOPGFXCFSA-N 1 0 301.430 3.449 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCNc2ccc(C)cn2)cc1 ZINC001663334216 1196837341 /nfs/dbraw/zinc/83/73/41/1196837341.db2.gz YOYOMSNXQXEHES-UHFFFAOYSA-N 1 0 312.461 3.438 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)Cc1ccnc(OC)c1 ZINC001664577099 1197016582 /nfs/dbraw/zinc/01/65/82/1197016582.db2.gz MWRZKCUVGNXKQI-OAHLLOKOSA-N 1 0 313.445 3.397 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC001664745871 1197048731 /nfs/dbraw/zinc/04/87/31/1197048731.db2.gz BOBJTHXQIONZAR-UHFFFAOYSA-N 1 0 315.323 3.146 20 10 DGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001665018099 1197087591 /nfs/dbraw/zinc/08/75/91/1197087591.db2.gz KTZVNZZETHJWBJ-WBVHZDCISA-N 1 0 303.789 3.448 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c1O ZINC001665112016 1197098192 /nfs/dbraw/zinc/09/81/92/1197098192.db2.gz JBYNKMKSNVYLIF-INIZCTEOSA-N 1 0 307.434 3.411 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c(O)c1 ZINC001665122716 1197099785 /nfs/dbraw/zinc/09/97/85/1197099785.db2.gz JBWWLQRWGIHJQP-AWEZNQCLSA-N 1 0 305.418 3.291 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC001665269028 1197117053 /nfs/dbraw/zinc/11/70/53/1197117053.db2.gz BBAYKFYFPIULEM-LJQANCHMSA-N 1 0 304.478 3.482 20 10 DGCDRO C[C@@H]([NH2+]Cc1nc(Br)cs1)c1ccccc1O ZINC001665467200 1197140055 /nfs/dbraw/zinc/14/00/55/1197140055.db2.gz YBMSHCJIPUXHKM-MRVPVSSYSA-N 1 0 313.220 3.462 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1O ZINC001665650929 1197164370 /nfs/dbraw/zinc/16/43/70/1197164370.db2.gz MSVHUHDLDXTCSR-XLIONFOSSA-N 1 0 309.409 3.483 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC2CCC2)cc1C ZINC001666876740 1197293146 /nfs/dbraw/zinc/29/31/46/1197293146.db2.gz KCOIGEIIUIPEMC-OAHLLOKOSA-N 1 0 318.461 3.130 20 10 DGCDRO CC/C=C(\C)C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001668731773 1197427354 /nfs/dbraw/zinc/42/73/54/1197427354.db2.gz LPKDKTAEECZWBW-WLYYOSHGSA-N 1 0 316.445 3.122 20 10 DGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H](C)C(C)C)cc1C ZINC001669069326 1197439728 /nfs/dbraw/zinc/43/97/28/1197439728.db2.gz GGMGTJQVRHCYRD-MOEXGYKKSA-N 1 0 318.461 3.058 20 10 DGCDRO CC[C@@H](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001669280726 1197446899 /nfs/dbraw/zinc/44/68/99/1197446899.db2.gz MDHVMGKYOODBBU-UKRRQHHQSA-N 1 0 306.450 3.034 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCC(=O)N1CCCCC1 ZINC000322661349 1197687806 /nfs/dbraw/zinc/68/78/06/1197687806.db2.gz FYCVAOUACQKONV-LSDHHAIUSA-N 1 0 316.445 3.241 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H](CO)Cc1ccccc1 ZINC000322719862 1197689385 /nfs/dbraw/zinc/68/93/85/1197689385.db2.gz RZZMOPOJTCGOSW-XIRDDKMYSA-N 1 0 311.425 3.442 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC(=O)NCc1ccccc1 ZINC000324528114 1197693495 /nfs/dbraw/zinc/69/34/95/1197693495.db2.gz YUGMOOZVIDSECN-GDBMZVCRSA-N 1 0 324.424 3.155 20 10 DGCDRO CCC[NH+](CCC)CCCNC(=O)N[C@@H](C)c1ccccc1O ZINC001678194778 1198647221 /nfs/dbraw/zinc/64/72/21/1198647221.db2.gz UAVYZGMGVPTFMO-HNNXBMFYSA-N 1 0 321.465 3.265 20 10 DGCDRO CC[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001690143639 1200420756 /nfs/dbraw/zinc/42/07/56/1200420756.db2.gz YFLLBGCUCVVZOZ-DYVFJYSZSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(C)CCC2)cc1C ZINC001755247358 1200732159 /nfs/dbraw/zinc/73/21/59/1200732159.db2.gz ATGUKPAORGCHSQ-HUUCEWRRSA-N 1 0 318.461 3.177 20 10 DGCDRO CC/C=C(\C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001699647737 1202012514 /nfs/dbraw/zinc/01/25/14/1202012514.db2.gz SPNCTLBLUZRUFS-MKMNVTDBSA-N 1 0 316.445 3.098 20 10 DGCDRO C/C=C(\C)C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700652449 1202329558 /nfs/dbraw/zinc/32/95/58/1202329558.db2.gz HINIWKDTDUAHMH-CQMBDMNQSA-N 1 0 318.461 3.344 20 10 DGCDRO CC[C@@H](CNC(=O)[C@H](C)C(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715073267 1203263546 /nfs/dbraw/zinc/26/35/46/1203263546.db2.gz HWOJJAZMFPACSQ-WBVHZDCISA-N 1 0 320.477 3.280 20 10 DGCDRO CCC1(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001716449273 1203475670 /nfs/dbraw/zinc/47/56/70/1203475670.db2.gz GNJPBZNXUGKMIJ-HNNXBMFYSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)C2CC2)cc1C ZINC001732458618 1204852454 /nfs/dbraw/zinc/85/24/54/1204852454.db2.gz JXMQSLISRXWBFU-KRWDZBQOSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCC(C)C)cc1C ZINC001732945399 1204962255 /nfs/dbraw/zinc/96/22/55/1204962255.db2.gz KEVJUKBRKTUBPS-OAHLLOKOSA-N 1 0 306.450 3.034 20 10 DGCDRO CCC(CC)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001733965593 1205272892 /nfs/dbraw/zinc/27/28/92/1205272892.db2.gz VZRXMOVREHOUDG-HUUCEWRRSA-N 1 0 320.477 3.423 20 10 DGCDRO Cn1cncc1-c1cccc(N2CCCc3ccc(C[NH3+])nc32)c1 ZINC001169590895 1081600475 /nfs/dbraw/zinc/60/04/75/1081600475.db2.gz POPXAGWEYXQWEW-UHFFFAOYSA-N 1 0 319.412 3.025 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1O ZINC001169733744 1081645855 /nfs/dbraw/zinc/64/58/55/1081645855.db2.gz WXVWPFNUKNLYAD-WBVHZDCISA-N 1 0 324.424 3.348 20 10 DGCDRO CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H](C)C(=O)OCC ZINC001169932977 1081679258 /nfs/dbraw/zinc/67/92/58/1081679258.db2.gz FVOUOUNKJOERSL-HNNXBMFYSA-N 1 0 306.450 3.225 20 10 DGCDRO CSCCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691464158 1081806163 /nfs/dbraw/zinc/80/61/63/1081806163.db2.gz FCMMYYYDCGUDKF-UHFFFAOYSA-N 1 0 304.253 3.388 20 10 DGCDRO CCCO[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000706215854 1081928498 /nfs/dbraw/zinc/92/84/98/1081928498.db2.gz IQXBUZZQLCIMII-CYBMUJFWSA-N 1 0 314.223 3.156 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCOCC2)c1O ZINC001658605690 1082080927 /nfs/dbraw/zinc/08/09/27/1082080927.db2.gz OYJBHCRQZJWQCU-ZDUSSCGKSA-N 1 0 314.223 3.122 20 10 DGCDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140345327 1082149302 /nfs/dbraw/zinc/14/93/02/1082149302.db2.gz RRIHDCALIMLCTQ-QGZVFWFLSA-N 1 0 322.836 3.023 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC2CCCC2)cc1C ZINC001266918694 1082338810 /nfs/dbraw/zinc/33/88/10/1082338810.db2.gz DLDPUJSDODRCCW-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC2(C)C)cc1C ZINC001266963881 1082382548 /nfs/dbraw/zinc/38/25/48/1082382548.db2.gz IQLKNRNJYOWFPH-ZBFHGGJFSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C(F)=C2CCCC2)cc1C ZINC001125654191 1082687035 /nfs/dbraw/zinc/68/70/35/1082687035.db2.gz BECNVWANASUAQN-UHFFFAOYSA-N 1 0 320.408 3.007 20 10 DGCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1cc(Br)ccc1O ZINC000694082130 1082908982 /nfs/dbraw/zinc/90/89/82/1082908982.db2.gz OKORWBMUFQJZBU-NSHDSACASA-N 1 0 321.218 3.271 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[C@H]2C)cc1C ZINC001133058314 1083037743 /nfs/dbraw/zinc/03/77/43/1083037743.db2.gz WNCLVRSSLNKRFD-RHSMWYFYSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2CCC2)cc1C ZINC001133464673 1083129526 /nfs/dbraw/zinc/12/95/26/1083129526.db2.gz CGOXCLDXPTZQGX-LSDHHAIUSA-N 1 0 318.461 3.177 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C=C(C)C)cc1C ZINC001133587186 1083157769 /nfs/dbraw/zinc/15/77/69/1083157769.db2.gz RWTUUHAOSVQFDA-HOTGVXAUSA-N 1 0 318.461 3.343 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(Cl)c1 ZINC001140927229 1083189191 /nfs/dbraw/zinc/18/91/91/1083189191.db2.gz JXFQWTBSEHVNAW-WFASDCNBSA-N 1 0 306.837 3.207 20 10 DGCDRO C/C=C(\C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001134051649 1083233138 /nfs/dbraw/zinc/23/31/38/1083233138.db2.gz NFQZXFVMARTHGU-VFGVELGVSA-N 1 0 318.461 3.343 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)cc1 ZINC001170738769 1083261714 /nfs/dbraw/zinc/26/17/14/1083261714.db2.gz LDJXPJBXJLPNLG-XGWQRUHWSA-N 1 0 300.446 3.252 20 10 DGCDRO CCC(C)(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134681972 1083322107 /nfs/dbraw/zinc/32/21/07/1083322107.db2.gz OYSJPTNYHNYDIZ-QGZVFWFLSA-N 1 0 319.493 3.298 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(O)c1 ZINC001181089983 1083401043 /nfs/dbraw/zinc/40/10/43/1083401043.db2.gz WSTGTLXILSALDG-HNNXBMFYSA-N 1 0 305.418 3.100 20 10 DGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001181234103 1083437494 /nfs/dbraw/zinc/43/74/94/1083437494.db2.gz HBRBWKADHWFOGN-GOSISDBHSA-N 1 0 305.418 3.112 20 10 DGCDRO C[C@H](NCc1cc(F)c(F)cc1O)c1nc(C(C)(C)C)no1 ZINC001181435188 1083475007 /nfs/dbraw/zinc/47/50/07/1083475007.db2.gz AHSHNTAWAMTQDE-QMMMGPOBSA-N 1 0 311.332 3.202 20 10 DGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Br)cc2O)[C@H](C)O1 ZINC000686514698 1083689297 /nfs/dbraw/zinc/68/92/97/1083689297.db2.gz GZMZHENHHKLJQD-JFGNBEQYSA-N 1 0 314.223 3.058 20 10 DGCDRO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204346563 1083752936 /nfs/dbraw/zinc/75/29/36/1083752936.db2.gz VCHPPVXTOPHGQS-UHFFFAOYSA-N 1 0 305.349 3.268 20 10 DGCDRO O=c1cc[nH]c2cc(C[NH2+]Cc3ccc(Cl)cc3O)ccc12 ZINC001182782434 1083803581 /nfs/dbraw/zinc/80/35/81/1083803581.db2.gz RACRJMMAPNGFAN-UHFFFAOYSA-N 1 0 314.772 3.177 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(Br)cc2O)c1 ZINC001182960775 1083844563 /nfs/dbraw/zinc/84/45/63/1083844563.db2.gz USKCCUXJIGEXON-UHFFFAOYSA-N 1 0 322.202 3.459 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC001183822112 1084045662 /nfs/dbraw/zinc/04/56/62/1084045662.db2.gz CVKQFJAVYXBZEP-GOSISDBHSA-N 1 0 302.462 3.500 20 10 DGCDRO CCCC(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001268207985 1084328635 /nfs/dbraw/zinc/32/86/35/1084328635.db2.gz YYMFGPQBEXTOBA-INIZCTEOSA-N 1 0 306.450 3.034 20 10 DGCDRO CCOc1cccc(C[N@H+](C)CCc2ccc(OC)cc2)c1O ZINC001203609178 1084349304 /nfs/dbraw/zinc/34/93/04/1084349304.db2.gz KJMMKEIQVWJTDR-UHFFFAOYSA-N 1 0 315.413 3.474 20 10 DGCDRO CC[N@H+](Cc1c(O)cccc1Br)C1CCOCC1 ZINC000716482435 1084472315 /nfs/dbraw/zinc/47/23/15/1084472315.db2.gz QPBIMNFOZJBDQX-UHFFFAOYSA-N 1 0 314.223 3.156 20 10 DGCDRO O[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001474295178 1126204235 /nfs/dbraw/zinc/20/42/35/1126204235.db2.gz YEQBVODLAOKDFJ-WOJBJXKFSA-N 1 0 308.425 3.035 20 10 DGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC001474444698 1126204506 /nfs/dbraw/zinc/20/45/06/1126204506.db2.gz OEQVRKAUAKWAFV-MRXNPFEDSA-N 1 0 319.832 3.356 20 10 DGCDRO CCCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001270007545 1085650898 /nfs/dbraw/zinc/65/08/98/1085650898.db2.gz YZHWOMBOXTWZRX-KRWDZBQOSA-N 1 0 318.461 3.274 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CO)Cc1ccccc1C ZINC001656099140 1126256544 /nfs/dbraw/zinc/25/65/44/1126256544.db2.gz WLPDNIPUOZJXPS-GOSISDBHSA-N 1 0 322.452 3.488 20 10 DGCDRO CCCCCC[NH+]1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142520470 1087276223 /nfs/dbraw/zinc/27/62/23/1087276223.db2.gz KBRLRSXYGBDQSA-UHFFFAOYSA-N 1 0 312.404 3.368 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000697909851 1087378421 /nfs/dbraw/zinc/37/84/21/1087378421.db2.gz YKQCMCXGYOCSKN-ZDUSSCGKSA-N 1 0 322.449 3.205 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC(C)=C(C)C)cc1C ZINC001483255867 1087451026 /nfs/dbraw/zinc/45/10/26/1087451026.db2.gz OQYHDYVWZFORLH-INIZCTEOSA-N 1 0 318.461 3.344 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)CC(C)(C)C)cc1C ZINC001154662590 1088698656 /nfs/dbraw/zinc/69/86/56/1088698656.db2.gz RYQJPHXYEXXYSC-UHFFFAOYSA-N 1 0 306.450 3.036 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c(C)n1-c1ccccc1 ZINC001206655734 1089118885 /nfs/dbraw/zinc/11/88/85/1089118885.db2.gz IEFWFOZHXNXWDB-KRWDZBQOSA-N 1 0 319.399 3.262 20 10 DGCDRO CC(C)N(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC[NH2+]C1 ZINC001236525705 1089289643 /nfs/dbraw/zinc/28/96/43/1089289643.db2.gz BHURLQBQSYBHAL-LBPRGKRZSA-N 1 0 303.233 3.271 20 10 DGCDRO CCCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001484503857 1089445503 /nfs/dbraw/zinc/44/55/03/1089445503.db2.gz PGEODYPHYQULGU-MRXNPFEDSA-N 1 0 318.461 3.132 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C(C)C)cc1C ZINC001484999558 1089823084 /nfs/dbraw/zinc/82/30/84/1089823084.db2.gz DIYSXDLHYXMHGG-HOTGVXAUSA-N 1 0 320.477 3.280 20 10 DGCDRO CC/C(C)=C\C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001484991703 1089832417 /nfs/dbraw/zinc/83/24/17/1089832417.db2.gz JFISKJWGRSUFTR-QBOMHBFWSA-N 1 0 318.461 3.344 20 10 DGCDRO CCC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485185865 1090011888 /nfs/dbraw/zinc/01/18/88/1090011888.db2.gz AASRBNPYJUGJDM-LSDHHAIUSA-N 1 0 320.477 3.423 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)C)cc1C ZINC001485213802 1090032239 /nfs/dbraw/zinc/03/22/39/1090032239.db2.gz CCRRAVYUPHEBSD-KBPBESRZSA-N 1 0 306.450 3.033 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC2(C)C)cc1C ZINC001164312648 1090398915 /nfs/dbraw/zinc/39/89/15/1090398915.db2.gz UJYMJWKOXRVSSG-INIZCTEOSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1cc(C)c(C[NH+]2CCC(c3ccon3)CC2)c(O)c1 ZINC001206715294 1090606867 /nfs/dbraw/zinc/60/68/67/1090606867.db2.gz PYUPJXTTYIHMQY-UHFFFAOYSA-N 1 0 302.374 3.077 20 10 DGCDRO CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001168617189 1090624811 /nfs/dbraw/zinc/62/48/11/1090624811.db2.gz ICXBGCYOZYPUMP-HNNXBMFYSA-N 1 0 306.450 3.178 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCC2(C1)OCCO2)c1ccc(N(C)C)cc1 ZINC000715640437 1090666120 /nfs/dbraw/zinc/66/61/20/1090666120.db2.gz PTYOJYUFYMAFGZ-HOCLYGCPSA-N 1 0 304.434 3.089 20 10 DGCDRO Oc1ccccc1C[NH+]1C[C@@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001203551702 1090754454 /nfs/dbraw/zinc/75/44/54/1090754454.db2.gz KYFPMYVGDGCKSD-HZPDHXFCSA-N 1 0 314.454 3.018 20 10 DGCDRO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1O ZINC001203555708 1090754804 /nfs/dbraw/zinc/75/48/04/1090754804.db2.gz CQFIGTMSOJSVEL-ZFWWWQNUSA-N 1 0 320.433 3.270 20 10 DGCDRO Cc1cc(F)ccc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC001203558287 1090755612 /nfs/dbraw/zinc/75/56/12/1090755612.db2.gz BRRUBFINEMHPTD-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC001203558511 1090756075 /nfs/dbraw/zinc/75/60/75/1090756075.db2.gz LKUULAHUOYZDKQ-OAHLLOKOSA-N 1 0 313.397 3.346 20 10 DGCDRO COc1cccc(C[N@H+](CC(=O)c2ccccc2)C(C)C)c1O ZINC001203597044 1090764341 /nfs/dbraw/zinc/76/43/41/1090764341.db2.gz STVYLPCPQGMLMC-UHFFFAOYSA-N 1 0 313.397 3.494 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC001203628520 1090768784 /nfs/dbraw/zinc/76/87/84/1090768784.db2.gz AHKMRSPRDXWSAQ-SFHVURJKSA-N 1 0 313.397 3.444 20 10 DGCDRO COc1ccc(C[NH+]2CCC(c3cccc(O)c3)CC2)c(O)c1 ZINC001203634714 1090769925 /nfs/dbraw/zinc/76/99/25/1090769925.db2.gz RYLMGECGCXBENC-UHFFFAOYSA-N 1 0 313.397 3.486 20 10 DGCDRO COc1ccc(C[N@H+](C)CCC(=O)c2cccs2)c(O)c1 ZINC001203634434 1090770470 /nfs/dbraw/zinc/77/04/70/1090770470.db2.gz FZJQQUQQYIQCOH-UHFFFAOYSA-N 1 0 305.399 3.167 20 10 DGCDRO CC(C)CC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203657344 1090774927 /nfs/dbraw/zinc/77/49/27/1090774927.db2.gz JKVJHVUHISOMNS-UHFFFAOYSA-N 1 0 324.852 3.172 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC001203675150 1090777710 /nfs/dbraw/zinc/77/77/10/1090777710.db2.gz OYUUCRVOQKTANL-KRWDZBQOSA-N 1 0 317.360 3.193 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c1 ZINC001203675312 1090778278 /nfs/dbraw/zinc/77/82/78/1090778278.db2.gz UNJAFCKDOLLGOH-GOSISDBHSA-N 1 0 313.397 3.192 20 10 DGCDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001203682784 1090779909 /nfs/dbraw/zinc/77/99/09/1090779909.db2.gz NNYYHBSKTGTSQC-IWCQGFGOSA-N 1 0 318.436 3.044 20 10 DGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCN2C)cc1 ZINC001203770500 1090801003 /nfs/dbraw/zinc/80/10/03/1090801003.db2.gz GJYPYVZNRJNIJL-KRWDZBQOSA-N 1 0 315.486 3.178 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)cc1 ZINC001203930706 1090841542 /nfs/dbraw/zinc/84/15/42/1090841542.db2.gz FCYWKHQQHBNSLP-HNNXBMFYSA-N 1 0 316.367 3.032 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@](O)(CF)C2)cc1 ZINC001203936089 1090843610 /nfs/dbraw/zinc/84/36/10/1090843610.db2.gz ITNWTOYLFNMUSZ-GOSISDBHSA-N 1 0 308.441 3.219 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCN(C)c3ncccc3C2)cc1 ZINC001203939366 1090844556 /nfs/dbraw/zinc/84/45/56/1090844556.db2.gz PPUWLLLYAPKDOF-UHFFFAOYSA-N 1 0 324.472 3.380 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001203936250 1090844687 /nfs/dbraw/zinc/84/46/87/1090844687.db2.gz FQKREPHDPKJFRJ-MRXNPFEDSA-N 1 0 318.461 3.306 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)[C@H]2C)cc1 ZINC001203942414 1090845137 /nfs/dbraw/zinc/84/51/37/1090845137.db2.gz PMUUKCZFBIDTRU-QAPCUYQASA-N 1 0 318.461 3.306 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CCC(=O)OC)C2)cc1 ZINC001203942452 1090845621 /nfs/dbraw/zinc/84/56/21/1090845621.db2.gz QZGSMZPONPKCMB-KRWDZBQOSA-N 1 0 318.461 3.308 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3C)cc1 ZINC001203946850 1090848102 /nfs/dbraw/zinc/84/81/02/1090848102.db2.gz YHACHVVVABBPJI-HKUYNNGSSA-N 1 0 301.478 3.059 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104555 1090935137 /nfs/dbraw/zinc/93/51/37/1090935137.db2.gz VFUKOYVRWCVYLH-GOSISDBHSA-N 1 0 305.418 3.217 20 10 DGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1C ZINC001204272427 1090937901 /nfs/dbraw/zinc/93/79/01/1090937901.db2.gz NUMJWMJYEZXLKD-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO O=C1CC2(CC[NH+](Cc3ccc(O)cc3O)CC2)c2ccccc21 ZINC001204277245 1090938182 /nfs/dbraw/zinc/93/81/82/1090938182.db2.gz AHJDARWECCRJND-UHFFFAOYSA-N 1 0 323.392 3.218 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCCC3)cc2)[C@](C)(CO)C1 ZINC001204324947 1090949088 /nfs/dbraw/zinc/94/90/88/1090949088.db2.gz PNFIPRJFJCKFHC-IBGZPJMESA-N 1 0 302.462 3.270 20 10 DGCDRO CC(C)[N@@H+]1CCN(Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001204329201 1090950213 /nfs/dbraw/zinc/95/02/13/1090950213.db2.gz GSCSAYBLRMNKLR-KRWDZBQOSA-N 1 0 301.478 3.201 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc(O)c1O ZINC001204345741 1090952785 /nfs/dbraw/zinc/95/27/85/1090952785.db2.gz WIVODCPEYPKIDV-HNNXBMFYSA-N 1 0 313.397 3.171 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2cccc(C)c2)cc(O)c1O ZINC001204344016 1090953133 /nfs/dbraw/zinc/95/31/33/1090953133.db2.gz CGMHENMJVOMYLW-UHFFFAOYSA-N 1 0 301.386 3.089 20 10 DGCDRO COc1cc(C[N@H+](C)CCc2ccc(C)cc2)cc(O)c1O ZINC001204344438 1090953233 /nfs/dbraw/zinc/95/32/33/1090953233.db2.gz HHQRCAKZTUIUMY-UHFFFAOYSA-N 1 0 301.386 3.089 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)c2ccccc2F)c1 ZINC001168712459 1090973132 /nfs/dbraw/zinc/97/31/32/1090973132.db2.gz LJLQQVDSZQUSMV-NSHDSACASA-N 1 0 303.333 3.073 20 10 DGCDRO C[C@@]1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCCCO1 ZINC001205101920 1091102660 /nfs/dbraw/zinc/10/26/60/1091102660.db2.gz YOHVOEMNGXQVSA-MJGOQNOKSA-N 1 0 319.445 3.332 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@]1(C)O ZINC001138215640 1091118237 /nfs/dbraw/zinc/11/82/37/1091118237.db2.gz MNLFLLUJDZJLIO-APWZRJJASA-N 1 0 302.462 3.270 20 10 DGCDRO CN1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC001138220676 1091119437 /nfs/dbraw/zinc/11/94/37/1091119437.db2.gz MAMSWYIXGVPVLI-UYAOXDASSA-N 1 0 313.489 3.203 20 10 DGCDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138220941 1091119510 /nfs/dbraw/zinc/11/95/10/1091119510.db2.gz TWHDUDHMYUTBEK-OALUTQOASA-N 1 0 300.446 3.430 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001138220667 1091120336 /nfs/dbraw/zinc/12/03/36/1091120336.db2.gz LPOZHZWPSSAWPP-IEBWSBKVSA-N 1 0 300.446 3.288 20 10 DGCDRO Cc1c(C[NH+]2CCN(c3cccnc3)CC2)c2ccccc2n1C ZINC001138252445 1091126921 /nfs/dbraw/zinc/12/69/21/1091126921.db2.gz HPANIBLUUKEFCG-UHFFFAOYSA-N 1 0 320.440 3.204 20 10 DGCDRO CC1(F)CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337618 1091144782 /nfs/dbraw/zinc/14/47/82/1091144782.db2.gz BXMVKLURJYZOGO-UHFFFAOYSA-N 1 0 318.436 3.415 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)ccc21 ZINC001138354251 1091149670 /nfs/dbraw/zinc/14/96/70/1091149670.db2.gz CDVDXZILOQACOP-IEBWSBKVSA-N 1 0 300.446 3.070 20 10 DGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356165 1091149726 /nfs/dbraw/zinc/14/97/26/1091149726.db2.gz BHRWRPCMHURURR-SFHVURJKSA-N 1 0 302.462 3.458 20 10 DGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138357505 1091152744 /nfs/dbraw/zinc/15/27/44/1091152744.db2.gz HDTIWAMOLKXJEX-GOSISDBHSA-N 1 0 302.462 3.460 20 10 DGCDRO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC001138363879 1091154043 /nfs/dbraw/zinc/15/40/43/1091154043.db2.gz ROSNIZHVPDSQCP-NVXWUHKLSA-N 1 0 317.477 3.050 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c(OC)c1 ZINC001138386159 1091161026 /nfs/dbraw/zinc/16/10/26/1091161026.db2.gz IBNDMMLVDAJCOA-DNVCBOLYSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(OC)c1 ZINC001138386890 1091162812 /nfs/dbraw/zinc/16/28/12/1091162812.db2.gz ZGGZANFHYGHWSF-IBGZPJMESA-N 1 0 318.461 3.154 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C2CCOCC2)c(OC)c1 ZINC001138388193 1091163465 /nfs/dbraw/zinc/16/34/65/1091163465.db2.gz SBQDCMMKFYWIBN-UHFFFAOYSA-N 1 0 306.450 3.152 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)CCOCC3)c(OC)c1 ZINC001138389358 1091164029 /nfs/dbraw/zinc/16/40/29/1091164029.db2.gz NBIPMNXIZPBWSW-UHFFFAOYSA-N 1 0 318.461 3.154 20 10 DGCDRO CC(C)(C)OCCC[NH2+]Cc1cc(Br)ccc1O ZINC000695293231 1091227236 /nfs/dbraw/zinc/22/72/36/1091227236.db2.gz CWUQURZWYMEMRG-UHFFFAOYSA-N 1 0 316.239 3.450 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc3ccncc3s2)c(O)c1 ZINC001205517743 1091240867 /nfs/dbraw/zinc/24/08/67/1091240867.db2.gz WAMDEAHKFVZTBR-UHFFFAOYSA-N 1 0 300.383 3.300 20 10 DGCDRO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205591413 1091270856 /nfs/dbraw/zinc/27/08/56/1091270856.db2.gz MERHBIXPGSYGOY-CQSZACIVSA-N 1 0 321.223 3.352 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](C)CC[C@H]3CN)c2c1 ZINC001205842027 1091375370 /nfs/dbraw/zinc/37/53/70/1091375370.db2.gz MCDSCPSZOVBWGZ-ZFWWWQNUSA-N 1 0 314.429 3.113 20 10 DGCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001205853342 1091379617 /nfs/dbraw/zinc/37/96/17/1091379617.db2.gz IAJDBOPJTLHIHW-ZFWWWQNUSA-N 1 0 316.445 3.136 20 10 DGCDRO [NH3+][C@@H]1CN(Cc2cccc(-c3ccccc3)c2O)CC(F)(F)C1 ZINC001206138506 1091506855 /nfs/dbraw/zinc/50/68/55/1091506855.db2.gz CMCAZPVGUPDKLK-HNNXBMFYSA-N 1 0 318.367 3.228 20 10 DGCDRO CC(C)(C)c1cccc(CN2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206360739 1091597158 /nfs/dbraw/zinc/59/71/58/1091597158.db2.gz AGRHZKLICGMJTH-GOSISDBHSA-N 1 0 308.441 3.343 20 10 DGCDRO Cc1cc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)ccc1N(C)C ZINC001139670384 1091638362 /nfs/dbraw/zinc/63/83/62/1091638362.db2.gz LVGPABTUYHUREY-KRWDZBQOSA-N 1 0 302.462 3.046 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc2nsnc21 ZINC001206517767 1091657299 /nfs/dbraw/zinc/65/72/99/1091657299.db2.gz YVHHNCLQHMPDSG-UHFFFAOYSA-N 1 0 305.790 3.340 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC2(c3ccc4c(c3)OCO4)CC2)c1 ZINC001206714516 1091710367 /nfs/dbraw/zinc/71/03/67/1091710367.db2.gz HSQDGAGKCSXAHM-UHFFFAOYSA-N 1 0 311.381 3.251 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1)CCCO2 ZINC001202993741 1091739150 /nfs/dbraw/zinc/73/91/50/1091739150.db2.gz QAXCTXSZDAGFRF-RBUKOAKNSA-N 1 0 301.430 3.449 20 10 DGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)c1 ZINC001140060161 1091754624 /nfs/dbraw/zinc/75/46/24/1091754624.db2.gz NJNPCYPVBDSIGV-MRXNPFEDSA-N 1 0 316.376 3.278 20 10 DGCDRO CC[C@@H]1[N@H+](Cc2c(C)ccc(C)c2O)CCC[C@]12CCC(=O)N2 ZINC001140181387 1091794048 /nfs/dbraw/zinc/79/40/48/1091794048.db2.gz UBSOWTLBYMITRL-LPHOPBHVSA-N 1 0 316.445 3.032 20 10 DGCDRO Cc1ccc(C)c(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)c1O ZINC001140184471 1091794741 /nfs/dbraw/zinc/79/47/41/1091794741.db2.gz VQHIVOFXQXAKMB-FQEVSTJZSA-N 1 0 322.452 3.424 20 10 DGCDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(C)ccc(C)c3O)C2)nc1 ZINC001140185227 1091795335 /nfs/dbraw/zinc/79/53/35/1091795335.db2.gz SUJAIDWAWXKUTM-MRXNPFEDSA-N 1 0 312.413 3.366 20 10 DGCDRO Cc1cccc2c1C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140282885 1091814975 /nfs/dbraw/zinc/81/49/75/1091814975.db2.gz JCBKWGGVMOLXOK-UHFFFAOYSA-N 1 0 322.452 3.472 20 10 DGCDRO CCOC(=O)C(CC)(CC)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001207036336 1091825718 /nfs/dbraw/zinc/82/57/18/1091825718.db2.gz XOWGQERRTVEEIC-UHFFFAOYSA-N 1 0 319.445 3.471 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001140344245 1091834772 /nfs/dbraw/zinc/83/47/72/1091834772.db2.gz GRNBQMONMBNGDG-AWEZNQCLSA-N 1 0 318.804 3.484 20 10 DGCDRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)no1 ZINC001140462588 1091877007 /nfs/dbraw/zinc/87/70/07/1091877007.db2.gz IXTDSZJTPQEREU-LBPRGKRZSA-N 1 0 307.781 3.117 20 10 DGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001140466477 1091878182 /nfs/dbraw/zinc/87/81/82/1091878182.db2.gz HAFRKYYLNPOOCL-MRXNPFEDSA-N 1 0 318.804 3.484 20 10 DGCDRO Cc1cnc2n1CCC21CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140621415 1091935084 /nfs/dbraw/zinc/93/50/84/1091935084.db2.gz JCMGHFQXPXXUDX-UHFFFAOYSA-N 1 0 311.429 3.143 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)c1 ZINC001140623095 1091935168 /nfs/dbraw/zinc/93/51/68/1091935168.db2.gz LDHJAEVFKOCIKN-UHFFFAOYSA-N 1 0 320.433 3.047 20 10 DGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC001140623369 1091935207 /nfs/dbraw/zinc/93/52/07/1091935207.db2.gz OQEWAZOWOLWUKJ-CYBMUJFWSA-N 1 0 301.390 3.026 20 10 DGCDRO CC1(C)C[C@@H](C[N@@H+]2CCCc3cc(O)c(O)cc3C2)CCO1 ZINC001207364127 1091939267 /nfs/dbraw/zinc/93/92/67/1091939267.db2.gz UAWCCRCAQCLGOL-ZDUSSCGKSA-N 1 0 305.418 3.051 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)[C@H](C)C1 ZINC001140663748 1091949437 /nfs/dbraw/zinc/94/94/37/1091949437.db2.gz OHLDUXYZTSMBID-HUUCEWRRSA-N 1 0 306.425 3.283 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001140660519 1091949863 /nfs/dbraw/zinc/94/98/63/1091949863.db2.gz UTXCOOXYMOEYCN-HZPDHXFCSA-N 1 0 318.436 3.284 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)[C@@H](C)C1 ZINC001140663747 1091950226 /nfs/dbraw/zinc/95/02/26/1091950226.db2.gz OHLDUXYZTSMBID-GJZGRUSLSA-N 1 0 306.425 3.283 20 10 DGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CC2CCC(CC2)C1 ZINC001140664670 1091951778 /nfs/dbraw/zinc/95/17/78/1091951778.db2.gz OFBILHARDYPWSR-UHFFFAOYSA-N 1 0 318.436 3.284 20 10 DGCDRO Cc1ccccc1N1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140742685 1091982471 /nfs/dbraw/zinc/98/24/71/1091982471.db2.gz VHQCYBPDHOQBNJ-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO COc1cccc([C@@H]2CC[N@H+](Cc3ccc(O)c(C)c3O)C2)c1 ZINC001140750022 1091985317 /nfs/dbraw/zinc/98/53/17/1091985317.db2.gz SOKVFLXKVPILTA-OAHLLOKOSA-N 1 0 313.397 3.404 20 10 DGCDRO COc1cccc([C@H]2CC[N@H+](Cc3ccc(O)c(C)c3O)C2)c1 ZINC001140750021 1091986137 /nfs/dbraw/zinc/98/61/37/1091986137.db2.gz SOKVFLXKVPILTA-HNNXBMFYSA-N 1 0 313.397 3.404 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](C)(CO)CC2)c(O)c1 ZINC001140850241 1092029971 /nfs/dbraw/zinc/02/99/71/1092029971.db2.gz HSZCAGSDEFKRBF-IBGZPJMESA-N 1 0 320.477 3.223 20 10 DGCDRO CCCO[C@H]1CC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140854889 1092030647 /nfs/dbraw/zinc/03/06/47/1092030647.db2.gz GEILQRKPVHKYFQ-KRWDZBQOSA-N 1 0 306.450 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(O)c1 ZINC001140855557 1092031604 /nfs/dbraw/zinc/03/16/04/1092031604.db2.gz FDJBMUFQOGYFGD-LJQANCHMSA-N 1 0 318.461 3.241 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2c[nH]c(=O)c3ccccc23)c1O ZINC001207595126 1092032868 /nfs/dbraw/zinc/03/28/68/1092032868.db2.gz RMZJHWNIQKWWCU-UHFFFAOYSA-N 1 0 324.380 3.253 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c(Cl)c1 ZINC001140922449 1092063025 /nfs/dbraw/zinc/06/30/25/1092063025.db2.gz RBUATCAPHMUZOD-KRWDZBQOSA-N 1 0 310.869 3.389 20 10 DGCDRO CN(C)c1ccc(CN2CCC([NH+]3CCCC3)CC2)c(Cl)c1 ZINC001140922013 1092063863 /nfs/dbraw/zinc/06/38/63/1092063863.db2.gz ZWODBTCEPRCDIT-UHFFFAOYSA-N 1 0 321.896 3.466 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2cccc(CC)c2O)CCCC1 ZINC001207707956 1092073523 /nfs/dbraw/zinc/07/35/23/1092073523.db2.gz KHHQOQHDOQNJTL-UHFFFAOYSA-N 1 0 305.418 3.168 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140949504 1092075457 /nfs/dbraw/zinc/07/54/57/1092075457.db2.gz CEWUFFUONCXTBK-OAHLLOKOSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1 ZINC001140953572 1092076642 /nfs/dbraw/zinc/07/66/42/1092076642.db2.gz CEZVYOHVZQEUFL-ICSRJNTNSA-N 1 0 322.452 3.407 20 10 DGCDRO Cc1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140953587 1092076881 /nfs/dbraw/zinc/07/68/81/1092076881.db2.gz CLLXAMKYTJIRFB-HDICACEKSA-N 1 0 308.425 3.269 20 10 DGCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(C)cc3O)C2)c1 ZINC001140954237 1092080594 /nfs/dbraw/zinc/08/05/94/1092080594.db2.gz NSNCOOCOVJXASX-KRWDZBQOSA-N 1 0 312.413 3.447 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CC3CCSCC3)CC2)cc1 ZINC001207756384 1092092080 /nfs/dbraw/zinc/09/20/80/1092092080.db2.gz HYOJVCJFUHHMOT-UHFFFAOYSA-N 1 0 320.502 3.351 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2c[nH]nc2C(F)(F)F)cc1 ZINC001141018031 1092107884 /nfs/dbraw/zinc/10/78/84/1092107884.db2.gz GHIZUSMUELLMOP-UHFFFAOYSA-N 1 0 312.339 3.127 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCc3sccc3C2)c(OC)c1 ZINC001141026354 1092111476 /nfs/dbraw/zinc/11/14/76/1092111476.db2.gz NGJKBIHVHFTHEH-UHFFFAOYSA-N 1 0 305.399 3.029 20 10 DGCDRO COc1cc(O)c(CN2CCC[C@@H]2c2cc(C)on2)c(OC)c1 ZINC001141032182 1092112873 /nfs/dbraw/zinc/11/28/73/1092112873.db2.gz VBTAVXVCWLYGTB-OAHLLOKOSA-N 1 0 318.373 3.043 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC1=O ZINC001141074633 1092129823 /nfs/dbraw/zinc/12/98/23/1092129823.db2.gz OXRQOAGLJHIEHN-HNNXBMFYSA-N 1 0 312.457 3.186 20 10 DGCDRO CC[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1CCOCC1 ZINC001141075850 1092130254 /nfs/dbraw/zinc/13/02/54/1092130254.db2.gz COSSXGZTLFSYAU-UHFFFAOYSA-N 1 0 314.473 3.386 20 10 DGCDRO Cc1ccc(CCC[N@@H+]2CCCc3cc(O)c(O)cc3C2)o1 ZINC001207951039 1092154774 /nfs/dbraw/zinc/15/47/74/1092154774.db2.gz SAQORHDGXALSPY-UHFFFAOYSA-N 1 0 301.386 3.380 20 10 DGCDRO Cc1ccc([C@]2(C)C[N@H+](Cc3cc(O)ccc3O)CCO2)cc1 ZINC001141160787 1092155364 /nfs/dbraw/zinc/15/53/64/1092155364.db2.gz IPJVZHFAXSAELW-IBGZPJMESA-N 1 0 313.397 3.154 20 10 DGCDRO Cc1cccc(OC2CC[NH+](Cc3cc(O)ccc3O)CC2)c1 ZINC001141160663 1092156035 /nfs/dbraw/zinc/15/60/35/1092156035.db2.gz GVKNXZSNBVMBLR-UHFFFAOYSA-N 1 0 313.397 3.450 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CC[C@@H](C)SC)CC2)cc1 ZINC001208147164 1092220067 /nfs/dbraw/zinc/22/00/67/1092220067.db2.gz GBQTXLBBUSIGAJ-OAHLLOKOSA-N 1 0 308.491 3.349 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c1O ZINC001143112337 1092616397 /nfs/dbraw/zinc/61/63/97/1092616397.db2.gz QVXGBPIDLKTNIG-UHFFFAOYSA-N 1 0 312.413 3.349 20 10 DGCDRO CN1C[C@H]2CCC[N@H+](Cc3cccc(C(C)(C)C)c3O)[C@H]2C1 ZINC001143110869 1092616433 /nfs/dbraw/zinc/61/64/33/1092616433.db2.gz RYUVHJGZUYAGAM-PBHICJAKSA-N 1 0 302.462 3.216 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1O ZINC001143111116 1092616798 /nfs/dbraw/zinc/61/67/98/1092616798.db2.gz YDQMUDZLXRUTQQ-HNNXBMFYSA-N 1 0 314.433 3.118 20 10 DGCDRO CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1O ZINC001143112867 1092617901 /nfs/dbraw/zinc/61/79/01/1092617901.db2.gz ZWXSTHVHJYYHHE-ULAZLLGUSA-N 1 0 301.430 3.299 20 10 DGCDRO C[N@@H+]1CCC[C@]2(CCCN(Cc3cc(Cl)c(O)cc3O)C2)C1 ZINC001276617072 1092662410 /nfs/dbraw/zinc/66/24/10/1092662410.db2.gz NLPIRAUNTDAVMK-KRWDZBQOSA-N 1 0 324.852 3.059 20 10 DGCDRO Oc1cc2c(cc1O)C[N@H+](CC1Cc3ccccc3C1)CCC2 ZINC001209322696 1092735962 /nfs/dbraw/zinc/73/59/62/1092735962.db2.gz UVKCWLCFWIYQMP-UHFFFAOYSA-N 1 0 309.409 3.261 20 10 DGCDRO Oc1cccc2c1C[N@H+](Cc1c[nH]c3ncc(Cl)cc13)CC2 ZINC001209600889 1092843279 /nfs/dbraw/zinc/84/32/79/1092843279.db2.gz SPPJNKZZJLIOJF-UHFFFAOYSA-N 1 0 313.788 3.480 20 10 DGCDRO C[C@H]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC[NH2+]1 ZINC001210517896 1093194591 /nfs/dbraw/zinc/19/45/91/1093194591.db2.gz ABIKNOGMKDHQPO-AWEZNQCLSA-N 1 0 314.404 3.382 20 10 DGCDRO CN(C)c1ccc([C@@H](CNC(=O)OC2CCCC2)[NH+](C)C)cc1 ZINC001213978985 1093691789 /nfs/dbraw/zinc/69/17/89/1093691789.db2.gz WBTCBTGLHVFQPP-QGZVFWFLSA-N 1 0 319.449 3.024 20 10 DGCDRO CC[N@@H+](Cc1ccc(N)cc1)CC1CCN(c2ccccn2)CC1 ZINC001120371390 1094416902 /nfs/dbraw/zinc/41/69/02/1094416902.db2.gz XKTYYGLUMUVAHG-UHFFFAOYSA-N 1 0 324.472 3.402 20 10 DGCDRO CC(C)(C)[C@H]([NH3+])Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217737762 1094487110 /nfs/dbraw/zinc/48/71/10/1094487110.db2.gz GMKXBJMZDFCFJD-OAHLLOKOSA-N 1 0 310.401 3.443 20 10 DGCDRO OC1(C2(C[NH2+]Cc3ccc(N4CCCC4)cc3)CC2)CCC1 ZINC001336874610 1094767803 /nfs/dbraw/zinc/76/78/03/1094767803.db2.gz VFRDRMHLIFNWNB-UHFFFAOYSA-N 1 0 300.446 3.072 20 10 DGCDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001218956036 1094914089 /nfs/dbraw/zinc/91/40/89/1094914089.db2.gz SIJDCGIGLBCGOR-DNVCBOLYSA-N 1 0 323.440 3.190 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c1O ZINC000691434557 1094943198 /nfs/dbraw/zinc/94/31/98/1094943198.db2.gz BSQGOLBWXGRTNB-UHFFFAOYSA-N 1 0 321.424 3.489 20 10 DGCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CC[NH2+]3)cc2)cc1 ZINC001219203720 1094950683 /nfs/dbraw/zinc/95/06/83/1094950683.db2.gz MHUOWZRZMAQORF-RTLBZRNLSA-N 1 0 321.424 3.223 20 10 DGCDRO Oc1ccc(C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)cc1O ZINC001171025572 1095151067 /nfs/dbraw/zinc/15/10/67/1095151067.db2.gz NLDPXFSLQOYJLF-CYBMUJFWSA-N 1 0 303.789 3.398 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@]23CCC[NH2+]C3)c2ccccc21 ZINC001222191625 1095483919 /nfs/dbraw/zinc/48/39/19/1095483919.db2.gz NYXLSJPRCGPQPP-FQEVSTJZSA-N 1 0 309.457 3.234 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222271029 1095523089 /nfs/dbraw/zinc/52/30/89/1095523089.db2.gz BTPIIRBEIDKHCP-SFHVURJKSA-N 1 0 321.896 3.372 20 10 DGCDRO Cc1cc(Cl)cc(CN2CCC[C@]3(CCC[NH2+]C3)C2)c1O ZINC001222278171 1095525990 /nfs/dbraw/zinc/52/59/90/1095525990.db2.gz XMULQZDLUIQKCX-KRWDZBQOSA-N 1 0 308.853 3.320 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222282298 1095528317 /nfs/dbraw/zinc/52/83/17/1095528317.db2.gz ILXOTERHUJYJTJ-FQEVSTJZSA-N 1 0 309.457 3.422 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222288439 1095531599 /nfs/dbraw/zinc/53/15/99/1095531599.db2.gz YOQKSMCBHGDJKZ-CQSZACIVSA-N 1 0 301.217 3.027 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCC(C)(C)C3)cc2F)CC1 ZINC001116440410 1095552244 /nfs/dbraw/zinc/55/22/44/1095552244.db2.gz SSLUUTVZGIVFGN-MRXNPFEDSA-N 1 0 319.468 3.246 20 10 DGCDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116443247 1095553267 /nfs/dbraw/zinc/55/32/67/1095553267.db2.gz LLDGTPZXTDPDEI-JKSUJKDBSA-N 1 0 319.468 3.198 20 10 DGCDRO CC[C@@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1ccc(N(C)C)cc1 ZINC001116459165 1095563231 /nfs/dbraw/zinc/56/32/31/1095563231.db2.gz BUEGJUIQOPRTTG-QGZVFWFLSA-N 1 0 314.433 3.106 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C=C2CCCCC2)cc1C ZINC001124386368 1095586097 /nfs/dbraw/zinc/58/60/97/1095586097.db2.gz JAKVROHKHALISB-UHFFFAOYSA-N 1 0 316.445 3.100 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)ccc1N(C)C ZINC001139669622 1095599958 /nfs/dbraw/zinc/59/99/58/1095599958.db2.gz DRMGAJMATHHVIR-AEFFLSMTSA-N 1 0 300.446 3.395 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)ccc1N(C)C ZINC001139669624 1095600684 /nfs/dbraw/zinc/60/06/84/1095600684.db2.gz DRMGAJMATHHVIR-SJLPKXTDSA-N 1 0 300.446 3.395 20 10 DGCDRO CNC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)c1 ZINC001116585213 1095608592 /nfs/dbraw/zinc/60/85/92/1095608592.db2.gz UBIHOUAWDWPURT-BBRMVZONSA-N 1 0 324.424 3.398 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001116588406 1095608667 /nfs/dbraw/zinc/60/86/67/1095608667.db2.gz FEAUNRQCHOJMJY-MGPQQGTHSA-N 1 0 316.445 3.238 20 10 DGCDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001339509749 1095643833 /nfs/dbraw/zinc/64/38/33/1095643833.db2.gz MSSAJYJAAOAFCR-HOTGVXAUSA-N 1 0 321.484 3.492 20 10 DGCDRO Oc1cc(Cl)ccc1CN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222564029 1095669230 /nfs/dbraw/zinc/66/92/30/1095669230.db2.gz TYVSPDKQCNVNHF-IRXDYDNUSA-N 1 0 314.816 3.117 20 10 DGCDRO COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C)[C@@H]1CCCO1 ZINC001116853457 1095679916 /nfs/dbraw/zinc/67/99/16/1095679916.db2.gz HBOPHCGCIYFFIE-NYTXWWLZSA-N 1 0 305.418 3.033 20 10 DGCDRO CC[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(C)cc1O ZINC001116889984 1095692827 /nfs/dbraw/zinc/69/28/27/1095692827.db2.gz LUYGCSIBOAHMDP-WBVHZDCISA-N 1 0 318.461 3.390 20 10 DGCDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509224 1095698391 /nfs/dbraw/zinc/69/83/91/1095698391.db2.gz PSBNKQIHUSSYNR-OAHLLOKOSA-N 1 0 315.369 3.149 20 10 DGCDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1c(O)cc(O)cc1O ZINC001144515696 1095700348 /nfs/dbraw/zinc/70/03/48/1095700348.db2.gz VZGHOVQKASSOQR-UHFFFAOYSA-N 1 0 307.777 3.479 20 10 DGCDRO CN(C)c1cc[nH+]c(CNCc2ccc(N3CCCC3)cc2)c1 ZINC001339895321 1095771569 /nfs/dbraw/zinc/77/15/69/1095771569.db2.gz KCLUNCAAQNVIPD-UHFFFAOYSA-N 1 0 310.445 3.038 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1CCN(c2ccc(F)c(F)c2)CC1 ZINC001138122644 1095894750 /nfs/dbraw/zinc/89/47/50/1095894750.db2.gz RRELTGOVCTWMJY-UHFFFAOYSA-N 1 0 322.330 3.132 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001138129669 1095899514 /nfs/dbraw/zinc/89/95/14/1095899514.db2.gz QFPHRVAWVYHYGI-UHFFFAOYSA-N 1 0 300.377 3.381 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001138131305 1095901021 /nfs/dbraw/zinc/90/10/21/1095901021.db2.gz VJPJTKYRTYWBNU-HZPDHXFCSA-N 1 0 312.388 3.100 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@]23CCOC3)ccc1N1CCCCC1 ZINC001117989358 1095914900 /nfs/dbraw/zinc/91/49/00/1095914900.db2.gz HVWYHQGRFCQRMV-IBGZPJMESA-N 1 0 300.446 3.350 20 10 DGCDRO C[C@H]([NH2+]CCCC[NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC001118121248 1095938087 /nfs/dbraw/zinc/93/80/87/1095938087.db2.gz CWCFRULZTMAMSI-QMMMGPOBSA-N 1 0 321.646 3.198 20 10 DGCDRO CCC[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCN(C)C1 ZINC001118201657 1095958130 /nfs/dbraw/zinc/95/81/30/1095958130.db2.gz LUHRZBZECRNLOA-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001118559743 1096035196 /nfs/dbraw/zinc/03/51/96/1096035196.db2.gz QWZPYDWBMNSGGW-IBGZPJMESA-N 1 0 300.446 3.289 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001118559744 1096036151 /nfs/dbraw/zinc/03/61/51/1096036151.db2.gz QWZPYDWBMNSGGW-LJQANCHMSA-N 1 0 300.446 3.289 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172622355 1097206326 /nfs/dbraw/zinc/20/63/26/1097206326.db2.gz KIKBWWXSWNUDEL-AEFFLSMTSA-N 1 0 318.461 3.306 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001172797526 1097253650 /nfs/dbraw/zinc/25/36/50/1097253650.db2.gz IDLDQVIEIHDTCH-HUUCEWRRSA-N 1 0 305.418 3.221 20 10 DGCDRO COC(=O)CCCC[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001173460983 1097453398 /nfs/dbraw/zinc/45/33/98/1097453398.db2.gz JGMIVEWTMFHHSJ-OAHLLOKOSA-N 1 0 306.450 3.306 20 10 DGCDRO CCOC(=O)[C@H]1CC12CCC([NH2+]Cc1cccc(C)c1O)CC2 ZINC001173607667 1097471601 /nfs/dbraw/zinc/47/16/01/1097471601.db2.gz YEPBSVFGNODIHU-KOHRHEQBSA-N 1 0 317.429 3.302 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001173647823 1097491398 /nfs/dbraw/zinc/49/13/98/1097491398.db2.gz CCTDMENUCJMIAF-CABCVRRESA-N 1 0 305.418 3.221 20 10 DGCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@H](C)C2)c1O ZINC001231547843 1097777501 /nfs/dbraw/zinc/77/75/01/1097777501.db2.gz KIYMDDNORIEDKZ-JTQLQIEISA-N 1 0 314.223 3.395 20 10 DGCDRO CC[C@H](C)[N@H+](C)Cc1c(Br)ccc(OC)c1O ZINC001231549469 1097777727 /nfs/dbraw/zinc/77/77/27/1097777727.db2.gz BANWRFQPFWFCTI-VIFPVBQESA-N 1 0 302.212 3.394 20 10 DGCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C)C2)c1O ZINC001231547844 1097778022 /nfs/dbraw/zinc/77/80/22/1097778022.db2.gz KIYMDDNORIEDKZ-SNVBAGLBSA-N 1 0 314.223 3.395 20 10 DGCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C)c1O ZINC001231548219 1097778047 /nfs/dbraw/zinc/77/80/47/1097778047.db2.gz PYYMBOCQIPNJTJ-VIFPVBQESA-N 1 0 300.196 3.148 20 10 DGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001231587857 1097785282 /nfs/dbraw/zinc/78/52/82/1097785282.db2.gz HGAWWXFPFKUHMQ-GOSISDBHSA-N 1 0 303.377 3.232 20 10 DGCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)O1 ZINC001231590573 1097785766 /nfs/dbraw/zinc/78/57/66/1097785766.db2.gz IAWKWIQESYOGCK-LJQANCHMSA-N 1 0 311.381 3.217 20 10 DGCDRO Cc1ccc(C2(O)CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC001231591166 1097786948 /nfs/dbraw/zinc/78/69/48/1097786948.db2.gz VDUXGVFZZAAITL-UHFFFAOYSA-N 1 0 311.425 3.493 20 10 DGCDRO Cc1cccc(C[NH+]2CCC(COc3cccnc3)CC2)c1O ZINC001231591823 1097786975 /nfs/dbraw/zinc/78/69/75/1097786975.db2.gz LJTSHHHEOMOZRT-UHFFFAOYSA-N 1 0 312.413 3.387 20 10 DGCDRO Cc1cccc(C[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C)c1O ZINC001231592296 1097787011 /nfs/dbraw/zinc/78/70/11/1097787011.db2.gz GVZFJXKROSKLNE-UHFFFAOYSA-N 1 0 322.449 3.436 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cccc(C)c2O)C1 ZINC001231590859 1097787075 /nfs/dbraw/zinc/78/70/75/1097787075.db2.gz ISOTZNHRKDNHFK-SFHVURJKSA-N 1 0 305.418 3.256 20 10 DGCDRO CCc1noc(C2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC001231593936 1097787188 /nfs/dbraw/zinc/78/71/88/1097787188.db2.gz PBBDSHNMSPHEJE-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)c1 ZINC001231594340 1097787987 /nfs/dbraw/zinc/78/79/87/1097787987.db2.gz BRHLBTFFOCPQHU-QGZVFWFLSA-N 1 0 312.413 3.447 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(c3cccc(F)c3)CC2)c1O ZINC001231594634 1097788395 /nfs/dbraw/zinc/78/83/95/1097788395.db2.gz MCWBRICNILKCAM-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO COc1cc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c(O)cc1O ZINC001231638294 1097797901 /nfs/dbraw/zinc/79/79/01/1097797901.db2.gz XFEZXRISXRLZHV-UHFFFAOYSA-N 1 0 309.381 3.211 20 10 DGCDRO Cc1cc(Nc2ccc(-c3ccc(N)c(O)c3)cc2O)cc[nH+]1 ZINC001174657553 1097805463 /nfs/dbraw/zinc/80/54/63/1097805463.db2.gz KBRFYKCTPZLWRW-UHFFFAOYSA-N 1 0 307.353 3.216 20 10 DGCDRO Cc1cc(C)c(C[N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001231845577 1097862396 /nfs/dbraw/zinc/86/23/96/1097862396.db2.gz BGTUFBKOZCGBIC-UHFFFAOYSA-N 1 0 320.433 3.060 20 10 DGCDRO Cc1cc(C)c(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c(O)c1 ZINC001231848744 1097863590 /nfs/dbraw/zinc/86/35/90/1097863590.db2.gz KVVKUYIYOJIRDX-HXUWFJFHSA-N 1 0 322.452 3.424 20 10 DGCDRO Cc1noc(C2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)n1 ZINC001231849120 1097863634 /nfs/dbraw/zinc/86/36/34/1097863634.db2.gz NFRYDAZKGXFHPY-UHFFFAOYSA-N 1 0 301.390 3.080 20 10 DGCDRO COc1cc(N(C)C)ccc1CN1CCc2sccc2C1 ZINC001231851820 1097865537 /nfs/dbraw/zinc/86/55/37/1097865537.db2.gz NCEIOCLTNPZDNP-UHFFFAOYSA-N 1 0 302.443 3.381 20 10 DGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)[C@H]1C ZINC001231870614 1097871314 /nfs/dbraw/zinc/87/13/14/1097871314.db2.gz MBFOOMYMVWPGJU-AAEUAGOBSA-N 1 0 311.809 3.128 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)[C@H]1C ZINC001231870615 1097871687 /nfs/dbraw/zinc/87/16/87/1097871687.db2.gz MBFOOMYMVWPGJU-WCQYABFASA-N 1 0 311.809 3.128 20 10 DGCDRO Clc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232198642 1097963107 /nfs/dbraw/zinc/96/31/07/1097963107.db2.gz ZEGAYLUMWPGLTQ-HZPDHXFCSA-N 1 0 320.864 3.409 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198259 1097963524 /nfs/dbraw/zinc/96/35/24/1097963524.db2.gz NTCXZOYMRBJCLS-AWEZNQCLSA-N 1 0 308.853 3.409 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(COC)n1 ZINC001232260620 1097984472 /nfs/dbraw/zinc/98/44/72/1097984472.db2.gz OCEPQXJZBAPLPQ-UHFFFAOYSA-N 1 0 313.445 3.316 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1Cl ZINC001232264764 1097985931 /nfs/dbraw/zinc/98/59/31/1097985931.db2.gz MCRLGBZJASOPMU-CYBMUJFWSA-N 1 0 318.804 3.439 20 10 DGCDRO COc1cc(O)c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1Cl ZINC001232267170 1097986226 /nfs/dbraw/zinc/98/62/26/1097986226.db2.gz YTWIEZXRKOTWOW-ZJUUUORDSA-N 1 0 303.736 3.141 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1Cl ZINC001232263382 1097986589 /nfs/dbraw/zinc/98/65/89/1097986589.db2.gz OMZGNYOMFYAPCD-CQSZACIVSA-N 1 0 304.777 3.483 20 10 DGCDRO Cc1ccnn1C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232263736 1097986642 /nfs/dbraw/zinc/98/66/42/1097986642.db2.gz UXNHDDUIZSOTSX-UHFFFAOYSA-N 1 0 321.808 3.093 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)cc1Cl ZINC001232266164 1097987354 /nfs/dbraw/zinc/98/73/54/1097987354.db2.gz JMMLXQLACZDTKI-MRXNPFEDSA-N 1 0 311.809 3.199 20 10 DGCDRO COc1cc(O)c(C[NH+]2CCC3(CCCO3)CC2)cc1Cl ZINC001232270140 1097988010 /nfs/dbraw/zinc/98/80/10/1097988010.db2.gz VDDBCIBUKUFALZ-UHFFFAOYSA-N 1 0 311.809 3.199 20 10 DGCDRO CCOC(=O)c1sc(-c2ccc(O)c(C[NH+](C)C)c2)nc1C ZINC001232450299 1098041790 /nfs/dbraw/zinc/04/17/90/1098041790.db2.gz FXEUDINLBGRULL-UHFFFAOYSA-N 1 0 320.414 3.062 20 10 DGCDRO C[N@@H+]1CCC=C(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)C1 ZINC001175578531 1098104581 /nfs/dbraw/zinc/10/45/81/1098104581.db2.gz LSRBZDQKBTXCTN-UHFFFAOYSA-N 1 0 323.396 3.119 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc(Cl)s2)c(O)c1 ZINC001232834978 1098148258 /nfs/dbraw/zinc/14/82/58/1098148258.db2.gz SSINHUNVJDCTSC-UHFFFAOYSA-N 1 0 311.838 3.200 20 10 DGCDRO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2O)no1 ZINC001232835086 1098148285 /nfs/dbraw/zinc/14/82/85/1098148285.db2.gz VJLLAEUUPFYAOX-MRXNPFEDSA-N 1 0 301.390 3.092 20 10 DGCDRO CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(N(C)C)cc1O ZINC001232838688 1098149413 /nfs/dbraw/zinc/14/94/13/1098149413.db2.gz BSRDAMQSPOXOEF-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c(O)c1 ZINC001232839804 1098149444 /nfs/dbraw/zinc/14/94/44/1098149444.db2.gz VYAILGQYUPAGON-HNNXBMFYSA-N 1 0 311.429 3.233 20 10 DGCDRO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2O)cn1 ZINC001232841068 1098150662 /nfs/dbraw/zinc/15/06/62/1098150662.db2.gz RKVBICJAYAYPLJ-GOSISDBHSA-N 1 0 311.429 3.499 20 10 DGCDRO COc1ccc([C@H](C)[N@H+](C)Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233016833 1098203931 /nfs/dbraw/zinc/20/39/31/1098203931.db2.gz PUGONHVIKRDSKL-NSHDSACASA-N 1 0 303.358 3.005 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C2)cc1Br ZINC001233135215 1098235403 /nfs/dbraw/zinc/23/54/03/1098235403.db2.gz OTWCDRCRKPJGFS-SECBINFHSA-N 1 0 300.196 3.005 20 10 DGCDRO COC(=O)CC1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233284458 1098275331 /nfs/dbraw/zinc/27/53/31/1098275331.db2.gz VKRJBCNCTCKVQO-UHFFFAOYSA-N 1 0 319.445 3.465 20 10 DGCDRO CC(C)(C)c1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC001233286396 1098275621 /nfs/dbraw/zinc/27/56/21/1098275621.db2.gz SBVYLIHGNCEYLS-KRWDZBQOSA-N 1 0 302.462 3.360 20 10 DGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1 ZINC001233287293 1098275823 /nfs/dbraw/zinc/27/58/23/1098275823.db2.gz GWMPZFTUYDZXEO-BBRMVZONSA-N 1 0 301.430 3.491 20 10 DGCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CCOC3)CC2)c1O ZINC001233287205 1098276281 /nfs/dbraw/zinc/27/62/81/1098276281.db2.gz BNNPFGKLEJMBKW-UHFFFAOYSA-N 1 0 311.809 3.057 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c1O ZINC001233288016 1098277968 /nfs/dbraw/zinc/27/79/68/1098277968.db2.gz RPAGEUXYSZKYRQ-INIZCTEOSA-N 1 0 313.825 3.037 20 10 DGCDRO [O-]c1c(C[N@H+]2CCC[C@H](CCO)C2)cccc1C(F)(F)F ZINC001233418887 1098324383 /nfs/dbraw/zinc/32/43/83/1098324383.db2.gz ZXNBCXAJJYMNDP-LLVKDONJSA-N 1 0 303.324 3.005 20 10 DGCDRO CC[N@H+](C)C1CCN(Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233419622 1098325562 /nfs/dbraw/zinc/32/55/62/1098325562.db2.gz GKCSULSDDMSRJE-UHFFFAOYSA-N 1 0 316.367 3.327 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001233452409 1098337862 /nfs/dbraw/zinc/33/78/62/1098337862.db2.gz VKYDAUMCGIDDOF-CQSZACIVSA-N 1 0 321.314 3.098 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC[C@H]1O ZINC001233452471 1098338235 /nfs/dbraw/zinc/33/82/35/1098338235.db2.gz XZCMNWRZHWOKSL-ZWNOBZJWSA-N 1 0 303.324 3.004 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001233452485 1098339130 /nfs/dbraw/zinc/33/91/30/1098339130.db2.gz YKAFJKVVYBZKMV-AWEZNQCLSA-N 1 0 321.314 3.098 20 10 DGCDRO CC[N@H+](C)C1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455404 1098339408 /nfs/dbraw/zinc/33/94/08/1098339408.db2.gz JMFVKSZDXSSZQV-UHFFFAOYSA-N 1 0 316.367 3.327 20 10 DGCDRO Oc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001233454604 1098341712 /nfs/dbraw/zinc/34/17/12/1098341712.db2.gz BTMWWBCFGIBENL-IKARSPCKSA-N 1 0 313.319 3.020 20 10 DGCDRO Oc1cc(O)c(C[NH+]2CCC(c3cccs3)CC2)cc1O ZINC001233485425 1098345622 /nfs/dbraw/zinc/34/56/22/1098345622.db2.gz VJSVSLJQZBNDJQ-UHFFFAOYSA-N 1 0 305.399 3.245 20 10 DGCDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233484882 1098346065 /nfs/dbraw/zinc/34/60/65/1098346065.db2.gz AMPGFAPJEKLTGR-CQSZACIVSA-N 1 0 315.369 3.149 20 10 DGCDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(O)c(O)cc2O)cc1 ZINC001233486411 1098346656 /nfs/dbraw/zinc/34/66/56/1098346656.db2.gz MCNSPTLKAJOBLN-LLVKDONJSA-N 1 0 303.358 3.005 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)cc1O ZINC001233485772 1098347439 /nfs/dbraw/zinc/34/74/39/1098347439.db2.gz KHTSXXOICRVVRQ-NSHDSACASA-N 1 0 319.788 3.446 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1O ZINC001233487859 1098348239 /nfs/dbraw/zinc/34/82/39/1098348239.db2.gz VCPURTUOXUGLFN-HNNXBMFYSA-N 1 0 317.360 3.150 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1O ZINC001233486424 1098348299 /nfs/dbraw/zinc/34/82/99/1098348299.db2.gz MNHJNRRPKDTYKV-GFCCVEGCSA-N 1 0 319.788 3.446 20 10 DGCDRO CCCC(=O)c1cc(O)c(O)cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001233499287 1098352590 /nfs/dbraw/zinc/35/25/90/1098352590.db2.gz XYGYUYQWSNTSEL-ITGUQSILSA-N 1 0 319.401 3.085 20 10 DGCDRO CCC[N@H+](CCOC)Cc1cccc(OC(F)(F)F)c1O ZINC001233728711 1098417594 /nfs/dbraw/zinc/41/75/94/1098417594.db2.gz ZJILPGKMJNTZFR-UHFFFAOYSA-N 1 0 307.312 3.149 20 10 DGCDRO Oc1c(C[N@@H+]2CCCCC23COC3)cccc1OC(F)(F)F ZINC001233761397 1098425479 /nfs/dbraw/zinc/42/54/79/1098425479.db2.gz VAJWHAOSULIDCV-UHFFFAOYSA-N 1 0 317.307 3.046 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCC4(COC4)C3)c2c1 ZINC001234525222 1098580453 /nfs/dbraw/zinc/58/04/53/1098580453.db2.gz CVHJJOYOMVCFHG-UHFFFAOYSA-N 1 0 313.397 3.166 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C)[C@](C)(O)C3)c2c1 ZINC001234526620 1098583579 /nfs/dbraw/zinc/58/35/79/1098583579.db2.gz XFNIJICNYLUGJB-BFUOFWGJSA-N 1 0 315.413 3.147 20 10 DGCDRO CCN1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)[C@H](C)C1 ZINC001234579044 1098608573 /nfs/dbraw/zinc/60/85/73/1098608573.db2.gz URPBKRUYVUCQIX-CQSZACIVSA-N 1 0 314.429 3.080 20 10 DGCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CCCC[C@H]3F)cc2)CC1 ZINC001234660371 1098637267 /nfs/dbraw/zinc/63/72/67/1098637267.db2.gz HDZGLBODRCTOLP-QZTJIDSGSA-N 1 0 306.425 3.488 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2cccc3nccn32)n1 ZINC001177904985 1098643342 /nfs/dbraw/zinc/64/33/42/1098643342.db2.gz MICVDCFIFZYEMD-UHFFFAOYSA-N 1 0 304.444 3.063 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC001178108456 1098705266 /nfs/dbraw/zinc/70/52/66/1098705266.db2.gz ALIAXCBOODBVTE-KXBFYZLASA-N 1 0 301.478 3.105 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC001178108453 1098705417 /nfs/dbraw/zinc/70/54/17/1098705417.db2.gz ALIAXCBOODBVTE-DNVCBOLYSA-N 1 0 301.478 3.105 20 10 DGCDRO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993502 1098737704 /nfs/dbraw/zinc/73/77/04/1098737704.db2.gz DEEQAVDWXFIIFM-SFHVURJKSA-N 1 0 324.424 3.160 20 10 DGCDRO Oc1c(C[N@@H+]2CCN3CCC2CC3)cccc1-c1ccccc1 ZINC001234996923 1098741513 /nfs/dbraw/zinc/74/15/13/1098741513.db2.gz PWRNSJHEODXONV-UHFFFAOYSA-N 1 0 308.425 3.339 20 10 DGCDRO CCOCc1cc(C[NH2+]CCc2cnc(C)s2)ccc1OC ZINC001178243726 1098752366 /nfs/dbraw/zinc/75/23/66/1098752366.db2.gz BIGAJLYZONLXRM-UHFFFAOYSA-N 1 0 320.458 3.329 20 10 DGCDRO COc1ccc(C[NH2+]CCc2nnc(-c3ccccc3)o2)cc1C ZINC001178249731 1098755059 /nfs/dbraw/zinc/75/50/59/1098755059.db2.gz SNXFPBPYSXVWBC-UHFFFAOYSA-N 1 0 323.396 3.386 20 10 DGCDRO Cc1cc(CN2CCC23CC[NH2+]CC3)c(C)n1-c1ccccc1 ZINC001235103150 1098802232 /nfs/dbraw/zinc/80/22/32/1098802232.db2.gz STURODSBBKDYMX-UHFFFAOYSA-N 1 0 309.457 3.422 20 10 DGCDRO Cc1cc(CN2CCC3(CC[NH2+]3)CC2)c(C)n1-c1ccccc1 ZINC001235107228 1098808538 /nfs/dbraw/zinc/80/85/38/1098808538.db2.gz ZCUZLACVAPVPLX-UHFFFAOYSA-N 1 0 309.457 3.422 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235127925 1098825684 /nfs/dbraw/zinc/82/56/84/1098825684.db2.gz BCTDUMJOUIFEFA-OAHLLOKOSA-N 1 0 315.244 3.417 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235177288 1098858214 /nfs/dbraw/zinc/85/82/14/1098858214.db2.gz HGNIFRNHHNCSJV-INIZCTEOSA-N 1 0 312.816 3.293 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@H]3CC[NH2+]C[C@H]32)cc1Cl ZINC001235218821 1098889761 /nfs/dbraw/zinc/88/97/61/1098889761.db2.gz PEHLERGUKNAUOX-IAQYHMDHSA-N 1 0 308.853 3.137 20 10 DGCDRO Oc1cc(Cl)ccc1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235222384 1098891886 /nfs/dbraw/zinc/89/18/86/1098891886.db2.gz WJGFXEZJXLOOBU-DLBZAZTESA-N 1 0 314.816 3.117 20 10 DGCDRO CC(C)(C)c1cc(O)c(CN2C[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001235258991 1098931458 /nfs/dbraw/zinc/93/14/58/1098931458.db2.gz UKLMBFSOCHLDOZ-IUODEOHRSA-N 1 0 308.853 3.137 20 10 DGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001235394134 1098994262 /nfs/dbraw/zinc/99/42/62/1098994262.db2.gz YEWLSLOUCFRZAA-HDICACEKSA-N 1 0 312.388 3.135 20 10 DGCDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001235449484 1099040712 /nfs/dbraw/zinc/04/07/12/1099040712.db2.gz ADMMLLMOLXPXFW-UONOGXRCSA-N 1 0 314.404 3.381 20 10 DGCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681577 1099124266 /nfs/dbraw/zinc/12/42/66/1099124266.db2.gz ASELAOOWEHHXGK-HIFRSBDPSA-N 1 0 319.445 3.463 20 10 DGCDRO Cc1c[nH]c(=O)c(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC001179732941 1099188244 /nfs/dbraw/zinc/18/82/44/1099188244.db2.gz AYUCRIQDJGFZKS-UHFFFAOYSA-N 1 0 311.429 3.376 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235850306 1099210645 /nfs/dbraw/zinc/21/06/45/1099210645.db2.gz SNUBDRBJRHTMEC-KRWDZBQOSA-N 1 0 316.832 3.062 20 10 DGCDRO CN(C)c1ccc(CN2CC[C@@H]([NH3+])C(F)(F)C2)c2ccccc21 ZINC001235911538 1099254756 /nfs/dbraw/zinc/25/47/56/1099254756.db2.gz JSIYWDCCBIPHEJ-QGZVFWFLSA-N 1 0 319.399 3.074 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC001180038984 1099288026 /nfs/dbraw/zinc/28/80/26/1099288026.db2.gz HIZJRBNTKCMPCG-GFCCVEGCSA-N 1 0 311.809 3.129 20 10 DGCDRO CCN(Cc1ccc(N(C)C)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001236006488 1099326249 /nfs/dbraw/zinc/32/62/49/1099326249.db2.gz TXAHTFJXXLSMFR-KRWDZBQOSA-N 1 0 311.473 3.480 20 10 DGCDRO CCN(CC)c1ccc(CN(CC)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC001236006260 1099327408 /nfs/dbraw/zinc/32/74/08/1099327408.db2.gz QBSFTYSEPBXEFH-GOSISDBHSA-N 1 0 319.493 3.115 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236113904 1099401374 /nfs/dbraw/zinc/40/13/74/1099401374.db2.gz KNALAZZBMPSSDU-CYBMUJFWSA-N 1 0 308.834 3.254 20 10 DGCDRO Cc1cc(C)c(CN2CC[NH2+]C[C@H]2c2cccs2)c(O)c1 ZINC001236114822 1099403624 /nfs/dbraw/zinc/40/36/24/1099403624.db2.gz CACXIRGCFBRNKP-HNNXBMFYSA-N 1 0 302.443 3.217 20 10 DGCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@H]2c2ccc(F)cc2)cc1 ZINC001236127880 1099415551 /nfs/dbraw/zinc/41/55/51/1099415551.db2.gz IAEJFVYLFLKLJR-IBGZPJMESA-N 1 0 313.420 3.038 20 10 DGCDRO CCCC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2O)CC[NH2+]1 ZINC001236136085 1099422914 /nfs/dbraw/zinc/42/29/14/1099422914.db2.gz DNOKMTFFSZLTBV-QGZVFWFLSA-N 1 0 319.493 3.202 20 10 DGCDRO CCCC[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)CC[NH2+]1 ZINC001236144568 1099431165 /nfs/dbraw/zinc/43/11/65/1099431165.db2.gz YWJKVNAOXXRITK-LLVKDONJSA-N 1 0 300.805 3.149 20 10 DGCDRO COc1ccc2ccc(O)c(CN(C)[C@]3(C)CCC[NH2+]C3)c2c1 ZINC001236207011 1099462782 /nfs/dbraw/zinc/46/27/82/1099462782.db2.gz MWSZMHAJOWPPRY-LJQANCHMSA-N 1 0 314.429 3.128 20 10 DGCDRO CN(Cc1c(O)ccc(Cl)c1Cl)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219308 1099476394 /nfs/dbraw/zinc/47/63/94/1099476394.db2.gz VDKTVADTWXBAIB-RYUDHWBXSA-N 1 0 303.233 3.401 20 10 DGCDRO Oc1c(CN2CCC[C@H]([NH2+]C3CC3)C2)cccc1C(F)(F)F ZINC001236223056 1099479899 /nfs/dbraw/zinc/47/98/99/1099479899.db2.gz NSYSVQHVKHYDFP-ZDUSSCGKSA-N 1 0 314.351 3.127 20 10 DGCDRO CC(C)N(Cc1cc(F)c(Cl)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236471013 1099631405 /nfs/dbraw/zinc/63/14/05/1099631405.db2.gz UUBXOGNESDVTNW-GFCCVEGCSA-N 1 0 300.805 3.147 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)c2ccccc12)[C@H]1CC[NH2+]C1 ZINC001236528764 1099663643 /nfs/dbraw/zinc/66/36/43/1099663643.db2.gz IXIVHEUEPXAQIK-KRWDZBQOSA-N 1 0 311.473 3.478 20 10 DGCDRO Oc1cc(C[N@H+](CC2CC2)C2CC2)c(O)cc1Br ZINC001236762982 1099774747 /nfs/dbraw/zinc/77/47/47/1099774747.db2.gz SXSIUSZRYLLUSJ-UHFFFAOYSA-N 1 0 312.207 3.235 20 10 DGCDRO C[N@H+](Cc1cc(O)c(Br)cc1O)CC(C)(C)C ZINC001236774988 1099778728 /nfs/dbraw/zinc/77/87/28/1099778728.db2.gz JNRHROPEJDCKGN-UHFFFAOYSA-N 1 0 302.212 3.338 20 10 DGCDRO C[N@H+](Cc1cc(OCc2ccccc2)ccc1O)[C@H]1CCOC1 ZINC001236781332 1099780337 /nfs/dbraw/zinc/78/03/37/1099780337.db2.gz BIWMRXNQUIMWNR-KRWDZBQOSA-N 1 0 313.397 3.192 20 10 DGCDRO CCc1ccc(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c(O)c1 ZINC001236788781 1099785451 /nfs/dbraw/zinc/78/54/51/1099785451.db2.gz QJTWAFTVUAAKAR-UHFFFAOYSA-N 1 0 318.461 3.081 20 10 DGCDRO CCc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c(O)c1 ZINC001236791039 1099787831 /nfs/dbraw/zinc/78/78/31/1099787831.db2.gz ZKOYGOZQWUFXEO-UHFFFAOYSA-N 1 0 314.404 3.416 20 10 DGCDRO CCOC(=O)C1(C)CC[NH+](Cc2ccc(CC)cc2O)CC1 ZINC001236795732 1099790778 /nfs/dbraw/zinc/79/07/78/1099790778.db2.gz ZLKQWINKBSTBPK-UHFFFAOYSA-N 1 0 305.418 3.120 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001236797598 1099791624 /nfs/dbraw/zinc/79/16/24/1099791624.db2.gz HXOAOOPMRTVKQX-BZNIZROVSA-N 1 0 311.809 3.055 20 10 DGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(CC)cc2O)[C@@H]1C ZINC001236795511 1099791721 /nfs/dbraw/zinc/79/17/21/1099791721.db2.gz VTRBOGKGLNIXKV-CJNGLKHVSA-N 1 0 305.418 3.118 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)CCc2ccccc2OC)c(O)c1 ZINC001236810935 1099798496 /nfs/dbraw/zinc/79/84/96/1099798496.db2.gz 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ZINC001237052263 1099945013 /nfs/dbraw/zinc/94/50/13/1099945013.db2.gz SQSTXUIOTBPDBZ-LJQANCHMSA-N 1 0 316.445 3.102 20 10 DGCDRO Cc1noc([C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3O)C2)n1 ZINC001237054704 1099946377 /nfs/dbraw/zinc/94/63/77/1099946377.db2.gz DTOCVAFSPTYYAM-HNNXBMFYSA-N 1 0 301.390 3.197 20 10 DGCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C(C)C)cc1O)C2 ZINC001237054748 1099946978 /nfs/dbraw/zinc/94/69/78/1099946978.db2.gz GBYFRZLLDHVMOH-XKQJLSEDSA-N 1 0 317.429 3.289 20 10 DGCDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237053221 1099948472 /nfs/dbraw/zinc/94/84/72/1099948472.db2.gz IESGPXIGFUFFOC-MWLCHTKSSA-N 1 0 307.287 3.266 20 10 DGCDRO CCOC(=O)NC1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237055497 1099948836 /nfs/dbraw/zinc/94/88/36/1099948836.db2.gz PKFCZECJYMLKDC-UHFFFAOYSA-N 1 0 320.433 3.226 20 10 DGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237057325 1099949855 /nfs/dbraw/zinc/94/98/55/1099949855.db2.gz BGCWQUGCTVWYFR-CMPLNLGQSA-N 1 0 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COc1cccc([C@H](O)C[NH2+]Cc2cc3ccccc3cc2O)c1 ZINC001250735436 1105571926 /nfs/dbraw/zinc/57/19/26/1105571926.db2.gz WEEFDXRTLZQSGT-HXUWFJFHSA-N 1 0 323.392 3.377 20 10 DGCDRO O[C@]1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCc2ccccc21 ZINC001254197341 1106032183 /nfs/dbraw/zinc/03/21/83/1106032183.db2.gz XXJSJEKMZAURSQ-NRFANRHFSA-N 1 0 322.452 3.210 20 10 DGCDRO Oc1ccccc1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254610126 1106113266 /nfs/dbraw/zinc/11/32/66/1106113266.db2.gz YFWAIXIAKFIOCY-UHFFFAOYSA-N 1 0 300.377 3.290 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)o1 ZINC001254721240 1106135806 /nfs/dbraw/zinc/13/58/06/1106135806.db2.gz NSSATHVQQVKPNZ-UXIGCNINSA-N 1 0 301.386 3.474 20 10 DGCDRO CO[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C)C(F)(F)F ZINC001254729761 1106136292 /nfs/dbraw/zinc/13/62/92/1106136292.db2.gz LYSIGILZGIIIJR-JBLDHEPKSA-N 1 0 303.324 3.416 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CC2CCN(CC2)C1 ZINC001254862896 1106151002 /nfs/dbraw/zinc/15/10/02/1106151002.db2.gz UTZOLVCCVTZOAF-HXUWFJFHSA-N 1 0 313.489 3.203 20 10 DGCDRO CC(C)(C)C1CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001255493274 1106258453 /nfs/dbraw/zinc/25/84/53/1106258453.db2.gz AXQBGAWEORQAOB-KVULBXGLSA-N 1 0 307.434 3.326 20 10 DGCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001257042755 1106529081 /nfs/dbraw/zinc/52/90/81/1106529081.db2.gz QFPORPVNFKSKRI-BPUTZDHNSA-N 1 0 304.434 3.135 20 10 DGCDRO CC[C@@H](C)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001257431304 1106587515 /nfs/dbraw/zinc/58/75/15/1106587515.db2.gz CFGQHZTZHITSTR-NXOUGTEYSA-N 1 0 300.402 3.227 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC2(C)C)cc1C ZINC001320388388 1106990551 /nfs/dbraw/zinc/99/05/51/1106990551.db2.gz VFRICPZQXZMSJR-GDBMZVCRSA-N 1 0 318.461 3.034 20 10 DGCDRO COC(=O)N1CCC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001320410482 1106996597 /nfs/dbraw/zinc/99/65/97/1106996597.db2.gz BXNQLJGVPOFDNN-IHRRRGAJSA-N 1 0 318.417 3.069 20 10 DGCDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC001320493882 1107025353 /nfs/dbraw/zinc/02/53/53/1107025353.db2.gz FFYJMKOJTFKTCS-CQSZACIVSA-N 1 0 315.413 3.472 20 10 DGCDRO C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@@H]1C ZINC001320509418 1107034093 /nfs/dbraw/zinc/03/40/93/1107034093.db2.gz PYQQJFKMXYRFOY-HOTGVXAUSA-N 1 0 319.468 3.055 20 10 DGCDRO C[C@H]1CCCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320537997 1107045144 /nfs/dbraw/zinc/04/51/44/1107045144.db2.gz NQSYXSVSZUFNCG-INIZCTEOSA-N 1 0 319.468 3.200 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(C)n(C)c1=O ZINC001321348820 1107329364 /nfs/dbraw/zinc/32/93/64/1107329364.db2.gz SUNDKZCVQVMJIM-WFASDCNBSA-N 1 0 312.413 3.046 20 10 DGCDRO CCOCc1cc(C[NH2+]CCC2CCOCC2)ccc1OC ZINC001321831547 1107444380 /nfs/dbraw/zinc/44/43/80/1107444380.db2.gz GHRSJSIEDPZBSM-UHFFFAOYSA-N 1 0 307.434 3.138 20 10 DGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001261787870 1107529768 /nfs/dbraw/zinc/52/97/68/1107529768.db2.gz DMPUJWJGDMFDGD-BZNIZROVSA-N 1 0 324.371 3.226 20 10 DGCDRO COCCC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCC1 ZINC001261813702 1107534538 /nfs/dbraw/zinc/53/45/38/1107534538.db2.gz CEJQOBRZKDJSBA-UHFFFAOYSA-N 1 0 312.404 3.327 20 10 DGCDRO COCc1cc(C[NH2+]Cc2cc(C)cc(OC)c2O)ccc1F ZINC001262110282 1107621886 /nfs/dbraw/zinc/62/18/86/1107621886.db2.gz YOLXAKHKBCSZBH-UHFFFAOYSA-N 1 0 319.376 3.285 20 10 DGCDRO CC(C)C[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)C ZINC001323291317 1107920110 /nfs/dbraw/zinc/92/01/10/1107920110.db2.gz QNUGZGRBNITWTH-UHFFFAOYSA-N 1 0 321.484 3.444 20 10 DGCDRO CO[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC001324541370 1108334067 /nfs/dbraw/zinc/33/40/67/1108334067.db2.gz JYLQWXBMHXNUKM-WBVHZDCISA-N 1 0 301.361 3.496 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCC3CCOCC3)CC2)cc1 ZINC001319200422 1108363071 /nfs/dbraw/zinc/36/30/71/1108363071.db2.gz HHKLGKGXIHNTTH-UHFFFAOYSA-N 1 0 318.461 3.070 20 10 DGCDRO Cc1ccc(CN2CCC[N@H+](Cc3ccccc3O)CC2)cc1 ZINC001324779582 1108462116 /nfs/dbraw/zinc/46/21/16/1108462116.db2.gz VPZYZEZQNUMRGK-UHFFFAOYSA-N 1 0 310.441 3.409 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3OCCC[C@@H]3C1)CCCC2 ZINC001319687770 1108594322 /nfs/dbraw/zinc/59/43/22/1108594322.db2.gz RVROMPLYGRKNNI-VQIMIIECSA-N 1 0 301.430 3.272 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC001325341357 1108627290 /nfs/dbraw/zinc/62/72/90/1108627290.db2.gz VHKKEMWUOWGOBU-ISTRZQFTSA-N 1 0 323.440 3.494 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1c(C)c(C)n[nH]c1=O ZINC001325356451 1108631027 /nfs/dbraw/zinc/63/10/27/1108631027.db2.gz KVGMQPZERFDJCO-IINYFYTJSA-N 1 0 313.401 3.151 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC001319963780 1108718540 /nfs/dbraw/zinc/71/85/40/1108718540.db2.gz PHSZJQMHUWRMAZ-ROUUACIJSA-N 1 0 300.446 3.145 20 10 DGCDRO CC[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266127403 1109102614 /nfs/dbraw/zinc/10/26/14/1109102614.db2.gz GCGJJUDXZDPCKY-HIFRSBDPSA-N 1 0 306.450 3.034 20 10 DGCDRO CCC1(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001282184377 1109464733 /nfs/dbraw/zinc/46/47/33/1109464733.db2.gz JDWOUNFKIHNGMM-HUUCEWRRSA-N 1 0 318.461 3.177 20 10 DGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCCC[C@H]1C ZINC001308201347 1111396754 /nfs/dbraw/zinc/39/67/54/1111396754.db2.gz CTBCWRJLQQEYJU-HUUCEWRRSA-N 1 0 307.457 3.244 20 10 DGCDRO COc1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc1F ZINC001308244321 1111403643 /nfs/dbraw/zinc/40/36/43/1111403643.db2.gz LMIDONAGZGALEE-UHFFFAOYSA-N 1 0 315.388 3.492 20 10 DGCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308291614 1111412350 /nfs/dbraw/zinc/41/23/50/1111412350.db2.gz WGKGKEFKYKIWDC-UHFFFAOYSA-N 1 0 305.418 3.223 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC001308335708 1111418401 /nfs/dbraw/zinc/41/84/01/1111418401.db2.gz MAJXJPGSFQILKN-MRXNPFEDSA-N 1 0 320.440 3.250 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1[N+](=O)[O-] ZINC001308534521 1111439420 /nfs/dbraw/zinc/43/94/20/1111439420.db2.gz BKTAPGOZTHMZBJ-ZDUSSCGKSA-N 1 0 312.369 3.423 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC001308562128 1111444684 /nfs/dbraw/zinc/44/46/84/1111444684.db2.gz VXQFSJKEJBQQNM-HIFRSBDPSA-N 1 0 317.351 3.403 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H](Cc2ccccc2)OC)c(O)c1 ZINC001308776560 1111473995 /nfs/dbraw/zinc/47/39/95/1111473995.db2.gz PJXUHUDCOWGQJA-KRWDZBQOSA-N 1 0 315.413 3.057 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCN(C)C[C@H]2Cc2ccccc2)c1O ZINC001308851147 1111485018 /nfs/dbraw/zinc/48/50/18/1111485018.db2.gz PAGUKQGCDCOHLX-HXUWFJFHSA-N 1 0 324.468 3.313 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2c(F)cc(F)cc2F)c(O)c1 ZINC001308935739 1111496620 /nfs/dbraw/zinc/49/66/20/1111496620.db2.gz QCEAFNOBKZYFQF-UHFFFAOYSA-N 1 0 311.303 3.416 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC23CCC3)N(C)C)cc1 ZINC001308973079 1111502065 /nfs/dbraw/zinc/50/20/65/1111502065.db2.gz UMZZGSJUFWOENY-ZWKOTPCHSA-N 1 0 301.478 3.278 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000066703140 432019965 /nfs/dbraw/zinc/01/99/65/432019965.db2.gz VPQQLXHFKYNXNK-HNNXBMFYSA-N 1 0 321.465 3.044 20 10 DGCDRO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1O)c1ccccc1 ZINC000179566980 432063188 /nfs/dbraw/zinc/06/31/88/432063188.db2.gz OYVTXRWWLFONOU-SFHVURJKSA-N 1 0 324.424 3.177 20 10 DGCDRO COc1ccc(N2CCC[N@H+](Cc3cncc(C)c3)CC2)cc1 ZINC000189801160 432090732 /nfs/dbraw/zinc/09/07/32/432090732.db2.gz QGOSTPFSBXMEQM-UHFFFAOYSA-N 1 0 311.429 3.111 20 10 DGCDRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090036400 192920879 /nfs/dbraw/zinc/92/08/79/192920879.db2.gz OZOUYRPVIHVJCB-HOCLYGCPSA-N 1 0 304.409 3.422 20 10 DGCDRO CC[C@@H]([NH2+]CC1(C)COC1)c1cc(Br)ccc1O ZINC000094721789 193394236 /nfs/dbraw/zinc/39/42/36/193394236.db2.gz QGJUOTRFUVSTBE-GFCCVEGCSA-N 1 0 314.223 3.232 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000268755261 432127764 /nfs/dbraw/zinc/12/77/64/432127764.db2.gz LJWAEULXUFJHBM-KUHUBIRLSA-N 1 0 314.429 3.145 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc([S@](C)=O)cc1 ZINC000268896278 432146048 /nfs/dbraw/zinc/14/60/48/432146048.db2.gz ZDTQKOQIELWCMB-DMZKTXOQSA-N 1 0 315.438 3.210 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000268949428 432149574 /nfs/dbraw/zinc/14/95/74/432149574.db2.gz VFIMCZSFNPLOGK-UAGQMJEPSA-N 1 0 317.477 3.050 20 10 DGCDRO Cc1ncc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000105448553 194104796 /nfs/dbraw/zinc/10/47/96/194104796.db2.gz BMNQTLLJRFDKOX-UHFFFAOYSA-N 1 0 313.220 3.209 20 10 DGCDRO CO[C@](C)(C[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000291088234 533338672 /nfs/dbraw/zinc/33/86/72/533338672.db2.gz WQYVIFZOGPAUSR-CQSZACIVSA-N 1 0 314.223 3.059 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccccc1O ZINC000179884714 533521541 /nfs/dbraw/zinc/52/15/41/533521541.db2.gz LWFACQQGHGSHBN-RHSMWYFYSA-N 1 0 310.397 3.238 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000271812870 129962994 /nfs/dbraw/zinc/96/29/94/129962994.db2.gz LFUQUNMLXDNWNP-YEJXKQKISA-N 1 0 303.427 3.289 20 10 DGCDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000272659794 130051108 /nfs/dbraw/zinc/05/11/08/130051108.db2.gz RFZCSXFBFXGTMC-KBPBESRZSA-N 1 0 320.433 3.127 20 10 DGCDRO COC[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)OC ZINC000272699685 130055622 /nfs/dbraw/zinc/05/56/22/130055622.db2.gz RTMVZLNDPAEKRP-APWZRJJASA-N 1 0 320.477 3.379 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc2c(c1)CC(=O)N2C ZINC000272827775 130067736 /nfs/dbraw/zinc/06/77/36/130067736.db2.gz HCCOOFAFPZWKDX-OLZOCXBDSA-N 1 0 310.397 3.323 20 10 DGCDRO CCCOc1ccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c(O)c1 ZINC000273028948 130083443 /nfs/dbraw/zinc/08/34/43/130083443.db2.gz FWWPWYXNPXKFOC-CABCVRRESA-N 1 0 307.434 3.476 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000273179302 130094681 /nfs/dbraw/zinc/09/46/81/130094681.db2.gz XJKWFTIMSCEVPV-AWEZNQCLSA-N 1 0 305.805 3.129 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273437596 130122846 /nfs/dbraw/zinc/12/28/46/130122846.db2.gz XNPCJOZMIJQNEX-GOEBONIOSA-N 1 0 317.404 3.342 20 10 DGCDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273515497 130130538 /nfs/dbraw/zinc/13/05/38/130130538.db2.gz SNAFOIGHPOVSJS-VIFPVBQESA-N 1 0 310.195 3.037 20 10 DGCDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273530758 130134034 /nfs/dbraw/zinc/13/40/34/130134034.db2.gz WECUMMXSFVSHDG-BMIGLBTASA-N 1 0 317.351 3.235 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(Br)ccc1O ZINC000273545501 130135161 /nfs/dbraw/zinc/13/51/61/130135161.db2.gz ZHSJGCKUEKWUSO-WDEREUQCSA-N 1 0 324.222 3.091 20 10 DGCDRO CO[C@@H](C)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273565212 130136634 /nfs/dbraw/zinc/13/66/34/130136634.db2.gz JEAJMEPZSARLPV-VHSXEESVSA-N 1 0 302.212 3.230 20 10 DGCDRO COCCCN1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273563837 130136914 /nfs/dbraw/zinc/13/69/14/130136914.db2.gz IVZDIBCKGLEEAM-MRXNPFEDSA-N 1 0 320.477 3.161 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273574694 130139217 /nfs/dbraw/zinc/13/92/17/130139217.db2.gz LNSOIZWPHKRLDC-AWEZNQCLSA-N 1 0 324.424 3.444 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn3ccc(C)cc3n2)c1 ZINC000273621843 130146528 /nfs/dbraw/zinc/14/65/28/130146528.db2.gz ZISATVHTDMMFSZ-ZDUSSCGKSA-N 1 0 311.385 3.208 20 10 DGCDRO Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)cc[nH+]1 ZINC000274334607 130226982 /nfs/dbraw/zinc/22/69/82/130226982.db2.gz GRMQGIGYVOPQHS-UHFFFAOYSA-N 1 0 315.392 3.102 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccccc1O ZINC000274934486 130274906 /nfs/dbraw/zinc/27/49/06/130274906.db2.gz RPLAWHRNYFZNHK-CABCVRRESA-N 1 0 307.340 3.445 20 10 DGCDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000275300876 130302750 /nfs/dbraw/zinc/30/27/50/130302750.db2.gz QLWUCNARZNWHGD-JLCFBVMHSA-N 1 0 317.454 3.258 20 10 DGCDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000284113304 131050278 /nfs/dbraw/zinc/05/02/78/131050278.db2.gz NLTAPMWYVQCQRN-KSSFIOAISA-N 1 0 315.413 3.402 20 10 DGCDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000284391841 131076151 /nfs/dbraw/zinc/07/61/51/131076151.db2.gz PHLZJGAHYVPBBG-SFHVURJKSA-N 1 0 302.462 3.174 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)N2CCCCC2)c(O)c1 ZINC000284879839 131118127 /nfs/dbraw/zinc/11/81/27/131118127.db2.gz BJMAGUFMTAHZLH-HNNXBMFYSA-N 1 0 304.434 3.062 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c(O)c1 ZINC000285304477 131156282 /nfs/dbraw/zinc/15/62/82/131156282.db2.gz SGAZFFRMOZDUSL-GJZGRUSLSA-N 1 0 305.418 3.345 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285641538 131189016 /nfs/dbraw/zinc/18/90/16/131189016.db2.gz KZPFKXFEVUPGDS-SUYBPPKGSA-N 1 0 304.434 3.045 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000286879628 131253578 /nfs/dbraw/zinc/25/35/78/131253578.db2.gz ICYPIHYTBZALOG-OAHLLOKOSA-N 1 0 321.428 3.184 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@H]2COc3ccccc32)c(O)c1 ZINC000288627375 131333450 /nfs/dbraw/zinc/33/34/50/131333450.db2.gz SHAIIQGFRLVTPB-HNNXBMFYSA-N 1 0 313.397 3.447 20 10 DGCDRO Oc1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000289243205 131368276 /nfs/dbraw/zinc/36/82/76/131368276.db2.gz DTZSPRUOOBQYOT-GUDVDZBRSA-N 1 0 309.409 3.397 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCCc2cccc(C)n2)c1O ZINC000289348076 131377194 /nfs/dbraw/zinc/37/71/94/131377194.db2.gz IRWJIWKLHHQCDU-UHFFFAOYSA-N 1 0 320.820 3.480 20 10 DGCDRO NC(=O)C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000093808714 400255755 /nfs/dbraw/zinc/25/57/55/400255755.db2.gz FVUCQXYUUYUYKE-OAHLLOKOSA-N 1 0 324.424 3.147 20 10 DGCDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093482183 400247892 /nfs/dbraw/zinc/24/78/92/400247892.db2.gz HOWHNLDGQNAIKW-VQIMIIECSA-N 1 0 302.462 3.412 20 10 DGCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)N1CCC1)Cc1ccccc1O ZINC000271995581 287146124 /nfs/dbraw/zinc/14/61/24/287146124.db2.gz HBAURLQYCVUUJR-INIZCTEOSA-N 1 0 324.424 3.188 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1C ZINC000269114342 432153053 /nfs/dbraw/zinc/15/30/53/432153053.db2.gz DANXIMKEZQPJTG-NVXWUHKLSA-N 1 0 307.459 3.148 20 10 DGCDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269029838 432150556 /nfs/dbraw/zinc/15/05/56/432150556.db2.gz RXXPZEXEFPNKIJ-RLFYNMQTSA-N 1 0 322.518 3.440 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000269070739 432153358 /nfs/dbraw/zinc/15/33/58/432153358.db2.gz ZZHMNKSJZJXTKF-NWDGAFQWSA-N 1 0 304.356 3.371 20 10 DGCDRO C[C@@H]([NH2+]CCSCCCO)c1ccc(N2CCCCC2)cc1 ZINC000151177142 432226513 /nfs/dbraw/zinc/22/65/13/432226513.db2.gz WILNWGMDCQFJHG-MRXNPFEDSA-N 1 0 322.518 3.443 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c(O)c1C ZINC000297390224 227103851 /nfs/dbraw/zinc/10/38/51/227103851.db2.gz RSTQKNYNZOGKHM-RHSMWYFYSA-N 1 0 317.404 3.402 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000179877853 228353599 /nfs/dbraw/zinc/35/35/99/228353599.db2.gz ZKLHYMDQEOGXBY-YJBOKZPZSA-N 1 0 324.424 3.234 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccccc2N(C)C)c1O ZINC000273755839 274095185 /nfs/dbraw/zinc/09/51/85/274095185.db2.gz OEODGLFMWPKPFE-UHFFFAOYSA-N 1 0 320.820 3.410 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CCC(C)(C)O3)CC2)cc1 ZINC000184665748 274113367 /nfs/dbraw/zinc/11/33/67/274113367.db2.gz JNUDZTVBXWZMTJ-GOSISDBHSA-N 1 0 318.461 3.165 20 10 DGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H](C)O ZINC000280920535 274224885 /nfs/dbraw/zinc/22/48/85/274224885.db2.gz PPOLWYVQAKEGDH-NEPJUHHUSA-N 1 0 318.383 3.268 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)CCO)c(C(F)(F)F)c1 ZINC000280984280 276883418 /nfs/dbraw/zinc/88/34/18/276883418.db2.gz UOWWASOGTNZUNL-UHFFFAOYSA-N 1 0 304.356 3.022 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)cc1C ZINC000237169146 277899000 /nfs/dbraw/zinc/89/90/00/277899000.db2.gz RSPQEENNSZOAMZ-CYBMUJFWSA-N 1 0 313.401 3.345 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCOC[C@@H]3C)cc2)CC1 ZINC000192557226 278551778 /nfs/dbraw/zinc/55/17/78/278551778.db2.gz DQCMPDYESOKVIK-LPHOPBHVSA-N 1 0 302.462 3.438 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000113326189 431341314 /nfs/dbraw/zinc/34/13/14/431341314.db2.gz ICCJATXAFWVVCK-GOSISDBHSA-N 1 0 302.393 3.023 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc(Br)ccc1O ZINC000038088596 431855249 /nfs/dbraw/zinc/85/52/49/431855249.db2.gz PITVOJDKQATGSC-GXFFZTMASA-N 1 0 315.255 3.146 20 10 DGCDRO Cc1cccnc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000093193166 431914758 /nfs/dbraw/zinc/91/47/58/431914758.db2.gz OEFXRBODIFSOPD-QGZVFWFLSA-N 1 0 312.413 3.277 20 10 DGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1O ZINC000093704394 431917178 /nfs/dbraw/zinc/91/71/78/431917178.db2.gz DBRLVVYAKIMQRD-QGZVFWFLSA-N 1 0 312.413 3.477 20 10 DGCDRO COc1cccc(C[N@@H+]2CCCC[C@H]2c2cccn2C)c1O ZINC000093845472 431918667 /nfs/dbraw/zinc/91/86/67/431918667.db2.gz ZHYGBIJADGSJIG-INIZCTEOSA-N 1 0 300.402 3.467 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1 ZINC000093864281 431918749 /nfs/dbraw/zinc/91/87/49/431918749.db2.gz NWHXSLRPZAOTEY-MRXNPFEDSA-N 1 0 315.417 3.034 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000091856782 431906670 /nfs/dbraw/zinc/90/66/70/431906670.db2.gz KLOPYCHTQYNVQC-ZWKOTPCHSA-N 1 0 320.502 3.239 20 10 DGCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000126422006 431949551 /nfs/dbraw/zinc/94/95/51/431949551.db2.gz WYLVGWGBEKYZQY-MRXNPFEDSA-N 1 0 321.804 3.220 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cnn(C)c2C)c1O ZINC000183360886 432286677 /nfs/dbraw/zinc/28/66/77/432286677.db2.gz WPPYGIZSXYANFK-VIFPVBQESA-N 1 0 321.808 3.141 20 10 DGCDRO CC(=O)N1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000271173734 432343915 /nfs/dbraw/zinc/34/39/15/432343915.db2.gz IRRZOYMYPLZWHQ-HNNXBMFYSA-N 1 0 324.424 3.112 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O ZINC000183631391 432311462 /nfs/dbraw/zinc/31/14/62/432311462.db2.gz LKKIGOQOWIENGB-WBVHZDCISA-N 1 0 324.424 3.092 20 10 DGCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3C)cc2)CC1 ZINC000192557242 432386876 /nfs/dbraw/zinc/38/68/76/432386876.db2.gz DQCMPDYESOKVIK-VQIMIIECSA-N 1 0 302.462 3.438 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271512909 432412107 /nfs/dbraw/zinc/41/21/07/432412107.db2.gz NILWQJZOCOHSLV-KDOFPFPSSA-N 1 0 316.420 3.146 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccccc2O)c1O ZINC000184681854 432421328 /nfs/dbraw/zinc/42/13/28/432421328.db2.gz COAYXCLBISJBKI-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO CCCCCC(=O)NC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000271696214 432421739 /nfs/dbraw/zinc/42/17/39/432421739.db2.gz BFUMYYZWQHSVQZ-UHFFFAOYSA-N 1 0 318.461 3.362 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1O ZINC000184706837 432423443 /nfs/dbraw/zinc/42/34/43/432423443.db2.gz HDEPXSUYSHECBT-UHFFFAOYSA-N 1 0 323.776 3.058 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)ncn3C)cc1 ZINC000271799154 432424151 /nfs/dbraw/zinc/42/41/51/432424151.db2.gz KZBVURYVRCOIPE-UHFFFAOYSA-N 1 0 308.429 3.271 20 10 DGCDRO CCC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271881335 432425747 /nfs/dbraw/zinc/42/57/47/432425747.db2.gz VCMIBZOWTZOLPB-CGTJXYLNSA-N 1 0 319.445 3.426 20 10 DGCDRO COc1ccc(O)c(CNC2(c3noc(C)n3)CCCCC2)c1 ZINC000271836417 432426201 /nfs/dbraw/zinc/42/62/01/432426201.db2.gz FVVNZEGCXCXPHE-UHFFFAOYSA-N 1 0 317.389 3.041 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c(O)c1 ZINC000193503678 432478373 /nfs/dbraw/zinc/47/83/73/432478373.db2.gz FTOANGTWHQKDBA-OLZOCXBDSA-N 1 0 316.367 3.235 20 10 DGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185438145 432500422 /nfs/dbraw/zinc/50/04/22/432500422.db2.gz YBEPKMUIOWCNDU-PKFCDNJMSA-N 1 0 316.239 3.212 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442304 432500770 /nfs/dbraw/zinc/50/07/70/432500770.db2.gz CQFMXTSAMCDACV-UONOGXRCSA-N 1 0 320.433 3.361 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000185468351 432502858 /nfs/dbraw/zinc/50/28/58/432502858.db2.gz KZDQPTDBDSDKBH-DINDLPBHSA-N 1 0 307.340 3.443 20 10 DGCDRO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000185474744 432504002 /nfs/dbraw/zinc/50/40/02/432504002.db2.gz HZMNNZPUTYDUSD-GIGQVBGESA-N 1 0 303.855 3.243 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2c(C)noc2C)c1 ZINC000185501445 432506954 /nfs/dbraw/zinc/50/69/54/432506954.db2.gz ZITCUFHQNZPQAT-WDEREUQCSA-N 1 0 304.390 3.287 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1 ZINC000185528966 432508410 /nfs/dbraw/zinc/50/84/10/432508410.db2.gz PYILAMGWWRESSV-ZBEGNZNMSA-N 1 0 307.415 3.021 20 10 DGCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000193911351 432509401 /nfs/dbraw/zinc/50/94/01/432509401.db2.gz QIFBESRKNVIFFJ-HNNXBMFYSA-N 1 0 312.413 3.090 20 10 DGCDRO COCCCN(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185553936 432510336 /nfs/dbraw/zinc/51/03/36/432510336.db2.gz FJLYKQFYXHYYCU-OAHLLOKOSA-N 1 0 316.445 3.164 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1 ZINC000185580032 432511047 /nfs/dbraw/zinc/51/10/47/432511047.db2.gz QAIGFFZDLVCADZ-OAHLLOKOSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c(O)c1 ZINC000185079381 432463045 /nfs/dbraw/zinc/46/30/45/432463045.db2.gz FLFIJIMGXOXSLS-OAHLLOKOSA-N 1 0 312.413 3.010 20 10 DGCDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cn1 ZINC000185084409 432464737 /nfs/dbraw/zinc/46/47/37/432464737.db2.gz IEMGAEFDVVNSLT-CQSZACIVSA-N 1 0 322.412 3.441 20 10 DGCDRO C[C@@H]([NH3+])CCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000193306306 432465235 /nfs/dbraw/zinc/46/52/35/432465235.db2.gz JAMKRERVXWQGHB-OAHLLOKOSA-N 1 0 317.477 3.199 20 10 DGCDRO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(F)ccc1O ZINC000185091338 432465894 /nfs/dbraw/zinc/46/58/94/432465894.db2.gz UWXOHZJSVMPCAQ-GFCCVEGCSA-N 1 0 308.397 3.021 20 10 DGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185129465 432470022 /nfs/dbraw/zinc/47/00/22/432470022.db2.gz YXORFANWWOHOKT-HZPDHXFCSA-N 1 0 315.413 3.100 20 10 DGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186068440 432555873 /nfs/dbraw/zinc/55/58/73/432555873.db2.gz APYLNTNGXVAXLZ-CQSZACIVSA-N 1 0 316.401 3.073 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ncccc2Cl)c(O)c1 ZINC000186107191 432559109 /nfs/dbraw/zinc/55/91/09/432559109.db2.gz RKEYMSVOAXRHQY-GFCCVEGCSA-N 1 0 306.793 3.479 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc(F)ccc1O ZINC000186137015 432561715 /nfs/dbraw/zinc/56/17/15/432561715.db2.gz ROJDQMRYXHRTCR-DETPVDSQSA-N 1 0 311.422 3.237 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1Oc1ccccc1 ZINC000186161941 432563439 /nfs/dbraw/zinc/56/34/39/432563439.db2.gz URCUZOJPNNQFTQ-QRQLOZEOSA-N 1 0 313.397 3.107 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C1CC1 ZINC000186153281 432563745 /nfs/dbraw/zinc/56/37/45/432563745.db2.gz FGDLGOBYRIOJIX-ZANVPECISA-N 1 0 314.223 3.230 20 10 DGCDRO Cc1cccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1O ZINC000185611323 432515587 /nfs/dbraw/zinc/51/55/87/432515587.db2.gz VFCYXUYDMBNNNV-AWEZNQCLSA-N 1 0 317.458 3.036 20 10 DGCDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185673686 432522575 /nfs/dbraw/zinc/52/25/75/432522575.db2.gz CFHCFJITWLJPTD-KEYYUXOJSA-N 1 0 319.445 3.116 20 10 DGCDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185673652 432523052 /nfs/dbraw/zinc/52/30/52/432523052.db2.gz CFHCFJITWLJPTD-JKIFEVAISA-N 1 0 319.445 3.116 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1O ZINC000272805509 432534140 /nfs/dbraw/zinc/53/41/40/432534140.db2.gz BZUTUJHKETZXOI-HIFRSBDPSA-N 1 0 303.377 3.033 20 10 DGCDRO CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273607447 432616867 /nfs/dbraw/zinc/61/68/67/432616867.db2.gz URIMHRBFSPLHKX-ZDUSSCGKSA-N 1 0 321.421 3.216 20 10 DGCDRO C[C@H]([NH2+]CCn1ccnc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000155646956 432565885 /nfs/dbraw/zinc/56/58/85/432565885.db2.gz RIMIJVPHAMWWCC-HNNXBMFYSA-N 1 0 316.424 3.363 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000186189608 432566670 /nfs/dbraw/zinc/56/66/70/432566670.db2.gz VCUVUZQKDDLAOO-ACJLOTCBSA-N 1 0 303.377 3.398 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1C ZINC000273467236 432602495 /nfs/dbraw/zinc/60/24/95/432602495.db2.gz FAZRCQDNZUEZJI-XHSDSOJGSA-N 1 0 318.461 3.307 20 10 DGCDRO OCCCSCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264394620 432641959 /nfs/dbraw/zinc/64/19/59/432641959.db2.gz MZCOZPNAKHUSDV-UHFFFAOYSA-N 1 0 317.454 3.264 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CCCO)c1O ZINC000187294810 432656433 /nfs/dbraw/zinc/65/64/33/432656433.db2.gz YGYWWXQXXZPBTI-GHMZBOCLSA-N 1 0 316.239 3.275 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000227684612 432713767 /nfs/dbraw/zinc/71/37/67/432713767.db2.gz UWIZBLKDBCXMJW-CHWSQXEVSA-N 1 0 308.422 3.264 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CN2CCCCC2)c1O ZINC000228670928 432719566 /nfs/dbraw/zinc/71/95/66/432719566.db2.gz BHMDABGREFSMOO-GFCCVEGCSA-N 1 0 312.841 3.018 20 10 DGCDRO C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1cc(F)ccc1O ZINC000187904683 432691933 /nfs/dbraw/zinc/69/19/33/432691933.db2.gz KZCGWMMDDDTUOU-UGSOOPFHSA-N 1 0 303.377 3.480 20 10 DGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O ZINC000276013978 432766731 /nfs/dbraw/zinc/76/67/31/432766731.db2.gz QFNUTGVLLAYGKT-SFHVURJKSA-N 1 0 302.462 3.270 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000178742243 432773373 /nfs/dbraw/zinc/77/33/73/432773373.db2.gz GYKOYVUXMHKFRJ-OAHLLOKOSA-N 1 0 321.428 3.184 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)c1O ZINC000237233762 432781452 /nfs/dbraw/zinc/78/14/52/432781452.db2.gz WFDXWCMRSIBAEO-CYBMUJFWSA-N 1 0 301.386 3.217 20 10 DGCDRO C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000276854496 432826658 /nfs/dbraw/zinc/82/66/58/432826658.db2.gz BKAFASQAGRGBFN-NSHDSACASA-N 1 0 310.388 3.338 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1O ZINC000276979721 432827932 /nfs/dbraw/zinc/82/79/32/432827932.db2.gz VQEPXGAVOQTMHA-PBHICJAKSA-N 1 0 316.445 3.367 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)CCC1 ZINC000277088127 432829080 /nfs/dbraw/zinc/82/90/80/432829080.db2.gz GEKGKGDKYJJDJX-OAHLLOKOSA-N 1 0 317.477 3.100 20 10 DGCDRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000278356512 432892020 /nfs/dbraw/zinc/89/20/20/432892020.db2.gz CPJSTLQUMCNCHV-VZDIAYEVSA-N 1 0 315.413 3.126 20 10 DGCDRO Oc1ccccc1C[N@H+](C[C@H]1CCSC1)C[C@@H]1CCCO1 ZINC000278392291 432893283 /nfs/dbraw/zinc/89/32/83/432893283.db2.gz AIXXADAQSIIVRB-ZBFHGGJFSA-N 1 0 307.459 3.126 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296353160 432899906 /nfs/dbraw/zinc/89/99/06/432899906.db2.gz IKVLGHKHPZECKN-HUUCEWRRSA-N 1 0 318.461 3.375 20 10 DGCDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000296552932 432920943 /nfs/dbraw/zinc/92/09/43/432920943.db2.gz RQJVQXOIYLXGBO-ZJUUUORDSA-N 1 0 316.239 3.355 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)[C@@H]1CCCO1 ZINC000278955707 432921051 /nfs/dbraw/zinc/92/10/51/432921051.db2.gz ZTNVHKBYKCJZMY-BVGQSLNGSA-N 1 0 315.413 3.390 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000297181471 432970850 /nfs/dbraw/zinc/97/08/50/432970850.db2.gz DYGCEBBZRRZVEU-AUUYWEPGSA-N 1 0 316.420 3.146 20 10 DGCDRO CCCN(Cc1cnc([C@H](C)O)s1)c1ccc(C[NH3+])cc1 ZINC000289799733 432974973 /nfs/dbraw/zinc/97/49/73/432974973.db2.gz SGWIMTZCHFHONK-LBPRGKRZSA-N 1 0 305.447 3.072 20 10 DGCDRO COc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000289915108 432979359 /nfs/dbraw/zinc/97/93/59/432979359.db2.gz VHVRPNVRUQAKPW-DOMZBBRYSA-N 1 0 324.852 3.113 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(C)cc1O ZINC000279968036 432999551 /nfs/dbraw/zinc/99/95/51/432999551.db2.gz CSDFFCAZALBKIV-INIZCTEOSA-N 1 0 313.401 3.432 20 10 DGCDRO CC[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(C)cc1O ZINC000280024245 433000470 /nfs/dbraw/zinc/00/04/70/433000470.db2.gz HOZMGSNMHNNXIJ-MRXNPFEDSA-N 1 0 318.461 3.390 20 10 DGCDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(C)cc1O ZINC000280113112 433001763 /nfs/dbraw/zinc/00/17/63/433001763.db2.gz NSKRAFFMCPHDML-GOEBONIOSA-N 1 0 305.418 3.427 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000290452491 433053847 /nfs/dbraw/zinc/05/38/47/433053847.db2.gz MLXQQZYLPVEZGJ-MRXNPFEDSA-N 1 0 315.417 3.468 20 10 DGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)c(O)c1 ZINC000290447259 433054347 /nfs/dbraw/zinc/05/43/47/433054347.db2.gz MDDBRNXRERBSAQ-GOSISDBHSA-N 1 0 307.434 3.308 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000374527100 433213845 /nfs/dbraw/zinc/21/38/45/433213845.db2.gz NUMPGFNRBXNERQ-WDSOQIARSA-N 1 0 318.461 3.131 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000290997445 433215677 /nfs/dbraw/zinc/21/56/77/433215677.db2.gz APVCVKMNYHFJHF-RDJZCZTQSA-N 1 0 305.418 3.180 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1O ZINC000375333998 433431485 /nfs/dbraw/zinc/43/14/85/433431485.db2.gz AYWFQAOLQHAIGB-HOTGVXAUSA-N 1 0 323.820 3.392 20 10 DGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000375265798 433401273 /nfs/dbraw/zinc/40/12/73/433401273.db2.gz CLCDTULGRRZHCK-UHFFFAOYSA-N 1 0 305.809 3.457 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C2CCN(c3nccs3)CC2)cc1C ZINC000282147155 433511848 /nfs/dbraw/zinc/51/18/48/433511848.db2.gz HLSKQSGDDJVIEG-UHFFFAOYSA-N 1 0 317.458 3.224 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@H](C)C1 ZINC000282371593 433584591 /nfs/dbraw/zinc/58/45/91/433584591.db2.gz QHTDCJBPYCYUML-MFKMUULPSA-N 1 0 314.223 3.154 20 10 DGCDRO Cc1nc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)no1 ZINC000375838257 433584891 /nfs/dbraw/zinc/58/48/91/433584891.db2.gz FPAXKTPKWKMEGQ-LBPRGKRZSA-N 1 0 321.808 3.425 20 10 DGCDRO Cc1cccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1O ZINC000362234212 433594545 /nfs/dbraw/zinc/59/45/45/433594545.db2.gz HJZSOOLBTZEZJM-UHFFFAOYSA-N 1 0 307.397 3.391 20 10 DGCDRO Cc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1O ZINC000292864109 433600436 /nfs/dbraw/zinc/60/04/36/433600436.db2.gz VRBIKLFUXLPIEA-OAHLLOKOSA-N 1 0 300.377 3.208 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cc(Cl)ccc1O ZINC000376299103 433709368 /nfs/dbraw/zinc/70/93/68/433709368.db2.gz AIQOYTBOBIYCPY-RBOXIYTFSA-N 1 0 311.809 3.034 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccccc1O ZINC000293564767 433781729 /nfs/dbraw/zinc/78/17/29/433781729.db2.gz AUOAEWJODDTZFK-OAHLLOKOSA-N 1 0 312.413 3.080 20 10 DGCDRO CCOC(C)(C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000377308824 433854545 /nfs/dbraw/zinc/85/45/45/433854545.db2.gz NKUSDTTUHCZVRB-UHFFFAOYSA-N 1 0 306.450 3.069 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)c(O)c1 ZINC000293934583 433934152 /nfs/dbraw/zinc/93/41/52/433934152.db2.gz YECLSKKZRLCRKA-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000377836166 434013969 /nfs/dbraw/zinc/01/39/69/434013969.db2.gz ZGRTZDRQUNOPCC-LSDHHAIUSA-N 1 0 305.418 3.039 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1 ZINC000377890932 434027937 /nfs/dbraw/zinc/02/79/37/434027937.db2.gz ZFVBOWAFVDHUGH-KRWDZBQOSA-N 1 0 312.461 3.256 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c1O ZINC000295014678 434158722 /nfs/dbraw/zinc/15/87/22/434158722.db2.gz MKTNEGNFBQEAIW-CQSZACIVSA-N 1 0 313.825 3.301 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1 ZINC000363853944 434169259 /nfs/dbraw/zinc/16/92/59/434169259.db2.gz LFFDFASGSTXYKI-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c(O)c1C ZINC000363870553 434172309 /nfs/dbraw/zinc/17/23/09/434172309.db2.gz XSUZVUGLSXWQGQ-BBRMVZONSA-N 1 0 311.429 3.316 20 10 DGCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C2 ZINC000363869340 434173502 /nfs/dbraw/zinc/17/35/02/434173502.db2.gz UCAAULTVSJYMAG-QMTHXVAHSA-N 1 0 317.820 3.352 20 10 DGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCc2c1cccc2Cl ZINC000423200392 434281638 /nfs/dbraw/zinc/28/16/38/434281638.db2.gz MDHKFIIUYSBQBC-UHFFFAOYSA-N 1 0 314.816 3.305 20 10 DGCDRO CCC[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccccc1O ZINC000295438431 434363125 /nfs/dbraw/zinc/36/31/25/434363125.db2.gz UJFZDQKBRASQFH-UHFFFAOYSA-N 1 0 309.360 3.266 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000295804959 434437668 /nfs/dbraw/zinc/43/76/68/434437668.db2.gz CKNCQTPLLAZKIB-SFHVURJKSA-N 1 0 324.424 3.006 20 10 DGCDRO COc1cccc(C[NH+]2CCC(Cc3cccnc3)CC2)c1O ZINC000359960979 434452766 /nfs/dbraw/zinc/45/27/66/434452766.db2.gz QPANREDHBLGTJM-UHFFFAOYSA-N 1 0 312.413 3.251 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000367088491 434538880 /nfs/dbraw/zinc/53/88/80/434538880.db2.gz WRRATYLXTQGUDR-GOSISDBHSA-N 1 0 300.446 3.336 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1F ZINC000370724550 434618284 /nfs/dbraw/zinc/61/82/84/434618284.db2.gz YTJPTQHGINPIMO-MRXNPFEDSA-N 1 0 306.425 3.140 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc2c(cc1O)CCCC2 ZINC000370397826 434611684 /nfs/dbraw/zinc/61/16/84/434611684.db2.gz OHHSYNIFKDYKCA-MLGOLLRUSA-N 1 0 311.429 3.202 20 10 DGCDRO CCOc1ccccc1N(C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662805851 436387986 /nfs/dbraw/zinc/38/79/86/436387986.db2.gz NONGNADIGVKRMF-UHFFFAOYSA-N 1 0 310.397 3.008 20 10 DGCDRO Cc1ccc([C@@H](C[NH2+]Cc2ccccc2O)N2CCCC2)o1 ZINC000237887248 301717032 /nfs/dbraw/zinc/71/70/32/301717032.db2.gz IZOSBNUDBUDJDB-MRXNPFEDSA-N 1 0 300.402 3.220 20 10 DGCDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)s1 ZINC000080228376 331683911 /nfs/dbraw/zinc/68/39/11/331683911.db2.gz KXXAJUZSUXHFJF-SNVBAGLBSA-N 1 0 305.399 3.212 20 10 DGCDRO C[C@@H]([NH2+]CCC(C)(C)CO)c1cc(Br)ccc1O ZINC000296462462 335142558 /nfs/dbraw/zinc/14/25/58/335142558.db2.gz NJBKGPQZQSENIC-SNVBAGLBSA-N 1 0 316.239 3.214 20 10 DGCDRO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000296421347 335144604 /nfs/dbraw/zinc/14/46/04/335144604.db2.gz LJUOFTDGRIEKLB-NXEZZACHSA-N 1 0 316.239 3.355 20 10 DGCDRO CCC(CC)(CCO)[NH2+]Cc1c(O)cccc1Br ZINC001334906728 1178825549 /nfs/dbraw/zinc/82/55/49/1178825549.db2.gz BPTXWRYWHHEJGY-UHFFFAOYSA-N 1 0 316.239 3.186 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)c2ccsc2)c(O)c1 ZINC000265877528 520368762 /nfs/dbraw/zinc/36/87/62/520368762.db2.gz NNPCFTXYPBDWAF-KRWDZBQOSA-N 1 0 321.442 3.240 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccccc2N(C)C)c1 ZINC000267889701 521153079 /nfs/dbraw/zinc/15/30/79/521153079.db2.gz SKPKUSCVRJHBFC-UHFFFAOYSA-N 1 0 300.402 3.147 20 10 DGCDRO CC[C@H]([NH2+]CCC[C@H](C)O)c1cc(Br)ccc1O ZINC000228036724 522586366 /nfs/dbraw/zinc/58/63/66/522586366.db2.gz FHDJGJNZXBPNMF-GWCFXTLKSA-N 1 0 316.239 3.356 20 10 DGCDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccccc1O ZINC000156961417 522624958 /nfs/dbraw/zinc/62/49/58/522624958.db2.gz BQBFSUMMKRRSSK-FUHWJXTLSA-N 1 0 303.377 3.480 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(C)s2)cc1OC ZINC000160124390 522772001 /nfs/dbraw/zinc/77/20/01/522772001.db2.gz YZOFZIFSWQBAQQ-UHFFFAOYSA-N 1 0 307.415 3.411 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H](SC)C2)cc1OC ZINC000180763390 522773409 /nfs/dbraw/zinc/77/34/09/522773409.db2.gz LGGRHUZMDXFCBO-CYBMUJFWSA-N 1 0 311.447 3.127 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccccc2C)cc1OC ZINC000159482703 522775121 /nfs/dbraw/zinc/77/51/21/522775121.db2.gz CDLJUHUSMBKUMJ-UHFFFAOYSA-N 1 0 301.386 3.350 20 10 DGCDRO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1ccccc1O ZINC000183384682 522827617 /nfs/dbraw/zinc/82/76/17/522827617.db2.gz XCWGQLSUGQEQAG-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000268783643 522878146 /nfs/dbraw/zinc/87/81/46/522878146.db2.gz UZZFSJWDYUHXLN-GOSISDBHSA-N 1 0 312.461 3.455 20 10 DGCDRO CO[C@@H](C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000191204577 523417985 /nfs/dbraw/zinc/41/79/85/523417985.db2.gz NYRYPEDAEHJSAE-AWEZNQCLSA-N 1 0 301.386 3.096 20 10 DGCDRO CC[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000190219189 523616877 /nfs/dbraw/zinc/61/68/77/523616877.db2.gz MMFCVIJXAZAPEY-INIZCTEOSA-N 1 0 313.825 3.039 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)cc1C ZINC000267168874 524074475 /nfs/dbraw/zinc/07/44/75/524074475.db2.gz HLMTUDGOTNCWJF-SCLBCKFNSA-N 1 0 303.377 3.354 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3ncccc3C)CC2)cc1 ZINC000154639188 524403202 /nfs/dbraw/zinc/40/32/02/524403202.db2.gz BDNZTBNSUFAWOM-UHFFFAOYSA-N 1 0 311.429 3.157 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000179854560 524749285 /nfs/dbraw/zinc/74/92/85/524749285.db2.gz JJBCUCGEYURNRL-IFXJQAMLSA-N 1 0 313.397 3.363 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000182432559 524766016 /nfs/dbraw/zinc/76/60/16/524766016.db2.gz QPBYCWMCBBYJAA-OLZOCXBDSA-N 1 0 314.385 3.079 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)c1 ZINC000188680895 524773177 /nfs/dbraw/zinc/77/31/77/524773177.db2.gz WZXCZZLFQOGMTB-UGSOOPFHSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1ccc(OC)c(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000264999346 524836834 /nfs/dbraw/zinc/83/68/34/524836834.db2.gz ZDFQAOWEGWFPPC-UHFFFAOYSA-N 1 0 307.777 3.353 20 10 DGCDRO Cc1ccc2c(CC[NH2+]Cc3cc4c(cc3O)OCO4)c[nH]c2c1 ZINC000237817959 526126028 /nfs/dbraw/zinc/12/60/28/526126028.db2.gz INJJDQAGNXKSCZ-UHFFFAOYSA-N 1 0 324.380 3.243 20 10 DGCDRO O=C(CCCC[NH2+]Cc1ccccc1O)OCc1ccccc1 ZINC000181028773 526425904 /nfs/dbraw/zinc/42/59/04/526425904.db2.gz LCRJNOYYRXKDDY-UHFFFAOYSA-N 1 0 313.397 3.396 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1ccc(F)cc1 ZINC000264967351 527578592 /nfs/dbraw/zinc/57/85/92/527578592.db2.gz QAZNFLRRIXQCCU-CYBMUJFWSA-N 1 0 323.795 3.126 20 10 DGCDRO CC1=CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000293830435 528122177 /nfs/dbraw/zinc/12/21/77/528122177.db2.gz DUNYTKKEDPZFPV-MRXNPFEDSA-N 1 0 304.409 3.251 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](CCO)C(C)(C)C)ccc1OC ZINC000290960174 529034955 /nfs/dbraw/zinc/03/49/55/529034955.db2.gz WCQCELMZIKHDPZ-KRWDZBQOSA-N 1 0 309.450 3.118 20 10 DGCDRO CCOc1cccc(C[NH2+]C(C)(C)c2c(C)noc2C)c1O ZINC000285508606 535457123 /nfs/dbraw/zinc/45/71/23/535457123.db2.gz NXEZIIAZVRNBEL-UHFFFAOYSA-N 1 0 304.390 3.421 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)c2c(C)noc2C)c1 ZINC000285354573 535751608 /nfs/dbraw/zinc/75/16/08/535751608.db2.gz AWUOPWVCVAGNJF-UHFFFAOYSA-N 1 0 304.390 3.421 20 10 DGCDRO CC[C@@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1ccccc1O ZINC000274960048 535803812 /nfs/dbraw/zinc/80/38/12/535803812.db2.gz WLAMRPNXRLHYGM-QGZVFWFLSA-N 1 0 312.413 3.171 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccccc1O ZINC000285859568 535808155 /nfs/dbraw/zinc/80/81/55/535808155.db2.gz ZQMHENDQORFBRN-CKEIUWERSA-N 1 0 304.434 3.126 20 10 DGCDRO COc1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)cc1F ZINC000297519365 536843156 /nfs/dbraw/zinc/84/31/56/536843156.db2.gz CZAMFRDRZDOSRW-HNNXBMFYSA-N 1 0 301.361 3.360 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc2ccccc2c1O ZINC000186115251 546192828 /nfs/dbraw/zinc/19/28/28/546192828.db2.gz YDKUPSAGMHRQQP-IUODEOHRSA-N 1 0 307.397 3.477 20 10 DGCDRO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000731843843 574560357 /nfs/dbraw/zinc/56/03/57/574560357.db2.gz YVBWQPVYNJWWJL-HOCLYGCPSA-N 1 0 304.434 3.004 20 10 DGCDRO Cn1cccc1C(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731846086 574560418 /nfs/dbraw/zinc/56/04/18/574560418.db2.gz QUFNOOXTURVLBD-UHFFFAOYSA-N 1 0 312.413 3.358 20 10 DGCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2ccc(N(C)C)c(F)c2)C1 ZINC000733324569 574615894 /nfs/dbraw/zinc/61/58/94/574615894.db2.gz KVRFSIPJAOFXPR-IYBDPMFKSA-N 1 0 321.484 3.349 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CSc3ccccc31)OCO2 ZINC000735508887 574704772 /nfs/dbraw/zinc/70/47/72/574704772.db2.gz PTDPFBKLHFEBCZ-LBPRGKRZSA-N 1 0 301.367 3.058 20 10 DGCDRO Oc1ccccc1C[N@H+](CCOC[C@H]1CCCO1)C1CCCC1 ZINC000741248689 574954054 /nfs/dbraw/zinc/95/40/54/574954054.db2.gz BDSRIBQNZFBXAM-GOSISDBHSA-N 1 0 319.445 3.332 20 10 DGCDRO CC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000742368112 574992912 /nfs/dbraw/zinc/99/29/12/574992912.db2.gz UEXZBHQGHURSLS-UHFFFAOYSA-N 1 0 320.452 3.455 20 10 DGCDRO COCCOC[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000742377932 574993965 /nfs/dbraw/zinc/99/39/65/574993965.db2.gz ZSBGYGNMQAZGKD-HNNXBMFYSA-N 1 0 315.413 3.200 20 10 DGCDRO C[C@@H]1Cc2ccccc2N1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000742709377 575014181 /nfs/dbraw/zinc/01/41/81/575014181.db2.gz KKYZBMSTDSEUBD-OAHLLOKOSA-N 1 0 308.425 3.162 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000729681963 575260511 /nfs/dbraw/zinc/26/05/11/575260511.db2.gz PJSAIXDMOVJPPK-GOSISDBHSA-N 1 0 308.425 3.386 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CC[C@H](C)C2)cc1F ZINC000744450399 575343692 /nfs/dbraw/zinc/34/36/92/575343692.db2.gz SUIXVASEMRUFRB-HNNXBMFYSA-N 1 0 307.457 3.103 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](COC)Cc2ccccc2)c1O ZINC000747100910 575496276 /nfs/dbraw/zinc/49/62/76/575496276.db2.gz XZVHDKYOOQTTCG-QGZVFWFLSA-N 1 0 315.413 3.138 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CC[NH+](C)C ZINC000747173223 575503266 /nfs/dbraw/zinc/50/32/66/575503266.db2.gz NMBHKDDKDPNCPS-UHFFFAOYSA-N 1 0 313.445 3.036 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000747827255 575544099 /nfs/dbraw/zinc/54/40/99/575544099.db2.gz NRBLAOYMANGHHD-CVEARBPZSA-N 1 0 312.413 3.189 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C/C=C(\C)C(=O)OC)cc1 ZINC000748809996 575608912 /nfs/dbraw/zinc/60/89/12/575608912.db2.gz OXWKKKGHBKXNSW-NTCAYCPXSA-N 1 0 304.434 3.084 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000749129647 575629067 /nfs/dbraw/zinc/62/90/67/575629067.db2.gz RZAMYQNJXUJBMZ-MLGOLLRUSA-N 1 0 308.853 3.398 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 ZINC000749125816 575629178 /nfs/dbraw/zinc/62/91/78/575629178.db2.gz HQBQVGBRTMAJFM-MGPQQGTHSA-N 1 0 306.425 3.327 20 10 DGCDRO CO[C@H](C)C[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000750048980 575699733 /nfs/dbraw/zinc/69/97/33/575699733.db2.gz QIBBKYXSNNDUTF-LLVKDONJSA-N 1 0 313.825 3.494 20 10 DGCDRO CCCCC[N@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000750047397 575700114 /nfs/dbraw/zinc/70/01/14/575700114.db2.gz PSGWXBIOYHYGBK-UHFFFAOYSA-N 1 0 313.825 3.233 20 10 DGCDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000751605003 575792923 /nfs/dbraw/zinc/79/29/23/575792923.db2.gz NTJJEGMGRFCIRP-CJNGLKHVSA-N 1 0 311.381 3.499 20 10 DGCDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725847035 575929031 /nfs/dbraw/zinc/92/90/31/575929031.db2.gz BGLXTMRFFXWTJA-HNNXBMFYSA-N 1 0 307.397 3.434 20 10 DGCDRO COC[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000739868798 576038288 /nfs/dbraw/zinc/03/82/88/576038288.db2.gz FMHUFPFTOSLMKM-ZDUSSCGKSA-N 1 0 301.386 3.022 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCC[C@H](C)C2)cc1 ZINC000727644167 576135363 /nfs/dbraw/zinc/13/53/63/576135363.db2.gz ZAFTXXCDFUSRHD-KRWDZBQOSA-N 1 0 303.494 3.354 20 10 DGCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)c3cccc(F)c3)ccc21 ZINC000727645085 576135809 /nfs/dbraw/zinc/13/58/09/576135809.db2.gz YHBXBMKMVMVARY-IBGZPJMESA-N 1 0 314.404 3.031 20 10 DGCDRO Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1cccc2c1CC[NH2+]C2 ZINC000852841888 620651915 /nfs/dbraw/zinc/65/19/15/620651915.db2.gz LWWMZQRGKGIYQJ-AWEZNQCLSA-N 1 0 322.408 3.068 20 10 DGCDRO C[NH2+]C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000852920535 620655630 /nfs/dbraw/zinc/65/56/30/620655630.db2.gz CQRIJLUFEYGKFL-NSHDSACASA-N 1 0 319.836 3.085 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cnccc2C(F)(F)F)c1O ZINC000853094911 620667977 /nfs/dbraw/zinc/66/79/77/620667977.db2.gz CDCALRJKLWIJOY-UHFFFAOYSA-N 1 0 312.291 3.104 20 10 DGCDRO CC[C@@H]([NH2+]CCOCCF)c1ccc(C(F)(F)F)cc1O ZINC000853238602 620681028 /nfs/dbraw/zinc/68/10/28/620681028.db2.gz MQHLMYKFVFZJPD-GFCCVEGCSA-N 1 0 309.303 3.438 20 10 DGCDRO CCCNC(=O)C1([NH2+]Cc2cc(C)c(C)cc2O)CCCCC1 ZINC000154533410 620684567 /nfs/dbraw/zinc/68/45/67/620684567.db2.gz SKPRUQJQJMRDAH-UHFFFAOYSA-N 1 0 318.461 3.328 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C3CCC3)C2)cc1OC ZINC000853588567 620713145 /nfs/dbraw/zinc/71/31/45/620713145.db2.gz GWAJRHNNMXQQBT-CQSZACIVSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853566316 620710295 /nfs/dbraw/zinc/71/02/95/620710295.db2.gz NXMCCOMSQLQGPH-AUUYWEPGSA-N 1 0 319.445 3.167 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853585946 620712654 /nfs/dbraw/zinc/71/26/54/620712654.db2.gz LRHYDHAUIPULFS-GDBMZVCRSA-N 1 0 303.446 3.466 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C3CCC3)C2)cc1OC ZINC000853588564 620712680 /nfs/dbraw/zinc/71/26/80/620712680.db2.gz GWAJRHNNMXQQBT-AWEZNQCLSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC(c3ccon3)CC2)c1O ZINC000853593901 620713518 /nfs/dbraw/zinc/71/35/18/620713518.db2.gz QVRKTVLXZDDNTR-UHFFFAOYSA-N 1 0 302.374 3.077 20 10 DGCDRO Oc1cc2c(cc1C[N@H+]1C[C@]34COC[C@@]3(C1)CCCC4)CCC2 ZINC000853623727 620716985 /nfs/dbraw/zinc/71/69/85/620716985.db2.gz IXUWEEJBRYLZPE-BGYRXZFFSA-N 1 0 313.441 3.274 20 10 DGCDRO CC[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccccc1O ZINC000154891289 620736113 /nfs/dbraw/zinc/73/61/13/620736113.db2.gz WHOASYBNOZMFKL-INIZCTEOSA-N 1 0 304.434 3.226 20 10 DGCDRO CC(C)=C(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245782 617759750 /nfs/dbraw/zinc/75/97/50/617759750.db2.gz JAWPFKTYDNJAFC-SFHVURJKSA-N 1 0 317.477 3.218 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000891466830 617809603 /nfs/dbraw/zinc/80/96/03/617809603.db2.gz YJUMOXVLXDQNDV-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCOCC(F)(F)F)C2CC2)cc1 ZINC000919770502 620765348 /nfs/dbraw/zinc/76/53/48/620765348.db2.gz GVFIGBFFVZPUKK-UHFFFAOYSA-N 1 0 316.367 3.296 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1 ZINC000840882329 618111708 /nfs/dbraw/zinc/11/17/08/618111708.db2.gz SSHPEKUAPQDAGO-ZFWWWQNUSA-N 1 0 303.377 3.266 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2C)c(O)c1OC ZINC000892617481 618119576 /nfs/dbraw/zinc/11/95/76/618119576.db2.gz YJETWBSYFXLINI-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000892633168 618122794 /nfs/dbraw/zinc/12/27/94/618122794.db2.gz AGCNIQCARNHNNI-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)c(O)c1 ZINC000854222964 620785635 /nfs/dbraw/zinc/78/56/35/620785635.db2.gz PQQNJNXDSQAFCT-ATZDWAIDSA-N 1 0 310.441 3.497 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000920181335 620788868 /nfs/dbraw/zinc/78/88/68/620788868.db2.gz OGHPYHPUUYASHV-UHFFFAOYSA-N 1 0 308.429 3.426 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c(O)c1OC ZINC000894628867 618405567 /nfs/dbraw/zinc/40/55/67/618405567.db2.gz RANWQPMQXJBEPB-HOTGVXAUSA-N 1 0 313.397 3.303 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c1O ZINC000894683615 618422844 /nfs/dbraw/zinc/42/28/44/618422844.db2.gz BYAMKTWKZMBQEW-KBPBESRZSA-N 1 0 307.434 3.393 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1O ZINC000894870317 618483473 /nfs/dbraw/zinc/48/34/73/618483473.db2.gz KBQXZYBYIGXVOI-UHFFFAOYSA-N 1 0 319.445 3.226 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1OC ZINC000893255516 618487720 /nfs/dbraw/zinc/48/77/20/618487720.db2.gz JUDJLKODIVGYAJ-UKRRQHHQSA-N 1 0 323.433 3.093 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1OC ZINC000893255517 618487978 /nfs/dbraw/zinc/48/79/78/618487978.db2.gz JUDJLKODIVGYAJ-ZFWWWQNUSA-N 1 0 323.433 3.093 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000894938873 618502249 /nfs/dbraw/zinc/50/22/49/618502249.db2.gz GGLNVYGLQKTSQO-HNNXBMFYSA-N 1 0 313.445 3.185 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c(Cl)c1 ZINC000840914221 618527651 /nfs/dbraw/zinc/52/76/51/618527651.db2.gz RKXJSVVDMJONLN-ZDUSSCGKSA-N 1 0 305.809 3.388 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c(O)c1OC ZINC000893438334 618557280 /nfs/dbraw/zinc/55/72/80/618557280.db2.gz ZLFXYBUVCJSZGI-ZDUSSCGKSA-N 1 0 305.418 3.422 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1O ZINC000895273195 618585698 /nfs/dbraw/zinc/58/56/98/618585698.db2.gz JBCFKWPTWYPBPM-MRXNPFEDSA-N 1 0 318.461 3.206 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]CC3CCC(OC)CC3)C2)cc1 ZINC000895308791 618592744 /nfs/dbraw/zinc/59/27/44/618592744.db2.gz CIIOSFRALUXVAE-PQUAAJSLSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(C[NH+]2CCC(C3CCC3)CC2)c(O)c1OC ZINC000895338308 618597619 /nfs/dbraw/zinc/59/76/19/618597619.db2.gz PYUDMQKDXQFELB-UHFFFAOYSA-N 1 0 305.418 3.422 20 10 DGCDRO Cc1nc(C)c(CC[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000840934341 618609823 /nfs/dbraw/zinc/60/98/23/618609823.db2.gz OQIBYYVQXWBSPK-UHFFFAOYSA-N 1 0 303.475 3.467 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000840934337 618609845 /nfs/dbraw/zinc/60/98/45/618609845.db2.gz ONCHKZLDEVTQCZ-OAHLLOKOSA-N 1 0 311.429 3.178 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000840937485 618610539 /nfs/dbraw/zinc/61/05/39/618610539.db2.gz VAKJYIAFYXZKFC-FUHWJXTLSA-N 1 0 320.502 3.205 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C ZINC000840941003 618613686 /nfs/dbraw/zinc/61/36/86/618613686.db2.gz MLDGXZPOEPNCRV-AWEZNQCLSA-N 1 0 321.465 3.064 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000840948723 618620820 /nfs/dbraw/zinc/62/08/20/618620820.db2.gz ICMZKANKRQSWJM-LJQANCHMSA-N 1 0 304.478 3.292 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c(O)c1OC ZINC000893684934 618638358 /nfs/dbraw/zinc/63/83/58/618638358.db2.gz IEVXLIBNQFRTAQ-GOEBONIOSA-N 1 0 323.433 3.093 20 10 DGCDRO C[C@H]([NH2+]Cc1cn2ccnc2s1)c1ccc(N(C)C)cc1 ZINC000893684189 618638579 /nfs/dbraw/zinc/63/85/79/618638579.db2.gz OZNFRSWWRPOSFR-LBPRGKRZSA-N 1 0 300.431 3.313 20 10 DGCDRO CCC[N@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1O ZINC000893984637 618689418 /nfs/dbraw/zinc/68/94/18/618689418.db2.gz ROMCXVZNWHBIRG-UHFFFAOYSA-N 1 0 311.385 3.386 20 10 DGCDRO COc1cc(C)cc(C[N@H+](CCCO)Cc2ccccc2)c1O ZINC000894004133 618692789 /nfs/dbraw/zinc/69/27/89/618692789.db2.gz YLZXJOHNEXGEEL-UHFFFAOYSA-N 1 0 315.413 3.094 20 10 DGCDRO COc1ccnc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000924862638 618710139 /nfs/dbraw/zinc/71/01/39/618710139.db2.gz QWYJRDQAJCGKLM-LBPRGKRZSA-N 1 0 303.381 3.146 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCOc2ccccc2F)c1O ZINC000894141650 618719188 /nfs/dbraw/zinc/71/91/88/618719188.db2.gz UZEJKACYTJSLQF-UHFFFAOYSA-N 1 0 305.349 3.017 20 10 DGCDRO COCc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894181562 618724982 /nfs/dbraw/zinc/72/49/82/618724982.db2.gz VIFLQPVNQYBFRP-UHFFFAOYSA-N 1 0 301.386 3.145 20 10 DGCDRO Cc1noc2ncc(C[NH2+]Cc3ccc(N(C)C)c(F)c3)cc12 ZINC000894208912 618730377 /nfs/dbraw/zinc/73/03/77/618730377.db2.gz NELKMGCVSGPUSN-UHFFFAOYSA-N 1 0 314.364 3.026 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1O ZINC000894312644 618762053 /nfs/dbraw/zinc/76/20/53/618762053.db2.gz LXZSZCGUHJFOIW-KBRIMQKVSA-N 1 0 305.418 3.002 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000894325513 618764792 /nfs/dbraw/zinc/76/47/92/618764792.db2.gz JGPWIGUISQQZJC-PXAZEXFGSA-N 1 0 319.376 3.060 20 10 DGCDRO COc1cccc(C2([NH2+]Cc3cc(C)cc(OC)c3O)CC2)c1 ZINC000894330879 618765557 /nfs/dbraw/zinc/76/55/57/618765557.db2.gz XJQGXTLKKBAKIB-UHFFFAOYSA-N 1 0 313.397 3.497 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1O ZINC000894359499 618771543 /nfs/dbraw/zinc/77/15/43/618771543.db2.gz QGULUTZZVLXAKY-ZTFGCOKTSA-N 1 0 317.429 3.147 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC(C)(C)CC(F)F)cc1OC ZINC000895535482 618796128 /nfs/dbraw/zinc/79/61/28/618796128.db2.gz RPWRDABFMIQDDB-UHFFFAOYSA-N 1 0 303.349 3.180 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@@H]2CCCC2(F)F)cc1OC ZINC000895544448 618797145 /nfs/dbraw/zinc/79/71/45/618797145.db2.gz JCQLGNGWXZCQCW-LBPRGKRZSA-N 1 0 315.360 3.325 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000895583587 618802447 /nfs/dbraw/zinc/80/24/47/618802447.db2.gz LXNVFEVPFXPWCS-GFCCVEGCSA-N 1 0 304.415 3.237 20 10 DGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2Cc3cccc(O)c3C2)C1 ZINC000895786142 618830455 /nfs/dbraw/zinc/83/04/55/618830455.db2.gz YZNAXUIRZVCYDZ-XBXGTLAGSA-N 1 0 318.417 3.011 20 10 DGCDRO CC(C)OC(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000895827819 618834374 /nfs/dbraw/zinc/83/43/74/618834374.db2.gz CJSALSUYTKPXGY-UHFFFAOYSA-N 1 0 311.809 3.209 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1F ZINC000895846423 618841366 /nfs/dbraw/zinc/84/13/66/618841366.db2.gz UBKFKXDIUAGFLR-YVEFUNNKSA-N 1 0 310.388 3.032 20 10 DGCDRO Cn1ccc(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000896495045 618920159 /nfs/dbraw/zinc/92/01/59/618920159.db2.gz GZSDXSDZKWEKNP-UHFFFAOYSA-N 1 0 305.809 3.159 20 10 DGCDRO Cn1ccc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000896494145 618920237 /nfs/dbraw/zinc/92/02/37/618920237.db2.gz ZSHGNHGWFNPQQV-NSHDSACASA-N 1 0 323.799 3.298 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000896862473 618972037 /nfs/dbraw/zinc/97/20/37/618972037.db2.gz FLMIDGFJELGCSW-OIBJUYFYSA-N 1 0 309.715 3.342 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)C(=O)N(C)CC)cc1 ZINC000788972626 625309687 /nfs/dbraw/zinc/30/96/87/625309687.db2.gz CJCHICHXHLZOOH-MRXNPFEDSA-N 1 0 319.493 3.269 20 10 DGCDRO CCO[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000897069206 619011174 /nfs/dbraw/zinc/01/11/74/619011174.db2.gz RZQRFYZFSJOPSB-LBPRGKRZSA-N 1 0 314.223 3.074 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1O ZINC000897080745 619012163 /nfs/dbraw/zinc/01/21/63/619012163.db2.gz BHPUVCDEWLSFKJ-OAHLLOKOSA-N 1 0 323.824 3.275 20 10 DGCDRO COc1ccc(C[NH2+]Cc2c(C)cccc2O)c(C)c1OC ZINC000897245775 619036282 /nfs/dbraw/zinc/03/62/82/619036282.db2.gz ITVHUICOHVCZDK-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000897298720 619048120 /nfs/dbraw/zinc/04/81/20/619048120.db2.gz HLIODYGVKMNQJP-CYBMUJFWSA-N 1 0 318.442 3.230 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469567 619131650 /nfs/dbraw/zinc/13/16/50/619131650.db2.gz MPIZOGUXXVNLBI-LBPRGKRZSA-N 1 0 316.357 3.202 20 10 DGCDRO COc1c(Cl)cccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000897483838 619135650 /nfs/dbraw/zinc/13/56/50/619135650.db2.gz WRCUWWITGQWTQU-UHFFFAOYSA-N 1 0 321.760 3.073 20 10 DGCDRO COc1ccccc1N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000897923892 619195783 /nfs/dbraw/zinc/19/57/83/619195783.db2.gz YANIEPMQTYIZMW-UHFFFAOYSA-N 1 0 312.413 3.113 20 10 DGCDRO Cc1ccc(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)c(O)c1 ZINC000898165730 619219216 /nfs/dbraw/zinc/21/92/16/619219216.db2.gz JWNDHDYFMDVJGC-INIZCTEOSA-N 1 0 309.413 3.080 20 10 DGCDRO Cc1cccc(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1O ZINC000898168249 619220221 /nfs/dbraw/zinc/22/02/21/619220221.db2.gz YRSZIOIVCIGNLZ-INIZCTEOSA-N 1 0 309.413 3.080 20 10 DGCDRO COc1ccc(C[N@H+](CCCO)Cc2cccc(C)c2O)cc1 ZINC000898172815 619220499 /nfs/dbraw/zinc/22/04/99/619220499.db2.gz AVLBWSVJAJUOPR-UHFFFAOYSA-N 1 0 315.413 3.094 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOC2CCOCC2)c1O ZINC000927077043 619262507 /nfs/dbraw/zinc/26/25/07/619262507.db2.gz QTVIUKIENCCSRR-LBPRGKRZSA-N 1 0 313.825 3.200 20 10 DGCDRO COC(=O)C1(CCCC[NH2+]Cc2cc(OC)ccc2O)CCC1 ZINC000898412630 619271941 /nfs/dbraw/zinc/27/19/41/619271941.db2.gz VGAFBCAHWBNVNP-UHFFFAOYSA-N 1 0 321.417 3.004 20 10 DGCDRO COC(=O)C1(CCCC[NH2+]Cc2c(O)cccc2OC)CCC1 ZINC000898412971 619271984 /nfs/dbraw/zinc/27/19/84/619271984.db2.gz HHVGJPVIUCRSTJ-UHFFFAOYSA-N 1 0 321.417 3.004 20 10 DGCDRO Cc1coc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898448192 619275746 /nfs/dbraw/zinc/27/57/46/619275746.db2.gz QOMUGQLWORIHIF-SFHVURJKSA-N 1 0 301.434 3.047 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCOC2CCSCC2)cc1 ZINC000898441696 619276479 /nfs/dbraw/zinc/27/64/79/619276479.db2.gz XGGFMEPHDXUVPG-ONEGZZNKSA-N 1 0 320.502 3.268 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCc3cccnc32)N(C)C)cc1 ZINC000898447961 619276748 /nfs/dbraw/zinc/27/67/48/619276748.db2.gz NSTYPHIBJPUJMP-RBUKOAKNSA-N 1 0 324.472 3.027 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCc3cccnc32)N(C)C)cc1 ZINC000898447963 619276866 /nfs/dbraw/zinc/27/68/66/619276866.db2.gz NSTYPHIBJPUJMP-RTBURBONSA-N 1 0 324.472 3.027 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000898478317 619279216 /nfs/dbraw/zinc/27/92/16/619279216.db2.gz GZUFWDLOYALFRW-YPMHNXCESA-N 1 0 311.809 3.175 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000898512326 619281737 /nfs/dbraw/zinc/28/17/37/619281737.db2.gz ISXZHINRIPZZMZ-CVEARBPZSA-N 1 0 319.445 3.348 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000898512332 619282344 /nfs/dbraw/zinc/28/23/44/619282344.db2.gz ISXZHINRIPZZMZ-JKSUJKDBSA-N 1 0 319.445 3.348 20 10 DGCDRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000899181593 619316353 /nfs/dbraw/zinc/31/63/53/619316353.db2.gz GQBAWBGSQKPUPY-LSBZLQRGSA-N 1 0 324.424 3.262 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000902869463 619684439 /nfs/dbraw/zinc/68/44/39/619684439.db2.gz XESSUAHHYGKSFO-DOTOQJQBSA-N 1 0 319.445 3.476 20 10 DGCDRO CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000903047983 619710536 /nfs/dbraw/zinc/71/05/36/619710536.db2.gz VGLKTBFORCFLLY-TXPKVOOTSA-N 1 0 318.461 3.211 20 10 DGCDRO CCN(C(=O)C[NH2+][C@@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000903196947 619734598 /nfs/dbraw/zinc/73/45/98/619734598.db2.gz ISQXNRVZZHHWMY-HNNXBMFYSA-N 1 0 312.413 3.404 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cc(N(C)C)ccn2)cc1 ZINC000903201897 619735816 /nfs/dbraw/zinc/73/58/16/619735816.db2.gz QOFYAMOBDHDTDZ-OAHLLOKOSA-N 1 0 312.461 3.455 20 10 DGCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903256124 619745766 /nfs/dbraw/zinc/74/57/66/619745766.db2.gz HKDSUBPMNTXTAK-WFASDCNBSA-N 1 0 317.351 3.453 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(C3(O)CCC3)CC2)cc1 ZINC000903258214 619746215 /nfs/dbraw/zinc/74/62/15/619746215.db2.gz SGWDMTOZGXXGRY-OAHLLOKOSA-N 1 0 302.462 3.489 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@]1(OC)CCSC1)c1ccc(N(C)C)cc1 ZINC000903308895 619757038 /nfs/dbraw/zinc/75/70/38/619757038.db2.gz AITMYXPXDVAONZ-SJORKVTESA-N 1 0 308.491 3.315 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(F)c2)c1 ZINC000903310301 619757300 /nfs/dbraw/zinc/75/73/00/619757300.db2.gz PUYJFKNWZWRGDM-KPZWWZAWSA-N 1 0 319.376 3.098 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(C(F)(F)F)cc1O ZINC000903317399 619758774 /nfs/dbraw/zinc/75/87/74/619758774.db2.gz KFYCSRYBNRXHRZ-YPMHNXCESA-N 1 0 302.340 3.156 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1 ZINC000903340474 619760171 /nfs/dbraw/zinc/76/01/71/619760171.db2.gz IBCGQLHJRCQRNP-JTQLQIEISA-N 1 0 313.323 3.304 20 10 DGCDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903331827 619762672 /nfs/dbraw/zinc/76/26/72/619762672.db2.gz NZQVYTYMWLVZJM-KGLIPLIRSA-N 1 0 324.440 3.126 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(OC(C)C)CCOC2)cc1 ZINC000903359591 619765210 /nfs/dbraw/zinc/76/52/10/619765210.db2.gz DPPBWRYBRSVLKJ-VQIMIIECSA-N 1 0 320.477 3.377 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(C)cc1O ZINC000903389495 619770584 /nfs/dbraw/zinc/77/05/84/619770584.db2.gz LZOMCCUCHAFSSC-RDJZCZTQSA-N 1 0 305.418 3.079 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(Cl)cc1O ZINC000903441113 619775818 /nfs/dbraw/zinc/77/58/18/619775818.db2.gz XPXHKEKNVNBESU-IGGJQXEISA-N 1 0 303.789 3.355 20 10 DGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000903450710 619779037 /nfs/dbraw/zinc/77/90/37/619779037.db2.gz LOWCOUXCONRDEC-LOWVWBTDSA-N 1 0 311.809 3.428 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)CNc1ccccn1 ZINC000908045923 620187800 /nfs/dbraw/zinc/18/78/00/620187800.db2.gz VLWVCCOZNAIEQF-UHFFFAOYSA-N 1 0 313.401 3.028 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000151285681 620436814 /nfs/dbraw/zinc/43/68/14/620436814.db2.gz AKUCWBVYLFEDFB-GOSISDBHSA-N 1 0 305.418 3.008 20 10 DGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151514775 620453773 /nfs/dbraw/zinc/45/37/73/620453773.db2.gz DVBBGNIFMFYAKM-UONOGXRCSA-N 1 0 308.441 3.311 20 10 DGCDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cc(Br)ccc1O ZINC000759834849 620480291 /nfs/dbraw/zinc/48/02/91/620480291.db2.gz ABIUPQXPLBBUQV-GHMZBOCLSA-N 1 0 314.223 3.059 20 10 DGCDRO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000152080939 620490707 /nfs/dbraw/zinc/49/07/07/620490707.db2.gz DTVWEKWOXPOSFW-IAGOWNOFSA-N 1 0 319.468 3.388 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@](C)(CO)C2CCCCC2)c1 ZINC000152759223 620521831 /nfs/dbraw/zinc/52/18/31/620521831.db2.gz YHWWRWSCHWIFCG-SFHVURJKSA-N 1 0 307.434 3.212 20 10 DGCDRO Cc1cc(C(=O)NC[C@@H](C)[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000914880153 620559150 /nfs/dbraw/zinc/55/91/50/620559150.db2.gz VVRGFYCFKRADJA-OAHLLOKOSA-N 1 0 313.445 3.082 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000915791797 620597775 /nfs/dbraw/zinc/59/77/75/620597775.db2.gz YWUORXGUYVIBCM-UHFFFAOYSA-N 1 0 310.441 3.327 20 10 DGCDRO C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921505506 620876780 /nfs/dbraw/zinc/87/67/80/620876780.db2.gz ZDJXCTVRDBBHBS-UHFFFAOYSA-N 1 0 310.441 3.363 20 10 DGCDRO COc1cc(OC)c(C[NH2+]Cc2cc(C)ccc2O)c(OC)c1 ZINC000113324227 620904621 /nfs/dbraw/zinc/90/46/21/620904621.db2.gz RFJJTFINNJSTQY-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2)cc1F ZINC000113346461 620905139 /nfs/dbraw/zinc/90/51/39/620905139.db2.gz IEWTYJORBIUXLB-UHFFFAOYSA-N 1 0 315.392 3.010 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1F ZINC000921622703 620916904 /nfs/dbraw/zinc/91/69/04/620916904.db2.gz GMLWMWJVPNIRHB-OWCLPIDISA-N 1 0 306.425 3.187 20 10 DGCDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(C2CCCC2)n1 ZINC000921652002 620927311 /nfs/dbraw/zinc/92/73/11/620927311.db2.gz VQAIQNBLUIBTOL-UHFFFAOYSA-N 1 0 311.429 3.302 20 10 DGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)c2c(c1)OCCO2 ZINC000921739710 620942568 /nfs/dbraw/zinc/94/25/68/620942568.db2.gz CDCGPAXWTZQODL-UHFFFAOYSA-N 1 0 311.381 3.073 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921748568 620944076 /nfs/dbraw/zinc/94/40/76/620944076.db2.gz XZDJWVVQHINNEU-KBAYOESNSA-N 1 0 302.462 3.356 20 10 DGCDRO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H]2CCCO[C@@H]21 ZINC000921782118 620949441 /nfs/dbraw/zinc/94/94/41/620949441.db2.gz QWTFLWDUCYFGMJ-JQHSSLGASA-N 1 0 301.430 3.305 20 10 DGCDRO Cc1noc(C)c1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921827580 620956739 /nfs/dbraw/zinc/95/67/39/620956739.db2.gz OCUUGAHQYAESOU-UHFFFAOYSA-N 1 0 300.402 3.339 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccc(N(C)C)cc1 ZINC000922016152 620981007 /nfs/dbraw/zinc/98/10/07/620981007.db2.gz ZLHARWCACCYZPZ-GFCCVEGCSA-N 1 0 311.385 3.450 20 10 DGCDRO c1cncc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)c1 ZINC000922162733 620999144 /nfs/dbraw/zinc/99/91/44/620999144.db2.gz JAKIRSHFEQNBST-UYAOXDASSA-N 1 0 324.424 3.417 20 10 DGCDRO O=C1Nc2ccccc2CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922225077 621009184 /nfs/dbraw/zinc/00/91/84/621009184.db2.gz QAJWLKHRADZNIH-GOSISDBHSA-N 1 0 322.408 3.055 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000922440609 621037970 /nfs/dbraw/zinc/03/79/70/621037970.db2.gz SNHQPHGIWVQFTK-LNLFQRSKSA-N 1 0 300.446 3.049 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1CO ZINC000857061026 621052982 /nfs/dbraw/zinc/05/29/82/621052982.db2.gz IDFUGAVWSRJIDI-FUHWJXTLSA-N 1 0 302.462 3.127 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000922693320 621080090 /nfs/dbraw/zinc/08/00/90/621080090.db2.gz FDLYAYUKMRXCNU-JSGCOSHPSA-N 1 0 303.324 3.290 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000922693319 621080376 /nfs/dbraw/zinc/08/03/76/621080376.db2.gz FDLYAYUKMRXCNU-GXTWGEPZSA-N 1 0 303.324 3.290 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)c(O)c1 ZINC000922701005 621085284 /nfs/dbraw/zinc/08/52/84/621085284.db2.gz ZHKRNIHVBOWUSK-UHFFFAOYSA-N 1 0 318.442 3.416 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000115629395 621119233 /nfs/dbraw/zinc/11/92/33/621119233.db2.gz OYFKXADBZQCPPW-UHFFFAOYSA-N 1 0 312.413 3.122 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)c(O)c1 ZINC000922893834 621121729 /nfs/dbraw/zinc/12/17/29/621121729.db2.gz JAQDLOBHCZYNOV-QGZVFWFLSA-N 1 0 303.406 3.011 20 10 DGCDRO CC(C)[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000922894299 621121747 /nfs/dbraw/zinc/12/17/47/621121747.db2.gz OXGZPTIJRADJQX-GHOSXJJBSA-N 1 0 312.461 3.486 20 10 DGCDRO CCOCc1cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)ccc1OC ZINC000923026911 621149415 /nfs/dbraw/zinc/14/94/15/621149415.db2.gz DQXDFFUQCMZUHR-SFHVURJKSA-N 1 0 319.445 3.423 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCc2ccccc2O)cc1F ZINC000858121042 621155401 /nfs/dbraw/zinc/15/54/01/621155401.db2.gz SLIJKBCAXHUWRL-UHFFFAOYSA-N 1 0 306.356 3.069 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]CCCc2nccs2)cc1F ZINC000858141827 621157175 /nfs/dbraw/zinc/15/71/75/621157175.db2.gz ROADOPVKDXCYTL-UHFFFAOYSA-N 1 0 311.401 3.210 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CCO)c2ccccc2)cc1F ZINC000858144851 621157929 /nfs/dbraw/zinc/15/79/29/621157929.db2.gz VVQYYLZMDRCOGH-QGZVFWFLSA-N 1 0 320.383 3.244 20 10 DGCDRO COC(C)(C)C[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858146673 621157973 /nfs/dbraw/zinc/15/79/73/621157973.db2.gz KYMJXEVSBJOOPQ-JTQLQIEISA-N 1 0 316.239 3.448 20 10 DGCDRO C[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nccs1 ZINC000858156293 621159934 /nfs/dbraw/zinc/15/99/34/621159934.db2.gz HFBPZFDTEIXHMN-JTQLQIEISA-N 1 0 311.401 3.381 20 10 DGCDRO COC1([C@@H](C)[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000858179117 621161900 /nfs/dbraw/zinc/16/19/00/621161900.db2.gz YVOYUUDBXUDTIH-SNVBAGLBSA-N 1 0 314.223 3.202 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000858187367 621162945 /nfs/dbraw/zinc/16/29/45/621162945.db2.gz TXSHRAYYRZDCNO-BMIPRAEKSA-N 1 0 300.446 3.298 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1O ZINC000858211416 621165223 /nfs/dbraw/zinc/16/52/23/621165223.db2.gz HWVPWJIEJMUVDR-KRWDZBQOSA-N 1 0 313.397 3.022 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)c(C)c1OC ZINC000858239946 621167339 /nfs/dbraw/zinc/16/73/39/621167339.db2.gz WXXVKQLXQZVHEM-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO Cc1cc(C2([NH2+]Cc3cc(Cl)ccc3O)CCOCC2)on1 ZINC000858325493 621176164 /nfs/dbraw/zinc/17/61/64/621176164.db2.gz BULDHKVOEHJPPF-UHFFFAOYSA-N 1 0 322.792 3.138 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1N(C)C ZINC000923327625 621176356 /nfs/dbraw/zinc/17/63/56/621176356.db2.gz DWEFTRFJKUNNKB-ZWKOTPCHSA-N 1 0 301.478 3.025 20 10 DGCDRO COc1ccc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000858343119 621178379 /nfs/dbraw/zinc/17/83/79/621178379.db2.gz XVZCOUJKHQRBQT-LJQANCHMSA-N 1 0 311.429 3.397 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@@H]3CCCCO3)C2)cc1 ZINC000858428491 621189597 /nfs/dbraw/zinc/18/95/97/621189597.db2.gz URKCKEAJQOPPEP-MDZRGWNJSA-N 1 0 318.461 3.069 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(F)ccc1O ZINC000858453920 621192936 /nfs/dbraw/zinc/19/29/36/621192936.db2.gz QLVSJOZJAKYGHZ-LRDDRELGSA-N 1 0 301.361 3.323 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3cccc(C)c3C2)c1 ZINC000858459311 621193710 /nfs/dbraw/zinc/19/37/10/621193710.db2.gz CFCDTMWCCVMGPA-ZIAGYGMSSA-N 1 0 313.397 3.364 20 10 DGCDRO C[C@H]([NH2+]CC1CC=CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858462224 621193814 /nfs/dbraw/zinc/19/38/14/621193814.db2.gz SWOWZWJXQIZTPX-AWEZNQCLSA-N 1 0 304.409 3.279 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC=C(C(=O)OC)C2)cc1 ZINC000858471950 621195263 /nfs/dbraw/zinc/19/52/63/621195263.db2.gz FKOCRIVBTIIVFQ-BBRMVZONSA-N 1 0 302.418 3.055 20 10 DGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000858505595 621199396 /nfs/dbraw/zinc/19/93/96/621199396.db2.gz NCOGGOHJMBCLGV-AEFFLSMTSA-N 1 0 316.445 3.445 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000858505487 621199432 /nfs/dbraw/zinc/19/94/32/621199432.db2.gz LCORRNSTACVUME-VHRBIJSZSA-N 1 0 319.376 3.321 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(=O)[nH]n2)c(C)n1-c1ccccc1 ZINC000858542038 621203359 /nfs/dbraw/zinc/20/33/59/621203359.db2.gz HQNDOOLWFIRFLN-CQSZACIVSA-N 1 0 322.412 3.441 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccc(N2CCOCC2)cc1 ZINC000858579944 621206860 /nfs/dbraw/zinc/20/68/60/621206860.db2.gz ZNOFDEUGMHCBHJ-KGLIPLIRSA-N 1 0 317.458 3.392 20 10 DGCDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000858583992 621207158 /nfs/dbraw/zinc/20/71/58/621207158.db2.gz KDWALLYVNWSBTA-DLOVCJGASA-N 1 0 314.223 3.291 20 10 DGCDRO CCO[C@@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000859191133 621258961 /nfs/dbraw/zinc/25/89/61/621258961.db2.gz WQKXZRNMAFJBKC-MJGOQNOKSA-N 1 0 319.445 3.188 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(CO)ccc1F)c1ccc(N(C)C)cc1 ZINC000859258811 621265801 /nfs/dbraw/zinc/26/58/01/621265801.db2.gz UFBQTMKVMZMGED-CYBMUJFWSA-N 1 0 302.393 3.235 20 10 DGCDRO CCC[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)Cc1ccccc1O ZINC000838859283 621291652 /nfs/dbraw/zinc/29/16/52/621291652.db2.gz IYRLDASILJFNRC-UHFFFAOYSA-N 1 0 313.401 3.177 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)[C@H]1SC ZINC000838963456 621307762 /nfs/dbraw/zinc/30/77/62/621307762.db2.gz VOGCUJWLSCTENL-IJLUTSLNSA-N 1 0 318.533 3.124 20 10 DGCDRO CCCC[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144756 621332404 /nfs/dbraw/zinc/33/24/04/621332404.db2.gz KDVFMKJTVHGBPL-ZDUSSCGKSA-N 1 0 312.404 3.470 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CC(Cc2ccc(F)c(F)c2)C1 ZINC000839145601 621332490 /nfs/dbraw/zinc/33/24/90/621332490.db2.gz UPWYQSTXZJRPOH-UHFFFAOYSA-N 1 0 319.351 3.354 20 10 DGCDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146527 621332761 /nfs/dbraw/zinc/33/27/61/621332761.db2.gz KVDYOLXEDDGVLC-LRDDRELGSA-N 1 0 310.388 3.080 20 10 DGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146452 621332998 /nfs/dbraw/zinc/33/29/98/621332998.db2.gz HUBIMZNLJNBLSW-STQMWFEESA-N 1 0 312.404 3.326 20 10 DGCDRO CCC(CC)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146437 621333124 /nfs/dbraw/zinc/33/31/24/621333124.db2.gz HPXSFPYXAIQDMY-UHFFFAOYSA-N 1 0 312.404 3.327 20 10 DGCDRO COc1c(O)c(C[NH+]2CC(C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000839137020 621339456 /nfs/dbraw/zinc/33/94/56/621339456.db2.gz WVFLVFVFBHBCEP-UHFFFAOYSA-N 1 0 320.389 3.321 20 10 DGCDRO C[C@H](CC1CC1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839143855 621340919 /nfs/dbraw/zinc/34/09/19/621340919.db2.gz CYYPZPMQSBZEOL-GFCCVEGCSA-N 1 0 310.388 3.080 20 10 DGCDRO C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000839180119 621343487 /nfs/dbraw/zinc/34/34/87/621343487.db2.gz CIRKRLQYXCJHKG-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](CO)c1ccc(OC)cc1)c1ccccc1O ZINC000839184895 621345340 /nfs/dbraw/zinc/34/53/40/621345340.db2.gz MGXAUILXSDWXTB-QAPCUYQASA-N 1 0 315.413 3.218 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)c(O)c1 ZINC000753576265 621450488 /nfs/dbraw/zinc/45/04/88/621450488.db2.gz QJVIRUYHKBATGX-INIZCTEOSA-N 1 0 305.418 3.039 20 10 DGCDRO CCOc1ccc(O)c(CN(CCC[NH3+])c2cccc(F)c2)c1 ZINC000753589513 621451860 /nfs/dbraw/zinc/45/18/60/621451860.db2.gz IJBFTICKXQVZPA-UHFFFAOYSA-N 1 0 318.392 3.285 20 10 DGCDRO CCOc1cccc(CN(CCC[NH3+])c2ccccc2F)c1O ZINC000753590323 621452476 /nfs/dbraw/zinc/45/24/76/621452476.db2.gz LNSGMSLPPSVRKM-UHFFFAOYSA-N 1 0 318.392 3.285 20 10 DGCDRO CCOc1ccc(CN(CCC[NH3+])c2ccccc2F)c(O)c1 ZINC000753592104 621452477 /nfs/dbraw/zinc/45/24/77/621452477.db2.gz WINSCTANQMARMQ-UHFFFAOYSA-N 1 0 318.392 3.285 20 10 DGCDRO COc1ccc(N2CCC[N@H+](CC[C@H]3CCCCO3)CC2)cc1 ZINC000754016460 621479951 /nfs/dbraw/zinc/47/99/51/621479951.db2.gz XERZTPWBFJLXGA-LJQANCHMSA-N 1 0 318.461 3.167 20 10 DGCDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000754130939 621490276 /nfs/dbraw/zinc/49/02/76/621490276.db2.gz TWYOMMJYZXIZON-AYDFFVQHSA-N 1 0 306.425 3.185 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000754727434 621528392 /nfs/dbraw/zinc/52/83/92/621528392.db2.gz ZSHBQHIMPXBASH-UHFFFAOYSA-N 1 0 318.461 3.089 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1O ZINC000754739755 621530135 /nfs/dbraw/zinc/53/01/35/621530135.db2.gz OBYUSXPSDKLDCI-INIZCTEOSA-N 1 0 315.417 3.088 20 10 DGCDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000755224232 621559627 /nfs/dbraw/zinc/55/96/27/621559627.db2.gz ZFKBETWNSRHWRM-VIFPVBQESA-N 1 0 305.296 3.332 20 10 DGCDRO COc1ccc(N2CCC[N@H+](C[C@]3(C)CCCS3)CC2)cc1 ZINC000862231794 621564269 /nfs/dbraw/zinc/56/42/69/621564269.db2.gz MPZDCGLVVBHEEZ-SFHVURJKSA-N 1 0 320.502 3.493 20 10 DGCDRO CN(C)c1cc(F)c(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1F ZINC000862300428 621573100 /nfs/dbraw/zinc/57/31/00/621573100.db2.gz PBQUXVJSQSOTEH-YVEFUNNKSA-N 1 0 312.404 3.014 20 10 DGCDRO CC(C)[N@H+](Cc1c(O)cccc1Br)[C@H]1CCOC1 ZINC000862372520 621581109 /nfs/dbraw/zinc/58/11/09/621581109.db2.gz NFEDBVFQSOJUEP-NSHDSACASA-N 1 0 314.223 3.154 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F ZINC000862384248 621582214 /nfs/dbraw/zinc/58/22/14/621582214.db2.gz SLNUBBDOWQUKMZ-MZMPZRCHSA-N 1 0 324.415 3.156 20 10 DGCDRO CC[C@H](C)[N@H+](CCO)Cc1cc(Br)cc(C)c1O ZINC000862387450 621582922 /nfs/dbraw/zinc/58/29/22/621582922.db2.gz LYEAQBMIYHYPPN-NSHDSACASA-N 1 0 316.239 3.056 20 10 DGCDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000862387623 621583143 /nfs/dbraw/zinc/58/31/43/621583143.db2.gz OMOHAXOGWKRTOJ-CYBMUJFWSA-N 1 0 309.450 3.291 20 10 DGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000862403174 621585585 /nfs/dbraw/zinc/58/55/85/621585585.db2.gz WVANCMQTTVVIRW-GFCCVEGCSA-N 1 0 318.161 3.386 20 10 DGCDRO C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000862483861 621594202 /nfs/dbraw/zinc/59/42/02/621594202.db2.gz ZQRIMQVMVWJUNF-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000862540364 621598168 /nfs/dbraw/zinc/59/81/68/621598168.db2.gz CZTFMPLYNCUFDB-CQSZACIVSA-N 1 0 322.449 3.354 20 10 DGCDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(Br)cc1O ZINC000862538962 621598196 /nfs/dbraw/zinc/59/81/96/621598196.db2.gz GXPQMIZZLHVDKO-UHFFFAOYSA-N 1 0 316.239 3.138 20 10 DGCDRO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000756139117 621617908 /nfs/dbraw/zinc/61/79/08/621617908.db2.gz QNSGMGPBLRCEJN-UHFFFAOYSA-N 1 0 323.440 3.336 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]CCCOC[C@H]2CCCO2)c2c1c(F)ccc2O ZINC000756357026 621630454 /nfs/dbraw/zinc/63/04/54/621630454.db2.gz BIRAWZJSNNWHJM-NFAWXSAZSA-N 1 0 323.408 3.255 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)c(O)c1C ZINC000756365519 621631596 /nfs/dbraw/zinc/63/15/96/621631596.db2.gz ASGZRZSYYAFZNM-ZOBUZTSGSA-N 1 0 320.477 3.159 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c(O)c1C ZINC000756366916 621631980 /nfs/dbraw/zinc/63/19/80/621631980.db2.gz JUANYQXQYQYYDI-AEFFLSMTSA-N 1 0 320.477 3.016 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000756380249 621633439 /nfs/dbraw/zinc/63/34/39/621633439.db2.gz FQGRODMLDPITKY-ZWNOBZJWSA-N 1 0 302.349 3.273 20 10 DGCDRO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc2ccccc2c1O ZINC000756383696 621633470 /nfs/dbraw/zinc/63/34/70/621633470.db2.gz ZYJUHGNYUNYLAR-ACJLOTCBSA-N 1 0 320.392 3.423 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000756411364 621636364 /nfs/dbraw/zinc/63/63/64/621636364.db2.gz OSKCXZDGPLDQRL-KFWWJZLASA-N 1 0 306.450 3.314 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000756411365 621636497 /nfs/dbraw/zinc/63/64/97/621636497.db2.gz OSKCXZDGPLDQRL-KKUMJFAQSA-N 1 0 306.450 3.314 20 10 DGCDRO C[C@H](Cc1cnccn1)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756495861 621642008 /nfs/dbraw/zinc/64/20/08/621642008.db2.gz SQQSVZFFSGZCMC-GYSYKLTISA-N 1 0 301.365 3.090 20 10 DGCDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756513613 621643941 /nfs/dbraw/zinc/64/39/41/621643941.db2.gz OQNGAEBPJKOKAZ-XPTSAGLGSA-N 1 0 303.381 3.220 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c2c1c(F)ccc2O ZINC000756517955 621644509 /nfs/dbraw/zinc/64/45/09/621644509.db2.gz RIRWOGJETOWBCE-ZYHUDNBSSA-N 1 0 324.396 3.194 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000756545704 621646530 /nfs/dbraw/zinc/64/65/30/621646530.db2.gz ODKXZXFIAFFLHA-XJKSGUPXSA-N 1 0 300.446 3.158 20 10 DGCDRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000756556992 621648644 /nfs/dbraw/zinc/64/86/44/621648644.db2.gz ZGFGZZWDDKTNQU-HNNXBMFYSA-N 1 0 320.477 3.241 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]CCN(C)CC(F)(F)F)c2c1c(F)ccc2O ZINC000756568407 621649677 /nfs/dbraw/zinc/64/96/77/621649677.db2.gz DSNPPJMIGDZZQD-ONGXEEELSA-N 1 0 320.330 3.163 20 10 DGCDRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cc2c(cc1O)CCCC2 ZINC000756585100 621651346 /nfs/dbraw/zinc/65/13/46/621651346.db2.gz XEFSVUYCFQHNFH-WMLDXEAASA-N 1 0 319.445 3.117 20 10 DGCDRO Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000756603430 621652205 /nfs/dbraw/zinc/65/22/05/621652205.db2.gz BPDNXAOWSRYLME-LJWDBELGSA-N 1 0 305.349 3.304 20 10 DGCDRO C[C@H]([NH2+]CCNc1ccccn1)c1cc2c(cc1O)CCCC2 ZINC000756613151 621652791 /nfs/dbraw/zinc/65/27/91/621652791.db2.gz ZZDLDLNIDNCEEN-AWEZNQCLSA-N 1 0 311.429 3.429 20 10 DGCDRO Cc1cccn2cc(CC[NH2+][C@H](C)c3cc(F)ccc3O)nc12 ZINC000756626769 621653635 /nfs/dbraw/zinc/65/36/35/621653635.db2.gz CJWYYIAZSHPYRT-CYBMUJFWSA-N 1 0 313.376 3.381 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Cl)ccc1O ZINC000756661340 621657302 /nfs/dbraw/zinc/65/73/02/621657302.db2.gz RANFJMOBFADVSO-RYUDHWBXSA-N 1 0 309.793 3.140 20 10 DGCDRO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756711482 621659853 /nfs/dbraw/zinc/65/98/53/621659853.db2.gz LIRBZSWNJWOPHT-BBRMVZONSA-N 1 0 301.386 3.093 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)ncn1 ZINC000756775924 621663714 /nfs/dbraw/zinc/66/37/14/621663714.db2.gz NDFBIKRSGOSDFA-SNVBAGLBSA-N 1 0 322.206 3.104 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)ncn1 ZINC000756777097 621663736 /nfs/dbraw/zinc/66/37/36/621663736.db2.gz UTZTXHSARCUCGW-SNVBAGLBSA-N 1 0 322.206 3.104 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000756774384 621663818 /nfs/dbraw/zinc/66/38/18/621663818.db2.gz CKSOZRDQFXFGEC-MFKMUULPSA-N 1 0 317.351 3.235 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)ncn1 ZINC000756775922 621663833 /nfs/dbraw/zinc/66/38/33/621663833.db2.gz NDFBIKRSGOSDFA-JTQLQIEISA-N 1 0 322.206 3.104 20 10 DGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)C2 ZINC000756774905 621663943 /nfs/dbraw/zinc/66/39/43/621663943.db2.gz MHQHJKDBRNNKEE-BXUZGUMPSA-N 1 0 317.360 3.194 20 10 DGCDRO Fc1cc(C[NH2+]CC23CCC(CC2)C3)ccc1N1CCOCC1 ZINC000756988670 621677949 /nfs/dbraw/zinc/67/79/49/621677949.db2.gz BWTKDIIXIGWEKW-UHFFFAOYSA-N 1 0 318.436 3.332 20 10 DGCDRO O[C@@H](CNc1ccc(Nc2ccccc2)cc1)C[NH+]1CCCC1 ZINC000863558325 621683426 /nfs/dbraw/zinc/68/34/26/621683426.db2.gz ZHZHXOMMUSLXCG-IBGZPJMESA-N 1 0 311.429 3.299 20 10 DGCDRO C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccccc1O ZINC000840797713 621694785 /nfs/dbraw/zinc/69/47/85/621694785.db2.gz WXZSWMHCTMKMDF-JMPLFQLZSA-N 1 0 319.426 3.378 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000806141204 621697613 /nfs/dbraw/zinc/69/76/13/621697613.db2.gz QHADYTIHOYDHAE-HIFRSBDPSA-N 1 0 316.367 3.261 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000806141206 621697810 /nfs/dbraw/zinc/69/78/10/621697810.db2.gz QHADYTIHOYDHAE-ZFWWWQNUSA-N 1 0 316.367 3.261 20 10 DGCDRO Cc1cc(C[NH+]2CCC(c3ccncn3)CC2)ccc1N(C)C ZINC000839622386 621701258 /nfs/dbraw/zinc/70/12/58/621701258.db2.gz PPKCPYWKQPVYKI-UHFFFAOYSA-N 1 0 310.445 3.231 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000839622151 621701261 /nfs/dbraw/zinc/70/12/61/621701261.db2.gz MWRYKIULGARCRC-UHFFFAOYSA-N 1 0 310.445 3.312 20 10 DGCDRO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccc2ccccc2c1O ZINC000757698835 621734210 /nfs/dbraw/zinc/73/42/10/621734210.db2.gz UFASITAHRVSRDE-GFCCVEGCSA-N 1 0 301.386 3.348 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000757798983 621740337 /nfs/dbraw/zinc/74/03/37/621740337.db2.gz GLTZAKFPLVTACX-YJBOKZPZSA-N 1 0 305.418 3.215 20 10 DGCDRO CCOc1ccc(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)OC)c(O)c1 ZINC000757801862 621740769 /nfs/dbraw/zinc/74/07/69/621740769.db2.gz YBUKBGBATNJDPH-MAUKXSAKSA-N 1 0 321.417 3.002 20 10 DGCDRO OC[C@H]([NH2+]Cc1ccccc1O)c1ccc(C(F)(F)F)cc1 ZINC000758630751 621792628 /nfs/dbraw/zinc/79/26/28/621792628.db2.gz JBBMLEAWIWRWMQ-AWEZNQCLSA-N 1 0 311.303 3.234 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCC=C(c3ccccc3)C1)OCO2 ZINC000789546079 625521520 /nfs/dbraw/zinc/52/15/20/625521520.db2.gz ODOVZUXMLCWYDR-UHFFFAOYSA-N 1 0 309.365 3.410 20 10 DGCDRO Oc1cccc(Br)c1CNc1[nH+]ccn1C1CC1 ZINC000865293819 621891634 /nfs/dbraw/zinc/89/16/34/621891634.db2.gz XNITUBYTPUJFMC-UHFFFAOYSA-N 1 0 308.179 3.298 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2ccc(C)nc2)c1O ZINC000759910991 621901299 /nfs/dbraw/zinc/90/12/99/621901299.db2.gz KWEMQPQJFAOYOZ-UHFFFAOYSA-N 1 0 316.376 3.462 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000760895849 621972528 /nfs/dbraw/zinc/97/25/28/621972528.db2.gz DTGUSLUEKRAXBG-MRXNPFEDSA-N 1 0 312.461 3.304 20 10 DGCDRO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(N(C)C)cc1 ZINC000760898983 621973083 /nfs/dbraw/zinc/97/30/83/621973083.db2.gz WFAWCDAZTXQCDO-AWEZNQCLSA-N 1 0 308.429 3.490 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](O)C(F)(F)F ZINC000865710964 621981297 /nfs/dbraw/zinc/98/12/97/621981297.db2.gz GJHVEWDBULEMNG-RYUDHWBXSA-N 1 0 311.731 3.083 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000865735790 621986103 /nfs/dbraw/zinc/98/61/03/621986103.db2.gz XXYKBSFYXDBGEE-QZTJIDSGSA-N 1 0 305.418 3.228 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c1O ZINC000865735339 621986121 /nfs/dbraw/zinc/98/61/21/621986121.db2.gz KMGGWXIYTKADJM-DOTOQJQBSA-N 1 0 305.418 3.228 20 10 DGCDRO Cc1ncsc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223827 621995635 /nfs/dbraw/zinc/99/56/35/621995635.db2.gz RURNIEPVKSRGOL-UHFFFAOYSA-N 1 0 305.447 3.028 20 10 DGCDRO CN(Cc1n[nH]c2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223823 621995776 /nfs/dbraw/zinc/99/57/76/621995776.db2.gz RPRDWEWLPVYGMR-UHFFFAOYSA-N 1 0 324.428 3.140 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCCn3nccc32)ccc1OC ZINC000865871785 622012121 /nfs/dbraw/zinc/01/21/21/622012121.db2.gz LQVVWAJIRZXQAY-MRXNPFEDSA-N 1 0 315.417 3.053 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000762612211 622086724 /nfs/dbraw/zinc/08/67/24/622086724.db2.gz CXCPGSFRCPLDJL-PMPSAXMXSA-N 1 0 308.516 3.222 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)CCC(=O)OC)cc1F ZINC000762786362 622098192 /nfs/dbraw/zinc/09/81/92/622098192.db2.gz MSKALLXRMJWKKM-UHFFFAOYSA-N 1 0 324.440 3.493 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000866463014 622122460 /nfs/dbraw/zinc/12/24/60/622122460.db2.gz GKOPXZNQQBBSNR-AMJWSMQMSA-N 1 0 317.351 3.233 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866465790 622122690 /nfs/dbraw/zinc/12/26/90/622122690.db2.gz VKIYWPRTXUYCPQ-BPNCWPANSA-N 1 0 304.356 3.105 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1ccccc1O ZINC000866464275 622122979 /nfs/dbraw/zinc/12/29/79/622122979.db2.gz VEEULWQXBIKOCU-UBHSHLNASA-N 1 0 305.340 3.381 20 10 DGCDRO COC(C)(C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000866503578 622128527 /nfs/dbraw/zinc/12/85/27/622128527.db2.gz URNTULLEGPDGNE-CQSZACIVSA-N 1 0 324.440 3.128 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000866512462 622130234 /nfs/dbraw/zinc/13/02/34/622130234.db2.gz KWNRVTUPUFCJBF-YEWDVWPNSA-N 1 0 305.418 3.257 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2c3ccccc3CN2C)c1 ZINC000866564361 622139579 /nfs/dbraw/zinc/13/95/79/622139579.db2.gz SYDVHRXLTBABPE-UGSOOPFHSA-N 1 0 312.413 3.238 20 10 DGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000866634209 622150782 /nfs/dbraw/zinc/15/07/82/622150782.db2.gz BYSATZOLZVAMKV-JFGNBEQYSA-N 1 0 316.239 3.355 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccc2c1CCOC2 ZINC000866659395 622153879 /nfs/dbraw/zinc/15/38/79/622153879.db2.gz LNHYNKMOFWWSFW-UHFFFAOYSA-N 1 0 308.425 3.171 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CC3(CC3)C(=O)O2)cc1 ZINC000763651602 622157306 /nfs/dbraw/zinc/15/73/06/622157306.db2.gz KOKGEZBYRMEHRG-KRWDZBQOSA-N 1 0 316.445 3.060 20 10 DGCDRO COc1cccc(O)c1C[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000764980128 622237275 /nfs/dbraw/zinc/23/72/75/622237275.db2.gz QFYOCTBJUIJKAU-KRWDZBQOSA-N 1 0 321.804 3.052 20 10 DGCDRO C[C@@H]([NH2+]C1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765146868 622249384 /nfs/dbraw/zinc/24/93/84/622249384.db2.gz RBAUAIUUPWRHED-CYBMUJFWSA-N 1 0 324.852 3.006 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000765248648 622253881 /nfs/dbraw/zinc/25/38/81/622253881.db2.gz AIKSKBNOPUSBRS-APWZRJJASA-N 1 0 318.461 3.133 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)c1 ZINC000765263633 622255372 /nfs/dbraw/zinc/25/53/72/622255372.db2.gz WGILFHOTBKVBBI-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(O)cc3)CC2)cc1 ZINC000765618820 622277529 /nfs/dbraw/zinc/27/75/29/622277529.db2.gz HDXZFPLYVLBQPY-UHFFFAOYSA-N 1 0 312.413 3.159 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCN2CCCCC2=O)cc1 ZINC000765844361 622290753 /nfs/dbraw/zinc/29/07/53/622290753.db2.gz FEVNIBHXYVOADQ-INIZCTEOSA-N 1 0 317.477 3.196 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1 ZINC000766090540 622305121 /nfs/dbraw/zinc/30/51/21/622305121.db2.gz VIMNBYAPDZRDIG-SJORKVTESA-N 1 0 307.434 3.473 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@H](OC)C3(C)C)CC2)cc1 ZINC000766526918 622336655 /nfs/dbraw/zinc/33/66/55/622336655.db2.gz FLGCZBVSIWQFRQ-ROUUACIJSA-N 1 0 318.461 3.067 20 10 DGCDRO CCCCCn1cc(C[NH2+]Cc2cccc(OC)c2O)c(C)n1 ZINC000767425472 622398073 /nfs/dbraw/zinc/39/80/73/622398073.db2.gz DNSVXYOUDVMVIL-UHFFFAOYSA-N 1 0 317.433 3.386 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CC3CCC2CC3)ccc1N1CCOCC1 ZINC000767931006 622428777 /nfs/dbraw/zinc/42/87/77/622428777.db2.gz ZSJSRPPFDMVFCJ-JFUPDXTOSA-N 1 0 318.436 3.331 20 10 DGCDRO CCOc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(O)c1 ZINC000768139451 622441545 /nfs/dbraw/zinc/44/15/45/622441545.db2.gz PJUVXCBDMCYZJY-UHFFFAOYSA-N 1 0 312.413 3.113 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCN(CCc3cccs3)CC2)c1 ZINC000768358421 622451913 /nfs/dbraw/zinc/45/19/13/622451913.db2.gz UPLLGRFIZNETJS-UHFFFAOYSA-N 1 0 316.470 3.122 20 10 DGCDRO COc1cc(C[N@H+](C)CCN(C)c2ccccc2)c(O)cc1C ZINC000768449208 622456886 /nfs/dbraw/zinc/45/68/86/622456886.db2.gz FJPDAYLPEPBGGU-UHFFFAOYSA-N 1 0 314.429 3.277 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC(c3cccnc3)CC2)c1O ZINC000768460128 622457574 /nfs/dbraw/zinc/45/75/74/622457574.db2.gz SFZOSKPIFHDVKW-UHFFFAOYSA-N 1 0 312.413 3.484 20 10 DGCDRO CC(C)CCC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768463653 622458038 /nfs/dbraw/zinc/45/80/38/622458038.db2.gz KXYWYNWPRYKXTJ-SFHVURJKSA-N 1 0 319.445 3.466 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1ccccc1 ZINC000768465609 622458348 /nfs/dbraw/zinc/45/83/48/622458348.db2.gz IVPKJZBORJKJBV-QHLBDZCJSA-N 1 0 311.381 3.011 20 10 DGCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2c(O)cccc2OC)o1 ZINC000768541301 622463334 /nfs/dbraw/zinc/46/33/34/622463334.db2.gz MSGHTUORWVEXII-OAHLLOKOSA-N 1 0 317.385 3.477 20 10 DGCDRO CCOc1ccc(O)c(CN2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000769188958 622506370 /nfs/dbraw/zinc/50/63/70/622506370.db2.gz UDZSEDVFEZFUEJ-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000769191933 622506842 /nfs/dbraw/zinc/50/68/42/622506842.db2.gz SHKALPHZEHYATF-UHFFFAOYSA-N 1 0 313.397 3.097 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1O ZINC000769191820 622506940 /nfs/dbraw/zinc/50/69/40/622506940.db2.gz OMTHZONUYXUUAC-UHFFFAOYSA-N 1 0 313.397 3.097 20 10 DGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000769224885 622508944 /nfs/dbraw/zinc/50/89/44/622508944.db2.gz ZXWJNWSBZKEYFD-GJZGRUSLSA-N 1 0 306.425 3.283 20 10 DGCDRO Oc1ccc(Cl)cc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000769233949 622509717 /nfs/dbraw/zinc/50/97/17/622509717.db2.gz RZQJATCEXZQPKA-INIZCTEOSA-N 1 0 308.853 3.496 20 10 DGCDRO COc1ccc2c(c1)CCC[N@@H+](Cc1c(O)cccc1OC)C2 ZINC000769331343 622517956 /nfs/dbraw/zinc/51/79/56/622517956.db2.gz FYFDIEUHHAHJSL-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO CCC[N@H+](Cc1cc(Br)ccc1O)CC(C)(C)O ZINC000769326241 622518270 /nfs/dbraw/zinc/51/82/70/622518270.db2.gz GMEFLBNIRXMQFO-UHFFFAOYSA-N 1 0 316.239 3.138 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1F ZINC000769450177 622528488 /nfs/dbraw/zinc/52/84/88/622528488.db2.gz BNBMONLTGRYSIF-ZBFHGGJFSA-N 1 0 308.441 3.407 20 10 DGCDRO CCC[N@H+](Cc1c(O)cccc1OC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000769470249 622530614 /nfs/dbraw/zinc/53/06/14/622530614.db2.gz JPDLVTXSNZHWRT-FSPWUOQZSA-N 1 0 319.445 3.426 20 10 DGCDRO CCOc1ccc(O)c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000769478958 622531951 /nfs/dbraw/zinc/53/19/51/622531951.db2.gz GBVGEBYMWBQSCD-UHFFFAOYSA-N 1 0 323.396 3.267 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1F ZINC000769485725 622533021 /nfs/dbraw/zinc/53/30/21/622533021.db2.gz OIMUSOMICOOTET-SFHVURJKSA-N 1 0 306.425 3.284 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)c(O)c1 ZINC000769492301 622533458 /nfs/dbraw/zinc/53/34/58/622533458.db2.gz IXJLEBJOSWAJNC-UHFFFAOYSA-N 1 0 305.418 3.326 20 10 DGCDRO CC[C@]1(C)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769519061 622537106 /nfs/dbraw/zinc/53/71/06/622537106.db2.gz IGFYAESYLFGDJX-GOSISDBHSA-N 1 0 306.425 3.284 20 10 DGCDRO CCOc1ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c(O)c1 ZINC000769537640 622538992 /nfs/dbraw/zinc/53/89/92/622538992.db2.gz NQBAWICBCQPFKQ-INIZCTEOSA-N 1 0 315.417 3.034 20 10 DGCDRO CN(C)c1ccc(C[N@H+](CCO[C@H]2CCCCO2)C2CC2)cc1 ZINC000769708140 622551707 /nfs/dbraw/zinc/55/17/07/622551707.db2.gz KYONIWGXXSGWQI-IBGZPJMESA-N 1 0 318.461 3.260 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(O)c1 ZINC000770319683 622620850 /nfs/dbraw/zinc/62/08/50/622620850.db2.gz AMDIVHWPQDWJTC-WMLDXEAASA-N 1 0 315.417 3.071 20 10 DGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000770510156 622640187 /nfs/dbraw/zinc/64/01/87/622640187.db2.gz ZPFZQIWZHNSDJD-IBGZPJMESA-N 1 0 310.441 3.489 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000770665525 622658732 /nfs/dbraw/zinc/65/87/32/622658732.db2.gz MDHCZGKHUQLUOF-UHFFFAOYSA-N 1 0 316.445 3.110 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCCOC1 ZINC000872083642 622795411 /nfs/dbraw/zinc/79/54/11/622795411.db2.gz CTPWDODFAMABKL-GJYPPUQNSA-N 1 0 318.461 3.069 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCCOC1 ZINC000872083643 622795620 /nfs/dbraw/zinc/79/56/20/622795620.db2.gz CTPWDODFAMABKL-MDZRGWNJSA-N 1 0 318.461 3.069 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)cc1 ZINC000872117358 622817808 /nfs/dbraw/zinc/81/78/08/622817808.db2.gz OUDXMRKTYUWDKI-ZBFHGGJFSA-N 1 0 304.434 3.137 20 10 DGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126983 622822462 /nfs/dbraw/zinc/82/24/62/622822462.db2.gz QQAGPSZETZRFDS-LNLFQRSKSA-N 1 0 311.425 3.427 20 10 DGCDRO Oc1c(C[N@@H+]2CCO[C@H](C(F)F)CC2)ccc2ccccc21 ZINC000872257048 622869051 /nfs/dbraw/zinc/86/90/51/622869051.db2.gz JONQIJPFLDKYJI-HNNXBMFYSA-N 1 0 307.340 3.401 20 10 DGCDRO Oc1c(C[N@@H+]2CCO[C@@H](C(F)F)CC2)ccc2ccccc21 ZINC000872257049 622869683 /nfs/dbraw/zinc/86/96/83/622869683.db2.gz JONQIJPFLDKYJI-OAHLLOKOSA-N 1 0 307.340 3.401 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1O ZINC000872257490 622870235 /nfs/dbraw/zinc/87/02/35/622870235.db2.gz RWFGFTOCBAZYPF-GFCCVEGCSA-N 1 0 305.752 3.210 20 10 DGCDRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)ccc1N1CCCCC1 ZINC000872320483 622890689 /nfs/dbraw/zinc/89/06/89/622890689.db2.gz YRNAKAVTYCBLNX-HDICACEKSA-N 1 0 300.446 3.064 20 10 DGCDRO CCn1nc(C)c(C[N@H+](C)Cc2cc(OC)c(C)cc2O)c1C ZINC000872630669 622945559 /nfs/dbraw/zinc/94/55/59/622945559.db2.gz ACPSBJSGVDYJBS-UHFFFAOYSA-N 1 0 317.433 3.174 20 10 DGCDRO CC1([NH+]2CCCC2)CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000872645469 622947002 /nfs/dbraw/zinc/94/70/02/622947002.db2.gz PVEFFAFJTJGMQB-UHFFFAOYSA-N 1 0 314.473 3.331 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000773080756 622979177 /nfs/dbraw/zinc/97/91/77/622979177.db2.gz NCESALLWRYLRBC-NVXWUHKLSA-N 1 0 318.461 3.131 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1)CCC2 ZINC000872814674 622983789 /nfs/dbraw/zinc/98/37/89/622983789.db2.gz SYPXLAARROOHTM-HNNXBMFYSA-N 1 0 315.335 3.034 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1C ZINC000872813603 622984047 /nfs/dbraw/zinc/98/40/47/622984047.db2.gz LSJDXCBGOQWILE-CQSZACIVSA-N 1 0 303.324 3.162 20 10 DGCDRO CCCOc1ccc(C[NH2+]Cc2cccc(C(N)=O)c2)cc1C ZINC000873009464 623016599 /nfs/dbraw/zinc/01/65/99/623016599.db2.gz ZOHDVEOTQJOGOG-UHFFFAOYSA-N 1 0 312.413 3.173 20 10 DGCDRO CCCOc1ccc(C[NH2+]C2CCN(C(=O)OC)CC2)cc1C ZINC000873022477 623019839 /nfs/dbraw/zinc/01/98/39/623019839.db2.gz NQSWQYGIQUNMSM-UHFFFAOYSA-N 1 0 320.433 3.104 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)CO[C@@H]2CCOC2)cc1C ZINC000873074266 623031004 /nfs/dbraw/zinc/03/10/04/623031004.db2.gz KSICRADSPSCWDT-NVXWUHKLSA-N 1 0 307.434 3.067 20 10 DGCDRO COc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1Cn1cccn1 ZINC000873133046 623044937 /nfs/dbraw/zinc/04/49/37/623044937.db2.gz MVJIFKGNVKIYJE-UHFFFAOYSA-N 1 0 311.429 3.362 20 10 DGCDRO COc1ccc(C[NH2+][C@]23C[C@H]2CCCC3)cc1Cn1cccn1 ZINC000873150775 623050473 /nfs/dbraw/zinc/05/04/73/623050473.db2.gz QFEPCHKXSCETPA-IEBWSBKVSA-N 1 0 311.429 3.362 20 10 DGCDRO C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000873235255 623085478 /nfs/dbraw/zinc/08/54/78/623085478.db2.gz MXXLIQPANHCAPB-DOMZBBRYSA-N 1 0 320.383 3.281 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCC(C)CC1 ZINC000774483380 623151068 /nfs/dbraw/zinc/15/10/68/623151068.db2.gz KEFFLRHSIQTKHT-HZPDHXFCSA-N 1 0 317.477 3.050 20 10 DGCDRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482083 623151532 /nfs/dbraw/zinc/15/15/32/623151532.db2.gz FOPLVHYOOLXXOX-KBPBESRZSA-N 1 0 305.466 3.097 20 10 DGCDRO CCO[C@H](C[NH2+]Cc1c(O)cccc1OC)c1ccccc1 ZINC000775029214 623218197 /nfs/dbraw/zinc/21/81/97/623218197.db2.gz XXGLQVBRJLKIBK-GOSISDBHSA-N 1 0 301.386 3.268 20 10 DGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)Cc1cccc(OC)n1 ZINC000775140097 623234804 /nfs/dbraw/zinc/23/48/04/623234804.db2.gz HZFOHSMFDUPWRQ-OAHLLOKOSA-N 1 0 313.445 3.397 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000775143839 623234876 /nfs/dbraw/zinc/23/48/76/623234876.db2.gz CDRXSVDZGRJDNT-RNCFNFMXSA-N 1 0 323.742 3.181 20 10 DGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775488553 623280169 /nfs/dbraw/zinc/28/01/69/623280169.db2.gz IXKGPXXSJCDUEZ-BXUZGUMPSA-N 1 0 312.841 3.391 20 10 DGCDRO CC[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775504479 623281434 /nfs/dbraw/zinc/28/14/34/623281434.db2.gz YJXOQAUKSBBOSM-WFASDCNBSA-N 1 0 313.825 3.139 20 10 DGCDRO CC[C@H]([NH2+][C@H](CCO)CSC)c1cc(Cl)ccc1O ZINC000775509694 623282234 /nfs/dbraw/zinc/28/22/34/623282234.db2.gz PCVUEAFJFDQAQZ-YPMHNXCESA-N 1 0 303.855 3.200 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C(=O)NC)c1cc(Cl)ccc1O ZINC000775524710 623284045 /nfs/dbraw/zinc/28/40/45/623284045.db2.gz GVFLPOKBEUGFIE-KWCYVHTRSA-N 1 0 310.825 3.001 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000775525319 623285247 /nfs/dbraw/zinc/28/52/47/623285247.db2.gz KKCYHLWVYUJOTR-ZYHUDNBSSA-N 1 0 311.731 3.400 20 10 DGCDRO COc1ccc(O)c(CN2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000775647929 623303434 /nfs/dbraw/zinc/30/34/34/623303434.db2.gz IAZIMGPCSUEMDQ-UHFFFAOYSA-N 1 0 318.461 3.099 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000775658218 623306338 /nfs/dbraw/zinc/30/63/38/623306338.db2.gz HNQWNJJTBRDONC-GOSISDBHSA-N 1 0 313.397 3.444 20 10 DGCDRO COCC[N@H+](CCc1ccccc1)Cc1cc(OC)ccc1O ZINC000775657175 623306543 /nfs/dbraw/zinc/30/65/43/623306543.db2.gz WZJUHHVOGSNKCL-UHFFFAOYSA-N 1 0 315.413 3.092 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]2Cc2ccccc2)cc1OC ZINC000775724844 623319928 /nfs/dbraw/zinc/31/99/28/623319928.db2.gz LDNHOPQWPFQFKC-MRXNPFEDSA-N 1 0 313.397 3.226 20 10 DGCDRO Cc1cc(Br)cc(C[N@H+](C)Cc2ccc[nH]2)c1O ZINC000775733847 623320417 /nfs/dbraw/zinc/32/04/17/623320417.db2.gz JJFCAIVPHCLWMU-UHFFFAOYSA-N 1 0 309.207 3.423 20 10 DGCDRO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000776012678 623364809 /nfs/dbraw/zinc/36/48/09/623364809.db2.gz IPWVUHSOKOGNNH-MWLCHTKSSA-N 1 0 317.307 3.284 20 10 DGCDRO Cc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1N(C)C ZINC000776163453 623386255 /nfs/dbraw/zinc/38/62/55/623386255.db2.gz BKMZXOQMMFEQAI-KBAYOESNSA-N 1 0 300.446 3.108 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C)COc2ccccc2)c(O)c1 ZINC000776175411 623390303 /nfs/dbraw/zinc/39/03/03/623390303.db2.gz YYASGGYEHVVVFP-CQSZACIVSA-N 1 0 301.386 3.348 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](C)CCc2ccc(C)o2)cc1OC ZINC000776220421 623399514 /nfs/dbraw/zinc/39/95/14/623399514.db2.gz NGTHRBXNDQQJKJ-GFCCVEGCSA-N 1 0 319.401 3.422 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)ccc1OC ZINC000776498524 623435930 /nfs/dbraw/zinc/43/59/30/623435930.db2.gz NJECHLZOUFWXLY-XWIAVFTESA-N 1 0 321.461 3.381 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H](C4CC4)C3)c2c1 ZINC000776773658 623461667 /nfs/dbraw/zinc/46/16/67/623461667.db2.gz USESXCCVQSYXDP-LJQANCHMSA-N 1 0 313.397 3.165 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1O ZINC000776778948 623462624 /nfs/dbraw/zinc/46/26/24/623462624.db2.gz YWPQORAVVHDMJN-MRXNPFEDSA-N 1 0 305.418 3.100 20 10 DGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(C)c2O)C1 ZINC000777221380 623506679 /nfs/dbraw/zinc/50/66/79/623506679.db2.gz GTCYRHHVFNBXOG-HOCLYGCPSA-N 1 0 320.433 3.047 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000777223431 623507098 /nfs/dbraw/zinc/50/70/98/623507098.db2.gz YPFPFNFGFVBPGV-LJQANCHMSA-N 1 0 300.446 3.288 20 10 DGCDRO CC(C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000777301271 623510926 /nfs/dbraw/zinc/51/09/26/623510926.db2.gz IZBAEMUAFLVSSQ-INIZCTEOSA-N 1 0 321.465 3.316 20 10 DGCDRO COCC[N@H+](Cc1cc(OC)c(C)cc1O)[C@H]1CC[C@H](C)C1 ZINC000790477700 625657628 /nfs/dbraw/zinc/65/76/28/625657628.db2.gz HOOLZWRWPUVPHM-BBRMVZONSA-N 1 0 307.434 3.346 20 10 DGCDRO CCSc1cc(C[NH2+]Cc2c(O)cccc2OC)ccn1 ZINC000778210111 623626094 /nfs/dbraw/zinc/62/60/94/623626094.db2.gz ZBOJCUPRGNAAOF-UHFFFAOYSA-N 1 0 304.415 3.198 20 10 DGCDRO C[N@H+](Cc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876510075 623630251 /nfs/dbraw/zinc/63/02/51/623630251.db2.gz NXWWGGVJVUQISU-UHFFFAOYSA-N 1 0 310.441 3.280 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3CCCCCCC3)cc2)CC1 ZINC000876528476 623634478 /nfs/dbraw/zinc/63/44/78/623634478.db2.gz QPHLCXHAESVUHT-UHFFFAOYSA-N 1 0 302.462 3.414 20 10 DGCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876658287 623672015 /nfs/dbraw/zinc/67/20/15/623672015.db2.gz RRQAOKASFWLAEY-HZPDHXFCSA-N 1 0 318.461 3.217 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC4(CCC4)C3)cc2)CC1 ZINC000876742398 623694551 /nfs/dbraw/zinc/69/45/51/623694551.db2.gz OQNFZVWPBKTLBF-UHFFFAOYSA-N 1 0 300.446 3.024 20 10 DGCDRO OC1CCN(c2ccc(C[NH+](CC3CC3)CC3CC3)cc2)CC1 ZINC000876745131 623695579 /nfs/dbraw/zinc/69/55/79/623695579.db2.gz DULWJBQQGTWVNA-UHFFFAOYSA-N 1 0 314.473 3.270 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000876790473 623707191 /nfs/dbraw/zinc/70/71/91/623707191.db2.gz JAUNECZNXVMIKX-QGZVFWFLSA-N 1 0 319.445 3.251 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000876807470 623710900 /nfs/dbraw/zinc/71/09/00/623710900.db2.gz FASODUOLSUIYHP-WMLDXEAASA-N 1 0 301.386 3.382 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(O)c1 ZINC000876809184 623712022 /nfs/dbraw/zinc/71/20/22/623712022.db2.gz XEOYFNXIRGUXIR-NVXWUHKLSA-N 1 0 301.386 3.382 20 10 DGCDRO O=C(CC1CC[NH+](Cc2ccccc2O)CC1)NC1CCCC1 ZINC000778998927 623719075 /nfs/dbraw/zinc/71/90/75/623719075.db2.gz GCMVVNVCEONQMH-UHFFFAOYSA-N 1 0 316.445 3.053 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(Cl)ccc1O ZINC000779067358 623726458 /nfs/dbraw/zinc/72/64/58/623726458.db2.gz VZBNVDPYQWIEHB-TZMCWYRMSA-N 1 0 305.809 3.298 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1F ZINC000779165244 623737235 /nfs/dbraw/zinc/73/72/35/623737235.db2.gz FOBZKQQIVCBDJM-KRWDZBQOSA-N 1 0 308.441 3.407 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H](C(N)=O)C1 ZINC000779204455 623741856 /nfs/dbraw/zinc/74/18/56/623741856.db2.gz SNUXNQGTOZJVAE-KBXCAEBGSA-N 1 0 324.424 3.145 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(OC)s2)cc1 ZINC000876945291 623751250 /nfs/dbraw/zinc/75/12/50/623751250.db2.gz XMGUTEKATLYFKA-UHFFFAOYSA-N 1 0 305.447 3.288 20 10 DGCDRO c1cc(N2CCSCC2)ccc1C[NH2+]CC1CCSCC1 ZINC000876944087 623751393 /nfs/dbraw/zinc/75/13/93/623751393.db2.gz YBZXVHHTXQWIGQ-UHFFFAOYSA-N 1 0 322.543 3.473 20 10 DGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)sn1 ZINC000876987152 623760168 /nfs/dbraw/zinc/76/01/68/623760168.db2.gz QLZRQPVYKRGUMG-CQSZACIVSA-N 1 0 317.458 3.139 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)C1(C(=O)OC)CCC1 ZINC000779348019 623762076 /nfs/dbraw/zinc/76/20/76/623762076.db2.gz ORESHSGZLCQXGF-KRWDZBQOSA-N 1 0 318.461 3.273 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000779431987 623769398 /nfs/dbraw/zinc/76/93/98/623769398.db2.gz JEXYZKCQNBAFNV-YJBOKZPZSA-N 1 0 305.418 3.221 20 10 DGCDRO Cc1ccc(C[NH2+]CCc2nc3c(s2)CCCC3)c(O)c1 ZINC000877032290 623770510 /nfs/dbraw/zinc/77/05/10/623770510.db2.gz JGFMHNQRISFFIU-UHFFFAOYSA-N 1 0 302.443 3.368 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000877040051 623773786 /nfs/dbraw/zinc/77/37/86/623773786.db2.gz NIBDJNPZMOGTCS-LJQANCHMSA-N 1 0 315.413 3.311 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000877057973 623778788 /nfs/dbraw/zinc/77/87/88/623778788.db2.gz BSAGUXCPVQYNAD-OAHLLOKOSA-N 1 0 309.768 3.316 20 10 DGCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000779605718 623781360 /nfs/dbraw/zinc/78/13/60/623781360.db2.gz XSHUEDMCSBQUAR-OAHLLOKOSA-N 1 0 305.418 3.112 20 10 DGCDRO Cc1noc(C2CCC([NH2+]Cc3c(C)cccc3O)CC2)n1 ZINC000877076315 623785239 /nfs/dbraw/zinc/78/52/39/623785239.db2.gz KZFVDXSHMOAALM-UHFFFAOYSA-N 1 0 301.390 3.208 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000877128176 623798017 /nfs/dbraw/zinc/79/80/17/623798017.db2.gz DXGFTOVBCLNHPM-INIZCTEOSA-N 1 0 309.768 3.316 20 10 DGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877432303 623879200 /nfs/dbraw/zinc/87/92/00/623879200.db2.gz UEZXUJXOSXSRTJ-AWEZNQCLSA-N 1 0 320.433 3.047 20 10 DGCDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877460688 623893519 /nfs/dbraw/zinc/89/35/19/623893519.db2.gz SDRAIKNIWQGZRY-CQSZACIVSA-N 1 0 303.324 3.244 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](OC)C1CCOCC1 ZINC000877503162 623915357 /nfs/dbraw/zinc/91/53/57/623915357.db2.gz DBGBBLBVSPJUBF-LJQANCHMSA-N 1 0 321.461 3.436 20 10 DGCDRO CCOC1CC(C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000877520778 623922276 /nfs/dbraw/zinc/92/22/76/623922276.db2.gz HSYKIVJGZXMXKH-UHFFFAOYSA-N 1 0 314.223 3.059 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(Cl)c2N)c1 ZINC000877533019 623928894 /nfs/dbraw/zinc/92/88/94/623928894.db2.gz JPELXAXVRPZIOZ-SNVBAGLBSA-N 1 0 306.793 3.487 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000877533989 623928953 /nfs/dbraw/zinc/92/89/53/623928953.db2.gz YVHRSYUZPMTMBT-CQSZACIVSA-N 1 0 305.805 3.220 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)ccc2N(C)C)c1 ZINC000877534060 623929166 /nfs/dbraw/zinc/92/91/66/623929166.db2.gz WMWCYSRRAPNGPY-GFCCVEGCSA-N 1 0 318.392 3.457 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)c(O)c1 ZINC000877557105 623940009 /nfs/dbraw/zinc/94/00/09/623940009.db2.gz NJCJSVXKHPKHPY-CQSZACIVSA-N 1 0 322.449 3.484 20 10 DGCDRO CC(F)(F)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877557309 623940485 /nfs/dbraw/zinc/94/04/85/623940485.db2.gz KASKHTDAJJAHBZ-UHFFFAOYSA-N 1 0 312.404 3.173 20 10 DGCDRO Cc1cccc(O)c1C[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000877572207 623947608 /nfs/dbraw/zinc/94/76/08/623947608.db2.gz NOSCTOJMFJPZHT-LBPRGKRZSA-N 1 0 316.367 3.017 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000877602945 623957949 /nfs/dbraw/zinc/95/79/49/623957949.db2.gz AJSYMOAWVCFUGJ-KBPBESRZSA-N 1 0 322.449 3.482 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC34CCCC4)cc2)CC1 ZINC000877609911 623961362 /nfs/dbraw/zinc/96/13/62/623961362.db2.gz OBPRKWVUAJZVAW-UHFFFAOYSA-N 1 0 300.446 3.166 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CCCOC1 ZINC000780713250 623971285 /nfs/dbraw/zinc/97/12/85/623971285.db2.gz BJTIOAKPKQXCDL-WBVHZDCISA-N 1 0 320.502 3.145 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)cc2)CC1 ZINC000877637553 623972538 /nfs/dbraw/zinc/97/25/38/623972538.db2.gz WECCKGMDJKKRES-FGTMMUONSA-N 1 0 314.473 3.174 20 10 DGCDRO CC(C)CC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877638430 623973750 /nfs/dbraw/zinc/97/37/50/623973750.db2.gz GOJQTJOQDQEOAE-UHFFFAOYSA-N 1 0 302.462 3.316 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000877641480 623974596 /nfs/dbraw/zinc/97/45/96/623974596.db2.gz VSBBVEGHGHZQAQ-CYBMUJFWSA-N 1 0 308.422 3.046 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645484 623976680 /nfs/dbraw/zinc/97/66/80/623976680.db2.gz MQCGAFFEJDGMBY-CQSZACIVSA-N 1 0 318.804 3.232 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000790749128 625692106 /nfs/dbraw/zinc/69/21/06/625692106.db2.gz CUOZHEIQSXJFHJ-LBPRGKRZSA-N 1 0 312.404 3.443 20 10 DGCDRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000780791964 623985852 /nfs/dbraw/zinc/98/58/52/623985852.db2.gz DMDWHDPCIYZJJD-GXSJLCMTSA-N 1 0 317.307 3.284 20 10 DGCDRO CC1([NH+]2CCCC2)CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000877674532 623988029 /nfs/dbraw/zinc/98/80/29/623988029.db2.gz RJCCEHBHUXMLQN-UHFFFAOYSA-N 1 0 308.853 3.496 20 10 DGCDRO COCCOCc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877702909 623998417 /nfs/dbraw/zinc/99/84/17/623998417.db2.gz JLNQPTOYBUVXST-UHFFFAOYSA-N 1 0 313.397 3.071 20 10 DGCDRO CC(C)(C)OC(=O)NCC(C)(C)C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703253 623998847 /nfs/dbraw/zinc/99/88/47/623998847.db2.gz YHGUTWVUQHZDEJ-UHFFFAOYSA-N 1 0 320.433 3.259 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C[C@@H]1C ZINC000877755513 624021698 /nfs/dbraw/zinc/02/16/98/624021698.db2.gz CZOWFVNGMCHQJQ-GBJTYRQASA-N 1 0 305.418 3.411 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)cc1C ZINC000877762943 624026905 /nfs/dbraw/zinc/02/69/05/624026905.db2.gz UIEZRFKUEWKADN-SFHVURJKSA-N 1 0 323.440 3.389 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c1 ZINC000877814150 624045781 /nfs/dbraw/zinc/04/57/81/624045781.db2.gz UNHFQFIPEGOPNY-LBPRGKRZSA-N 1 0 304.415 3.155 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](O)c1ccccc1 ZINC000877832176 624061780 /nfs/dbraw/zinc/06/17/80/624061780.db2.gz HLBYRNAPMJARMY-SJLPKXTDSA-N 1 0 301.386 3.003 20 10 DGCDRO COc1cc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c(O)cc1C ZINC000782291370 624233574 /nfs/dbraw/zinc/23/35/74/624233574.db2.gz VDOOMKANCOSYJI-AWEZNQCLSA-N 1 0 313.397 3.492 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c(O)cc1C ZINC000782292126 624234467 /nfs/dbraw/zinc/23/44/67/624234467.db2.gz VTRPCUTUCHOINM-INIZCTEOSA-N 1 0 312.413 3.169 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c(O)cc1C ZINC000782292127 624234554 /nfs/dbraw/zinc/23/45/54/624234554.db2.gz VTRPCUTUCHOINM-MRXNPFEDSA-N 1 0 312.413 3.169 20 10 DGCDRO CC[C@H]([NH2+]CC1(O)CCC1)c1cc(Br)ccc1O ZINC000127354044 624363193 /nfs/dbraw/zinc/36/31/93/624363193.db2.gz UCUSKPYCAPVJPW-LBPRGKRZSA-N 1 0 314.223 3.110 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)[C@@H](C)O1 ZINC000783539838 624363452 /nfs/dbraw/zinc/36/34/52/624363452.db2.gz DCEOFHVRXLQKBS-FRRDWIJNSA-N 1 0 307.434 3.393 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC=C(c3cnn(C)c3)C2)ccc1N(C)C ZINC000878908527 624386181 /nfs/dbraw/zinc/38/61/81/624386181.db2.gz OEXMRJISXLPKOU-UHFFFAOYSA-N 1 0 310.445 3.084 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CCOC)Cc2ccco2)c1 ZINC000784625935 624560178 /nfs/dbraw/zinc/56/01/78/624560178.db2.gz QPELHOZNYFHNJY-OAHLLOKOSA-N 1 0 319.401 3.121 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000784624765 624560230 /nfs/dbraw/zinc/56/02/30/624560230.db2.gz HGWBSUZHDBCKJT-HNNXBMFYSA-N 1 0 320.408 3.222 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](CCOC)Cc2ccco2)c(O)c1 ZINC000784626294 624561779 /nfs/dbraw/zinc/56/17/79/624561779.db2.gz YNYSRIBOJVSOOP-HNNXBMFYSA-N 1 0 319.401 3.121 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000879647890 624621259 /nfs/dbraw/zinc/62/12/59/624621259.db2.gz PITCEMCBUKOSQC-FQLMCAECSA-N 1 0 304.434 3.126 20 10 DGCDRO CCN(CCC[NH2+][C@H](C)c1ccccc1O)CC(F)(F)F ZINC000879649407 624622654 /nfs/dbraw/zinc/62/26/54/624622654.db2.gz QWZPZTHYIUPHJO-GFCCVEGCSA-N 1 0 304.356 3.317 20 10 DGCDRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879651888 624624759 /nfs/dbraw/zinc/62/47/59/624624759.db2.gz OHZWCBWDCADBMU-LSDHHAIUSA-N 1 0 312.413 3.056 20 10 DGCDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879652833 624626857 /nfs/dbraw/zinc/62/68/57/624626857.db2.gz ITBYCNKAXDQJPK-SOUVJXGZSA-N 1 0 304.434 3.222 20 10 DGCDRO Cn1cccc1C[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000128308674 624868107 /nfs/dbraw/zinc/86/81/07/624868107.db2.gz UXZQGJLECCUAGJ-UHFFFAOYSA-N 1 0 302.418 3.366 20 10 DGCDRO CCOc1ccc(C[NH2+]CCc2ccc(F)c(F)c2)c(O)c1 ZINC000786819304 624956208 /nfs/dbraw/zinc/95/62/08/624956208.db2.gz QSDVCTQPTKTCIZ-UHFFFAOYSA-N 1 0 307.340 3.401 20 10 DGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)[C@H]1C ZINC000787244140 624991401 /nfs/dbraw/zinc/99/14/01/624991401.db2.gz MNSXTHHSNBPRRV-DZGCQCFKSA-N 1 0 319.445 3.382 20 10 DGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000787769790 625048420 /nfs/dbraw/zinc/04/84/20/625048420.db2.gz IRMORZDEYCLYJR-IBGZPJMESA-N 1 0 311.425 3.471 20 10 DGCDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccnn1C ZINC000788257569 625105255 /nfs/dbraw/zinc/10/52/55/625105255.db2.gz AHHXEVZGESLKGL-SWLSCSKDSA-N 1 0 305.397 3.355 20 10 DGCDRO C[C@@H]([NH2+]CCc1cncn1C)c1ccc(N2CCCCC2)cc1 ZINC000788257782 625105639 /nfs/dbraw/zinc/10/56/39/625105639.db2.gz QIQZAIQBCFBNBC-MRXNPFEDSA-N 1 0 312.461 3.304 20 10 DGCDRO CC(C)OCC[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000788272861 625111118 /nfs/dbraw/zinc/11/11/18/625111118.db2.gz YZVLJIFDRGJIBR-GOSISDBHSA-N 1 0 321.461 3.313 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c(O)c1 ZINC000788505568 625200022 /nfs/dbraw/zinc/20/00/22/625200022.db2.gz HVQFURCPFSIEEY-ZDUSSCGKSA-N 1 0 313.401 3.350 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c(O)c1 ZINC000788509757 625203035 /nfs/dbraw/zinc/20/30/35/625203035.db2.gz ZRPNMYALFTVWBU-DLBZAZTESA-N 1 0 320.477 3.016 20 10 DGCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)ccn1 ZINC000788581924 625220123 /nfs/dbraw/zinc/22/01/23/625220123.db2.gz CHUXHXJDOOLSAA-LBPRGKRZSA-N 1 0 303.381 3.146 20 10 DGCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)ccn1 ZINC000788585882 625221576 /nfs/dbraw/zinc/22/15/76/625221576.db2.gz XGRVHMDHFSSYOC-CQSZACIVSA-N 1 0 311.429 3.323 20 10 DGCDRO CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790961960 625723276 /nfs/dbraw/zinc/72/32/76/625723276.db2.gz FTCQARUBTIVHIR-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO C[NH+](C)CCOc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000883011164 625896556 /nfs/dbraw/zinc/89/65/56/625896556.db2.gz MEDVXGZEKIWFCK-UHFFFAOYSA-N 1 0 322.355 3.223 20 10 DGCDRO O=c1oc2ccc(C[NH2+]CCCSc3nccs3)cc2o1 ZINC000883012781 625896784 /nfs/dbraw/zinc/89/67/84/625896784.db2.gz SPDSZAMKPRFCCM-UHFFFAOYSA-N 1 0 322.411 3.115 20 10 DGCDRO CSCC[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000130767480 625901916 /nfs/dbraw/zinc/90/19/16/625901916.db2.gz UOGZCXATGOPGEW-VIFPVBQESA-N 1 0 304.253 3.386 20 10 DGCDRO C[C@H](O)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC000883157497 625946427 /nfs/dbraw/zinc/94/64/27/625946427.db2.gz AEBYVXNUVURICO-VFZGTOFNSA-N 1 0 311.303 3.021 20 10 DGCDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796311237 626037417 /nfs/dbraw/zinc/03/74/17/626037417.db2.gz VYNCZXYAKJENPV-SJORKVTESA-N 1 0 324.468 3.356 20 10 DGCDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796343077 626040534 /nfs/dbraw/zinc/04/05/34/626040534.db2.gz PONFNXVEQKXDCD-IAGOWNOFSA-N 1 0 324.468 3.498 20 10 DGCDRO C[C@@H](O)CCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796359607 626042548 /nfs/dbraw/zinc/04/25/48/626042548.db2.gz MNDQIDOWMNKURN-QGZVFWFLSA-N 1 0 324.468 3.500 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@H](O)c2ccc(CC)cc2)c1O ZINC000796452806 626051931 /nfs/dbraw/zinc/05/19/31/626051931.db2.gz XVFLOSLQZSJMLH-KRWDZBQOSA-N 1 0 315.413 3.177 20 10 DGCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000796480079 626054852 /nfs/dbraw/zinc/05/48/52/626054852.db2.gz CAUCIFYFDBPWRW-AUUYWEPGSA-N 1 0 316.420 3.412 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cc(F)ccc1O ZINC000797130979 626116778 /nfs/dbraw/zinc/11/67/78/626116778.db2.gz CWRFVIHNFDSKAG-AMXDTQDGSA-N 1 0 321.417 3.261 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000797604749 626159213 /nfs/dbraw/zinc/15/92/13/626159213.db2.gz BWYOAEHFWPIDCF-UHFFFAOYSA-N 1 0 319.408 3.427 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000798003840 626188705 /nfs/dbraw/zinc/18/87/05/626188705.db2.gz IPZDPGPRTCEJIA-OALUTQOASA-N 1 0 300.446 3.442 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000798929840 626260353 /nfs/dbraw/zinc/26/03/53/626260353.db2.gz DFXWHWVGAKQBET-INIZCTEOSA-N 1 0 317.360 3.326 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)CC2CCCC2)c1 ZINC000798938078 626261492 /nfs/dbraw/zinc/26/14/92/626261492.db2.gz RKEGAPBQRUQVFW-DZGCQCFKSA-N 1 0 307.434 3.240 20 10 DGCDRO COc1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1C ZINC000799343905 626293150 /nfs/dbraw/zinc/29/31/50/626293150.db2.gz OYTZUJSSHJGLEV-HXUWFJFHSA-N 1 0 311.425 3.317 20 10 DGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C12CCC2 ZINC000799733212 626325864 /nfs/dbraw/zinc/32/58/64/626325864.db2.gz CHVRINIGLCUYKA-DLBZAZTESA-N 1 0 306.425 3.329 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)COC(C)C)CC2)cc1 ZINC000800231687 626343537 /nfs/dbraw/zinc/34/35/37/626343537.db2.gz GPHUQHOMTJYTPK-HNNXBMFYSA-N 1 0 306.450 3.067 20 10 DGCDRO COCCOCCCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808687549 626370472 /nfs/dbraw/zinc/37/04/72/626370472.db2.gz NCVAEIMAJPCDEZ-CYBMUJFWSA-N 1 0 315.841 3.448 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H](C)[S@@](C)=O)c1O ZINC000808706797 626372927 /nfs/dbraw/zinc/37/29/27/626372927.db2.gz VCDXELMWIKGAAT-RMDKCXRXSA-N 1 0 303.855 3.162 20 10 DGCDRO CCCC[N@H+](CCC(=O)N1CCCCC1)Cc1ccccc1O ZINC000801596506 626411401 /nfs/dbraw/zinc/41/14/01/626411401.db2.gz CFFVCBVSGZHJFD-UHFFFAOYSA-N 1 0 318.461 3.397 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC1CCCC1 ZINC000801596564 626411416 /nfs/dbraw/zinc/41/14/16/626411416.db2.gz FTBKXTMPFAFTGK-HNNXBMFYSA-N 1 0 318.461 3.442 20 10 DGCDRO CCCC[N@H+](CC(=O)N[C@@H](C)C(C)C)Cc1ccccc1O ZINC000801597494 626411668 /nfs/dbraw/zinc/41/16/68/626411668.db2.gz IIIIPLGXJMDNLA-HNNXBMFYSA-N 1 0 306.450 3.155 20 10 DGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(C)(C)C ZINC000801599237 626411864 /nfs/dbraw/zinc/41/18/64/626411864.db2.gz GPQQOWIUVPNLKG-AWEZNQCLSA-N 1 0 306.450 3.298 20 10 DGCDRO CCOc1cccc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000801732826 626416519 /nfs/dbraw/zinc/41/65/19/626416519.db2.gz YMWYVHYSPCQQFS-QDMKHBRRSA-N 1 0 307.434 3.474 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1O ZINC000802656921 626565383 /nfs/dbraw/zinc/56/53/83/626565383.db2.gz SCEWVUCFQQIFNH-GOSISDBHSA-N 1 0 301.361 3.472 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1C ZINC000883256214 626626290 /nfs/dbraw/zinc/62/62/90/626626290.db2.gz QQORXXIETLWVPM-QGZVFWFLSA-N 1 0 319.445 3.069 20 10 DGCDRO C=C/C=C\CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000883267565 626630384 /nfs/dbraw/zinc/63/03/84/626630384.db2.gz KFIFTNFXPCBDHC-XVWMLYKFSA-N 1 0 304.409 3.445 20 10 DGCDRO CC[C@H](NC1(c2ncccn2)CCC1)c1ccc(F)cc1O ZINC000883311513 626642331 /nfs/dbraw/zinc/64/23/31/626642331.db2.gz CGIFJZXFZGTPKP-AWEZNQCLSA-N 1 0 301.365 3.441 20 10 DGCDRO C[C@@]1(C[NH2+][C@H]2CCc3cccc(O)c32)OCCc2ccccc21 ZINC000883341691 626653831 /nfs/dbraw/zinc/65/38/31/626653831.db2.gz XRMBXODZHOHENJ-PXNSSMCTSA-N 1 0 309.409 3.457 20 10 DGCDRO Clc1ccc2c(n1)CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000806138082 626700969 /nfs/dbraw/zinc/70/09/69/626700969.db2.gz VPEMJEZCMVYMHX-AWEZNQCLSA-N 1 0 300.789 3.447 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1O ZINC000806180533 626704767 /nfs/dbraw/zinc/70/47/67/626704767.db2.gz OXVOEXWHIPLADR-OCCSQVGLSA-N 1 0 305.805 3.472 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Cl)ccc1O ZINC000806178048 626704779 /nfs/dbraw/zinc/70/47/79/626704779.db2.gz BOJVCXYMZDXXFO-BBRMVZONSA-N 1 0 320.820 3.257 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000840113628 626767264 /nfs/dbraw/zinc/76/72/64/626767264.db2.gz FRTHIOFOSXFAQI-BRWVUGGUSA-N 1 0 319.445 3.225 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000840120449 626772594 /nfs/dbraw/zinc/77/25/94/626772594.db2.gz LLUDUPCSLAMMKR-QGTPRVQTSA-N 1 0 312.413 3.066 20 10 DGCDRO CN1CC[C@@H]2C[N@H+](Cc3cc4oc5ccccc5c4cc3O)C[C@@H]21 ZINC000840131902 626808991 /nfs/dbraw/zinc/80/89/91/626808991.db2.gz FCDUKEZAQJXQMK-DYVFJYSZSA-N 1 0 322.408 3.428 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCc3cccc(OC)c3C2)c1O ZINC000840135099 626816973 /nfs/dbraw/zinc/81/69/73/626816973.db2.gz YINWNKPIHOFAFA-UHFFFAOYSA-N 1 0 313.397 3.276 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCC2(C)C)c1O ZINC000808421330 626822715 /nfs/dbraw/zinc/82/27/15/626822715.db2.gz CBHLPFOEQGJTQE-GFCCVEGCSA-N 1 0 314.223 3.442 20 10 DGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C12CCC2 ZINC000840138059 626826202 /nfs/dbraw/zinc/82/62/02/626826202.db2.gz CKOSAQLZHKUSFY-MSOLQXFVSA-N 1 0 312.413 3.330 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c(O)c1 ZINC000808452926 626826716 /nfs/dbraw/zinc/82/67/16/626826716.db2.gz VBVFYYZHWMNMQW-HNNXBMFYSA-N 1 0 317.360 3.023 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)c1O ZINC000808673015 626848317 /nfs/dbraw/zinc/84/83/17/626848317.db2.gz VTSBSQXPGFMNMB-LLVKDONJSA-N 1 0 318.804 3.304 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1O ZINC000808717178 626853069 /nfs/dbraw/zinc/85/30/69/626853069.db2.gz ATYFXBJVALOUQN-TZMCWYRMSA-N 1 0 320.820 3.176 20 10 DGCDRO COc1cc(C)cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1O ZINC000840143723 626857667 /nfs/dbraw/zinc/85/76/67/626857667.db2.gz XGMYWQQADWRJCG-JKSUJKDBSA-N 1 0 305.418 3.099 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c(O)cc1C ZINC000840146704 626865079 /nfs/dbraw/zinc/86/50/79/626865079.db2.gz ZRKZVPDOVXPTJY-QGZVFWFLSA-N 1 0 307.459 3.428 20 10 DGCDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1c(O)ccc2ccncc21 ZINC000840157232 626879713 /nfs/dbraw/zinc/87/97/13/626879713.db2.gz UFCOKQYZROTXIC-UHFFFAOYSA-N 1 0 324.428 3.332 20 10 DGCDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000135291283 626921762 /nfs/dbraw/zinc/92/17/62/626921762.db2.gz AMECULMFNIXDSG-OAHLLOKOSA-N 1 0 308.491 3.145 20 10 DGCDRO CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809578744 626922487 /nfs/dbraw/zinc/92/24/87/626922487.db2.gz PPYZZVOOGCJYMF-HXUWFJFHSA-N 1 0 322.452 3.470 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000809713401 626940001 /nfs/dbraw/zinc/94/00/01/626940001.db2.gz OYRNRAUJIJNWLI-UHFFFAOYSA-N 1 0 322.202 3.459 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2C)c1O ZINC000809740237 626944646 /nfs/dbraw/zinc/94/46/46/626944646.db2.gz QQCGACIGPNIVBK-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)cc1F ZINC000809743044 626945101 /nfs/dbraw/zinc/94/51/01/626945101.db2.gz JQCROTHRAVPVDX-CQSZACIVSA-N 1 0 322.346 3.075 20 10 DGCDRO CCOc1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)c(O)c1 ZINC000809746869 626945934 /nfs/dbraw/zinc/94/59/34/626945934.db2.gz CCLQUUMODNDJCR-QGZVFWFLSA-N 1 0 301.386 3.004 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCN(CC(F)F)CC2)c1O ZINC000809757520 626947333 /nfs/dbraw/zinc/94/73/33/626947333.db2.gz PJICILHQEBQMLV-UHFFFAOYSA-N 1 0 318.795 3.127 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c(O)c1 ZINC000809768625 626949843 /nfs/dbraw/zinc/94/98/43/626949843.db2.gz QTPVDXRMUXWRNT-MRXNPFEDSA-N 1 0 315.417 3.468 20 10 DGCDRO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000809779513 626951818 /nfs/dbraw/zinc/95/18/18/626951818.db2.gz PQOUNQZORCDWTI-ZDUSSCGKSA-N 1 0 309.768 3.050 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c1O ZINC000809793710 626954792 /nfs/dbraw/zinc/95/47/92/626954792.db2.gz LOYOBRHNJZGURU-NRFANRHFSA-N 1 0 323.845 3.381 20 10 DGCDRO CC[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OC ZINC000810176169 626984368 /nfs/dbraw/zinc/98/43/68/626984368.db2.gz JKHYIGFSCSEZPL-OAHLLOKOSA-N 1 0 321.421 3.100 20 10 DGCDRO CC[C@@H]([NH2+]CCn1ccnc1)c1ccc(C(F)(F)F)cc1O ZINC000810207394 626988278 /nfs/dbraw/zinc/98/82/78/626988278.db2.gz HSTOAVSLWYBBMZ-CYBMUJFWSA-N 1 0 313.323 3.348 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(C(F)(F)F)cc1O ZINC000810220906 626989286 /nfs/dbraw/zinc/98/92/86/626989286.db2.gz GTBKOPDSTQEWLE-GXFFZTMASA-N 1 0 305.340 3.470 20 10 DGCDRO CC[C@H]([NH2+]CC(C)(C)CO)c1ccc(C(F)(F)F)cc1O ZINC000810228040 626990176 /nfs/dbraw/zinc/99/01/76/626990176.db2.gz PVIXYPPFPJBYCS-LBPRGKRZSA-N 1 0 305.340 3.470 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](COC)OC)c1ccc(C(F)(F)F)cc1O ZINC000810236101 626991455 /nfs/dbraw/zinc/99/14/55/626991455.db2.gz YLQUPXZTWQQQKS-AAEUAGOBSA-N 1 0 321.339 3.113 20 10 DGCDRO Cc1nnc(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)s1 ZINC000810243366 626991953 /nfs/dbraw/zinc/99/19/53/626991953.db2.gz NQQPUMQTCQXDJR-GZMMTYOYSA-N 1 0 307.394 3.072 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cccnc2OC)cc1 ZINC000810260401 626994561 /nfs/dbraw/zinc/99/45/61/626994561.db2.gz KIMQKWKBPITXHL-OAHLLOKOSA-N 1 0 313.445 3.440 20 10 DGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1C[C@]12CCOC2 ZINC000885960109 627069892 /nfs/dbraw/zinc/06/98/92/627069892.db2.gz GXZWXGQZCYOAIF-MJGOQNOKSA-N 1 0 302.462 3.390 20 10 DGCDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000136825130 627103740 /nfs/dbraw/zinc/10/37/40/627103740.db2.gz KXVHPJKKOAEFOO-FUHWJXTLSA-N 1 0 302.462 3.270 20 10 DGCDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000886280361 627130398 /nfs/dbraw/zinc/13/03/98/627130398.db2.gz CSLQMHSXQPWMCU-BXIUTXANSA-N 1 0 314.473 3.029 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000886300764 627133365 /nfs/dbraw/zinc/13/33/65/627133365.db2.gz PBNWPYYQZUBTLG-QGZVFWFLSA-N 1 0 319.445 3.156 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1c([O-])cccc1F ZINC000886642055 627178559 /nfs/dbraw/zinc/17/85/59/627178559.db2.gz ZCGCVMSXEWYIKK-JOYOIKCWSA-N 1 0 317.286 3.182 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2F)c(O)c1 ZINC000886674669 627187097 /nfs/dbraw/zinc/18/70/97/627187097.db2.gz PCOWLWVUEZAESV-UKRRQHHQSA-N 1 0 303.377 3.094 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1)c1ccc(C)cc1O ZINC000886766889 627202028 /nfs/dbraw/zinc/20/20/28/627202028.db2.gz UEIAXASVZSZDGY-MRHSLFKSSA-N 1 0 319.445 3.468 20 10 DGCDRO CCN(CCC[NH2+]Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000222037516 627232927 /nfs/dbraw/zinc/23/29/27/627232927.db2.gz UCUJUGDGYWUOET-UHFFFAOYSA-N 1 0 308.422 3.129 20 10 DGCDRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000811477342 627279027 /nfs/dbraw/zinc/27/90/27/627279027.db2.gz NNIJSKZHKUHADN-HNNXBMFYSA-N 1 0 322.449 3.421 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)cc1C ZINC000811515072 627286095 /nfs/dbraw/zinc/28/60/95/627286095.db2.gz MCNUQQLLQDKVET-UHFFFAOYSA-N 1 0 320.433 3.060 20 10 DGCDRO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)cc1C ZINC000811777274 627320844 /nfs/dbraw/zinc/32/08/44/627320844.db2.gz IGVCSWNYWUGYPI-WBVHZDCISA-N 1 0 305.418 3.099 20 10 DGCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)c1 ZINC000811799557 627322577 /nfs/dbraw/zinc/32/25/77/627322577.db2.gz WUCPVIQXKGEYPC-GOSISDBHSA-N 1 0 311.429 3.223 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000812756677 627417625 /nfs/dbraw/zinc/41/76/25/627417625.db2.gz SBWIKYJJALXYST-UHFFFAOYSA-N 1 0 308.376 3.022 20 10 DGCDRO Cc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)ccc1N(C)C ZINC000815041852 627618067 /nfs/dbraw/zinc/61/80/67/627618067.db2.gz FHAADFILOYJAFG-SFHVURJKSA-N 1 0 301.478 3.121 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000815082535 627623983 /nfs/dbraw/zinc/62/39/83/627623983.db2.gz WSTGIJDLLDTJQJ-KYHPRHEASA-N 1 0 318.461 3.130 20 10 DGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815114012 627628368 /nfs/dbraw/zinc/62/83/68/627628368.db2.gz LQGAZTTZPBXMFI-UHFFFAOYSA-N 1 0 312.461 3.472 20 10 DGCDRO CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815560717 627684647 /nfs/dbraw/zinc/68/46/47/627684647.db2.gz NYFNUEYFTAZFIK-RYUDHWBXSA-N 1 0 316.367 3.403 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c(O)c1 ZINC000815566736 627685396 /nfs/dbraw/zinc/68/53/96/627685396.db2.gz DBMPKOBPLIOJMK-CVEARBPZSA-N 1 0 324.424 3.465 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)c(O)c1 ZINC000815589294 627688606 /nfs/dbraw/zinc/68/86/06/627688606.db2.gz OGVBZJYNMGSILV-GJZGRUSLSA-N 1 0 303.402 3.104 20 10 DGCDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816498752 627797500 /nfs/dbraw/zinc/79/75/00/627797500.db2.gz KMGXJXXNFSBBIJ-CQSZACIVSA-N 1 0 312.413 3.023 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000925803571 627797814 /nfs/dbraw/zinc/79/78/14/627797814.db2.gz RGZDDXORFROSGP-GRYCIOLGSA-N 1 0 316.367 3.307 20 10 DGCDRO CN(C)c1ncccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816534956 627803218 /nfs/dbraw/zinc/80/32/18/627803218.db2.gz AADNIBGRBOZSAI-UHFFFAOYSA-N 1 0 307.397 3.296 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1O)c1nnc2ccccn21 ZINC000816531257 627803335 /nfs/dbraw/zinc/80/33/35/627803335.db2.gz LLWGLIRMLGALGQ-CYBMUJFWSA-N 1 0 318.380 3.439 20 10 DGCDRO O=C(CC[NH2+]Cc1ccc2ccccc2c1O)Nc1ccccn1 ZINC000816541385 627803867 /nfs/dbraw/zinc/80/38/67/627803867.db2.gz LJJGPJQSMHMQQA-UHFFFAOYSA-N 1 0 321.380 3.059 20 10 DGCDRO OC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816554857 627806572 /nfs/dbraw/zinc/80/65/72/627806572.db2.gz LAOWWFUBTFULTG-SFHVURJKSA-N 1 0 307.393 3.411 20 10 DGCDRO C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816554814 627806751 /nfs/dbraw/zinc/80/67/51/627806751.db2.gz JRVSQAMWKUHYON-VXGBXAGGSA-N 1 0 300.805 3.147 20 10 DGCDRO CC(C)(C)[S@@](=O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816552617 627806757 /nfs/dbraw/zinc/80/67/57/627806757.db2.gz QYQMIUQXUNFCGC-NRFANRHFSA-N 1 0 305.443 3.182 20 10 DGCDRO OC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)Cc1ccco1 ZINC000816556145 627807157 /nfs/dbraw/zinc/80/71/57/627807157.db2.gz BBDRIBDCHPSBCZ-CQSZACIVSA-N 1 0 311.381 3.079 20 10 DGCDRO Oc1c(C[N@@H+]2CCCN(CC(F)F)CC2)ccc2ccccc21 ZINC000816611362 627814254 /nfs/dbraw/zinc/81/42/54/627814254.db2.gz NZMOHSHEIVLHFK-UHFFFAOYSA-N 1 0 320.383 3.318 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)(C)O ZINC000816652999 627820797 /nfs/dbraw/zinc/82/07/97/627820797.db2.gz BNPNLLJRSFSPKS-AWEZNQCLSA-N 1 0 318.383 3.411 20 10 DGCDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000816662544 627821421 /nfs/dbraw/zinc/82/14/21/627821421.db2.gz RJDQBQIOMSRVKJ-SFHVURJKSA-N 1 0 308.441 3.122 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC23CCSCC3)c1 ZINC000817411426 627895278 /nfs/dbraw/zinc/89/52/78/627895278.db2.gz RJIUDBAVBVPNIH-AWEZNQCLSA-N 1 0 307.459 3.414 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCCC2(O)CCC2)cc1F ZINC000817415018 627896732 /nfs/dbraw/zinc/89/67/32/627896732.db2.gz RCBHNAFQSZNHLY-UHFFFAOYSA-N 1 0 308.441 3.457 20 10 DGCDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2O)C1 ZINC000817415178 627897346 /nfs/dbraw/zinc/89/73/46/627897346.db2.gz TZLHNAHMRMEBQV-UKRRQHHQSA-N 1 0 305.418 3.192 20 10 DGCDRO Cc1nonc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000926597138 627920055 /nfs/dbraw/zinc/92/00/55/627920055.db2.gz USVWFJIKKTWJNR-STQMWFEESA-N 1 0 302.422 3.034 20 10 DGCDRO COC1([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCOCC1 ZINC000817589058 627927264 /nfs/dbraw/zinc/92/72/64/627927264.db2.gz SZFTUFLLJYPQOB-CABCVRRESA-N 1 0 307.434 3.244 20 10 DGCDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)CC1=O ZINC000817588456 627927399 /nfs/dbraw/zinc/92/73/99/627927399.db2.gz FTCFHXWGJRISDB-HZPDHXFCSA-N 1 0 317.477 3.052 20 10 DGCDRO CCCN1C[C@@H](C[NH2+][C@@H](CC)c2cc(Cl)ccc2O)CC1=O ZINC000817588160 627927624 /nfs/dbraw/zinc/92/76/24/627927624.db2.gz CJQJOYMHHUHWDT-DOMZBBRYSA-N 1 0 324.852 3.345 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cnccc2N)cc1F ZINC000817903340 627957018 /nfs/dbraw/zinc/95/70/18/627957018.db2.gz NPEJWSRMRJFGOL-CYBMUJFWSA-N 1 0 316.424 3.330 20 10 DGCDRO COc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817938361 627966866 /nfs/dbraw/zinc/96/68/66/627966866.db2.gz JKJVGUQYRRGWMK-KUHUBIRLSA-N 1 0 313.445 3.112 20 10 DGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(F)ccc1F ZINC000817938707 627967628 /nfs/dbraw/zinc/96/76/28/627967628.db2.gz QRYXASOMJKFDNM-KPZWWZAWSA-N 1 0 319.399 3.381 20 10 DGCDRO C[C@@H](Cc1cccs1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817939070 627967653 /nfs/dbraw/zinc/96/76/53/627967653.db2.gz YLZMUOQPXMPCND-GUYCJALGSA-N 1 0 303.475 3.035 20 10 DGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1Cl ZINC000817941937 627968365 /nfs/dbraw/zinc/96/83/65/627968365.db2.gz LUNGQRWIAAOAGU-LRDDRELGSA-N 1 0 318.852 3.152 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C2CCc3ccccc3CC2)cc1 ZINC000817940716 627968916 /nfs/dbraw/zinc/96/89/16/627968916.db2.gz HJTCROYALJSPAM-NRFANRHFSA-N 1 0 323.484 3.290 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCc3ccccc3C2)cc1 ZINC000817944199 627970061 /nfs/dbraw/zinc/97/00/61/627970061.db2.gz YCPSLDQOALGBIK-CTNGQTDRSA-N 1 0 323.484 3.290 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000817948101 627971272 /nfs/dbraw/zinc/97/12/72/627971272.db2.gz VETXXUYJDWRKRF-WOPDTQHZSA-N 1 0 316.367 3.450 20 10 DGCDRO C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817955027 627973380 /nfs/dbraw/zinc/97/33/80/627973380.db2.gz OXGNEOSMQJDVDJ-VHSXEESVSA-N 1 0 303.233 3.349 20 10 DGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1N(C)C ZINC000817955756 627974277 /nfs/dbraw/zinc/97/42/77/627974277.db2.gz HARWAKVEOKWYRJ-CYBMUJFWSA-N 1 0 301.409 3.367 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817964484 627976942 /nfs/dbraw/zinc/97/69/42/627976942.db2.gz AGVVBOARGCIGBL-NEPJUHHUSA-N 1 0 303.233 3.477 20 10 DGCDRO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817964617 627977171 /nfs/dbraw/zinc/97/71/71/627977171.db2.gz FYUBIJKFICDHHT-LLVKDONJSA-N 1 0 316.367 3.451 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817969547 627978628 /nfs/dbraw/zinc/97/86/28/627978628.db2.gz WSGMVWNDQCZSCG-WDEREUQCSA-N 1 0 302.340 3.204 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968520 627978831 /nfs/dbraw/zinc/97/88/31/627978831.db2.gz KUVAJGRSBWXERF-VHSXEESVSA-N 1 0 303.233 3.492 20 10 DGCDRO C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817977920 627981478 /nfs/dbraw/zinc/98/14/78/627981478.db2.gz RLCBXDOUIJZAGX-PRJMDXOYSA-N 1 0 321.646 3.194 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817983920 627983151 /nfs/dbraw/zinc/98/31/51/627983151.db2.gz LSYJGMWPCIVLCX-NXEZZACHSA-N 1 0 303.233 3.492 20 10 DGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3ccccc3O)C2)n1 ZINC000927050912 628002917 /nfs/dbraw/zinc/00/29/17/628002917.db2.gz VSGSEMHXCOOTQY-JHJVBQTASA-N 1 0 301.390 3.325 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@H](OC)C3)C2)cc1 ZINC000818222428 628006246 /nfs/dbraw/zinc/00/62/46/628006246.db2.gz SQAJBBSEQZVDHL-GJYPPUQNSA-N 1 0 318.461 3.069 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000818222795 628006302 /nfs/dbraw/zinc/00/63/02/628006302.db2.gz VZKRNAGTOLHHCC-YYIAUSFCSA-N 1 0 318.461 3.067 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccnc3C)C2)cc1 ZINC000818221360 628006419 /nfs/dbraw/zinc/00/64/19/628006419.db2.gz RELBGDPMGHQFFG-MRXNPFEDSA-N 1 0 311.429 3.015 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3occc3C)C2)cc1 ZINC000818222964 628006668 /nfs/dbraw/zinc/00/66/68/628006668.db2.gz ZFWUBHOJXHGARP-HNNXBMFYSA-N 1 0 300.402 3.213 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(F)c3)C2)cc1 ZINC000818221394 628006674 /nfs/dbraw/zinc/00/66/74/628006674.db2.gz RTAHJJVACLBLEH-INIZCTEOSA-N 1 0 314.404 3.450 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc(C)s3)C2)cc1 ZINC000818222590 628006768 /nfs/dbraw/zinc/00/67/68/628006768.db2.gz YWWBUWBTCOISHT-CQSZACIVSA-N 1 0 317.458 3.076 20 10 DGCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCSc3nccs3)C[C@H]2C1 ZINC000818333436 628014310 /nfs/dbraw/zinc/01/43/10/628014310.db2.gz WJEKYDPEYOZBMP-KPWCQOOUSA-N 1 0 312.504 3.419 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccccn3)C2)cc1 ZINC000818342162 628015476 /nfs/dbraw/zinc/01/54/76/628015476.db2.gz MTNOLWYJYDTTHG-CVEARBPZSA-N 1 0 311.429 3.267 20 10 DGCDRO CCn1nc(C)c(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000818344512 628016229 /nfs/dbraw/zinc/01/62/29/628016229.db2.gz DSQFYTSNUFWNNX-GFCCVEGCSA-N 1 0 314.433 3.042 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000818941790 628063778 /nfs/dbraw/zinc/06/37/78/628063778.db2.gz RNAGDKQVYYJLGK-GOSISDBHSA-N 1 0 318.848 3.099 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc1F ZINC000819043066 628082648 /nfs/dbraw/zinc/08/26/48/628082648.db2.gz QQSIJPFGYXXQAY-LBPRGKRZSA-N 1 0 322.346 3.075 20 10 DGCDRO O[C@@H](CCc1ccccc1)C[NH2+]CCCSc1nccs1 ZINC000819062167 628085193 /nfs/dbraw/zinc/08/51/93/628085193.db2.gz BXKODBUKMJRCKR-HNNXBMFYSA-N 1 0 322.499 3.209 20 10 DGCDRO C[C@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)C3CC3)cc2Cl)C1 ZINC000819290787 628127969 /nfs/dbraw/zinc/12/79/69/628127969.db2.gz MHXMYVLCGQSGBV-UGSOOPFHSA-N 1 0 322.880 3.437 20 10 DGCDRO C[N@H+](C[C@H](O)CNc1ccc(Nc2ccccc2)cc1)C1CC1 ZINC000819396195 628147448 /nfs/dbraw/zinc/14/74/48/628147448.db2.gz ZLASPRKAKDYGJY-LJQANCHMSA-N 1 0 311.429 3.297 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)cc1OC ZINC000822498238 628458250 /nfs/dbraw/zinc/45/82/50/628458250.db2.gz WSXIQGNXQSXWSW-ROUUACIJSA-N 1 0 317.360 3.136 20 10 DGCDRO COc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1O ZINC000822529347 628462128 /nfs/dbraw/zinc/46/21/28/628462128.db2.gz DADFVFREKVMVPL-GOSISDBHSA-N 1 0 317.429 3.182 20 10 DGCDRO Cc1cnccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823667088 628585224 /nfs/dbraw/zinc/58/52/24/628585224.db2.gz YTTMIPDGUURIKH-UHFFFAOYSA-N 1 0 313.470 3.233 20 10 DGCDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823665845 628585353 /nfs/dbraw/zinc/58/53/53/628585353.db2.gz AWEJGEHDJQMMDD-CJNGLKHVSA-N 1 0 308.516 3.081 20 10 DGCDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823966408 628614682 /nfs/dbraw/zinc/61/46/82/628614682.db2.gz NKFUDALBSKJGSY-GOSISDBHSA-N 1 0 318.486 3.491 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCc3c(F)cccc31)OCO2 ZINC000824469014 628663339 /nfs/dbraw/zinc/66/33/39/628663339.db2.gz UXCVUEGEZKXOHI-HNNXBMFYSA-N 1 0 315.344 3.427 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000824483253 628664611 /nfs/dbraw/zinc/66/46/11/628664611.db2.gz KLRSMNUTYLPXDW-ZDUSSCGKSA-N 1 0 301.411 3.380 20 10 DGCDRO CCOC(=O)C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824484599 628665002 /nfs/dbraw/zinc/66/50/02/628665002.db2.gz NOFONKFVPCGSPZ-UHFFFAOYSA-N 1 0 311.809 3.129 20 10 DGCDRO Cc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824636836 628679119 /nfs/dbraw/zinc/67/91/19/628679119.db2.gz UHQMZMYDOUEEAK-HKUYNNGSSA-N 1 0 315.388 3.001 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)[C@@H](O)C(F)F ZINC000824635026 628679146 /nfs/dbraw/zinc/67/91/46/628679146.db2.gz DWYNPTPOGVZDRT-DZGCQCFKSA-N 1 0 318.383 3.166 20 10 DGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)o1 ZINC000824663098 628681664 /nfs/dbraw/zinc/68/16/64/628681664.db2.gz GAXORNGHXGPTTR-LBPRGKRZSA-N 1 0 321.808 3.425 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F ZINC000824696987 628684696 /nfs/dbraw/zinc/68/46/96/628684696.db2.gz WYIXCPIJYLYCLA-KVSKMBFKSA-N 1 0 320.452 3.407 20 10 DGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000824715521 628686472 /nfs/dbraw/zinc/68/64/72/628686472.db2.gz LDGNIECBXXPLRB-OAGGEKHMSA-N 1 0 309.837 3.479 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000824751453 628689572 /nfs/dbraw/zinc/68/95/72/628689572.db2.gz XJJXLWXLPCDEOP-KGLIPLIRSA-N 1 0 305.418 3.401 20 10 DGCDRO CCOc1ccc(C[NH2+]CCCc2ncccc2C)c(O)c1 ZINC000824783904 628693346 /nfs/dbraw/zinc/69/33/46/628693346.db2.gz WUVQOLJHWVNORP-UHFFFAOYSA-N 1 0 300.402 3.217 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1O ZINC000824892999 628703466 /nfs/dbraw/zinc/70/34/66/628703466.db2.gz IEAVGSIJWZBHDY-SJORKVTESA-N 1 0 301.430 3.482 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000824913258 628705654 /nfs/dbraw/zinc/70/56/54/628705654.db2.gz NBELEVOYHVTXDH-UKRRQHHQSA-N 1 0 313.850 3.060 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](C)O ZINC000824921294 628707061 /nfs/dbraw/zinc/70/70/61/628707061.db2.gz IMBIGHRKHQFONS-IINYFYTJSA-N 1 0 304.356 3.020 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](C)O ZINC000824921293 628707176 /nfs/dbraw/zinc/70/71/76/628707176.db2.gz IMBIGHRKHQFONS-HZMBPMFUSA-N 1 0 304.356 3.020 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825016325 628716410 /nfs/dbraw/zinc/71/64/10/628716410.db2.gz ATFLSYAIIHGHHT-BXKDBHETSA-N 1 0 307.781 3.046 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H](OC)C3CC3)CC2)cc1 ZINC000825099383 628727521 /nfs/dbraw/zinc/72/75/21/628727521.db2.gz YNOUWUOMGASPPX-KUHUBIRLSA-N 1 0 318.461 3.067 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1Cl ZINC000825108228 628728518 /nfs/dbraw/zinc/72/85/18/628728518.db2.gz QSYXCXFAKUAXMQ-CQSZACIVSA-N 1 0 305.809 3.255 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1O ZINC000825185693 628735667 /nfs/dbraw/zinc/73/56/67/628735667.db2.gz QKIAOMIBAIJJIV-UHFFFAOYSA-N 1 0 307.777 3.358 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)C2(O)CCCC2)cc1F ZINC000825232066 628740683 /nfs/dbraw/zinc/74/06/83/628740683.db2.gz NKEBUEPHKGHRMM-UHFFFAOYSA-N 1 0 308.441 3.313 20 10 DGCDRO OCCC[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000825338869 628751433 /nfs/dbraw/zinc/75/14/33/628751433.db2.gz WKMUTYZXXSBYRM-KRWDZBQOSA-N 1 0 302.462 3.271 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000825365113 628753823 /nfs/dbraw/zinc/75/38/23/628753823.db2.gz FSHLPLKNDPKQMH-GFCCVEGCSA-N 1 0 322.206 3.045 20 10 DGCDRO Cc1cc(O)c(C[NH2+]CCc2ccc(CO)cc2)cc1Cl ZINC000825406300 628758535 /nfs/dbraw/zinc/75/85/35/628758535.db2.gz RFTNTBDHPFYDDD-UHFFFAOYSA-N 1 0 305.805 3.179 20 10 DGCDRO CC[C@@]1(O)CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000825567582 628774217 /nfs/dbraw/zinc/77/42/17/628774217.db2.gz KEEYSSFALDRJMC-GOSISDBHSA-N 1 0 307.434 3.045 20 10 DGCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825939757 628812463 /nfs/dbraw/zinc/81/24/63/628812463.db2.gz GUWCXOVNZPNEBY-CQSZACIVSA-N 1 0 324.852 3.092 20 10 DGCDRO Cc1cnn([C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)c1 ZINC000825955726 628814802 /nfs/dbraw/zinc/81/48/02/628814802.db2.gz PVIBZEQVOUHBIO-AWEZNQCLSA-N 1 0 305.809 3.306 20 10 DGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc1 ZINC000826019838 628820992 /nfs/dbraw/zinc/82/09/92/628820992.db2.gz LGHMETRFWGFVPY-MAUKXSAKSA-N 1 0 319.493 3.111 20 10 DGCDRO COc1cc(C[NH+]2CC3(C2)CCCOC3)c(O)c(C(C)(C)C)c1 ZINC000826113575 628829588 /nfs/dbraw/zinc/82/95/88/628829588.db2.gz NGEPTOKLVQUXIB-UHFFFAOYSA-N 1 0 319.445 3.311 20 10 DGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000826123005 628830147 /nfs/dbraw/zinc/83/01/47/628830147.db2.gz BYWUGXNWWQUXEK-SNVBAGLBSA-N 1 0 314.223 3.202 20 10 DGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000826142649 628830812 /nfs/dbraw/zinc/83/08/12/628830812.db2.gz HFSNNTYEOBZOIR-GFCCVEGCSA-N 1 0 318.161 3.386 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c1O ZINC000826791650 628887916 /nfs/dbraw/zinc/88/79/16/628887916.db2.gz YWFUCXVGKMOPJN-CYBMUJFWSA-N 1 0 312.841 3.017 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000826838655 628893536 /nfs/dbraw/zinc/89/35/36/628893536.db2.gz KIXBLIVTUKWFMC-UHFFFAOYSA-N 1 0 324.350 3.160 20 10 DGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC000827006850 628912007 /nfs/dbraw/zinc/91/20/07/628912007.db2.gz VRLFRBUVTIJEQX-JOCQHMNTSA-N 1 0 314.223 3.120 20 10 DGCDRO COC[C@H]([NH2+]Cc1cc(F)ccc1O)c1cccc(OC)c1 ZINC000827011018 628912721 /nfs/dbraw/zinc/91/27/21/628912721.db2.gz DRRQPKFEMLDGMB-INIZCTEOSA-N 1 0 305.349 3.017 20 10 DGCDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000827283669 628945903 /nfs/dbraw/zinc/94/59/03/628945903.db2.gz RCCOIDZHAKYQNJ-PKOBYXMFSA-N 1 0 300.446 3.145 20 10 DGCDRO COC(=O)C1(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000827336139 628950846 /nfs/dbraw/zinc/95/08/46/628950846.db2.gz ANRBNVMKCAPDCL-UHFFFAOYSA-N 1 0 316.445 3.062 20 10 DGCDRO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000827525902 628967902 /nfs/dbraw/zinc/96/79/02/628967902.db2.gz CQMLVQOSPJVYHX-ZWKOTPCHSA-N 1 0 303.377 3.379 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000827539270 628969558 /nfs/dbraw/zinc/96/95/58/628969558.db2.gz ZZOGMANXJBRXSA-UHFFFAOYSA-N 1 0 317.429 3.182 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](OC)C2CCCC2)c1O ZINC000827608447 628976264 /nfs/dbraw/zinc/97/62/64/628976264.db2.gz NEVJLMOGJOBKRC-OAHLLOKOSA-N 1 0 313.825 3.349 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(c3ccon3)CC2)cc1F ZINC000827629281 628978073 /nfs/dbraw/zinc/97/80/73/628978073.db2.gz HDUFJQIWMXENSQ-UHFFFAOYSA-N 1 0 303.381 3.259 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+]CC2(CC(N)=O)CCCCC2)c1O ZINC000827752145 628988580 /nfs/dbraw/zinc/98/85/80/628988580.db2.gz ZIFQDWSVVUGESP-UHFFFAOYSA-N 1 0 324.852 3.270 20 10 DGCDRO O=C1CC[C@@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)CCN1 ZINC000827813693 628993874 /nfs/dbraw/zinc/99/38/74/628993874.db2.gz YLZJBMZKHHRIII-OAHLLOKOSA-N 1 0 316.445 3.053 20 10 DGCDRO CCOc1ccc(O)c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000827849630 628997318 /nfs/dbraw/zinc/99/73/18/628997318.db2.gz GJQDCVHKVDYJIL-KDURUIRLSA-N 1 0 317.429 3.184 20 10 DGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1O ZINC000828554957 629067210 /nfs/dbraw/zinc/06/72/10/629067210.db2.gz INVVUMKCAGJONS-HKUYNNGSSA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1N1CCCCC1 ZINC000831728308 629407187 /nfs/dbraw/zinc/40/71/87/629407187.db2.gz FXELKCSBXMKBOW-QUCCMNQESA-N 1 0 313.489 3.121 20 10 DGCDRO CCCCC[C@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274058 629458465 /nfs/dbraw/zinc/45/84/65/629458465.db2.gz RKOZZOLZTMLQRA-YJBOKZPZSA-N 1 0 319.493 3.475 20 10 DGCDRO CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000834487368 629716861 /nfs/dbraw/zinc/71/68/61/629716861.db2.gz BZKVDKZCWQZLLX-QZTJIDSGSA-N 1 0 310.441 3.142 20 10 DGCDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000834487370 629717226 /nfs/dbraw/zinc/71/72/26/629717226.db2.gz BZKVDKZCWQZLLX-ZWKOTPCHSA-N 1 0 310.441 3.142 20 10 DGCDRO O=C(CC1CCCCC1)NCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834645782 629746509 /nfs/dbraw/zinc/74/65/09/629746509.db2.gz MDKUFSRGXVMWKP-INIZCTEOSA-N 1 0 316.445 3.056 20 10 DGCDRO CC1CCC2(CC1)OC[C@@H](C[NH2+][C@H]1CCc3cccc(O)c31)O2 ZINC000834736934 629770584 /nfs/dbraw/zinc/77/05/84/629770584.db2.gz BSJXPDJKGZDKBZ-VTLRXDCVSA-N 1 0 317.429 3.291 20 10 DGCDRO C[S@@](=O)Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000834799242 629782214 /nfs/dbraw/zinc/78/22/14/629782214.db2.gz XQNAJHBXLRGSHV-KSFYIVLOSA-N 1 0 315.438 3.048 20 10 DGCDRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000834841577 629788537 /nfs/dbraw/zinc/78/85/37/629788537.db2.gz XHRDGKJQTUIUHR-GOEBONIOSA-N 1 0 324.440 3.128 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000834895634 629800139 /nfs/dbraw/zinc/80/01/39/629800139.db2.gz CKMCHVRHOYFPNP-KDOFPFPSSA-N 1 0 300.450 3.158 20 10 DGCDRO C[C@H]([NH2+]CCC1(CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000834895701 629800409 /nfs/dbraw/zinc/80/04/09/629800409.db2.gz CQTKVYDACORLCL-INIZCTEOSA-N 1 0 302.462 3.490 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000834895638 629800480 /nfs/dbraw/zinc/80/04/80/629800480.db2.gz CKMCHVRHOYFPNP-RDTXWAMCSA-N 1 0 300.450 3.158 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000834896765 629801050 /nfs/dbraw/zinc/80/10/50/629801050.db2.gz NOCJJTXWPZIOJB-RYUDHWBXSA-N 1 0 307.825 3.369 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc(F)ccc1O ZINC000834905959 629804969 /nfs/dbraw/zinc/80/49/69/629804969.db2.gz XBMOMMGZFANRPD-WPKBUWHJSA-N 1 0 316.376 3.497 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)c1 ZINC000834909610 629806229 /nfs/dbraw/zinc/80/62/29/629806229.db2.gz BAQLXFLADQIANZ-JSGCOSHPSA-N 1 0 313.401 3.082 20 10 DGCDRO C[C@@H]1C[C@@H]([N@H+](C)C/C=C\c2ccc(N(C)C)cc2)CCN1C ZINC000835026371 629827816 /nfs/dbraw/zinc/82/78/16/629827816.db2.gz RYKOAQRJASQUJP-VAQJZUQRSA-N 1 0 301.478 3.180 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000835029327 629828894 /nfs/dbraw/zinc/82/88/94/629828894.db2.gz WPBVOLOFWNDCDX-ARJAWSKDSA-N 1 0 310.445 3.369 20 10 DGCDRO CCC[N@H+](C)C[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027124 629829052 /nfs/dbraw/zinc/82/90/52/629829052.db2.gz BJQSDCNUTLPSRF-RURPWVQCSA-N 1 0 315.505 3.430 20 10 DGCDRO CN(C)c1ccc(/C=C/CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000835027276 629829087 /nfs/dbraw/zinc/82/90/87/629829087.db2.gz JSHNKVUUHKXCIM-ROUKRRSUSA-N 1 0 313.489 3.326 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)CCc2nccs2)cc1 ZINC000835028157 629829216 /nfs/dbraw/zinc/82/92/16/629829216.db2.gz JJXVXFFQSXHXSE-PLNGDYQASA-N 1 0 301.459 3.397 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000835033480 629829831 /nfs/dbraw/zinc/82/98/31/629829831.db2.gz UIZASSGXUUQCSG-RTLBZRNLSA-N 1 0 314.404 3.228 20 10 DGCDRO CCN(CC)C(=O)CCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035223 629830558 /nfs/dbraw/zinc/83/05/58/629830558.db2.gz IGRHSMMEYAWKDR-VQHVLOKHSA-N 1 0 317.477 3.004 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)c2cccc(F)c2)cc1 ZINC000835034356 629830744 /nfs/dbraw/zinc/83/07/44/629830744.db2.gz AHUATHUPHXMSNK-PHWHVTFISA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)c2ccccc2F)cc1 ZINC000835036971 629830967 /nfs/dbraw/zinc/83/09/67/629830967.db2.gz SPHLMOHAKBJCHV-SFFCAUCYSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CO)c2cccc(F)c2)cc1 ZINC000835038619 629831244 /nfs/dbraw/zinc/83/12/44/629831244.db2.gz BZTQTIZFAVOTBC-HMECNJMJSA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000835038906 629831308 /nfs/dbraw/zinc/83/13/08/629831308.db2.gz ZKEATWMGWUGNCX-DXPXIUTNSA-N 1 0 308.425 3.014 20 10 DGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C2 ZINC000835037691 629831582 /nfs/dbraw/zinc/83/15/82/629831582.db2.gz VSETZZLUFCWWEF-XDXAGZTOSA-N 1 0 322.456 3.011 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC000835040432 629831926 /nfs/dbraw/zinc/83/19/26/629831926.db2.gz PGPINKBEDKMDHT-SNAWJCMRSA-N 1 0 312.413 3.270 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCC(=O)Nc2ccccc2)cc1 ZINC000835040516 629832298 /nfs/dbraw/zinc/83/22/98/629832298.db2.gz QJURABQSWGAFMW-VOTSOKGWSA-N 1 0 323.440 3.384 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCN(c3ccccn3)C2)cc1 ZINC000835042831 629832681 /nfs/dbraw/zinc/83/26/81/629832681.db2.gz YGHWEXKNMSDNET-XFHJGTJQSA-N 1 0 322.456 3.029 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000835042969 629833197 /nfs/dbraw/zinc/83/31/97/629833197.db2.gz ZCXGBPKWVQBQJA-SOSXRFRVSA-N 1 0 312.457 3.313 20 10 DGCDRO CCN(C/C=C\c1ccc(N(C)C)cc1)C[C@H](O)C(F)(F)F ZINC000835046604 629834583 /nfs/dbraw/zinc/83/45/83/629834583.db2.gz TYQBYRFNKUOOLT-YVACAVLKSA-N 1 0 316.367 3.011 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC000835047203 629834928 /nfs/dbraw/zinc/83/49/28/629834928.db2.gz CXLKZOAJTHDQOR-DFOOEPSASA-N 1 0 324.468 3.349 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1 ZINC000835048964 629835318 /nfs/dbraw/zinc/83/53/18/629835318.db2.gz NTOXUEZEQHRXTD-LAQIPUCWSA-N 1 0 308.425 3.228 20 10 DGCDRO Cc1cccc(C[C@H](CO)[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC000835049373 629835882 /nfs/dbraw/zinc/83/58/82/629835882.db2.gz DIZPTYWAVZOOHS-DASIIQCKSA-N 1 0 324.468 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000835049017 629835890 /nfs/dbraw/zinc/83/58/90/629835890.db2.gz DLKVQZJVBHRLIL-UABKOXTMSA-N 1 0 300.446 3.268 20 10 DGCDRO COC(=O)CC1([NH2+]C/C=C/c2ccc(N(C)C)cc2)CCCC1 ZINC000835055215 629838664 /nfs/dbraw/zinc/83/86/64/629838664.db2.gz XCQLHEDTNKVRFZ-VOTSOKGWSA-N 1 0 316.445 3.231 20 10 DGCDRO C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@@H](C2CC2)O1 ZINC000835055027 629839064 /nfs/dbraw/zinc/83/90/64/629839064.db2.gz UZKGNEMOGQIEJA-FDVMBTMHSA-N 1 0 300.446 3.265 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c1O ZINC000835085969 629847628 /nfs/dbraw/zinc/84/76/28/629847628.db2.gz ADWVOYQVHJAYNT-GWCFXTLKSA-N 1 0 314.223 3.120 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1O ZINC000835085972 629847656 /nfs/dbraw/zinc/84/76/56/629847656.db2.gz ADWVOYQVHJAYNT-ZWNOBZJWSA-N 1 0 314.223 3.120 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@H]1C ZINC000840716841 630351422 /nfs/dbraw/zinc/35/14/22/630351422.db2.gz BWTGMDLXGUQUBC-BEVDRBHNSA-N 1 0 316.489 3.420 20 10 DGCDRO CC1(C)CC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840756837 630356150 /nfs/dbraw/zinc/35/61/50/630356150.db2.gz DBAHBFVQRJFYSM-HNNXBMFYSA-N 1 0 310.388 3.080 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cc(Br)ccc1O ZINC000840815962 630361932 /nfs/dbraw/zinc/36/19/32/630361932.db2.gz JFSWHTCPUSPGCN-ZJUUUORDSA-N 1 0 324.222 3.300 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(Br)cc1O ZINC000840817468 630362409 /nfs/dbraw/zinc/36/24/09/630362409.db2.gz TXABJUNBEIZNFE-ZJUUUORDSA-N 1 0 324.222 3.300 20 10 DGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000840822736 630362937 /nfs/dbraw/zinc/36/29/37/630362937.db2.gz VFTBAPHSEYATML-IUPBHXKESA-N 1 0 314.223 3.373 20 10 DGCDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000840835874 630364800 /nfs/dbraw/zinc/36/48/00/630364800.db2.gz RLZHMQMKMYXJRG-MNOVXSKESA-N 1 0 316.239 3.478 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000840854861 630367364 /nfs/dbraw/zinc/36/73/64/630367364.db2.gz HCVBOPBCJQBEMF-YCPHGPKFSA-N 1 0 306.475 3.068 20 10 DGCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H](O)C(C)C ZINC000840879827 630371243 /nfs/dbraw/zinc/37/12/43/630371243.db2.gz TXAMKNFNFIROGL-RTBURBONSA-N 1 0 320.477 3.049 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)c2cccnc2)c1 ZINC000840892065 630373582 /nfs/dbraw/zinc/37/35/82/630373582.db2.gz NDSVKFUGIMJRTL-CYBMUJFWSA-N 1 0 300.402 3.424 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000840893875 630373697 /nfs/dbraw/zinc/37/36/97/630373697.db2.gz NNWVPLKOMUJRQN-TWOQFEAHSA-N 1 0 315.505 3.064 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000840893519 630373784 /nfs/dbraw/zinc/37/37/84/630373784.db2.gz KHSBBZAMPSWITN-IXDOHACOSA-N 1 0 304.478 3.397 20 10 DGCDRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893337 630373789 /nfs/dbraw/zinc/37/37/89/630373789.db2.gz ITNQUYXYZCIIDQ-UONOGXRCSA-N 1 0 300.450 3.374 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)c2ccccc2)c(Cl)c1 ZINC000840903829 630375134 /nfs/dbraw/zinc/37/51/34/630375134.db2.gz QOFLBPIALBINBV-CQSZACIVSA-N 1 0 305.805 3.220 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000840909885 630376373 /nfs/dbraw/zinc/37/63/73/630376373.db2.gz AZFIWTBCRXQWOS-GFCCVEGCSA-N 1 0 305.809 3.457 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000840937662 630380625 /nfs/dbraw/zinc/38/06/25/630380625.db2.gz VSTACABXLUCFPK-PBHICJAKSA-N 1 0 302.418 3.256 20 10 DGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938094 630381266 /nfs/dbraw/zinc/38/12/66/630381266.db2.gz XKVPYKGALCNBBM-KRWDZBQOSA-N 1 0 316.445 3.391 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000840946072 630381745 /nfs/dbraw/zinc/38/17/45/630381745.db2.gz DZOYMFDQMNHWLS-QZTJIDSGSA-N 1 0 302.462 3.450 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2c3c(nn2C)CCCC3)c(Cl)c1 ZINC000840948279 630382895 /nfs/dbraw/zinc/38/28/95/630382895.db2.gz STNDGJXTGFVWAY-UHFFFAOYSA-N 1 0 319.836 3.256 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000840951153 630383720 /nfs/dbraw/zinc/38/37/20/630383720.db2.gz TXLOTSJGEOLQKX-YOEHRIQHSA-N 1 0 309.837 3.241 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)cc1OC ZINC000840954719 630384246 /nfs/dbraw/zinc/38/42/46/630384246.db2.gz MSQCGOCRZUKMCO-DZGCQCFKSA-N 1 0 305.418 3.325 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CS[C@H](C)C2)c1O ZINC000840959631 630386011 /nfs/dbraw/zinc/38/60/11/630386011.db2.gz XPWRUPDZAACGPB-BXKDBHETSA-N 1 0 316.264 3.447 20 10 DGCDRO CC[N@H+](Cc1occc1C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000840969699 630388677 /nfs/dbraw/zinc/38/86/77/630388677.db2.gz JOLWCAAOLZOYCV-UHFFFAOYSA-N 1 0 320.345 3.233 20 10 DGCDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000841033778 630399176 /nfs/dbraw/zinc/39/91/76/630399176.db2.gz BBJPMCOXNZXTRK-AWEZNQCLSA-N 1 0 314.429 3.049 20 10 DGCDRO CSc1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841041199 630400701 /nfs/dbraw/zinc/40/07/01/630400701.db2.gz BTVGJMUXMMZAST-SFHVURJKSA-N 1 0 315.486 3.264 20 10 DGCDRO CCOCc1cc(CN[C@H](C[NH3+])C2CCCCC2)ccc1OC ZINC000841039479 630400727 /nfs/dbraw/zinc/40/07/27/630400727.db2.gz QWJJLNDGTJTUCS-GOSISDBHSA-N 1 0 320.477 3.229 20 10 DGCDRO CC(C)c1ncc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841042115 630400764 /nfs/dbraw/zinc/40/07/64/630400764.db2.gz HWNORQVSCXFPGS-MRXNPFEDSA-N 1 0 318.490 3.122 20 10 DGCDRO C[C@H](C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000841046057 630401805 /nfs/dbraw/zinc/40/18/05/630401805.db2.gz VKGYTXBKICKYAK-JXFKEZNVSA-N 1 0 311.473 3.221 20 10 DGCDRO CC(C)c1cnc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841046107 630401879 /nfs/dbraw/zinc/40/18/79/630401879.db2.gz WFZJJHZRRUOXQB-HNNXBMFYSA-N 1 0 318.490 3.122 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841067314 630403680 /nfs/dbraw/zinc/40/36/80/630403680.db2.gz ASPKLALQUFOQGF-MRXNPFEDSA-N 1 0 302.805 3.022 20 10 DGCDRO C[C@@H](NC(=O)Nc1cccc(C[NH3+])c1)c1ccc(N(C)C)cc1 ZINC000841304162 630425941 /nfs/dbraw/zinc/42/59/41/630425941.db2.gz NDHGPBBSKBIJFC-CYBMUJFWSA-N 1 0 312.417 3.094 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000841326170 630429003 /nfs/dbraw/zinc/42/90/03/630429003.db2.gz UFPWVUPDGRIRPE-UHFFFAOYSA-N 1 0 313.401 3.295 20 10 DGCDRO C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(N(C)C)cc1 ZINC000841333636 630429256 /nfs/dbraw/zinc/42/92/56/630429256.db2.gz ZWSZHWWODDQJPO-CYBMUJFWSA-N 1 0 324.428 3.239 20 10 DGCDRO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841750438 630461647 /nfs/dbraw/zinc/46/16/47/630461647.db2.gz XGYZLVJOEJFRKT-IAQYHMDHSA-N 1 0 321.804 3.438 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O ZINC000841747690 630461921 /nfs/dbraw/zinc/46/19/21/630461921.db2.gz DIGIWJSDWCEGHI-ZYHUDNBSSA-N 1 0 310.825 3.096 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc2c(cc1O)CCCC2 ZINC000841766027 630463644 /nfs/dbraw/zinc/46/36/44/630463644.db2.gz XWNSYJWUKSTNOS-WFASDCNBSA-N 1 0 324.415 3.261 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1cc(Br)ccc1O)CC(C)C ZINC000841888050 630472916 /nfs/dbraw/zinc/47/29/16/630472916.db2.gz CVXFLGZSJRCZDK-CYBMUJFWSA-N 1 0 316.239 3.305 20 10 DGCDRO FC(F)CN1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000841893457 630474314 /nfs/dbraw/zinc/47/43/14/630474314.db2.gz FHTBQVHLTNELAR-MRXNPFEDSA-N 1 0 323.431 3.106 20 10 DGCDRO CO[C@@H](CC(C)C)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000842151528 630498590 /nfs/dbraw/zinc/49/85/90/630498590.db2.gz CAIRSNLPGXEIHU-MSOLQXFVSA-N 1 0 321.461 3.434 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)cc1C ZINC000842621967 630555042 /nfs/dbraw/zinc/55/50/42/630555042.db2.gz FNTQLKGWOMARRR-FQEVSTJZSA-N 1 0 311.425 3.275 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1O ZINC000842644917 630557738 /nfs/dbraw/zinc/55/77/38/630557738.db2.gz IXTGDNGTDAZLSE-CQSZACIVSA-N 1 0 305.418 3.243 20 10 DGCDRO COCC1(CC[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000842729624 630568753 /nfs/dbraw/zinc/56/87/53/630568753.db2.gz QJLSCCQTGOPPCE-UHFFFAOYSA-N 1 0 314.223 3.061 20 10 DGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(C)cc1O ZINC000842884386 630588941 /nfs/dbraw/zinc/58/89/41/630588941.db2.gz JAKKVTPLHHYNAP-HUUCEWRRSA-N 1 0 304.434 3.141 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842886663 630589625 /nfs/dbraw/zinc/58/96/25/630589625.db2.gz TVZINZWPAYUUST-YOEHRIQHSA-N 1 0 317.477 3.193 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842886658 630589670 /nfs/dbraw/zinc/58/96/70/630589670.db2.gz TVZINZWPAYUUST-WMLDXEAASA-N 1 0 317.477 3.193 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000842934734 630595470 /nfs/dbraw/zinc/59/54/70/630595470.db2.gz YSIDMZKPAQLEJG-ILXRZTDVSA-N 1 0 317.429 3.480 20 10 DGCDRO Cc1ccc(O)c(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1 ZINC000843052924 630609110 /nfs/dbraw/zinc/60/91/10/630609110.db2.gz OYMKUZRKUDRVIO-IBGZPJMESA-N 1 0 310.441 3.455 20 10 DGCDRO CCOc1cccc(CN2CCCc3cc(C[NH3+])ccc32)c1O ZINC000843057342 630609275 /nfs/dbraw/zinc/60/92/75/630609275.db2.gz HZUUKQYHQZALKT-UHFFFAOYSA-N 1 0 312.413 3.202 20 10 DGCDRO Cc1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1[N+](=O)[O-] ZINC000843057759 630609416 /nfs/dbraw/zinc/60/94/16/630609416.db2.gz UGSLGQZYCUSZDF-UHFFFAOYSA-N 1 0 311.385 3.315 20 10 DGCDRO COc1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1F ZINC000843057917 630610054 /nfs/dbraw/zinc/61/00/54/630610054.db2.gz YJJQUGCWUPRMKW-UHFFFAOYSA-N 1 0 300.377 3.246 20 10 DGCDRO Cn1cc(CN2CCCc3cc(C[NH3+])ccc32)c(C(C)(C)C)n1 ZINC000843057982 630610057 /nfs/dbraw/zinc/61/00/57/630610057.db2.gz JVDYCXLIJVBQAU-UHFFFAOYSA-N 1 0 312.461 3.129 20 10 DGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126297 630616536 /nfs/dbraw/zinc/61/65/36/630616536.db2.gz ICKNULNJBMIEQK-KBPBESRZSA-N 1 0 308.853 3.257 20 10 DGCDRO Cc1ccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1C ZINC000843351661 630648992 /nfs/dbraw/zinc/64/89/92/630648992.db2.gz WDRJGWZNZHAVJW-UHFFFAOYSA-N 1 0 323.440 3.153 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c(O)c1 ZINC000843432119 630658071 /nfs/dbraw/zinc/65/80/71/630658071.db2.gz QXZKBPOMTCIPJW-CQSZACIVSA-N 1 0 305.418 3.182 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)cc1C ZINC000843433269 630658159 /nfs/dbraw/zinc/65/81/59/630658159.db2.gz WAJVZNHVZRNJTJ-SFHVURJKSA-N 1 0 303.446 3.452 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CO1 ZINC000843432173 630658163 /nfs/dbraw/zinc/65/81/63/630658163.db2.gz IRVGHLPEKCGYSC-PBHICJAKSA-N 1 0 313.397 3.238 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c1 ZINC000843435896 630659037 /nfs/dbraw/zinc/65/90/37/630659037.db2.gz ZQQHQJUDNOQJFK-AWEZNQCLSA-N 1 0 305.418 3.324 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c(C)n1-c1ccccc1C ZINC000843505000 630663451 /nfs/dbraw/zinc/66/34/51/630663451.db2.gz SUYZHJBCJOXFKO-UONOGXRCSA-N 1 0 313.445 3.258 20 10 DGCDRO CO[C@H](C)c1nc(CN2CCCc3cc(C[NH3+])ccc32)cs1 ZINC000844218912 630712744 /nfs/dbraw/zinc/71/27/44/630712744.db2.gz FCOGURGQFNIHGF-GFCCVEGCSA-N 1 0 317.458 3.262 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000844399146 630724472 /nfs/dbraw/zinc/72/44/72/630724472.db2.gz HMEUNBZWOQNAPJ-LBPRGKRZSA-N 1 0 317.260 3.257 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc3c2CCC3)cc1 ZINC000844901743 630970755 /nfs/dbraw/zinc/97/07/55/630970755.db2.gz JTSXMHBMZIUBGG-HXUWFJFHSA-N 1 0 309.457 3.031 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2cccc(OC)n2)c1 ZINC000845972497 631204308 /nfs/dbraw/zinc/20/43/08/631204308.db2.gz QZQXSKOGOXFJRD-CHWSQXEVSA-N 1 0 316.401 3.086 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C(C)C)nc2C)c1 ZINC000845972672 631204324 /nfs/dbraw/zinc/20/43/24/631204324.db2.gz SKHWQVYDCBMCBY-CYBMUJFWSA-N 1 0 303.406 3.337 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2ccn(C(C)C)n2)c1 ZINC000845973092 631204344 /nfs/dbraw/zinc/20/43/44/631204344.db2.gz XAYNPNWYUCMRFI-KBPBESRZSA-N 1 0 317.433 3.460 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)cc1C ZINC000846017016 631206449 /nfs/dbraw/zinc/20/64/49/631206449.db2.gz LDJNKGBKRSUKEJ-FZKQIMNGSA-N 1 0 303.377 3.354 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)cc1OC ZINC000846035575 631207169 /nfs/dbraw/zinc/20/71/69/631207169.db2.gz HDWXSXFUSXQTEP-GJZGRUSLSA-N 1 0 317.788 3.204 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c1O ZINC000846034698 631207258 /nfs/dbraw/zinc/20/72/58/631207258.db2.gz BMZPQCRJGIPVOV-IFXJQAMLSA-N 1 0 315.413 3.177 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C2CC2)C2CCOCC2)c1 ZINC000846042769 631207882 /nfs/dbraw/zinc/20/78/82/631207882.db2.gz PIKOAFFOQASHNC-SFHVURJKSA-N 1 0 305.418 3.086 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@](C)(O)c1ccccc1 ZINC000846043059 631207919 /nfs/dbraw/zinc/20/79/19/631207919.db2.gz JIJFZTRUGODAHK-JXFKEZNVSA-N 1 0 312.457 3.447 20 10 DGCDRO CCOc1ccc(C[N@H+](Cc2cnn(CC)c2)C(C)C)c(O)c1 ZINC000846054799 631208273 /nfs/dbraw/zinc/20/82/73/631208273.db2.gz GHOQUGYYYCNDPA-UHFFFAOYSA-N 1 0 317.433 3.418 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000846057314 631208710 /nfs/dbraw/zinc/20/87/10/631208710.db2.gz GNVQFURSXKRTDJ-UHFFFAOYSA-N 1 0 307.777 3.440 20 10 DGCDRO COC(=O)c1cc(C[NH2+]Cc2cc(Cl)ccc2O)oc1C ZINC000846059027 631208850 /nfs/dbraw/zinc/20/88/50/631208850.db2.gz XGBBAHVKQADPCO-UHFFFAOYSA-N 1 0 309.749 3.023 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1 ZINC000846108423 631209991 /nfs/dbraw/zinc/20/99/91/631209991.db2.gz DGRMNDNVUNZKDL-LLVKDONJSA-N 1 0 304.217 3.464 20 10 DGCDRO COCc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846138270 631211329 /nfs/dbraw/zinc/21/13/29/631211329.db2.gz JFDXCCFVVSZIBY-ZDUSSCGKSA-N 1 0 301.386 3.398 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CCn2cnc3ccccc32)c1O ZINC000846142866 631211601 /nfs/dbraw/zinc/21/16/01/631211601.db2.gz WRKOHBAKRNBOBK-CYBMUJFWSA-N 1 0 311.385 3.101 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1O ZINC000846144346 631211808 /nfs/dbraw/zinc/21/18/08/631211808.db2.gz KMAYGKQSOMIXGC-MEDUHNTESA-N 1 0 307.415 3.021 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)c1O ZINC000846144360 631211908 /nfs/dbraw/zinc/21/19/08/631211908.db2.gz LWSGMHZQSHVURP-OLZOCXBDSA-N 1 0 301.386 3.305 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cn1 ZINC000846147067 631211979 /nfs/dbraw/zinc/21/19/79/631211979.db2.gz SGOOWUYEMYWILZ-CYBMUJFWSA-N 1 0 316.401 3.435 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1O ZINC000846145458 631212014 /nfs/dbraw/zinc/21/20/14/631212014.db2.gz FCUSBHYMGSAZRC-NSHDSACASA-N 1 0 302.330 3.160 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c1O ZINC000846147234 631212074 /nfs/dbraw/zinc/21/20/74/631212074.db2.gz UWOSZLRVQXSGGL-STQMWFEESA-N 1 0 301.386 3.388 20 10 DGCDRO COC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846150590 631212368 /nfs/dbraw/zinc/21/23/68/631212368.db2.gz JFJZVCOUUBLYTK-XJKSGUPXSA-N 1 0 301.386 3.439 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccco2)c1O ZINC000846151404 631212416 /nfs/dbraw/zinc/21/24/16/631212416.db2.gz XTDRSYGKEYJPLL-SGMGOOAPSA-N 1 0 305.374 3.157 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)c2sccc2C)c1O ZINC000846155230 631212568 /nfs/dbraw/zinc/21/25/68/631212568.db2.gz RXUCHGUSOZQZPY-DGCLKSJQSA-N 1 0 307.415 3.155 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)c1O ZINC000846154004 631212572 /nfs/dbraw/zinc/21/25/72/631212572.db2.gz IMIIJTLEYDOLRW-NHYWBVRUSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000846153197 631212615 /nfs/dbraw/zinc/21/26/15/631212615.db2.gz FXWQDKCAQBSRMO-JKDFXYPNSA-N 1 0 319.376 3.313 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)c1O ZINC000846158160 631212731 /nfs/dbraw/zinc/21/27/31/631212731.db2.gz UEOLTCAMNOIGOM-MNOVXSKESA-N 1 0 304.390 3.460 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCSCC(F)(F)F)c1O ZINC000846159886 631212750 /nfs/dbraw/zinc/21/27/50/631212750.db2.gz RVMYLTQTSGZVOX-VIFPVBQESA-N 1 0 309.353 3.347 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)c1O ZINC000846158162 631212775 /nfs/dbraw/zinc/21/27/75/631212775.db2.gz UEOLTCAMNOIGOM-WDEREUQCSA-N 1 0 304.390 3.460 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1O ZINC000846157461 631212789 /nfs/dbraw/zinc/21/27/89/631212789.db2.gz CDYYBCPZSQXPJQ-BHADISHBSA-N 1 0 303.402 3.009 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2OC)c1O ZINC000846164103 631212936 /nfs/dbraw/zinc/21/29/36/631212936.db2.gz MQAOFTAQKAMFFG-NWDGAFQWSA-N 1 0 302.374 3.216 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(F)ccc2OC)c1O ZINC000846165296 631213002 /nfs/dbraw/zinc/21/30/02/631213002.db2.gz VBWYWFWMRWTRKH-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)C2(O)CCCC2)c1O ZINC000846169780 631213183 /nfs/dbraw/zinc/21/31/83/631213183.db2.gz UCQJVTRKZMCVLY-CYBMUJFWSA-N 1 0 307.434 3.383 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1O ZINC000846169294 631213330 /nfs/dbraw/zinc/21/33/30/631213330.db2.gz GLBLCLDKBXFKFZ-GFCCVEGCSA-N 1 0 311.385 3.138 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](Cc2ccccc2)OC)c1O ZINC000846170991 631213467 /nfs/dbraw/zinc/21/34/67/631213467.db2.gz QELUIJLZQXRHIE-GOEBONIOSA-N 1 0 315.413 3.309 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)c2cccnc2)c1O ZINC000846171920 631213498 /nfs/dbraw/zinc/21/34/98/631213498.db2.gz JNXZIBJQHSWBRI-CYBMUJFWSA-N 1 0 300.402 3.424 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1cc(F)ccc1O ZINC000846181531 631213799 /nfs/dbraw/zinc/21/37/99/631213799.db2.gz ZSNPFQUZOGGCIL-ORAYPTAESA-N 1 0 315.388 3.058 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@](C)(O)c1ccccc1 ZINC000846186538 631214072 /nfs/dbraw/zinc/21/40/72/631214072.db2.gz GXHFRWCPCPPBRF-VEVIJQCQSA-N 1 0 303.377 3.478 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846207096 631214846 /nfs/dbraw/zinc/21/48/46/631214846.db2.gz YIZXMKBKLVWJGQ-RYUDHWBXSA-N 1 0 322.836 3.016 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c(O)c1 ZINC000846216013 631215247 /nfs/dbraw/zinc/21/52/47/631215247.db2.gz OVLCCZFHZOVROP-BBRMVZONSA-N 1 0 312.413 3.128 20 10 DGCDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000846654893 631280385 /nfs/dbraw/zinc/28/03/85/631280385.db2.gz JSHKFMAVTGEELY-UHFFFAOYSA-N 1 0 318.442 3.094 20 10 DGCDRO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)cc1O ZINC000848566016 631694658 /nfs/dbraw/zinc/69/46/58/631694658.db2.gz PJHDAKUMMHNIFG-YKJXYISPSA-N 1 0 303.789 3.355 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000848574127 631700494 /nfs/dbraw/zinc/70/04/94/631700494.db2.gz AAJHLSQTOZKVGQ-IGLJKTCPSA-N 1 0 313.489 3.372 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1O ZINC000848883893 631771272 /nfs/dbraw/zinc/77/12/72/631771272.db2.gz UFHRBCLJCUXYGZ-UHFFFAOYSA-N 1 0 317.458 3.123 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c1O ZINC000848891693 631774592 /nfs/dbraw/zinc/77/45/92/631774592.db2.gz YAWPZZUVKQWYTN-SFHVURJKSA-N 1 0 316.420 3.486 20 10 DGCDRO CCc1cccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1O ZINC000848891041 631774615 /nfs/dbraw/zinc/77/46/15/631774615.db2.gz WIOSBJVQWHKTKX-HNNXBMFYSA-N 1 0 317.351 3.090 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(OC)cc2OC)c1O ZINC000848895508 631776736 /nfs/dbraw/zinc/77/67/36/631776736.db2.gz VPYKPFZKXQHSBH-UHFFFAOYSA-N 1 0 301.386 3.262 20 10 DGCDRO CCc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000848898406 631777344 /nfs/dbraw/zinc/77/73/44/631777344.db2.gz BTBCOUOEEMRLIW-RDJZCZTQSA-N 1 0 307.459 3.099 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2nc3cc(F)ccc3n2C)c1O ZINC000848897226 631777764 /nfs/dbraw/zinc/77/77/64/631777764.db2.gz GRQMZJSZXPMGDC-UHFFFAOYSA-N 1 0 313.376 3.270 20 10 DGCDRO CCc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000848913249 631784349 /nfs/dbraw/zinc/78/43/49/631784349.db2.gz SKYMMUGNWYXYJY-AEFFLSMTSA-N 1 0 301.430 3.488 20 10 DGCDRO CCc1cccc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1O ZINC000848920065 631787442 /nfs/dbraw/zinc/78/74/42/631787442.db2.gz WSOFSLPQOUEKCD-SJCJKPOMSA-N 1 0 303.377 3.305 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1O ZINC000848926624 631790645 /nfs/dbraw/zinc/79/06/45/631790645.db2.gz UIPUQTHGPWFSFA-JOCQHMNTSA-N 1 0 313.825 3.490 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000848929766 631792126 /nfs/dbraw/zinc/79/21/26/631792126.db2.gz ZTLWMEBIJNFFSP-CQSZACIVSA-N 1 0 305.418 3.324 20 10 DGCDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(N2CCC(C)CC2)cc1 ZINC000849006497 631804682 /nfs/dbraw/zinc/80/46/82/631804682.db2.gz LNYJFRCMVUWGCG-OAHLLOKOSA-N 1 0 302.466 3.335 20 10 DGCDRO CC(C)NC(=[NH2+])NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000849065116 631824316 /nfs/dbraw/zinc/82/43/16/631824316.db2.gz PSXBEOUQBFJIBI-UHFFFAOYSA-N 1 0 302.466 3.478 20 10 DGCDRO Cc1ccc(CNC(=[NH2+])NCc2ccc(N3CCCC3)cc2)cc1 ZINC000849071541 631826252 /nfs/dbraw/zinc/82/62/52/631826252.db2.gz FZVPJEJUYZYQRX-UHFFFAOYSA-N 1 0 322.456 3.409 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc4c3NCC4)C2)cc1 ZINC000849350703 631901758 /nfs/dbraw/zinc/90/17/58/631901758.db2.gz SECJTGHJAXBDSJ-KRWDZBQOSA-N 1 0 323.440 3.032 20 10 DGCDRO COc1cc(C[NH2+]C[C@]2(C)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850134498 632063177 /nfs/dbraw/zinc/06/31/77/632063177.db2.gz AYFJMECQGVHOIT-SFHVURJKSA-N 1 0 307.434 3.215 20 10 DGCDRO COc1cc(C[NH2+]CC[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850245899 632092482 /nfs/dbraw/zinc/09/24/82/632092482.db2.gz UGVJAGZNJPPIPR-CYBMUJFWSA-N 1 0 307.434 3.215 20 10 DGCDRO COc1cc(C[NH2+]CC2(CO)CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850250393 632093839 /nfs/dbraw/zinc/09/38/39/632093839.db2.gz RUXDDLNNEKJCMK-UHFFFAOYSA-N 1 0 321.461 3.341 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c(O)c(C(C)(C)C)c1 ZINC000850252819 632094579 /nfs/dbraw/zinc/09/45/79/632094579.db2.gz HLVUILHFRNVWKC-CXAGYDPISA-N 1 0 321.461 3.339 20 10 DGCDRO COc1cc(C[NH2+]C[C@H](C)CCCO)c(O)c(C(C)(C)C)c1 ZINC000850313499 632111587 /nfs/dbraw/zinc/11/15/87/632111587.db2.gz BPQSMGJSGNCMLB-CYBMUJFWSA-N 1 0 309.450 3.197 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCO[C@H](C(C)C)C3)C2)cc1 ZINC000850346251 632120145 /nfs/dbraw/zinc/12/01/45/632120145.db2.gz DEZZPZLCNHPITG-GJYPPUQNSA-N 1 0 318.461 3.067 20 10 DGCDRO CCc1cnc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000850347434 632120892 /nfs/dbraw/zinc/12/08/92/632120892.db2.gz SCUURELEYLITEF-CYBMUJFWSA-N 1 0 317.458 3.083 20 10 DGCDRO CCc1ncc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000850347116 632120958 /nfs/dbraw/zinc/12/09/58/632120958.db2.gz NQXHQXZWIAJPGR-ZDUSSCGKSA-N 1 0 317.458 3.083 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)c2ncnn21 ZINC000850352456 632122834 /nfs/dbraw/zinc/12/28/34/632122834.db2.gz XBRRRFKXHFFGJI-DYVFJYSZSA-N 1 0 320.396 3.446 20 10 DGCDRO Cc1ccncc1CC[NH2+]Cc1cc(Br)ccc1O ZINC000850355062 632123975 /nfs/dbraw/zinc/12/39/75/632123975.db2.gz CNHZOBHQLODLOL-UHFFFAOYSA-N 1 0 321.218 3.190 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)c(O)c1 ZINC000850365008 632127088 /nfs/dbraw/zinc/12/70/88/632127088.db2.gz CIDUHCGDWQHGNL-UHFFFAOYSA-N 1 0 317.360 3.371 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850368411 632127860 /nfs/dbraw/zinc/12/78/60/632127860.db2.gz XPKPMTXUDHBIEO-KRWDZBQOSA-N 1 0 300.446 3.478 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2COC3(CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850371016 632128836 /nfs/dbraw/zinc/12/88/36/632128836.db2.gz XIQLGQCXHAYEDQ-AWEZNQCLSA-N 1 0 319.445 3.500 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(COC)cs2)c1 ZINC000850377821 632132183 /nfs/dbraw/zinc/13/21/83/632132183.db2.gz PDVRPQLRLAIWJN-UHFFFAOYSA-N 1 0 307.415 3.289 20 10 DGCDRO c1cc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc2c1OCC2 ZINC000850382738 632133929 /nfs/dbraw/zinc/13/39/29/632133929.db2.gz VXEYEKGNZZHQIQ-QGZVFWFLSA-N 1 0 300.446 3.118 20 10 DGCDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C12CCC2 ZINC000850389000 632136914 /nfs/dbraw/zinc/13/69/14/632136914.db2.gz RLLGTFYFXVAOLM-QZTJIDSGSA-N 1 0 300.446 3.070 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2c(C3CCC3)cnn2C)c(O)c1 ZINC000850391586 632136973 /nfs/dbraw/zinc/13/69/73/632136973.db2.gz VLLPFABXOKSPKS-UHFFFAOYSA-N 1 0 315.417 3.082 20 10 DGCDRO COc1cccc(C[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)c1O ZINC000850395779 632138842 /nfs/dbraw/zinc/13/88/42/632138842.db2.gz YSLMYPRHNKKIAC-QZTJIDSGSA-N 1 0 315.413 3.249 20 10 DGCDRO CC(C)[C@H](O)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000850395842 632138939 /nfs/dbraw/zinc/13/89/39/632138939.db2.gz ZVTYMIKZVGKMPR-PMACEKPBSA-N 1 0 311.425 3.469 20 10 DGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CS1 ZINC000850406847 632142090 /nfs/dbraw/zinc/14/20/90/632142090.db2.gz WMBRMEYVPDACPB-GOEBONIOSA-N 1 0 320.502 3.021 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)c(O)c1 ZINC000850419405 632146765 /nfs/dbraw/zinc/14/67/65/632146765.db2.gz DKNQJEZPTADELT-UGSOOPFHSA-N 1 0 301.386 3.003 20 10 DGCDRO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000850431273 632150812 /nfs/dbraw/zinc/15/08/12/632150812.db2.gz VNOAFXAMWUUYGQ-SFHVURJKSA-N 1 0 310.445 3.498 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000850474259 632163432 /nfs/dbraw/zinc/16/34/32/632163432.db2.gz KXZWEUQQHAUWSA-YJBOKZPZSA-N 1 0 300.446 3.444 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCc2noc3ccccc23)c1O ZINC000850483756 632165935 /nfs/dbraw/zinc/16/59/35/632165935.db2.gz TVLVZWVVBXIXDN-LBPRGKRZSA-N 1 0 312.369 3.435 20 10 DGCDRO COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850485642 632166994 /nfs/dbraw/zinc/16/69/94/632166994.db2.gz AIFVCLFJHVQLAZ-HOTGVXAUSA-N 1 0 320.477 3.315 20 10 DGCDRO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000850484145 632167148 /nfs/dbraw/zinc/16/71/48/632167148.db2.gz DBYIRWCMZGZUSG-GFCCVEGCSA-N 1 0 316.376 3.018 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C3(OC)CCCC3)C2)cc1 ZINC000850486717 632167555 /nfs/dbraw/zinc/16/75/55/632167555.db2.gz JOCFBVAARFBPIT-HZPDHXFCSA-N 1 0 318.461 3.211 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CC3CCOCC3)C2)cc1 ZINC000850486171 632167668 /nfs/dbraw/zinc/16/76/68/632167668.db2.gz ABAAYYIZYIZAKD-RDJZCZTQSA-N 1 0 318.461 3.069 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000850486312 632167990 /nfs/dbraw/zinc/16/79/90/632167990.db2.gz AREPDVXMEGKLHN-BEFAXECRSA-N 1 0 302.462 3.489 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3nccs3)C2)cc1 ZINC000850489259 632168305 /nfs/dbraw/zinc/16/83/05/632168305.db2.gz SFYUASBAFQTKKX-QWHCGFSZSA-N 1 0 303.431 3.081 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C1CCOCC1 ZINC000850494740 632170733 /nfs/dbraw/zinc/17/07/33/632170733.db2.gz XURQAPUUXAFVDH-ABAIWWIYSA-N 1 0 313.825 3.138 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C1CCOCC1 ZINC000850493165 632171007 /nfs/dbraw/zinc/17/10/07/632171007.db2.gz GKIHZMSKHAWZAZ-ABAIWWIYSA-N 1 0 313.825 3.138 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc2ccccc2c1O ZINC000850498776 632172410 /nfs/dbraw/zinc/17/24/10/632172410.db2.gz DAIZTWWHEIAHKX-WQGACYEGSA-N 1 0 308.385 3.494 20 10 DGCDRO CC[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ccc(C)cc1O ZINC000850500236 632172542 /nfs/dbraw/zinc/17/25/42/632172542.db2.gz DTGHJCARVDGUCN-IRXDYDNUSA-N 1 0 324.424 3.329 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(N(C)C)cc1 ZINC000850501855 632173508 /nfs/dbraw/zinc/17/35/08/632173508.db2.gz QGNIKMGAKRHTHE-GHESNWTDSA-N 1 0 308.491 3.093 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]Cc2c(OC)cccc2OC)c1O ZINC000850505207 632174363 /nfs/dbraw/zinc/17/43/63/632174363.db2.gz PCTOVJJYLHQFDU-GFCCVEGCSA-N 1 0 317.385 3.269 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1O ZINC000850520872 632178262 /nfs/dbraw/zinc/17/82/62/632178262.db2.gz HWRGGOMVHRMPGK-SKDRFNHKSA-N 1 0 305.752 3.429 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c(O)c1C ZINC000850533141 632183408 /nfs/dbraw/zinc/18/34/08/632183408.db2.gz RGCPTBJQMZIAQH-BJJXKVORSA-N 1 0 311.372 3.474 20 10 DGCDRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000850533104 632183455 /nfs/dbraw/zinc/18/34/55/632183455.db2.gz ZLLOBGGXLNTAMR-CYBMUJFWSA-N 1 0 312.404 3.451 20 10 DGCDRO C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(F)ccc1O ZINC000850551294 632190099 /nfs/dbraw/zinc/19/00/99/632190099.db2.gz QMCQTLNMVWEULE-LLVKDONJSA-N 1 0 303.381 3.383 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c(O)c1C ZINC000850562643 632194858 /nfs/dbraw/zinc/19/48/58/632194858.db2.gz OTAXNBULJGMMGH-DNVCBOLYSA-N 1 0 321.461 3.227 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c(O)c1 ZINC000850573966 632199325 /nfs/dbraw/zinc/19/93/25/632199325.db2.gz UJOFPRJKWMGXKM-CQSZACIVSA-N 1 0 304.434 3.177 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000851715688 632473240 /nfs/dbraw/zinc/47/32/40/632473240.db2.gz BAQLKAYUDBNONE-CEXWTWQISA-N 1 0 314.473 3.391 20 10 DGCDRO C[C@@H]([NH2+]CC=C(Cl)Cl)c1ccc(N2CCOCC2)cc1 ZINC000851895109 632516465 /nfs/dbraw/zinc/51/64/65/632516465.db2.gz BUYAEILYJACMLV-GFCCVEGCSA-N 1 0 315.244 3.493 20 10 DGCDRO CCCCN(Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1O ZINC000852019465 632539920 /nfs/dbraw/zinc/53/99/20/632539920.db2.gz ZJPOZSIGXSHFJX-UHFFFAOYSA-N 1 0 319.361 3.399 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184912515 660194383 /nfs/dbraw/zinc/19/43/83/660194383.db2.gz PGFJTRQWEVZCGE-XHSDSOJGSA-N 1 0 320.477 3.239 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164161 660205541 /nfs/dbraw/zinc/20/55/41/660205541.db2.gz CYCVSHKKYHNJAN-HUUCEWRRSA-N 1 0 310.397 3.157 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164180 660205546 /nfs/dbraw/zinc/20/55/46/660205546.db2.gz CYCVSHKKYHNJAN-LSDHHAIUSA-N 1 0 310.397 3.157 20 10 DGCDRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)C2 ZINC000185334405 660216522 /nfs/dbraw/zinc/21/65/22/660216522.db2.gz VJKVZGUUPHSAMH-HIFRSBDPSA-N 1 0 313.397 3.364 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c1 ZINC000185353574 660218147 /nfs/dbraw/zinc/21/81/47/660218147.db2.gz JOFHKYRWQIMELE-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCOCC2CCOCC2)c1 ZINC000185520107 660227042 /nfs/dbraw/zinc/22/70/42/660227042.db2.gz RFROXIVJDAWXLY-HNNXBMFYSA-N 1 0 307.434 3.185 20 10 DGCDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000185581899 660231805 /nfs/dbraw/zinc/23/18/05/660231805.db2.gz ZVQTZVQPFJQYLK-QGZVFWFLSA-N 1 0 318.461 3.306 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1 ZINC000186230365 660350496 /nfs/dbraw/zinc/35/04/96/660350496.db2.gz AHDNILWWKXMFCB-LSDHHAIUSA-N 1 0 305.418 3.427 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cc(F)ccc1O ZINC000186230756 660350593 /nfs/dbraw/zinc/35/05/93/660350593.db2.gz CAVVEUFUNNVVMQ-TZMCWYRMSA-N 1 0 309.381 3.258 20 10 DGCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000186452620 660440310 /nfs/dbraw/zinc/44/03/10/660440310.db2.gz HMGFAFKMNBAYSE-WBVHZDCISA-N 1 0 319.449 3.024 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1O ZINC000186750535 660573060 /nfs/dbraw/zinc/57/30/60/660573060.db2.gz BKRQDCHWJYWJSA-XJKSGUPXSA-N 1 0 320.433 3.300 20 10 DGCDRO COC1(C)CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000701172975 660659202 /nfs/dbraw/zinc/65/92/02/660659202.db2.gz IAAWHIQGQAZIDQ-UHFFFAOYSA-N 1 0 314.223 3.156 20 10 DGCDRO CCOC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000701171902 660659478 /nfs/dbraw/zinc/65/94/78/660659478.db2.gz DTMNPBIZYQKXDE-UHFFFAOYSA-N 1 0 314.223 3.156 20 10 DGCDRO Brc1cncc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000705804998 660838541 /nfs/dbraw/zinc/83/85/41/660838541.db2.gz UBRCFVUBSWRESN-UHFFFAOYSA-N 1 0 319.202 3.069 20 10 DGCDRO CC(C)CCOCC[NH2+]Cc1c(O)cccc1Br ZINC000706829954 660874125 /nfs/dbraw/zinc/87/41/25/660874125.db2.gz ITAVXUCHSZJFTD-UHFFFAOYSA-N 1 0 316.239 3.307 20 10 DGCDRO CCC[C@@H](C[NH2+]Cc1c(O)cccc1Br)OC ZINC000706835046 660874284 /nfs/dbraw/zinc/87/42/84/660874284.db2.gz KLDCYWFKTJYOOG-JTQLQIEISA-N 1 0 302.212 3.059 20 10 DGCDRO Oc1cccc(Br)c1C[NH2+]CCOC1CCCC1 ZINC000706874983 660875813 /nfs/dbraw/zinc/87/58/13/660875813.db2.gz GQGOAQLXUSMHQS-UHFFFAOYSA-N 1 0 314.223 3.204 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c(C(F)(F)F)c1 ZINC000792830031 660987139 /nfs/dbraw/zinc/98/71/39/660987139.db2.gz UKGCFEQELGJPFY-HNNXBMFYSA-N 1 0 316.367 3.118 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCSC2)c(C(F)(F)F)c1 ZINC000793002547 660999499 /nfs/dbraw/zinc/99/94/99/660999499.db2.gz AKPFTGVAUDPQDJ-NSHDSACASA-N 1 0 304.381 3.367 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1F ZINC000793251237 661017900 /nfs/dbraw/zinc/01/79/00/661017900.db2.gz POOKTBIHYKLFBH-SFHVURJKSA-N 1 0 308.441 3.409 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1F ZINC000793251229 661017935 /nfs/dbraw/zinc/01/79/35/661017935.db2.gz POOKTBIHYKLFBH-GOSISDBHSA-N 1 0 308.441 3.409 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000793232575 661015781 /nfs/dbraw/zinc/01/57/81/661015781.db2.gz YUPALNDFGJAHJW-ONGXEEELSA-N 1 0 319.323 3.182 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CC=CCC2)cc1F ZINC000793320140 661024255 /nfs/dbraw/zinc/02/42/55/661024255.db2.gz VECKXZOGIRSJHJ-UHFFFAOYSA-N 1 0 305.441 3.023 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)cc1 ZINC000793394374 661030032 /nfs/dbraw/zinc/03/00/32/661030032.db2.gz FHQCPIUHEGMGBD-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1 ZINC000793619019 661050652 /nfs/dbraw/zinc/05/06/52/661050652.db2.gz AUVNTMFCYRUBRS-LJQANCHMSA-N 1 0 310.441 3.059 20 10 DGCDRO Cc1cccc(C[N@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c1O ZINC000793619604 661050695 /nfs/dbraw/zinc/05/06/95/661050695.db2.gz IHSBLLBHGXEQGJ-IBGZPJMESA-N 1 0 310.441 3.059 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC3(CCOCC3)CC2)c(O)c1 ZINC000793625623 661050975 /nfs/dbraw/zinc/05/09/75/661050975.db2.gz SJHBRWTYONSRRO-UHFFFAOYSA-N 1 0 305.418 3.184 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1C(C)C ZINC000794707407 661100171 /nfs/dbraw/zinc/10/01/71/661100171.db2.gz RWIORVCONDVEOQ-KXBFYZLASA-N 1 0 319.445 3.204 20 10 DGCDRO CC[C@H]([NH2+]CCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(C)cc1O ZINC000794789915 661105190 /nfs/dbraw/zinc/10/51/90/661105190.db2.gz BAIYDMKMMUSVFF-BQFCYCMXSA-N 1 0 320.477 3.241 20 10 DGCDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1cc2c(cc1O)CCCC2 ZINC000794836191 661108568 /nfs/dbraw/zinc/10/85/68/661108568.db2.gz SNMXCFTZCCCXRU-OAHLLOKOSA-N 1 0 300.446 3.184 20 10 DGCDRO Cc1ncccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160201123 655526758 /nfs/dbraw/zinc/52/67/58/655526758.db2.gz ASXJYHAZSNUDJY-GOSISDBHSA-N 1 0 312.413 3.277 20 10 DGCDRO COc1ccc(N2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000091923174 655632446 /nfs/dbraw/zinc/63/24/46/655632446.db2.gz UTVFGSLDJOJFIL-UHFFFAOYSA-N 1 0 306.406 3.218 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCOc3ccc(C)cc3C2)c1O ZINC000795707670 661169216 /nfs/dbraw/zinc/16/92/16/661169216.db2.gz XYNCHQPAUZBGPA-UHFFFAOYSA-N 1 0 313.397 3.412 20 10 DGCDRO O=C(Nc1cccc(N2CCCC2)c1)c1cccc2c1CC[NH2+]C2 ZINC000326049456 655691444 /nfs/dbraw/zinc/69/14/44/655691444.db2.gz ZTOLTALSHHYMLA-UHFFFAOYSA-N 1 0 321.424 3.185 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000795935837 661180412 /nfs/dbraw/zinc/18/04/12/661180412.db2.gz RIDKFLLNNMTRGQ-UHFFFAOYSA-N 1 0 312.413 3.137 20 10 DGCDRO CCN(CC)c1ccc(CNC(=O)C(CC)(CC)C[NH3+])cc1F ZINC000161284220 655779765 /nfs/dbraw/zinc/77/97/65/655779765.db2.gz ZWDMUPYLPSTLKY-UHFFFAOYSA-N 1 0 323.456 3.053 20 10 DGCDRO Oc1ccccc1C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000318262742 655854640 /nfs/dbraw/zinc/85/46/40/655854640.db2.gz IQXYCHWDYOFJRU-HNNXBMFYSA-N 1 0 311.303 3.234 20 10 DGCDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000309833382 655884534 /nfs/dbraw/zinc/88/45/34/655884534.db2.gz ZGELALSJBOGAGG-LDYMZIIASA-N 1 0 302.237 3.138 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(NC(N)=O)cc1 ZINC000176985385 655970747 /nfs/dbraw/zinc/97/07/47/655970747.db2.gz MPBLSABUNJLDLM-QWRGUYRKSA-N 1 0 317.364 3.434 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000840892677 656034526 /nfs/dbraw/zinc/03/45/26/656034526.db2.gz BYEPPPFKAOFBDT-SJORKVTESA-N 1 0 314.477 3.257 20 10 DGCDRO C[C@@H]([NH2+]CCN1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000178311161 656043591 /nfs/dbraw/zinc/04/35/91/656043591.db2.gz AVJKINBZLAQLLQ-QGZVFWFLSA-N 1 0 301.478 3.423 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000716239816 661220024 /nfs/dbraw/zinc/22/00/24/661220024.db2.gz UKBWLDPGKQTOIK-QGZVFWFLSA-N 1 0 316.832 3.410 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)CC2 ZINC000716235155 661220111 /nfs/dbraw/zinc/22/01/11/661220111.db2.gz AQBDXASHHYOYIV-ROUUACIJSA-N 1 0 308.425 3.244 20 10 DGCDRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000180253086 656092008 /nfs/dbraw/zinc/09/20/08/656092008.db2.gz PPLWDIJIROWFRF-YTEVENLXSA-N 1 0 321.417 3.462 20 10 DGCDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCOCC1 ZINC000183406635 656112589 /nfs/dbraw/zinc/11/25/89/656112589.db2.gz DREGTUQBPUZIAD-YJBOKZPZSA-N 1 0 320.477 3.180 20 10 DGCDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccccc1O)N1CCOCC1 ZINC000183406650 656112638 /nfs/dbraw/zinc/11/26/38/656112638.db2.gz DREGTUQBPUZIAD-CRAIPNDOSA-N 1 0 320.477 3.180 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000184833052 656121715 /nfs/dbraw/zinc/12/17/15/656121715.db2.gz POTAKHTVNFKSKX-UHFFFAOYSA-N 1 0 307.459 3.107 20 10 DGCDRO COc1ccc(OCC[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000184903583 656122189 /nfs/dbraw/zinc/12/21/89/656122189.db2.gz LHOWTRPCYFOQCU-AWEZNQCLSA-N 1 0 301.386 3.439 20 10 DGCDRO CC[C@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1ccccc1O ZINC000185212100 656124831 /nfs/dbraw/zinc/12/48/31/656124831.db2.gz VFMDILRSXRHHCX-KRWDZBQOSA-N 1 0 312.413 3.035 20 10 DGCDRO CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185443150 656126417 /nfs/dbraw/zinc/12/64/17/656126417.db2.gz BZZKCVXWYFOUIL-GJZGRUSLSA-N 1 0 306.450 3.316 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c1 ZINC000186000861 656129957 /nfs/dbraw/zinc/12/99/57/656129957.db2.gz VRSYIIROIDRUTL-NSHDSACASA-N 1 0 323.339 3.409 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)CC2CCCCC2)c1 ZINC000186033012 656129981 /nfs/dbraw/zinc/12/99/81/656129981.db2.gz ZRDVUVDIWNNPQM-OAHLLOKOSA-N 1 0 318.461 3.438 20 10 DGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000123777211 656183291 /nfs/dbraw/zinc/18/32/91/656183291.db2.gz FUESMJNXINTTJV-CYBMUJFWSA-N 1 0 319.445 3.396 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000236732241 656305297 /nfs/dbraw/zinc/30/52/97/656305297.db2.gz UVBHPMRVJTXTIG-CVEARBPZSA-N 1 0 318.461 3.157 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000724943318 656530483 /nfs/dbraw/zinc/53/04/83/656530483.db2.gz NPUORPFEHXCHDU-CHWSQXEVSA-N 1 0 306.406 3.052 20 10 DGCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092731431 656824229 /nfs/dbraw/zinc/82/42/29/656824229.db2.gz BEQKUQAFSSETGC-CVEARBPZSA-N 1 0 318.461 3.217 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236732214 656957917 /nfs/dbraw/zinc/95/79/17/656957917.db2.gz UVBHPMRVJTXTIG-HZPDHXFCSA-N 1 0 318.461 3.157 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000248488792 657029185 /nfs/dbraw/zinc/02/91/85/657029185.db2.gz HAHLJPCXWLSRIU-DCGLDWPTSA-N 1 0 303.377 3.174 20 10 DGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCCC2 ZINC000236993916 657037728 /nfs/dbraw/zinc/03/77/28/657037728.db2.gz OYUMKYPDAJTNEJ-MSOLQXFVSA-N 1 0 301.430 3.449 20 10 DGCDRO COC[C@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C[C@@H](C)O1 ZINC000249964613 657442043 /nfs/dbraw/zinc/44/20/43/657442043.db2.gz WSQFWLLCDDRWNI-GDBMZVCRSA-N 1 0 321.461 3.234 20 10 DGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)cc1 ZINC000237261000 657442547 /nfs/dbraw/zinc/44/25/47/657442547.db2.gz UGBUCVLLXKMPCE-UHFFFAOYSA-N 1 0 321.424 3.325 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000305147852 657687549 /nfs/dbraw/zinc/68/75/49/657687549.db2.gz SLGAQVYBIJHBOF-HXUWFJFHSA-N 1 0 316.489 3.420 20 10 DGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)COC ZINC000097989742 657700174 /nfs/dbraw/zinc/70/01/74/657700174.db2.gz HRWPPNZLFFQABJ-SNVBAGLBSA-N 1 0 302.212 3.012 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CC(C)C)C2)cc1C ZINC000987836345 658273015 /nfs/dbraw/zinc/27/30/15/658273015.db2.gz SLSRECVWMCMZSR-DOTOQJQBSA-N 1 0 318.461 3.129 20 10 DGCDRO Cc1cc(C(=O)NC[C@@H](C)C[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000237382839 658382289 /nfs/dbraw/zinc/38/22/89/658382289.db2.gz BTZRDBAFNYMUID-NSHDSACASA-N 1 0 319.836 3.072 20 10 DGCDRO CC[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1O ZINC000155676824 658839868 /nfs/dbraw/zinc/83/98/68/658839868.db2.gz VOABVUDUXGOIBP-QGZVFWFLSA-N 1 0 308.385 3.214 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccoc1 ZINC000165199900 658970091 /nfs/dbraw/zinc/97/00/91/658970091.db2.gz CPVVWOFLSIVHLR-ZDUSSCGKSA-N 1 0 304.365 3.106 20 10 DGCDRO C[C@H]([NH2+]CC1(CO)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000157359350 659051728 /nfs/dbraw/zinc/05/17/28/659051728.db2.gz YVUVLTYFEOKRKG-INIZCTEOSA-N 1 0 302.462 3.490 20 10 DGCDRO Oc1ccccc1C[NH2+]Cc1cc(Br)ccc1O ZINC000227446614 659156913 /nfs/dbraw/zinc/15/69/13/659156913.db2.gz CZEKSTKJTCOQBM-UHFFFAOYSA-N 1 0 308.175 3.150 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172798545 659357902 /nfs/dbraw/zinc/35/79/02/659357902.db2.gz OAYKLLPDYULSHM-AWEZNQCLSA-N 1 0 320.433 3.081 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCCCOC(C)C)c1O ZINC000230935783 659359774 /nfs/dbraw/zinc/35/97/74/659359774.db2.gz JPFTWRWWBJMAMQ-UHFFFAOYSA-N 1 0 301.814 3.349 20 10 DGCDRO Cc1cccn2cc(C[NH2+]Cc3cc(Cl)ccc3O)nc12 ZINC000076895288 659362159 /nfs/dbraw/zinc/36/21/59/659362159.db2.gz GFYRWXAMPVLOMF-UHFFFAOYSA-N 1 0 301.777 3.292 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](N3CC=CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000172931674 659364214 /nfs/dbraw/zinc/36/42/14/659364214.db2.gz YNHUWBXLCKPTHN-QGZVFWFLSA-N 1 0 314.473 3.444 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000324210687 659625450 /nfs/dbraw/zinc/62/54/50/659625450.db2.gz NZJAIFYDVOMSMK-QWHCGFSZSA-N 1 0 324.428 3.334 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000324210686 659625492 /nfs/dbraw/zinc/62/54/92/659625492.db2.gz NZJAIFYDVOMSMK-OLZOCXBDSA-N 1 0 324.428 3.334 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1ccns1)C[C@H]1CCCO1 ZINC000929970729 659868181 /nfs/dbraw/zinc/86/81/81/659868181.db2.gz KMYGDRADSTUWEY-OAHLLOKOSA-N 1 0 318.442 3.072 20 10 DGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179934641 659946535 /nfs/dbraw/zinc/94/65/35/659946535.db2.gz NXXHGTHJOFBLGB-CQSZACIVSA-N 1 0 324.396 3.020 20 10 DGCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000180205633 659956240 /nfs/dbraw/zinc/95/62/40/659956240.db2.gz DELLYVUOTSLPJX-KRWDZBQOSA-N 1 0 303.377 3.304 20 10 DGCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180286843 659957880 /nfs/dbraw/zinc/95/78/80/659957880.db2.gz DOIWSQBDDHZYGF-ZDUSSCGKSA-N 1 0 309.381 3.087 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CCO)C2CCCCC2)c1O ZINC000181501059 660003637 /nfs/dbraw/zinc/00/36/37/660003637.db2.gz RSLCDJAPRWBJDY-QGZVFWFLSA-N 1 0 323.408 3.155 20 10 DGCDRO COc1ccc(OCC[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182383741 660049564 /nfs/dbraw/zinc/04/95/64/660049564.db2.gz VMYZIAIRMXVMGS-ZDUSSCGKSA-N 1 0 317.385 3.139 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000182417128 660052368 /nfs/dbraw/zinc/05/23/68/660052368.db2.gz FZTWYPWNHCIAJL-CQSZACIVSA-N 1 0 323.396 3.437 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000182461751 660054373 /nfs/dbraw/zinc/05/43/73/660054373.db2.gz QWSLVNXSXDNNKA-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)C[C@@H](C)c2nccs2)c1O ZINC000182851313 660085300 /nfs/dbraw/zinc/08/53/00/660085300.db2.gz JJFNECAYMJOHEP-GFCCVEGCSA-N 1 0 306.431 3.401 20 10 DGCDRO CCOC(=O)CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975196 660102861 /nfs/dbraw/zinc/10/28/61/660102861.db2.gz AOINZBXZYVQNQD-UHFFFAOYSA-N 1 0 317.385 3.331 20 10 DGCDRO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1ccccc1O ZINC000183409657 660110272 /nfs/dbraw/zinc/11/02/72/660110272.db2.gz QGJIRGVNOFOJNI-HNNXBMFYSA-N 1 0 324.424 3.365 20 10 DGCDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCOCC1 ZINC000183406615 660110310 /nfs/dbraw/zinc/11/03/10/660110310.db2.gz DREGTUQBPUZIAD-MAUKXSAKSA-N 1 0 320.477 3.180 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccccc1O ZINC000183459609 660115225 /nfs/dbraw/zinc/11/52/25/660115225.db2.gz KNBRQQYWFQAQGM-OAHLLOKOSA-N 1 0 312.413 3.080 20 10 DGCDRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183465714 660116592 /nfs/dbraw/zinc/11/65/92/660116592.db2.gz WCWREQJZJTWSJU-CQSZACIVSA-N 1 0 304.434 3.080 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929976238 661355346 /nfs/dbraw/zinc/35/53/46/661355346.db2.gz MKYPESAXGKCUEG-TZMCWYRMSA-N 1 0 303.324 3.324 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000930216386 661379187 /nfs/dbraw/zinc/37/91/87/661379187.db2.gz GRRCVWFUAJSRLU-UMVBOHGHSA-N 1 0 321.417 3.031 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[NH2+]C(C)(C)C ZINC000930295347 661385897 /nfs/dbraw/zinc/38/58/97/661385897.db2.gz DDTCSVDHVINICR-UHFFFAOYSA-N 1 0 319.493 3.268 20 10 DGCDRO CCCC[N@H+](Cc1noc2c1COCC2)Cc1ccccc1O ZINC000930352814 661391534 /nfs/dbraw/zinc/39/15/34/661391534.db2.gz XUHFBVWXPRUGGY-UHFFFAOYSA-N 1 0 316.401 3.255 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000075734919 661945496 /nfs/dbraw/zinc/94/54/96/661945496.db2.gz SFRVRNNNIJTKLD-IBGZPJMESA-N 1 0 316.420 3.495 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCCCCC1 ZINC000076074500 661966646 /nfs/dbraw/zinc/96/66/46/661966646.db2.gz RQCNLKNOWOWRPU-INIZCTEOSA-N 1 0 318.461 3.395 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000190038331 662003254 /nfs/dbraw/zinc/00/32/54/662003254.db2.gz HJBWEDGEACTLQP-UONOGXRCSA-N 1 0 321.465 3.316 20 10 DGCDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000191564953 662072769 /nfs/dbraw/zinc/07/27/69/662072769.db2.gz XAMKVCDYHJRKJR-CJNGLKHVSA-N 1 0 303.377 3.094 20 10 DGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)c1O ZINC000191659984 662076330 /nfs/dbraw/zinc/07/63/30/662076330.db2.gz CGJVGYGDKPWOQB-SFHVURJKSA-N 1 0 323.408 3.107 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000078878755 662088333 /nfs/dbraw/zinc/08/83/33/662088333.db2.gz IZTTWCCCOMTIJM-KRWDZBQOSA-N 1 0 300.402 3.093 20 10 DGCDRO C[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@@H](c2ccccc2)C1 ZINC000245534031 662234782 /nfs/dbraw/zinc/23/47/82/662234782.db2.gz VXNCAXFSCOJEFV-QGZVFWFLSA-N 1 0 300.377 3.020 20 10 DGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H](c2ccccc2)O1 ZINC000245997809 662245604 /nfs/dbraw/zinc/24/56/04/662245604.db2.gz RMIBXGCLUNAYML-UGSOOPFHSA-N 1 0 301.361 3.493 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246371644 662255712 /nfs/dbraw/zinc/25/57/12/662255712.db2.gz OBEOGCUBYCVCNB-LPHOPBHVSA-N 1 0 314.473 3.458 20 10 DGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000090891320 662284840 /nfs/dbraw/zinc/28/48/40/662284840.db2.gz UWYOEDWRGMCKHJ-KUHUBIRLSA-N 1 0 316.420 3.450 20 10 DGCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092400959 662330508 /nfs/dbraw/zinc/33/05/08/662330508.db2.gz POQYSDVGYWMLRT-JKSUJKDBSA-N 1 0 318.461 3.217 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000092757364 662335396 /nfs/dbraw/zinc/33/53/96/662335396.db2.gz VKTZLTMSJKFQQL-LJQANCHMSA-N 1 0 301.478 3.203 20 10 DGCDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092938302 662340232 /nfs/dbraw/zinc/34/02/32/662340232.db2.gz HRCTZGZWWQRWBJ-LJQANCHMSA-N 1 0 301.478 3.203 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000093441971 662354650 /nfs/dbraw/zinc/35/46/50/662354650.db2.gz GKKNWJWZXRGXBS-ROUUACIJSA-N 1 0 300.446 3.145 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000093691971 662359149 /nfs/dbraw/zinc/35/91/49/662359149.db2.gz CSKAGRSDDGFGTI-UHFFFAOYSA-N 1 0 301.459 3.136 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCc2nccs2)c1O ZINC000157468642 685098229 /nfs/dbraw/zinc/09/82/29/685098229.db2.gz YYXWIZJOTPNWEE-UHFFFAOYSA-N 1 0 324.833 3.379 20 10 DGCDRO CN(CC[NH2+]Cc1c(O)cccc1Cl)Cc1ccccc1 ZINC000386794075 685179667 /nfs/dbraw/zinc/17/96/67/685179667.db2.gz AOBIFIRFVMVBIE-UHFFFAOYSA-N 1 0 304.821 3.267 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCOCc2ccccc2)c(O)c1 ZINC000389971282 685198077 /nfs/dbraw/zinc/19/80/77/685198077.db2.gz VCOHNJZFKBCUIH-OAHLLOKOSA-N 1 0 315.413 3.486 20 10 DGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N(C)Cc1ccccc1 ZINC000390563192 685202906 /nfs/dbraw/zinc/20/29/06/685202906.db2.gz NOAYFQGKWSPEIF-YJBOKZPZSA-N 1 0 310.441 3.490 20 10 DGCDRO CCOC(=O)C(CC)(CC)C[NH2+]Cc1cccc(CC)c1O ZINC001659785895 1196414924 /nfs/dbraw/zinc/41/49/24/1196414924.db2.gz AFVFAKSHVOWWMQ-UHFFFAOYSA-N 1 0 307.434 3.414 20 10 DGCDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001617635065 1191870995 /nfs/dbraw/zinc/87/09/95/1191870995.db2.gz BBPZBYBKXOMYKD-LJQANCHMSA-N 1 0 318.461 3.450 20 10 DGCDRO Cc1cc(O)c(CNc2cnc3c(c2)C[C@H]([NH3+])CC3)c(Cl)c1 ZINC001579638444 1191983464 /nfs/dbraw/zinc/98/34/64/1191983464.db2.gz XLYRZRSEEZTYCY-GFCCVEGCSA-N 1 0 317.820 3.177 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1 ZINC001579673635 1191985477 /nfs/dbraw/zinc/98/54/77/1191985477.db2.gz APICLCKFDFXISO-UHFFFAOYSA-N 1 0 311.429 3.048 20 10 DGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001579673629 1191985815 /nfs/dbraw/zinc/98/58/15/1191985815.db2.gz AFVZIBASLKJTNG-BXUZGUMPSA-N 1 0 317.458 3.026 20 10 DGCDRO [NH3+]C[C@@]12C[N@H+](Cc3c([O-])ccc(Cl)c3F)C[C@H]1CCCC2 ZINC001580256856 1192016765 /nfs/dbraw/zinc/01/67/65/1192016765.db2.gz YNHAUXUQZFHCCC-BZNIZROVSA-N 1 0 312.816 3.136 20 10 DGCDRO Nc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001580445585 1192027296 /nfs/dbraw/zinc/02/72/96/1192027296.db2.gz LKVZVZUJWUCZRW-UHFFFAOYSA-N 1 0 323.440 3.185 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCCOC1CCOCC1 ZINC001620812075 1192106519 /nfs/dbraw/zinc/10/65/19/1192106519.db2.gz VSSOYYLMSRQIOE-UHFFFAOYSA-N 1 0 316.445 3.162 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC001584189517 1192182618 /nfs/dbraw/zinc/18/26/18/1192182618.db2.gz DXDXWHURRFDSAW-AWEZNQCLSA-N 1 0 313.445 3.164 20 10 DGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1O ZINC001590461319 1192511032 /nfs/dbraw/zinc/51/10/32/1192511032.db2.gz AWAUSKYHOHZLOS-LRDDRELGSA-N 1 0 323.400 3.374 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(Cl)cc1 ZINC001620952432 1192647582 /nfs/dbraw/zinc/64/75/82/1192647582.db2.gz UDNZJCSJLDWPCW-KRWDZBQOSA-N 1 0 317.816 3.488 20 10 DGCDRO C[NH+](C)C1(C(=O)NCc2c(O)ccc3ccccc32)CCCC1 ZINC001597742519 1192745086 /nfs/dbraw/zinc/74/50/86/1192745086.db2.gz MPXGNVOBLDORSR-UHFFFAOYSA-N 1 0 312.413 3.036 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)=C2CCC2)cc1C ZINC001752870436 1177366125 /nfs/dbraw/zinc/36/61/25/1177366125.db2.gz WEPQXPVJVNMESS-CQSZACIVSA-N 1 0 316.445 3.098 20 10 DGCDRO CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@@H](O)C(F)(F)F ZINC001178369982 1177794683 /nfs/dbraw/zinc/79/46/83/1177794683.db2.gz SEHMJZDBWHIEHH-IUODEOHRSA-N 1 0 314.351 3.278 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCCc2nc(C)cs2)c1O ZINC001331554955 1178244450 /nfs/dbraw/zinc/24/44/50/1178244450.db2.gz ZRNKBUOJRSXNSB-UHFFFAOYSA-N 1 0 306.431 3.197 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](F)C3)cc2)CC1 ZINC001333368883 1178595795 /nfs/dbraw/zinc/59/57/95/1178595795.db2.gz NJFGHPBGTNPFPA-JKSUJKDBSA-N 1 0 306.425 3.018 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)O1 ZINC001333723864 1178660681 /nfs/dbraw/zinc/66/06/81/1178660681.db2.gz ZGCDCUDEGZCTEK-OLZOCXBDSA-N 1 0 307.434 3.395 20 10 DGCDRO COc1ccc(C[NH2+]CC2CCC(F)(F)CC2)c(O)c1OC ZINC001333762325 1178669107 /nfs/dbraw/zinc/66/91/07/1178669107.db2.gz NCFYQONOTRWGDL-UHFFFAOYSA-N 1 0 315.360 3.325 20 10 DGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCC3)c(O)c1OC ZINC001334158429 1178729404 /nfs/dbraw/zinc/72/94/04/1178729404.db2.gz YETVPQMQQLWKPL-UHFFFAOYSA-N 1 0 313.397 3.188 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCOC23CCCC3)cc1 ZINC001335134506 1178857642 /nfs/dbraw/zinc/85/76/42/1178857642.db2.gz SOPNMWWPNADNIU-QWNKOJSDSA-N 1 0 300.446 3.457 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001344439554 1179434252 /nfs/dbraw/zinc/43/42/52/1179434252.db2.gz WKVJHZFYGMYAEJ-HWTQTHBUSA-N 1 0 300.446 3.267 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2Cc3ccccc3O2)cc1 ZINC001200161903 1180418792 /nfs/dbraw/zinc/41/87/92/1180418792.db2.gz QXKGMEFZYAZOPK-ZMBJWTFHSA-N 1 0 308.425 3.359 20 10 DGCDRO CCC1(C[NH2+]CCCSc2nccs2)CCOCC1 ZINC001200692561 1180828047 /nfs/dbraw/zinc/82/80/47/1180828047.db2.gz RBGCCADQJLWGJZ-UHFFFAOYSA-N 1 0 300.493 3.422 20 10 DGCDRO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1ccc(N)cc1 ZINC001356082853 1181139046 /nfs/dbraw/zinc/13/90/46/1181139046.db2.gz FTKBVWUTTSLRKJ-UHFFFAOYSA-N 1 0 317.399 3.365 20 10 DGCDRO OC[C@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCCc2ccccc21 ZINC001474122971 1181582864 /nfs/dbraw/zinc/58/28/64/1181582864.db2.gz INUVBJXPIDNURX-OAQYLSRUSA-N 1 0 323.436 3.325 20 10 DGCDRO CCc1csc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001458681117 1182549145 /nfs/dbraw/zinc/54/91/45/1182549145.db2.gz LAHQOQQVPSOMBN-MRXNPFEDSA-N 1 0 318.490 3.486 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CC3(CCC3)CO2)cc1 ZINC001460335008 1182678760 /nfs/dbraw/zinc/67/87/60/1182678760.db2.gz LPXORLUEISRJGZ-GOSISDBHSA-N 1 0 318.461 3.022 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cn3ccsc3n2)cc1 ZINC001461118073 1182770516 /nfs/dbraw/zinc/77/05/16/1182770516.db2.gz VROFCCUCWSRJBO-ARJAWSKDSA-N 1 0 312.442 3.265 20 10 DGCDRO Fc1cccn2cc(C[NH2+]CCCSc3nccs3)nc12 ZINC001461234156 1182783458 /nfs/dbraw/zinc/78/34/58/1182783458.db2.gz YHYQKXMLFVOBCR-UHFFFAOYSA-N 1 0 322.434 3.202 20 10 DGCDRO Cn1cc(CC[NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC001461639135 1182836189 /nfs/dbraw/zinc/83/61/89/1182836189.db2.gz ZKARFJOECFVRIW-UHFFFAOYSA-N 1 0 306.409 3.446 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC001461971999 1182886622 /nfs/dbraw/zinc/88/66/22/1182886622.db2.gz TZXDQTRVTANMNW-QGZVFWFLSA-N 1 0 312.457 3.444 20 10 DGCDRO C[C@H]1SCC[N@H+](Cc2ccc(Br)cc2O)[C@H]1C ZINC001461965102 1182887905 /nfs/dbraw/zinc/88/79/05/1182887905.db2.gz ZBEJUZBBDFDRIP-VHSXEESVSA-N 1 0 316.264 3.481 20 10 DGCDRO COc1cc(C)c(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c(O)c1 ZINC001462252379 1182928882 /nfs/dbraw/zinc/92/88/82/1182928882.db2.gz VGNKDRVEIKTTEE-DLBZAZTESA-N 1 0 305.418 3.099 20 10 DGCDRO C[N@H+](Cc1ccccc1)C1CN(Cc2ccc(Cl)cc2O)C1 ZINC001462323456 1182940534 /nfs/dbraw/zinc/94/05/34/1182940534.db2.gz ZEWIUGICMROTNO-UHFFFAOYSA-N 1 0 316.832 3.362 20 10 DGCDRO CCOC(=O)CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC001462386204 1182945499 /nfs/dbraw/zinc/94/54/99/1182945499.db2.gz GVRYNBYOKKKUJE-BQYQJAHWSA-N 1 0 318.461 3.429 20 10 DGCDRO Cc1ccc(C[NH2+]CCc2cccc3c2OC(F)(F)O3)c(O)c1 ZINC001462438267 1182952421 /nfs/dbraw/zinc/95/24/21/1182952421.db2.gz JTIHVVZLGBKOMI-UHFFFAOYSA-N 1 0 321.323 3.354 20 10 DGCDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463391 1182956477 /nfs/dbraw/zinc/95/64/77/1182956477.db2.gz VBQKJLZCGOHQJM-LRDDRELGSA-N 1 0 312.404 3.223 20 10 DGCDRO COC(=O)C(C)(C)C[N@@H+](Cc1cc(OC)ccc1O)CC(C)C ZINC001462537729 1182965685 /nfs/dbraw/zinc/96/56/85/1182965685.db2.gz AJCFDRPYCGFTCN-UHFFFAOYSA-N 1 0 323.433 3.058 20 10 DGCDRO CCO[C@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001462624492 1182977584 /nfs/dbraw/zinc/97/75/84/1182977584.db2.gz WJBYKJVJGMGFRM-AWEZNQCLSA-N 1 0 307.434 3.309 20 10 DGCDRO COC[C@@H](CC(C)C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001462651026 1182980823 /nfs/dbraw/zinc/98/08/23/1182980823.db2.gz NNKGHGSZESNXRB-IEBWSBKVSA-N 1 0 321.509 3.006 20 10 DGCDRO CC(C)C[NH+]1CCC(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC001606867753 1193206655 /nfs/dbraw/zinc/20/66/55/1193206655.db2.gz CISJRPUDWWUGIC-UHFFFAOYSA-N 1 0 324.852 3.030 20 10 DGCDRO FC(F)(F)CSCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474070760 1183861465 /nfs/dbraw/zinc/86/14/65/1183861465.db2.gz GDHCYSJRYCCMQF-UHFFFAOYSA-N 1 0 305.365 3.397 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCOc1ncccc1F ZINC001474076691 1183862253 /nfs/dbraw/zinc/86/22/53/1183862253.db2.gz LQTKKABHRXZDJY-UHFFFAOYSA-N 1 0 313.376 3.189 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1 ZINC001474270675 1183892673 /nfs/dbraw/zinc/89/26/73/1183892673.db2.gz LERJRBNUBYRCKH-YZTRRJNXSA-N 1 0 300.446 3.315 20 10 DGCDRO CO[C@H](C)C[N@H+](Cc1cc(F)c(N(C)C)cc1F)C(C)C ZINC001474316949 1183903877 /nfs/dbraw/zinc/90/38/77/1183903877.db2.gz GWYMCRUDRXZCJW-GFCCVEGCSA-N 1 0 300.393 3.276 20 10 DGCDRO CCOCCOC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC001474333056 1183906127 /nfs/dbraw/zinc/90/61/27/1183906127.db2.gz VKALXRAGKANIPN-UHFFFAOYSA-N 1 0 320.477 3.079 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2cccs2)CC1 ZINC001474344958 1183906764 /nfs/dbraw/zinc/90/67/64/1183906764.db2.gz YBLXNBSWYSFTML-UHFFFAOYSA-N 1 0 315.486 3.445 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@H+](CCCO)Cc1ccccc1 ZINC001474368036 1183909687 /nfs/dbraw/zinc/90/96/87/1183909687.db2.gz SYGRLWOTPWBFAN-UHFFFAOYSA-N 1 0 312.457 3.446 20 10 DGCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H]2C)c2cc(F)ccc2n1C ZINC001474380553 1183913372 /nfs/dbraw/zinc/91/33/72/1183913372.db2.gz UWVLSGGACKMKAT-LLVKDONJSA-N 1 0 304.365 3.088 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(Cl)cc1O ZINC001474395979 1183914430 /nfs/dbraw/zinc/91/44/30/1183914430.db2.gz ANWJFYXBADAWCB-XJKSGUPXSA-N 1 0 311.809 3.257 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c(O)c1 ZINC001474437120 1183922105 /nfs/dbraw/zinc/92/21/05/1183922105.db2.gz CRAXKEYCUOLUHK-AWEZNQCLSA-N 1 0 313.397 3.492 20 10 DGCDRO COC(=O)N1CCC(C[NH2+]Cc2cc(C(C)C)ccc2O)CC1 ZINC001474508323 1183932901 /nfs/dbraw/zinc/93/29/01/1183932901.db2.gz CFEZHOYVQNIMDM-UHFFFAOYSA-N 1 0 320.433 3.084 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@H](CO)CC(C)(C)C)cc1 ZINC001474527272 1183935993 /nfs/dbraw/zinc/93/59/93/1183935993.db2.gz WMBJHXLCNHHNJN-DVBCCOPCSA-N 1 0 304.478 3.495 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001474531447 1183936164 /nfs/dbraw/zinc/93/61/64/1183936164.db2.gz BEFVZAMRUYPATJ-UHFFFAOYSA-N 1 0 300.255 3.235 20 10 DGCDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(C(C)C)ccc1O ZINC001474538821 1183937020 /nfs/dbraw/zinc/93/70/20/1183937020.db2.gz WLPHMWBLGAQOED-AWEZNQCLSA-N 1 0 306.450 3.158 20 10 DGCDRO C[N@@H+]1CCN(Cc2cc(F)cc(F)c2O)c2ccccc2C1 ZINC001474543637 1183938038 /nfs/dbraw/zinc/93/80/38/1183938038.db2.gz ZEVLHOZTBYGSOX-UHFFFAOYSA-N 1 0 304.340 3.122 20 10 DGCDRO COc1cc(C)c(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c(O)c1 ZINC001474555746 1183939504 /nfs/dbraw/zinc/93/95/04/1183939504.db2.gz ZRLBWBWMZINHLN-CQSZACIVSA-N 1 0 313.397 3.492 20 10 DGCDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474691833 1183963397 /nfs/dbraw/zinc/96/33/97/1183963397.db2.gz STIQPLFKHFOWTG-GFCCVEGCSA-N 1 0 311.809 3.211 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2nc3c(s2)CCCC3)c(O)c1 ZINC001474700270 1183964040 /nfs/dbraw/zinc/96/40/40/1183964040.db2.gz RWTCZYCOPNEKTL-UHFFFAOYSA-N 1 0 318.442 3.334 20 10 DGCDRO COC(=O)c1c(C[NH2+][C@@H]2CC[C@H](C)C2)c2cc(F)ccc2n1C ZINC001474707769 1183965838 /nfs/dbraw/zinc/96/58/38/1183965838.db2.gz HCCIBBJSTNBQIW-WCQYABFASA-N 1 0 318.392 3.382 20 10 DGCDRO CC[C@@H](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480201318 1184458376 /nfs/dbraw/zinc/45/83/76/1184458376.db2.gz JSTGPLVIRIPAHZ-XYPHTWIQSA-N 1 0 318.461 3.177 20 10 DGCDRO CCC[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480439698 1184530235 /nfs/dbraw/zinc/53/02/35/1184530235.db2.gz UZEWKZREBHEFFK-ZFWWWQNUSA-N 1 0 306.450 3.034 20 10 DGCDRO CCC[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480439695 1184530365 /nfs/dbraw/zinc/53/03/65/1184530365.db2.gz UZEWKZREBHEFFK-UKRRQHHQSA-N 1 0 306.450 3.034 20 10 DGCDRO CCC(=CC(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1)CC ZINC001480444393 1184530543 /nfs/dbraw/zinc/53/05/43/1184530543.db2.gz MVEQQAPYNQSKCB-HNNXBMFYSA-N 1 0 318.461 3.344 20 10 DGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001656618343 1196055494 /nfs/dbraw/zinc/05/54/94/1196055494.db2.gz XADAYLKTUQAYRH-AWEZNQCLSA-N 1 0 312.404 3.326 20 10 DGCDRO CCCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001616867275 1193549616 /nfs/dbraw/zinc/54/96/16/1193549616.db2.gz SVESEHSZNREXQW-QGZVFWFLSA-N 1 0 319.493 3.298 20 10 DGCDRO CCC(CC)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N(C)C ZINC001560260571 1189300932 /nfs/dbraw/zinc/30/09/32/1189300932.db2.gz MAABPFJNNKPEFY-GOSISDBHSA-N 1 0 304.478 3.468 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCC(=O)N[C@H](C)CC)cc1C ZINC001560300548 1189308370 /nfs/dbraw/zinc/30/83/70/1189308370.db2.gz HIDUPJKARUDDBS-OAHLLOKOSA-N 1 0 306.450 3.178 20 10 DGCDRO CCOCc1cc(C[NH2+]CC[C@@H]2CCCCO2)ccc1OC ZINC001560413023 1189325381 /nfs/dbraw/zinc/32/53/81/1189325381.db2.gz SRAPOKOHNIHXFJ-KRWDZBQOSA-N 1 0 307.434 3.281 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)C2)cc1Cn1cccn1 ZINC001560459992 1189330686 /nfs/dbraw/zinc/33/06/86/1189330686.db2.gz DIHRLWBRCMAHJW-JKSUJKDBSA-N 1 0 313.445 3.466 20 10 DGCDRO CC(C)[C@H](CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001560625963 1189350805 /nfs/dbraw/zinc/35/08/05/1189350805.db2.gz WCYQJQWUVMCXLW-FQEVSTJZSA-N 1 0 324.468 3.356 20 10 DGCDRO CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)c1ccnn1C ZINC001560760434 1189377225 /nfs/dbraw/zinc/37/72/25/1189377225.db2.gz GJVRCXNHGCRCOQ-CQSZACIVSA-N 1 0 307.825 3.309 20 10 DGCDRO COc1ccc(C[NH2+]CCSCc2ccccc2)c(O)c1 ZINC001560784890 1189382031 /nfs/dbraw/zinc/38/20/31/1189382031.db2.gz XSBIURLLWBHRNS-UHFFFAOYSA-N 1 0 303.427 3.424 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]CC2(CC(N)=O)CCCCC2)c1 ZINC001560947474 1189409842 /nfs/dbraw/zinc/40/98/42/1189409842.db2.gz ZCVGCKYUGMMBCJ-UHFFFAOYSA-N 1 0 318.461 3.431 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc2[nH]c(=O)oc2c1 ZINC001560954094 1189410283 /nfs/dbraw/zinc/41/02/83/1189410283.db2.gz GOJYHGZGBMGGSG-SECBINFHSA-N 1 0 302.305 3.229 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c(O)c1 ZINC001561042501 1189425384 /nfs/dbraw/zinc/42/53/84/1189425384.db2.gz CDJHTBUBEYVTOB-HOTGVXAUSA-N 1 0 319.445 3.348 20 10 DGCDRO COc1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)c(O)c1OC ZINC001561051806 1189428133 /nfs/dbraw/zinc/42/81/33/1189428133.db2.gz JQPUKUNHHRDKOT-HNNXBMFYSA-N 1 0 323.433 3.046 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)C(C)C)cc1C ZINC001568325013 1190490917 /nfs/dbraw/zinc/49/09/17/1190490917.db2.gz BOZCLEACPNNMNZ-KRWDZBQOSA-N 1 0 320.477 3.280 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C2CCC2)cc1C ZINC001568999679 1190606355 /nfs/dbraw/zinc/60/63/55/1190606355.db2.gz WOIKFANBSHXFRF-HUUCEWRRSA-N 1 0 318.461 3.034 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001621114674 1193805114 /nfs/dbraw/zinc/80/51/14/1193805114.db2.gz QVFJEIWSNOEESB-RDJZCZTQSA-N 1 0 318.461 3.217 20 10 DGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c(O)c1 ZINC001621184150 1193814032 /nfs/dbraw/zinc/81/40/32/1193814032.db2.gz IAWCXVHOHOOUQP-HNNXBMFYSA-N 1 0 302.374 3.343 20 10 DGCDRO CC(C)c1ccc(O)c(CN(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC001621311591 1193829198 /nfs/dbraw/zinc/82/91/98/1193829198.db2.gz NXWRFFIIVDGIOC-GOSISDBHSA-N 1 0 320.477 3.058 20 10 DGCDRO Cc1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)c(O)c1 ZINC001621319240 1193830539 /nfs/dbraw/zinc/83/05/39/1193830539.db2.gz AIAUICAWLPJNFJ-UHFFFAOYSA-N 1 0 302.418 3.248 20 10 DGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001621382048 1193835690 /nfs/dbraw/zinc/83/56/90/1193835690.db2.gz BFFWLRDFPBFEMS-WDEREUQCSA-N 1 0 318.161 3.242 20 10 DGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC001621395443 1193837573 /nfs/dbraw/zinc/83/75/73/1193837573.db2.gz BDUXNHCOTUHANW-MRXNPFEDSA-N 1 0 311.809 3.129 20 10 DGCDRO COC(=O)CCC1([NH2+]Cc2cc(OC)ccc2O)CCCCC1 ZINC001621537693 1193855592 /nfs/dbraw/zinc/85/55/92/1193855592.db2.gz LUSCFLPLEONKKM-UHFFFAOYSA-N 1 0 321.417 3.147 20 10 DGCDRO C[NH+](C)Cc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001641920258 1194879321 /nfs/dbraw/zinc/87/93/21/1194879321.db2.gz BXADBVGRRJECTN-UHFFFAOYSA-N 1 0 318.804 3.037 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1O ZINC001645713733 1195198428 /nfs/dbraw/zinc/19/84/28/1195198428.db2.gz ORVHAUJCPOEJTK-CVEARBPZSA-N 1 0 323.408 3.416 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1 ZINC001646717630 1195237336 /nfs/dbraw/zinc/23/73/36/1195237336.db2.gz BVAPLALEKQDNOT-ZYSHUDEJSA-N 1 0 318.461 3.021 20 10 DGCDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001647038481 1195242517 /nfs/dbraw/zinc/24/25/17/1195242517.db2.gz OFFCVLHBQSDHJF-AWEZNQCLSA-N 1 0 313.397 3.187 20 10 DGCDRO Cc1cc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)ccc1N1CCCCC1 ZINC001647806502 1195254790 /nfs/dbraw/zinc/25/47/90/1195254790.db2.gz IFPJHZUGZKIGJK-PXNSSMCTSA-N 1 0 316.489 3.436 20 10 DGCDRO Cc1cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)ccc1N(C)C ZINC001647866080 1195261854 /nfs/dbraw/zinc/26/18/54/1195261854.db2.gz GYQSDPFQVCVDHG-UHFFFAOYSA-N 1 0 314.473 3.452 20 10 DGCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@@H+]1C1CCCC1 ZINC001648327720 1195292274 /nfs/dbraw/zinc/29/22/74/1195292274.db2.gz LPPCAZVKQOASGI-MRXNPFEDSA-N 1 0 301.478 3.201 20 10 DGCDRO CC(C)[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001648591425 1195311033 /nfs/dbraw/zinc/31/10/33/1195311033.db2.gz LDGVNOFIRZHVHX-UXHICEINSA-N 1 0 315.505 3.447 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCOC[C@H]2CCCO2)cc1C ZINC001649935310 1195359128 /nfs/dbraw/zinc/35/91/28/1195359128.db2.gz DZYAUFDVASFGEV-QGZVFWFLSA-N 1 0 307.434 3.069 20 10 DGCDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC001650615397 1195364388 /nfs/dbraw/zinc/36/43/88/1195364388.db2.gz FPXASJKIIONBKK-KRWDZBQOSA-N 1 0 311.381 3.244 20 10 DGCDRO CC(C)C([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC001650740923 1195377306 /nfs/dbraw/zinc/37/73/06/1195377306.db2.gz BMLUVUKZXXGGOG-UHFFFAOYSA-N 1 0 308.441 3.433 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)CC2CC2)cc1F ZINC001651326305 1195444066 /nfs/dbraw/zinc/44/40/66/1195444066.db2.gz ZXXWHBZBNFPPKA-INIZCTEOSA-N 1 0 308.441 3.170 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CCO)C2CCCC2)cc1F ZINC001651617409 1195486452 /nfs/dbraw/zinc/48/64/52/1195486452.db2.gz NTSPVDHTYJWDTP-INIZCTEOSA-N 1 0 312.404 3.062 20 10 DGCDRO CCCCC1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001651660888 1195492575 /nfs/dbraw/zinc/49/25/75/1195492575.db2.gz HROOYTWNXPJTII-UHFFFAOYSA-N 1 0 319.468 3.390 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc1Cl ZINC001652535110 1195614288 /nfs/dbraw/zinc/61/42/88/1195614288.db2.gz DTGAKNPBPQJEEQ-HNNXBMFYSA-N 1 0 318.804 3.060 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC001652878417 1195665288 /nfs/dbraw/zinc/66/52/88/1195665288.db2.gz KKLOMFKEFNUEIF-LBPRGKRZSA-N 1 0 319.714 3.135 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001653025842 1195681491 /nfs/dbraw/zinc/68/14/91/1195681491.db2.gz OPDAPPGVIXJKRK-KRWDZBQOSA-N 1 0 324.472 3.167 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3cnco3)cc2)c1 ZINC001653208279 1195698918 /nfs/dbraw/zinc/69/89/18/1195698918.db2.gz KWPSEHVSVZDOJT-UHFFFAOYSA-N 1 0 310.353 3.346 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCCC23OCCO3)cc1 ZINC001653246668 1195703459 /nfs/dbraw/zinc/70/34/59/1195703459.db2.gz WFDYNENSTHWBKM-QWNKOJSDSA-N 1 0 316.445 3.041 20 10 DGCDRO CC(C)[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC001655251089 1195896396 /nfs/dbraw/zinc/89/63/96/1195896396.db2.gz MCJKWYSVLUCBMO-AQKVLALTSA-N 1 0 315.505 3.476 20 10 DGCDRO C[C@@H](CN1CCCCC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001655259509 1195896495 /nfs/dbraw/zinc/89/64/95/1195896495.db2.gz LNOMCKMSVFUHOJ-QWPQOLDESA-N 1 0 301.478 3.230 20 10 DGCDRO FC1(F)Oc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2O1 ZINC001655476501 1195922691 /nfs/dbraw/zinc/92/26/91/1195922691.db2.gz IQEWGDGZVJKTRY-UHFFFAOYSA-N 1 0 319.307 3.233 20 10 DGCDRO C[NH+]1CCN(c2ccc(CNc3cc(F)cc(F)c3)cc2)CC1 ZINC001655814258 1195965711 /nfs/dbraw/zinc/96/57/11/1195965711.db2.gz AGBBVENNXPCURC-UHFFFAOYSA-N 1 0 317.383 3.329 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CCOc2ccc(Cl)cn2)cc1F ZINC001655904138 1195975651 /nfs/dbraw/zinc/97/56/51/1195975651.db2.gz RLLKGGZNGULJQN-UHFFFAOYSA-N 1 0 323.799 3.109 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2CCCC(C)(C)C2)cc1 ZINC001656160158 1196011969 /nfs/dbraw/zinc/01/19/69/1196011969.db2.gz UUIOKOITDJIUKZ-FNORWQNLSA-N 1 0 315.505 3.477 20 10 DGCDRO OCC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC2(CCC2)C1 ZINC001656164914 1196012881 /nfs/dbraw/zinc/01/28/81/1196012881.db2.gz QRPUWVULLMAUPG-UHFFFAOYSA-N 1 0 301.430 3.044 20 10 DGCDRO O[C@H]1[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCCC1(F)F ZINC001656429746 1196039601 /nfs/dbraw/zinc/03/96/01/1196039601.db2.gz JOCLEUWTMORTCT-SJORKVTESA-N 1 0 324.415 3.315 20 10 DGCDRO CCN1CCCC[C@@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001656461655 1196042410 /nfs/dbraw/zinc/04/24/10/1196042410.db2.gz CAUSMQDGXWQZDD-IHHMQQGQSA-N 1 0 301.478 3.230 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1Cn1cccn1 ZINC001656489769 1196044347 /nfs/dbraw/zinc/04/43/47/1196044347.db2.gz IZFAIEYVJVSCIQ-ZWKOTPCHSA-N 1 0 311.429 3.218 20 10 DGCDRO CCOCc1cc(C[NH2+]Cc2ccc(O)c(F)c2)ccc1OC ZINC001656583550 1196052314 /nfs/dbraw/zinc/05/23/14/1196052314.db2.gz MLBSNXVBJQIPLN-UHFFFAOYSA-N 1 0 319.376 3.366 20 10 DGCDRO CN(C)c1ccc(CNC2CC[NH+](C3CCCC3)CC2)cc1F ZINC001656679993 1196060701 /nfs/dbraw/zinc/06/07/01/1196060701.db2.gz CFJROFSJSGURDL-UHFFFAOYSA-N 1 0 319.468 3.388 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCN1CCc2ccccc2C1 ZINC001656703205 1196063998 /nfs/dbraw/zinc/06/39/98/1196063998.db2.gz FAFUYFBOOXUCJI-UHFFFAOYSA-N 1 0 316.832 3.194 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](CO)CC(C)(C)C)ccc1OC ZINC001656951879 1196086225 /nfs/dbraw/zinc/08/62/25/1196086225.db2.gz HFFBPBCEFIGCPK-MRXNPFEDSA-N 1 0 309.450 3.118 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1C ZINC001657510202 1196149871 /nfs/dbraw/zinc/14/98/71/1196149871.db2.gz YDHBFDRDBDZGGW-MAUKXSAKSA-N 1 0 302.462 3.356 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1F ZINC001657676724 1196168643 /nfs/dbraw/zinc/16/86/43/1196168643.db2.gz OOKJTLIARUZHPC-SJORKVTESA-N 1 0 306.425 3.065 20 10 DGCDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001657712858 1196171403 /nfs/dbraw/zinc/17/14/03/1196171403.db2.gz KVXXHWZLCDBGRL-UHFFFAOYSA-N 1 0 312.369 3.252 20 10 DGCDRO COc1cc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844199 1196184266 /nfs/dbraw/zinc/18/42/66/1196184266.db2.gz SSTBHPOEJRUJTD-UONOGXRCSA-N 1 0 320.477 3.223 20 10 DGCDRO CCOC(=O)CCCCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC001658022890 1196202427 /nfs/dbraw/zinc/20/24/27/1196202427.db2.gz FRPQGYGARQSAEH-ZDUSSCGKSA-N 1 0 309.406 3.175 20 10 DGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccc(F)c2)N(C)C)cc1 ZINC001658123922 1196214216 /nfs/dbraw/zinc/21/42/16/1196214216.db2.gz XMQLANUXYAMFFW-IBGZPJMESA-N 1 0 315.436 3.284 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2COc3c(C)cccc3C2)c1O ZINC001658261490 1196232572 /nfs/dbraw/zinc/23/25/72/1196232572.db2.gz CWNCHHFTRLYMOG-MRXNPFEDSA-N 1 0 313.397 3.111 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001658298447 1196237870 /nfs/dbraw/zinc/23/78/70/1196237870.db2.gz QZBZNRQKZUVCGN-CQSZACIVSA-N 1 0 310.388 3.121 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)cc1F ZINC001658367089 1196247199 /nfs/dbraw/zinc/24/71/99/1196247199.db2.gz CQBIYNLHTAIMJP-QZTJIDSGSA-N 1 0 306.425 3.329 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC001658648812 1196284082 /nfs/dbraw/zinc/28/40/82/1196284082.db2.gz IWRBLJWFYIDNOT-MOPGFXCFSA-N 1 0 302.462 3.498 20 10 DGCDRO COc1cc(C[NH2+]CC(C)(C)[C@@H](C)O)c(O)c(C(C)(C)C)c1 ZINC001658706776 1196290259 /nfs/dbraw/zinc/29/02/59/1196290259.db2.gz BKUOTXDTXAYBEP-GFCCVEGCSA-N 1 0 309.450 3.195 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)c1 ZINC001658876084 1196313702 /nfs/dbraw/zinc/31/37/02/1196313702.db2.gz WRKCWLBDJUXDSC-HNNXBMFYSA-N 1 0 318.383 3.488 20 10 DGCDRO OC1(C2(C[NH2+]Cc3ccc4c(c3)CCCO4)CCC2)CCC1 ZINC001658897121 1196316132 /nfs/dbraw/zinc/31/61/32/1196316132.db2.gz GLVIAZYECXJWHZ-UHFFFAOYSA-N 1 0 301.430 3.187 20 10 DGCDRO CCc1cc(OC)ccc1C[NH2+]Cc1ccc(OC)cc1O ZINC001658992306 1196329934 /nfs/dbraw/zinc/32/99/34/1196329934.db2.gz FGNLOUIOHKFFGN-UHFFFAOYSA-N 1 0 301.386 3.262 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCN(C)c3ccccc3C2)c1O ZINC001659112932 1196346257 /nfs/dbraw/zinc/34/62/57/1196346257.db2.gz XLBVZCCEBJQBIH-UHFFFAOYSA-N 1 0 312.413 3.161 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2cc3ccccc3[nH]c2=O)c(O)c1 ZINC001659126281 1196349431 /nfs/dbraw/zinc/34/94/31/1196349431.db2.gz BQIRFIJMZCJOIV-UHFFFAOYSA-N 1 0 324.380 3.253 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CCC1 ZINC001659190079 1196357906 /nfs/dbraw/zinc/35/79/06/1196357906.db2.gz DHWZAKHSNXOLEE-UHFFFAOYSA-N 1 0 311.809 3.177 20 10 DGCDRO CCc1cccc(C[NH+]2CCN(Cc3ccsc3)CC2)c1O ZINC001659229006 1196360854 /nfs/dbraw/zinc/36/08/54/1196360854.db2.gz AHRNHQDWUDLGSJ-UHFFFAOYSA-N 1 0 316.470 3.334 20 10 DGCDRO COc1cc(O)c(C[NH2+]C[C@H](C)c2ncc(C)s2)cc1OC ZINC001659373026 1196376462 /nfs/dbraw/zinc/37/64/62/1196376462.db2.gz NMBPKOXBGUYHBE-JTQLQIEISA-N 1 0 322.430 3.068 20 10 DGCDRO CC[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC001659527656 1196391507 /nfs/dbraw/zinc/39/15/07/1196391507.db2.gz JEQLKSARMBRHDJ-NVXWUHKLSA-N 1 0 302.462 3.268 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1F ZINC001659573772 1196396624 /nfs/dbraw/zinc/39/66/24/1196396624.db2.gz MVQPCJQYEJWORM-UHFFFAOYSA-N 1 0 323.751 3.261 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c(O)c1 ZINC001659606120 1196399259 /nfs/dbraw/zinc/39/92/59/1196399259.db2.gz WFPSZTUTZVGLDL-UHFFFAOYSA-N 1 0 317.433 3.362 20 10 DGCDRO COCC[N@H+](Cc1c(C)cc(OC)cc1O)[C@H]1CC[C@@H](C)C1 ZINC001659643911 1196401765 /nfs/dbraw/zinc/40/17/65/1196401765.db2.gz MHZOANUDCPFCNC-HIFRSBDPSA-N 1 0 307.434 3.346 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC001659855674 1196422038 /nfs/dbraw/zinc/42/20/38/1196422038.db2.gz MJJCSCWMGIVHQL-NMBNSIPYSA-N 1 0 302.487 3.451 20 10 DGCDRO Cc1ccc(C[NH2+]Cc2ccc(Br)cn2)c(O)c1 ZINC001659862061 1196423208 /nfs/dbraw/zinc/42/32/08/1196423208.db2.gz JPOMVCVCUZCMEM-UHFFFAOYSA-N 1 0 307.191 3.148 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1F ZINC001659867802 1196423749 /nfs/dbraw/zinc/42/37/49/1196423749.db2.gz HENNMFWPGGWVMW-HNNXBMFYSA-N 1 0 324.415 3.279 20 10 DGCDRO CC(C)([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H](O)c1ccccc1 ZINC001659902018 1196426923 /nfs/dbraw/zinc/42/69/23/1196426923.db2.gz KKDKAUYQTFBPFE-INIZCTEOSA-N 1 0 307.340 3.272 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)c(O)c1 ZINC001659952185 1196431954 /nfs/dbraw/zinc/43/19/54/1196431954.db2.gz LAZMITWHJACKPF-QFBILLFUSA-N 1 0 310.441 3.453 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCCCC23OCCO3)c1 ZINC001660898185 1196540012 /nfs/dbraw/zinc/54/00/12/1196540012.db2.gz JDIXYUSKAYWHEJ-QGZVFWFLSA-N 1 0 305.418 3.291 20 10 DGCDRO Fc1cccc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001661046417 1196558365 /nfs/dbraw/zinc/55/83/65/1196558365.db2.gz DXDVTBRYELQHFF-UHFFFAOYSA-N 1 0 301.361 3.319 20 10 DGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC001661259169 1196589614 /nfs/dbraw/zinc/58/96/14/1196589614.db2.gz DTKKYCWYLVWGCH-IBGZPJMESA-N 1 0 302.462 3.318 20 10 DGCDRO CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001661343343 1196596298 /nfs/dbraw/zinc/59/62/98/1196596298.db2.gz SCCKLGOICURDDM-UHFFFAOYSA-N 1 0 300.805 3.006 20 10 DGCDRO COc1cccc([C@@H](O)C[NH2+]Cc2c(C)c3ccccc3n2C)c1 ZINC001661468106 1196608929 /nfs/dbraw/zinc/60/89/29/1196608929.db2.gz FJNVBXVVVCZWTP-FQEVSTJZSA-N 1 0 324.424 3.319 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+]Cc2c(C)c3ccccc3n2C)c1 ZINC001661468107 1196609148 /nfs/dbraw/zinc/60/91/48/1196609148.db2.gz FJNVBXVVVCZWTP-HXUWFJFHSA-N 1 0 324.424 3.319 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cccnc2OCC(F)F)cc1C ZINC001662125016 1196683557 /nfs/dbraw/zinc/68/35/57/1196683557.db2.gz TXRXAOXKXUXMOT-UHFFFAOYSA-N 1 0 322.355 3.332 20 10 DGCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001662203479 1196694583 /nfs/dbraw/zinc/69/45/83/1196694583.db2.gz BHPCHRUDFWQNJI-ZDUSSCGKSA-N 1 0 320.433 3.014 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOCC23CCCC3)cc1F ZINC001663478527 1196881536 /nfs/dbraw/zinc/88/15/36/1196881536.db2.gz DZIIXCNAWSFXBZ-KRWDZBQOSA-N 1 0 306.425 3.331 20 10 DGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C12CCC2 ZINC001663821123 1196947904 /nfs/dbraw/zinc/94/79/04/1196947904.db2.gz CVSBZEUZMLHIKM-QZTJIDSGSA-N 1 0 319.445 3.489 20 10 DGCDRO CCc1cccc(C[NH2+]C2(CC(=O)OC)CCCCC2)c1O ZINC001664035501 1196966603 /nfs/dbraw/zinc/96/66/03/1196966603.db2.gz DWZLSXHSAVXFIN-UHFFFAOYSA-N 1 0 305.418 3.310 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H](C)c2ncc(C)s2)c(O)c1 ZINC001664210302 1196980122 /nfs/dbraw/zinc/98/01/22/1196980122.db2.gz XPZRUWRIQSDGQM-NSHDSACASA-N 1 0 306.431 3.367 20 10 DGCDRO CCC[C@@]1(CO)CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001664518434 1197009061 /nfs/dbraw/zinc/00/90/61/1197009061.db2.gz FHMOPXZQTPWZGL-WPGJWXSHSA-N 1 0 302.462 3.393 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC001664873492 1197073280 /nfs/dbraw/zinc/07/32/80/1197073280.db2.gz SFOVIAOKPIRQGC-PWYGHMFVSA-N 1 0 324.468 3.301 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC001665293602 1197119305 /nfs/dbraw/zinc/11/93/05/1197119305.db2.gz LUMYMNSBGWJIGO-NRFANRHFSA-N 1 0 323.484 3.425 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC001665857998 1197207853 /nfs/dbraw/zinc/20/78/53/1197207853.db2.gz NEMXFOIXDWBDKJ-KGLIPLIRSA-N 1 0 309.381 3.131 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC(C)(C)C)cc1C ZINC001666855175 1197291534 /nfs/dbraw/zinc/29/15/34/1197291534.db2.gz XHDNQMFKMKSJTP-HNNXBMFYSA-N 1 0 320.477 3.376 20 10 DGCDRO CCC(C)(C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001666983198 1197304845 /nfs/dbraw/zinc/30/48/45/1197304845.db2.gz WAZJGEZZYFFZNA-OAHLLOKOSA-N 1 0 320.477 3.376 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC(=O)N1CCCCC1 ZINC000322661326 1197688202 /nfs/dbraw/zinc/68/82/02/1197688202.db2.gz FYCVAOUACQKONV-CABCVRRESA-N 1 0 316.445 3.241 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(N)cc1 ZINC000382663016 1197705173 /nfs/dbraw/zinc/70/51/73/1197705173.db2.gz JGJZGOUOXQMWJW-KRWDZBQOSA-N 1 0 309.457 3.365 20 10 DGCDRO c1csc(CCC[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC000391182462 1197714456 /nfs/dbraw/zinc/71/44/56/1197714456.db2.gz QSFPJMOSAQCCFJ-UHFFFAOYSA-N 1 0 301.459 3.466 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000315573662 1199807412 /nfs/dbraw/zinc/80/74/12/1199807412.db2.gz PVBWQJMHXDPRAG-LVQVYYBASA-N 1 0 300.446 3.465 20 10 DGCDRO CC1CCC(O)(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000316056175 1199812476 /nfs/dbraw/zinc/81/24/76/1199812476.db2.gz OQEFKYDRSBQDPQ-UHFFFAOYSA-N 1 0 302.462 3.318 20 10 DGCDRO CCC(C)(C)C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001754164738 1200118760 /nfs/dbraw/zinc/11/87/60/1200118760.db2.gz NVUSTJWFVXFWDW-BQYQJAHWSA-N 1 0 318.461 3.202 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C(C)(C)C)cc1C ZINC001754231616 1200143364 /nfs/dbraw/zinc/14/33/64/1200143364.db2.gz NYYAMXKOOFJEFZ-HUUCEWRRSA-N 1 0 320.477 3.280 20 10 DGCDRO CC/C=C(/C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001699647738 1202012221 /nfs/dbraw/zinc/01/22/21/1202012221.db2.gz SPNCTLBLUZRUFS-NSIKDUERSA-N 1 0 316.445 3.098 20 10 DGCDRO CC/C(C)=C/C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001699651340 1202014926 /nfs/dbraw/zinc/01/49/26/1202014926.db2.gz BEIIXXLILSVXTC-GXDHUFHOSA-N 1 0 316.445 3.098 20 10 DGCDRO CC/C(C)=C/C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753612511 1202299639 /nfs/dbraw/zinc/29/96/39/1202299639.db2.gz HFYCVRHJDPRZOV-HNRFISLBSA-N 1 0 318.461 3.202 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(OC)cc2OC)c(O)c1 ZINC000160839906 1202646712 /nfs/dbraw/zinc/64/67/12/1202646712.db2.gz XHJHQQJSRNNOES-UHFFFAOYSA-N 1 0 317.385 3.050 20 10 DGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)C(C)(C)C)cc1C ZINC001714722881 1203108821 /nfs/dbraw/zinc/10/88/21/1203108821.db2.gz SPDFSGAXFIXACF-OAHLLOKOSA-N 1 0 320.477 3.234 20 10 DGCDRO CCC1(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001715679690 1203380174 /nfs/dbraw/zinc/38/01/74/1203380174.db2.gz WDSDGFPVWDGVLC-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C=C2CCC2)cc1C ZINC001716131423 1203442162 /nfs/dbraw/zinc/44/21/62/1203442162.db2.gz OPLDJRJOVMMHJK-OAHLLOKOSA-N 1 0 316.445 3.098 20 10 DGCDRO CCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001725553883 1204167110 /nfs/dbraw/zinc/16/71/10/1204167110.db2.gz DLTXIRIWYWVHBP-DOTOQJQBSA-N 1 0 318.461 3.273 20 10 DGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C(C)C)cc1C ZINC001734224189 1205346608 /nfs/dbraw/zinc/34/66/08/1205346608.db2.gz BFEWHWOHNUNJRT-HNNXBMFYSA-N 1 0 306.450 3.034 20 10 DGCDRO CC[C@@]1(C)C[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169766461 1081651196 /nfs/dbraw/zinc/65/11/96/1081651196.db2.gz RHPSRGGBUICJCT-LPHOPBHVSA-N 1 0 318.461 3.036 20 10 DGCDRO CC(C)OCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691426226 1081651850 /nfs/dbraw/zinc/65/18/50/1081651850.db2.gz HLZOJSNORDDREN-UHFFFAOYSA-N 1 0 302.212 3.059 20 10 DGCDRO CO[C@](C)(C[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000691490851 1081923531 /nfs/dbraw/zinc/92/35/31/1081923531.db2.gz YKDNWERHYZLHPJ-CQSZACIVSA-N 1 0 314.223 3.059 20 10 DGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H](C)C2)cc1C ZINC001167597125 1082584183 /nfs/dbraw/zinc/58/41/83/1082584183.db2.gz QIFAMTSPKRACIX-PBHICJAKSA-N 1 0 318.461 3.036 20 10 DGCDRO COc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c(OC)c1F ZINC001167626325 1082621823 /nfs/dbraw/zinc/62/18/23/1082621823.db2.gz GKIZJVFVAFCRCA-UHFFFAOYSA-N 1 0 310.413 3.328 20 10 DGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)C(C)C)cc1C ZINC001267378413 1082848603 /nfs/dbraw/zinc/84/86/03/1082848603.db2.gz SJFIHNKIZAJSGQ-UHFFFAOYSA-N 1 0 320.477 3.234 20 10 DGCDRO Cc1c(O)ccc(C[N@H+](C)CCC(=O)c2cccs2)c1O ZINC001140747544 1082959319 /nfs/dbraw/zinc/95/93/19/1082959319.db2.gz FGWQNZIEDKYKKG-UHFFFAOYSA-N 1 0 305.399 3.173 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)C)cc1C ZINC001133764574 1083190760 /nfs/dbraw/zinc/19/07/60/1083190760.db2.gz JBYJKMMXPQVDFZ-GJZGRUSLSA-N 1 0 306.450 3.033 20 10 DGCDRO CC[C@@H](CNC(=O)C(C)(C)CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267815856 1083370385 /nfs/dbraw/zinc/37/03/85/1083370385.db2.gz AHBRIZGWMAQBEN-INIZCTEOSA-N 1 0 320.477 3.424 20 10 DGCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001181590618 1083497224 /nfs/dbraw/zinc/49/72/24/1083497224.db2.gz OSOBWCAAKBJRBL-KRWDZBQOSA-N 1 0 318.461 3.396 20 10 DGCDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001182173846 1083627751 /nfs/dbraw/zinc/62/77/51/1083627751.db2.gz MCCCTHFDWZLDHY-MRXNPFEDSA-N 1 0 320.433 3.226 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001204326272 1083648341 /nfs/dbraw/zinc/64/83/41/1083648341.db2.gz WRSCQRRYCWRBDL-IBGZPJMESA-N 1 0 300.446 3.432 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC001182977492 1083857424 /nfs/dbraw/zinc/85/74/24/1083857424.db2.gz FKHRTOASNXCKOU-CQSZACIVSA-N 1 0 318.461 3.252 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c(O)c1 ZINC001183822782 1084046454 /nfs/dbraw/zinc/04/64/54/1084046454.db2.gz MGAKGUWLWKMQPJ-AWEZNQCLSA-N 1 0 305.418 3.148 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C=C2CCC2)cc1C ZINC001268059764 1084068433 /nfs/dbraw/zinc/06/84/33/1084068433.db2.gz CQAKVNVGLFUOQC-HNNXBMFYSA-N 1 0 316.445 3.050 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)cc1C ZINC001474169514 1126202285 /nfs/dbraw/zinc/20/22/85/1126202285.db2.gz KEGGPIJGDWINAK-LJQANCHMSA-N 1 0 313.441 3.314 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)C(C)(C)C)C2CC2)cc1C ZINC001269141196 1085156441 /nfs/dbraw/zinc/15/64/41/1085156441.db2.gz ZJMDQHHCNHKYBP-INIZCTEOSA-N 1 0 318.461 3.034 20 10 DGCDRO CCc1cccc(C[NH2+][C@](C)(CO)Cc2ccccc2F)c1O ZINC001560954338 1126214248 /nfs/dbraw/zinc/21/42/48/1126214248.db2.gz NFXASIJXCFAFIX-IBGZPJMESA-N 1 0 317.404 3.177 20 10 DGCDRO CCCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001270672981 1085941207 /nfs/dbraw/zinc/94/12/07/1085941207.db2.gz UMOILKYYSCWHFV-LJQANCHMSA-N 1 0 318.461 3.132 20 10 DGCDRO Cc1ccc2c(NCCc3cc(O)c(O)cc3O)cc[nH+]c2c1 ZINC001168016964 1086309588 /nfs/dbraw/zinc/30/95/88/1086309588.db2.gz QIKSSKQPRAEEKO-UHFFFAOYSA-N 1 0 310.353 3.315 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](C)(CO)C2)cc1F ZINC000093340750 1087087469 /nfs/dbraw/zinc/08/74/69/1087087469.db2.gz UOHSCFNUHNTPIU-GOSISDBHSA-N 1 0 308.441 3.266 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC(C)(C)C)cc1C ZINC001482809350 1087162509 /nfs/dbraw/zinc/16/25/09/1087162509.db2.gz CTBWCUKPPRZCIM-HNNXBMFYSA-N 1 0 320.477 3.424 20 10 DGCDRO Nc1ccc(OC(=O)c2ccc(NC=C3CC[NH2+]CC3)cc2)cc1 ZINC001159766312 1088477871 /nfs/dbraw/zinc/47/78/71/1088477871.db2.gz GHAFWDLTPBHBEH-UHFFFAOYSA-N 1 0 323.396 3.167 20 10 DGCDRO CCN(Cc1ccccc1O)c1ccc(C[NH+]2CCCC2)cn1 ZINC001154888487 1088810677 /nfs/dbraw/zinc/81/06/77/1088810677.db2.gz FPCQTPRBXNAEJA-UHFFFAOYSA-N 1 0 311.429 3.410 20 10 DGCDRO COc1c(C(C)(C)C)cc(N(CC[NH3+])CCO)cc1C(C)(C)C ZINC001163836751 1090269770 /nfs/dbraw/zinc/26/97/70/1090269770.db2.gz IMZRSEVTYIBSKR-UHFFFAOYSA-N 1 0 322.493 3.048 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@]1(C)O ZINC001237121374 1090286249 /nfs/dbraw/zinc/28/62/49/1090286249.db2.gz LPLWUWCADXRFFB-BMIGLBTASA-N 1 0 301.789 3.168 20 10 DGCDRO COc1ccccc1[C@@H](O)C[N@H+](Cc1ccccc1O)C(C)C ZINC001203558457 1090613397 /nfs/dbraw/zinc/61/33/97/1090613397.db2.gz HTANVMVZHVDPRJ-SFHVURJKSA-N 1 0 315.413 3.345 20 10 DGCDRO C[C@@H](CCNCc1ccc(N(C)C)cc1C(F)(F)F)[NH+](C)C ZINC001203270797 1090711098 /nfs/dbraw/zinc/71/10/98/1090711098.db2.gz OSLPAIHATFDGKF-LBPRGKRZSA-N 1 0 317.399 3.201 20 10 DGCDRO Oc1ccccc1C[NH+]1C[C@H]2CN(Cc3cccs3)C[C@@H]2C1 ZINC001203551701 1090754612 /nfs/dbraw/zinc/75/46/12/1090754612.db2.gz KYFPMYVGDGCKSD-HOTGVXAUSA-N 1 0 314.454 3.018 20 10 DGCDRO CC1(C)[N@H+](Cc2ccccc2O)CC[C@]12c1ccccc1OC2=O ZINC001203560906 1090756371 /nfs/dbraw/zinc/75/63/71/1090756371.db2.gz KGECHANOYHBXGN-HXUWFJFHSA-N 1 0 323.392 3.234 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001203561652 1090756614 /nfs/dbraw/zinc/75/66/14/1090756614.db2.gz XRLRTYHJLLEOQB-HKUYNNGSSA-N 1 0 308.425 3.099 20 10 DGCDRO O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC001203560873 1090756802 /nfs/dbraw/zinc/75/68/02/1090756802.db2.gz IRRULKABHMLEKB-QGZVFWFLSA-N 1 0 322.408 3.013 20 10 DGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1O ZINC001203601573 1090765611 /nfs/dbraw/zinc/76/56/11/1090765611.db2.gz AVBLXRDFVPJIQI-MRXNPFEDSA-N 1 0 311.381 3.106 20 10 DGCDRO CCCCCC[NH+]1CCN(Cc2ccc(OC)cc2O)CC1 ZINC001203627545 1090769126 /nfs/dbraw/zinc/76/91/26/1090769126.db2.gz IERUHQUSEZZEKZ-UHFFFAOYSA-N 1 0 306.450 3.099 20 10 DGCDRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001203634366 1090769992 /nfs/dbraw/zinc/76/99/92/1090769992.db2.gz BJIAQJBHPGBBNQ-MRXNPFEDSA-N 1 0 311.381 3.106 20 10 DGCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203648773 1090772460 /nfs/dbraw/zinc/77/24/60/1090772460.db2.gz UBJAZMVMZQUASA-CYBMUJFWSA-N 1 0 324.852 3.126 20 10 DGCDRO CC(C)c1nc(CC[N@H+](C)Cc2cc(Cl)ccc2O)no1 ZINC001203651224 1090773377 /nfs/dbraw/zinc/77/33/77/1090773377.db2.gz LASYOLXVWCLEKS-UHFFFAOYSA-N 1 0 309.797 3.227 20 10 DGCDRO C[N@H+](Cc1cncs1)Cc1cc(Br)ccc1O ZINC001203650519 1090773663 /nfs/dbraw/zinc/77/36/63/1090773663.db2.gz VXNRACVGKVDJIS-UHFFFAOYSA-N 1 0 313.220 3.243 20 10 DGCDRO CCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001486189983 1090783126 /nfs/dbraw/zinc/78/31/26/1090783126.db2.gz FOTIVJGYBFMZGV-IAGOWNOFSA-N 1 0 318.461 3.178 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)cc1 ZINC001203930232 1090841497 /nfs/dbraw/zinc/84/14/97/1090841497.db2.gz OTNGGNSWUXZYKM-MRXNPFEDSA-N 1 0 320.433 3.279 20 10 DGCDRO C/C=C(\C)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001486459079 1090842439 /nfs/dbraw/zinc/84/24/39/1090842439.db2.gz JPFJCXLAZCWTDG-AWNIVKPZSA-N 1 0 316.445 3.049 20 10 DGCDRO CCN(CC)c1ccc(CN2[C@@H](C(=O)OC)[C@@H]3CC[C@H]2C3)cc1 ZINC001203943409 1090847467 /nfs/dbraw/zinc/84/74/67/1090847467.db2.gz ADBTVVSADQNXAL-BPQIPLTHSA-N 1 0 316.445 3.059 20 10 DGCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC001204098864 1090902326 /nfs/dbraw/zinc/90/23/26/1090902326.db2.gz LSBAWIFDSUSVEN-UHFFFAOYSA-N 1 0 312.413 3.113 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@@]1(C)O ZINC001204233587 1090930224 /nfs/dbraw/zinc/93/02/24/1090930224.db2.gz RWJAFLJZHGTVHL-FOIQADDNSA-N 1 0 312.457 3.499 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCc3c(cnn3C)C2)c2ccccc21 ZINC001204240271 1090931558 /nfs/dbraw/zinc/93/15/58/1090931558.db2.gz MYTIVNMREDPBTQ-UHFFFAOYSA-N 1 0 320.440 3.198 20 10 DGCDRO CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)c4ccccc34)C[C@@H]2C1 ZINC001204241015 1090932141 /nfs/dbraw/zinc/93/21/41/1090932141.db2.gz RIBSYOHEFXLEPW-HDICACEKSA-N 1 0 323.484 3.289 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1O ZINC001143103488 1090934730 /nfs/dbraw/zinc/93/47/30/1090934730.db2.gz DQVLTDSCHGDPLL-ZDUSSCGKSA-N 1 0 313.388 3.139 20 10 DGCDRO Oc1ccc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c(O)c1 ZINC001204275453 1090938116 /nfs/dbraw/zinc/93/81/16/1090938116.db2.gz QMGMFXFKZPMWAW-UHFFFAOYSA-N 1 0 317.360 3.280 20 10 DGCDRO COc1cccc(CCC[N@H+](C)Cc2ccc(O)cc2O)c1 ZINC001204279983 1090939186 /nfs/dbraw/zinc/93/91/86/1090939186.db2.gz HJVIDNSLBDTICC-UHFFFAOYSA-N 1 0 301.386 3.171 20 10 DGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204323005 1090949290 /nfs/dbraw/zinc/94/92/90/1090949290.db2.gz YUWAJDYKVFIPNC-IBGZPJMESA-N 1 0 316.445 3.062 20 10 DGCDRO c1cncc(O[C@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC001204327027 1090949579 /nfs/dbraw/zinc/94/95/79/1090949579.db2.gz LSCLKVMLYFZPFD-FQEVSTJZSA-N 1 0 323.440 3.335 20 10 DGCDRO COc1cc(C[N@@H+]2CCCC3(CC(F)C3)CC2)cc(O)c1O ZINC001204344816 1090952589 /nfs/dbraw/zinc/95/25/89/1090952589.db2.gz DTIXQJKHVPJLKU-UHFFFAOYSA-N 1 0 309.381 3.211 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc(O)c1O ZINC001204345154 1090952732 /nfs/dbraw/zinc/95/27/32/1090952732.db2.gz IHDHTVLSJYBBSI-CQSZACIVSA-N 1 0 317.360 3.235 20 10 DGCDRO CCc1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1O ZINC001205053139 1091091713 /nfs/dbraw/zinc/09/17/13/1091091713.db2.gz RAVAVAAIQYWCFL-UHFFFAOYSA-N 1 0 314.404 3.416 20 10 DGCDRO CN1CC[NH+](C2(c3ccc(Nc4ccc(N)cc4)cc3)CC2)CC1 ZINC001205113383 1091105412 /nfs/dbraw/zinc/10/54/12/1091105412.db2.gz JTAUKHNKVLLKFN-UHFFFAOYSA-N 1 0 322.456 3.249 20 10 DGCDRO CC[N@H+](CCCC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC001138215723 1091118758 /nfs/dbraw/zinc/11/87/58/1091118758.db2.gz RDOXXULZCVHYAE-UHFFFAOYSA-N 1 0 318.461 3.452 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CCC([NH+]2CCC2)CC1 ZINC001138222405 1091119745 /nfs/dbraw/zinc/11/97/45/1091119745.db2.gz WLIZPAWJVOVYHT-UHFFFAOYSA-N 1 0 313.489 3.347 20 10 DGCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138258288 1091127702 /nfs/dbraw/zinc/12/77/02/1091127702.db2.gz OMNRRYDBUFVRCD-OAHLLOKOSA-N 1 0 314.429 3.262 20 10 DGCDRO Oc1c(C[N@@H+]2CCC[C@@H](CF)C2)cc2c3c1CCCN3CCC2 ZINC001138336840 1091145576 /nfs/dbraw/zinc/14/55/76/1091145576.db2.gz FZSIKIVPWARKHU-AWEZNQCLSA-N 1 0 318.436 3.273 20 10 DGCDRO C[N@H+](CCC1CC1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138340299 1091147337 /nfs/dbraw/zinc/14/73/37/1091147337.db2.gz SRYMLSUEVBSJLN-UHFFFAOYSA-N 1 0 300.446 3.323 20 10 DGCDRO C[C@H]1C[C@H]2C[N@H+](Cc3ccc4c(c3)CCCN4C)CC[C@H]2O1 ZINC001138354958 1091150302 /nfs/dbraw/zinc/15/03/02/1091150302.db2.gz DWQDUZQXCTXCPA-UCLAIMLFSA-N 1 0 300.446 3.068 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)ccc21 ZINC001138356121 1091150695 /nfs/dbraw/zinc/15/06/95/1091150695.db2.gz IEDBXVXOYDLBLT-LJQANCHMSA-N 1 0 323.440 3.117 20 10 DGCDRO CCC[N@H+](Cc1ccc2c(c1)CCCN2C)C1CCOCC1 ZINC001138359598 1091152554 /nfs/dbraw/zinc/15/25/54/1091152554.db2.gz VJSRCZLCLSBQJR-UHFFFAOYSA-N 1 0 302.462 3.460 20 10 DGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@H]3c3cnccn3)ccc21 ZINC001138357770 1091152825 /nfs/dbraw/zinc/15/28/25/1091152825.db2.gz JUAIXODQLTZYJQ-IBGZPJMESA-N 1 0 308.429 3.196 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c(OC)c1 ZINC001138386475 1091161211 /nfs/dbraw/zinc/16/12/11/1091161211.db2.gz NYUDDHGUMDGXFC-CVEARBPZSA-N 1 0 320.477 3.134 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(OC)c1 ZINC001138389211 1091163066 /nfs/dbraw/zinc/16/30/66/1091163066.db2.gz FOMBMNUIMGFNCL-IRXDYDNUSA-N 1 0 318.461 3.010 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(OC)c1 ZINC001138390435 1091166133 /nfs/dbraw/zinc/16/61/33/1091166133.db2.gz WZQQUAWHVCQKMF-AEFFLSMTSA-N 1 0 318.461 3.152 20 10 DGCDRO CCN(CC)c1ccc(CN2C[C@H](C)CC[C@H]2C[NH3+])c(OC)c1 ZINC001205817755 1091364672 /nfs/dbraw/zinc/36/46/72/1091364672.db2.gz QVTJELFZFYCFNG-QAPCUYQASA-N 1 0 319.493 3.101 20 10 DGCDRO CC[C@H]([NH3+])Cc1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001205836985 1091374076 /nfs/dbraw/zinc/37/40/76/1091374076.db2.gz KMHXRUDWUMDNLZ-HNNXBMFYSA-N 1 0 310.401 3.424 20 10 DGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001139124535 1091456540 /nfs/dbraw/zinc/45/65/40/1091456540.db2.gz BTWFWOOMRVRSOP-UONOGXRCSA-N 1 0 313.397 3.429 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]([NH3+])CC(F)(F)C2)cc1 ZINC001206117693 1091499637 /nfs/dbraw/zinc/49/96/37/1091499637.db2.gz ULTKTKSOXXCCON-MRXNPFEDSA-N 1 0 319.399 3.262 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCCC2)nc1)Cc1ccccc1O ZINC001139345589 1091527024 /nfs/dbraw/zinc/52/70/24/1091527024.db2.gz RZORXOCHURSSBG-UHFFFAOYSA-N 1 0 311.429 3.410 20 10 DGCDRO C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001206326868 1091580627 /nfs/dbraw/zinc/58/06/27/1091580627.db2.gz PYFAYILUERRHGB-HNNXBMFYSA-N 1 0 316.367 3.362 20 10 DGCDRO CN(C)c1ccc(CN2CCCC[C@](F)(C[NH3+])C2)c(Cl)c1 ZINC001206352090 1091591710 /nfs/dbraw/zinc/59/17/10/1091591710.db2.gz OAPWUKYJYARKIG-INIZCTEOSA-N 1 0 313.848 3.059 20 10 DGCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001206444885 1091633706 /nfs/dbraw/zinc/63/37/06/1091633706.db2.gz LPCFOEIKTGHERD-IAGOWNOFSA-N 1 0 318.367 3.069 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)ccc1N(C)C ZINC001139671654 1091637395 /nfs/dbraw/zinc/63/73/95/1091637395.db2.gz NDWSARNELWEYRK-LEWJYISDSA-N 1 0 324.468 3.239 20 10 DGCDRO Cc1ccnn1C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139674175 1091640031 /nfs/dbraw/zinc/64/00/31/1091640031.db2.gz SWHBPFQZLMBFLP-UHFFFAOYSA-N 1 0 312.461 3.403 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CCc2ccnc3ccccc23)c1 ZINC001206613070 1091688935 /nfs/dbraw/zinc/68/89/35/1091688935.db2.gz QXRYSBIXEXUVEN-UHFFFAOYSA-N 1 0 308.381 3.281 20 10 DGCDRO Oc1cc(Br)ccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000691405430 1091739044 /nfs/dbraw/zinc/73/90/44/1091739044.db2.gz UNUXHTVQYFPQAI-NSHDSACASA-N 1 0 314.223 3.061 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001140056057 1091750991 /nfs/dbraw/zinc/75/09/91/1091750991.db2.gz GLVLHWFRBULIJL-HZPDHXFCSA-N 1 0 312.388 3.100 20 10 DGCDRO Oc1ccc(F)cc1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001140055454 1091751622 /nfs/dbraw/zinc/75/16/22/1091751622.db2.gz ZRDMWTPUKGNXND-UHFFFAOYSA-N 1 0 316.376 3.108 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001140055688 1091752798 /nfs/dbraw/zinc/75/27/98/1091752798.db2.gz PLGFIPCBEBKKSV-AWEZNQCLSA-N 1 0 323.314 3.463 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCN(c3ncccc3C)CC2)c1O ZINC001140178525 1091791357 /nfs/dbraw/zinc/79/13/57/1091791357.db2.gz NLWAQYOAPBKMRW-UHFFFAOYSA-N 1 0 311.429 3.035 20 10 DGCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179554 1091791394 /nfs/dbraw/zinc/79/13/94/1091791394.db2.gz FKGAEABTVXRJNE-MRXNPFEDSA-N 1 0 318.461 3.089 20 10 DGCDRO Cc1ccc(C)c(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1O ZINC001140178225 1091791952 /nfs/dbraw/zinc/79/19/52/1091791952.db2.gz DCGKMVIGVUMYHT-UHFFFAOYSA-N 1 0 312.413 3.037 20 10 DGCDRO Cc1cccc(O[C@H]2CC[N@H+](Cc3c(C)ccc(C)c3O)C2)n1 ZINC001140184998 1091795188 /nfs/dbraw/zinc/79/51/88/1091795188.db2.gz NTXISECWOABXJZ-INIZCTEOSA-N 1 0 312.413 3.366 20 10 DGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1C ZINC001140184853 1091795624 /nfs/dbraw/zinc/79/56/24/1091795624.db2.gz IKTOUJSHEWQWBA-HOTGVXAUSA-N 1 0 319.445 3.420 20 10 DGCDRO C[N@H+](CCc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140281889 1091815170 /nfs/dbraw/zinc/81/51/70/1091815170.db2.gz SASWHEDCCDFCKW-UHFFFAOYSA-N 1 0 324.468 3.322 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CC4CCC3CC4)cc2)CC1 ZINC001140284969 1091817372 /nfs/dbraw/zinc/81/73/72/1091817372.db2.gz AQLFBFSDLQYEML-UHFFFAOYSA-N 1 0 300.446 3.022 20 10 DGCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]1Cc2ccccc2O1 ZINC001140342576 1091836146 /nfs/dbraw/zinc/83/61/46/1091836146.db2.gz PQNCMZMPZVBYTC-ZDUSSCGKSA-N 1 0 303.789 3.481 20 10 DGCDRO Oc1cccc(Cl)c1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001140345826 1091836736 /nfs/dbraw/zinc/83/67/36/1091836736.db2.gz ZQEIRXKVGSFNNM-CQSZACIVSA-N 1 0 308.853 3.496 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001140462630 1091875968 /nfs/dbraw/zinc/87/59/68/1091875968.db2.gz JQJDHYQQJLYGLG-UHFFFAOYSA-N 1 0 317.763 3.436 20 10 DGCDRO CCC(=O)N(CC)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464333 1091876850 /nfs/dbraw/zinc/87/68/50/1091876850.db2.gz LOTBJFFJSIRUNE-UHFFFAOYSA-N 1 0 324.852 3.269 20 10 DGCDRO Cc1ccc(N2CCN(Cc3ccc(Cl)cc3O)CC2)nc1 ZINC001140466184 1091878473 /nfs/dbraw/zinc/87/84/73/1091878473.db2.gz AJNVCRXDRLLQOR-UHFFFAOYSA-N 1 0 317.820 3.071 20 10 DGCDRO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O)N1CCCC1 ZINC001140467583 1091878563 /nfs/dbraw/zinc/87/85/63/1091878563.db2.gz YKPIAUWMJSXBJN-HNNXBMFYSA-N 1 0 322.836 3.023 20 10 DGCDRO Cn1cc(C[N@@H+]2Cc3cccc(O)c3C2)c(-c2ccc(F)cc2)n1 ZINC001207242938 1091898597 /nfs/dbraw/zinc/89/85/97/1091898597.db2.gz GWMLKKSSRHVRJN-UHFFFAOYSA-N 1 0 323.371 3.448 20 10 DGCDRO COc1ccc(CC[N@H+](C)Cc2cc(C)ccc2O)cc1OC ZINC001140617661 1091933379 /nfs/dbraw/zinc/93/33/79/1091933379.db2.gz VFZUTMSFGDXRMY-UHFFFAOYSA-N 1 0 315.413 3.392 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c1 ZINC001140623136 1091935314 /nfs/dbraw/zinc/93/53/14/1091935314.db2.gz GZKZCNYDVCVQMQ-LJQANCHMSA-N 1 0 308.425 3.116 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccc(O)c(C)c2O)cc(OC)c1 ZINC001140745371 1091983267 /nfs/dbraw/zinc/98/32/67/1091983267.db2.gz HKEATXLCXVHAHW-UHFFFAOYSA-N 1 0 317.385 3.055 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c1O ZINC001140745577 1091983668 /nfs/dbraw/zinc/98/36/68/1091983668.db2.gz KZDHMLLPAFJIAR-KRWDZBQOSA-N 1 0 313.397 3.197 20 10 DGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c1O ZINC001140743963 1091983865 /nfs/dbraw/zinc/98/38/65/1091983865.db2.gz GOLQTTQWHXVDRM-CYBMUJFWSA-N 1 0 307.287 3.130 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(O)c1 ZINC001140850028 1092028817 /nfs/dbraw/zinc/02/88/17/1092028817.db2.gz AVXORAOBXSFHDA-HIFRSBDPSA-N 1 0 310.388 3.325 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)c(O)c1 ZINC001140850492 1092028985 /nfs/dbraw/zinc/02/89/85/1092028985.db2.gz MYCQZQOOJNOUQE-AWEZNQCLSA-N 1 0 304.434 3.039 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c(O)c1 ZINC001140851044 1092029249 /nfs/dbraw/zinc/02/92/49/1092029249.db2.gz ZBKATQMDNGBIPI-KXBFYZLASA-N 1 0 318.461 3.239 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3ncccc3C2)c(O)c1 ZINC001140855214 1092030905 /nfs/dbraw/zinc/03/09/05/1092030905.db2.gz RSLJSXBKPNAXKE-UHFFFAOYSA-N 1 0 311.429 3.192 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2ccnn2-c2ccccc2)c1O ZINC001207588277 1092031294 /nfs/dbraw/zinc/03/12/94/1092031294.db2.gz GHYSLCPUMWENQX-UHFFFAOYSA-N 1 0 321.424 3.473 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001140922192 1092062335 /nfs/dbraw/zinc/06/23/35/1092062335.db2.gz JTUQUKNTFWMOHR-GUYCJALGSA-N 1 0 308.853 3.407 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(Cl)c1 ZINC001140922557 1092063137 /nfs/dbraw/zinc/06/31/37/1092063137.db2.gz ULPPDXNRFLAAQB-KRWDZBQOSA-N 1 0 308.853 3.409 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c(Cl)c1 ZINC001140921928 1092063242 /nfs/dbraw/zinc/06/32/42/1092063242.db2.gz WFMBKTOOQVCDBL-INIZCTEOSA-N 1 0 314.832 3.093 20 10 DGCDRO CN(C)c1ccc(CN2CCC([NH+]3CCC3)CC2)c(Cl)c1 ZINC001140926579 1092066587 /nfs/dbraw/zinc/06/65/87/1092066587.db2.gz ORTJNABHJAADAE-UHFFFAOYSA-N 1 0 307.869 3.076 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1 ZINC001207700174 1092073258 /nfs/dbraw/zinc/07/32/58/1092073258.db2.gz LYWSGEBTZZDVFC-QGZVFWFLSA-N 1 0 319.445 3.333 20 10 DGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140949503 1092074175 /nfs/dbraw/zinc/07/41/75/1092074175.db2.gz CEWUFFUONCXTBK-HNNXBMFYSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c(O)c1 ZINC001140949978 1092075209 /nfs/dbraw/zinc/07/52/09/1092075209.db2.gz PFSZJOPOGPOKOS-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(O)c1 ZINC001140951058 1092076516 /nfs/dbraw/zinc/07/65/16/1092076516.db2.gz WVBHHRAYOZKFRG-OALUTQOASA-N 1 0 308.425 3.159 20 10 DGCDRO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c(O)c1 ZINC001140951105 1092077772 /nfs/dbraw/zinc/07/77/72/1092077772.db2.gz ZDCHZOUFTOXGBI-ICSRJNTNSA-N 1 0 322.452 3.407 20 10 DGCDRO CCc1nc(C2CC[NH+](Cc3ccc(C)cc3O)CC2)no1 ZINC001140957662 1092081073 /nfs/dbraw/zinc/08/10/73/1092081073.db2.gz HPIGCMSIGMRCSY-UHFFFAOYSA-N 1 0 301.390 3.026 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(OC)c1 ZINC001141026900 1092111489 /nfs/dbraw/zinc/11/14/89/1092111489.db2.gz HHWRBEKVHDIHGL-JTQLQIEISA-N 1 0 319.323 3.184 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCc2ccc(F)cc2)c(OC)c1 ZINC001141028597 1092111521 /nfs/dbraw/zinc/11/15/21/1092111521.db2.gz WOWDAZNUWQEDAO-UHFFFAOYSA-N 1 0 319.376 3.223 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)[C@@H](C)C1 ZINC001141079269 1092131052 /nfs/dbraw/zinc/13/10/52/1092131052.db2.gz ZPGLRYNLJGQNQL-KXBFYZLASA-N 1 0 314.473 3.385 20 10 DGCDRO O=C1CCC[C@@H]2C[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]12 ZINC001141079132 1092131321 /nfs/dbraw/zinc/13/13/21/1092131321.db2.gz UMACMGGXNQQFNI-RTBURBONSA-N 1 0 324.468 3.186 20 10 DGCDRO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078205 1092131519 /nfs/dbraw/zinc/13/15/19/1092131519.db2.gz OZHLLQHUFBQXHL-LJQANCHMSA-N 1 0 312.457 3.329 20 10 DGCDRO COc1ccc(N2CC[NH+](CCCc3ccc(C)o3)CC2)cc1 ZINC001207937102 1092149647 /nfs/dbraw/zinc/14/96/47/1092149647.db2.gz GLFCBHZUBVQZBD-UHFFFAOYSA-N 1 0 314.429 3.351 20 10 DGCDRO Oc1ccc(O)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001141157384 1092156254 /nfs/dbraw/zinc/15/62/54/1092156254.db2.gz GTWSMYZVZJRPRI-UHFFFAOYSA-N 1 0 318.804 3.073 20 10 DGCDRO COc1cccc(CCC[N@H+](C)Cc2cc(O)ccc2O)c1 ZINC001141161427 1092157446 /nfs/dbraw/zinc/15/74/46/1092157446.db2.gz RNRPRXMNEFOKIR-UHFFFAOYSA-N 1 0 301.386 3.171 20 10 DGCDRO CCOc1ccc(N2CC[NH+](CC[C@H](C)SC)CC2)cc1 ZINC001208147163 1092219731 /nfs/dbraw/zinc/21/97/31/1092219731.db2.gz GBQTXLBBUSIGAJ-HNNXBMFYSA-N 1 0 308.491 3.349 20 10 DGCDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001168819988 1092397196 /nfs/dbraw/zinc/39/71/96/1092397196.db2.gz XABWROMBTCSVEX-IHRRRGAJSA-N 1 0 320.433 3.441 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@](O)(CF)C2)c1O ZINC001143104080 1092614914 /nfs/dbraw/zinc/61/49/14/1092614914.db2.gz PBVLXDUHVYERBT-SFHVURJKSA-N 1 0 309.425 3.376 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143103439 1092615074 /nfs/dbraw/zinc/61/50/74/1092615074.db2.gz DIUZGDAYZVDURU-CQSZACIVSA-N 1 0 305.418 3.075 20 10 DGCDRO C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111881 1092616599 /nfs/dbraw/zinc/61/65/99/1092616599.db2.gz HJIWCTRVPLPZIC-LJQANCHMSA-N 1 0 302.462 3.217 20 10 DGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC3(C2)OCCO3)c1O ZINC001143112866 1092617930 /nfs/dbraw/zinc/61/79/30/1092617930.db2.gz ZWSCBOXIUIGQHW-UHFFFAOYSA-N 1 0 305.418 3.029 20 10 DGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143116442 1092618873 /nfs/dbraw/zinc/61/88/73/1092618873.db2.gz BLKAKXUKKFTJEE-CQSZACIVSA-N 1 0 319.445 3.465 20 10 DGCDRO CCC[C@H](CC)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169435176 1092696882 /nfs/dbraw/zinc/69/68/82/1092696882.db2.gz RRGIJXVGWSAAMV-KRWDZBQOSA-N 1 0 320.477 3.426 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+](C)CCC(=O)N(C)C)cc1 ZINC001209519678 1092807087 /nfs/dbraw/zinc/80/70/87/1092807087.db2.gz DQYTUSQADHODRT-UHFFFAOYSA-N 1 0 313.445 3.004 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC3(CN(C)C3)C2)cc1 ZINC001209520493 1092808118 /nfs/dbraw/zinc/80/81/18/1092808118.db2.gz ZHFRFAFKLXVVRO-UHFFFAOYSA-N 1 0 309.457 3.232 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+](C)CCC2OCCO2)cc1 ZINC001209520419 1092808464 /nfs/dbraw/zinc/80/84/64/1092808464.db2.gz VMJPJTJJUBFVMS-UHFFFAOYSA-N 1 0 314.429 3.289 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210227309 1093084820 /nfs/dbraw/zinc/08/48/20/1093084820.db2.gz MTOIJCPLGOOBLW-OAHLLOKOSA-N 1 0 320.795 3.331 20 10 DGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCCCCC[NH3+] ZINC000403803589 1094184238 /nfs/dbraw/zinc/18/42/38/1094184238.db2.gz AVRSSYLRSQQQIA-UHFFFAOYSA-N 1 0 319.493 3.400 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)CC(C)(C)C)cc1C ZINC001134797914 1094294882 /nfs/dbraw/zinc/29/48/82/1094294882.db2.gz VSFQCNQAJSVISX-OAHLLOKOSA-N 1 0 320.477 3.282 20 10 DGCDRO CCC(CC)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134882648 1094323668 /nfs/dbraw/zinc/32/36/68/1094323668.db2.gz SPAFQZLCWFRDMH-GOSISDBHSA-N 1 0 319.493 3.298 20 10 DGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(N)cc2)cc1OC ZINC001120262744 1094397474 /nfs/dbraw/zinc/39/74/74/1094397474.db2.gz CDBUBFHZCSCUOF-UHFFFAOYSA-N 1 0 300.402 3.308 20 10 DGCDRO Cc1ccc2c(c1)[C@H](Oc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001217960345 1094530752 /nfs/dbraw/zinc/53/07/52/1094530752.db2.gz LRAZJZNPDHOVNC-HXUWFJFHSA-N 1 0 308.425 3.471 20 10 DGCDRO Oc1ccc(CC[NH2+][C@H]2CCc3cccc(Cl)c3C2)cc1O ZINC001170896946 1094896447 /nfs/dbraw/zinc/89/64/47/1094896447.db2.gz KVGVRQAPFOYHNO-AWEZNQCLSA-N 1 0 317.816 3.441 20 10 DGCDRO Nc1ccc(N(Cc2ccccc2)C(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC001218954893 1094914326 /nfs/dbraw/zinc/91/43/26/1094914326.db2.gz GXSTVRVKBPJBPW-QGZVFWFLSA-N 1 0 323.440 3.192 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2c(Br)cnn2C)c1 ZINC000693431369 1094992812 /nfs/dbraw/zinc/99/28/12/1094992812.db2.gz MVHXDPQKQYCHOA-SNVBAGLBSA-N 1 0 324.222 3.047 20 10 DGCDRO C[C@@]1([NH3+])C[C@H](NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)C1 ZINC001221240797 1095221059 /nfs/dbraw/zinc/22/10/59/1095221059.db2.gz BZWQZSBPOKIVQJ-IZZZWSMWSA-N 1 0 324.384 3.417 20 10 DGCDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222166647 1095471270 /nfs/dbraw/zinc/47/12/70/1095471270.db2.gz ATZYPKIETVJQDZ-SFHVURJKSA-N 1 0 324.415 3.416 20 10 DGCDRO c1cc(N2CCCCC2)ccc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222244076 1095507980 /nfs/dbraw/zinc/50/79/80/1095507980.db2.gz SONIADIVNUZOLG-FQEVSTJZSA-N 1 0 313.489 3.395 20 10 DGCDRO CCOc1ccc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC001116418277 1095545169 /nfs/dbraw/zinc/54/51/69/1095545169.db2.gz UTYVEIOUAPXDCD-MRXNPFEDSA-N 1 0 311.429 3.364 20 10 DGCDRO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)CC(C)C ZINC001116437253 1095551542 /nfs/dbraw/zinc/55/15/42/1095551542.db2.gz VFYOUCDCKLHTGZ-UHFFFAOYSA-N 1 0 307.457 3.055 20 10 DGCDRO CC(C)(C)c1cccc(CN2CCC[C@]3(CCC[NH2+]3)C2)c1O ZINC001222354218 1095570247 /nfs/dbraw/zinc/57/02/47/1095570247.db2.gz LCHPRYKESGPYFI-LJQANCHMSA-N 1 0 302.462 3.408 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1 ZINC001116568790 1095603143 /nfs/dbraw/zinc/60/31/43/1095603143.db2.gz USUJSJIZOSTUGG-VXGBXAGGSA-N 1 0 309.406 3.172 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001116588407 1095608600 /nfs/dbraw/zinc/60/86/00/1095608600.db2.gz FEAUNRQCHOJMJY-RDBSUJKOSA-N 1 0 316.445 3.238 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCN1CCCCC1=O ZINC001116585290 1095608764 /nfs/dbraw/zinc/60/87/64/1095608764.db2.gz WLZRCMFHLVFCRD-LSDHHAIUSA-N 1 0 316.445 3.241 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC001116584289 1095608927 /nfs/dbraw/zinc/60/89/27/1095608927.db2.gz CZLVPKIUZYCLGH-NRULZOBBSA-N 1 0 309.409 3.497 20 10 DGCDRO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)no1 ZINC001139670005 1095615350 /nfs/dbraw/zinc/61/53/50/1095615350.db2.gz VAFNJWCHLKGPGN-MRXNPFEDSA-N 1 0 314.433 3.132 20 10 DGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC001222477108 1095634332 /nfs/dbraw/zinc/63/43/32/1095634332.db2.gz HMAAFIKAWZDNSE-CQSZACIVSA-N 1 0 301.217 3.027 20 10 DGCDRO Oc1cc2c(cc1C[NH2+]Cc1cccc(C(F)F)c1)OCO2 ZINC001116722763 1095644105 /nfs/dbraw/zinc/64/41/05/1095644105.db2.gz TTZSIPWBCFOVQU-UHFFFAOYSA-N 1 0 307.296 3.348 20 10 DGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c(O)c1 ZINC001144514453 1095699936 /nfs/dbraw/zinc/69/99/36/1095699936.db2.gz FCUJIXQPDCLGRH-LBPRGKRZSA-N 1 0 319.788 3.446 20 10 DGCDRO COc1ccccc1[C@H](C)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514555 1095700390 /nfs/dbraw/zinc/70/03/90/1095700390.db2.gz KJZCHNLOSPOSED-NSHDSACASA-N 1 0 303.358 3.005 20 10 DGCDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1c(O)cc(O)cc1O ZINC001144514594 1095701243 /nfs/dbraw/zinc/70/12/43/1095701243.db2.gz LLCRYGYRWQHBSN-UHFFFAOYSA-N 1 0 307.777 3.131 20 10 DGCDRO CC[N@H+](Cc1ncn2ccccc12)Cc1ccc(N(C)C)cc1 ZINC001144627274 1095742357 /nfs/dbraw/zinc/74/23/57/1095742357.db2.gz LZRJLSCFRDQEPX-UHFFFAOYSA-N 1 0 308.429 3.422 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)c(C)n1-c1ccccc1 ZINC001137854279 1095766589 /nfs/dbraw/zinc/76/65/89/1095766589.db2.gz PGXVBWGLVLGZRI-SFHVURJKSA-N 1 0 302.393 3.000 20 10 DGCDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001117720976 1095815399 /nfs/dbraw/zinc/81/53/99/1095815399.db2.gz IIFPPHMNXYCZBK-ZIAGYGMSSA-N 1 0 300.805 3.147 20 10 DGCDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001117745008 1095825986 /nfs/dbraw/zinc/82/59/86/1095825986.db2.gz DPFFNEUVAPSCTD-LJQANCHMSA-N 1 0 302.462 3.318 20 10 DGCDRO [O-]c1c(F)cccc1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001138131344 1095900897 /nfs/dbraw/zinc/90/08/97/1095900897.db2.gz XIODNGVMHXFAKW-UHFFFAOYSA-N 1 0 320.339 3.109 20 10 DGCDRO COC(=O)C(C)(C)N(C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001118033293 1095925911 /nfs/dbraw/zinc/92/59/11/1095925911.db2.gz HUBRHIGYNOOINH-UHFFFAOYSA-N 1 0 318.461 3.369 20 10 DGCDRO CCOc1ccc(N2CC[C@H]3C[N@H+](Cc4ccc[nH]4)C[C@H]32)cc1 ZINC001276925649 1096079540 /nfs/dbraw/zinc/07/95/40/1096079540.db2.gz FSTQYAZPTXUDPK-HNAYVOBHSA-N 1 0 311.429 3.124 20 10 DGCDRO CCOc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc[nH]2)cc1 ZINC001276925703 1096079597 /nfs/dbraw/zinc/07/95/97/1096079597.db2.gz HOPVLJQNMCESCO-HDICACEKSA-N 1 0 311.429 3.267 20 10 DGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H](C)CC(C)C)cc1C ZINC001147395102 1096213917 /nfs/dbraw/zinc/21/39/17/1096213917.db2.gz ZCWPEUSCDBCBBT-OAHLLOKOSA-N 1 0 320.477 3.282 20 10 DGCDRO COc1ccc(N2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c(OC)c1 ZINC001276995334 1096281365 /nfs/dbraw/zinc/28/13/65/1096281365.db2.gz YWFLMQUYUSFGRW-KBXCAEBGSA-N 1 0 316.445 3.157 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172622364 1097206819 /nfs/dbraw/zinc/20/68/19/1097206819.db2.gz KIKBWWXSWNUDEL-SJLPKXTDSA-N 1 0 318.461 3.306 20 10 DGCDRO O=C(C[NH2+]C1CCC2(CCCC2)CC1)c1ccc(O)c(O)c1 ZINC001172723531 1097217164 /nfs/dbraw/zinc/21/71/64/1097217164.db2.gz DZQAPGVXDCFAQO-UHFFFAOYSA-N 1 0 303.402 3.373 20 10 DGCDRO COC(=O)[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001172808095 1097244652 /nfs/dbraw/zinc/24/46/52/1097244652.db2.gz QXXVBCWIMKMMHZ-AEFFLSMTSA-N 1 0 318.461 3.306 20 10 DGCDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001173220351 1097371431 /nfs/dbraw/zinc/37/14/31/1097371431.db2.gz YTTJHMOSLANUNU-AWEZNQCLSA-N 1 0 313.401 3.382 20 10 DGCDRO CC[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC001173285492 1097414143 /nfs/dbraw/zinc/41/41/43/1097414143.db2.gz WPOGJEXLGLFOHV-JKSUJKDBSA-N 1 0 318.461 3.405 20 10 DGCDRO O=C1c2ccccc2C(=O)c2c(Nc3cc[nH+]cc3)cccc21 ZINC001173882317 1097545350 /nfs/dbraw/zinc/54/53/50/1097545350.db2.gz DVQYBUUKYDITSH-UHFFFAOYSA-N 1 0 300.317 3.023 20 10 DGCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c1O ZINC001231555998 1097779200 /nfs/dbraw/zinc/77/92/00/1097779200.db2.gz WZFGWRHWJBCHMN-JOYOIKCWSA-N 1 0 312.207 3.148 20 10 DGCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590379 1097785511 /nfs/dbraw/zinc/78/55/11/1097785511.db2.gz XCRQQSFMEONXHW-DZGCQCFKSA-N 1 0 313.397 3.176 20 10 DGCDRO COC(=O)C[N@H+](Cc1c(O)ccc2ccccc21)C1CCCC1 ZINC001231591090 1097786604 /nfs/dbraw/zinc/78/66/04/1097786604.db2.gz SNHOBEQAKRLUOT-UHFFFAOYSA-N 1 0 313.397 3.463 20 10 DGCDRO Cc1cccc(C[NH+]2CCN(Cc3ccccc3F)CC2)c1O ZINC001231592527 1097787530 /nfs/dbraw/zinc/78/75/30/1097787530.db2.gz NXHCDFJHKDTGNY-UHFFFAOYSA-N 1 0 314.404 3.158 20 10 DGCDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cccc(C)c1O ZINC001231595103 1097788667 /nfs/dbraw/zinc/78/86/67/1097788667.db2.gz SHPORTGEJKROEW-UHFFFAOYSA-N 1 0 322.449 3.389 20 10 DGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c1O ZINC001231594784 1097788704 /nfs/dbraw/zinc/78/87/04/1097788704.db2.gz OYTUSZMRNGLIIO-AWEZNQCLSA-N 1 0 305.418 3.254 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(O)cc1O ZINC001231636300 1097796884 /nfs/dbraw/zinc/79/68/84/1097796884.db2.gz SBKIMNDRBXFGBF-GFCCVEGCSA-N 1 0 317.360 3.235 20 10 DGCDRO CC[N@H+](Cc1ccccc1F)Cc1cc(OC)c(O)cc1O ZINC001231637169 1097797019 /nfs/dbraw/zinc/79/70/19/1097797019.db2.gz HESCZVKCQLDPMC-UHFFFAOYSA-N 1 0 305.349 3.268 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(O)cc1O ZINC001231637149 1097797477 /nfs/dbraw/zinc/79/74/77/1097797477.db2.gz GDOYAPOORAQNMZ-ZDUSSCGKSA-N 1 0 317.360 3.235 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(O)cc1O ZINC001231638355 1097798894 /nfs/dbraw/zinc/79/88/94/1097798894.db2.gz YGACIFUAUOITNP-CYBMUJFWSA-N 1 0 317.360 3.235 20 10 DGCDRO Cc1nc([C@@H]2CCC[N@H+](Cc3c(C)cc(C)cc3O)C2)no1 ZINC001231843477 1097861170 /nfs/dbraw/zinc/86/11/70/1097861170.db2.gz ZSTKLXPBUDKBTA-CQSZACIVSA-N 1 0 301.390 3.080 20 10 DGCDRO COC(=O)CC[N@H+](Cc1c(C)cc(C)cc1O)C1CCCC1 ZINC001231845889 1097862204 /nfs/dbraw/zinc/86/22/04/1097862204.db2.gz SYKNFXNMGNNEAU-UHFFFAOYSA-N 1 0 305.418 3.317 20 10 DGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)C[C@@H]1C ZINC001231848362 1097863623 /nfs/dbraw/zinc/86/36/23/1097863623.db2.gz GVWYVVFINMHXSR-JKSUJKDBSA-N 1 0 319.445 3.420 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001231853454 1097865034 /nfs/dbraw/zinc/86/50/34/1097865034.db2.gz KJSVWSZXACGPRT-SFHVURJKSA-N 1 0 311.429 3.493 20 10 DGCDRO CCN(CC[NH+]1CCCCC1)Cc1ccc(N(C)C)cc1OC ZINC001231854381 1097865470 /nfs/dbraw/zinc/86/54/70/1097865470.db2.gz GJCVEWTYXSBDEE-UHFFFAOYSA-N 1 0 319.493 3.069 20 10 DGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001231854246 1097865653 /nfs/dbraw/zinc/86/56/53/1097865653.db2.gz COIYLJTZKPLSAQ-MRXNPFEDSA-N 1 0 318.461 3.010 20 10 DGCDRO Cc1cc(O)c(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)cc1Cl ZINC001231869986 1097869253 /nfs/dbraw/zinc/86/92/53/1097869253.db2.gz DPGHMJSTJNOYIL-UHFFFAOYSA-N 1 0 318.804 3.055 20 10 DGCDRO 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CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2C)cc1 ZINC001179627401 1099158562 /nfs/dbraw/zinc/15/85/62/1099158562.db2.gz ZDZOETDFHMRDBX-QFBILLFUSA-N 1 0 303.494 3.495 20 10 DGCDRO Nc1ccc(C[N@@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001235787421 1099178963 /nfs/dbraw/zinc/17/89/63/1099178963.db2.gz AJSOEPWLQWVBCD-QGZVFWFLSA-N 1 0 301.821 3.069 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)c1 ZINC001179855237 1099221932 /nfs/dbraw/zinc/22/19/32/1099221932.db2.gz PFAMKJJGCQUEIH-UHFFFAOYSA-N 1 0 318.461 3.347 20 10 DGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC001236094975 1099384943 /nfs/dbraw/zinc/38/49/43/1099384943.db2.gz JRTZRCRDORXWST-KDURUIRLSA-N 1 0 309.457 3.420 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC001180429510 1099403705 /nfs/dbraw/zinc/40/37/05/1099403705.db2.gz BPTLFYBNIGRISO-QZTJIDSGSA-N 1 0 304.478 3.290 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236116316 1099405015 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CCCCN(CCCC)c1ccc(C[N@H+](C)CCO)c(O)c1 ZINC001236255828 1099504208 /nfs/dbraw/zinc/50/42/08/1099504208.db2.gz IJCUZPONDYLYTJ-UHFFFAOYSA-N 1 0 308.466 3.223 20 10 DGCDRO Oc1cccc(F)c1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270763 1099513937 /nfs/dbraw/zinc/51/39/37/1099513937.db2.gz VWANAAVTSHTCQG-MRXNPFEDSA-N 1 0 314.404 3.286 20 10 DGCDRO Nc1ccc(CN(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236395556 1099573212 /nfs/dbraw/zinc/57/32/12/1099573212.db2.gz KPRNRSOKEOLFJA-LJQANCHMSA-N 1 0 313.420 3.162 20 10 DGCDRO COc1cc(O)c(CN(CC[NH3+])Cc2ccccc2)c(Cl)c1 ZINC001236526441 1099661631 /nfs/dbraw/zinc/66/16/31/1099661631.db2.gz IYFLCPDZGDNJDG-UHFFFAOYSA-N 1 0 320.820 3.015 20 10 DGCDRO CC[N@H+](Cc1cc(OC)c(Br)cc1O)C(C)C ZINC001236746283 1099769059 /nfs/dbraw/zinc/76/90/59/1099769059.db2.gz WUQHPRKPRSAXKB-UHFFFAOYSA-N 1 0 302.212 3.394 20 10 DGCDRO CCCC[N@H+](CC)Cc1cc(O)c(Br)cc1O ZINC001236771882 1099775830 /nfs/dbraw/zinc/77/58/30/1099775830.db2.gz GNSFLTRNBMKSBC-UHFFFAOYSA-N 1 0 302.212 3.482 20 10 DGCDRO CCC[NH+](CCC)Cc1cc(O)c(Br)cc1O ZINC001236773852 1099778980 /nfs/dbraw/zinc/77/89/80/1099778980.db2.gz UZODRJGJDWWZCZ-UHFFFAOYSA-N 1 0 302.212 3.482 20 10 DGCDRO CCc1ccc(CN2Cc3cccc(C(=O)OC)c3C2)c(O)c1 ZINC001236795475 1099789987 /nfs/dbraw/zinc/78/99/87/1099789987.db2.gz VJRIIMXEHMNVSV-UHFFFAOYSA-N 1 0 311.381 3.257 20 10 DGCDRO CCc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236795600 1099790690 /nfs/dbraw/zinc/79/06/90/1099790690.db2.gz WXVLTXZVJHWYQQ-OAHLLOKOSA-N 1 0 305.418 3.118 20 10 DGCDRO C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236795346 1099791172 /nfs/dbraw/zinc/79/11/72/1099791172.db2.gz CJZCNAWFBOIXEZ-UHFFFAOYSA-N 1 0 315.244 3.227 20 10 DGCDRO CC[N@H+]1C[C@H]2CN(Cc3cc(Cl)c(Cl)cc3O)C[C@H]2C1 ZINC001236803816 1099797733 /nfs/dbraw/zinc/79/77/33/1099797733.db2.gz PHFABAOFQWLEMA-TXEJJXNPSA-N 1 0 315.244 3.083 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(Cl)c1 ZINC001236809628 1099799696 /nfs/dbraw/zinc/79/96/96/1099799696.db2.gz WZYTVQAABYSRIS-INIZCTEOSA-N 1 0 311.809 3.057 20 10 DGCDRO COC(=O)C1(C)CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236842834 1099825740 /nfs/dbraw/zinc/82/57/40/1099825740.db2.gz YUCSSOIRWCXHQO-UHFFFAOYSA-N 1 0 313.397 3.321 20 10 DGCDRO F[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236922391 1099879398 /nfs/dbraw/zinc/87/93/98/1099879398.db2.gz RHADTLHWIPWZEN-AWEZNQCLSA-N 1 0 312.816 3.111 20 10 DGCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001236929010 1099880274 /nfs/dbraw/zinc/88/02/74/1099880274.db2.gz DHUKEQCSDURFPF-SUMWQHHRSA-N 1 0 306.837 3.161 20 10 DGCDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237051633 1099944671 /nfs/dbraw/zinc/94/46/71/1099944671.db2.gz PKMRSQINOSOFDJ-UKPHBRMFSA-N 1 0 303.402 3.042 20 10 DGCDRO CCOc1ccc(CN2CCCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001237050050 1099945394 /nfs/dbraw/zinc/94/53/94/1099945394.db2.gz NSSUTWXOWYRDSZ-AWEZNQCLSA-N 1 0 303.324 3.360 20 10 DGCDRO CC(C)C(=O)NC1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237052910 1099947219 /nfs/dbraw/zinc/94/72/19/1099947219.db2.gz FFUQNVXZSOOWDW-UHFFFAOYSA-N 1 0 318.461 3.252 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@@H]1F ZINC001237054200 1099948235 /nfs/dbraw/zinc/94/82/35/1099948235.db2.gz WQRQMVYVJNATTL-SKDRFNHKSA-N 1 0 307.287 3.123 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)CCC2CC2)c(Br)c1 ZINC001237070002 1099956160 /nfs/dbraw/zinc/95/61/60/1099956160.db2.gz JIHQBYUFTWCSBB-UHFFFAOYSA-N 1 0 314.223 3.395 20 10 DGCDRO CC[N@H+]1C[C@H]2CN(Cc3c(O)ccc(Cl)c3Cl)C[C@H]2C1 ZINC001237085882 1099963485 /nfs/dbraw/zinc/96/34/85/1099963485.db2.gz JYZHRWLQFCSZMH-PHIMTYICSA-N 1 0 315.244 3.083 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237115155 1099976908 /nfs/dbraw/zinc/97/69/08/1099976908.db2.gz FQYVQEFAALSWQV-ATZCPNFKSA-N 1 0 305.271 3.081 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1CN1CCc2occc2C1 ZINC001237114091 1099978084 /nfs/dbraw/zinc/97/80/84/1099978084.db2.gz GYCKEDMZMUDZHH-UHFFFAOYSA-N 1 0 313.275 3.442 20 10 DGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237111990 1099978156 /nfs/dbraw/zinc/97/81/56/1099978156.db2.gz XILYCPKODPDSDO-ATZCPNFKSA-N 1 0 305.271 3.223 20 10 DGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)CCC[C@@]1(C)O ZINC001237125003 1099984279 /nfs/dbraw/zinc/98/42/79/1099984279.db2.gz UUNTZDKJTUMVMV-ZUZCIYMTSA-N 1 0 301.789 3.168 20 10 DGCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237138188 1099988466 /nfs/dbraw/zinc/98/84/66/1099988466.db2.gz VPUPURRYETYKQC-MNOVXSKESA-N 1 0 303.324 3.004 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@]1(C)O ZINC001237138076 1099989334 /nfs/dbraw/zinc/98/93/34/1099989334.db2.gz SVVIURHNAHPDLL-YGRLFVJLSA-N 1 0 303.324 3.004 20 10 DGCDRO CC(=O)C1CC[NH+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237140350 1099989751 /nfs/dbraw/zinc/98/97/51/1099989751.db2.gz JXOFKTOBEWQSEZ-UHFFFAOYSA-N 1 0 301.308 3.212 20 10 DGCDRO Oc1ccc(F)c(Cl)c1CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237162558 1100010945 /nfs/dbraw/zinc/01/09/45/1100010945.db2.gz XSODWAREEFFRHP-LBPRGKRZSA-N 1 0 312.816 3.291 20 10 DGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(Cl)nc1OC ZINC001237252165 1100047406 /nfs/dbraw/zinc/04/74/06/1100047406.db2.gz FUHHYNHDIUGCOG-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001237276336 1100057287 /nfs/dbraw/zinc/05/72/87/1100057287.db2.gz VIRGRHOIKVPUFT-HNNXBMFYSA-N 1 0 313.420 3.287 20 10 DGCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237410469 1100115546 /nfs/dbraw/zinc/11/55/46/1100115546.db2.gz DNHFJECEKCLCRB-MFKMUULPSA-N 1 0 315.244 3.273 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001237481050 1100138782 /nfs/dbraw/zinc/13/87/82/1100138782.db2.gz BSRJPDBMSNIUOH-UHFFFAOYSA-N 1 0 300.377 3.162 20 10 DGCDRO COc1cccc(N2CC[NH+](Cc3c(C)cccc3O)CC2)c1 ZINC001237483909 1100139421 /nfs/dbraw/zinc/13/94/21/1100139421.db2.gz UXPLBAWJFGVQON-UHFFFAOYSA-N 1 0 312.413 3.031 20 10 DGCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(C)cccc1O)C2 ZINC001237485362 1100139449 /nfs/dbraw/zinc/13/94/49/1100139449.db2.gz HRYCTIWYYLSGOU-LPHOPBHVSA-N 1 0 319.445 3.108 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001237484569 1100139786 /nfs/dbraw/zinc/13/97/86/1100139786.db2.gz FYUXUBDOFISDSM-SWLSCSKDSA-N 1 0 317.351 3.226 20 10 DGCDRO Cc1cccc(O)c1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001237490654 1100143958 /nfs/dbraw/zinc/14/39/58/1100143958.db2.gz YZYQJJBRWDXJOO-UHFFFAOYSA-N 1 0 312.413 3.277 20 10 DGCDRO CO[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@@H]1F ZINC001237640344 1100199403 /nfs/dbraw/zinc/19/94/03/1100199403.db2.gz AJWNMHXQTZHCGG-FUHWJXTLSA-N 1 0 319.351 3.367 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@@H]1O ZINC001237641123 1100199496 /nfs/dbraw/zinc/19/94/96/1100199496.db2.gz MKPLGOSNVBCWTB-YJYMSZOUSA-N 1 0 315.388 3.401 20 10 DGCDRO COc1cc(C[N@@H+]2CCCC(F)(F)CC2)c(O)c(OC)c1 ZINC001237674445 1100210661 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Cc1cc(F)cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1O ZINC001238057784 1100343996 /nfs/dbraw/zinc/34/39/96/1100343996.db2.gz NBCGYVCNTJPIQD-UHFFFAOYSA-N 1 0 318.367 3.301 20 10 DGCDRO CCNc1nc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cs1 ZINC001192780316 1100659635 /nfs/dbraw/zinc/65/96/35/1100659635.db2.gz CROZYUPAECUEIB-JTQLQIEISA-N 1 0 307.419 3.140 20 10 DGCDRO C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001195113834 1101073418 /nfs/dbraw/zinc/07/34/18/1101073418.db2.gz PUYZXAMXFGSRSJ-SFHVURJKSA-N 1 0 323.484 3.459 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(C)cc(C)n2)cc1 ZINC001195787778 1101200995 /nfs/dbraw/zinc/20/09/95/1101200995.db2.gz DBWUIIIJZUJANX-UHFFFAOYSA-N 1 0 313.445 3.275 20 10 DGCDRO CO[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C1CCCC1 ZINC001203241571 1101452594 /nfs/dbraw/zinc/45/25/94/1101452594.db2.gz AVJOVXHXLMXHEA-KRWDZBQOSA-N 1 0 312.404 3.326 20 10 DGCDRO Cn1ccc2c1cccc2-c1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC001241822889 1101728179 /nfs/dbraw/zinc/72/81/79/1101728179.db2.gz RXJPZDVQQGVQLS-INIZCTEOSA-N 1 0 320.440 3.381 20 10 DGCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cccc(C)c2O)C1=O ZINC001273770258 1101955404 /nfs/dbraw/zinc/95/54/04/1101955404.db2.gz QWZGIBMOTWJSCB-DNVCBOLYSA-N 1 0 316.445 3.066 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3cccnc3)CC2)cc1 ZINC001203933594 1102119373 /nfs/dbraw/zinc/11/93/73/1102119373.db2.gz BENWUWRAVKSOPC-UHFFFAOYSA-N 1 0 311.429 3.191 20 10 DGCDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc2c(c1)CCCO2 ZINC001199678456 1102181060 /nfs/dbraw/zinc/18/10/60/1102181060.db2.gz OEQPOBURIVBTOB-BBWFWOEESA-N 1 0 316.489 3.468 20 10 DGCDRO CCN(CC)c1ccc(CN2CC([NH+]3CCCCC3)C2)cc1 ZINC001203942402 1102214756 /nfs/dbraw/zinc/21/47/56/1102214756.db2.gz PEQWIWUFVQUXAQ-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO Cc1c(C)n(Cc2ccccc2)c2ncnc(C3=CC[NH2+]C3)c12 ZINC001243110091 1102529965 /nfs/dbraw/zinc/52/99/65/1102529965.db2.gz XIFXDHIMOHJSRP-UHFFFAOYSA-N 1 0 304.397 3.083 20 10 DGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1(C)C 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3.337 20 10 DGCDRO C[N@@H+]1CCC[C@@]2(CCCN(Cc3ccc(Cl)cc3O)C2)C1 ZINC001275267828 1104698491 /nfs/dbraw/zinc/69/84/91/1104698491.db2.gz YFLJOHPIRDTVLY-QGZVFWFLSA-N 1 0 308.853 3.353 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275270747 1104699307 /nfs/dbraw/zinc/69/93/07/1104699307.db2.gz HPRCIFCENRRCDU-UHFFFAOYSA-N 1 0 320.864 3.496 20 10 DGCDRO Oc1cc(F)c(F)cc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001275775119 1104903199 /nfs/dbraw/zinc/90/31/99/1104903199.db2.gz WJOSVIAXUNCHBS-IRXDYDNUSA-N 1 0 322.399 3.262 20 10 DGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC001248880456 1105185054 /nfs/dbraw/zinc/18/50/54/1105185054.db2.gz JSVJKCLOQWYCFG-LLVKDONJSA-N 1 0 324.852 3.040 20 10 DGCDRO CC[N@H+](CCC(N)=O)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883521 1105186284 /nfs/dbraw/zinc/18/62/84/1105186284.db2.gz JTGNVTSWMXVFKX-UHFFFAOYSA-N 1 0 312.841 3.040 20 10 DGCDRO CC[NH+](CC)CCN(C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249224196 1105249653 /nfs/dbraw/zinc/24/96/53/1105249653.db2.gz UMHKEFLZNDPASF-UHFFFAOYSA-N 1 0 318.461 3.350 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCCO1 ZINC001249223778 1105249833 /nfs/dbraw/zinc/24/98/33/1105249833.db2.gz MFOXSMTZTODPOF-ZDUSSCGKSA-N 1 0 303.402 3.187 20 10 DGCDRO COc1cc(F)c(C)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001250112168 1105444141 /nfs/dbraw/zinc/44/41/41/1105444141.db2.gz COTPQIXSCLTBNB-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO CC/C(C)=C/C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001490888031 1105548300 /nfs/dbraw/zinc/54/83/00/1105548300.db2.gz GQGXIOLVEAOELG-JXNLHVLSSA-N 1 0 316.445 3.097 20 10 DGCDRO Cc1ccc2[nH]c(-c3ccc(N4CC[NH+](C)CC4)cc3)nc2c1F ZINC001250772702 1105580616 /nfs/dbraw/zinc/58/06/16/1105580616.db2.gz CLOOXUBLRSWDIO-UHFFFAOYSA-N 1 0 324.403 3.429 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@](C)(O)c1ccccc1 ZINC001253105079 1105890232 /nfs/dbraw/zinc/89/02/32/1105890232.db2.gz BGWXWVZRMFYEQZ-HXUWFJFHSA-N 1 0 312.457 3.482 20 10 DGCDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001254019991 1106010639 /nfs/dbraw/zinc/01/06/39/1106010639.db2.gz ZYAUFZWHLRXDGO-SFHVURJKSA-N 1 0 324.472 3.085 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001254184014 1106030622 /nfs/dbraw/zinc/03/06/22/1106030622.db2.gz IHPBKCHLLFKLBO-LBPRGKRZSA-N 1 0 309.406 3.001 20 10 DGCDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cccc(O)c2C1 ZINC001254564295 1106105183 /nfs/dbraw/zinc/10/51/83/1106105183.db2.gz KDCXWEFNMUSTQX-CYBMUJFWSA-N 1 0 312.369 3.290 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC2CCN(CC2)C1 ZINC001254869974 1106151795 /nfs/dbraw/zinc/15/17/95/1106151795.db2.gz ZERJZJDDMCSPJP-LJQANCHMSA-N 1 0 301.478 3.059 20 10 DGCDRO Oc1cccc2c1C[N@@H+]([C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001255119415 1106184028 /nfs/dbraw/zinc/18/40/28/1106184028.db2.gz UAOUDPIOEMLGSQ-SFHVURJKSA-N 1 0 308.425 3.025 20 10 DGCDRO CCOC(=O)[C@H]1CCC[C@@H]([N@H+](CC)Cc2ccccc2O)C1 ZINC001255368049 1106233152 /nfs/dbraw/zinc/23/31/52/1106233152.db2.gz COBDBTGIMHJFLC-GOEBONIOSA-N 1 0 305.418 3.336 20 10 DGCDRO C[NH+]1CCC(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256935181 1106513839 /nfs/dbraw/zinc/51/38/39/1106513839.db2.gz GGOIFYMIJYIKFX-UHFFFAOYSA-N 1 0 322.412 3.412 20 10 DGCDRO C[NH+](C)[C@H]1C[C@@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256970390 1106518382 /nfs/dbraw/zinc/51/83/82/1106518382.db2.gz OILRMKMJJQNCIX-FZNQNYSPSA-N 1 0 308.385 3.335 20 10 DGCDRO C[NH+](C)CCCCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256970386 1106518580 /nfs/dbraw/zinc/51/85/80/1106518580.db2.gz OBIZEYFDEBBVHX-UHFFFAOYSA-N 1 0 310.401 3.412 20 10 DGCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001257042756 1106529143 /nfs/dbraw/zinc/52/91/43/1106529143.db2.gz QFPORPVNFKSKRI-CWRNSKLLSA-N 1 0 304.434 3.135 20 10 DGCDRO COc1ccc(N2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC001257461342 1106593877 /nfs/dbraw/zinc/59/38/77/1106593877.db2.gz PFSCZGNZSUFCFU-UHFFFAOYSA-N 1 0 304.434 3.159 20 10 DGCDRO C[C@@H](Cc1ccco1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001258193193 1106693107 /nfs/dbraw/zinc/69/31/07/1106693107.db2.gz VOWNPRAAOGENRU-INIZCTEOSA-N 1 0 314.429 3.179 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@H](C)CC3CC3)CC2)c(OC)c1 ZINC001258469612 1106764823 /nfs/dbraw/zinc/76/48/23/1106764823.db2.gz GCZHGJLPZVPUPT-CQSZACIVSA-N 1 0 304.434 3.014 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1 ZINC001320071580 1106841808 /nfs/dbraw/zinc/84/18/08/1106841808.db2.gz PYHFYCBSBQWKTB-GFCCVEGCSA-N 1 0 309.406 3.001 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc(C(C)C)no2)c(O)c1C ZINC001320131156 1106890831 /nfs/dbraw/zinc/89/08/31/1106890831.db2.gz DCIGOFBFHGDOLE-CYBMUJFWSA-N 1 0 303.406 3.409 20 10 DGCDRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258735761 1106941229 /nfs/dbraw/zinc/94/12/29/1106941229.db2.gz BFVCUMMQTBDLBH-APPDUMDISA-N 1 0 321.804 3.005 20 10 DGCDRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258737593 1106943416 /nfs/dbraw/zinc/94/34/16/1106943416.db2.gz HCGRYQBPNUXYLH-NSHDSACASA-N 1 0 321.804 3.220 20 10 DGCDRO COc1ccc(N2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c(OC)c1 ZINC001258826869 1107008553 /nfs/dbraw/zinc/00/85/53/1107008553.db2.gz FDZIJENHNYMUAS-JKSUJKDBSA-N 1 0 318.461 3.405 20 10 DGCDRO C[C@@H]1CCCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320537998 1107045288 /nfs/dbraw/zinc/04/52/88/1107045288.db2.gz NQSYXSVSZUFNCG-MRXNPFEDSA-N 1 0 319.468 3.200 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCC(C)C)cc1C ZINC001317223442 1107147247 /nfs/dbraw/zinc/14/72/47/1107147247.db2.gz BTIPXVWIMBVQIN-HNNXBMFYSA-N 1 0 306.450 3.034 20 10 DGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321025497 1107225150 /nfs/dbraw/zinc/22/51/50/1107225150.db2.gz PNOIHCJSCDIZHZ-LJQANCHMSA-N 1 0 302.462 3.414 20 10 DGCDRO Cn1nc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC001321049560 1107233418 /nfs/dbraw/zinc/23/34/18/1107233418.db2.gz UYABZSHKCMTCDG-UHFFFAOYSA-N 1 0 320.440 3.463 20 10 DGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC001321079050 1107242633 /nfs/dbraw/zinc/24/26/33/1107242633.db2.gz BZYMYSPFAKNYFW-FQEVSTJZSA-N 1 0 309.409 3.406 20 10 DGCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001321386465 1107339247 /nfs/dbraw/zinc/33/92/47/1107339247.db2.gz DYJWLKSEKAMYDH-YJBOKZPZSA-N 1 0 317.477 3.194 20 10 DGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001261185052 1107355175 /nfs/dbraw/zinc/35/51/75/1107355175.db2.gz DEANCDQOACGICH-LJQANCHMSA-N 1 0 302.462 3.271 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H](CO)c1ccccc1 ZINC001261256139 1107376708 /nfs/dbraw/zinc/37/67/08/1107376708.db2.gz XBHLPXCSBPCYFE-HXUWFJFHSA-N 1 0 310.441 3.452 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc3c(c2)CCC3)cc1 ZINC001261370832 1107420814 /nfs/dbraw/zinc/42/08/14/1107420814.db2.gz WBNKSXBJEDZJDP-FQEVSTJZSA-N 1 0 309.457 3.031 20 10 DGCDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001321865802 1107453228 /nfs/dbraw/zinc/45/32/28/1107453228.db2.gz ABQBGYKHNXUXOG-ROUUACIJSA-N 1 0 316.445 3.108 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC001321942997 1107469157 /nfs/dbraw/zinc/46/91/57/1107469157.db2.gz DQUVYWOWOJYUJA-RBUKOAKNSA-N 1 0 300.446 3.430 20 10 DGCDRO O[C@]1(C2CC2)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001261673096 1107500445 /nfs/dbraw/zinc/50/04/45/1107500445.db2.gz KZNRLCZUUJEDFE-LJQANCHMSA-N 1 0 300.446 3.024 20 10 DGCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001322324636 1107634837 /nfs/dbraw/zinc/63/48/37/1107634837.db2.gz GTQDFRUAQRZOOZ-UHFFFAOYSA-N 1 0 318.461 3.498 20 10 DGCDRO Cc1noc2ncc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)cc12 ZINC001262188424 1107643063 /nfs/dbraw/zinc/64/30/63/1107643063.db2.gz QHURPQMMIVIMDR-LBPRGKRZSA-N 1 0 310.401 3.448 20 10 DGCDRO COc1ccc(C[N@H+](C)CCc2cccs2)c(O)c1OC ZINC001262357195 1107686342 /nfs/dbraw/zinc/68/63/42/1107686342.db2.gz CCDNXJGLLHFOFG-UHFFFAOYSA-N 1 0 307.415 3.145 20 10 DGCDRO CCCC[N@H+](Cc1c(C)cnn1COC)Cc1ccccc1O ZINC001262370613 1107699807 /nfs/dbraw/zinc/69/98/07/1107699807.db2.gz MZOAWLSPSJFOOA-UHFFFAOYSA-N 1 0 317.433 3.303 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H]2CCCC[C@H]2N(C)C)ccc1OC ZINC001322714451 1107742413 /nfs/dbraw/zinc/74/24/13/1107742413.db2.gz QSWHLIHMPVJDCM-QZTJIDSGSA-N 1 0 320.477 3.194 20 10 DGCDRO CCOc1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC001323551026 1108007968 /nfs/dbraw/zinc/00/79/68/1108007968.db2.gz LFXFYBXJZUTVHZ-UHFFFAOYSA-N 1 0 301.361 3.488 20 10 DGCDRO CN(C)c1ccc(C[N@H+](Cc2cccnc2N(C)C)C2CC2)cc1 ZINC001323652888 1108043290 /nfs/dbraw/zinc/04/32/90/1108043290.db2.gz RCQRDWWLGBRATR-UHFFFAOYSA-N 1 0 324.472 3.378 20 10 DGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001323875987 1108110652 /nfs/dbraw/zinc/11/06/52/1108110652.db2.gz DKNWHUZCPQABSS-TTZDDIAXSA-N 1 0 305.418 3.033 20 10 DGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001323875984 1108110697 /nfs/dbraw/zinc/11/06/97/1108110697.db2.gz DKNWHUZCPQABSS-HLPPOEQASA-N 1 0 305.418 3.033 20 10 DGCDRO CCOc1ccc(N2CC[NH+](C[C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC001324795089 1108467245 /nfs/dbraw/zinc/46/72/45/1108467245.db2.gz GJMKPDDKCJNHOE-IRXDYDNUSA-N 1 0 318.461 3.022 20 10 DGCDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001324916585 1108509615 /nfs/dbraw/zinc/50/96/15/1108509615.db2.gz WSUKORYZLVOFTG-APWZRJJASA-N 1 0 302.462 3.412 20 10 DGCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)cc1OC ZINC001319798294 1108638423 /nfs/dbraw/zinc/63/84/23/1108638423.db2.gz GYOZZKCQPPTATP-QWHCGFSZSA-N 1 0 311.447 3.125 20 10 DGCDRO Cc1cccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)c1C ZINC000391012432 1108684449 /nfs/dbraw/zinc/68/44/49/1108684449.db2.gz UEKBZMUHCPDOCX-UHFFFAOYSA-N 1 0 314.404 3.470 20 10 DGCDRO CCCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265419917 1108868294 /nfs/dbraw/zinc/86/82/94/1108868294.db2.gz RBDRWGRYFXFQHR-KRWDZBQOSA-N 1 0 318.461 3.274 20 10 DGCDRO CCC1(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001282184375 1109464947 /nfs/dbraw/zinc/46/49/47/1109464947.db2.gz JDWOUNFKIHNGMM-CABCVRRESA-N 1 0 318.461 3.177 20 10 DGCDRO CCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001283946795 1109704478 /nfs/dbraw/zinc/70/44/78/1109704478.db2.gz PYNYYPWINAXVAZ-DOTOQJQBSA-N 1 0 318.461 3.273 20 10 DGCDRO C[C@@H]1CCCN(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001308200136 1111396144 /nfs/dbraw/zinc/39/61/44/1111396144.db2.gz UZPRZFVOCYFIKE-DANOYGIBSA-N 1 0 301.478 3.087 20 10 DGCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308264507 1111407679 /nfs/dbraw/zinc/40/76/79/1111407679.db2.gz PLOXTENUKPESIV-RDTXWAMCSA-N 1 0 316.420 3.146 20 10 DGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001308372618 1111423142 /nfs/dbraw/zinc/42/31/42/1111423142.db2.gz NNDHEQXICLAJIJ-IBGZPJMESA-N 1 0 311.425 3.013 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC001308562130 1111444438 /nfs/dbraw/zinc/44/44/38/1111444438.db2.gz VXQFSJKEJBQQNM-ZFWWWQNUSA-N 1 0 317.351 3.403 20 10 DGCDRO C[C@H]1C[NH+](Cc2c(O)cccc2Br)C[C@H](C)S1 ZINC001308589821 1111448592 /nfs/dbraw/zinc/44/85/92/1111448592.db2.gz KULCRZKYQKUJAU-UWVGGRQHSA-N 1 0 316.264 3.481 20 10 DGCDRO CCC[N@H+](Cc1cc(C(=O)OC)c(C)[nH]1)Cc1ccccc1O ZINC001308618233 1111452122 /nfs/dbraw/zinc/45/21/22/1111452122.db2.gz UVVPLMSZQXSUSK-UHFFFAOYSA-N 1 0 316.401 3.228 20 10 DGCDRO COC(=O)c1c(C[NH+]2CCC(C)CC2)c2cc(F)ccc2n1C ZINC001308652954 1111456212 /nfs/dbraw/zinc/45/62/12/1111456212.db2.gz IDWUISIGFQYVSH-UHFFFAOYSA-N 1 0 318.392 3.336 20 10 DGCDRO COC(=O)[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)CC(C)C ZINC001308793773 1111475413 /nfs/dbraw/zinc/47/54/13/1111475413.db2.gz HBEOOBHQYXZDSD-JTGQJZMRSA-N 1 0 318.461 3.191 20 10 DGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1O ZINC001308878529 1111487746 /nfs/dbraw/zinc/48/77/46/1111487746.db2.gz QBOZAKJGXMNGNP-SJCJKPOMSA-N 1 0 305.805 3.300 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc(F)cc2)cc1OC ZINC001308965670 1111501457 /nfs/dbraw/zinc/50/14/57/1111501457.db2.gz IDOAVOSMVKGMIP-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO COC(=O)c1sccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC001621419880 1193840093 /nfs/dbraw/zinc/84/00/93/1193840093.db2.gz BDCULZHYZUDDNF-UHFFFAOYSA-N 1 0 311.790 3.184 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)cc1 ZINC000090533396 185301399 /nfs/dbraw/zinc/30/13/99/185301399.db2.gz NRVPRXVQTSWTIU-ZFWWWQNUSA-N 1 0 300.450 3.456 20 10 DGCDRO CCCC[C@H](COC)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000155329088 282962510 /nfs/dbraw/zinc/96/25/10/282962510.db2.gz LDCHIDWKEYUXAS-SJLPKXTDSA-N 1 0 320.477 3.379 20 10 DGCDRO CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(N(C)C)cc1 ZINC000133064740 432057674 /nfs/dbraw/zinc/05/76/74/432057674.db2.gz NWVJYJJRPYXGKT-SFHVURJKSA-N 1 0 300.450 3.458 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000179483332 432060555 /nfs/dbraw/zinc/06/05/55/432060555.db2.gz OHQWYMAESXTZKN-UHFFFAOYSA-N 1 0 324.424 3.049 20 10 DGCDRO Oc1ccccc1C[NH+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000179552808 432061737 /nfs/dbraw/zinc/06/17/37/432061737.db2.gz JNUHOAUEGCVGHM-QGZVFWFLSA-N 1 0 313.397 3.279 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741375 432069538 /nfs/dbraw/zinc/06/95/38/432069538.db2.gz ZXEORONOVQKAMQ-AWEZNQCLSA-N 1 0 320.433 3.047 20 10 DGCDRO CCC(CC)[N@H+](CCOC)Cc1cc(OC)c(OC)cc1O ZINC000179740961 432069648 /nfs/dbraw/zinc/06/96/48/432069648.db2.gz AJLRJMNMMNFLFP-UHFFFAOYSA-N 1 0 311.422 3.046 20 10 DGCDRO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1O ZINC000179838422 432072324 /nfs/dbraw/zinc/07/23/24/432072324.db2.gz BAOJNDVTJCWSCL-QGZVFWFLSA-N 1 0 301.386 3.475 20 10 DGCDRO C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000278420782 299286575 /nfs/dbraw/zinc/28/65/75/299286575.db2.gz INWNBUCAHVPLGD-NSHDSACASA-N 1 0 310.388 3.195 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1 ZINC000090802144 192935243 /nfs/dbraw/zinc/93/52/43/192935243.db2.gz PMPCZLFWXMCKFL-MJGOQNOKSA-N 1 0 324.472 3.467 20 10 DGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OC)c2O)C12CCC2 ZINC000092040983 193146368 /nfs/dbraw/zinc/14/63/68/193146368.db2.gz UEIISLANRJOOAC-CVEARBPZSA-N 1 0 305.418 3.180 20 10 DGCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000473275519 244329605 /nfs/dbraw/zinc/32/96/05/244329605.db2.gz WRVKHZADHWMOFY-AWEZNQCLSA-N 1 0 315.461 3.270 20 10 DGCDRO CCOc1cccc(C[N@H+](C)[C@H](CCO)c2ccccc2)c1O ZINC000093442519 193253330 /nfs/dbraw/zinc/25/33/30/193253330.db2.gz HCWSARMTORMMDV-QGZVFWFLSA-N 1 0 315.413 3.346 20 10 DGCDRO C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000183527635 296159737 /nfs/dbraw/zinc/15/97/37/296159737.db2.gz MDGMQPHCMHGIEY-IUODEOHRSA-N 1 0 320.433 3.346 20 10 DGCDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000268755259 432128553 /nfs/dbraw/zinc/12/85/53/432128553.db2.gz LJWAEULXUFJHBM-AUUYWEPGSA-N 1 0 314.429 3.145 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C(C)C ZINC000268841721 432144277 /nfs/dbraw/zinc/14/42/77/432144277.db2.gz NLVWQTMJOXCERE-IBGZPJMESA-N 1 0 304.478 3.420 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)C ZINC000268872204 432146374 /nfs/dbraw/zinc/14/63/74/432146374.db2.gz VPOYDWYNIBVJRX-HNNXBMFYSA-N 1 0 304.478 3.420 20 10 DGCDRO CC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccc(N(C)C)cc1 ZINC000268885144 432147307 /nfs/dbraw/zinc/14/73/07/432147307.db2.gz XMQNRDYCVGXXNZ-TVPLGVNVSA-N 1 0 317.477 3.241 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000268973921 432147994 /nfs/dbraw/zinc/14/79/94/432147994.db2.gz ZVVXALMBPPRVOV-LSDHHAIUSA-N 1 0 308.441 3.485 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c(O)c1C ZINC000273355760 130110823 /nfs/dbraw/zinc/11/08/23/130110823.db2.gz CNMDATWAIXVIRY-RHSMWYFYSA-N 1 0 317.404 3.402 20 10 DGCDRO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000273383981 130114534 /nfs/dbraw/zinc/11/45/34/130114534.db2.gz IYNAUPNGFKGXTI-ORAYPTAESA-N 1 0 324.424 3.148 20 10 DGCDRO CCN1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000273387052 130116251 /nfs/dbraw/zinc/11/62/51/130116251.db2.gz JTQCQEQAWYXPEX-AWEZNQCLSA-N 1 0 302.462 3.406 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273432606 130120791 /nfs/dbraw/zinc/12/07/91/130120791.db2.gz WCXGFSSMJLHHQC-YLWLKBPMSA-N 1 0 318.122 3.273 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C ZINC000273481230 130126362 /nfs/dbraw/zinc/12/63/62/130126362.db2.gz MEDXDPZRCUYGGQ-KBPBESRZSA-N 1 0 304.434 3.059 20 10 DGCDRO CO[C@H](C)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273564627 130136595 /nfs/dbraw/zinc/13/65/95/130136595.db2.gz JEAJMEPZSARLPV-NXEZZACHSA-N 1 0 302.212 3.230 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273574695 130138140 /nfs/dbraw/zinc/13/81/40/130138140.db2.gz LNSOIZWPHKRLDC-CQSZACIVSA-N 1 0 324.424 3.444 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000273703678 130156469 /nfs/dbraw/zinc/15/64/69/130156469.db2.gz DYSQKDMQERFQCJ-HZPDHXFCSA-N 1 0 311.809 3.101 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)F)cc1 ZINC000274468042 130237649 /nfs/dbraw/zinc/23/76/49/130237649.db2.gz IZOXZPMOPHXXDA-UHFFFAOYSA-N 1 0 308.376 3.056 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cccnc1OCCOC)c1ccccc1O ZINC000274863722 130268146 /nfs/dbraw/zinc/26/81/46/130268146.db2.gz DJBPYGYOQLVKBO-MRXNPFEDSA-N 1 0 316.401 3.053 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCOC2)c1O ZINC000275272375 130300900 /nfs/dbraw/zinc/30/09/00/130300900.db2.gz CFYLEILCWKQULO-WDEREUQCSA-N 1 0 314.223 3.150 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)C(C)C)c1O ZINC000275368112 130308471 /nfs/dbraw/zinc/30/84/71/130308471.db2.gz UZQXQBGZTLBYDF-ZWNOBZJWSA-N 1 0 316.239 3.131 20 10 DGCDRO CCCC[N@H+](Cc1cc(=O)c(OC)co1)Cc1ccccc1O ZINC000282375266 130917802 /nfs/dbraw/zinc/91/78/02/130917802.db2.gz FOUQVMLTVOSAHP-UHFFFAOYSA-N 1 0 317.385 3.156 20 10 DGCDRO Oc1ccccc1C[N@H+](CCc1cscn1)C[C@H]1CCCO1 ZINC000283892747 131031750 /nfs/dbraw/zinc/03/17/50/131031750.db2.gz JCIONJVPEHVSQR-MRXNPFEDSA-N 1 0 318.442 3.072 20 10 DGCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000284202042 131058636 /nfs/dbraw/zinc/05/86/36/131058636.db2.gz ZASZOBZNYLWLMX-SFHVURJKSA-N 1 0 314.429 3.102 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000284975052 131127620 /nfs/dbraw/zinc/12/76/20/131127620.db2.gz FWEVTFBMXSXRGN-YOEHRIQHSA-N 1 0 317.404 3.402 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c(O)c1 ZINC000285017850 131132174 /nfs/dbraw/zinc/13/21/74/131132174.db2.gz HJBHHYGLIVKLCR-OAHLLOKOSA-N 1 0 322.412 3.441 20 10 DGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1F ZINC000285207448 131147374 /nfs/dbraw/zinc/14/73/74/131147374.db2.gz RDLWFPHTKRKOIZ-UHFFFAOYSA-N 1 0 306.425 3.284 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2cccc(C)n2)c1 ZINC000287502886 131283416 /nfs/dbraw/zinc/28/34/16/131283416.db2.gz NUMKIVZCNRBOAC-CQSZACIVSA-N 1 0 300.402 3.388 20 10 DGCDRO CC[N@H+](Cc1ccncc1)Cc1cc(Cl)cc(OC)c1O ZINC000289143809 131361782 /nfs/dbraw/zinc/36/17/82/131361782.db2.gz ANHMANPAQWKQQN-UHFFFAOYSA-N 1 0 306.793 3.471 20 10 DGCDRO COC(=O)Nc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297376868 132012931 /nfs/dbraw/zinc/01/29/31/132012931.db2.gz QTTZNOJTXQVWLR-HNNXBMFYSA-N 1 0 312.369 3.348 20 10 DGCDRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(N(C)C)cc3)c(C)n2n1 ZINC000120568166 132149038 /nfs/dbraw/zinc/14/90/38/132149038.db2.gz OHEFYUOJSMRZOT-AWEZNQCLSA-N 1 0 323.444 3.263 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000091958845 400141879 /nfs/dbraw/zinc/14/18/79/400141879.db2.gz UMKXDXHEYUTGEC-WBVHZDCISA-N 1 0 301.386 3.382 20 10 DGCDRO CCC[N@H+](CC(=O)NC)Cc1cc(-c2ccccc2)ccc1O ZINC000092381620 400169455 /nfs/dbraw/zinc/16/94/55/400169455.db2.gz AOOKKGAMQAWRHI-UHFFFAOYSA-N 1 0 312.413 3.017 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1O ZINC000143365635 400634559 /nfs/dbraw/zinc/63/45/59/400634559.db2.gz LPGKTAGQXCBWGM-UHFFFAOYSA-N 1 0 311.429 3.346 20 10 DGCDRO COc1c(O)c(C[N@H+](Cc2ccco2)C(C)C)ccc1[N+](=O)[O-] ZINC000278307180 286187094 /nfs/dbraw/zinc/18/70/94/286187094.db2.gz WJOQPLWCQKREIJ-UHFFFAOYSA-N 1 0 320.345 3.313 20 10 DGCDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000269070746 432153013 /nfs/dbraw/zinc/15/30/13/432153013.db2.gz ZZHMNKSJZJXTKF-VXGBXAGGSA-N 1 0 304.356 3.371 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c(O)c1C ZINC000297390234 227104460 /nfs/dbraw/zinc/10/44/60/227104460.db2.gz RSTQKNYNZOGKHM-YOEHRIQHSA-N 1 0 317.404 3.402 20 10 DGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1O ZINC000179623495 228352860 /nfs/dbraw/zinc/35/28/60/228352860.db2.gz RJOSOQZTFWJVTL-INIZCTEOSA-N 1 0 322.412 3.123 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1F ZINC000151454740 432246642 /nfs/dbraw/zinc/24/66/42/432246642.db2.gz XJDOHDAFZHKLAV-WMLDXEAASA-N 1 0 324.465 3.036 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000089726533 274114583 /nfs/dbraw/zinc/11/45/83/274114583.db2.gz FKLNZBCSFJTDGT-HNNXBMFYSA-N 1 0 303.333 3.153 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1F ZINC000113337304 276884054 /nfs/dbraw/zinc/88/40/54/276884054.db2.gz SRNNSKIQTJTFDT-INIZCTEOSA-N 1 0 300.377 3.374 20 10 DGCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H]3CCSC3)cc2)CC1 ZINC000294879402 277194655 /nfs/dbraw/zinc/19/46/55/277194655.db2.gz FBTGUXSQZFYNEK-QGZVFWFLSA-N 1 0 320.502 3.239 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)CC(C)(C)OC)CC2)cc1 ZINC000157401085 277909031 /nfs/dbraw/zinc/90/90/31/277909031.db2.gz ZIGVBVPHBOUQNW-OAHLLOKOSA-N 1 0 320.477 3.457 20 10 DGCDRO COc1cccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1O ZINC000192377780 278012371 /nfs/dbraw/zinc/01/23/71/278012371.db2.gz LISYHYMOYAJWBD-LPHOPBHVSA-N 1 0 313.397 3.268 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000279772523 280011861 /nfs/dbraw/zinc/01/18/61/280011861.db2.gz AKKOPAVPISRSKU-WCQYABFASA-N 1 0 316.367 3.429 20 10 DGCDRO C[C@]1(C[NH2+]Cc2cc(F)ccc2O)OCCc2sccc21 ZINC000291528375 280157367 /nfs/dbraw/zinc/15/73/67/280157367.db2.gz JVAIGNDHANISEA-MRXNPFEDSA-N 1 0 307.390 3.171 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000021048340 431627862 /nfs/dbraw/zinc/62/78/62/431627862.db2.gz WYLYIYKSJUIFGF-CQSZACIVSA-N 1 0 302.443 3.436 20 10 DGCDRO CCCCOCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000119600736 431713244 /nfs/dbraw/zinc/71/32/44/431713244.db2.gz ZFOJTVSUCXOPGA-UHFFFAOYSA-N 1 0 306.450 3.070 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000119685722 431712131 /nfs/dbraw/zinc/71/21/31/431712131.db2.gz PCMBERQPANZTSO-IBGZPJMESA-N 1 0 301.478 3.420 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000037738207 431849644 /nfs/dbraw/zinc/84/96/44/431849644.db2.gz GNGSDYJBOOZQMV-GWCFXTLKSA-N 1 0 314.223 3.232 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000092482592 431909840 /nfs/dbraw/zinc/90/98/40/431909840.db2.gz USMZBOHYWNLTLV-UHFFFAOYSA-N 1 0 323.849 3.214 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000093336606 431914107 /nfs/dbraw/zinc/91/41/07/431914107.db2.gz NDCRTEVBWYPUBQ-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000093769001 431916830 /nfs/dbraw/zinc/91/68/30/431916830.db2.gz OPUDFSHLPALCOE-MLGOLLRUSA-N 1 0 319.426 3.424 20 10 DGCDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000093769002 431916850 /nfs/dbraw/zinc/91/68/50/431916850.db2.gz OPUDFSHLPALCOE-BLLLJJGKSA-N 1 0 319.426 3.424 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000093820008 431916862 /nfs/dbraw/zinc/91/68/62/431916862.db2.gz SYSOWDZEWNFOIG-IBGZPJMESA-N 1 0 300.446 3.289 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000093842424 431917988 /nfs/dbraw/zinc/91/79/88/431917988.db2.gz KKEBCKBJELMLPU-SFHVURJKSA-N 1 0 319.445 3.251 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1 ZINC000090802146 431895897 /nfs/dbraw/zinc/89/58/97/431895897.db2.gz PMPCZLFWXMCKFL-HKUYNNGSSA-N 1 0 324.472 3.467 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1O ZINC000364345481 280972144 /nfs/dbraw/zinc/97/21/44/280972144.db2.gz DCXLYIHURGBLGO-OKZBNKHCSA-N 1 0 318.461 3.076 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000270676036 432275090 /nfs/dbraw/zinc/27/50/90/432275090.db2.gz RNSJCRSJBMWSEW-GOEBONIOSA-N 1 0 307.434 3.474 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccccc1O ZINC000183415437 432291935 /nfs/dbraw/zinc/29/19/35/432291935.db2.gz OFQZGUWRGVNBGI-OAHLLOKOSA-N 1 0 324.424 3.365 20 10 DGCDRO C[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccccc1O ZINC000183417694 432292422 /nfs/dbraw/zinc/29/24/22/432292422.db2.gz NERFMRXFNMYSPZ-AWEZNQCLSA-N 1 0 310.397 3.370 20 10 DGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000183454580 432295085 /nfs/dbraw/zinc/29/50/85/432295085.db2.gz MEMRDQCVXLRMMR-CHWSQXEVSA-N 1 0 319.426 3.208 20 10 DGCDRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183568995 432303961 /nfs/dbraw/zinc/30/39/61/432303961.db2.gz SRWVAQSFTSHIFW-SUMWQHHRSA-N 1 0 301.386 3.175 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000270606062 432264441 /nfs/dbraw/zinc/26/44/41/432264441.db2.gz BRSAUIUNORJHCH-RHSMWYFYSA-N 1 0 307.434 3.474 20 10 DGCDRO CCOc1cccc(C[N@H+](C)Cc2cccc(OC)c2)c1O ZINC000271032083 432318120 /nfs/dbraw/zinc/31/81/20/432318120.db2.gz ZKNBQRWUHBMRHX-UHFFFAOYSA-N 1 0 301.386 3.432 20 10 DGCDRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1O ZINC000183599531 432307405 /nfs/dbraw/zinc/30/74/05/432307405.db2.gz DOAHSWWMIBFGDF-CYBMUJFWSA-N 1 0 316.376 3.002 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)c1O ZINC000271331565 432376419 /nfs/dbraw/zinc/37/64/19/432376419.db2.gz FQGDJBSWUDWAKD-KPZWWZAWSA-N 1 0 319.376 3.406 20 10 DGCDRO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271411570 432391087 /nfs/dbraw/zinc/39/10/87/432391087.db2.gz AFWCSECCLURPDX-UGSOOPFHSA-N 1 0 302.393 3.276 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271411568 432391470 /nfs/dbraw/zinc/39/14/70/432391470.db2.gz AFWCSECCLURPDX-SCLBCKFNSA-N 1 0 302.393 3.276 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)CC1(C[NH3+])CCCCC1 ZINC000184174752 432364191 /nfs/dbraw/zinc/36/41/91/432364191.db2.gz AOJLZWXMLQLMSZ-UHFFFAOYSA-N 1 0 318.461 3.430 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1n1ccnc1 ZINC000271265729 432364902 /nfs/dbraw/zinc/36/49/02/432364902.db2.gz LTOQGRRFMNFXFV-KDOFPFPSSA-N 1 0 316.424 3.171 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1n1ccnc1 ZINC000271265726 432365149 /nfs/dbraw/zinc/36/51/49/432365149.db2.gz LTOQGRRFMNFXFV-KBXCAEBGSA-N 1 0 316.424 3.171 20 10 DGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCCCO)c1O ZINC000192925071 432429308 /nfs/dbraw/zinc/42/93/08/432429308.db2.gz PIGIDTAOQCHKIG-LLVKDONJSA-N 1 0 316.239 3.276 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1O ZINC000192927392 432431115 /nfs/dbraw/zinc/43/11/15/432431115.db2.gz HVTZQUXOSHRFJN-CQSZACIVSA-N 1 0 310.397 3.370 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1O ZINC000271952683 432431999 /nfs/dbraw/zinc/43/19/99/432431999.db2.gz DUPLMPYMSGRTRC-HZPDHXFCSA-N 1 0 307.434 3.474 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000184862245 432440892 /nfs/dbraw/zinc/44/08/92/432440892.db2.gz PRJBVTZKDXMGRK-ZDUSSCGKSA-N 1 0 324.424 3.221 20 10 DGCDRO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185027475 432457844 /nfs/dbraw/zinc/45/78/44/432457844.db2.gz OQCCFVITZAVAPO-GFCCVEGCSA-N 1 0 316.376 3.132 20 10 DGCDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)c1cccc(F)c1 ZINC000271858905 432426274 /nfs/dbraw/zinc/42/62/74/432426274.db2.gz VLGQGKGTAPWURF-BMIGLBTASA-N 1 0 309.768 3.396 20 10 DGCDRO C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000185206505 432477147 /nfs/dbraw/zinc/47/71/47/432477147.db2.gz JIRXXPYDRIDXPU-ZNMIVQPWSA-N 1 0 324.440 3.071 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1O ZINC000193504241 432478237 /nfs/dbraw/zinc/47/82/37/432478237.db2.gz BQVGLWQCVIKKPR-JSGCOSHPSA-N 1 0 316.367 3.317 20 10 DGCDRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185215443 432479205 /nfs/dbraw/zinc/47/92/05/432479205.db2.gz UUPGXOPUTBSEOK-CYBMUJFWSA-N 1 0 322.424 3.219 20 10 DGCDRO COCCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000185225083 432480036 /nfs/dbraw/zinc/48/00/36/432480036.db2.gz XLAVZDHGEDUJAV-UHFFFAOYSA-N 1 0 321.417 3.198 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC000185291489 432487039 /nfs/dbraw/zinc/48/70/39/432487039.db2.gz OXZRJDPAWXTCBX-GFCCVEGCSA-N 1 0 316.367 3.378 20 10 DGCDRO COCC[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185290240 432487446 /nfs/dbraw/zinc/48/74/46/432487446.db2.gz QMHOHFNYMGLVFZ-NXEZZACHSA-N 1 0 302.212 3.230 20 10 DGCDRO CCc1nc(CC[NH2+][C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000185310722 432488514 /nfs/dbraw/zinc/48/85/14/432488514.db2.gz MRUHBSIFSMWYHX-NSHDSACASA-N 1 0 306.431 3.313 20 10 DGCDRO CCc1nc(CC[NH2+][C@H](C)c2cc(OC)ccc2O)cs1 ZINC000185310741 432489693 /nfs/dbraw/zinc/48/96/93/432489693.db2.gz MRUHBSIFSMWYHX-LLVKDONJSA-N 1 0 306.431 3.313 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185419594 432498580 /nfs/dbraw/zinc/49/85/80/432498580.db2.gz PIFMQCNOBZFKFB-FZKQIMNGSA-N 1 0 301.386 3.093 20 10 DGCDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185419611 432499409 /nfs/dbraw/zinc/49/94/09/432499409.db2.gz PIFMQCNOBZFKFB-SCLBCKFNSA-N 1 0 301.386 3.093 20 10 DGCDRO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185438166 432500587 /nfs/dbraw/zinc/50/05/87/432500587.db2.gz YBEPKMUIOWCNDU-BFVZDQMLSA-N 1 0 316.239 3.212 20 10 DGCDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000193918270 432508151 /nfs/dbraw/zinc/50/81/51/432508151.db2.gz QTZYUANMHPZPBF-ZIAGYGMSSA-N 1 0 312.413 3.207 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1 ZINC000185529026 432508560 /nfs/dbraw/zinc/50/85/60/432508560.db2.gz PYILAMGWWRESSV-BDJLRTHQSA-N 1 0 307.415 3.021 20 10 DGCDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1cc(Cl)ccc1O ZINC000185052219 432460854 /nfs/dbraw/zinc/46/08/54/432460854.db2.gz BOSURPVZOCCYJR-LLVKDONJSA-N 1 0 311.809 3.382 20 10 DGCDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cn1 ZINC000185084159 432463753 /nfs/dbraw/zinc/46/37/53/432463753.db2.gz LBLCQZVKUQOQHI-AWEZNQCLSA-N 1 0 322.412 3.441 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(Br)cc1O ZINC000185090269 432465924 /nfs/dbraw/zinc/46/59/24/432465924.db2.gz QSYHMVJZDHNJHY-WDEREUQCSA-N 1 0 314.223 3.232 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1O ZINC000185122167 432469091 /nfs/dbraw/zinc/46/90/91/432469091.db2.gz VDCSXADDZVQGKQ-GPNNCHTKSA-N 1 0 303.789 3.355 20 10 DGCDRO CCCOc1ncccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185143228 432470639 /nfs/dbraw/zinc/47/06/39/432470639.db2.gz NOBMFHMDUALVAO-CYBMUJFWSA-N 1 0 316.401 3.435 20 10 DGCDRO CCNC(=O)c1cccc(C[NH2+][C@H](CC)c2ccccc2O)c1 ZINC000155358121 432551103 /nfs/dbraw/zinc/55/11/03/432551103.db2.gz VDSCRFRRBJUZGW-QGZVFWFLSA-N 1 0 312.413 3.383 20 10 DGCDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1=O ZINC000186048149 432553845 /nfs/dbraw/zinc/55/38/45/432553845.db2.gz NINODEFMXMBVNH-SUMWQHHRSA-N 1 0 312.413 3.205 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(C(=O)CC(C)C)CC1)c1ccccc1O ZINC000155418528 432554071 /nfs/dbraw/zinc/55/40/71/432554071.db2.gz KSXSBZFVHBZYSA-KRWDZBQOSA-N 1 0 318.461 3.470 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ncccc2Cl)c1 ZINC000186107069 432559602 /nfs/dbraw/zinc/55/96/02/432559602.db2.gz IMGYEBZSFDMZRM-NSHDSACASA-N 1 0 322.792 3.179 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)cc(OC)c2)c1 ZINC000186216656 432570148 /nfs/dbraw/zinc/57/01/48/432570148.db2.gz XRWIHVDYWNTHSG-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCCN(C(C)C)C1=O ZINC000177027145 432575315 /nfs/dbraw/zinc/57/53/15/432575315.db2.gz SWEYVQHCXWGGOT-MRXNPFEDSA-N 1 0 304.434 3.004 20 10 DGCDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1O ZINC000273460966 432600299 /nfs/dbraw/zinc/60/02/99/432600299.db2.gz CSGYXNRULUVTMA-NSHDSACASA-N 1 0 304.321 3.333 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCCN(c3nccs3)CC2)cc1C ZINC000195089103 432601993 /nfs/dbraw/zinc/60/19/93/432601993.db2.gz FOCRMWHZDZPJEB-UHFFFAOYSA-N 1 0 317.458 3.178 20 10 DGCDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273467134 432602838 /nfs/dbraw/zinc/60/28/38/432602838.db2.gz DZMSIINDUJZIHX-QMTHXVAHSA-N 1 0 316.239 3.356 20 10 DGCDRO Cc1ccc(O)c(CN2CCSC[C@@H]2c2nccs2)c1 ZINC000186662016 432619531 /nfs/dbraw/zinc/61/95/31/432619531.db2.gz QQZYXUZHHAITLS-CYBMUJFWSA-N 1 0 306.456 3.447 20 10 DGCDRO COc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1O ZINC000273706741 432629308 /nfs/dbraw/zinc/62/93/08/432629308.db2.gz FHLPFJGBHYKCEP-HNNXBMFYSA-N 1 0 324.852 3.114 20 10 DGCDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000186822755 432632229 /nfs/dbraw/zinc/63/22/29/432632229.db2.gz XKFHFWSSKYVCOT-MRXNPFEDSA-N 1 0 317.477 3.196 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCn2ccnc2)c1O ZINC000186926785 432637842 /nfs/dbraw/zinc/63/78/42/432637842.db2.gz IBWBBUYQEMNUBH-NSHDSACASA-N 1 0 324.222 3.010 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000227684617 432714220 /nfs/dbraw/zinc/71/42/20/432714220.db2.gz UWIZBLKDBCXMJW-OLZOCXBDSA-N 1 0 308.422 3.264 20 10 DGCDRO O=C(C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1)C(F)(F)F ZINC000187654561 432675300 /nfs/dbraw/zinc/67/53/00/432675300.db2.gz RGMWIYRHVNWTDJ-UHFFFAOYSA-N 1 0 321.726 3.389 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276164490 432778413 /nfs/dbraw/zinc/77/84/13/432778413.db2.gz HMWUTNSIXXCFGA-KRWDZBQOSA-N 1 0 316.445 3.114 20 10 DGCDRO CO[C@H](C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000276981552 432828035 /nfs/dbraw/zinc/82/80/35/432828035.db2.gz WAJSFKAUMJJHSZ-NXEZZACHSA-N 1 0 302.212 3.149 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000278427055 432895787 /nfs/dbraw/zinc/89/57/87/432895787.db2.gz JCIJOCOGBKZMFX-DZGCQCFKSA-N 1 0 304.434 3.068 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000278427063 432896016 /nfs/dbraw/zinc/89/60/16/432896016.db2.gz JCIJOCOGBKZMFX-UKRRQHHQSA-N 1 0 304.434 3.068 20 10 DGCDRO C[C@H](CCCCO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000296236005 432886873 /nfs/dbraw/zinc/88/68/73/432886873.db2.gz CGSSYTUOFFSJGO-GHMZBOCLSA-N 1 0 316.239 3.356 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)CC2 ZINC000296240661 432887349 /nfs/dbraw/zinc/88/73/49/432887349.db2.gz ATCKIEUGYGVTPQ-ZBFHGGJFSA-N 1 0 303.789 3.356 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000278302150 432890884 /nfs/dbraw/zinc/89/08/84/432890884.db2.gz AAUYYZBSGCJJCS-INIZCTEOSA-N 1 0 309.768 3.316 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@@]3(CCSC3)C1)CC2 ZINC000297028271 432950486 /nfs/dbraw/zinc/95/04/86/432950486.db2.gz UQHWBLGCCOCYDT-CPUCHLNUSA-N 1 0 305.443 3.024 20 10 DGCDRO Oc1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000289243210 432937311 /nfs/dbraw/zinc/93/73/11/432937311.db2.gz DTZSPRUOOBQYOT-QYZOEREBSA-N 1 0 309.409 3.397 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C(=O)N(C)CC)C(C)C)c1ccc(C)cc1O ZINC000296537920 432920705 /nfs/dbraw/zinc/92/07/05/432920705.db2.gz QUVLYPJSXSJCDI-WBVHZDCISA-N 1 0 306.450 3.244 20 10 DGCDRO Cc1nnc(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000289938404 432978518 /nfs/dbraw/zinc/97/85/18/432978518.db2.gz VUZBIUQLUKBWNR-LLVKDONJSA-N 1 0 317.458 3.324 20 10 DGCDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000290004738 432982485 /nfs/dbraw/zinc/98/24/85/432982485.db2.gz DFDCPAAIKVFXLZ-WMZOPIPTSA-N 1 0 302.462 3.270 20 10 DGCDRO CC[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(C)cc1O ZINC000280024241 432999817 /nfs/dbraw/zinc/99/98/17/432999817.db2.gz HOZMGSNMHNNXIJ-INIZCTEOSA-N 1 0 318.461 3.390 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(C)cc1O ZINC000280113117 433001489 /nfs/dbraw/zinc/00/14/89/433001489.db2.gz NSKRAFFMCPHDML-ZBFHGGJFSA-N 1 0 305.418 3.427 20 10 DGCDRO CC[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(C)cc1O ZINC000280083114 433001709 /nfs/dbraw/zinc/00/17/09/433001709.db2.gz LWBLCKUDWDKLOD-OAHLLOKOSA-N 1 0 317.458 3.286 20 10 DGCDRO C[C@@H](O)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280533090 433074135 /nfs/dbraw/zinc/07/41/35/433074135.db2.gz IPWRAGYRHAPHJH-LLVKDONJSA-N 1 0 304.356 3.022 20 10 DGCDRO CSC1(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000290569236 433101911 /nfs/dbraw/zinc/10/19/11/433101911.db2.gz YGGGEPALPWTHTM-UHFFFAOYSA-N 1 0 320.502 3.241 20 10 DGCDRO Oc1cc2c(cc1C[NH2+][C@H]1C[C@H](c3cccc(F)c3)C1)OCO2 ZINC000280626419 433115913 /nfs/dbraw/zinc/11/59/13/433115913.db2.gz LOUHGIQFPRUXOY-NNUKFRKNSA-N 1 0 315.344 3.296 20 10 DGCDRO CCOCc1cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)ccc1OC ZINC000290939284 433212828 /nfs/dbraw/zinc/21/28/28/433212828.db2.gz PSIMIGWQTKVUDN-SFHVURJKSA-N 1 0 321.461 3.118 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1C ZINC000291185426 433228686 /nfs/dbraw/zinc/22/86/86/433228686.db2.gz FZTFUMBZENSKMN-FQEVSTJZSA-N 1 0 311.425 3.145 20 10 DGCDRO c1cnn([C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)c1 ZINC000291365112 433234440 /nfs/dbraw/zinc/23/44/40/433234440.db2.gz YTRBKZALIAPNHB-IBGZPJMESA-N 1 0 310.445 3.320 20 10 DGCDRO Cc1cccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1O ZINC000281133943 433264412 /nfs/dbraw/zinc/26/44/12/433264412.db2.gz NSALAJOHZOBCNA-QGZVFWFLSA-N 1 0 324.424 3.186 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)cc1OC ZINC000291561466 433270921 /nfs/dbraw/zinc/27/09/21/433270921.db2.gz NDMCKEGKBOXPKE-QGZVFWFLSA-N 1 0 303.402 3.174 20 10 DGCDRO CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCCO1 ZINC000281226238 433275021 /nfs/dbraw/zinc/27/50/21/433275021.db2.gz BZBGRRKNLVABNR-CQSZACIVSA-N 1 0 311.809 3.249 20 10 DGCDRO Cc1cc(C[NH2+]Cc2cc(F)ccc2O)cc(N2CCCC2)n1 ZINC000291606907 433284547 /nfs/dbraw/zinc/28/45/47/433284547.db2.gz QSWAOWSNXCXXHV-UHFFFAOYSA-N 1 0 315.392 3.125 20 10 DGCDRO CCCc1nc(C)c(C[NH2+]Cc2cc(OCC)ccc2O)o1 ZINC000291826511 433364894 /nfs/dbraw/zinc/36/48/94/433364894.db2.gz ZTWPHMSPVXGMRR-UHFFFAOYSA-N 1 0 304.390 3.330 20 10 DGCDRO COc1cccc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1O ZINC000291765097 433342011 /nfs/dbraw/zinc/34/20/11/433342011.db2.gz SASOBJFOAYFEKM-PIGZYNQJSA-N 1 0 319.426 3.254 20 10 DGCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc2ccccc2c1O ZINC000282315475 433562798 /nfs/dbraw/zinc/56/27/98/433562798.db2.gz NHNANVXMGUJPJN-XUSGNXJCSA-N 1 0 303.427 3.107 20 10 DGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1O ZINC000282827850 433629881 /nfs/dbraw/zinc/62/98/81/433629881.db2.gz BLSNGBYBJQDMJF-AWEZNQCLSA-N 1 0 305.809 3.255 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1O ZINC000293138653 433631525 /nfs/dbraw/zinc/63/15/25/433631525.db2.gz STKZHKNQPUFVMG-QGZVFWFLSA-N 1 0 323.408 3.011 20 10 DGCDRO CCCC[N@H+](CC(=O)Nc1nccs1)Cc1ccccc1O ZINC000282560603 433618014 /nfs/dbraw/zinc/61/80/14/433618014.db2.gz YHLQYZYBKHWWJI-UHFFFAOYSA-N 1 0 319.430 3.090 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cc(Cl)ccc1O ZINC000376299101 433708399 /nfs/dbraw/zinc/70/83/99/433708399.db2.gz AIQOYTBOBIYCPY-NORZTCDRSA-N 1 0 311.809 3.034 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c(O)c1 ZINC000293587696 433794751 /nfs/dbraw/zinc/79/47/51/433794751.db2.gz FFXQICPYGLTUBB-ZDUSSCGKSA-N 1 0 308.422 3.184 20 10 DGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c(O)c1 ZINC000293630675 433807118 /nfs/dbraw/zinc/80/71/18/433807118.db2.gz HNORCKDQGKGDFM-CVEARBPZSA-N 1 0 307.434 3.245 20 10 DGCDRO COc1cccc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)c1O ZINC000377353842 433862901 /nfs/dbraw/zinc/86/29/01/433862901.db2.gz DIWRHJZZNIVMJD-AWEZNQCLSA-N 1 0 323.396 3.437 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ncc(CSC)s2)c1O ZINC000293863983 433900775 /nfs/dbraw/zinc/90/07/75/433900775.db2.gz IMTUSELRCNRMTO-UHFFFAOYSA-N 1 0 310.444 3.010 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(C)cc1O ZINC000377580357 433918042 /nfs/dbraw/zinc/91/80/42/433918042.db2.gz BPLNGMKORGTFRJ-FCEWJHQRSA-N 1 0 313.397 3.236 20 10 DGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1O ZINC000377834123 434013610 /nfs/dbraw/zinc/01/36/10/434013610.db2.gz JEKZWTZMFQFTOX-HZPDHXFCSA-N 1 0 319.445 3.430 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000285609392 434014840 /nfs/dbraw/zinc/01/48/40/434014840.db2.gz JAXHVWATHKHQTA-LLVKDONJSA-N 1 0 324.222 3.010 20 10 DGCDRO COc1cccc(C[NH2+][C@H]2COc3c2cccc3Cl)c1O ZINC000378088620 434078968 /nfs/dbraw/zinc/07/89/68/434078968.db2.gz HTSGAVQHYUPTSV-ZDUSSCGKSA-N 1 0 305.761 3.278 20 10 DGCDRO Cc1cnccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294502053 434117224 /nfs/dbraw/zinc/11/72/24/434117224.db2.gz BJYPJLQFGAHROJ-SFHVURJKSA-N 1 0 312.413 3.277 20 10 DGCDRO CCC[NH2+][C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000294718909 434129867 /nfs/dbraw/zinc/12/98/67/434129867.db2.gz HXTUYKHXGPWNFD-MRXNPFEDSA-N 1 0 317.477 3.023 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c(O)c1 ZINC000294786304 434144175 /nfs/dbraw/zinc/14/41/75/434144175.db2.gz OBHXNXZNSAMBCB-WMLDXEAASA-N 1 0 308.491 3.097 20 10 DGCDRO Cc1cc(O)c(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc1C ZINC000294895344 434148962 /nfs/dbraw/zinc/14/89/62/434148962.db2.gz WUIQMTUPRCUXSF-UHFFFAOYSA-N 1 0 324.424 3.273 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)c2ccccn2)c1 ZINC000294923856 434154785 /nfs/dbraw/zinc/15/47/85/434154785.db2.gz YYGPXVUEISZGMD-ZDUSSCGKSA-N 1 0 300.402 3.424 20 10 DGCDRO Cc1cccnc1CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000294964842 434155624 /nfs/dbraw/zinc/15/56/24/434155624.db2.gz IPWYWTISFWREBD-UHFFFAOYSA-N 1 0 301.409 3.318 20 10 DGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C2 ZINC000363869338 434174804 /nfs/dbraw/zinc/17/48/04/434174804.db2.gz UCAAULTVSJYMAG-HZMBPMFUSA-N 1 0 317.820 3.352 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1O ZINC000364345479 434268522 /nfs/dbraw/zinc/26/85/22/434268522.db2.gz DCXLYIHURGBLGO-BZSNNMDCSA-N 1 0 318.461 3.076 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000295867334 434441110 /nfs/dbraw/zinc/44/11/10/434441110.db2.gz GYAXHPNXZIROKE-MSOLQXFVSA-N 1 0 308.425 3.244 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC000367070173 434538487 /nfs/dbraw/zinc/53/84/87/434538487.db2.gz ARLQIAQZPGYZJB-UHFFFAOYSA-N 1 0 300.446 3.432 20 10 DGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368127885 434566930 /nfs/dbraw/zinc/56/69/30/434566930.db2.gz XYZSYQQNFBPZOF-ZDUSSCGKSA-N 1 0 312.200 3.343 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CCC2)CC1 ZINC000368591935 434577737 /nfs/dbraw/zinc/57/77/37/434577737.db2.gz JHIUSAZUSURFMH-UHFFFAOYSA-N 1 0 300.446 3.289 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000368624037 434580900 /nfs/dbraw/zinc/58/09/00/434580900.db2.gz KTXOMHKFMCGBPH-OAHLLOKOSA-N 1 0 324.852 3.114 20 10 DGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C2 ZINC000370671188 434615530 /nfs/dbraw/zinc/61/55/30/434615530.db2.gz OFBSIWGFCBOHFC-DYVFJYSZSA-N 1 0 310.445 3.059 20 10 DGCDRO O[C@]1(C2CC2)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000369682064 434598983 /nfs/dbraw/zinc/59/89/83/434598983.db2.gz BVGNQGLGCOIALQ-LJQANCHMSA-N 1 0 300.446 3.024 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c1 ZINC000371426694 434701590 /nfs/dbraw/zinc/70/15/90/434701590.db2.gz YUUANIZCFRSIBS-AWEZNQCLSA-N 1 0 313.397 3.399 20 10 DGCDRO CN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccc(OCc2ccccc2)cc1 ZINC000638321142 435005451 /nfs/dbraw/zinc/00/54/51/435005451.db2.gz WEIGVCMJJHUPTM-KRWDZBQOSA-N 1 0 322.408 3.276 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@H]2O)c(O)c1C ZINC000290490641 301788521 /nfs/dbraw/zinc/78/85/21/301788521.db2.gz XTTPYHWLMVXZOC-IYJAJMOOSA-N 1 0 313.397 3.154 20 10 DGCDRO Oc1ccc(F)cc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000272329490 334032813 /nfs/dbraw/zinc/03/28/13/334032813.db2.gz WBOSAAUJRTUZBF-IBGZPJMESA-N 1 0 315.388 3.477 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000283686880 334140966 /nfs/dbraw/zinc/14/09/66/334140966.db2.gz IHEWQVMHMLNLBO-OAHLLOKOSA-N 1 0 321.465 3.044 20 10 DGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)OCCCO3)cc1 ZINC000293705355 334201265 /nfs/dbraw/zinc/20/12/65/334201265.db2.gz RYRHIGXWFKIVMR-UHFFFAOYSA-N 1 0 318.461 3.262 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCS3)CC2)cc1 ZINC000168684233 534000491 /nfs/dbraw/zinc/00/04/91/534000491.db2.gz FPOFWLJWPXUNKP-KRWDZBQOSA-N 1 0 306.475 3.149 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)c1 ZINC000185750841 534203918 /nfs/dbraw/zinc/20/39/18/534203918.db2.gz GSKDCHHJHCTYBV-LLVKDONJSA-N 1 0 306.793 3.343 20 10 DGCDRO CCCNC(=O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000158351422 519880875 /nfs/dbraw/zinc/88/08/75/519880875.db2.gz XAYGFBTXXSRDLO-MRXNPFEDSA-N 1 0 317.477 3.244 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)o2)cc1 ZINC000268997168 520284779 /nfs/dbraw/zinc/28/47/79/520284779.db2.gz OBDBBVZWHVLOGP-RHSMWYFYSA-N 1 0 302.418 3.428 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCc2cnn(C)c2)cc1 ZINC000158234396 520285242 /nfs/dbraw/zinc/28/52/42/520285242.db2.gz CCQPHBUDTXKAAI-OAHLLOKOSA-N 1 0 300.450 3.160 20 10 DGCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179948032 520369965 /nfs/dbraw/zinc/36/99/65/520369965.db2.gz FYBVEUMQAPGMCD-UHFFFAOYSA-N 1 0 322.424 3.002 20 10 DGCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179938296 521050886 /nfs/dbraw/zinc/05/08/86/521050886.db2.gz MZJLKAXHTZRSFD-DOTOQJQBSA-N 1 0 318.461 3.217 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC1CCCC1 ZINC000266536840 521690594 /nfs/dbraw/zinc/69/05/94/521690594.db2.gz HKUZWHPGDAGXKI-AWEZNQCLSA-N 1 0 304.434 3.052 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@@H](O)c1c(F)cccc1F ZINC000266341616 522657291 /nfs/dbraw/zinc/65/72/91/522657291.db2.gz YLKVZFIGERBHIO-WMLDXEAASA-N 1 0 307.340 3.272 20 10 DGCDRO CC[C@@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000227683652 522933560 /nfs/dbraw/zinc/93/35/60/522933560.db2.gz JNFLENOORQVLII-TZMCWYRMSA-N 1 0 308.422 3.346 20 10 DGCDRO C[N@@H+](Cc1ccccc1O)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160540445 523384911 /nfs/dbraw/zinc/38/49/11/523384911.db2.gz BBRUIHGTADVWPQ-UHFFFAOYSA-N 1 0 318.461 3.109 20 10 DGCDRO Cc1cccc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)c1O ZINC000182646973 524431120 /nfs/dbraw/zinc/43/11/20/524431120.db2.gz JUJFLATXAKNPSO-UHFFFAOYSA-N 1 0 322.412 3.306 20 10 DGCDRO Cc1cccc(C[NH2+]CCCc2nc3ccccc3n2C)c1O ZINC000181346565 524433110 /nfs/dbraw/zinc/43/31/10/524433110.db2.gz UVDFLIRFWVNELW-UHFFFAOYSA-N 1 0 309.413 3.310 20 10 DGCDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000156041155 524508391 /nfs/dbraw/zinc/50/83/91/524508391.db2.gz LWHWVBQDHMIGEF-AWEZNQCLSA-N 1 0 315.413 3.472 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000182410377 524763096 /nfs/dbraw/zinc/76/30/96/524763096.db2.gz YQIGUIKVXOLDKE-PIGZYNQJSA-N 1 0 321.804 3.438 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)ccc2OC)c1 ZINC000182409365 524772742 /nfs/dbraw/zinc/77/27/42/524772742.db2.gz BJNGWGIHSWUXLY-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Cl)c1ccc(F)cc1 ZINC000157813913 525177225 /nfs/dbraw/zinc/17/72/25/525177225.db2.gz GBUYODSDLAIBOB-INIZCTEOSA-N 1 0 309.768 3.182 20 10 DGCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000266133738 525180035 /nfs/dbraw/zinc/18/00/35/525180035.db2.gz DPKNWYOMCLCCCY-IBGZPJMESA-N 1 0 314.429 3.267 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000269896292 526431976 /nfs/dbraw/zinc/43/19/76/526431976.db2.gz DNGCHOZMEINEGH-IPMKNSEASA-N 1 0 312.457 3.334 20 10 DGCDRO CO[C@H](C)c1nc(C[NH2+][C@H]2CCc3cccc(O)c32)cs1 ZINC000297946435 536514417 /nfs/dbraw/zinc/51/44/17/536514417.db2.gz YJSFVOGHRQBIBQ-MFKMUULPSA-N 1 0 304.415 3.333 20 10 DGCDRO CC1(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)COC1 ZINC000375786718 527982810 /nfs/dbraw/zinc/98/28/10/527982810.db2.gz FIIPMQPIXIORBE-UHFFFAOYSA-N 1 0 322.452 3.375 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@@H]1SC ZINC000459506326 535409472 /nfs/dbraw/zinc/40/94/72/535409472.db2.gz PQSHFBGKJMHIOC-OLMNPRSZSA-N 1 0 318.486 3.485 20 10 DGCDRO CCOc1cccc(C[NH2+]CC[C@H](O)c2ccccc2)c1O ZINC000289467427 535459063 /nfs/dbraw/zinc/45/90/63/535459063.db2.gz PACCNGGHCIFMRQ-INIZCTEOSA-N 1 0 301.386 3.004 20 10 DGCDRO CCOc1cccc(C[NH2+]Cc2ccnc(OC(F)F)c2)c1O ZINC000283808473 535460390 /nfs/dbraw/zinc/46/03/90/535460390.db2.gz BHKZAZFEAJINJT-UHFFFAOYSA-N 1 0 324.327 3.077 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](c2nncn2C)C(C)C)cc1 ZINC000285617967 535686988 /nfs/dbraw/zinc/68/69/88/535686988.db2.gz WIOQJCJALWUMIQ-QGZVFWFLSA-N 1 0 315.465 3.148 20 10 DGCDRO COCc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)ccc1F ZINC000297573415 536716441 /nfs/dbraw/zinc/71/64/41/536716441.db2.gz GUMAWZJVFLMZIB-INIZCTEOSA-N 1 0 301.361 3.455 20 10 DGCDRO COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000285488004 536855613 /nfs/dbraw/zinc/85/56/13/536855613.db2.gz BXLZEHOCKWGAIW-GFCCVEGCSA-N 1 0 318.442 3.452 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000280130540 546379492 /nfs/dbraw/zinc/37/94/92/546379492.db2.gz DJCLYZXQZCRORX-GFCCVEGCSA-N 1 0 316.367 3.240 20 10 DGCDRO CC(C)OC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000730563350 574531795 /nfs/dbraw/zinc/53/17/95/574531795.db2.gz AZMSESUYMQVBPK-UHFFFAOYSA-N 1 0 300.402 3.330 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000730807120 574536481 /nfs/dbraw/zinc/53/64/81/574536481.db2.gz NJLQLOSPNIQXIK-MRXNPFEDSA-N 1 0 311.429 3.001 20 10 DGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000731284232 574546334 /nfs/dbraw/zinc/54/63/34/574546334.db2.gz NHVKZMKMWSBSEY-HNNXBMFYSA-N 1 0 321.465 3.044 20 10 DGCDRO CCCCN(CCCC)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000731843134 574560048 /nfs/dbraw/zinc/56/00/48/574560048.db2.gz ZGYVFCUKKWWHFH-UHFFFAOYSA-N 1 0 306.450 3.253 20 10 DGCDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)CC1 ZINC000731872882 574560711 /nfs/dbraw/zinc/56/07/11/574560711.db2.gz SXRLFUWBABMQOR-AWEZNQCLSA-N 1 0 322.474 3.038 20 10 DGCDRO C[N@H+](CC(=O)NCCCC1CCCCC1)Cc1ccccc1O ZINC000732203039 574567834 /nfs/dbraw/zinc/56/78/34/574567834.db2.gz METVILTUERYBHG-UHFFFAOYSA-N 1 0 318.461 3.301 20 10 DGCDRO O=C(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)NC1CCCC1 ZINC000732230488 574568763 /nfs/dbraw/zinc/56/87/63/574568763.db2.gz IBMJEXSIWMOHHT-UHFFFAOYSA-N 1 0 324.424 3.208 20 10 DGCDRO COc1ccc(OCC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000733322335 574615540 /nfs/dbraw/zinc/61/55/40/574615540.db2.gz HOCVHGRUYXXRLN-UHFFFAOYSA-N 1 0 307.777 3.223 20 10 DGCDRO COC(=O)CCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000734844155 574678688 /nfs/dbraw/zinc/67/86/88/574678688.db2.gz WPHLDUASNGDTET-UHFFFAOYSA-N 1 0 304.434 3.062 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000738103938 574859239 /nfs/dbraw/zinc/85/92/39/574859239.db2.gz HVOCOXQWBCMIJY-MRXNPFEDSA-N 1 0 311.429 3.001 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)CCOC[C@@H]2CCCO2)cc1 ZINC000741244835 574954222 /nfs/dbraw/zinc/95/42/22/574954222.db2.gz KKWQTFBZFZPRJR-IBGZPJMESA-N 1 0 320.477 3.160 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1 ZINC000741754243 574968737 /nfs/dbraw/zinc/96/87/37/574968737.db2.gz MBTDFJJQZYYJCJ-MRXNPFEDSA-N 1 0 314.433 3.214 20 10 DGCDRO CCOc1cccc(C[NH2+]CCCC(=O)OC(C)(C)C)c1O ZINC000744450330 575343742 /nfs/dbraw/zinc/34/37/42/575343742.db2.gz REZXLZYSBSCXDM-UHFFFAOYSA-N 1 0 309.406 3.002 20 10 DGCDRO CCOc1ccc(C[NH2+]C(CC)(CC)CC(=O)OC)c(O)c1 ZINC000749288192 575642722 /nfs/dbraw/zinc/64/27/22/575642722.db2.gz YGKPKSXTLXJDCH-UHFFFAOYSA-N 1 0 309.406 3.002 20 10 DGCDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000749571743 575665596 /nfs/dbraw/zinc/66/55/96/575665596.db2.gz BQXPVVSQXLGAIX-SFHVURJKSA-N 1 0 317.477 3.023 20 10 DGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([NH2+]C(C)C)C2)c1O ZINC000750045237 575699898 /nfs/dbraw/zinc/69/98/98/575699898.db2.gz NLXHEYFJMSZWQE-OAHLLOKOSA-N 1 0 324.852 3.211 20 10 DGCDRO Oc1ccccc1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000725851637 575932810 /nfs/dbraw/zinc/93/28/10/575932810.db2.gz VFQWPQALXOKWAT-UHFFFAOYSA-N 1 0 320.396 3.051 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)ccc1N1CCCCC1 ZINC000852663954 620638745 /nfs/dbraw/zinc/63/87/45/620638745.db2.gz AIDAJEUNJDKQQZ-RTBURBONSA-N 1 0 314.473 3.454 20 10 DGCDRO CC1=CC[C@](C)(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000852791546 620649115 /nfs/dbraw/zinc/64/91/15/620649115.db2.gz JBCABPGSXSKPGQ-HKUYNNGSSA-N 1 0 315.461 3.005 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c1 ZINC000853521369 620706062 /nfs/dbraw/zinc/70/60/62/620706062.db2.gz ZVRQVVPORMXPOF-UHFFFAOYSA-N 1 0 322.449 3.356 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1O ZINC000853582362 620712278 /nfs/dbraw/zinc/71/22/78/620712278.db2.gz LQWPHMIHLCODNP-UHFFFAOYSA-N 1 0 317.429 3.100 20 10 DGCDRO C[N@H+](CCC(=O)NCc1cccc(Cl)c1O)C1CCCCC1 ZINC000890759850 617656904 /nfs/dbraw/zinc/65/69/04/617656904.db2.gz SFOIXXZWNCPENV-UHFFFAOYSA-N 1 0 324.852 3.316 20 10 DGCDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000806134151 617676425 /nfs/dbraw/zinc/67/64/25/617676425.db2.gz VAUWVVXQOWUEHV-ROUUACIJSA-N 1 0 302.462 3.438 20 10 DGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c(O)c1OC ZINC000891717352 617878680 /nfs/dbraw/zinc/87/86/80/617878680.db2.gz DWDALBNVGNSIPQ-CYBMUJFWSA-N 1 0 318.373 3.043 20 10 DGCDRO CCc1cc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c(O)c(C(C)(C)C)c1 ZINC000919941868 620773060 /nfs/dbraw/zinc/77/30/60/620773060.db2.gz XPHWRKBBTNFRAC-CQSZACIVSA-N 1 0 319.445 3.247 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccco2)c(O)c1OC ZINC000892415591 618060456 /nfs/dbraw/zinc/06/04/56/618060456.db2.gz KYILIQHFTYKTDS-LBPRGKRZSA-N 1 0 305.374 3.113 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccns3)C2)cc1 ZINC000926611508 618060896 /nfs/dbraw/zinc/06/08/96/618060896.db2.gz LYQFWPHCVQGCBK-ZIAGYGMSSA-N 1 0 317.458 3.329 20 10 DGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3c(C)noc3C)C2)cc1 ZINC000926680217 618086134 /nfs/dbraw/zinc/08/61/34/618086134.db2.gz KZWOGJUJYHFODS-WFASDCNBSA-N 1 0 315.417 3.230 20 10 DGCDRO CCc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)s1 ZINC000892572991 618110639 /nfs/dbraw/zinc/11/06/39/618110639.db2.gz OYDOPMARMICYSA-UHFFFAOYSA-N 1 0 307.415 3.323 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2c1c(F)ccc2O ZINC000840886659 618129191 /nfs/dbraw/zinc/12/91/91/618129191.db2.gz KQHXSBSUPMVGRN-RYVSBMNDSA-N 1 0 315.335 3.218 20 10 DGCDRO OCC1CCN(c2ccc(C[NH2+]CCc3ccccc3)cc2)CC1 ZINC000920182291 620789011 /nfs/dbraw/zinc/78/90/11/620789011.db2.gz NMMKVHSAHAFSJA-UHFFFAOYSA-N 1 0 324.468 3.228 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)c2ncc(C)s2)c1O ZINC000894460427 618342339 /nfs/dbraw/zinc/34/23/39/618342339.db2.gz OSEBEONHNHREGK-LLVKDONJSA-N 1 0 306.431 3.367 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000894474820 618349286 /nfs/dbraw/zinc/34/92/86/618349286.db2.gz YRUXULXYZJFFHQ-UHFFFAOYSA-N 1 0 319.351 3.154 20 10 DGCDRO C[C@]1(Br)C[C@@H]1C[NH2+]CCCSc1nccs1 ZINC000893044589 618402408 /nfs/dbraw/zinc/40/24/08/618402408.db2.gz IEZQHUITSUDWBT-KOLCDFICSA-N 1 0 321.309 3.388 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(C)cc(Cl)n2)c1O ZINC000894664924 618415449 /nfs/dbraw/zinc/41/54/49/618415449.db2.gz IUPIKLYIWUZMAY-UHFFFAOYSA-N 1 0 306.793 3.356 20 10 DGCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C[C@@H]1OC ZINC000893172116 618458540 /nfs/dbraw/zinc/45/85/40/618458540.db2.gz MCIOFWQFCOACOD-CABCVRRESA-N 1 0 323.433 3.093 20 10 DGCDRO COc1ccc(C[NH2+]C2CCC(OC(C)C)CC2)c(O)c1OC ZINC000893182678 618464608 /nfs/dbraw/zinc/46/46/08/618464608.db2.gz PDGOWDVCPGFCHZ-UHFFFAOYSA-N 1 0 323.433 3.235 20 10 DGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894874892 618485010 /nfs/dbraw/zinc/48/50/10/618485010.db2.gz YPRJGNZVDQOGEB-LBPRGKRZSA-N 1 0 321.339 3.156 20 10 DGCDRO COc1ccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c(O)c1OC ZINC000894961527 618502738 /nfs/dbraw/zinc/50/27/38/618502738.db2.gz OEDHXCPEGCJBMQ-CQSZACIVSA-N 1 0 323.458 3.127 20 10 DGCDRO c1csc(SCCC[NH2+][C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000925102151 618505672 /nfs/dbraw/zinc/50/56/72/618505672.db2.gz LMRJYJARLVUHTB-KGLIPLIRSA-N 1 0 311.520 3.232 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000894993313 618507263 /nfs/dbraw/zinc/50/72/63/618507263.db2.gz JCBQXVKQFMAFCO-IAGOWNOFSA-N 1 0 313.397 3.017 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1O ZINC000895133508 618547109 /nfs/dbraw/zinc/54/71/09/618547109.db2.gz KRPXGMZBAPTOJL-YVEFUNNKSA-N 1 0 319.376 3.060 20 10 DGCDRO CCc1[nH]c(C[NH2+]Cc2cc(Cl)ccc2O)cc1C(=O)OC ZINC000895137808 618549748 /nfs/dbraw/zinc/54/97/48/618549748.db2.gz XRERKVJOPQCFLY-UHFFFAOYSA-N 1 0 322.792 3.013 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c(O)c1OC ZINC000895148698 618553997 /nfs/dbraw/zinc/55/39/97/618553997.db2.gz WZYUCTRIILBWDG-CABCVRRESA-N 1 0 317.788 3.204 20 10 DGCDRO COc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)c(O)c1OC ZINC000893427705 618555166 /nfs/dbraw/zinc/55/51/66/618555166.db2.gz MPJUZYDJOLIMLB-UHFFFAOYSA-N 1 0 317.360 3.107 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c1O ZINC000895182300 618569099 /nfs/dbraw/zinc/56/90/99/618569099.db2.gz CBKMWBMHDLJMDG-RDJZCZTQSA-N 1 0 305.418 3.147 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(C)c2OC)c1O ZINC000895186406 618569748 /nfs/dbraw/zinc/56/97/48/618569748.db2.gz HNLLOIRWDVCALL-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CCc2noc3ccccc23)c1O ZINC000895227633 618578742 /nfs/dbraw/zinc/57/87/42/618578742.db2.gz YOWUTPFARCAUQQ-UHFFFAOYSA-N 1 0 312.369 3.183 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2c(C3CCC3)cnn2C)c1O ZINC000895278816 618586973 /nfs/dbraw/zinc/58/69/73/618586973.db2.gz DBJDFAGVIILJIT-UHFFFAOYSA-N 1 0 315.417 3.000 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1nn(C)c2ccccc12 ZINC000840936692 618610558 /nfs/dbraw/zinc/61/05/58/618610558.db2.gz CIJKAIDGHHPTOH-UHFFFAOYSA-N 1 0 322.456 3.280 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1OC ZINC000893622745 618619170 /nfs/dbraw/zinc/61/91/70/618619170.db2.gz HGJGURMTMRYLHM-GJZGRUSLSA-N 1 0 323.433 3.091 20 10 DGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CC2(C)C)c1O ZINC000840956139 618628396 /nfs/dbraw/zinc/62/83/96/618628396.db2.gz DVCVORBCWSDNJC-NSHDSACASA-N 1 0 300.196 3.051 20 10 DGCDRO C[C@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1ccc(N(C)C)cc1 ZINC000925855850 618647266 /nfs/dbraw/zinc/64/72/66/618647266.db2.gz IFDXQPUQLIDSTE-SWLSCSKDSA-N 1 0 315.383 3.088 20 10 DGCDRO COCC[N@H+](Cc1cccs1)Cc1cc(C)cc(OC)c1O ZINC000893910661 618674820 /nfs/dbraw/zinc/67/48/20/618674820.db2.gz HRVKAJJBNGPUOX-UHFFFAOYSA-N 1 0 321.442 3.419 20 10 DGCDRO Cc1ccnc(N)c1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000893928721 618677751 /nfs/dbraw/zinc/67/77/51/618677751.db2.gz FNJLJJHJMAMGQN-UHFFFAOYSA-N 1 0 310.445 3.203 20 10 DGCDRO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2C)c(O)c1OC ZINC000894007958 618691350 /nfs/dbraw/zinc/69/13/50/618691350.db2.gz KIOMJXJNQAKWQD-UHFFFAOYSA-N 1 0 319.376 3.489 20 10 DGCDRO CN1CCCc2cc(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)ccc21 ZINC000924869811 618712434 /nfs/dbraw/zinc/71/24/34/618712434.db2.gz JDOGHXVXDVYPJS-AZUAARDMSA-N 1 0 314.473 3.364 20 10 DGCDRO COc1cc(C)cc(CNc2ccc(CC[NH+](C)C)cc2)c1O ZINC000894123178 618715332 /nfs/dbraw/zinc/71/53/32/618715332.db2.gz WVGYOIGDUOKMNR-UHFFFAOYSA-N 1 0 314.429 3.425 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1O ZINC000894165125 618722707 /nfs/dbraw/zinc/72/27/07/618722707.db2.gz IISQJVCVIHTTTO-GFCCVEGCSA-N 1 0 315.369 3.289 20 10 DGCDRO COc1cccc(CC[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894183774 618725533 /nfs/dbraw/zinc/72/55/33/618725533.db2.gz KTYSFLJGXQRRQR-UHFFFAOYSA-N 1 0 301.386 3.050 20 10 DGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1O ZINC000894208904 618730390 /nfs/dbraw/zinc/73/03/90/618730390.db2.gz MWORAINUQHHYGB-UHFFFAOYSA-N 1 0 318.392 3.204 20 10 DGCDRO CCN(C)c1ccccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894233439 618735003 /nfs/dbraw/zinc/73/50/03/618735003.db2.gz HWQHVMOQNOGSPV-UHFFFAOYSA-N 1 0 314.429 3.455 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c1O ZINC000894316749 618762770 /nfs/dbraw/zinc/76/27/70/618762770.db2.gz OLLSJKZNMDWACW-KSSFIOAISA-N 1 0 307.434 3.250 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000894325238 618764553 /nfs/dbraw/zinc/76/45/53/618764553.db2.gz QCWYQWJEXXTIBQ-KRWDZBQOSA-N 1 0 317.433 3.320 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1O ZINC000894333514 618766044 /nfs/dbraw/zinc/76/60/44/618766044.db2.gz XWQQFSLHLYQNET-HNNXBMFYSA-N 1 0 305.418 3.291 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1O ZINC000894337429 618766845 /nfs/dbraw/zinc/76/68/45/618766845.db2.gz SGHYEEMSEXVIAL-SCTDSRPQSA-N 1 0 309.409 3.385 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](O)c2cccs2)c1O ZINC000894370364 618773440 /nfs/dbraw/zinc/77/34/40/618773440.db2.gz JXOZDPJZQVWZQW-TZMCWYRMSA-N 1 0 321.442 3.373 20 10 DGCDRO OC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)Cc1ccoc1 ZINC000895585629 618802539 /nfs/dbraw/zinc/80/25/39/618802539.db2.gz LAHHPPAYRTUHDX-HNNXBMFYSA-N 1 0 311.381 3.079 20 10 DGCDRO C[C@]1(C[NH2+]Cc2cc(F)ccc2O)OCCc2ccccc21 ZINC000895639819 618811247 /nfs/dbraw/zinc/81/12/47/618811247.db2.gz PBTODFUYKGVVBN-GOSISDBHSA-N 1 0 301.361 3.109 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1O ZINC000895843816 618838454 /nfs/dbraw/zinc/83/84/54/618838454.db2.gz CRULTQHQPLETIY-SMDDNHRTSA-N 1 0 311.809 3.055 20 10 DGCDRO COC(=O)c1c[nH]c(C[NH2+][C@H](C)c2ccccc2O)c1C1CC1 ZINC000895850628 618842131 /nfs/dbraw/zinc/84/21/31/618842131.db2.gz CZNISVMCVDLTQB-LLVKDONJSA-N 1 0 314.385 3.235 20 10 DGCDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000121177218 618872995 /nfs/dbraw/zinc/87/29/95/618872995.db2.gz OKLOZANVEHOYEB-UHFFFAOYSA-N 1 0 312.841 3.076 20 10 DGCDRO Cn1ccc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000896492781 618919130 /nfs/dbraw/zinc/91/91/30/618919130.db2.gz VOGSFVHEZKJCAA-LBPRGKRZSA-N 1 0 305.809 3.159 20 10 DGCDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000896737358 618951471 /nfs/dbraw/zinc/95/14/71/618951471.db2.gz RRYAZBNSYZBJSG-RDTXWAMCSA-N 1 0 313.397 3.096 20 10 DGCDRO Cc1ccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c(O)c1 ZINC000896808046 618961890 /nfs/dbraw/zinc/96/18/90/618961890.db2.gz BHKPEGADKVPNDO-OCCSQVGLSA-N 1 0 303.324 3.290 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c1O ZINC000896917631 618985448 /nfs/dbraw/zinc/98/54/48/618985448.db2.gz FAWJCVBTBMAIEG-OAHLLOKOSA-N 1 0 305.418 3.291 20 10 DGCDRO C[C@H]([NH2+]CCOC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000788978890 625311152 /nfs/dbraw/zinc/31/11/52/625311152.db2.gz AWRBGGBLUYXENU-JTQLQIEISA-N 1 0 303.324 3.458 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cc(C3CC3)nn2C)cc1Cl ZINC000897224532 619032171 /nfs/dbraw/zinc/03/21/71/619032171.db2.gz RKUOMHIJZBXHCD-UHFFFAOYSA-N 1 0 305.809 3.255 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c(O)c1 ZINC000897268149 619039375 /nfs/dbraw/zinc/03/93/75/619039375.db2.gz UUDUQVLDBUBWGO-INIZCTEOSA-N 1 0 319.445 3.430 20 10 DGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC=CCC1 ZINC000121296265 619039453 /nfs/dbraw/zinc/03/94/53/619039453.db2.gz RYAIEXLTJCLOQH-QGZVFWFLSA-N 1 0 300.446 3.311 20 10 DGCDRO Cc1csc(C[C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000897299163 619048694 /nfs/dbraw/zinc/04/86/94/619048694.db2.gz WCALSOAOHDQTDQ-LBPRGKRZSA-N 1 0 306.406 3.361 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@]2(C)CCOc3ccccc32)c1O ZINC000897386563 619101289 /nfs/dbraw/zinc/10/12/89/619101289.db2.gz YQAHLSKVMGIWBS-LJQANCHMSA-N 1 0 313.397 3.497 20 10 DGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1O ZINC000897417877 619108519 /nfs/dbraw/zinc/10/85/19/619108519.db2.gz CTWCRUQRGFXUAR-CYBMUJFWSA-N 1 0 313.397 3.495 20 10 DGCDRO CCOc1ccc(C[NH2+]Cc2cnn(CC3CCC3)c2)c(O)c1 ZINC000897432429 619119036 /nfs/dbraw/zinc/11/90/36/619119036.db2.gz JMTLZTRBOIPGSN-UHFFFAOYSA-N 1 0 315.417 3.077 20 10 DGCDRO COc1cc(C)cc(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)c1O ZINC000897474317 619132798 /nfs/dbraw/zinc/13/27/98/619132798.db2.gz QCLYMDQIHLCMER-HNNXBMFYSA-N 1 0 307.434 3.394 20 10 DGCDRO CC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC2(CC1)OCCO2 ZINC000897720112 619175119 /nfs/dbraw/zinc/17/51/19/619175119.db2.gz JTFHQSXJNADOAM-UHFFFAOYSA-N 1 0 317.429 3.035 20 10 DGCDRO C[C@H]1CC2(CC([NH2+]C/C=C\c3ccc(N(C)C)cc3)C2)CO1 ZINC000897775168 619179236 /nfs/dbraw/zinc/17/92/36/619179236.db2.gz BKERTLPDSJLMLG-IYHXIOQFSA-N 1 0 300.446 3.313 20 10 DGCDRO Cc1ccc(O)c(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000897862513 619188995 /nfs/dbraw/zinc/18/89/95/619188995.db2.gz JMWCSMSILAJFBY-UHFFFAOYSA-N 1 0 311.381 3.251 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)c1cncs1 ZINC000897930141 619195884 /nfs/dbraw/zinc/19/58/84/619195884.db2.gz JKQBTAZZLIIQIC-QMMMGPOBSA-N 1 0 313.220 3.462 20 10 DGCDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1cccc(CC)c1O)CCO2 ZINC000897974515 619196871 /nfs/dbraw/zinc/19/68/71/619196871.db2.gz KQHSNANGOAHIRZ-MSOLQXFVSA-N 1 0 305.418 3.120 20 10 DGCDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1cc(C)c(C)cc1O)CCO2 ZINC000897974792 619197021 /nfs/dbraw/zinc/19/70/21/619197021.db2.gz QPCROGDESXMVEE-MSOLQXFVSA-N 1 0 305.418 3.174 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cc1Cn1cccn1 ZINC000897960017 619199084 /nfs/dbraw/zinc/19/90/84/619199084.db2.gz NRQDZEOFZIJMJZ-BPQIPLTHSA-N 1 0 311.429 3.218 20 10 DGCDRO C[C@H](Cc1cccnc1)[NH2+]Cc1c(O)cccc1Br ZINC000897966780 619200146 /nfs/dbraw/zinc/20/01/46/619200146.db2.gz GTFAKADHFOVGRW-LLVKDONJSA-N 1 0 321.218 3.271 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@]23C[C@H]2COC32CCC2)c(Cl)c1 ZINC000898061318 619209837 /nfs/dbraw/zinc/20/98/37/619209837.db2.gz CJMGKHUUEUXHJZ-BLLLJJGKSA-N 1 0 307.821 3.403 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1OC ZINC000898322821 619233662 /nfs/dbraw/zinc/23/36/62/619233662.db2.gz RYKNFGQELRGUCP-GOSISDBHSA-N 1 0 314.385 3.045 20 10 DGCDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841041753 619243262 /nfs/dbraw/zinc/24/32/62/619243262.db2.gz BHCCLTBHSFSHTQ-UZLBHIALSA-N 1 0 311.473 3.282 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)c1 ZINC000927072685 619262118 /nfs/dbraw/zinc/26/21/18/619262118.db2.gz YRHUTQRBJMLWNV-SJCJKPOMSA-N 1 0 303.406 3.182 20 10 DGCDRO CCOCCOCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000927085465 619263936 /nfs/dbraw/zinc/26/39/36/619263936.db2.gz IJYUCVYOPMBIKW-GFCCVEGCSA-N 1 0 301.814 3.058 20 10 DGCDRO COC(=O)C1(CCCC[NH2+]Cc2cccc(C)c2O)CCC1 ZINC000898411238 619271598 /nfs/dbraw/zinc/27/15/98/619271598.db2.gz BBPZDKDRWMMSAJ-UHFFFAOYSA-N 1 0 305.418 3.304 20 10 DGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cccnc1 ZINC000901707347 619536668 /nfs/dbraw/zinc/53/66/68/619536668.db2.gz UXVHXHSYHNDSGZ-HNAYVOBHSA-N 1 0 312.461 3.101 20 10 DGCDRO CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(C(F)(F)F)cc1O ZINC000902466828 619641869 /nfs/dbraw/zinc/64/18/69/619641869.db2.gz NJAWUNYXBFZARU-VZZFWQQMSA-N 1 0 314.351 3.345 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C2OCCO2)cc1C(C)C ZINC000902623169 619659189 /nfs/dbraw/zinc/65/91/89/619659189.db2.gz VEOBVPXRHDTXOA-MRXNPFEDSA-N 1 0 305.418 3.161 20 10 DGCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1nncn1C ZINC000903064067 619709162 /nfs/dbraw/zinc/70/91/62/619709162.db2.gz KIXROOCIXSEZSF-IINYFYTJSA-N 1 0 308.813 3.222 20 10 DGCDRO CC[C@@H]([NH2+][C@H](c1nncn1C)C(C)C)c1ccc(C)cc1O ZINC000903063418 619709316 /nfs/dbraw/zinc/70/93/16/619709316.db2.gz FCGWCXGCYAMJEH-ZBFHGGJFSA-N 1 0 302.422 3.267 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2nncn2C)C(C)C)c(O)c1C ZINC000903066260 619709659 /nfs/dbraw/zinc/70/96/59/619709659.db2.gz UKXRECYOGSGZJX-UKRRQHHQSA-N 1 0 302.422 3.185 20 10 DGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000903128585 619722847 /nfs/dbraw/zinc/72/28/47/619722847.db2.gz CUCKCOQJGIPFMI-HNCHTBHHSA-N 1 0 307.365 3.011 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c(O)c1 ZINC000903177889 619730607 /nfs/dbraw/zinc/73/06/07/619730607.db2.gz CBFZSBLVVRDHBP-MJVIPROJSA-N 1 0 303.324 3.461 20 10 DGCDRO CCN(C(=O)C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000903195494 619734157 /nfs/dbraw/zinc/73/41/57/619734157.db2.gz UKFFQVXYMOZEQR-MRXNPFEDSA-N 1 0 310.397 3.022 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(Cl)cc1O ZINC000903196606 619734565 /nfs/dbraw/zinc/73/45/65/619734565.db2.gz BMQUFZRQFGCAKM-NSHDSACASA-N 1 0 305.809 3.357 20 10 DGCDRO CCN(C(=O)C[NH2+][C@@H](C)c1ccc(C)cc1O)c1ccccc1 ZINC000903197666 619734601 /nfs/dbraw/zinc/73/46/01/619734601.db2.gz SIRJIJMVEQYNOX-HNNXBMFYSA-N 1 0 312.413 3.404 20 10 DGCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903256121 619745852 /nfs/dbraw/zinc/74/58/52/619745852.db2.gz HKDSUBPMNTXTAK-DOMZBBRYSA-N 1 0 317.351 3.453 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)c2c1c(F)ccc2O ZINC000903323244 619755784 /nfs/dbraw/zinc/75/57/84/619755784.db2.gz DICBIDUZHWYMGZ-YMTOWFKASA-N 1 0 313.332 3.406 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(F)c2)c1 ZINC000903308032 619756693 /nfs/dbraw/zinc/75/66/93/619756693.db2.gz GITNIGJPWXEZJR-FZKQIMNGSA-N 1 0 303.377 3.398 20 10 DGCDRO CC[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccc(C)cc1O ZINC000903346911 619761260 /nfs/dbraw/zinc/76/12/60/619761260.db2.gz JMQDFICZIHNJQV-MRXNPFEDSA-N 1 0 319.445 3.063 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(OC(C)C)CCOC2)c(O)c1C ZINC000903356355 619764336 /nfs/dbraw/zinc/76/43/36/619764336.db2.gz CAHGGJOTURQJPG-MAUKXSAKSA-N 1 0 307.434 3.244 20 10 DGCDRO CC(C)O[C@]1(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)CCOC1 ZINC000903358747 619764870 /nfs/dbraw/zinc/76/48/70/619764870.db2.gz YWLUHNFIYBCSIJ-LRDDRELGSA-N 1 0 313.825 3.280 20 10 DGCDRO C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1ccc(F)cc1O ZINC000903380778 619768577 /nfs/dbraw/zinc/76/85/77/619768577.db2.gz PHVRYSKDKFLXLE-SUMWQHHRSA-N 1 0 317.408 3.270 20 10 DGCDRO C[C@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)c1ccccc1O ZINC000913764025 620477950 /nfs/dbraw/zinc/47/79/50/620477950.db2.gz YIAIXOUCIAUWDG-ZDUSSCGKSA-N 1 0 323.396 3.487 20 10 DGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2COc3ccccc3O2)cc1C ZINC000915824968 620600019 /nfs/dbraw/zinc/60/00/19/620600019.db2.gz MNMPLHGFIMFAQD-MRXNPFEDSA-N 1 0 313.397 3.281 20 10 DGCDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000921066356 620834471 /nfs/dbraw/zinc/83/44/71/620834471.db2.gz KBJBMUNMCDILSK-MNZLEMJZSA-N 1 0 302.462 3.438 20 10 DGCDRO CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817979326 620898046 /nfs/dbraw/zinc/89/80/46/620898046.db2.gz JMRUBEBPHQOYOJ-VXNVDRBHSA-N 1 0 321.646 3.196 20 10 DGCDRO c1cnn(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cc2)c1 ZINC000921536848 620904616 /nfs/dbraw/zinc/90/46/16/620904616.db2.gz SFQXRWUTQGYEEP-UHFFFAOYSA-N 1 0 319.408 3.487 20 10 DGCDRO COc1cc(CC[NH2+]Cc2ccc3c(c2)CCCO3)ccc1O ZINC000921742552 620942816 /nfs/dbraw/zinc/94/28/16/620942816.db2.gz GZABKGCNPLMMQW-UHFFFAOYSA-N 1 0 313.397 3.058 20 10 DGCDRO c1csc(SCCC[NH2+]Cc2ccnn2C2CCC2)n1 ZINC000921753610 620945333 /nfs/dbraw/zinc/94/53/33/620945333.db2.gz DZHMOGIVXPTAMQ-UHFFFAOYSA-N 1 0 308.476 3.337 20 10 DGCDRO c1cc2c(cc1C[NH2+][C@H]1CCO[C@]3(CCSC3)C1)CCCO2 ZINC000921862090 620963660 /nfs/dbraw/zinc/96/36/60/620963660.db2.gz MLKFQJUHSDDFBM-FUHWJXTLSA-N 1 0 319.470 3.156 20 10 DGCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(Cl)cc1 ZINC000921960337 620973539 /nfs/dbraw/zinc/97/35/39/620973539.db2.gz NKXXOHLAAPDYJE-QGZVFWFLSA-N 1 0 317.816 3.488 20 10 DGCDRO c1cc([C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)ccn1 ZINC000922164647 620998905 /nfs/dbraw/zinc/99/89/05/620998905.db2.gz WWMYTSWHEWBRSQ-ICSRJNTNSA-N 1 0 324.424 3.417 20 10 DGCDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1F ZINC000922215339 621006251 /nfs/dbraw/zinc/00/62/51/621006251.db2.gz GJAIIEWICXEGKX-ORAYPTAESA-N 1 0 315.388 3.362 20 10 DGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1CCC13CCOCC3)CCCO2 ZINC000922317317 621023334 /nfs/dbraw/zinc/02/33/34/621023334.db2.gz YQPLZLFMWBCFDC-KRWDZBQOSA-N 1 0 301.430 3.308 20 10 DGCDRO CCOc1cccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c1O ZINC000856806135 621024132 /nfs/dbraw/zinc/02/41/32/621024132.db2.gz ATYSDHMHJZMOJF-NSHDSACASA-N 1 0 304.217 3.464 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)ncn3C)cc1F ZINC000922481560 621042065 /nfs/dbraw/zinc/04/20/65/621042065.db2.gz NDZZIULNIRGDMF-UHFFFAOYSA-N 1 0 312.392 3.068 20 10 DGCDRO Cc1cc(O)c(CNCc2cc(N(C)C)cc[nH+]2)c(Cl)c1 ZINC000922479288 621043665 /nfs/dbraw/zinc/04/36/65/621043665.db2.gz MEBSHGGNZUTGQC-UHFFFAOYSA-N 1 0 305.809 3.105 20 10 DGCDRO COc1cc(O)c(C[NH+]2CC(Cc3ccsc3)C2)cc1OC ZINC000857068564 621054183 /nfs/dbraw/zinc/05/41/83/621054183.db2.gz ZUBIFNZWRITDKX-UHFFFAOYSA-N 1 0 319.426 3.145 20 10 DGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000922679793 621080112 /nfs/dbraw/zinc/08/01/12/621080112.db2.gz REINGMIWKDRCFA-LSDHHAIUSA-N 1 0 316.367 3.342 20 10 DGCDRO FC(F)(F)[C@H]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000922698253 621084284 /nfs/dbraw/zinc/08/42/84/621084284.db2.gz WPXCSGGFJVZAIY-DZGCQCFKSA-N 1 0 315.335 3.211 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCCN1CC(F)(F)F ZINC000922707141 621086788 /nfs/dbraw/zinc/08/67/88/621086788.db2.gz AMFGWKRSJCOEEW-SNVBAGLBSA-N 1 0 322.758 3.162 20 10 DGCDRO CN(C)[C@@H](CC[NH2+]Cc1cc(Cl)ccc1O)C(F)(F)F ZINC000922751927 621093532 /nfs/dbraw/zinc/09/35/32/621093532.db2.gz KJWRFJUGFZRKJP-LBPRGKRZSA-N 1 0 310.747 3.018 20 10 DGCDRO CC[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccccc1O ZINC000857875335 621126679 /nfs/dbraw/zinc/12/66/79/621126679.db2.gz KSFKAMCOGFREFB-WMZOPIPTSA-N 1 0 310.397 3.146 20 10 DGCDRO CCOc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c1O ZINC000922897946 621128466 /nfs/dbraw/zinc/12/84/66/621128466.db2.gz PAZQYORSXSBMJY-WBVHZDCISA-N 1 0 305.418 3.086 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1O ZINC000922897944 621128507 /nfs/dbraw/zinc/12/85/07/621128507.db2.gz PAZQYORSXSBMJY-NVXWUHKLSA-N 1 0 305.418 3.086 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2cc(C3CC3)nn2C)c(Cl)c1 ZINC000922947800 621135592 /nfs/dbraw/zinc/13/55/92/621135592.db2.gz QFDITHRXDDXIDG-UHFFFAOYSA-N 1 0 305.809 3.255 20 10 DGCDRO COC[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000922948470 621135979 /nfs/dbraw/zinc/13/59/79/621135979.db2.gz YTSDAHQENGQFDY-INIZCTEOSA-N 1 0 320.477 3.172 20 10 DGCDRO CCOc1cccc(C[NH2+]CCc2c(F)cc(O)cc2F)c1O ZINC000922976191 621141107 /nfs/dbraw/zinc/14/11/07/621141107.db2.gz FOEUCWKIOKKIGV-UHFFFAOYSA-N 1 0 323.339 3.107 20 10 DGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013758 621145255 /nfs/dbraw/zinc/14/52/55/621145255.db2.gz FJSZZFWYDUDSDW-QGZVFWFLSA-N 1 0 310.397 3.318 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)cc1C ZINC000923010402 621146130 /nfs/dbraw/zinc/14/61/30/621146130.db2.gz QAKJCNYPFWXIFZ-PUZFROQSSA-N 1 0 311.425 3.186 20 10 DGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1F ZINC000858086601 621150936 /nfs/dbraw/zinc/15/09/36/621150936.db2.gz CHUFQWIEFDRZQI-INIZCTEOSA-N 1 0 323.387 3.016 20 10 DGCDRO c1cc2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2[nH]1 ZINC000858106711 621153587 /nfs/dbraw/zinc/15/35/87/621153587.db2.gz PEQXKBRXLTZNCL-UHFFFAOYSA-N 1 0 321.424 3.294 20 10 DGCDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1c(O)cccc1Br ZINC000858149943 621158833 /nfs/dbraw/zinc/15/88/33/621158833.db2.gz ANBKRIAACNMWIS-WDEREUQCSA-N 1 0 314.223 3.059 20 10 DGCDRO COc1cnccc1[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858159156 621160312 /nfs/dbraw/zinc/16/03/12/621160312.db2.gz XJDXNFRAPDVEAS-LLVKDONJSA-N 1 0 321.371 3.285 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858194733 621163917 /nfs/dbraw/zinc/16/39/17/621163917.db2.gz IJALVFJIEHZRPS-GKCIPKSASA-N 1 0 314.473 3.172 20 10 DGCDRO COc1cc(F)c(C[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000858239388 621167212 /nfs/dbraw/zinc/16/72/12/621167212.db2.gz NAGHGDVZKIONRM-UHFFFAOYSA-N 1 0 305.349 3.147 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc1OC ZINC000858245689 621167619 /nfs/dbraw/zinc/16/76/19/621167619.db2.gz WADLSFKJHSNTQD-KRWDZBQOSA-N 1 0 320.477 3.053 20 10 DGCDRO C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000858245102 621167861 /nfs/dbraw/zinc/16/78/61/621167861.db2.gz NDDVRXQVJQQRBP-IBGZPJMESA-N 1 0 315.505 3.498 20 10 DGCDRO Cc1cc(C[NH2+]Cc2ccc(CO)o2)c(C)n1-c1ccccc1 ZINC000858292870 621172458 /nfs/dbraw/zinc/17/24/58/621172458.db2.gz GZDGITJWLUKLCB-UHFFFAOYSA-N 1 0 310.397 3.469 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CCCCO1 ZINC000858355375 621180522 /nfs/dbraw/zinc/18/05/22/621180522.db2.gz SSSOCFYMLTWUQQ-MAUKXSAKSA-N 1 0 320.502 3.287 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccccc1O ZINC000858448590 621192650 /nfs/dbraw/zinc/19/26/50/621192650.db2.gz DHKOVOAPOFVJKR-GXTWGEPZSA-N 1 0 313.323 3.433 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c1O ZINC000858454569 621193409 /nfs/dbraw/zinc/19/34/09/621193409.db2.gz HGFVPLCLSKLIKC-BBRMVZONSA-N 1 0 313.397 3.193 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H]2COc3cccc(C)c3C2)c1O ZINC000858459943 621193965 /nfs/dbraw/zinc/19/39/65/621193965.db2.gz OTRKZGGXOAOYJJ-UONOGXRCSA-N 1 0 313.397 3.364 20 10 DGCDRO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000858471980 621195300 /nfs/dbraw/zinc/19/53/00/621195300.db2.gz FYKJPYYBIQMOOW-DOMZBBRYSA-N 1 0 311.381 3.458 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000858474230 621195737 /nfs/dbraw/zinc/19/57/37/621195737.db2.gz XCPDBSDDFOPJCN-DOTOQJQBSA-N 1 0 302.418 3.055 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cc(Cl)ccc1O ZINC000858479398 621196572 /nfs/dbraw/zinc/19/65/72/621196572.db2.gz QYYRKFVJLJCOMW-ZYHUDNBSSA-N 1 0 318.795 3.426 20 10 DGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000858505485 621199392 /nfs/dbraw/zinc/19/93/92/621199392.db2.gz LCORRNSTACVUME-OSMZGAPFSA-N 1 0 319.376 3.321 20 10 DGCDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000858585355 621207403 /nfs/dbraw/zinc/20/74/03/621207403.db2.gz FVMHXUXOLNNRJW-YDHLFZDLSA-N 1 0 324.852 3.005 20 10 DGCDRO COC(=O)CCCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000859189622 621258951 /nfs/dbraw/zinc/25/89/51/621258951.db2.gz AGJBYRRATSYKQN-UHFFFAOYSA-N 1 0 317.385 3.331 20 10 DGCDRO CN1CCCc2cc(C[NH2+]Cc3cnc(C4CC4)nc3)ccc21 ZINC000838916847 621297947 /nfs/dbraw/zinc/29/79/47/621297947.db2.gz BBBSOVPAYYUTGP-UHFFFAOYSA-N 1 0 308.429 3.026 20 10 DGCDRO Fc1cc(C[NH2+]C2CC3(CCC3)C2)cc(F)c1N1CCOCC1 ZINC000839145142 621332231 /nfs/dbraw/zinc/33/22/31/621332231.db2.gz MBKWOUIDBISFHD-UHFFFAOYSA-N 1 0 322.399 3.224 20 10 DGCDRO Fc1cc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc(F)c1N1CCOCC1 ZINC000839145190 621332235 /nfs/dbraw/zinc/33/22/35/621332235.db2.gz NJYXGUGIVUTJOS-RHSMWYFYSA-N 1 0 322.399 3.080 20 10 DGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144641 621332475 /nfs/dbraw/zinc/33/24/75/621332475.db2.gz IUVFUSQDTIHVNE-YOEHRIQHSA-N 1 0 324.415 3.326 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)ccc1OC ZINC000839147300 621333148 /nfs/dbraw/zinc/33/31/48/621333148.db2.gz HLDHSSQUOSEILX-CALCHBBNSA-N 1 0 307.434 3.277 20 10 DGCDRO CCOCc1cc(C[NH2+]C2CCC(OC)CC2)ccc1OC ZINC000839173805 621342566 /nfs/dbraw/zinc/34/25/66/621342566.db2.gz WSNHJPTYOMEYNS-UHFFFAOYSA-N 1 0 307.434 3.279 20 10 DGCDRO C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000839183274 621344761 /nfs/dbraw/zinc/34/47/61/621344761.db2.gz VSHJUWCNJOMSPY-LLVKDONJSA-N 1 0 300.805 3.006 20 10 DGCDRO Cc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000839186199 621345263 /nfs/dbraw/zinc/34/52/63/621345263.db2.gz KPGLSNQKWJGDDR-UHFFFAOYSA-N 1 0 304.459 3.326 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000839190795 621347014 /nfs/dbraw/zinc/34/70/14/621347014.db2.gz BZJXYVXYHDFAPH-RBUKOAKNSA-N 1 0 302.462 3.126 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753545586 621447576 /nfs/dbraw/zinc/44/75/76/621447576.db2.gz FXFQGZVVHGMING-SFHVURJKSA-N 1 0 313.397 3.192 20 10 DGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC(C)(C)C1 ZINC000753576840 621450411 /nfs/dbraw/zinc/45/04/11/621450411.db2.gz UZDHHDYIFWZXAY-MRXNPFEDSA-N 1 0 302.462 3.391 20 10 DGCDRO CCNC(=O)C1(C[NH2+][C@H](CC)c2cc(Cl)ccc2O)CCC1 ZINC000754106665 621488015 /nfs/dbraw/zinc/48/80/15/621488015.db2.gz SFUPDCYXSFGROW-CQSZACIVSA-N 1 0 324.852 3.393 20 10 DGCDRO COc1cc(C)cc(CN2CCC[C@H]2C[NH+]2CCCCC2)c1O ZINC000754731432 621528924 /nfs/dbraw/zinc/52/89/24/621528924.db2.gz BTVRALNRFQSFFI-KRWDZBQOSA-N 1 0 318.461 3.160 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1O ZINC000754736212 621529383 /nfs/dbraw/zinc/52/93/83/621529383.db2.gz INZUWIGAHCMAFV-GOSISDBHSA-N 1 0 305.418 3.102 20 10 DGCDRO COc1cc(C)cc(C[NH+]2CCC(OCC3CC3)CC2)c1O ZINC000754738309 621529491 /nfs/dbraw/zinc/52/94/91/621529491.db2.gz XBCHQXIJNLZQCU-UHFFFAOYSA-N 1 0 305.418 3.100 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1F ZINC000862252417 621568225 /nfs/dbraw/zinc/56/82/25/621568225.db2.gz TWJVLSKDOZJSIH-MLGOLLRUSA-N 1 0 310.388 3.032 20 10 DGCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862365074 621579070 /nfs/dbraw/zinc/57/90/70/621579070.db2.gz LZHQJFNNZNGKFH-DZGCQCFKSA-N 1 0 323.431 3.089 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1F ZINC000862398369 621584593 /nfs/dbraw/zinc/58/45/93/621584593.db2.gz GQRWNAQOXNMCMS-GUYCJALGSA-N 1 0 324.415 3.422 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1F ZINC000862398370 621584638 /nfs/dbraw/zinc/58/46/38/621584638.db2.gz GQRWNAQOXNMCMS-SUMWQHHRSA-N 1 0 324.415 3.422 20 10 DGCDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc(Cl)cc(C)c2O)n1 ZINC000862433341 621589179 /nfs/dbraw/zinc/58/91/79/621589179.db2.gz VWUVTACDMMKASD-UHFFFAOYSA-N 1 0 321.808 3.183 20 10 DGCDRO C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000862483862 621594320 /nfs/dbraw/zinc/59/43/20/621594320.db2.gz ZQRIMQVMVWJUNF-NSHDSACASA-N 1 0 300.805 3.006 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000862522837 621596449 /nfs/dbraw/zinc/59/64/49/621596449.db2.gz IVQRLKZJBZAJFZ-LJQANCHMSA-N 1 0 301.478 3.168 20 10 DGCDRO OC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000862529722 621597271 /nfs/dbraw/zinc/59/72/71/621597271.db2.gz YDSIGHLZIDHBFY-AZUAARDMSA-N 1 0 314.473 3.271 20 10 DGCDRO CCC(O)(CC)C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862538682 621598296 /nfs/dbraw/zinc/59/82/96/621598296.db2.gz CNCWCDIRAGBPGQ-UHFFFAOYSA-N 1 0 300.393 3.014 20 10 DGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000862540159 621598560 /nfs/dbraw/zinc/59/85/60/621598560.db2.gz AJGLTOOMMQVNDM-OAHLLOKOSA-N 1 0 313.397 3.486 20 10 DGCDRO CCC[NH+](CCC)CCCC(=O)NCc1cc(C)ccc1O ZINC000862758659 621614400 /nfs/dbraw/zinc/61/44/00/621614400.db2.gz FYLMIFLLPBDSGB-UHFFFAOYSA-N 1 0 306.450 3.219 20 10 DGCDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756356366 621630616 /nfs/dbraw/zinc/63/06/16/621630616.db2.gz AKJRDKCWBPVHNR-RHSMWYFYSA-N 1 0 302.462 3.406 20 10 DGCDRO CCC[C@H](O)C[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000119239924 621632944 /nfs/dbraw/zinc/63/29/44/621632944.db2.gz YVZMIYVSGYAZCR-WCQYABFASA-N 1 0 316.239 3.356 20 10 DGCDRO COc1ncccc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756394779 621635057 /nfs/dbraw/zinc/63/50/57/621635057.db2.gz YEUODJXHRMOPIF-GWCFXTLKSA-N 1 0 302.349 3.273 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N(C)C)c2c1c(F)ccc2O ZINC000756411429 621636502 /nfs/dbraw/zinc/63/65/02/621636502.db2.gz PWYABHGDRARBPF-SMDDNHRTSA-N 1 0 315.392 3.330 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@@H](C)C2)c2c1c(F)ccc2O ZINC000756414866 621636929 /nfs/dbraw/zinc/63/69/29/621636929.db2.gz JFBOKUICXUDPBP-UMVBOHGHSA-N 1 0 306.425 3.401 20 10 DGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C[NH+]1CCCCC1 ZINC000756435031 621638259 /nfs/dbraw/zinc/63/82/59/621638259.db2.gz SXCLZDLLVZQCQL-OLZOCXBDSA-N 1 0 312.404 3.443 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1cc(F)ccc1O ZINC000756457848 621639416 /nfs/dbraw/zinc/63/94/16/621639416.db2.gz RRSMEYXDMPCEFP-QWHCGFSZSA-N 1 0 301.361 3.433 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN(C)C2CCCCC2)c1 ZINC000756459251 621639617 /nfs/dbraw/zinc/63/96/17/621639617.db2.gz ZAKMUPYQNZFXSL-CQSZACIVSA-N 1 0 306.450 3.316 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2O ZINC000756461087 621640177 /nfs/dbraw/zinc/64/01/77/621640177.db2.gz VBKBWIPSKXSEFO-WJQJUCBESA-N 1 0 313.372 3.328 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c(O)c1C ZINC000756503382 621643140 /nfs/dbraw/zinc/64/31/40/621643140.db2.gz NIAHEUICACEJGB-CHWSQXEVSA-N 1 0 316.367 3.296 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCCC2=O)c2c1c(F)ccc2O ZINC000756553599 621647791 /nfs/dbraw/zinc/64/77/91/621647791.db2.gz GYFSNNDIUQZLOE-TZMCWYRMSA-N 1 0 320.408 3.072 20 10 DGCDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1cc(Br)ccc1O ZINC000756575936 621650763 /nfs/dbraw/zinc/65/07/63/621650763.db2.gz RJKADMDBHUQCJL-SNVBAGLBSA-N 1 0 314.223 3.110 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)[nH]n1 ZINC000756584653 621651173 /nfs/dbraw/zinc/65/11/73/621651173.db2.gz GVAWJKDDLCRGKV-VIFPVBQESA-N 1 0 310.195 3.037 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3nc(C)ncc32)c1 ZINC000756585977 621651278 /nfs/dbraw/zinc/65/12/78/621651278.db2.gz OJQHYSQHIVQALT-ZBEGNZNMSA-N 1 0 313.401 3.227 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)c2c1c(F)ccc2O ZINC000756584849 621651313 /nfs/dbraw/zinc/65/13/13/621651313.db2.gz HDTJTWQPBFDWFW-BYCMXARLSA-N 1 0 301.361 3.403 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Cl)ccc1O ZINC000756582127 621651383 /nfs/dbraw/zinc/65/13/83/621651383.db2.gz GJWDGBXSBHTWNM-OUCADQQQSA-N 1 0 324.852 3.343 20 10 DGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(C)C ZINC000756596918 621651869 /nfs/dbraw/zinc/65/18/69/621651869.db2.gz ILYJRTJVICHDGC-GWCFXTLKSA-N 1 0 316.239 3.476 20 10 DGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(C)C ZINC000756599078 621652193 /nfs/dbraw/zinc/65/21/93/621652193.db2.gz WSVJRCYYNPFKJE-MFKMUULPSA-N 1 0 316.239 3.476 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOC[C@@H]2CCOC2)c(O)c1C ZINC000756602954 621652324 /nfs/dbraw/zinc/65/23/24/621652324.db2.gz HBIPMWYWIWODDC-CVEARBPZSA-N 1 0 307.434 3.103 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]CCCOC[C@H]2CCOC2)c2c1c(F)ccc2O ZINC000756607147 621652697 /nfs/dbraw/zinc/65/26/97/621652697.db2.gz ZJDNFGTUBQUOTL-UMVBOHGHSA-N 1 0 323.408 3.112 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(Cl)ccc1O ZINC000756638320 621654631 /nfs/dbraw/zinc/65/46/31/621654631.db2.gz OFXVSBBLEDAXSF-LBPRGKRZSA-N 1 0 324.852 3.487 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c(O)c1C ZINC000756639360 621655002 /nfs/dbraw/zinc/65/50/02/621655002.db2.gz XOBCYGJBRZPQIR-OAHLLOKOSA-N 1 0 318.461 3.451 20 10 DGCDRO C[C@@H]([NH2+]CCNc1cnccn1)c1ccc2ccccc2c1O ZINC000756647380 621655910 /nfs/dbraw/zinc/65/59/10/621655910.db2.gz TZHYBGOYPUKKFN-CYBMUJFWSA-N 1 0 308.385 3.098 20 10 DGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)N1CCCC1 ZINC000756705663 621659271 /nfs/dbraw/zinc/65/92/71/621659271.db2.gz NFCOWYIJZHJCBV-LRDDRELGSA-N 1 0 324.852 3.343 20 10 DGCDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000756731515 621661234 /nfs/dbraw/zinc/66/12/34/621661234.db2.gz BZGKGOXSVXDJOA-KGLIPLIRSA-N 1 0 303.402 3.248 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc2ccccc2c1O ZINC000756731086 621661370 /nfs/dbraw/zinc/66/13/70/621661370.db2.gz DKYCWHASYRCSJD-OSDKZWGASA-N 1 0 324.424 3.205 20 10 DGCDRO C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000756741844 621661910 /nfs/dbraw/zinc/66/19/10/621661910.db2.gz XQDLROJHZYSICU-BJOHPYRUSA-N 1 0 311.303 3.194 20 10 DGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCCN2C(C)C)c1 ZINC000756763120 621662602 /nfs/dbraw/zinc/66/26/02/621662602.db2.gz YZRYWCLGIPQEHA-CABCVRRESA-N 1 0 306.450 3.314 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(F)ccc1O ZINC000756763279 621662675 /nfs/dbraw/zinc/66/26/75/621662675.db2.gz WRSKDWFKQCFSLS-LRDDRELGSA-N 1 0 320.408 3.116 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(Br)cc1O ZINC000756770048 621663357 /nfs/dbraw/zinc/66/33/57/621663357.db2.gz IRCCWEVUYUMXCE-YUSALJHKSA-N 1 0 314.223 3.109 20 10 DGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)C2 ZINC000756776237 621663741 /nfs/dbraw/zinc/66/37/41/621663741.db2.gz XISLTPULYXWZOF-UKRRQHHQSA-N 1 0 313.397 3.364 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c2c1c(F)ccc2O ZINC000756783446 621664268 /nfs/dbraw/zinc/66/42/68/621664268.db2.gz YWNAAJKEUBBBMM-QDTBLXIISA-N 1 0 321.392 3.007 20 10 DGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(CCCC3)O2)c2c1c(F)ccc2O ZINC000756785953 621664378 /nfs/dbraw/zinc/66/43/78/621664378.db2.gz HCVLLGGNJFRMRW-DYEKYZERSA-N 1 0 321.392 3.355 20 10 DGCDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000756995915 621678014 /nfs/dbraw/zinc/67/80/14/621678014.db2.gz MLLAQXXTUBRISZ-INIZCTEOSA-N 1 0 302.805 3.322 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC1=Cc2ccccc2OC1 ZINC000863642341 621692791 /nfs/dbraw/zinc/69/27/91/621692791.db2.gz XWHVZEAMMWMFNV-UHFFFAOYSA-N 1 0 306.409 3.374 20 10 DGCDRO CC[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccccc1O ZINC000839541001 621693112 /nfs/dbraw/zinc/69/31/12/621693112.db2.gz QDILYQPEJPKNPS-WBVHZDCISA-N 1 0 310.397 3.386 20 10 DGCDRO [NH3+]C[C@H]1CN(Cc2c(O)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000863646291 621693282 /nfs/dbraw/zinc/69/32/82/621693282.db2.gz ISGYFGSFMYOJON-GXSJLCMTSA-N 1 0 322.758 3.005 20 10 DGCDRO [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646021 621693456 /nfs/dbraw/zinc/69/34/56/621693456.db2.gz FTUBLRIYCZKJLP-ZYHUDNBSSA-N 1 0 322.758 3.005 20 10 DGCDRO Clc1cccc2c1OC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000757706897 621735078 /nfs/dbraw/zinc/73/50/78/621735078.db2.gz PRZHKNQPAIDEKS-OAHLLOKOSA-N 1 0 301.773 3.498 20 10 DGCDRO COc1cc(O)c(C[NH2+]CCC2CCC(OC)CC2)cc1OC ZINC000757985254 621751125 /nfs/dbraw/zinc/75/11/25/621751125.db2.gz NLCJCMUFEICFHL-UHFFFAOYSA-N 1 0 323.433 3.094 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1 ZINC000758546400 621788130 /nfs/dbraw/zinc/78/81/30/621788130.db2.gz OYUQZXWQTSNARJ-KRWDZBQOSA-N 1 0 310.441 3.495 20 10 DGCDRO C[N@H+](Cc1ccsc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000120471475 621884562 /nfs/dbraw/zinc/88/45/62/621884562.db2.gz OLDDDTUSLDNOKA-UHFFFAOYSA-N 1 0 320.433 3.356 20 10 DGCDRO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000760035565 621912125 /nfs/dbraw/zinc/91/21/25/621912125.db2.gz BAXSQMHUTMHSKL-HIFRSBDPSA-N 1 0 312.404 3.344 20 10 DGCDRO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000760035566 621912511 /nfs/dbraw/zinc/91/25/11/621912511.db2.gz BAXSQMHUTMHSKL-UKRRQHHQSA-N 1 0 312.404 3.344 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000760156784 621918512 /nfs/dbraw/zinc/91/85/12/621918512.db2.gz GPJAIWHJSQEFLH-IPMKNSEASA-N 1 0 314.473 3.498 20 10 DGCDRO Cn1nc2c(c1C[NH2+]CCCSc1nccs1)CCCC2 ZINC000865469345 621928407 /nfs/dbraw/zinc/92/84/07/621928407.db2.gz UODAIMDRGFWGOE-UHFFFAOYSA-N 1 0 322.503 3.027 20 10 DGCDRO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000789588322 625531370 /nfs/dbraw/zinc/53/13/70/625531370.db2.gz BHMSGBAPLDPBKD-CYBMUJFWSA-N 1 0 318.367 3.381 20 10 DGCDRO CCC(CC)(C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)OC ZINC000760881334 621971267 /nfs/dbraw/zinc/97/12/67/621971267.db2.gz HKJQWDVDFSQSGK-CQSZACIVSA-N 1 0 306.450 3.383 20 10 DGCDRO CCOCc1cc(C[NH2+]CC[C@H]2CCSC2)ccc1OC ZINC000865654723 621972024 /nfs/dbraw/zinc/97/20/24/621972024.db2.gz TVOBFBHCJAPTRB-AWEZNQCLSA-N 1 0 309.475 3.465 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865694632 621979056 /nfs/dbraw/zinc/97/90/56/621979056.db2.gz SZHAKFMKSBXLSL-FLFBIERCSA-N 1 0 312.457 3.190 20 10 DGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865694637 621979114 /nfs/dbraw/zinc/97/91/14/621979114.db2.gz SZHAKFMKSBXLSL-KRFUXDQASA-N 1 0 312.457 3.190 20 10 DGCDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000866414342 622113815 /nfs/dbraw/zinc/11/38/15/622113815.db2.gz DYTKNPWDZDOYRX-CMPLNLGQSA-N 1 0 316.239 3.356 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@@H](O)C(F)(F)F ZINC000866463015 622122272 /nfs/dbraw/zinc/12/22/72/622122272.db2.gz GKOPXZNQQBBSNR-FEUHOPSXSA-N 1 0 317.351 3.233 20 10 DGCDRO CC(C)[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)[C@H](O)C(F)(F)F ZINC000866464887 622122891 /nfs/dbraw/zinc/12/28/91/622122891.db2.gz ZNXUCUVPNTXGDC-JCOFBHIZSA-N 1 0 309.303 3.130 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c1O ZINC000866491242 622126730 /nfs/dbraw/zinc/12/67/30/622126730.db2.gz OKYUQPXXNCFMNY-MJEQTWJJSA-N 1 0 305.418 3.399 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)on1 ZINC000866515224 622130994 /nfs/dbraw/zinc/13/09/94/622130994.db2.gz DMLAXTHRGHBEOH-SECBINFHSA-N 1 0 324.764 3.061 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c(O)c1C ZINC000866533746 622133944 /nfs/dbraw/zinc/13/39/44/622133944.db2.gz VBCFZRSAMGITCI-CVEARBPZSA-N 1 0 319.445 3.245 20 10 DGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cn(C)c3ncccc23)c1 ZINC000866572628 622140977 /nfs/dbraw/zinc/14/09/77/622140977.db2.gz DDSUUZVETUOSHS-CQSZACIVSA-N 1 0 309.413 3.481 20 10 DGCDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CCOC1 ZINC000763572751 622153124 /nfs/dbraw/zinc/15/31/24/622153124.db2.gz OQPRPSLHZSLHDA-LPHOPBHVSA-N 1 0 318.461 3.133 20 10 DGCDRO Cc1cc(Cl)cc(C[N@H+](C)CCCNC(=O)C2CCC2)c1O ZINC000763628283 622155858 /nfs/dbraw/zinc/15/58/58/622155858.db2.gz VMVUZGPYQRHKHU-UHFFFAOYSA-N 1 0 324.852 3.092 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000764612742 622207285 /nfs/dbraw/zinc/20/72/85/622207285.db2.gz YEFALDJDEVDCHK-QGZVFWFLSA-N 1 0 312.413 3.044 20 10 DGCDRO CC[C@@H]([NH2+]CCc1nnc2ccccn21)c1ccc(N(C)C)cc1 ZINC000764642393 622209466 /nfs/dbraw/zinc/20/94/66/622209466.db2.gz ZIUKKJFVBNCJKM-QGZVFWFLSA-N 1 0 323.444 3.079 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000764769809 622218960 /nfs/dbraw/zinc/21/89/60/622218960.db2.gz LLBYIPYMNUJLPR-XIKOKIGWSA-N 1 0 320.383 3.415 20 10 DGCDRO CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000868163172 622220844 /nfs/dbraw/zinc/22/08/44/622220844.db2.gz KQCQIPZQRDSWNH-CYBMUJFWSA-N 1 0 313.401 3.384 20 10 DGCDRO C[C@@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764949799 622234968 /nfs/dbraw/zinc/23/49/68/622234968.db2.gz NCRPNDZVCFRONX-IXDOHACOSA-N 1 0 303.494 3.381 20 10 DGCDRO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000764966001 622236796 /nfs/dbraw/zinc/23/67/96/622236796.db2.gz WXRFIIRMTLKWMR-IPELMVKDSA-N 1 0 301.478 3.420 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000765359773 622260944 /nfs/dbraw/zinc/26/09/44/622260944.db2.gz YLHPMEQQQWLXMV-DOTOQJQBSA-N 1 0 323.440 3.209 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCCN(C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000765632347 622278259 /nfs/dbraw/zinc/27/82/59/622278259.db2.gz ZRJJBWJAADKNDY-RDJZCZTQSA-N 1 0 319.449 3.024 20 10 DGCDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000765658678 622280466 /nfs/dbraw/zinc/28/04/66/622280466.db2.gz IXBPONCOMXBHGY-ZDUSSCGKSA-N 1 0 300.450 3.437 20 10 DGCDRO COc1ccc(N2CCC([NH2+]CCOCC3CCC3)CC2)cc1 ZINC000765681912 622281880 /nfs/dbraw/zinc/28/18/80/622281880.db2.gz XTZZISSJPMBBEI-UHFFFAOYSA-N 1 0 318.461 3.070 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765769485 622285935 /nfs/dbraw/zinc/28/59/35/622285935.db2.gz KUJGFBGWBMYCOX-WMZOPIPTSA-N 1 0 301.478 3.422 20 10 DGCDRO CC[C@@H]([NH2+]CCCSc1nccs1)C1CCOCC1 ZINC000766074648 622303661 /nfs/dbraw/zinc/30/36/61/622303661.db2.gz YVEPQKMHLRXMQQ-CYBMUJFWSA-N 1 0 300.493 3.420 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1 ZINC000766090536 622305280 /nfs/dbraw/zinc/30/52/80/622305280.db2.gz VIMNBYAPDZRDIG-IAGOWNOFSA-N 1 0 307.434 3.473 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000766116891 622307342 /nfs/dbraw/zinc/30/73/42/622307342.db2.gz JAXFMSZDIXBPDO-LLVKDONJSA-N 1 0 303.324 3.484 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1 ZINC000767729939 622419111 /nfs/dbraw/zinc/41/91/11/622419111.db2.gz WZLIVKXXHZXOLY-MRXNPFEDSA-N 1 0 313.397 3.144 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c(O)c1 ZINC000767728796 622419148 /nfs/dbraw/zinc/41/91/48/622419148.db2.gz SGSBIBNVAYHVFJ-MRXNPFEDSA-N 1 0 313.397 3.144 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000768245376 622447411 /nfs/dbraw/zinc/44/74/11/622447411.db2.gz QRDFBGSPOAKBBM-LJQANCHMSA-N 1 0 310.441 3.407 20 10 DGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768438011 622455677 /nfs/dbraw/zinc/45/56/77/622455677.db2.gz NQFIERXZFKQALK-MRXNPFEDSA-N 1 0 317.429 3.046 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](Cc1cccs1)C1CC1)[C@@H](O)CO2 ZINC000768441228 622456219 /nfs/dbraw/zinc/45/62/19/622456219.db2.gz IMLUWCGVJIRMLC-INIZCTEOSA-N 1 0 317.410 3.044 20 10 DGCDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768446235 622456801 /nfs/dbraw/zinc/45/68/01/622456801.db2.gz LROPACMFOGHOBO-PBHICJAKSA-N 1 0 319.445 3.466 20 10 DGCDRO COC(=O)CC[N@H+](Cc1cc2c(cc1O)CCCC2)C(C)C ZINC000768447946 622457169 /nfs/dbraw/zinc/45/71/69/622457169.db2.gz RXPWEFPUEPODOE-UHFFFAOYSA-N 1 0 305.418 3.045 20 10 DGCDRO CC(C)C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC(C)(C)C ZINC000768461783 622457623 /nfs/dbraw/zinc/45/76/23/622457623.db2.gz DOSPEHZXQBGNRG-INIZCTEOSA-N 1 0 307.434 3.322 20 10 DGCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2c(O)cccc2OC)o1 ZINC000768541300 622463411 /nfs/dbraw/zinc/46/34/11/622463411.db2.gz MSGHTUORWVEXII-HNNXBMFYSA-N 1 0 317.385 3.477 20 10 DGCDRO COc1cc2c(cc1C[N@H+](C)Cc1ccccc1O)O[C@H](C)C2 ZINC000768872049 622482169 /nfs/dbraw/zinc/48/21/69/622482169.db2.gz AOFQYXKJPLXNTR-CYBMUJFWSA-N 1 0 313.397 3.356 20 10 DGCDRO CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c(O)c1 ZINC000768892085 622483734 /nfs/dbraw/zinc/48/37/34/622483734.db2.gz FZELGONQDGOAGT-HNNXBMFYSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1cccc(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1O ZINC000768913685 622484894 /nfs/dbraw/zinc/48/48/94/622484894.db2.gz PGUJOTPLZKHFEI-INMHGKMJSA-N 1 0 318.461 3.238 20 10 DGCDRO CCOc1ccc(C[NH+]2CCC(OCC(C)C)CC2)c(O)c1 ZINC000768937885 622486519 /nfs/dbraw/zinc/48/65/19/622486519.db2.gz FJFTUOBTQYHZKP-UHFFFAOYSA-N 1 0 307.434 3.428 20 10 DGCDRO CN(C)c1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1F ZINC000768936554 622486776 /nfs/dbraw/zinc/48/67/76/622486776.db2.gz FNMOGLIDAMUOBN-QGZVFWFLSA-N 1 0 319.468 3.342 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000768999957 622491444 /nfs/dbraw/zinc/49/14/44/622491444.db2.gz RQGWYPPOTLNMFZ-UHFFFAOYSA-N 1 0 309.457 3.465 20 10 DGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769148939 622502190 /nfs/dbraw/zinc/50/21/90/622502190.db2.gz VQACGKHSOUASMC-OAHLLOKOSA-N 1 0 306.425 3.284 20 10 DGCDRO CCOc1cccc(CN2CCC[N@@H+](C(C)(C)C)CC2)c1O ZINC000769188928 622506580 /nfs/dbraw/zinc/50/65/80/622506580.db2.gz RSIANELVRFXYTH-UHFFFAOYSA-N 1 0 306.450 3.097 20 10 DGCDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cccc(OC)c1O)C2 ZINC000769331751 622518590 /nfs/dbraw/zinc/51/85/90/622518590.db2.gz XGEAQJCCPGUBRD-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000769446018 622528080 /nfs/dbraw/zinc/52/80/80/622528080.db2.gz KPCFKMBHQGBDJD-LJQANCHMSA-N 1 0 313.397 3.283 20 10 DGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769447617 622528619 /nfs/dbraw/zinc/52/86/19/622528619.db2.gz HYJWUQNHMLUSJU-ZBFHGGJFSA-N 1 0 306.425 3.283 20 10 DGCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@@H](CC)CN1C(C)=O ZINC000769494945 622533961 /nfs/dbraw/zinc/53/39/61/622533961.db2.gz CBEKDRZYYLBGND-JKSUJKDBSA-N 1 0 324.852 3.267 20 10 DGCDRO c1ccc(C[C@H]2CC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000769505528 622535531 /nfs/dbraw/zinc/53/55/31/622535531.db2.gz CVUNOKKVMWWMFP-OAQYLSRUSA-N 1 0 322.452 3.340 20 10 DGCDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000769513594 622536550 /nfs/dbraw/zinc/53/65/50/622536550.db2.gz CHKFYKNUQXBQAW-CQSZACIVSA-N 1 0 308.853 3.209 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000769514289 622536689 /nfs/dbraw/zinc/53/66/89/622536689.db2.gz IUHPXLHSQTWUQL-QZTJIDSGSA-N 1 0 302.462 3.391 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c(O)c1 ZINC000769519592 622537561 /nfs/dbraw/zinc/53/75/61/622537561.db2.gz TVFQIQODXAGOLX-HNNXBMFYSA-N 1 0 305.418 3.039 20 10 DGCDRO CN(Cc1ccccc1O)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000769709478 622552222 /nfs/dbraw/zinc/55/22/22/622552222.db2.gz JLUSBGHRNXFUIZ-UHFFFAOYSA-N 1 0 304.434 3.005 20 10 DGCDRO CC[NH+](CC)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871202254 622566532 /nfs/dbraw/zinc/56/65/32/622566532.db2.gz BHWSYESQGGFXRL-IBGZPJMESA-N 1 0 324.424 3.318 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000770374371 622625581 /nfs/dbraw/zinc/62/55/81/622625581.db2.gz MXFJSPUFQPRGLD-GOEBONIOSA-N 1 0 305.418 3.039 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000770374992 622627009 /nfs/dbraw/zinc/62/70/09/622627009.db2.gz PMYCBBQNBZIEDN-JKSUJKDBSA-N 1 0 306.425 3.140 20 10 DGCDRO Cc1cc(C(=O)N[C@@H](C)C[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000805424200 622735577 /nfs/dbraw/zinc/73/55/77/622735577.db2.gz RNGKXIZVKVTHJJ-AWEZNQCLSA-N 1 0 313.445 3.082 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(N(C)C)cc1 ZINC000123895365 622747955 /nfs/dbraw/zinc/74/79/55/622747955.db2.gz QZRRAOBLIYCMKJ-RHSMWYFYSA-N 1 0 301.434 3.299 20 10 DGCDRO CCOCc1cc(C[NH2+]C2CCC(O)(CC)CC2)ccc1OC ZINC000771875794 622808150 /nfs/dbraw/zinc/80/81/50/622808150.db2.gz SQXANAGRUFPPLW-UHFFFAOYSA-N 1 0 321.461 3.405 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1O ZINC000872111281 622813941 /nfs/dbraw/zinc/81/39/41/622813941.db2.gz CAXZNUJAUDJVSI-VXGBXAGGSA-N 1 0 311.809 3.348 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000872125797 622822023 /nfs/dbraw/zinc/82/20/23/622822023.db2.gz DVPZRRKAWPBFMG-BXWFABGCSA-N 1 0 302.462 3.489 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1Cl ZINC000872253995 622868144 /nfs/dbraw/zinc/86/81/44/622868144.db2.gz OHNCXTYSMGKDCA-ZDUSSCGKSA-N 1 0 305.752 3.210 20 10 DGCDRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc4c(c3)CCO4)c(C)n2n1 ZINC000772447701 622898123 /nfs/dbraw/zinc/89/81/23/622898123.db2.gz MHKKNXDKKOVCKK-CYBMUJFWSA-N 1 0 322.412 3.132 20 10 DGCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](C(F)F)CC1)CCCC2 ZINC000872681833 622952748 /nfs/dbraw/zinc/95/27/48/622952748.db2.gz UVEXNSKQWXYIRF-MRXNPFEDSA-N 1 0 311.372 3.127 20 10 DGCDRO COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773024561 622969881 /nfs/dbraw/zinc/96/98/81/622969881.db2.gz IVAIAQLKDYIUIV-DLBZAZTESA-N 1 0 320.477 3.379 20 10 DGCDRO CCCOc1ccc(C[NH2+]CCCc2cnn(C)c2)cc1C ZINC000873037505 623023223 /nfs/dbraw/zinc/02/32/23/623023223.db2.gz WJVKTBXJIHHUKA-UHFFFAOYSA-N 1 0 301.434 3.240 20 10 DGCDRO CC[C@@H](CSC)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873100810 623036995 /nfs/dbraw/zinc/03/69/95/623036995.db2.gz FJUUEQUMFNLOTE-INIZCTEOSA-N 1 0 319.474 3.171 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@H](C)C2(OC)CCOCC2)cc1C ZINC000873132324 623043926 /nfs/dbraw/zinc/04/39/26/623043926.db2.gz OTJKTFHAYCOCOZ-MRXNPFEDSA-N 1 0 321.461 3.458 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(CCC)C2)cc1C ZINC000873132025 623044151 /nfs/dbraw/zinc/04/41/51/623044151.db2.gz DJDRHZPWBPUEDE-KRWDZBQOSA-N 1 0 318.461 3.132 20 10 DGCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)ccc1OC ZINC000873156215 623054894 /nfs/dbraw/zinc/05/48/94/623054894.db2.gz JUHHRADNBHXKJT-IEZWGBDMSA-N 1 0 319.445 3.279 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000773745324 623066829 /nfs/dbraw/zinc/06/68/29/623066829.db2.gz AOCUEZRNGDBPNN-QGZVFWFLSA-N 1 0 310.445 3.312 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000773810631 623074261 /nfs/dbraw/zinc/07/42/61/623074261.db2.gz VMHZHQCAZUCQEZ-FQEVSTJZSA-N 1 0 310.441 3.066 20 10 DGCDRO CCN(C)c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000773811687 623074336 /nfs/dbraw/zinc/07/43/36/623074336.db2.gz RWZMZLZKVIFKHX-UHFFFAOYSA-N 1 0 316.367 3.032 20 10 DGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000773895009 623086851 /nfs/dbraw/zinc/08/68/51/623086851.db2.gz OZRGTFGIUKHHON-KRWDZBQOSA-N 1 0 312.461 3.256 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1 ZINC000774467944 623149234 /nfs/dbraw/zinc/14/92/34/623149234.db2.gz FYLYALPERMOXBP-MAUKXSAKSA-N 1 0 318.461 3.479 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000774486726 623152245 /nfs/dbraw/zinc/15/22/45/623152245.db2.gz XMDRHKHZNRUSFV-CVEARBPZSA-N 1 0 317.477 3.194 20 10 DGCDRO CCCN(Cc1ccc(C(=O)OC)cc1)c1ccc(C[NH3+])cc1 ZINC000775140638 623234788 /nfs/dbraw/zinc/23/47/88/623234788.db2.gz NXKSLFXRCCYHAW-UHFFFAOYSA-N 1 0 312.413 3.349 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1O ZINC000775136631 623234960 /nfs/dbraw/zinc/23/49/60/623234960.db2.gz MJSKRSOGEJGZQB-HNNXBMFYSA-N 1 0 324.424 3.479 20 10 DGCDRO C[C@@H]([NH2+]CCCCCCCO)c1ccc(N2CCOCC2)cc1 ZINC000775262353 623247342 /nfs/dbraw/zinc/24/73/42/623247342.db2.gz ZYDOTYCHLOCJEX-QGZVFWFLSA-N 1 0 320.477 3.117 20 10 DGCDRO COc1ccc(C[NH2+]CCc2nn(C)c3ccccc23)cc1C ZINC000775319097 623253244 /nfs/dbraw/zinc/25/32/44/623253244.db2.gz NBNZWQHLXOSURL-UHFFFAOYSA-N 1 0 309.413 3.223 20 10 DGCDRO C[C@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000775361699 623259906 /nfs/dbraw/zinc/25/99/06/623259906.db2.gz DQNYTEKXBKLJCC-AWEZNQCLSA-N 1 0 321.428 3.389 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccc(N(C)C)cc1 ZINC000775363931 623260286 /nfs/dbraw/zinc/26/02/86/623260286.db2.gz NTNRGURXZZPPGR-CQSZACIVSA-N 1 0 308.429 3.490 20 10 DGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cc(C)c(C)cc1O)C(C)C ZINC000775373220 623261562 /nfs/dbraw/zinc/26/15/62/623261562.db2.gz AWZLBQNUXMYEJV-GOSISDBHSA-N 1 0 307.434 3.467 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@H]3CCSC3)c2c1 ZINC000124967812 623264550 /nfs/dbraw/zinc/26/45/50/623264550.db2.gz HVLWKJYMAZIIDM-ZDUSSCGKSA-N 1 0 303.427 3.491 20 10 DGCDRO CC[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccccc1O ZINC000775412988 623271808 /nfs/dbraw/zinc/27/18/08/623271808.db2.gz SZOPIQPIVQAJJO-GFCCVEGCSA-N 1 0 313.323 3.392 20 10 DGCDRO CC[C@@H]([NH2+]CC(=O)N(CC)c1ccccc1)c1ccccc1O ZINC000775412782 623272106 /nfs/dbraw/zinc/27/21/06/623272106.db2.gz QIRZLYGOIKCNEL-QGZVFWFLSA-N 1 0 312.413 3.486 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cc(Cl)ccc1O ZINC000775496611 623281072 /nfs/dbraw/zinc/28/10/72/623281072.db2.gz KNDDVHKJZNWWDG-MFKMUULPSA-N 1 0 312.841 3.390 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000775524246 623284075 /nfs/dbraw/zinc/28/40/75/623284075.db2.gz RAJWRXFUEKMTRR-MWLCHTKSSA-N 1 0 311.731 3.400 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cc(Cl)ccc1O ZINC000775524533 623284119 /nfs/dbraw/zinc/28/41/19/623284119.db2.gz BKJSYWLGYAPUNR-JSGCOSHPSA-N 1 0 310.825 3.096 20 10 DGCDRO CCc1nn(C)cc1C[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000775647006 623303469 /nfs/dbraw/zinc/30/34/69/623303469.db2.gz QLOBXSZCNVPGGO-UHFFFAOYSA-N 1 0 314.477 3.461 20 10 DGCDRO CC[C@]1(C)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726414 623319426 /nfs/dbraw/zinc/31/94/26/623319426.db2.gz RKOZDABLQOWLNX-LJQANCHMSA-N 1 0 301.478 3.060 20 10 DGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1 ZINC000775740556 623322559 /nfs/dbraw/zinc/32/25/59/623322559.db2.gz OBKGHFFBPHAGCQ-DJJJIMSYSA-N 1 0 313.397 3.225 20 10 DGCDRO C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc(F)c3[O-])CC[C@H]21 ZINC000775742539 623323366 /nfs/dbraw/zinc/32/33/66/623323366.db2.gz UUFGYCYROOJSLP-XHDPSFHLSA-N 1 0 312.816 3.101 20 10 DGCDRO C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000775832068 623338234 /nfs/dbraw/zinc/33/82/34/623338234.db2.gz WYWODTPVPYUFQN-ZDUSSCGKSA-N 1 0 315.392 3.181 20 10 DGCDRO CCCCC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830418 623338271 /nfs/dbraw/zinc/33/82/71/623338271.db2.gz IEVYQERJSDSZFT-CVEARBPZSA-N 1 0 319.493 3.488 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775829943 623338511 /nfs/dbraw/zinc/33/85/11/623338511.db2.gz BEMNUBYAXSGBMQ-OAGGEKHMSA-N 1 0 317.477 3.193 20 10 DGCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)oc1C ZINC000775832290 623338638 /nfs/dbraw/zinc/33/86/38/623338638.db2.gz XZUTUWMMOLJSRM-LBPRGKRZSA-N 1 0 316.401 3.291 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775834715 623339192 /nfs/dbraw/zinc/33/91/92/623339192.db2.gz PIDMRCQTIPDWMY-RLFYNMQTSA-N 1 0 317.477 3.098 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775834714 623339436 /nfs/dbraw/zinc/33/94/36/623339436.db2.gz PIDMRCQTIPDWMY-MPGHIAIKSA-N 1 0 317.477 3.098 20 10 DGCDRO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775837453 623339913 /nfs/dbraw/zinc/33/99/13/623339913.db2.gz SRCBKJJVHOJDGK-HZPDHXFCSA-N 1 0 319.493 3.296 20 10 DGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775997428 623362721 /nfs/dbraw/zinc/36/27/21/623362721.db2.gz ASMWQYAPVBYOEU-YOEHRIQHSA-N 1 0 306.425 3.283 20 10 DGCDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776257605 623402722 /nfs/dbraw/zinc/40/27/22/623402722.db2.gz YYYOYEGNWDDDAG-GFCCVEGCSA-N 1 0 316.401 3.218 20 10 DGCDRO C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000776268716 623404428 /nfs/dbraw/zinc/40/44/28/623404428.db2.gz FNUNESBEBHLWES-WCVJEAGWSA-N 1 0 317.477 3.191 20 10 DGCDRO c1cc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)cc2c1OCC2 ZINC000776959997 623480133 /nfs/dbraw/zinc/48/01/33/623480133.db2.gz XBGANUZIPJYYJU-QGZVFWFLSA-N 1 0 317.429 3.177 20 10 DGCDRO CC(C)(C)[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000790410270 625649722 /nfs/dbraw/zinc/64/97/22/625649722.db2.gz BNQARCUXTUNGQY-KRWDZBQOSA-N 1 0 300.402 3.187 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000777243514 623508307 /nfs/dbraw/zinc/50/83/07/623508307.db2.gz UNRGOWUJVBHIAM-AWEZNQCLSA-N 1 0 310.388 3.441 20 10 DGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777438914 623524865 /nfs/dbraw/zinc/52/48/65/623524865.db2.gz SLQFWAAJXYNHMC-KRWDZBQOSA-N 1 0 321.779 3.278 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c1 ZINC000777484119 623530882 /nfs/dbraw/zinc/53/08/82/623530882.db2.gz JPSKMQIHEJJXAQ-UGSOOPFHSA-N 1 0 307.434 3.068 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(O)(C(F)F)CC2)cc1C(C)C ZINC000777569418 623543374 /nfs/dbraw/zinc/54/33/74/623543374.db2.gz HHUDOEFQGOSHOH-UHFFFAOYSA-N 1 0 313.388 3.416 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2cc(Cl)ccc2O)ccc1O ZINC000125967760 623624944 /nfs/dbraw/zinc/62/49/44/623624944.db2.gz WBZQPONBWZHUHY-UHFFFAOYSA-N 1 0 307.777 3.392 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C2(C(=O)Nc3ccccc3)CC2)cc1C ZINC000778218144 623627092 /nfs/dbraw/zinc/62/70/92/623627092.db2.gz PASSEVCOGNYXJK-UHFFFAOYSA-N 1 0 310.397 3.270 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000876550279 623641454 /nfs/dbraw/zinc/64/14/54/623641454.db2.gz WSKZPDCENUCBKT-UHFFFAOYSA-N 1 0 322.412 3.123 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000876590972 623653839 /nfs/dbraw/zinc/65/38/39/623653839.db2.gz CBMRKXUFRPZJMV-GOSISDBHSA-N 1 0 301.361 3.413 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000876611876 623659475 /nfs/dbraw/zinc/65/94/75/623659475.db2.gz UNTNWULDGYSRCK-GFCCVEGCSA-N 1 0 303.324 3.244 20 10 DGCDRO Cc1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000876683772 623681320 /nfs/dbraw/zinc/68/13/20/623681320.db2.gz GOFKBKSBDJDFPF-UHFFFAOYSA-N 1 0 305.418 3.254 20 10 DGCDRO Cc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(O)c1 ZINC000876700759 623686193 /nfs/dbraw/zinc/68/61/93/623686193.db2.gz XGRMTHQALYGFLS-UHFFFAOYSA-N 1 0 323.396 3.164 20 10 DGCDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876732986 623692177 /nfs/dbraw/zinc/69/21/77/623692177.db2.gz LHCUIKNWLCOSHG-INIZCTEOSA-N 1 0 302.462 3.412 20 10 DGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876748069 623695296 /nfs/dbraw/zinc/69/52/96/623695296.db2.gz ULGVRTPLDXSCOZ-WBVHZDCISA-N 1 0 302.462 3.268 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000876807471 623710920 /nfs/dbraw/zinc/71/09/20/623710920.db2.gz FASODUOLSUIYHP-YOEHRIQHSA-N 1 0 301.386 3.382 20 10 DGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000876817888 623716311 /nfs/dbraw/zinc/71/63/11/623716311.db2.gz OIDYFSYLRREBGZ-CQSZACIVSA-N 1 0 312.417 3.076 20 10 DGCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000779000409 623719188 /nfs/dbraw/zinc/71/91/88/623719188.db2.gz VIIZHNZFPLBWCK-CPUCHLNUSA-N 1 0 306.425 3.369 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000779010373 623720820 /nfs/dbraw/zinc/72/08/20/623720820.db2.gz UMENILRBOMCGAG-GOSISDBHSA-N 1 0 301.361 3.495 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1O ZINC000779018334 623721498 /nfs/dbraw/zinc/72/14/98/623721498.db2.gz LBIWOXQXMBRWTI-OAHLLOKOSA-N 1 0 314.404 3.238 20 10 DGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccn(C)n2)c1O ZINC000779040450 623724132 /nfs/dbraw/zinc/72/41/32/623724132.db2.gz IWMWLBIDOXTHOR-JTQLQIEISA-N 1 0 324.222 3.047 20 10 DGCDRO Cc1ccc(CNc2ccc(OCC[NH+](C)C)cc2)c(O)c1 ZINC000876836400 623724460 /nfs/dbraw/zinc/72/44/60/623724460.db2.gz WIWORHITODSXRJ-UHFFFAOYSA-N 1 0 300.402 3.253 20 10 DGCDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1O ZINC000779201483 623741608 /nfs/dbraw/zinc/74/16/08/623741608.db2.gz QAKUBUHWKBYBGE-OKILXGFUSA-N 1 0 320.433 3.222 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC1(F)F ZINC000876966015 623756410 /nfs/dbraw/zinc/75/64/10/623756410.db2.gz OMERVVOTAVMGDR-SUMWQHHRSA-N 1 0 324.415 3.029 20 10 DGCDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876995252 623762496 /nfs/dbraw/zinc/76/24/96/623762496.db2.gz CPPSDJMZDLQGLP-ZSEKCTLFSA-N 1 0 311.362 3.434 20 10 DGCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000779431985 623769416 /nfs/dbraw/zinc/76/94/16/623769416.db2.gz JEXYZKCQNBAFNV-MAUKXSAKSA-N 1 0 305.418 3.221 20 10 DGCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000779604131 623781190 /nfs/dbraw/zinc/78/11/90/623781190.db2.gz HJXORRQJLCKTMM-HNNXBMFYSA-N 1 0 305.418 3.112 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000877075930 623785329 /nfs/dbraw/zinc/78/53/29/623785329.db2.gz SXGDEBXNEADKBK-UHFFFAOYSA-N 1 0 308.422 3.094 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000877131356 623799805 /nfs/dbraw/zinc/79/98/05/623799805.db2.gz YKAJIXZEQDZFMH-ACJLOTCBSA-N 1 0 303.377 3.442 20 10 DGCDRO CN(Cc1cc(C2CC2)no1)c1ccc(OCC[NH+](C)C)cc1 ZINC000877342524 623855393 /nfs/dbraw/zinc/85/53/93/623855393.db2.gz OGNASSFZKQTBIB-UHFFFAOYSA-N 1 0 315.417 3.129 20 10 DGCDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877460747 623892860 /nfs/dbraw/zinc/89/28/60/623892860.db2.gz UKQQVOHCBRQPHU-CQSZACIVSA-N 1 0 303.324 3.244 20 10 DGCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000877476484 623900745 /nfs/dbraw/zinc/90/07/45/623900745.db2.gz FZIXITUIGSEABM-MJGOQNOKSA-N 1 0 315.388 3.096 20 10 DGCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCC(F)(F)C3)cc2)CC1 ZINC000877494912 623910945 /nfs/dbraw/zinc/91/09/45/623910945.db2.gz PZTZIZUQHAZKAP-HNNXBMFYSA-N 1 0 324.415 3.173 20 10 DGCDRO C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877525186 623923403 /nfs/dbraw/zinc/92/34/03/623923403.db2.gz UIAMYFMEIATZKM-UHFFFAOYSA-N 1 0 320.383 3.364 20 10 DGCDRO COc1cc(C[NH2+]Cc2cccc(OC)c2O)c(Cl)cc1O ZINC000877526936 623924496 /nfs/dbraw/zinc/92/44/96/623924496.db2.gz WJUVOCRTUWUGHI-UHFFFAOYSA-N 1 0 323.776 3.058 20 10 DGCDRO COCCC[N@H+](Cc1ccncc1)Cc1c(C)cccc1O ZINC000877525377 623924997 /nfs/dbraw/zinc/92/49/97/623924997.db2.gz AVHCNAIJTYLPEH-UHFFFAOYSA-N 1 0 300.402 3.134 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CCc2cccnc2)c1 ZINC000877532253 623928006 /nfs/dbraw/zinc/92/80/06/623928006.db2.gz CYVLBVADARPNPP-KGLIPLIRSA-N 1 0 300.402 3.468 20 10 DGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC000877535481 623930137 /nfs/dbraw/zinc/93/01/37/623930137.db2.gz OGRYWSIJMZGQBQ-GOSISDBHSA-N 1 0 314.473 3.270 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000877542548 623934912 /nfs/dbraw/zinc/93/49/12/623934912.db2.gz TVZGTEALHSMEOK-HNNXBMFYSA-N 1 0 314.404 3.456 20 10 DGCDRO C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790748149 625691914 /nfs/dbraw/zinc/69/19/14/625691914.db2.gz JYSZRUBCQCMNDN-ZDUSSCGKSA-N 1 0 321.421 3.073 20 10 DGCDRO Cc1cccc(O)c1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000877548688 623937104 /nfs/dbraw/zinc/93/71/04/623937104.db2.gz QZOAZVCHTJCOQP-UHFFFAOYSA-N 1 0 311.425 3.227 20 10 DGCDRO O=C1C[C@]2(CC[N@@H+](Cc3ccccc3O)C2)Oc2ccccc21 ZINC000877590025 623953733 /nfs/dbraw/zinc/95/37/33/623953733.db2.gz WHGMTVMYCQCOJU-IBGZPJMESA-N 1 0 309.365 3.002 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000877593611 623955835 /nfs/dbraw/zinc/95/58/35/623955835.db2.gz WYAOAXWBKIRSGP-MRXNPFEDSA-N 1 0 300.377 3.208 20 10 DGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000877602947 623959258 /nfs/dbraw/zinc/95/92/58/623959258.db2.gz AJSYMOAWVCFUGJ-UONOGXRCSA-N 1 0 322.449 3.482 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccnn1CC1CCC1 ZINC000877612781 623961985 /nfs/dbraw/zinc/96/19/85/623961985.db2.gz OLWIMVGBRNVPAR-UHFFFAOYSA-N 1 0 305.809 3.332 20 10 DGCDRO c1ccc(C2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000877666184 623984020 /nfs/dbraw/zinc/98/40/20/623984020.db2.gz ZILAWGPQRQSCOE-UHFFFAOYSA-N 1 0 308.425 3.123 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780788942 623985815 /nfs/dbraw/zinc/98/58/15/623985815.db2.gz DWHROFUTAQMBTE-HNNXBMFYSA-N 1 0 313.397 3.302 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000877672487 623987235 /nfs/dbraw/zinc/98/72/35/623987235.db2.gz FYXOIHWSJXVBEO-FUHWJXTLSA-N 1 0 313.397 3.099 20 10 DGCDRO OC1CCN(c2ccc(C[NH+]3CCC(CCF)CC3)cc2)CC1 ZINC000877674095 623987463 /nfs/dbraw/zinc/98/74/63/623987463.db2.gz MQCURJOOVFWDQO-UHFFFAOYSA-N 1 0 320.452 3.219 20 10 DGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)cc1F ZINC000780892554 623994216 /nfs/dbraw/zinc/99/42/16/623994216.db2.gz LIIIWFFRTVURPZ-HOCLYGCPSA-N 1 0 308.441 3.265 20 10 DGCDRO COc1ccc(O)c(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1 ZINC000877698461 623995388 /nfs/dbraw/zinc/99/53/88/623995388.db2.gz VTNDNXILVUNCAM-KRWDZBQOSA-N 1 0 305.418 3.230 20 10 DGCDRO COC(=O)c1coc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000877699480 623996181 /nfs/dbraw/zinc/99/61/81/623996181.db2.gz MKVWBQNHQRGHDY-UHFFFAOYSA-N 1 0 309.749 3.023 20 10 DGCDRO CS[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000877700526 623996550 /nfs/dbraw/zinc/99/65/50/623996550.db2.gz QQRYEYJVVDLIQM-XYPYZODXSA-N 1 0 302.237 3.138 20 10 DGCDRO O=C(c1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1)N1CCCC1 ZINC000877702810 623997787 /nfs/dbraw/zinc/99/77/87/623997787.db2.gz IJURWAMEYVZXNK-UHFFFAOYSA-N 1 0 322.408 3.144 20 10 DGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1O ZINC000790737618 625691281 /nfs/dbraw/zinc/69/12/81/625691281.db2.gz NTIHRCKCZCIVIQ-OCCSQVGLSA-N 1 0 321.367 3.172 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(C(C)(C)O)CC2)cc1 ZINC000877751735 624018195 /nfs/dbraw/zinc/01/81/95/624018195.db2.gz HZJVVCIMFSBHAR-WAYWQWQTSA-N 1 0 302.462 3.249 20 10 DGCDRO COc1cc(OC)c(C[NH2+][C@H](C)c2ccccc2O)cc1F ZINC000877755663 624022021 /nfs/dbraw/zinc/02/20/21/624022021.db2.gz KRZJHZLDBCEICV-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO COc1ccc([C@H]2C[N@H+](Cc3cccc(C)c3O)CCO2)cc1 ZINC000877757723 624023763 /nfs/dbraw/zinc/02/37/63/624023763.db2.gz SKOIRUVLIRFDIH-GOSISDBHSA-N 1 0 313.397 3.283 20 10 DGCDRO CCOC(=O)N1CCC(C)(C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000877758426 624024261 /nfs/dbraw/zinc/02/42/61/624024261.db2.gz ZXHFJMDDMCTEKP-AWEZNQCLSA-N 1 0 320.433 3.301 20 10 DGCDRO CC1([NH+]2CCCCC2)CCN(Cc2cc(F)ccc2O)CC1 ZINC000877794644 624036596 /nfs/dbraw/zinc/03/65/96/624036596.db2.gz OEISENVKZUQDPM-UHFFFAOYSA-N 1 0 306.425 3.372 20 10 DGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000877814140 624046341 /nfs/dbraw/zinc/04/63/41/624046341.db2.gz UGTFSTGNEYOTTC-LBPRGKRZSA-N 1 0 304.415 3.155 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H](C(F)(F)F)O1 ZINC000877824300 624056264 /nfs/dbraw/zinc/05/62/64/624056264.db2.gz QZMCXEYPRADATI-NOZJJQNGSA-N 1 0 307.287 3.073 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](O)c1ccccc1 ZINC000877832174 624061812 /nfs/dbraw/zinc/06/18/12/624061812.db2.gz HLBYRNAPMJARMY-AEFFLSMTSA-N 1 0 301.386 3.003 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1F ZINC000126885422 624162922 /nfs/dbraw/zinc/16/29/22/624162922.db2.gz GIWALDPTQJMAKO-SFHVURJKSA-N 1 0 316.420 3.447 20 10 DGCDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000782543087 624261838 /nfs/dbraw/zinc/26/18/38/624261838.db2.gz AWCHXHDMUZJYCJ-JTQLQIEISA-N 1 0 305.296 3.188 20 10 DGCDRO Oc1ccccc1C[N@H+](CC[C@@H]1CCOC1)Cc1ccco1 ZINC000783498971 624358993 /nfs/dbraw/zinc/35/89/93/624358993.db2.gz YNXBWPZGMIFVMI-OAHLLOKOSA-N 1 0 301.386 3.414 20 10 DGCDRO C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1O ZINC000783503113 624359371 /nfs/dbraw/zinc/35/93/71/624359371.db2.gz GQNWHHZELUSXGM-YOEHRIQHSA-N 1 0 312.413 3.262 20 10 DGCDRO COc1ccc(CC[NH2+][C@H](C)c2ccccc2O)c(OC)c1 ZINC000783508464 624360167 /nfs/dbraw/zinc/36/01/67/624360167.db2.gz KTVRFFIADDDSFE-CYBMUJFWSA-N 1 0 301.386 3.303 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c(O)c1 ZINC000783597384 624373173 /nfs/dbraw/zinc/37/31/73/624373173.db2.gz MOXKDEHUHGHHKC-INIZCTEOSA-N 1 0 312.413 3.251 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCS[C@@H]3C)CC2)cc1 ZINC000783609565 624374204 /nfs/dbraw/zinc/37/42/04/624374204.db2.gz YONGFBHTSSGGDQ-CXAGYDPISA-N 1 0 306.475 3.148 20 10 DGCDRO CCOC(=O)CC(C)(C)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000805748636 624376028 /nfs/dbraw/zinc/37/60/28/624376028.db2.gz PNFYFKKEVQMLLD-CYBMUJFWSA-N 1 0 323.433 3.421 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC=CO2)c1O ZINC000783704879 624385402 /nfs/dbraw/zinc/38/54/02/624385402.db2.gz JETLCAADTOVAHI-ZDUSSCGKSA-N 1 0 312.207 3.245 20 10 DGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc3c(cc1O)CCC3)CC2 ZINC000783979200 624415839 /nfs/dbraw/zinc/41/58/39/624415839.db2.gz CUBRRRCAPFPAEW-UHFFFAOYSA-N 1 0 323.436 3.490 20 10 DGCDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(OC)c1O)C2 ZINC000784625089 624560411 /nfs/dbraw/zinc/56/04/11/624560411.db2.gz VFYVLJLVYBELGE-MRXNPFEDSA-N 1 0 313.397 3.057 20 10 DGCDRO C[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1O ZINC000879648289 624621033 /nfs/dbraw/zinc/62/10/33/624621033.db2.gz IQRJSHRORDPNBH-HIFRSBDPSA-N 1 0 312.369 3.068 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccccc1O ZINC000879648511 624621171 /nfs/dbraw/zinc/62/11/71/624621171.db2.gz RRZVNLWXYBDNPS-FMKPAKJESA-N 1 0 304.434 3.080 20 10 DGCDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccccc1O ZINC000879648119 624621196 /nfs/dbraw/zinc/62/11/96/624621196.db2.gz ZAFJIQYJEYZTQL-BFYDXBDKSA-N 1 0 316.445 3.224 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)c1ccccc1O ZINC000879650066 624622603 /nfs/dbraw/zinc/62/26/03/624622603.db2.gz ZMQJLCVOWTUUQA-CABCVRRESA-N 1 0 324.424 3.016 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccccc1O ZINC000879649361 624622761 /nfs/dbraw/zinc/62/27/61/624622761.db2.gz RCRHSFVUAYXCAR-OLZOCXBDSA-N 1 0 321.804 3.136 20 10 DGCDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccccc1O ZINC000879648809 624622894 /nfs/dbraw/zinc/62/28/94/624622894.db2.gz AMGVNSHJOWKALF-SECBINFHSA-N 1 0 313.266 3.257 20 10 DGCDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC000879650027 624622941 /nfs/dbraw/zinc/62/29/41/624622941.db2.gz YCXMKQYROMGCIL-CHWSQXEVSA-N 1 0 316.376 3.059 20 10 DGCDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC000879650086 624623138 /nfs/dbraw/zinc/62/31/38/624623138.db2.gz ZZKLODPQNGQYRZ-GFCCVEGCSA-N 1 0 302.330 3.030 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1O ZINC000879651810 624624802 /nfs/dbraw/zinc/62/48/02/624624802.db2.gz LHVKVBWBSJJRPJ-KSSFIOAISA-N 1 0 324.424 3.237 20 10 DGCDRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1O ZINC000879653960 624626794 /nfs/dbraw/zinc/62/67/94/624626794.db2.gz ZAFJIQYJEYZTQL-ZOBUZTSGSA-N 1 0 316.445 3.224 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1(C)CCCC1 ZINC000787337401 625002615 /nfs/dbraw/zinc/00/26/15/625002615.db2.gz LGCKJPOZPDUQAW-UHFFFAOYSA-N 1 0 306.425 3.427 20 10 DGCDRO C[C@H]([NH2+]CCc1cncn1C)c1ccc(N2CCCCC2)cc1 ZINC000788257781 625105784 /nfs/dbraw/zinc/10/57/84/625105784.db2.gz QIQZAIQBCFBNBC-INIZCTEOSA-N 1 0 312.461 3.304 20 10 DGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1F ZINC000788510180 625203118 /nfs/dbraw/zinc/20/31/18/625203118.db2.gz WATIYKJEYSTZLS-UHFFFAOYSA-N 1 0 314.364 3.165 20 10 DGCDRO CC[NH+]1CCC(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790959078 625723443 /nfs/dbraw/zinc/72/34/43/625723443.db2.gz DUYUBEIZIJORKH-UHFFFAOYSA-N 1 0 300.805 3.006 20 10 DGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)cc1 ZINC000130364783 625843206 /nfs/dbraw/zinc/84/32/06/625843206.db2.gz VXWKNUJAXBEHHC-APWZRJJASA-N 1 0 312.457 3.397 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCCC1 ZINC000792194814 625923758 /nfs/dbraw/zinc/92/37/58/625923758.db2.gz HSCPORRWBILWRB-UHFFFAOYSA-N 1 0 322.424 3.105 20 10 DGCDRO CC[C@@](C)(CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796284537 626035079 /nfs/dbraw/zinc/03/50/79/626035079.db2.gz LLHKAFOPFBDIFR-NRFANRHFSA-N 1 0 324.468 3.500 20 10 DGCDRO COc1ccc(O)c(C[NH2+]C/C=C\c2ccc(F)c(F)c2)c1 ZINC000796306937 626036893 /nfs/dbraw/zinc/03/68/93/626036893.db2.gz GNSMEUDASCRWSX-IHWYPQMZSA-N 1 0 305.324 3.482 20 10 DGCDRO CCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)c(O)c1 ZINC000796481519 626054750 /nfs/dbraw/zinc/05/47/50/626054750.db2.gz IAAFTRJZQYVTDW-IFXJQAMLSA-N 1 0 315.413 3.311 20 10 DGCDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000796498809 626056609 /nfs/dbraw/zinc/05/66/09/626056609.db2.gz YDGGZXFYOMRKQJ-FUHWJXTLSA-N 1 0 302.462 3.439 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccccc1O ZINC000797132151 626116809 /nfs/dbraw/zinc/11/68/09/626116809.db2.gz KQPPVOSFQDDIGI-ASSNKEHSSA-N 1 0 303.427 3.122 20 10 DGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000798493820 626220855 /nfs/dbraw/zinc/22/08/55/626220855.db2.gz TXWPSLWCGZUWSP-IIAWOOMASA-N 1 0 305.418 3.086 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)CC2CCCC2)c1 ZINC000798503226 626221642 /nfs/dbraw/zinc/22/16/42/626221642.db2.gz DAMFOKLUFFAJNL-OAHLLOKOSA-N 1 0 307.434 3.069 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@H](CO)CC2CCCC2)c(O)c1 ZINC000798503029 626221697 /nfs/dbraw/zinc/22/16/97/626221697.db2.gz BGRCJZRZKWOHDK-OAHLLOKOSA-N 1 0 307.434 3.069 20 10 DGCDRO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000799151090 626275863 /nfs/dbraw/zinc/27/58/63/626275863.db2.gz TVPONLHHTHVPOK-GOSISDBHSA-N 1 0 311.429 3.342 20 10 DGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3cnccc3C)CC2)c1 ZINC000799155624 626276256 /nfs/dbraw/zinc/27/62/56/626276256.db2.gz XWXOHOXGNSPVDU-UHFFFAOYSA-N 1 0 311.429 3.035 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@H+](CC)[C@@H]2CCNC2=O)cc1 ZINC000799737895 626326430 /nfs/dbraw/zinc/32/64/30/626326430.db2.gz QBSWSLHNWREMKC-GOSISDBHSA-N 1 0 317.477 3.023 20 10 DGCDRO Cc1cc(F)cc2c1C[N@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000799950300 626337653 /nfs/dbraw/zinc/33/76/53/626337653.db2.gz KWWIAWIDGOKKKJ-UHFFFAOYSA-N 1 0 315.344 3.127 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)c(O)c1C ZINC000800501154 626365399 /nfs/dbraw/zinc/36/53/99/626365399.db2.gz YFKNRCHIFAKLSJ-ZDUSSCGKSA-N 1 0 302.422 3.206 20 10 DGCDRO COc1cccc(C[N@@H+]2CCc3cc(F)cc(C)c3C2)c1O ZINC000800535478 626366763 /nfs/dbraw/zinc/36/67/63/626366763.db2.gz CPPVZRVENJEIDI-UHFFFAOYSA-N 1 0 301.361 3.407 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000800968477 626387183 /nfs/dbraw/zinc/38/71/83/626387183.db2.gz OUARFKQFNUVGHX-OALUTQOASA-N 1 0 300.446 3.192 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000801601178 626411788 /nfs/dbraw/zinc/41/17/88/626411788.db2.gz ZDIUTJPGGNURKQ-UHFFFAOYSA-N 1 0 313.401 3.335 20 10 DGCDRO FC1(F)CCC[C@@H]1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000883267027 626629963 /nfs/dbraw/zinc/62/99/63/626629963.db2.gz QXTOEYNFEGKMOZ-MRXNPFEDSA-N 1 0 324.415 3.438 20 10 DGCDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000883272036 626631010 /nfs/dbraw/zinc/63/10/10/626631010.db2.gz BWOFILFBBHQGRZ-CKYFFXLPSA-N 1 0 314.223 3.230 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000883288426 626637649 /nfs/dbraw/zinc/63/76/49/626637649.db2.gz DWKGCJUMOSVFFN-HNNXBMFYSA-N 1 0 315.486 3.351 20 10 DGCDRO C[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)OCCc2ccccc21 ZINC000883341690 626653849 /nfs/dbraw/zinc/65/38/49/626653849.db2.gz XRMBXODZHOHENJ-FXAWDEMLSA-N 1 0 309.409 3.457 20 10 DGCDRO Cc1ncc([C@@H](C)[NH2+]CCCSc2nccs2)c(C)n1 ZINC000132208406 626707867 /nfs/dbraw/zinc/70/78/67/626707867.db2.gz UVIHDXVFQFBSJV-SNVBAGLBSA-N 1 0 308.476 3.383 20 10 DGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843126773 626717328 /nfs/dbraw/zinc/71/73/28/626717328.db2.gz NCYANDFXLRLVGC-UHFFFAOYSA-N 1 0 315.244 3.275 20 10 DGCDRO Cc1cc(Br)c([O-])c(C[NH2+]CCCCCC[NH3+])c1 ZINC000843127801 626718396 /nfs/dbraw/zinc/71/83/96/626718396.db2.gz QSDZVIDKXFZRBH-UHFFFAOYSA-N 1 0 315.255 3.072 20 10 DGCDRO C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000807274342 626752513 /nfs/dbraw/zinc/75/25/13/626752513.db2.gz OIUZLYVYKQEVPK-MAUKXSAKSA-N 1 0 317.477 3.194 20 10 DGCDRO CC[C@@H]1CCC[C@]1(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010747 626788863 /nfs/dbraw/zinc/78/88/63/626788863.db2.gz KVPWUWRBAMTBAW-SUMDDJOVSA-N 1 0 317.477 3.085 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](OC)[C@@H](C)C3)c2c1 ZINC000840127672 626790272 /nfs/dbraw/zinc/79/02/72/626790272.db2.gz TXNRUTFDYMFGIM-ORAYPTAESA-N 1 0 315.413 3.411 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)c2c1 ZINC000840127670 626790303 /nfs/dbraw/zinc/79/03/03/626790303.db2.gz TXNRUTFDYMFGIM-DJJJIMSYSA-N 1 0 315.413 3.411 20 10 DGCDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000808430982 626823695 /nfs/dbraw/zinc/82/36/95/626823695.db2.gz NAKUICGWOFLDSA-INIZCTEOSA-N 1 0 317.816 3.141 20 10 DGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000808431354 626823744 /nfs/dbraw/zinc/82/37/44/626823744.db2.gz RKBYRSLCVROLKC-MRXNPFEDSA-N 1 0 318.848 3.272 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1O ZINC000840141464 626837884 /nfs/dbraw/zinc/83/78/84/626837884.db2.gz BYSINTHHSFHQQS-KRWDZBQOSA-N 1 0 307.459 3.428 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1O ZINC000808679315 626848675 /nfs/dbraw/zinc/84/86/75/626848675.db2.gz KSFNYWHHWBNIRS-NWDGAFQWSA-N 1 0 310.825 3.016 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000808684428 626849252 /nfs/dbraw/zinc/84/92/52/626849252.db2.gz NVOXLMUEQPEZSH-MNOVXSKESA-N 1 0 312.841 3.308 20 10 DGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808702203 626851218 /nfs/dbraw/zinc/85/12/18/626851218.db2.gz CPPIMRDUHSCWAZ-WCQYABFASA-N 1 0 310.825 3.016 20 10 DGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O ZINC000808706552 626851595 /nfs/dbraw/zinc/85/15/95/626851595.db2.gz MRSOKLBOHNJPGW-GVAXYQGFSA-N 1 0 322.836 3.014 20 10 DGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1O ZINC000808707528 626851876 /nfs/dbraw/zinc/85/18/76/626851876.db2.gz RHGMIQDQNVIJDE-YPMHNXCESA-N 1 0 310.825 3.014 20 10 DGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808714000 626853255 /nfs/dbraw/zinc/85/32/55/626853255.db2.gz LHXRQHLHHWJTNS-KCPJHIHWSA-N 1 0 313.825 3.199 20 10 DGCDRO C[C@@H](O)c1ncc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000809642268 626931769 /nfs/dbraw/zinc/93/17/69/626931769.db2.gz FVCRLENKERCOFV-NWDGAFQWSA-N 1 0 305.447 3.113 20 10 DGCDRO C[N@H+](CCCCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809651893 626933159 /nfs/dbraw/zinc/93/31/59/626933159.db2.gz CAAOSDACIWIBBB-UHFFFAOYSA-N 1 0 324.468 3.454 20 10 DGCDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809701403 626938696 /nfs/dbraw/zinc/93/86/96/626938696.db2.gz XMGSSYZFWYQRKE-ZBFHGGJFSA-N 1 0 308.441 3.407 20 10 DGCDRO Cc1ccc(O)c(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)c1 ZINC000809715143 626940714 /nfs/dbraw/zinc/94/07/14/626940714.db2.gz ZFEYAECBKVECJT-UHFFFAOYSA-N 1 0 318.461 3.314 20 10 DGCDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809718794 626940932 /nfs/dbraw/zinc/94/09/32/626940932.db2.gz YPFNVMSXBYRJHA-AWEZNQCLSA-N 1 0 321.421 3.052 20 10 DGCDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000809722552 626941981 /nfs/dbraw/zinc/94/19/81/626941981.db2.gz BQCWKCHJPGHARQ-INIZCTEOSA-N 1 0 320.433 3.143 20 10 DGCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000809726201 626942007 /nfs/dbraw/zinc/94/20/07/626942007.db2.gz LERQYQPDGMBJJF-INIZCTEOSA-N 1 0 320.433 3.191 20 10 DGCDRO COC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)c1 ZINC000809730600 626942513 /nfs/dbraw/zinc/94/25/13/626942513.db2.gz UUDCWWWCZFNDTM-UHFFFAOYSA-N 1 0 319.788 3.430 20 10 DGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000809732787 626943266 /nfs/dbraw/zinc/94/32/66/626943266.db2.gz KAEBAKGTDPIJLP-UHFFFAOYSA-N 1 0 319.788 3.430 20 10 DGCDRO CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809735665 626943397 /nfs/dbraw/zinc/94/33/97/626943397.db2.gz NXBAMZVBVXGOFB-NSHDSACASA-N 1 0 300.805 3.005 20 10 DGCDRO CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809735664 626943618 /nfs/dbraw/zinc/94/36/18/626943618.db2.gz NXBAMZVBVXGOFB-LLVKDONJSA-N 1 0 300.805 3.005 20 10 DGCDRO CN(C)CC[N@H+](CCCc1ccccc1)Cc1ccccc1O ZINC000809737262 626943676 /nfs/dbraw/zinc/94/36/76/626943676.db2.gz SSDYCXBKJOVBHY-UHFFFAOYSA-N 1 0 312.457 3.389 20 10 DGCDRO COc1cccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1O ZINC000809739774 626944226 /nfs/dbraw/zinc/94/42/26/626944226.db2.gz DVSPDLCYLRIBIT-YVMONPNESA-N 1 0 314.341 3.112 20 10 DGCDRO COc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2C)c1O ZINC000809740176 626944240 /nfs/dbraw/zinc/94/42/40/626944240.db2.gz NRVWATYNCMCILJ-UHFFFAOYSA-N 1 0 317.385 3.016 20 10 DGCDRO C[NH+](C)CCN(Cc1ccccc1O)Cc1ccc(F)cc1F ZINC000809738078 626944485 /nfs/dbraw/zinc/94/44/85/626944485.db2.gz ROQPUGQWCWKGRX-UHFFFAOYSA-N 1 0 320.383 3.234 20 10 DGCDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000809755366 626947524 /nfs/dbraw/zinc/94/75/24/626947524.db2.gz PSWXPEXPVXWEPX-UHFFFAOYSA-N 1 0 301.478 3.203 20 10 DGCDRO CC1(C)C([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000809756721 626947542 /nfs/dbraw/zinc/94/75/42/626947542.db2.gz WVEHXHUBIOXRSQ-UHFFFAOYSA-N 1 0 306.425 3.187 20 10 DGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1 ZINC000809785053 626952332 /nfs/dbraw/zinc/95/23/32/626952332.db2.gz NESAVINDTVIAOC-QGZVFWFLSA-N 1 0 317.477 3.010 20 10 DGCDRO Cc1cc(O)c(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1C(C)C ZINC000840187659 626958484 /nfs/dbraw/zinc/95/84/84/626958484.db2.gz WDFDKKSAGCYZIR-INIZCTEOSA-N 1 0 318.461 3.313 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000810051605 626972366 /nfs/dbraw/zinc/97/23/66/626972366.db2.gz MCHTZLGWWJPNJA-FQEVSTJZSA-N 1 0 321.468 3.390 20 10 DGCDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1C ZINC000810165607 626983386 /nfs/dbraw/zinc/98/33/86/626983386.db2.gz XCQBHISVEHDIET-ICSRJNTNSA-N 1 0 311.425 3.259 20 10 DGCDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1C ZINC000810165609 626983585 /nfs/dbraw/zinc/98/35/85/626983585.db2.gz XCQBHISVEHDIET-UYAOXDASSA-N 1 0 311.425 3.259 20 10 DGCDRO CC[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810212413 626988186 /nfs/dbraw/zinc/98/81/86/626988186.db2.gz ARLVHNAXJOOXBY-ZDUSSCGKSA-N 1 0 313.323 3.385 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810213167 626988679 /nfs/dbraw/zinc/98/86/79/626988679.db2.gz NQUUNVPOIGNUQB-MFKMUULPSA-N 1 0 303.324 3.488 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ncccc2N(C)C)cc1 ZINC000810246592 626992536 /nfs/dbraw/zinc/99/25/36/626992536.db2.gz FBRZYFINVALROQ-HNNXBMFYSA-N 1 0 312.461 3.455 20 10 DGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2C[C@@]23CCOC3)cc1 ZINC000885940448 627065192 /nfs/dbraw/zinc/06/51/92/627065192.db2.gz JQTKFQZTZMLXTE-PKOBYXMFSA-N 1 0 302.462 3.391 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(C)co3)C2)cc1 ZINC000886149100 627112739 /nfs/dbraw/zinc/11/27/39/627112739.db2.gz GERRSOIQEUPDCN-OAHLLOKOSA-N 1 0 300.402 3.213 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ncco3)CC2)cc1 ZINC000886272589 627128939 /nfs/dbraw/zinc/12/89/39/627128939.db2.gz VLFXAXGUNFZDSE-CYBMUJFWSA-N 1 0 301.390 3.003 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1O ZINC000886318015 627136101 /nfs/dbraw/zinc/13/61/01/627136101.db2.gz HLPYDXRSSBGYJX-HNNXBMFYSA-N 1 0 305.418 3.230 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cc1C ZINC000886338258 627139664 /nfs/dbraw/zinc/13/96/64/627139664.db2.gz IXRFSYWWYUQZMS-WXSAJPJJSA-N 1 0 319.445 3.071 20 10 DGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cnn(C)c1 ZINC000886518619 627155493 /nfs/dbraw/zinc/15/54/93/627155493.db2.gz AKLLQXYDCIDSNU-KRWDZBQOSA-N 1 0 304.413 3.112 20 10 DGCDRO C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1c([O-])cccc1F ZINC000886548266 627160806 /nfs/dbraw/zinc/16/08/06/627160806.db2.gz ZTWKNQGPTHKFPL-KFWWJZLASA-N 1 0 324.440 3.071 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c(O)c1C ZINC000886676370 627187493 /nfs/dbraw/zinc/18/74/93/627187493.db2.gz GIMXWRALUSKWBX-YOEHRIQHSA-N 1 0 317.404 3.402 20 10 DGCDRO CCC[C@@H](CC)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749373 627198984 /nfs/dbraw/zinc/19/89/84/627198984.db2.gz RDVPTILMVFZGJX-QGZVFWFLSA-N 1 0 317.477 3.057 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(N(C)C)cc1 ZINC000886761978 627200593 /nfs/dbraw/zinc/20/05/93/627200593.db2.gz OJPOHXDGMJDQBL-LVFSCSRESA-N 1 0 318.461 3.130 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c(O)c1C ZINC000886764202 627201586 /nfs/dbraw/zinc/20/15/86/627201586.db2.gz NLNDPXAOIVLZQT-FVQSIRDASA-N 1 0 319.445 3.386 20 10 DGCDRO CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCOC1)c1ccc(C)cc1O ZINC000886788447 627204516 /nfs/dbraw/zinc/20/45/16/627204516.db2.gz BXNUJJSKMFJGCF-PVAVHDDUSA-N 1 0 307.434 3.183 20 10 DGCDRO CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCOC1)c1ccc(C)cc1O ZINC000886788448 627204603 /nfs/dbraw/zinc/20/46/03/627204603.db2.gz BXNUJJSKMFJGCF-XIRDDKMYSA-N 1 0 307.434 3.183 20 10 DGCDRO CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCOC1)c1ccc(C)cc1O ZINC000886788446 627204610 /nfs/dbraw/zinc/20/46/10/627204610.db2.gz BXNUJJSKMFJGCF-HYVNUMGLSA-N 1 0 307.434 3.183 20 10 DGCDRO COc1cccc(C2(C[NH2+]Cc3cc(OC)ccc3O)CC2)c1 ZINC000811510016 627284288 /nfs/dbraw/zinc/28/42/88/627284288.db2.gz QHMDWTFGASYVKK-UHFFFAOYSA-N 1 0 313.397 3.231 20 10 DGCDRO COCC[C@H]1COCC[N@@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000812302385 627368866 /nfs/dbraw/zinc/36/88/66/627368866.db2.gz WNKKIANIRQHMRS-INIZCTEOSA-N 1 0 321.461 3.235 20 10 DGCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000812756049 627417742 /nfs/dbraw/zinc/41/77/42/627417742.db2.gz HYAMOYVDGWLYDO-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2cnccc2C)c1 ZINC000813330628 627478398 /nfs/dbraw/zinc/47/83/98/627478398.db2.gz BHDOXRRRSGXACN-AWEZNQCLSA-N 1 0 300.402 3.388 20 10 DGCDRO CCc1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000813331506 627478810 /nfs/dbraw/zinc/47/88/10/627478810.db2.gz QDKBJHSZQYZWDW-JTQLQIEISA-N 1 0 323.824 3.201 20 10 DGCDRO Fc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000813792256 627512251 /nfs/dbraw/zinc/51/22/51/627512251.db2.gz UILHTUXVPIGZNE-MRXNPFEDSA-N 1 0 312.388 3.129 20 10 DGCDRO C[C@@]12CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]1C2(F)F ZINC000814169628 627545893 /nfs/dbraw/zinc/54/58/93/627545893.db2.gz KZRFWRDGUICXDD-DLBZAZTESA-N 1 0 322.399 3.000 20 10 DGCDRO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)o1 ZINC000815030632 627617756 /nfs/dbraw/zinc/61/77/56/627617756.db2.gz PZUOADQXCCXRSP-INIZCTEOSA-N 1 0 314.433 3.132 20 10 DGCDRO Cc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815059633 627620798 /nfs/dbraw/zinc/62/07/98/627620798.db2.gz YROVPNPACIJMHZ-INIZCTEOSA-N 1 0 318.461 3.225 20 10 DGCDRO Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1N(C)C ZINC000815074238 627622901 /nfs/dbraw/zinc/62/29/01/627622901.db2.gz MVFNTLLAMBDPJY-ZWKOTPCHSA-N 1 0 302.462 3.310 20 10 DGCDRO Cc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1N(C)C ZINC000815118518 627629704 /nfs/dbraw/zinc/62/97/04/627629704.db2.gz WLGSIQPCIATWAS-FUHWJXTLSA-N 1 0 301.478 3.120 20 10 DGCDRO Cc1cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)ccc1N(C)C ZINC000815121236 627630914 /nfs/dbraw/zinc/63/09/14/627630914.db2.gz SZCVGAYQQUMKFZ-SFHVURJKSA-N 1 0 302.462 3.310 20 10 DGCDRO COc1ccc(F)c(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000815124468 627631575 /nfs/dbraw/zinc/63/15/75/627631575.db2.gz ACEMAYYYFFPCFG-UHFFFAOYSA-N 1 0 302.393 3.499 20 10 DGCDRO C[C@H](F)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000815148796 627637304 /nfs/dbraw/zinc/63/73/04/627637304.db2.gz KOMXINJXMKJVRA-ZDUSSCGKSA-N 1 0 309.385 3.423 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c(O)c1 ZINC000815558408 627685077 /nfs/dbraw/zinc/68/50/77/627685077.db2.gz BVZWVCUVFUOMEC-HNNXBMFYSA-N 1 0 313.445 3.435 20 10 DGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c(O)c1 ZINC000815627917 627693074 /nfs/dbraw/zinc/69/30/74/627693074.db2.gz NGSYGPGKEQTVDA-AWEZNQCLSA-N 1 0 313.445 3.472 20 10 DGCDRO Cc1nccnc1CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815651064 627694778 /nfs/dbraw/zinc/69/47/78/627694778.db2.gz JCAPRSXHFWRGGE-QMTHXVAHSA-N 1 0 301.365 3.010 20 10 DGCDRO C[C@H]([NH3+])[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000925544461 627751412 /nfs/dbraw/zinc/75/14/12/627751412.db2.gz RVYNBWFXMUQRQK-JXFKEZNVSA-N 1 0 309.457 3.465 20 10 DGCDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816498751 627797489 /nfs/dbraw/zinc/79/74/89/627797489.db2.gz KMGXJXXNFSBBIJ-AWEZNQCLSA-N 1 0 312.413 3.023 20 10 DGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000816514724 627799801 /nfs/dbraw/zinc/79/98/01/627799801.db2.gz FXVVOTZUBYVTHP-IAQYHMDHSA-N 1 0 314.832 3.347 20 10 DGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816514725 627800032 /nfs/dbraw/zinc/80/00/32/627800032.db2.gz FXVVOTZUBYVTHP-NHYWBVRUSA-N 1 0 314.832 3.347 20 10 DGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c(F)cc1[O-] ZINC000816520544 627801392 /nfs/dbraw/zinc/80/13/92/627801392.db2.gz RQZCGUDNMYJZGG-OLZOCXBDSA-N 1 0 312.816 3.243 20 10 DGCDRO C[C@H]([NH2+]Cc1ccc2ccccc2c1O)c1nnc2ccccn21 ZINC000816531258 627803399 /nfs/dbraw/zinc/80/33/99/627803399.db2.gz LLWGLIRMLGALGQ-ZDUSSCGKSA-N 1 0 318.380 3.439 20 10 DGCDRO Oc1c(C[NH2+]C[C@H]2COc3ccccc3O2)ccc2ccccc21 ZINC000816531450 627803642 /nfs/dbraw/zinc/80/36/42/627803642.db2.gz SBTFQLQLWKSUPE-INIZCTEOSA-N 1 0 321.376 3.475 20 10 DGCDRO O=C(C[NH2+]Cc1ccc2ccccc2c1O)NC1CCCCC1 ZINC000816546885 627804730 /nfs/dbraw/zinc/80/47/30/627804730.db2.gz AAGSAJXNNTWBPC-UHFFFAOYSA-N 1 0 312.413 3.084 20 10 DGCDRO Oc1c(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)ccc2ccccc21 ZINC000816544702 627805270 /nfs/dbraw/zinc/80/52/70/627805270.db2.gz QANKVJAASTXKPE-CQSZACIVSA-N 1 0 324.346 3.272 20 10 DGCDRO CN(C)[C@@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCSC1 ZINC000816555502 627806876 /nfs/dbraw/zinc/80/68/76/627806876.db2.gz HMRWGDULZAMUJC-GOSISDBHSA-N 1 0 316.470 3.072 20 10 DGCDRO Oc1c(C[NH2+]C[C@@]2(O)CCc3ccccc32)ccc2ccccc21 ZINC000816558192 627807261 /nfs/dbraw/zinc/80/72/61/627807261.db2.gz QBZHFSCSXWMZJV-NRFANRHFSA-N 1 0 319.404 3.469 20 10 DGCDRO COC(=O)C1(C[NH2+]Cc2ccc3ccccc3c2O)CCCC1 ZINC000816567461 627808992 /nfs/dbraw/zinc/80/89/92/627808992.db2.gz BDSWTDHGLPSEQT-UHFFFAOYSA-N 1 0 313.397 3.368 20 10 DGCDRO CCOC(=O)C1(C[NH2+]Cc2ccc3ccccc3c2O)CCC1 ZINC000816568039 627809035 /nfs/dbraw/zinc/80/90/35/627809035.db2.gz UVSUNKISLSCVKB-UHFFFAOYSA-N 1 0 313.397 3.368 20 10 DGCDRO CCOc1ccc(CN2CC[N@H+](C)Cc3ccccc32)c(O)c1 ZINC000816618462 627815198 /nfs/dbraw/zinc/81/51/98/627815198.db2.gz YKEXIVBQHRKJFY-UHFFFAOYSA-N 1 0 312.413 3.243 20 10 DGCDRO CCOCC(C)(C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000816639359 627818345 /nfs/dbraw/zinc/81/83/45/627818345.db2.gz PJOIUADHFHYDTE-UHFFFAOYSA-N 1 0 316.239 3.368 20 10 DGCDRO COc1ccc2ccc(O)c(C[N@H+](C)C[C@H]3CCCN3C)c2c1 ZINC000817372902 627891079 /nfs/dbraw/zinc/89/10/79/627891079.db2.gz LHCKPRVVICDODD-OAHLLOKOSA-N 1 0 314.429 3.080 20 10 DGCDRO OC1(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000817414341 627896465 /nfs/dbraw/zinc/89/64/65/627896465.db2.gz HUROAOBWYDCJSY-UHFFFAOYSA-N 1 0 302.462 3.462 20 10 DGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1O ZINC000817418645 627897801 /nfs/dbraw/zinc/89/78/01/627897801.db2.gz AQGAEDGLVCKFIY-GFCCVEGCSA-N 1 0 313.825 3.039 20 10 DGCDRO COC1([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)CCOCC1 ZINC000817587665 627926988 /nfs/dbraw/zinc/92/69/88/627926988.db2.gz HDCVZRPLRYVVJW-NEPJUHHUSA-N 1 0 313.825 3.280 20 10 DGCDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)CC1=O ZINC000817588457 627927351 /nfs/dbraw/zinc/92/73/51/627927351.db2.gz FTCFHXWGJRISDB-JKSUJKDBSA-N 1 0 317.477 3.052 20 10 DGCDRO CC[C@H](C[C@@](C)(O)CC)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000926680253 627931966 /nfs/dbraw/zinc/93/19/66/627931966.db2.gz LGGXNFSDSSFFTQ-GJYPPUQNSA-N 1 0 320.477 3.193 20 10 DGCDRO C[C@H](Cc1cccs1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817939069 627967218 /nfs/dbraw/zinc/96/72/18/627967218.db2.gz YLZMUOQPXMPCND-DYVFJYSZSA-N 1 0 303.475 3.035 20 10 DGCDRO Cc1cc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)o1 ZINC000817939216 627967393 /nfs/dbraw/zinc/96/73/93/627967393.db2.gz AMMIEAOHFFGXKI-UGSOOPFHSA-N 1 0 301.434 3.313 20 10 DGCDRO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938954 627967831 /nfs/dbraw/zinc/96/78/31/627967831.db2.gz WFFPNQSMCIZVLV-CZUORRHYSA-N 1 0 303.475 3.473 20 10 DGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1Cl ZINC000817941941 627968446 /nfs/dbraw/zinc/96/84/46/627968446.db2.gz LUNGQRWIAAOAGU-WBMJQRKESA-N 1 0 318.852 3.152 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H](C2CC2)C2CCCC2)cc1 ZINC000817940873 627968542 /nfs/dbraw/zinc/96/85/42/627968542.db2.gz LTNCDPAEQNGLAX-OALUTQOASA-N 1 0 301.478 3.311 20 10 DGCDRO C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817943156 627969348 /nfs/dbraw/zinc/96/93/48/627969348.db2.gz JOMUZDMXWBWWPV-LBPRGKRZSA-N 1 0 307.394 3.003 20 10 DGCDRO C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817946573 627970768 /nfs/dbraw/zinc/97/07/68/627970768.db2.gz ZWSKCESMLDWQRJ-UWVGGRQHSA-N 1 0 303.233 3.349 20 10 DGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817948099 627971331 /nfs/dbraw/zinc/97/13/31/627971331.db2.gz VETXXUYJDWRKRF-SDDRHHMPSA-N 1 0 316.367 3.450 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817954827 627973676 /nfs/dbraw/zinc/97/36/76/627973676.db2.gz KVMUXBJIKFOINV-QWRGUYRKSA-N 1 0 302.340 3.061 20 10 DGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Br)nc1 ZINC000817956972 627973887 /nfs/dbraw/zinc/97/38/87/627973887.db2.gz GRMNKZZSWVGUQK-NSHDSACASA-N 1 0 320.234 3.320 20 10 DGCDRO C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955131 627974290 /nfs/dbraw/zinc/97/42/90/627974290.db2.gz QTMQFUJSTOSYKQ-UWVGGRQHSA-N 1 0 303.233 3.349 20 10 DGCDRO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817957862 627974915 /nfs/dbraw/zinc/97/49/15/627974915.db2.gz PZYCOVLFKFHBMK-AEFFLSMTSA-N 1 0 318.461 3.303 20 10 DGCDRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2ccc(N)cc2)s1 ZINC000817958821 627975008 /nfs/dbraw/zinc/97/50/08/627975008.db2.gz YUIKBXROIBHRGW-LBPRGKRZSA-N 1 0 319.474 3.116 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC000926904085 627975151 /nfs/dbraw/zinc/97/51/51/627975151.db2.gz DODWSEYZSMIHAV-OUCADQQQSA-N 1 0 315.335 3.469 20 10 DGCDRO C[C@@H](NCC1([NH3+])CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817964595 627976879 /nfs/dbraw/zinc/97/68/79/627976879.db2.gz FNHQOAHHWDGMKF-CQSZACIVSA-N 1 0 305.441 3.348 20 10 DGCDRO C[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817965610 627977782 /nfs/dbraw/zinc/97/77/82/627977782.db2.gz SCYGDSOZGTYXLM-CXAGYDPISA-N 1 0 305.441 3.204 20 10 DGCDRO C[C@H](NC[C@@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817965614 627977950 /nfs/dbraw/zinc/97/79/50/627977950.db2.gz SCYGDSOZGTYXLM-SUMWQHHRSA-N 1 0 305.441 3.204 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817971803 627980061 /nfs/dbraw/zinc/98/00/61/627980061.db2.gz QDQJFYTXGFMRHY-BBBLOLIVSA-N 1 0 303.233 3.490 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1[O-] ZINC000817976523 627981152 /nfs/dbraw/zinc/98/11/52/627981152.db2.gz NAQIJCQFDSMEIO-ZWNOBZJWSA-N 1 0 314.351 3.204 20 10 DGCDRO C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817977933 627981586 /nfs/dbraw/zinc/98/15/86/627981586.db2.gz RSJUTCAHTCRBAE-RKDXNWHRSA-N 1 0 319.218 3.072 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(Cl)c1[O-] ZINC000817987341 627984094 /nfs/dbraw/zinc/98/40/94/627984094.db2.gz SUUWCANCBHPJEL-IATRGZMQSA-N 1 0 308.853 3.474 20 10 DGCDRO C[NH2+]CCCN(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000818015499 627987292 /nfs/dbraw/zinc/98/72/92/627987292.db2.gz YFPIJADBVHXSAO-UHFFFAOYSA-N 1 0 313.445 3.084 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c1 ZINC000926966238 627990610 /nfs/dbraw/zinc/99/06/10/627990610.db2.gz ZILJZUKALZMCBV-FZMZJTMJSA-N 1 0 304.356 3.234 20 10 DGCDRO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(C)cc1O ZINC000927017072 627998094 /nfs/dbraw/zinc/99/80/94/627998094.db2.gz VQGHJCUBEKIFAK-WBVHZDCISA-N 1 0 319.445 3.470 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(C)cc1O ZINC000927017066 627998176 /nfs/dbraw/zinc/99/81/76/627998176.db2.gz VQGHJCUBEKIFAK-DOTOQJQBSA-N 1 0 319.445 3.470 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c2c1c(F)ccc2O ZINC000927059555 628005028 /nfs/dbraw/zinc/00/50/28/628005028.db2.gz DIBFOXNHKSHOQJ-KVOBGNBSSA-N 1 0 321.392 3.352 20 10 DGCDRO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000927086364 628011029 /nfs/dbraw/zinc/01/10/29/628011029.db2.gz SOOVEEIXCSASSL-QFBILLFUSA-N 1 0 318.461 3.133 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)Cc3ccoc3)C2)cc1 ZINC000818341909 628015899 /nfs/dbraw/zinc/01/58/99/628015899.db2.gz IVSVVJJJZQCSGI-DOTOQJQBSA-N 1 0 314.429 3.335 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccccn3)C2)cc1 ZINC000818342165 628015952 /nfs/dbraw/zinc/01/59/52/628015952.db2.gz MTNOLWYJYDTTHG-JKSUJKDBSA-N 1 0 311.429 3.267 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc3c(s2)COCC3)c(O)c1 ZINC000927121676 628020840 /nfs/dbraw/zinc/02/08/40/628020840.db2.gz NXKPMZHLUWAHDX-LLVKDONJSA-N 1 0 304.415 3.081 20 10 DGCDRO C[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1cc(Cl)ccc1O ZINC000927122360 628021421 /nfs/dbraw/zinc/02/14/21/628021421.db2.gz UWMQNDXMLMZCMJ-SECBINFHSA-N 1 0 324.833 3.426 20 10 DGCDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cc(F)ccc1O ZINC000927139964 628024797 /nfs/dbraw/zinc/02/47/97/628024797.db2.gz PGTDINPANLASTM-AFBMGJRZSA-N 1 0 301.361 3.230 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c1 ZINC000927154782 628027326 /nfs/dbraw/zinc/02/73/26/628027326.db2.gz DHBFSCPZILUCBX-RIFZZMRRSA-N 1 0 311.425 3.444 20 10 DGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)CCC(C)C)CC2)cc1 ZINC000819001767 628076000 /nfs/dbraw/zinc/07/60/00/628076000.db2.gz DURKMRJQDLUCEA-GOSISDBHSA-N 1 0 320.477 3.051 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1ccc(F)cc1C ZINC000819077482 628087799 /nfs/dbraw/zinc/08/77/99/628087799.db2.gz MAGQMDASXPSSHZ-IBGZPJMESA-N 1 0 316.420 3.332 20 10 DGCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)C3CC3)cc2Cl)C1 ZINC000819290785 628127884 /nfs/dbraw/zinc/12/78/84/628127884.db2.gz MHXMYVLCGQSGBV-FZKQIMNGSA-N 1 0 322.880 3.437 20 10 DGCDRO CCc1cc(NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cc[nH+]1 ZINC000819934577 628201458 /nfs/dbraw/zinc/20/14/58/628201458.db2.gz LBCBEUWZYPVDJE-HNNXBMFYSA-N 1 0 311.429 3.013 20 10 DGCDRO CCc1cc(NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc[nH+]1 ZINC000819934578 628201487 /nfs/dbraw/zinc/20/14/87/628201487.db2.gz LBCBEUWZYPVDJE-OAHLLOKOSA-N 1 0 311.429 3.013 20 10 DGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CC(OC(C)C)C3)C2)cc1 ZINC000822494528 628457883 /nfs/dbraw/zinc/45/78/83/628457883.db2.gz QVEYMKWSQFECHQ-LYGPFTKASA-N 1 0 318.461 3.067 20 10 DGCDRO C[N@H+](Cc1c(O)cccc1Cl)C[C@@](C)(O)c1ccccc1 ZINC000822515973 628459985 /nfs/dbraw/zinc/45/99/85/628459985.db2.gz GOQTXUTWZNBRFU-QGZVFWFLSA-N 1 0 305.805 3.385 20 10 DGCDRO Oc1ccc(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529821 628462079 /nfs/dbraw/zinc/46/20/79/628462079.db2.gz JTJTTZLJUSHRGD-KRWDZBQOSA-N 1 0 305.393 3.312 20 10 DGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1OC ZINC000822539031 628462618 /nfs/dbraw/zinc/46/26/18/628462618.db2.gz DOLXDIRESNRTSJ-DZGCQCFKSA-N 1 0 305.418 3.468 20 10 DGCDRO COCC[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823395285 628556290 /nfs/dbraw/zinc/55/62/90/628556290.db2.gz RUWGVECLIFSYPQ-UHFFFAOYSA-N 1 0 304.459 3.463 20 10 DGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C[C@H](C)O1 ZINC000823671700 628585876 /nfs/dbraw/zinc/58/58/76/628585876.db2.gz SSMFALITTLYYAI-SCAQPMJSSA-N 1 0 320.502 3.285 20 10 DGCDRO O=C1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CN1C1CCCCC1 ZINC000824153218 628631920 /nfs/dbraw/zinc/63/19/20/628631920.db2.gz DKLBPKFPGKHYRS-GFCCVEGCSA-N 1 0 322.836 3.069 20 10 DGCDRO CN(C)c1ccc(C[N@H+](C)Cc2c(C3CCC3)cnn2C)cc1 ZINC000824474826 628663955 /nfs/dbraw/zinc/66/39/55/628663955.db2.gz UIFJSYWHZXCXEB-UHFFFAOYSA-N 1 0 312.461 3.386 20 10 DGCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC000824593970 628675436 /nfs/dbraw/zinc/67/54/36/628675436.db2.gz WKPLFHUXICDAEC-GFCCVEGCSA-N 1 0 321.808 3.425 20 10 DGCDRO Cc1cc(O)c(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000824597657 628675792 /nfs/dbraw/zinc/67/57/92/628675792.db2.gz UBLOOAQFWKPONC-HNNXBMFYSA-N 1 0 308.853 3.414 20 10 DGCDRO Cc1cc(O)c(C[NH+]2CCC(n3ccnc3)CC2)cc1Cl ZINC000824639432 628679485 /nfs/dbraw/zinc/67/94/85/628679485.db2.gz LLODMCGZEKOFIG-UHFFFAOYSA-N 1 0 305.809 3.388 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000824643913 628679903 /nfs/dbraw/zinc/67/99/03/628679903.db2.gz LZYMVCFFVSJKSN-KGLIPLIRSA-N 1 0 322.449 3.400 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1F ZINC000824715098 628686564 /nfs/dbraw/zinc/68/65/64/628686564.db2.gz HQNLEOBRZORQCM-LESCRADOSA-N 1 0 306.425 3.017 20 10 DGCDRO CCC[N@H+](Cc1ccc(Br)cc1O)CC(C)(C)O ZINC000824714902 628686587 /nfs/dbraw/zinc/68/65/87/628686587.db2.gz WMNHXEXCOKCYML-UHFFFAOYSA-N 1 0 316.239 3.138 20 10 DGCDRO COc1cccc(C[NH2+]C[C@](C)(OC)c2ccccc2)c1O ZINC000824780476 628692855 /nfs/dbraw/zinc/69/28/55/628692855.db2.gz QDCOJXWDKYGQGC-SFHVURJKSA-N 1 0 301.386 3.052 20 10 DGCDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000824798612 628694628 /nfs/dbraw/zinc/69/46/28/628694628.db2.gz GFJDILMKUXHDMC-MAUKXSAKSA-N 1 0 308.441 3.433 20 10 DGCDRO COc1cc(C[N@H+](CCCCO)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000824801665 628695410 /nfs/dbraw/zinc/69/54/10/628695410.db2.gz DQGZLIQDZIJVTG-UHFFFAOYSA-N 1 0 321.461 3.435 20 10 DGCDRO CO[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)CC1(C)C ZINC000824820212 628697666 /nfs/dbraw/zinc/69/76/66/628697666.db2.gz BNQCTBSUTDALPC-ZDUSSCGKSA-N 1 0 301.789 3.432 20 10 DGCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC000824819261 628697703 /nfs/dbraw/zinc/69/77/03/628697703.db2.gz MWTDRGPGHRQIJY-ZDUSSCGKSA-N 1 0 323.820 3.129 20 10 DGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1OC ZINC000824941591 628709519 /nfs/dbraw/zinc/70/95/19/628709519.db2.gz PVIOLQCYPLBGTG-RDTXWAMCSA-N 1 0 303.402 3.030 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000824940916 628709564 /nfs/dbraw/zinc/70/95/64/628709564.db2.gz FQKSRBFYTKDPEL-VQTJNVASSA-N 1 0 312.457 3.144 20 10 DGCDRO C[C@H]1CN(Cc2ccccc2)CC[N@H+](Cc2ccccc2O)C1 ZINC000824976529 628712454 /nfs/dbraw/zinc/71/24/54/628712454.db2.gz BVQQDCLIJLVWDL-KRWDZBQOSA-N 1 0 310.441 3.346 20 10 DGCDRO Oc1cc2c(cc1C[NH+]1CC(c3cccc(Cl)c3)C1)OCO2 ZINC000824987890 628714568 /nfs/dbraw/zinc/71/45/68/628714568.db2.gz DOXPIFUAHPIWLK-UHFFFAOYSA-N 1 0 317.772 3.374 20 10 DGCDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3c(O)cccc3OC)C2)c1 ZINC000825090747 628726112 /nfs/dbraw/zinc/72/61/12/628726112.db2.gz GNFDBDAXKGLMFD-SHTZXODSSA-N 1 0 313.397 3.445 20 10 DGCDRO CCOc1ccc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c(O)c1 ZINC000825104177 628727844 /nfs/dbraw/zinc/72/78/44/628727844.db2.gz QEQXVQFTPDDVNC-DLBZAZTESA-N 1 0 305.418 3.180 20 10 DGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000825112245 628729494 /nfs/dbraw/zinc/72/94/94/628729494.db2.gz SBWOMBOFXNDGJA-CABCVRRESA-N 1 0 324.424 3.157 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1Cl ZINC000825173812 628734841 /nfs/dbraw/zinc/73/48/41/628734841.db2.gz SJFGCLZNJSTLNT-LLVKDONJSA-N 1 0 322.758 3.080 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1Cl ZINC000825173813 628735164 /nfs/dbraw/zinc/73/51/64/628735164.db2.gz SJFGCLZNJSTLNT-NSHDSACASA-N 1 0 322.758 3.080 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000825197167 628737159 /nfs/dbraw/zinc/73/71/59/628737159.db2.gz UAOWQKDQCAFTFO-UHFFFAOYSA-N 1 0 315.388 3.413 20 10 DGCDRO Cc1ccc(O)c(C[NH+]2CCC(OCCOC(C)C)CC2)c1 ZINC000825208053 628737574 /nfs/dbraw/zinc/73/75/74/628737574.db2.gz RCJUNBZJESYIBI-UHFFFAOYSA-N 1 0 307.434 3.107 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1Cl ZINC000825283366 628746350 /nfs/dbraw/zinc/74/63/50/628746350.db2.gz KNGSBFFVHJDAKC-HNNXBMFYSA-N 1 0 309.768 3.316 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1Cl ZINC000825291292 628747185 /nfs/dbraw/zinc/74/71/85/628747185.db2.gz IQVQMOZQRVWABZ-OCCSQVGLSA-N 1 0 324.852 3.091 20 10 DGCDRO CC[C@@H](COC)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000825297532 628747238 /nfs/dbraw/zinc/74/72/38/628747238.db2.gz HPTDVZNBVSBMDN-KRWDZBQOSA-N 1 0 315.413 3.486 20 10 DGCDRO CO[C@H](C[NH2+]Cc1ccc(Br)cc1O)C(C)(C)C ZINC000825320859 628748617 /nfs/dbraw/zinc/74/86/17/628748617.db2.gz PDHPUTSZZWCBHV-CYBMUJFWSA-N 1 0 316.239 3.305 20 10 DGCDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825320986 628748954 /nfs/dbraw/zinc/74/89/54/628748954.db2.gz RBKDWDAFKGHXTP-LLVKDONJSA-N 1 0 321.852 3.425 20 10 DGCDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc(Br)cc1O ZINC000825325740 628749771 /nfs/dbraw/zinc/74/97/71/628749771.db2.gz HXBQFBQZWPHUEG-NSHDSACASA-N 1 0 321.218 3.271 20 10 DGCDRO CCOCc1cc(C[NH2+]C(C)(C)CN2CCCC2)ccc1OC ZINC000825325662 628749822 /nfs/dbraw/zinc/74/98/22/628749822.db2.gz GQJLVKAYABROKO-UHFFFAOYSA-N 1 0 320.477 3.196 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccccc1O ZINC000825328135 628750297 /nfs/dbraw/zinc/75/02/97/628750297.db2.gz YMYXRSXRPADSSO-UKPHBRMFSA-N 1 0 315.417 3.087 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1ccccc1O ZINC000825328130 628750435 /nfs/dbraw/zinc/75/04/35/628750435.db2.gz YMYXRSXRPADSSO-JLJPHGGASA-N 1 0 315.417 3.087 20 10 DGCDRO OCCC[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000825338870 628751541 /nfs/dbraw/zinc/75/15/41/628751541.db2.gz WKMUTYZXXSBYRM-QGZVFWFLSA-N 1 0 302.462 3.271 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)cc1Cl ZINC000825370124 628754263 /nfs/dbraw/zinc/75/42/63/628754263.db2.gz JLOMUDNOIBMGHH-GUYCJALGSA-N 1 0 319.832 3.436 20 10 DGCDRO COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c(O)c(C(C)(C)C)c1 ZINC000825451664 628763231 /nfs/dbraw/zinc/76/32/31/628763231.db2.gz XGIRRIBGBIMQRU-KGLIPLIRSA-N 1 0 321.461 3.291 20 10 DGCDRO COc1cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000825629025 628778870 /nfs/dbraw/zinc/77/88/70/628778870.db2.gz PLQPFXFPJQYLAX-MRXNPFEDSA-N 1 0 321.461 3.291 20 10 DGCDRO Cc1cc(O)c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000826016379 628820294 /nfs/dbraw/zinc/82/02/94/628820294.db2.gz IMOMJDUYBQRFGW-KRWDZBQOSA-N 1 0 308.853 3.272 20 10 DGCDRO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000826911343 628903116 /nfs/dbraw/zinc/90/31/16/628903116.db2.gz WYPHXCHNZMGVKL-UHFFFAOYSA-N 1 0 322.452 3.390 20 10 DGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC000827538098 628969329 /nfs/dbraw/zinc/96/93/29/628969329.db2.gz NOUWZXYWFSOLAK-XJKSGUPXSA-N 1 0 313.397 3.176 20 10 DGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)c2nccn2C)c1O ZINC000827722824 628985845 /nfs/dbraw/zinc/98/58/45/628985845.db2.gz WRNDFHFDEJKCMG-JTQLQIEISA-N 1 0 324.222 3.047 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000827750342 628987998 /nfs/dbraw/zinc/98/79/98/628987998.db2.gz DZVACLNHLBGYIV-GOEBONIOSA-N 1 0 311.809 3.257 20 10 DGCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(OCC)cc1O ZINC000827750526 628988173 /nfs/dbraw/zinc/98/81/73/628988173.db2.gz IPDSLTVUSLSLKQ-AEFFLSMTSA-N 1 0 321.417 3.002 20 10 DGCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cc(OCC)ccc1O ZINC000827751997 628988566 /nfs/dbraw/zinc/98/85/66/628988566.db2.gz ZGZVYPZLKOQJLL-FUHWJXTLSA-N 1 0 321.417 3.002 20 10 DGCDRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000827757803 628988932 /nfs/dbraw/zinc/98/89/32/628988932.db2.gz NGDWDBVZQNKTMM-UHFFFAOYSA-N 1 0 309.381 3.133 20 10 DGCDRO Cc1ccc(O)c(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1 ZINC000827789905 628991645 /nfs/dbraw/zinc/99/16/45/628991645.db2.gz YGIPTIKLOVYKJF-AAEUAGOBSA-N 1 0 303.324 3.242 20 10 DGCDRO CCOc1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(O)c1 ZINC000827851251 628997068 /nfs/dbraw/zinc/99/70/68/628997068.db2.gz RVNOSCQQYCTCGJ-KDURUIRLSA-N 1 0 317.429 3.184 20 10 DGCDRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1O ZINC000827923471 629003784 /nfs/dbraw/zinc/00/37/84/629003784.db2.gz REUGCFJOPVXPGV-OAHLLOKOSA-N 1 0 324.424 3.479 20 10 DGCDRO C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000827941376 629006093 /nfs/dbraw/zinc/00/60/93/629006093.db2.gz QQYCXIUKJLXUJH-OAHLLOKOSA-N 1 0 324.424 3.018 20 10 DGCDRO CCOc1ccc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(O)c1 ZINC000828013377 629013872 /nfs/dbraw/zinc/01/38/72/629013872.db2.gz BWNQXNSSYZLMRA-UHFFFAOYSA-N 1 0 315.417 3.099 20 10 DGCDRO Cc1cc(C[N@H+](C)C[C@@H](O)C2CC2)ccc1N1CCCCC1 ZINC000828015439 629014768 /nfs/dbraw/zinc/01/47/68/629014768.db2.gz FSQKLSHZLVNWRJ-LJQANCHMSA-N 1 0 302.462 3.188 20 10 DGCDRO Cc1cc(C[NH2+][C@@](C)(CO)C(C)C)ccc1N1CCCCC1 ZINC000829957326 629212106 /nfs/dbraw/zinc/21/21/06/629212106.db2.gz GJFLSAUWRWZXEY-IBGZPJMESA-N 1 0 304.478 3.482 20 10 DGCDRO CCN(C)c1ccc(C[NH2+][C@@H](CCO)c2ccccc2F)cc1 ZINC000830354995 629257114 /nfs/dbraw/zinc/25/71/14/629257114.db2.gz BBIBTTKPLRUEKI-IBGZPJMESA-N 1 0 316.420 3.495 20 10 DGCDRO CC(C)CCCCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832265999 629457235 /nfs/dbraw/zinc/45/72/35/629457235.db2.gz CGAUHPJDXWFNEZ-SFHVURJKSA-N 1 0 319.493 3.475 20 10 DGCDRO CCCCC[C@@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274057 629457835 /nfs/dbraw/zinc/45/78/35/629457835.db2.gz RKOZZOLZTMLQRA-QAPCUYQASA-N 1 0 319.493 3.475 20 10 DGCDRO CCCCC[C@@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274055 629457837 /nfs/dbraw/zinc/45/78/37/629457837.db2.gz RKOZZOLZTMLQRA-CRAIPNDOSA-N 1 0 319.493 3.475 20 10 DGCDRO CCOC(=O)N[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CC(C)C ZINC000834502001 629718298 /nfs/dbraw/zinc/71/82/98/629718298.db2.gz LRVDSDWYFJKDIA-LSDHHAIUSA-N 1 0 320.433 3.130 20 10 DGCDRO CN(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834527093 629721041 /nfs/dbraw/zinc/72/10/41/629721041.db2.gz VEGFWCBHRTYRSW-ZWKOTPCHSA-N 1 0 310.441 3.142 20 10 DGCDRO COc1ccccc1OCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834566749 629729457 /nfs/dbraw/zinc/72/94/57/629729457.db2.gz RNVXRWLXIZPMNO-OAHLLOKOSA-N 1 0 313.397 3.447 20 10 DGCDRO COc1cccc(O[C@H](C)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000834602815 629739155 /nfs/dbraw/zinc/73/91/55/629739155.db2.gz VDAVMMYTIMYCQM-DYVFJYSZSA-N 1 0 313.397 3.445 20 10 DGCDRO Cc1cccn2cc(CC[NH2+][C@@H]3CCc4cccc(O)c43)nc12 ZINC000834612491 629739637 /nfs/dbraw/zinc/73/96/37/629739637.db2.gz UJHZBYXJKOAZQB-MRXNPFEDSA-N 1 0 307.397 3.168 20 10 DGCDRO Cc1ccc(N2CC[C@H]([NH2+][C@H]3CCc4cccc(O)c43)C2=O)cc1 ZINC000834668242 629752581 /nfs/dbraw/zinc/75/25/81/629752581.db2.gz IXTNSKFOMBTWNA-IRXDYDNUSA-N 1 0 322.408 3.083 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)C ZINC000834880246 629796008 /nfs/dbraw/zinc/79/60/08/629796008.db2.gz QDGFFTQOHKMATA-PPHDSNJXSA-N 1 0 322.424 3.172 20 10 DGCDRO CC[C@H]([NH2+][C@H](C(=O)N(C)CC)C(C)C)c1ccc(N(C)C)cc1 ZINC000834880339 629796145 /nfs/dbraw/zinc/79/61/45/629796145.db2.gz UVBZFOLLSHKSMW-ROUUACIJSA-N 1 0 319.493 3.296 20 10 DGCDRO CC[C@](C)(C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000834881595 629796404 /nfs/dbraw/zinc/79/64/04/629796404.db2.gz AYYMLBSVWYOCRE-KBXCAEBGSA-N 1 0 324.440 3.128 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)C ZINC000834880247 629796465 /nfs/dbraw/zinc/79/64/65/629796465.db2.gz QDGFFTQOHKMATA-ZUCKAHLUSA-N 1 0 322.424 3.172 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@H](c3ccncc3)C1)CC2 ZINC000834895081 629800468 /nfs/dbraw/zinc/80/04/68/629800468.db2.gz XDLXYAVFJGGSSX-NUJGCVRESA-N 1 0 310.397 3.284 20 10 DGCDRO CC[C@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000834895945 629801178 /nfs/dbraw/zinc/80/11/78/629801178.db2.gz FROBXCYKNKOHQS-ABAIWWIYSA-N 1 0 307.825 3.451 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(Cl)ccc1O ZINC000834912250 629807350 /nfs/dbraw/zinc/80/73/50/629807350.db2.gz BXCLSODTYVGITL-AEGPPILISA-N 1 0 322.836 3.240 20 10 DGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000835024881 629827960 /nfs/dbraw/zinc/82/79/60/629827960.db2.gz AHSGZNBZIYEMFR-WLPBJKJWSA-N 1 0 324.472 3.379 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCOCC(F)(F)F)cc1 ZINC000835034740 629830300 /nfs/dbraw/zinc/83/03/00/629830300.db2.gz AWLCZOBJGVDJLI-HWKANZROSA-N 1 0 316.367 3.324 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000835036381 629830439 /nfs/dbraw/zinc/83/04/39/629830439.db2.gz PBGNKMOZLPTHEP-OOFWQKGWSA-N 1 0 310.445 3.167 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000835034270 629830503 /nfs/dbraw/zinc/83/05/03/629830503.db2.gz RWEHDGSFOFPUNO-ARJAWSKDSA-N 1 0 324.424 3.327 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](c2ccco2)N(C)C)cc1 ZINC000835034922 629830654 /nfs/dbraw/zinc/83/06/54/629830654.db2.gz ZVSDEMVDUQGJIX-SUQGKYDKSA-N 1 0 313.445 3.251 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CO)c2cccc(F)c2)cc1 ZINC000835038623 629831549 /nfs/dbraw/zinc/83/15/49/629831549.db2.gz BZTQTIZFAVOTBC-PXPVJAHISA-N 1 0 314.404 3.228 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000835039770 629832157 /nfs/dbraw/zinc/83/21/57/629832157.db2.gz JIPSDFGJERAJFJ-SHCNBLLESA-N 1 0 316.470 3.325 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cccc(N(C)C)n2)cc1 ZINC000835040502 629832161 /nfs/dbraw/zinc/83/21/61/629832161.db2.gz DKHWCTGUWPOWEJ-VOTSOKGWSA-N 1 0 310.445 3.017 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@](C)(O)c2cccs2)cc1 ZINC000835039478 629832372 /nfs/dbraw/zinc/83/23/72/629832372.db2.gz FHYWNRKMQUNMKX-SUZKBHRPSA-N 1 0 316.470 3.325 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccc(CO)cc2)cc1 ZINC000835041911 629832875 /nfs/dbraw/zinc/83/28/75/629832875.db2.gz BKRJAGFPYDXHIU-ARJAWSKDSA-N 1 0 310.441 3.090 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000835041741 629833226 /nfs/dbraw/zinc/83/32/26/629833226.db2.gz DQSVCWATWVEADU-MJSXRHKHSA-N 1 0 308.516 3.204 20 10 DGCDRO Cc1cccc([C@@H](O)C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC000835043880 629833865 /nfs/dbraw/zinc/83/38/65/629833865.db2.gz UWAQANYVTNALOB-CYXJOQHWSA-N 1 0 310.441 3.397 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000835044212 629833881 /nfs/dbraw/zinc/83/38/81/629833881.db2.gz XXTWDGCDEACXIU-GHOSXJJBSA-N 1 0 310.441 3.132 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCc2nccs2)cc1 ZINC000835045078 629834139 /nfs/dbraw/zinc/83/41/39/629834139.db2.gz RSQZTKONBGGGRB-HYXAFXHYSA-N 1 0 301.459 3.445 20 10 DGCDRO CC(C)[C@H]1C[N@H+](C)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835045566 629834608 /nfs/dbraw/zinc/83/46/08/629834608.db2.gz WKDMWQGBZXBQDL-OVKVCFKUSA-N 1 0 301.478 3.038 20 10 DGCDRO CC(C)[C@@H]1C[N@H+](C)CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835045568 629834750 /nfs/dbraw/zinc/83/47/50/629834750.db2.gz WKDMWQGBZXBQDL-RURPWVQCSA-N 1 0 301.478 3.038 20 10 DGCDRO CC[C@](C)(CC(=O)OC)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835048396 629835378 /nfs/dbraw/zinc/83/53/78/629835378.db2.gz RAZCAMXUZCQWFJ-JTHGQSKGSA-N 1 0 304.434 3.087 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH+]2CC(C3CCOCC3)C2)cc1 ZINC000835049063 629835389 /nfs/dbraw/zinc/83/53/89/629835389.db2.gz FCNVJOBEEYSLMX-ARJAWSKDSA-N 1 0 300.446 3.124 20 10 DGCDRO Cc1ccccc1C[C@@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835050016 629836176 /nfs/dbraw/zinc/83/61/76/629836176.db2.gz MAQAZBNXXMYUIP-IEJURRBGSA-N 1 0 324.468 3.267 20 10 DGCDRO COc1cccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1O ZINC000835053941 629837389 /nfs/dbraw/zinc/83/73/89/629837389.db2.gz QIWHDDGDCILYSJ-WAYWQWQTSA-N 1 0 312.413 3.270 20 10 DGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000835053127 629837526 /nfs/dbraw/zinc/83/75/26/629837526.db2.gz KUAVSMKNGCXIJC-QTWIXLPOSA-N 1 0 302.462 3.393 20 10 DGCDRO C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[N@@H+](C2CC2)C1 ZINC000835055547 629838759 /nfs/dbraw/zinc/83/87/59/629838759.db2.gz WATDATCUXOHLKZ-BDUNBXCCSA-N 1 0 313.489 3.182 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCc2cnc(C)cn2)cc1F ZINC000835062829 629841650 /nfs/dbraw/zinc/84/16/50/629841650.db2.gz XWXYBHZDBKZGDF-UHFFFAOYSA-N 1 0 316.424 3.103 20 10 DGCDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(N(C)C)c(F)c1 ZINC000835076359 629845001 /nfs/dbraw/zinc/84/50/01/629845001.db2.gz HWMFAASUSXHFEI-UHFFFAOYSA-N 1 0 318.440 3.283 20 10 DGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cc2n(n1)CCC2 ZINC000840722719 630352317 /nfs/dbraw/zinc/35/23/17/630352317.db2.gz KHQOQGAHSIGKGP-NSHDSACASA-N 1 0 308.476 3.119 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccn(C)n1 ZINC000840815961 630361831 /nfs/dbraw/zinc/36/18/31/630361831.db2.gz JFSWHTCPUSPGCN-VHSXEESVSA-N 1 0 324.222 3.300 20 10 DGCDRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000840854857 630367476 /nfs/dbraw/zinc/36/74/76/630367476.db2.gz HCVBOPBCJQBEMF-IIAWOOMASA-N 1 0 306.475 3.068 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000840893873 630373760 /nfs/dbraw/zinc/37/37/60/630373760.db2.gz NNWVPLKOMUJRQN-GQIGUUNPSA-N 1 0 315.505 3.064 20 10 DGCDRO CCCNC(=O)C1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840910294 630376170 /nfs/dbraw/zinc/37/61/70/630376170.db2.gz PYNAYPOMZRYNOJ-UHFFFAOYSA-N 1 0 324.852 3.092 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000840911771 630376205 /nfs/dbraw/zinc/37/62/05/630376205.db2.gz QDZFYUPTZBTAKI-KRWDZBQOSA-N 1 0 310.445 3.231 20 10 DGCDRO CCC[NH+]1CCC([N@H+](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840911405 630376623 /nfs/dbraw/zinc/37/66/23/630376623.db2.gz ZLLGANVFPFPMRF-UHFFFAOYSA-N 1 0 303.494 3.367 20 10 DGCDRO Cc1cc(N(C)C)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000840913544 630376968 /nfs/dbraw/zinc/37/69/68/630376968.db2.gz GWRMBFPTXMJXCG-LJQANCHMSA-N 1 0 301.478 3.121 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCCNc1ccccn1 ZINC000840932393 630379875 /nfs/dbraw/zinc/37/98/75/630379875.db2.gz PZDGAWAXFCXEDN-UHFFFAOYSA-N 1 0 312.461 3.438 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCc1nc(C(C)C)no1 ZINC000840931827 630379930 /nfs/dbraw/zinc/37/99/30/630379930.db2.gz KKTHXTCFOAYBBU-UHFFFAOYSA-N 1 0 316.449 3.290 20 10 DGCDRO Cc1ccn2cc(C[NH2+]Cc3ccc(N(C)C)cc3C)nc2c1 ZINC000840932775 630380105 /nfs/dbraw/zinc/38/01/05/630380105.db2.gz UGOFDGBFIYNUGZ-UHFFFAOYSA-N 1 0 308.429 3.307 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000840934761 630380444 /nfs/dbraw/zinc/38/04/44/630380444.db2.gz XCGBHNBXCRDVMF-AUUYWEPGSA-N 1 0 316.420 3.412 20 10 DGCDRO Cc1nc(CC[NH2+]Cc2ccc(N(C)C)cc2C)sc1C ZINC000840936633 630380748 /nfs/dbraw/zinc/38/07/48/630380748.db2.gz NEKLXFNQOBUYKD-UHFFFAOYSA-N 1 0 303.475 3.467 20 10 DGCDRO CCOC(CC[NH2+]Cc1c(O)cc(C)cc1Cl)OCC ZINC000840941840 630381474 /nfs/dbraw/zinc/38/14/74/630381474.db2.gz NNWIQNLHQAOMEM-UHFFFAOYSA-N 1 0 301.814 3.233 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000840947535 630382624 /nfs/dbraw/zinc/38/26/24/630382624.db2.gz VXVDLRUOWXDAKW-UHFFFAOYSA-N 1 0 324.424 3.434 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840953497 630384348 /nfs/dbraw/zinc/38/43/48/630384348.db2.gz RWGCUIXQFSRPKC-UHFFFAOYSA-N 1 0 310.445 3.231 20 10 DGCDRO CN(C)c1ccc(CN(CC[NH3+])c2ccc3ccccc3n2)cc1 ZINC000840956765 630384730 /nfs/dbraw/zinc/38/47/30/630384730.db2.gz DJTFWUFXDSJRHJ-UHFFFAOYSA-N 1 0 320.440 3.266 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1F ZINC000840958224 630384852 /nfs/dbraw/zinc/38/48/52/630384852.db2.gz OAZWMDABKJDGAZ-APWZRJJASA-N 1 0 314.404 3.200 20 10 DGCDRO CC(C)[C@@H]1[N@H+](Cc2ccc(N(C)C)cc2)CC12CCOCC2 ZINC000840969461 630388173 /nfs/dbraw/zinc/38/81/73/630388173.db2.gz KMBSGSJHBVGIPR-SFHVURJKSA-N 1 0 302.462 3.390 20 10 DGCDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000840974725 630389621 /nfs/dbraw/zinc/38/96/21/630389621.db2.gz NPASRXNIHKVXJF-CQSZACIVSA-N 1 0 312.413 3.062 20 10 DGCDRO C[C@H]([NH3+])c1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000841028604 630398482 /nfs/dbraw/zinc/39/84/82/630398482.db2.gz FKQHMDPNWPMDEE-JTQLQIEISA-N 1 0 308.784 3.494 20 10 DGCDRO COc1cccc(C[NH2+]CCc2ccc(N)cc2)c1OC(C)C ZINC000841036368 630399993 /nfs/dbraw/zinc/39/99/93/630399993.db2.gz MAJQKCJGCRDHOV-UHFFFAOYSA-N 1 0 314.429 3.397 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CN)C2CCCCC2)cc1 ZINC000841039400 630400332 /nfs/dbraw/zinc/40/03/32/630400332.db2.gz NLVOZRPHMKQYNE-OVKVCFKUSA-N 1 0 301.478 3.263 20 10 DGCDRO Nc1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000841039763 630400694 /nfs/dbraw/zinc/40/06/94/630400694.db2.gz AUEUAFNOISBUCH-UHFFFAOYSA-N 1 0 311.429 3.356 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cnc3ccccc3c2)cc1 ZINC000841044926 630401240 /nfs/dbraw/zinc/40/12/40/630401240.db2.gz FYHJJOXTZDIMAD-LJQANCHMSA-N 1 0 320.440 3.090 20 10 DGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000841044425 630401275 /nfs/dbraw/zinc/40/12/75/630401275.db2.gz WPMKKFQICLDUQG-IHPCNDPISA-N 1 0 309.457 3.146 20 10 DGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000841043233 630401439 /nfs/dbraw/zinc/40/14/39/630401439.db2.gz PLGOBXSFZGUCOH-HXUWFJFHSA-N 1 0 320.440 3.090 20 10 DGCDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046149 630401753 /nfs/dbraw/zinc/40/17/53/630401753.db2.gz WZKXDEPBCVRUFZ-UYAOXDASSA-N 1 0 311.473 3.363 20 10 DGCDRO C[C@@H](CCc1ccsc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046138 630401870 /nfs/dbraw/zinc/40/18/70/630401870.db2.gz WWMNZHAFQCMIFE-KSSFIOAISA-N 1 0 317.502 3.425 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)CCCN3)c1 ZINC000841070609 630404378 /nfs/dbraw/zinc/40/43/78/630404378.db2.gz SDLLTKQKXDSJMT-UHFFFAOYSA-N 1 0 312.413 3.439 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2NCCc3ccccc32)cc1 ZINC000841067728 630404414 /nfs/dbraw/zinc/40/44/14/630404414.db2.gz PHEVXLQWQUPJGF-RMUOZIPVSA-N 1 0 321.468 3.242 20 10 DGCDRO Cc1cc(O)c(CNc2ccc3c(c2)C[NH2+]CCO3)c(Cl)c1 ZINC000841082673 630405613 /nfs/dbraw/zinc/40/56/13/630405613.db2.gz OYNMUNHFBXYJBF-UHFFFAOYSA-N 1 0 318.804 3.448 20 10 DGCDRO CCOc1cccc(CN2CC[NH2+]Cc3c(C)cccc32)c1O ZINC000841090693 630406898 /nfs/dbraw/zinc/40/68/98/630406898.db2.gz VHVIJGCHAXCQKU-UHFFFAOYSA-N 1 0 312.413 3.209 20 10 DGCDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299458 630424546 /nfs/dbraw/zinc/42/45/46/630424546.db2.gz GWOPFFXVMDHINO-GOSISDBHSA-N 1 0 324.428 3.007 20 10 DGCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc(N)cc2)C1 ZINC000841302082 630425629 /nfs/dbraw/zinc/42/56/29/630425629.db2.gz LCUSNDOIHXRPQF-GJZGRUSLSA-N 1 0 318.465 3.148 20 10 DGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(OC2CCC2)CC1 ZINC000841688065 630454445 /nfs/dbraw/zinc/45/44/45/630454445.db2.gz ZGCNBHLEBOANTH-UHFFFAOYSA-N 1 0 312.413 3.474 20 10 DGCDRO CCn1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1=O ZINC000841753103 630462184 /nfs/dbraw/zinc/46/21/84/630462184.db2.gz SGBPPNYBIYPSOQ-LLVKDONJSA-N 1 0 306.793 3.078 20 10 DGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)CC(C)C ZINC000841756120 630462230 /nfs/dbraw/zinc/46/22/30/630462230.db2.gz RBEOLLGQIJOGTL-APWZRJJASA-N 1 0 320.477 3.235 20 10 DGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)cc1 ZINC000841764934 630463426 /nfs/dbraw/zinc/46/34/26/630463426.db2.gz JWLVAZMFYYFSLG-DZGCQCFKSA-N 1 0 311.420 3.133 20 10 DGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc2c(cc1O)CCCC2 ZINC000841766005 630463922 /nfs/dbraw/zinc/46/39/22/630463922.db2.gz XWNSYJWUKSTNOS-IUODEOHRSA-N 1 0 324.415 3.261 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000841955054 630476922 /nfs/dbraw/zinc/47/69/22/630476922.db2.gz YIPLABXUUCXIGQ-MRXNPFEDSA-N 1 0 321.465 3.077 20 10 DGCDRO COc1cc(C)cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1O ZINC000842629113 630556307 /nfs/dbraw/zinc/55/63/07/630556307.db2.gz ZANPKHQKGUWZRC-IBGZPJMESA-N 1 0 315.413 3.049 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1O ZINC000842636321 630556715 /nfs/dbraw/zinc/55/67/15/630556715.db2.gz AQGYDVKCYMIMAZ-AWEZNQCLSA-N 1 0 305.418 3.100 20 10 DGCDRO c1ccc2c(c1)O[C@H](C[NH2+]Cc1ccc3c(c1)CCO3)CS2 ZINC000842726588 630568158 /nfs/dbraw/zinc/56/81/58/630568158.db2.gz JYUZRTQWGZRLSQ-OAHLLOKOSA-N 1 0 313.422 3.264 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](CCO)c2ccccc2F)c1O ZINC000842762098 630573036 /nfs/dbraw/zinc/57/30/36/630573036.db2.gz ATIFEWZBJPDIJB-MRXNPFEDSA-N 1 0 319.376 3.143 20 10 DGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000842786001 630576100 /nfs/dbraw/zinc/57/61/00/630576100.db2.gz YYOLGJFJGPBLQD-GXTWGEPZSA-N 1 0 321.417 3.001 20 10 DGCDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O ZINC000842885353 630589549 /nfs/dbraw/zinc/58/95/49/630589549.db2.gz NWLQGBUAEZTDAE-GXFFZTMASA-N 1 0 310.825 3.096 20 10 DGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCO[C@@H](c3cccnc3)C1)CC2 ZINC000842914351 630593094 /nfs/dbraw/zinc/59/30/94/630593094.db2.gz CUFVPPSNNNXLJO-SOLBZPMBSA-N 1 0 310.397 3.284 20 10 DGCDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000842929685 630594841 /nfs/dbraw/zinc/59/48/41/630594841.db2.gz RATPUXZZPKSVER-HZSPNIEDSA-N 1 0 324.852 3.005 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843043926 630607900 /nfs/dbraw/zinc/60/79/00/630607900.db2.gz DCBWPCBMTLGFBX-IEBWSBKVSA-N 1 0 301.478 3.025 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843046655 630608513 /nfs/dbraw/zinc/60/85/13/630608513.db2.gz YAUCBILNYDGJSE-CQSZACIVSA-N 1 0 312.816 3.149 20 10 DGCDRO CCN(CC)c1ccc(CN2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000843054227 630609060 /nfs/dbraw/zinc/60/90/60/630609060.db2.gz HBBACJTXZQMJKP-UHFFFAOYSA-N 1 0 315.505 3.497 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(-n2ccnc2)cc1 ZINC000843057902 630610001 /nfs/dbraw/zinc/61/00/01/630610001.db2.gz XJAGYEXCMSLGCB-UHFFFAOYSA-N 1 0 318.424 3.284 20 10 DGCDRO Oc1ccccc1CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000843115131 630615122 /nfs/dbraw/zinc/61/51/22/630615122.db2.gz NSPSTALLWBDMMC-INIZCTEOSA-N 1 0 302.805 3.192 20 10 DGCDRO [NH3+]CCN(CCc1ccccc1)Cc1cc(Cl)ccc1O ZINC000843123057 630615947 /nfs/dbraw/zinc/61/59/47/630615947.db2.gz YPNMJHXQZYJYCZ-UHFFFAOYSA-N 1 0 304.821 3.049 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125281 630616529 /nfs/dbraw/zinc/61/65/29/630616529.db2.gz QRYGGMYOOSYJNT-RYUDHWBXSA-N 1 0 312.816 3.006 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125280 630616669 /nfs/dbraw/zinc/61/66/69/630616669.db2.gz QRYGGMYOOSYJNT-NWDGAFQWSA-N 1 0 312.816 3.006 20 10 DGCDRO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843127837 630617051 /nfs/dbraw/zinc/61/70/51/630617051.db2.gz TYLYTRKRFKRVOK-GFCCVEGCSA-N 1 0 312.816 3.006 20 10 DGCDRO CCC(CC)(CC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296637 630643249 /nfs/dbraw/zinc/64/32/49/630643249.db2.gz BWQQRDCOUGOWID-INIZCTEOSA-N 1 0 305.466 3.085 20 10 DGCDRO CCOC(=O)CCCCCN1CCCc2cc(C[NH3+])ccc21 ZINC000843349792 630648766 /nfs/dbraw/zinc/64/87/66/630648766.db2.gz COAITVIVEXCEEC-UHFFFAOYSA-N 1 0 304.434 3.021 20 10 DGCDRO CCCCc1noc([C@H](C)N2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843350620 630648810 /nfs/dbraw/zinc/64/88/10/630648810.db2.gz QOJRMVBVCDZWAV-ZDUSSCGKSA-N 1 0 314.433 3.385 20 10 DGCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1C(=O)OC(C)(C)C ZINC000843414538 630653547 /nfs/dbraw/zinc/65/35/47/630653547.db2.gz HXFCHFJBMMHOAT-ZFWWWQNUSA-N 1 0 305.418 3.192 20 10 DGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000843417079 630654244 /nfs/dbraw/zinc/65/42/44/630654244.db2.gz OWYDAMCQMQWXSM-NVXWUHKLSA-N 1 0 305.418 3.182 20 10 DGCDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000843436237 630658909 /nfs/dbraw/zinc/65/89/09/630658909.db2.gz GGXAISQYSSYVTK-RISCZKNCSA-N 1 0 309.381 3.131 20 10 DGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCCCC[NH3+] ZINC000843486366 630661932 /nfs/dbraw/zinc/66/19/32/630661932.db2.gz RGNHGHFCXJXHGK-UHFFFAOYSA-N 1 0 319.493 3.399 20 10 DGCDRO Cc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c(C)n1-c1cccc(C)c1 ZINC000843504280 630663465 /nfs/dbraw/zinc/66/34/65/630663465.db2.gz PBYRAVYPHRDAFD-UONOGXRCSA-N 1 0 313.445 3.258 20 10 DGCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)N1 ZINC000844312065 630718184 /nfs/dbraw/zinc/71/81/84/630718184.db2.gz CDVJBKZDACZTJG-YJBOKZPZSA-N 1 0 324.424 3.234 20 10 DGCDRO COc1cccc(C[NH2+]CC[C@@H]2CCc3ccccc3N2)c1O ZINC000844905090 630972942 /nfs/dbraw/zinc/97/29/42/630972942.db2.gz VIYZOXVZXIUUEO-INIZCTEOSA-N 1 0 312.413 3.307 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000844911976 630977790 /nfs/dbraw/zinc/97/77/90/630977790.db2.gz QMFXELWNVAOWAU-INIZCTEOSA-N 1 0 300.377 3.438 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc(F)cc1[O-] ZINC000844924644 630985746 /nfs/dbraw/zinc/98/57/46/630985746.db2.gz PGNVKRNHZNLCLR-KRWDZBQOSA-N 1 0 302.393 3.492 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000845971216 631204119 /nfs/dbraw/zinc/20/41/19/631204119.db2.gz INPTUUXQTJZMJO-RBZYPMLTSA-N 1 0 319.323 3.161 20 10 DGCDRO COc1ccc(O)c(C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000846008099 631205501 /nfs/dbraw/zinc/20/55/01/631205501.db2.gz UEASVGXDRBCXBO-WFASDCNBSA-N 1 0 321.417 3.095 20 10 DGCDRO COc1cccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1O ZINC000846016631 631206216 /nfs/dbraw/zinc/20/62/16/631206216.db2.gz ZCFRTYMHQCWTNO-UHFFFAOYSA-N 1 0 319.298 3.267 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846019162 631206501 /nfs/dbraw/zinc/20/65/01/631206501.db2.gz XWZHYEMRYDFNSU-SJCJKPOMSA-N 1 0 319.376 3.142 20 10 DGCDRO COc1cc(O)c(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)cc1OC ZINC000846035576 631207234 /nfs/dbraw/zinc/20/72/34/631207234.db2.gz HDWXSXFUSXQTEP-HUUCEWRRSA-N 1 0 317.788 3.204 20 10 DGCDRO CCOc1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)c(O)c1 ZINC000846042691 631207744 /nfs/dbraw/zinc/20/77/44/631207744.db2.gz NPKRUABXOSDDFC-GOSISDBHSA-N 1 0 305.418 3.086 20 10 DGCDRO CCOC(=O)c1cc(C[NH2+]Cc2cc(Cl)ccc2O)[nH]c1C ZINC000846056788 631208621 /nfs/dbraw/zinc/20/86/21/631208621.db2.gz ZQQOEZXIQRFQAD-UHFFFAOYSA-N 1 0 322.792 3.149 20 10 DGCDRO CCN(C)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000846055582 631208658 /nfs/dbraw/zinc/20/86/58/631208658.db2.gz NITNAEDAFHGHRD-UHFFFAOYSA-N 1 0 305.809 3.187 20 10 DGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H]1SC ZINC000846055788 631208683 /nfs/dbraw/zinc/20/86/83/631208683.db2.gz NTWNHZIEDBZFKJ-MRVWCRGKSA-N 1 0 301.839 3.044 20 10 DGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000846056260 631208693 /nfs/dbraw/zinc/20/86/93/631208693.db2.gz RYXGEGOCWHWGCM-PWSUYJOCSA-N 1 0 309.715 3.245 20 10 DGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)COCC3CC3)CC2)cc1 ZINC000846072314 631209213 /nfs/dbraw/zinc/20/92/13/631209213.db2.gz FRTCGMDMIMEZDW-HNNXBMFYSA-N 1 0 318.461 3.069 20 10 DGCDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)N(C)C ZINC000846139078 631211419 /nfs/dbraw/zinc/21/14/19/631211419.db2.gz POMRTQWLKCAROH-CZUORRHYSA-N 1 0 308.466 3.418 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1O ZINC000846135732 631211475 /nfs/dbraw/zinc/21/14/75/631211475.db2.gz FUEFSGAORLYPPR-TZMCWYRMSA-N 1 0 320.458 3.416 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000846144934 631211855 /nfs/dbraw/zinc/21/18/55/631211855.db2.gz ODWLNABXYFYLIZ-BBRMVZONSA-N 1 0 317.433 3.363 20 10 DGCDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846145062 631211938 /nfs/dbraw/zinc/21/19/38/631211938.db2.gz JXJMEHGQDQNRDK-GOEBONIOSA-N 1 0 315.413 3.309 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)c1O ZINC000846145295 631212026 /nfs/dbraw/zinc/21/20/26/631212026.db2.gz PFQPSRGKCQSQSY-XJKSGUPXSA-N 1 0 301.386 3.093 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cn1 ZINC000846147069 631212124 /nfs/dbraw/zinc/21/21/24/631212124.db2.gz SGOOWUYEMYWILZ-ZDUSSCGKSA-N 1 0 316.401 3.435 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c1O ZINC000846150981 631212318 /nfs/dbraw/zinc/21/23/18/631212318.db2.gz QYFQLMOCMZLUCR-SCLBCKFNSA-N 1 0 313.397 3.365 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](O)Cc2ccccc2)c1O ZINC000846157207 631212580 /nfs/dbraw/zinc/21/25/80/631212580.db2.gz SAZTWQUGVAYBPN-JJRVBVJISA-N 1 0 315.413 3.044 20 10 DGCDRO COc1cc(F)cc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846158507 631212837 /nfs/dbraw/zinc/21/28/37/631212837.db2.gz HUCNYQCJFGPKDZ-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1O ZINC000846166853 631213180 /nfs/dbraw/zinc/21/31/80/631213180.db2.gz DPFCMSMXYOJRAL-CJNGLKHVSA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]CCCc2ncccc2C)c1O ZINC000846170025 631213231 /nfs/dbraw/zinc/21/32/31/631213231.db2.gz UVPCWNGHFPHVIL-AWEZNQCLSA-N 1 0 300.402 3.388 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)c1O ZINC000846168460 631213236 /nfs/dbraw/zinc/21/32/36/631213236.db2.gz CYMSWYSGYKEOFS-DEYYWGMASA-N 1 0 315.413 3.482 20 10 DGCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000846204993 631214765 /nfs/dbraw/zinc/21/47/65/631214765.db2.gz DLAOZFHNUAIMKF-NHYWBVRUSA-N 1 0 322.836 3.097 20 10 DGCDRO C[C@H]([NH2+][C@H](CO)CCF)c1ccc(N2CCCCCC2)cc1 ZINC000846207983 631214910 /nfs/dbraw/zinc/21/49/10/631214910.db2.gz DIJNNGDRLVECFA-RDJZCZTQSA-N 1 0 308.441 3.438 20 10 DGCDRO C[C@H]([NH2+]CCC1(CO)CCC1)c1cc2c(cc1O)CCCC2 ZINC000846211662 631215214 /nfs/dbraw/zinc/21/52/14/631215214.db2.gz XYWYTBPOPNQDAH-AWEZNQCLSA-N 1 0 303.446 3.474 20 10 DGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)cc1 ZINC000846932760 631358113 /nfs/dbraw/zinc/35/81/13/631358113.db2.gz TWBRRIMOWLPDPJ-GOSISDBHSA-N 1 0 312.461 3.112 20 10 DGCDRO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCCCO1 ZINC000847074707 631398041 /nfs/dbraw/zinc/39/80/41/631398041.db2.gz BTWLJOFSPHMYDR-CVEARBPZSA-N 1 0 309.381 3.171 20 10 DGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000848498410 631671264 /nfs/dbraw/zinc/67/12/64/631671264.db2.gz SCFCPINAWCLTAD-MRXNPFEDSA-N 1 0 312.413 3.474 20 10 DGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c1O ZINC000848526955 631678067 /nfs/dbraw/zinc/67/80/67/631678067.db2.gz MXEVIKPKYFJZPP-KXUCPTDWSA-N 1 0 314.223 3.470 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cc1F ZINC000848560622 631692716 /nfs/dbraw/zinc/69/27/16/631692716.db2.gz OXMRIRCCUOYKJK-QZTJIDSGSA-N 1 0 306.425 3.329 20 10 DGCDRO COc1ccc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)cc1C ZINC000848561577 631693633 /nfs/dbraw/zinc/69/36/33/631693633.db2.gz ZIMNIBGXOSDSEO-QGZVFWFLSA-N 1 0 310.397 3.047 20 10 DGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000848563498 631694065 /nfs/dbraw/zinc/69/40/65/631694065.db2.gz SZJMYBKLIRMTAB-VXGBXAGGSA-N 1 0 309.406 3.029 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCc2ncc(C)cc2C)c1 ZINC000848564492 631694932 /nfs/dbraw/zinc/69/49/32/631694932.db2.gz NOIOUZQVIGBMIU-UHFFFAOYSA-N 1 0 300.402 3.135 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000848568697 631696635 /nfs/dbraw/zinc/69/66/35/631696635.db2.gz OQBMUPNFLMXWMB-SNRMKQJTSA-N 1 0 301.478 3.420 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000848568698 631696902 /nfs/dbraw/zinc/69/69/02/631696902.db2.gz OQBMUPNFLMXWMB-ZYSHUDEJSA-N 1 0 301.478 3.420 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000848574126 631699895 /nfs/dbraw/zinc/69/98/95/631699895.db2.gz AAJHLSQTOZKVGQ-GWUCSLHKSA-N 1 0 313.489 3.372 20 10 DGCDRO CCc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000848885306 631770248 /nfs/dbraw/zinc/77/02/48/631770248.db2.gz SOJNEBKXEKSFQO-ZDUSSCGKSA-N 1 0 322.449 3.300 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1O ZINC000848892691 631775832 /nfs/dbraw/zinc/77/58/32/631775832.db2.gz DXGXAKINLYMIQM-MRXNPFEDSA-N 1 0 305.805 3.431 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c1O ZINC000848895507 631776430 /nfs/dbraw/zinc/77/64/30/631776430.db2.gz ULAMNFJMMFXTPT-UHFFFAOYSA-N 1 0 313.397 3.406 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1O ZINC000848895038 631776544 /nfs/dbraw/zinc/77/65/44/631776544.db2.gz OFFGEABUWJZOSK-UHFFFAOYSA-N 1 0 316.357 3.161 20 10 DGCDRO CCc1cccc(C[NH2+]CCc2nnc(-c3ccccc3)o2)c1O ZINC000848898289 631777831 /nfs/dbraw/zinc/77/78/31/631777831.db2.gz AFXVNHLDKAJACP-UHFFFAOYSA-N 1 0 323.396 3.337 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1O ZINC000848900971 631779283 /nfs/dbraw/zinc/77/92/83/631779283.db2.gz SNXOXRBQJOIIHR-FMKPAKJESA-N 1 0 309.500 3.424 20 10 DGCDRO CCc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1O ZINC000848905722 631781095 /nfs/dbraw/zinc/78/10/95/631781095.db2.gz LXJSFDNWFJKWMK-UHFFFAOYSA-N 1 0 300.358 3.461 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000848907007 631781759 /nfs/dbraw/zinc/78/17/59/631781759.db2.gz GLLITNPLFQMZNB-UKRRQHHQSA-N 1 0 317.351 3.090 20 10 DGCDRO CCc1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000848911239 631782604 /nfs/dbraw/zinc/78/26/04/631782604.db2.gz SFVJTOKZULGKIV-OAHLLOKOSA-N 1 0 317.351 3.234 20 10 DGCDRO CCc1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000848913190 631784170 /nfs/dbraw/zinc/78/41/70/631784170.db2.gz QTWTURDMRXOKES-ICSRJNTNSA-N 1 0 311.425 3.210 20 10 DGCDRO CCc1cccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000848916526 631784938 /nfs/dbraw/zinc/78/49/38/631784938.db2.gz WIFWFXLGNZRWHT-UHFFFAOYSA-N 1 0 324.424 3.218 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1O ZINC000848915297 631785441 /nfs/dbraw/zinc/78/54/41/631785441.db2.gz VGPNPDQRHVJUCN-SJLPKXTDSA-N 1 0 312.413 3.360 20 10 DGCDRO CCc1cccc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c1O ZINC000848919456 631786311 /nfs/dbraw/zinc/78/63/11/631786311.db2.gz LKUVVYFOLFYVAV-SFHVURJKSA-N 1 0 303.446 3.398 20 10 DGCDRO COc1ccc2c(c1)CN(Cc1ccc(N(C)C)c(F)c1)C2 ZINC000848925514 631790200 /nfs/dbraw/zinc/79/02/00/631790200.db2.gz FTSPXWAVAKSGDH-UHFFFAOYSA-N 1 0 300.377 3.416 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1O ZINC000848927800 631790663 /nfs/dbraw/zinc/79/06/63/631790663.db2.gz NUFZOEKVJKYSIN-LSDHHAIUSA-N 1 0 324.852 3.161 20 10 DGCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(F)ccc1O ZINC000848927451 631791448 /nfs/dbraw/zinc/79/14/48/631791448.db2.gz FOSKOKFTQDTGTD-AWEZNQCLSA-N 1 0 303.333 3.153 20 10 DGCDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(N2CCC(C)CC2)cc1 ZINC000849006495 631804500 /nfs/dbraw/zinc/80/45/00/631804500.db2.gz LNYJFRCMVUWGCG-HNNXBMFYSA-N 1 0 302.466 3.335 20 10 DGCDRO Cc1cc(O)c(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1C ZINC000849352536 631901491 /nfs/dbraw/zinc/90/14/91/631901491.db2.gz NVWKJFQJNIRPAB-LJQANCHMSA-N 1 0 312.413 3.282 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCc3cc(N)ccc32)c1O ZINC000849352901 631901566 /nfs/dbraw/zinc/90/15/66/631901566.db2.gz SBLLAVCPRHNXOT-HNNXBMFYSA-N 1 0 318.804 3.414 20 10 DGCDRO COc1cc(C[NH2+]CCc2nccs2)c(O)c(C(C)(C)C)c1 ZINC000850101361 632056242 /nfs/dbraw/zinc/05/62/42/632056242.db2.gz JFTSCGPPVVJXMO-UHFFFAOYSA-N 1 0 320.458 3.487 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1c(C2CCC2)cnn1C ZINC000850138106 632063830 /nfs/dbraw/zinc/06/38/30/632063830.db2.gz AAZSGVGXPCVTPN-UHFFFAOYSA-N 1 0 312.461 3.352 20 10 DGCDRO COc1cc(C[NH2+]C[C@H](C)C[C@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000850153123 632066629 /nfs/dbraw/zinc/06/66/29/632066629.db2.gz AJWPYVDRQUSLLA-OLZOCXBDSA-N 1 0 309.450 3.195 20 10 DGCDRO COc1cc(C[NH2+]CC[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850245900 632092259 /nfs/dbraw/zinc/09/22/59/632092259.db2.gz UGVJAGZNJPPIPR-ZDUSSCGKSA-N 1 0 307.434 3.215 20 10 DGCDRO CCOCc1cc(C[NH2+]CCC2CC(OC)C2)ccc1OC ZINC000850343626 632119116 /nfs/dbraw/zinc/11/91/16/632119116.db2.gz QBMWIMOTWWZTKD-UHFFFAOYSA-N 1 0 307.434 3.136 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(OC)c3)C2)cc1 ZINC000850345485 632119944 /nfs/dbraw/zinc/11/99/44/632119944.db2.gz BQCJFRCUAATEMB-MRXNPFEDSA-N 1 0 312.413 3.072 20 10 DGCDRO Cc1cc(F)ccc1C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850350078 632121928 /nfs/dbraw/zinc/12/19/28/632121928.db2.gz NTTZIKONRKUASF-LBPRGKRZSA-N 1 0 317.360 3.289 20 10 DGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C/C=C\CO)cc1 ZINC000850357518 632125001 /nfs/dbraw/zinc/12/50/01/632125001.db2.gz MELYYQFDKZMLOJ-SREVYHEPSA-N 1 0 310.441 3.351 20 10 DGCDRO C[C@@]1(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1(F)F ZINC000850380268 632133100 /nfs/dbraw/zinc/13/31/00/632133100.db2.gz CXLUEPLIRIDGQP-MRXNPFEDSA-N 1 0 310.388 3.048 20 10 DGCDRO Cc1cc(O)c(C[NH2+]Cc2c(C3CC3)cnn2C)c(Cl)c1 ZINC000850379272 632133243 /nfs/dbraw/zinc/13/32/43/632133243.db2.gz JNWSJHIKBKXKLD-UHFFFAOYSA-N 1 0 305.809 3.255 20 10 DGCDRO CN(C)c1ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000850381760 632134012 /nfs/dbraw/zinc/13/40/12/632134012.db2.gz JCOOQLDSTKIVFJ-KRWDZBQOSA-N 1 0 301.478 3.249 20 10 DGCDRO COc1cc(C[NH2+]C[C@@H](CO)CC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850389033 632136623 /nfs/dbraw/zinc/13/66/23/632136623.db2.gz RWVDTIHJSCJIPX-AWEZNQCLSA-N 1 0 321.461 3.197 20 10 DGCDRO CC([NH2+]Cc1ccc(N2CCOCC2)cc1)(C1CC1)C1CC1 ZINC000850397240 632138616 /nfs/dbraw/zinc/13/86/16/632138616.db2.gz DYSVBZCRMGJTLM-UHFFFAOYSA-N 1 0 300.446 3.192 20 10 DGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(O)CCC(F)(F)CC2)cc1 ZINC000850405519 632141604 /nfs/dbraw/zinc/14/16/04/632141604.db2.gz RPNCTPCPNSTCPE-ONEGZZNKSA-N 1 0 324.415 3.296 20 10 DGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850405862 632142335 /nfs/dbraw/zinc/14/23/35/632142335.db2.gz IEFZHNOMWGEMSW-WBVHZDCISA-N 1 0 302.462 3.316 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 ZINC000850409120 632143088 /nfs/dbraw/zinc/14/30/88/632143088.db2.gz LFTSOCIZPJGALB-NZSAHSFTSA-N 1 0 313.372 3.358 20 10 DGCDRO CCOc1cccc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c1O ZINC000850412267 632144045 /nfs/dbraw/zinc/14/40/45/632144045.db2.gz VICIHGLBJAZJGX-WMLDXEAASA-N 1 0 315.413 3.045 20 10 DGCDRO CCOc1ccc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c(O)c1 ZINC000850411587 632144447 /nfs/dbraw/zinc/14/44/47/632144447.db2.gz GCBXEDXFDFINGF-IFXJQAMLSA-N 1 0 315.413 3.045 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000850474318 632163349 /nfs/dbraw/zinc/16/33/49/632163349.db2.gz MAPBDKFONLYOIF-CRAIPNDOSA-N 1 0 312.461 3.313 20 10 DGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)[C@@H]1CCOC1 ZINC000850484373 632167165 /nfs/dbraw/zinc/16/71/65/632167165.db2.gz HZLAXCJEBGKTPH-DDUZABMNSA-N 1 0 315.413 3.248 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(C(F)(F)F)nc2)c(O)c1 ZINC000850486313 632167820 /nfs/dbraw/zinc/16/78/20/632167820.db2.gz RXCOCJBYQVMRQA-SNVBAGLBSA-N 1 0 311.307 3.360 20 10 DGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000850487138 632167953 /nfs/dbraw/zinc/16/79/53/632167953.db2.gz GJQVORLNWIVZII-LPHOPBHVSA-N 1 0 318.461 3.069 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(C(F)(F)F)nc2)c(O)c1 ZINC000850486311 632167964 /nfs/dbraw/zinc/16/79/64/632167964.db2.gz RXCOCJBYQVMRQA-JTQLQIEISA-N 1 0 311.307 3.360 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cnccc3C)C2)cc1 ZINC000850489227 632168332 /nfs/dbraw/zinc/16/83/32/632168332.db2.gz SCXFUTDKFGVOME-JKSUJKDBSA-N 1 0 311.429 3.328 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cscn3)C2)cc1 ZINC000850487756 632168435 /nfs/dbraw/zinc/16/84/35/632168435.db2.gz JFROPCAAZVZXBL-QWHCGFSZSA-N 1 0 303.431 3.081 20 10 DGCDRO CC[C@@H]([NH2+][C@H](COC)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000850491699 632169945 /nfs/dbraw/zinc/16/99/45/632169945.db2.gz ILJZLHPBVQDPLK-RTBURBONSA-N 1 0 320.477 3.235 20 10 DGCDRO COc1cccc(OC)c1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000850505070 632174241 /nfs/dbraw/zinc/17/42/41/632174241.db2.gz MAGRGXSEOUYYGL-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000850541155 632186972 /nfs/dbraw/zinc/18/69/72/632186972.db2.gz SMIQWOOIPHODIF-ZVZYQTTQSA-N 1 0 313.445 3.496 20 10 DGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCN(C3CCCCC3)C1)CC2 ZINC000850538924 632187151 /nfs/dbraw/zinc/18/71/51/632187151.db2.gz OGWGKIGDIHOKQL-DOTOQJQBSA-N 1 0 300.446 3.376 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000850544674 632188031 /nfs/dbraw/zinc/18/80/31/632188031.db2.gz IKGAPNINGDSPRT-UKRRQHHQSA-N 1 0 303.446 3.330 20 10 DGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CN2CCC(C)CC2)c1O ZINC000850543562 632188473 /nfs/dbraw/zinc/18/84/73/632188473.db2.gz MHCVOBAGGMERJY-CABCVRRESA-N 1 0 306.450 3.172 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)c1O ZINC000850552424 632190141 /nfs/dbraw/zinc/19/01/41/632190141.db2.gz WTHOJPAKRGQDBY-LBPRGKRZSA-N 1 0 315.417 3.253 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C ZINC000850558715 632192892 /nfs/dbraw/zinc/19/28/92/632192892.db2.gz TXXRUSXEMGZFMP-LSDHHAIUSA-N 1 0 318.461 3.307 20 10 DGCDRO CO[C@@H](C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)[C@@H]1CCOC1 ZINC000851732051 632478291 /nfs/dbraw/zinc/47/82/91/632478291.db2.gz HZOMSLWGGLHQIQ-MJGOQNOKSA-N 1 0 320.477 3.015 20 10 DGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000852017972 632540641 /nfs/dbraw/zinc/54/06/41/632540641.db2.gz IGAGRPNJRWPKLW-SJLPKXTDSA-N 1 0 307.434 3.046 20 10 DGCDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc2ccccc2c1O ZINC000184862176 660192015 /nfs/dbraw/zinc/19/20/15/660192015.db2.gz ACKSHHDCMBKARR-CYBMUJFWSA-N 1 0 320.392 3.495 20 10 DGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000184912723 660194304 /nfs/dbraw/zinc/19/43/04/660194304.db2.gz WPFRTMZGJNHFHX-OAGGEKHMSA-N 1 0 320.477 3.239 20 10 DGCDRO COc1ccc(OCC[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000184903565 660194580 /nfs/dbraw/zinc/19/45/80/660194580.db2.gz LHOWTRPCYFOQCU-CQSZACIVSA-N 1 0 301.386 3.439 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)c(O)c1 ZINC000185000059 660197851 /nfs/dbraw/zinc/19/78/51/660197851.db2.gz DBIPTYBIEAARMQ-CQSZACIVSA-N 1 0 308.385 3.132 20 10 DGCDRO CCOc1cccc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1O ZINC000185199623 660207111 /nfs/dbraw/zinc/20/71/11/660207111.db2.gz JLHHUBXJCMIHFB-RDJZCZTQSA-N 1 0 307.434 3.474 20 10 DGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cccc(OCC)c1O)C(C)C ZINC000185236496 660211251 /nfs/dbraw/zinc/21/12/51/660211251.db2.gz VCUGASIIIKMFFV-GOSISDBHSA-N 1 0 323.433 3.248 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cccc(C)c2)c1 ZINC000186124565 660269043 /nfs/dbraw/zinc/26/90/43/660269043.db2.gz HBSVMDZRPLKPAU-UGSOOPFHSA-N 1 0 301.386 3.093 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000073381016 660269921 /nfs/dbraw/zinc/26/99/21/660269921.db2.gz IZYKJIUBYWHLRC-UHFFFAOYSA-N 1 0 301.478 3.249 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H](O)Cc1ccccc1 ZINC000186148140 660270176 /nfs/dbraw/zinc/27/01/76/660270176.db2.gz ZRVABIVGMVORPY-VEVIJQCQSA-N 1 0 303.377 3.174 20 10 DGCDRO CC[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998576525 660394551 /nfs/dbraw/zinc/39/45/51/660394551.db2.gz FXHKJDMDPFYGTL-RHSMWYFYSA-N 1 0 318.461 3.130 20 10 DGCDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000701914410 660691639 /nfs/dbraw/zinc/69/16/39/660691639.db2.gz FPVZLLLBCOQPSA-JSGCOSHPSA-N 1 0 320.433 3.225 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C=C(C)C)cc1C ZINC001034848862 660801040 /nfs/dbraw/zinc/80/10/40/660801040.db2.gz YTSMJZRKTNOUDH-QGZVFWFLSA-N 1 0 316.445 3.050 20 10 DGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1c(O)cccc1Br)OC ZINC000706799901 660871463 /nfs/dbraw/zinc/87/14/63/660871463.db2.gz HZNZZVWDPSGZIR-HZMBPMFUSA-N 1 0 316.239 3.305 20 10 DGCDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706871991 660875842 /nfs/dbraw/zinc/87/58/42/660875842.db2.gz BAZPFESCJROXGZ-GZMMTYOYSA-N 1 0 302.237 3.138 20 10 DGCDRO Cc1ccc(CC[NH2+]Cc2c(O)cccc2Br)o1 ZINC000706872947 660875895 /nfs/dbraw/zinc/87/58/95/660875895.db2.gz XIGBRHMDDXUSKW-UHFFFAOYSA-N 1 0 310.191 3.388 20 10 DGCDRO CO[C@@](C)(C[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706885017 660879412 /nfs/dbraw/zinc/87/94/12/660879412.db2.gz OFQQIVYYQMKHTH-AWEZNQCLSA-N 1 0 314.223 3.059 20 10 DGCDRO C[C@H]1CN(c2ccc(C[NH2+]CC3(F)CC3)cc2F)C[C@H](C)O1 ZINC000792920248 660993737 /nfs/dbraw/zinc/99/37/37/660993737.db2.gz RVORHSOFTDATCW-STQMWFEESA-N 1 0 310.388 3.031 20 10 DGCDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792972736 660997804 /nfs/dbraw/zinc/99/78/04/660997804.db2.gz BFWWVRGBTHYLDT-HNNXBMFYSA-N 1 0 318.383 3.412 20 10 DGCDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793083293 661004113 /nfs/dbraw/zinc/00/41/13/661004113.db2.gz BRXDPUWQVCNKMO-ZFDPJTLLSA-N 1 0 316.367 3.188 20 10 DGCDRO CC[C@@H](COC)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792992578 660998870 /nfs/dbraw/zinc/99/88/70/660998870.db2.gz POVCIBBNYZEXKO-LBPRGKRZSA-N 1 0 304.356 3.286 20 10 DGCDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793011438 661000389 /nfs/dbraw/zinc/00/03/89/661000389.db2.gz VEDGLIAORJATQV-OAHLLOKOSA-N 1 0 318.383 3.412 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)CC2CC2)c(C(F)(F)F)c1 ZINC000793027246 661000767 /nfs/dbraw/zinc/00/07/67/661000767.db2.gz IMYCRRMYLVEADM-ZDUSSCGKSA-N 1 0 316.367 3.022 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CC2CC2)c(C(F)(F)F)c1 ZINC000793027240 661000844 /nfs/dbraw/zinc/00/08/44/661000844.db2.gz IMYCRRMYLVEADM-CYBMUJFWSA-N 1 0 316.367 3.022 20 10 DGCDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793073604 661003599 /nfs/dbraw/zinc/00/35/99/661003599.db2.gz LXMCFXPLMKUIBJ-IAQYHMDHSA-N 1 0 316.367 3.429 20 10 DGCDRO COc1cc(Cl)cc(C[NH2+]CCc2cccc(C)n2)c1O ZINC000793203713 661012650 /nfs/dbraw/zinc/01/26/50/661012650.db2.gz XSQZCXOPJIYAMQ-UHFFFAOYSA-N 1 0 306.793 3.090 20 10 DGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2cnccc2C)c1O ZINC000793341410 661025610 /nfs/dbraw/zinc/02/56/10/661025610.db2.gz UAOACNIFAPTGLI-UHFFFAOYSA-N 1 0 306.793 3.390 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cc(C)c(OC)c(C)c2)c(O)c1 ZINC000793389053 661029123 /nfs/dbraw/zinc/02/91/23/661029123.db2.gz UNTDMOZBNGQMLB-UHFFFAOYSA-N 1 0 301.386 3.316 20 10 DGCDRO COc1ccc(C[NH2+]Cc2cnc(C(C)(C)C)s2)c(O)c1 ZINC000793387472 661029309 /nfs/dbraw/zinc/02/93/09/661029309.db2.gz FESYJLUMSGCBRQ-UHFFFAOYSA-N 1 0 306.431 3.445 20 10 DGCDRO C[C@H]1C[C@H]([NH2+]Cc2cnc3n2CCCC3)c2c1c(F)ccc2O ZINC000793566234 661046269 /nfs/dbraw/zinc/04/62/69/661046269.db2.gz SPQDRZPCXPHACJ-FZMZJTMJSA-N 1 0 315.392 3.402 20 10 DGCDRO COc1cc(C)cc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1O ZINC000793778175 661056922 /nfs/dbraw/zinc/05/69/22/661056922.db2.gz BEUNDUWFNMQVLO-AWEZNQCLSA-N 1 0 313.397 3.492 20 10 DGCDRO CC[C@@H]([NH2+]CCc1nnc2ccccn21)c1ccc(C)cc1O ZINC000794796032 661105762 /nfs/dbraw/zinc/10/57/62/661105762.db2.gz RHAHTJVVFPOKFH-OAHLLOKOSA-N 1 0 310.401 3.027 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1O ZINC000794802340 661105976 /nfs/dbraw/zinc/10/59/76/661105976.db2.gz DZWTXDVAJCKNRY-OCCSQVGLSA-N 1 0 316.367 3.378 20 10 DGCDRO CC[C@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(C)cc1O ZINC000794804001 661106088 /nfs/dbraw/zinc/10/60/88/661106088.db2.gz LIEKDDAXPFMKFO-KRWDZBQOSA-N 1 0 312.413 3.058 20 10 DGCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1OC)c1ccc(C)cc1O ZINC000794812508 661106539 /nfs/dbraw/zinc/10/65/39/661106539.db2.gz WSDYQUULWQFEKZ-SJORKVTESA-N 1 0 315.413 3.484 20 10 DGCDRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(C)cc1O ZINC000794810552 661106569 /nfs/dbraw/zinc/10/65/69/661106569.db2.gz LUVWSAZWJZNEKO-WMLDXEAASA-N 1 0 303.402 3.186 20 10 DGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O ZINC000794817807 661107003 /nfs/dbraw/zinc/10/70/03/661107003.db2.gz RATNKTMYFSUKPP-HIFRSBDPSA-N 1 0 304.434 3.141 20 10 DGCDRO CCOC1CC2(C1)CC[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000795720056 661169492 /nfs/dbraw/zinc/16/94/92/661169492.db2.gz IDTCLQHSUPAZHF-UHFFFAOYSA-N 1 0 312.413 3.331 20 10 DGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000795715717 661169614 /nfs/dbraw/zinc/16/96/14/661169614.db2.gz DWVILKPXIDRVPU-HNNXBMFYSA-N 1 0 317.351 3.288 20 10 DGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000050901700 655685579 /nfs/dbraw/zinc/68/55/79/655685579.db2.gz GASNNCHKVCAWAH-MRXNPFEDSA-N 1 0 318.461 3.137 20 10 DGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000798004295 661187077 /nfs/dbraw/zinc/18/70/77/661187077.db2.gz VPIWHIZSTGLSJB-LOWVWBTDSA-N 1 0 311.809 3.428 20 10 DGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(Br)c2)c1 ZINC000048817927 655777742 /nfs/dbraw/zinc/77/77/42/655777742.db2.gz IEBFTENYBQMIJR-UHFFFAOYSA-N 1 0 322.202 3.453 20 10 DGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000724910979 655827582 /nfs/dbraw/zinc/82/75/82/655827582.db2.gz BYQHSALYJMAOPV-UONOGXRCSA-N 1 0 320.433 3.361 20 10 DGCDRO COc1cc(Cl)cc(CN2CCC([NH2+]CC3CC3)CC2)c1O ZINC000317902943 655829373 /nfs/dbraw/zinc/82/93/73/655829373.db2.gz XWCOMTPLECIKBC-UHFFFAOYSA-N 1 0 324.852 3.018 20 10 DGCDRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000177919881 655949962 /nfs/dbraw/zinc/94/99/62/655949962.db2.gz QBLHJQWDYCRGJI-GFCCVEGCSA-N 1 0 304.356 3.372 20 10 DGCDRO C[C@@H]([NH2+]CCn1cccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180432045 655965834 /nfs/dbraw/zinc/96/58/34/655965834.db2.gz SIINEVTZMZCAPE-OAHLLOKOSA-N 1 0 316.424 3.363 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1OC ZINC000176981141 655970802 /nfs/dbraw/zinc/97/08/02/655970802.db2.gz BIJCVLASEBSJIZ-LLVKDONJSA-N 1 0 305.349 3.399 20 10 DGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000168982522 656010916 /nfs/dbraw/zinc/01/09/16/656010916.db2.gz HLVKPPIYQQFPEO-KSZLIROESA-N 1 0 300.446 3.190 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)c1 ZINC000182348866 656104827 /nfs/dbraw/zinc/10/48/27/656104827.db2.gz QHMRQBVDVWCUCI-NSHDSACASA-N 1 0 300.333 3.262 20 10 DGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOCC2CCOCC2)c(O)c1 ZINC000185520392 656127329 /nfs/dbraw/zinc/12/73/29/656127329.db2.gz GHFRAPKNTMBLIC-OAHLLOKOSA-N 1 0 307.434 3.185 20 10 DGCDRO Oc1ccc(F)cc1C[NH2+]CCc1ccccc1OC(F)F ZINC000188989526 656150301 /nfs/dbraw/zinc/15/03/01/656150301.db2.gz YJTYRYDPEITLJU-UHFFFAOYSA-N 1 0 311.303 3.465 20 10 DGCDRO COC[C@@H]1C[N@H+](Cc2cc(C(C)C)c(C)cc2O)C[C@H](C)O1 ZINC000190219193 656159433 /nfs/dbraw/zinc/15/94/33/656159433.db2.gz MQJZEDXUZGUWAE-HOCLYGCPSA-N 1 0 307.434 3.060 20 10 DGCDRO CCOc1ccc(O)c(C[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC000190291834 656159934 /nfs/dbraw/zinc/15/99/34/656159934.db2.gz WXUCUHNWWRJOPI-UHFFFAOYSA-N 1 0 307.340 3.401 20 10 DGCDRO CC[C@@]1(C)C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000190328973 656160338 /nfs/dbraw/zinc/16/03/38/656160338.db2.gz WMVJUJOUTKIRLH-SFHVURJKSA-N 1 0 307.434 3.396 20 10 DGCDRO C[C@H]([NH2+]CCCOC(F)F)c1cc(Br)ccc1O ZINC000194033583 656196912 /nfs/dbraw/zinc/19/69/12/656196912.db2.gz GLFVRKSEPARSHL-QMMMGPOBSA-N 1 0 324.165 3.435 20 10 DGCDRO Cc1cncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000181827757 656385375 /nfs/dbraw/zinc/38/53/75/656385375.db2.gz XHUUFXCZXHKAEO-INIZCTEOSA-N 1 0 311.429 3.077 20 10 DGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C(C)C)cc1C ZINC001036950370 661265978 /nfs/dbraw/zinc/26/59/78/661265978.db2.gz UFVIHFCWWAGBRQ-SJORKVTESA-N 1 0 318.461 3.034 20 10 DGCDRO C[C@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000724925209 656530439 /nfs/dbraw/zinc/53/04/39/656530439.db2.gz JUODFVNZULHSHF-AAEUAGOBSA-N 1 0 324.396 3.191 20 10 DGCDRO Cc1cscc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000094878258 656912211 /nfs/dbraw/zinc/91/22/11/656912211.db2.gz BSJKMBJCFDRYOI-UHFFFAOYSA-N 1 0 302.443 3.183 20 10 DGCDRO Cc1noc(C2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000178870079 657092393 /nfs/dbraw/zinc/09/23/93/657092393.db2.gz CCIWFKFTUJWGCF-UHFFFAOYSA-N 1 0 301.390 3.080 20 10 DGCDRO Cc1cc(-c2nc(C3([NH3+])CCCC3)no2)c(C)n1-c1ccccn1 ZINC000261905387 657173920 /nfs/dbraw/zinc/17/39/20/657173920.db2.gz ZAXLOXOWPLNJIS-UHFFFAOYSA-N 1 0 323.400 3.267 20 10 DGCDRO CC[N@@H+]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000320628087 657389404 /nfs/dbraw/zinc/38/94/04/657389404.db2.gz BCSMDBIJVMSHIL-GFCCVEGCSA-N 1 0 324.852 3.164 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1C ZINC000304309984 657622376 /nfs/dbraw/zinc/62/23/76/657622376.db2.gz NHUVNRHDROWFNB-MRXNPFEDSA-N 1 0 307.340 3.110 20 10 DGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(C#N)cc1 ZINC000305056790 657670097 /nfs/dbraw/zinc/67/00/97/657670097.db2.gz CUMYGJFMKFCUIZ-LJQANCHMSA-N 1 0 310.397 3.209 20 10 DGCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000305789651 657735006 /nfs/dbraw/zinc/73/50/06/657735006.db2.gz SZIKYBFHKSAQKE-KRWDZBQOSA-N 1 0 315.413 3.174 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C=C(C)C)[C@H]2C)cc1C ZINC000985919225 657921357 /nfs/dbraw/zinc/92/13/57/657921357.db2.gz CLRMCYOZBIXQLH-RDJZCZTQSA-N 1 0 316.445 3.049 20 10 DGCDRO COc1cccc(C[NH2+]Cc2cc(-c3ccccc3)on2)c1O ZINC000237391872 658384018 /nfs/dbraw/zinc/38/40/18/658384018.db2.gz KSIJDUBSOHCABD-UHFFFAOYSA-N 1 0 310.353 3.346 20 10 DGCDRO CC[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000163499983 658467295 /nfs/dbraw/zinc/46/72/95/658467295.db2.gz NQXQEAPVISPTDF-OALUTQOASA-N 1 0 320.477 3.379 20 10 DGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CCOc2ccccc21 ZINC000322470717 658523206 /nfs/dbraw/zinc/52/32/06/658523206.db2.gz KVPLEDKWFMMJMX-KRWDZBQOSA-N 1 0 308.425 3.464 20 10 DGCDRO C[C@@H]1CCC[C@@](C[NH2+]Cc2ccc3c(c2)CCO3)(N(C)C)C1 ZINC000237513206 658774800 /nfs/dbraw/zinc/77/48/00/658774800.db2.gz MZGNJJGDOXKLQM-DNVCBOLYSA-N 1 0 302.462 3.222 20 10 DGCDRO Nc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000323776930 658882514 /nfs/dbraw/zinc/88/25/14/658882514.db2.gz BVOYVBLDOQNOLL-UHFFFAOYSA-N 1 0 324.428 3.009 20 10 DGCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164456408 658935058 /nfs/dbraw/zinc/93/50/58/658935058.db2.gz DDQBOULONFFTQM-AWEZNQCLSA-N 1 0 307.434 3.309 20 10 DGCDRO C[C@@H](Cc1ccco1)[NH2+]Cc1cc(Br)ccc1O ZINC000226036463 659091129 /nfs/dbraw/zinc/09/11/29/659091129.db2.gz MNMQRJZNYUFKKN-JTQLQIEISA-N 1 0 310.191 3.469 20 10 DGCDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000173479550 659388076 /nfs/dbraw/zinc/38/80/76/659388076.db2.gz LRBGLUOBMIZUPY-MRXNPFEDSA-N 1 0 311.429 3.111 20 10 DGCDRO COc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(O)cc1C ZINC000179437628 659928855 /nfs/dbraw/zinc/92/88/55/659928855.db2.gz LVZZKLKQPHYVDI-UHFFFAOYSA-N 1 0 316.357 3.249 20 10 DGCDRO Cc1cc(C(=O)N(C)[C@H](C)C[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000237636493 659933005 /nfs/dbraw/zinc/93/30/05/659933005.db2.gz LQOHLRLRSDHTPC-GFCCVEGCSA-N 1 0 319.836 3.167 20 10 DGCDRO C[C@H]([NH2+]CCn1cccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180432026 659961985 /nfs/dbraw/zinc/96/19/85/659961985.db2.gz SIINEVTZMZCAPE-HNNXBMFYSA-N 1 0 316.424 3.363 20 10 DGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(OC)ccc1O ZINC000183444031 660114246 /nfs/dbraw/zinc/11/42/46/660114246.db2.gz JTSUMYASODOQDO-UHFFFAOYSA-N 1 0 314.429 3.489 20 10 DGCDRO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c(C)nn1 ZINC000929293963 661294838 /nfs/dbraw/zinc/29/48/38/661294838.db2.gz AQQPGCSWSXWHMJ-UHFFFAOYSA-N 1 0 310.445 3.324 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccn2)C2CC2)c1O ZINC000932380836 661564515 /nfs/dbraw/zinc/56/45/15/661564515.db2.gz WYURIBNFJKTMMK-KRWDZBQOSA-N 1 0 314.360 3.370 20 10 DGCDRO CSCC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000932592105 661584071 /nfs/dbraw/zinc/58/40/71/661584071.db2.gz NHPLVPYBXBWXAG-UHFFFAOYSA-N 1 0 311.422 3.309 20 10 DGCDRO c1cc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)ccn1 ZINC000934699583 661727493 /nfs/dbraw/zinc/72/74/93/661727493.db2.gz ZRRNSCQNSODASY-HXUWFJFHSA-N 1 0 323.440 3.159 20 10 DGCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCOC1 ZINC000157427168 661867328 /nfs/dbraw/zinc/86/73/28/661867328.db2.gz MGAGRHLGFWFEDR-BEFAXECRSA-N 1 0 318.461 3.069 20 10 DGCDRO Oc1cc2c(cc1C[N@H+](C[C@H]1CCOC1)C1CC1)CCCC2 ZINC000159831302 661896069 /nfs/dbraw/zinc/89/60/69/661896069.db2.gz FIADSWTXOYEABR-CQSZACIVSA-N 1 0 301.430 3.272 20 10 DGCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCCO2)c1O ZINC000048949091 661897657 /nfs/dbraw/zinc/89/76/57/661897657.db2.gz YZGOBBYNKBZSSV-AWEZNQCLSA-N 1 0 311.809 3.249 20 10 DGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000187685768 661902519 /nfs/dbraw/zinc/90/25/19/661902519.db2.gz LINNNGUVMCMTSS-UONOGXRCSA-N 1 0 320.433 3.300 20 10 DGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)c1nnnn1C1CC1 ZINC000189146819 661965918 /nfs/dbraw/zinc/96/59/18/661965918.db2.gz OVLFKEPSQDVXGK-NWDGAFQWSA-N 1 0 323.400 3.279 20 10 DGCDRO CC[C@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000189999047 662001140 /nfs/dbraw/zinc/00/11/40/662001140.db2.gz SHTGTISOAGFANH-JSGCOSHPSA-N 1 0 308.422 3.346 20 10 DGCDRO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000192691152 662108292 /nfs/dbraw/zinc/10/82/92/662108292.db2.gz NZWSQZBVPWHDDZ-WDEREUQCSA-N 1 0 312.385 3.095 20 10 DGCDRO CCOC(=O)C1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000037788135 662253904 /nfs/dbraw/zinc/25/39/04/662253904.db2.gz BYIVRHWQHWPDQI-UHFFFAOYSA-N 1 0 311.809 3.257 20 10 DGCDRO COc1cccc(C[N@H+](C)CCCOc2ccccc2)c1O ZINC000091899455 662324685 /nfs/dbraw/zinc/32/46/85/662324685.db2.gz VXNAAKYBCVGSSE-UHFFFAOYSA-N 1 0 301.386 3.302 20 10 DGCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092073520 662327426 /nfs/dbraw/zinc/32/74/26/662327426.db2.gz GRIIZLRZZOMALO-INIZCTEOSA-N 1 0 318.461 3.308 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000092485593 662332107 /nfs/dbraw/zinc/33/21/07/662332107.db2.gz GQXMMVGSWMXUHF-HKUYNNGSSA-N 1 0 300.446 3.288 20 10 DGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C1CC1)C1CC1 ZINC000092704029 662334242 /nfs/dbraw/zinc/33/42/42/662334242.db2.gz XGZOUGVEVVJIDT-UHFFFAOYSA-N 1 0 300.446 3.144 20 10 DGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000092709639 662334446 /nfs/dbraw/zinc/33/44/46/662334446.db2.gz FFHMLZDVEFRYHE-HKUYNNGSSA-N 1 0 300.446 3.288 20 10 DGCDRO CCN(CC)c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000092757360 662335177 /nfs/dbraw/zinc/33/51/77/662335177.db2.gz VKTZLTMSJKFQQL-IBGZPJMESA-N 1 0 301.478 3.203 20 10 DGCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CCC=CO1 ZINC000248741483 662358120 /nfs/dbraw/zinc/35/81/20/662358120.db2.gz AENZKKSRNXWOJH-IAGOWNOFSA-N 1 0 303.402 3.066 20 10 DGCDRO CCOc1cccc(CN(CC(=O)OC(C)(C)C)C(C)C)c1O ZINC000093692519 662358772 /nfs/dbraw/zinc/35/87/72/662358772.db2.gz UFKMCRGSUAHLHD-UHFFFAOYSA-N 1 0 323.433 3.343 20 10 DGCDRO CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]Cc1ccccc1O ZINC000380928649 685153623 /nfs/dbraw/zinc/15/36/23/685153623.db2.gz DRXNMXJQIMKEDC-UHFFFAOYSA-N 1 0 308.422 3.175 20 10 DGCDRO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(Br)cc1O ZINC000381433313 685157993 /nfs/dbraw/zinc/15/79/93/685157993.db2.gz BZEUXDDGOLEIIV-WPRPVWTQSA-N 1 0 302.237 3.311 20 10 DGCDRO CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000391724911 685211610 /nfs/dbraw/zinc/21/16/10/685211610.db2.gz GCVGCMXWSRLAQY-HNNXBMFYSA-N 1 0 316.445 3.006 20 10 DGCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1c(F)cccc1F ZINC000393390469 685216862 /nfs/dbraw/zinc/21/68/62/685216862.db2.gz QCSDTQYERJBZFH-VIFPVBQESA-N 1 0 307.296 3.250 20 10 DGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CS1 ZINC000397924536 685233214 /nfs/dbraw/zinc/23/32/14/685233214.db2.gz JIRFADWGGOSVKI-GZMMTYOYSA-N 1 0 302.237 3.138 20 10 DGCDRO C[C@@H]1CSc2ccccc2N(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC001576862090 1191871084 /nfs/dbraw/zinc/87/10/84/1191871084.db2.gz KFZRTLSSSHTGIQ-ZNQSWUDVSA-N 1 0 316.470 3.317 20 10 DGCDRO CCN(CC)c1ccc(CN[C@H](C[NH3+])C2CCCC2)cc1F ZINC001577699754 1191913009 /nfs/dbraw/zinc/91/30/09/1191913009.db2.gz XAAWBVWGGOZCQD-QGZVFWFLSA-N 1 0 307.457 3.279 20 10 DGCDRO O=C(C1=CCC[NH2+]CC1)N1CC2(CCCC2)c2cccc(F)c21 ZINC001580475550 1192028893 /nfs/dbraw/zinc/02/88/93/1192028893.db2.gz JIZSKMGXSLRWLG-UHFFFAOYSA-N 1 0 314.404 3.294 20 10 DGCDRO [O-]c1c(F)cc(F)cc1C[NH+]1CCC([C@H]2[NH2+]CC23CCC3)CC1 ZINC001580886111 1192044259 /nfs/dbraw/zinc/04/42/59/1192044259.db2.gz YFKQDFHWOMPFBD-QGZVFWFLSA-N 1 0 322.399 3.025 20 10 DGCDRO CC1CCC2(CC1)OC[C@@H](C[NH2+]Cc1ccc3c(c1)CCO3)O2 ZINC001620880593 1192531804 /nfs/dbraw/zinc/53/18/04/1192531804.db2.gz IOBQNUYSBGXREK-LTCLLZNKSA-N 1 0 317.429 3.033 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)C(C)C ZINC001620944400 1192640447 /nfs/dbraw/zinc/64/04/47/1192640447.db2.gz PBKXSXJBCWYZGQ-SFHVURJKSA-N 1 0 315.461 3.079 20 10 DGCDRO COc1cc(C[NH2+][C@H]2CC[C@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC001333306561 1178584721 /nfs/dbraw/zinc/58/47/21/1178584721.db2.gz DOVVWOGLXCLMIK-KBPBESRZSA-N 1 0 307.434 3.355 20 10 DGCDRO COc1cc(C[NH2+][C@@H]2CC[C@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC001333306563 1178585586 /nfs/dbraw/zinc/58/55/86/1178585586.db2.gz DOVVWOGLXCLMIK-KGLIPLIRSA-N 1 0 307.434 3.355 20 10 DGCDRO CC[N@H+](Cc1ccc(N)cc1)Cc1ccc(OC)cc1OC ZINC001334774781 1178794973 /nfs/dbraw/zinc/79/49/73/1178794973.db2.gz NUYJIECKPSIPST-UHFFFAOYSA-N 1 0 300.402 3.308 20 10 DGCDRO Nc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC001334773988 1178795133 /nfs/dbraw/zinc/79/51/33/1178795133.db2.gz BXHOWSDNGLXAIR-UHFFFAOYSA-N 1 0 324.350 3.321 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)c2cnc(C)s2)c(O)c1OC ZINC001335549883 1178929216 /nfs/dbraw/zinc/92/92/16/1178929216.db2.gz HCZJGPDWEFTCDB-VIFPVBQESA-N 1 0 308.403 3.025 20 10 DGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC001336077222 1178990253 /nfs/dbraw/zinc/99/02/53/1178990253.db2.gz HZMQZVOXDMFSHC-DKIXSGTJSA-N 1 0 308.425 3.463 20 10 DGCDRO COc1cccc(O)c1C[NH+]1CCC(Nc2ccccc2)CC1 ZINC001341539757 1179024507 /nfs/dbraw/zinc/02/45/07/1179024507.db2.gz LMQOGVRQRKHGHE-UHFFFAOYSA-N 1 0 312.413 3.477 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCOC[C@@H]1CCCO1 ZINC001342390779 1179137152 /nfs/dbraw/zinc/13/71/52/1179137152.db2.gz SCLOMFOMKGKWNA-ILXRZTDVSA-N 1 0 305.418 3.034 20 10 DGCDRO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343027124 1179225588 /nfs/dbraw/zinc/22/55/88/1179225588.db2.gz LEUFFVALZCSIRI-OAHLLOKOSA-N 1 0 317.477 3.022 20 10 DGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C)C(C)C ZINC001344437764 1179432837 /nfs/dbraw/zinc/43/28/37/1179432837.db2.gz JANMFPYTEUAZDB-IYOUNJFTSA-N 1 0 318.461 3.341 20 10 DGCDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001345809650 1179608855 /nfs/dbraw/zinc/60/88/55/1179608855.db2.gz KYJOKJGLWNJJNJ-AWEZNQCLSA-N 1 0 313.445 3.130 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)cc1C ZINC001621054198 1192976623 /nfs/dbraw/zinc/97/66/23/1192976623.db2.gz CSNNPZRCODDNFM-SHTZXODSSA-N 1 0 305.418 3.214 20 10 DGCDRO CO[C@]1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CCSC1 ZINC001350636501 1180099222 /nfs/dbraw/zinc/09/92/22/1180099222.db2.gz PPBBRLGHFGBJLF-XNJGSVPQSA-N 1 0 307.459 3.361 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC(C)=C(C)C)cc1C ZINC001480520192 1180590548 /nfs/dbraw/zinc/59/05/48/1180590548.db2.gz LJRPQRPQAIVOSX-INIZCTEOSA-N 1 0 318.461 3.344 20 10 DGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)c2nc(C)cs2)c1O ZINC001353583148 1180596854 /nfs/dbraw/zinc/59/68/54/1180596854.db2.gz CRDSNWLOWWBUCI-UHFFFAOYSA-N 1 0 306.431 3.499 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+]CCCC(F)(F)F)N(C)C)cc1 ZINC001355373959 1181046956 /nfs/dbraw/zinc/04/69/56/1181046956.db2.gz QRNBNJHIHHPUFH-OAHLLOKOSA-N 1 0 317.399 3.287 20 10 DGCDRO COc1cccc([C@H](C)[NH2+]Cc2c(F)cccc2OC)c1O ZINC001356062357 1181135083 /nfs/dbraw/zinc/13/50/83/1181135083.db2.gz MVWRWBLKNQMXSI-NSHDSACASA-N 1 0 305.349 3.399 20 10 DGCDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC001460103642 1182652969 /nfs/dbraw/zinc/65/29/69/1182652969.db2.gz FRIPWGHJKNUEMS-ZWKOTPCHSA-N 1 0 302.462 3.450 20 10 DGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)cc1 ZINC001460276855 1182672024 /nfs/dbraw/zinc/67/20/24/1182672024.db2.gz FJWYSIGLDVNGBR-HXUWFJFHSA-N 1 0 312.457 3.482 20 10 DGCDRO CCC1(CC)CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001460726499 1182713399 /nfs/dbraw/zinc/71/33/99/1182713399.db2.gz LOSRMLJHBKTBAT-UHFFFAOYSA-N 1 0 317.477 3.023 20 10 DGCDRO COc1ccc(C[NH2+]CCc2ccccc2)cc1Cn1cccn1 ZINC001461001439 1182753792 /nfs/dbraw/zinc/75/37/92/1182753792.db2.gz RJIRABFNPXSCDW-UHFFFAOYSA-N 1 0 321.424 3.272 20 10 DGCDRO CCC(=O)Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001461056453 1182762805 /nfs/dbraw/zinc/76/28/05/1182762805.db2.gz CMTWGPZKIFNRLY-UHFFFAOYSA-N 1 0 310.397 3.260 20 10 DGCDRO CCOCc1cc(C[NH2+]CC(C)(C)C[C@@H](C)O)ccc1OC ZINC001461235004 1182783628 /nfs/dbraw/zinc/78/36/28/1182783628.db2.gz XVSUNUALOMCYDH-CQSZACIVSA-N 1 0 309.450 3.118 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCOc2ncccc2F)cc1 ZINC001461352470 1182798371 /nfs/dbraw/zinc/79/83/71/1182798371.db2.gz DHJCLFLCMXJBKD-UHFFFAOYSA-N 1 0 317.408 3.236 20 10 DGCDRO COc1ccc(F)cc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001461759039 1182850511 /nfs/dbraw/zinc/85/05/11/1182850511.db2.gz ARSWUFQTOHQEEM-UHFFFAOYSA-N 1 0 301.361 3.102 20 10 DGCDRO CCCOc1ccc(C[NH2+]C[C@]2(OC(C)C)CCOC2)cc1C ZINC001461778467 1182852478 /nfs/dbraw/zinc/85/24/78/1182852478.db2.gz RMBMWGNJQAOLPJ-LJQANCHMSA-N 1 0 321.461 3.458 20 10 DGCDRO C[C@@H]1SCC[N@H+](Cc2ccc(Br)cc2O)[C@H]1C ZINC001461965098 1182887982 /nfs/dbraw/zinc/88/79/82/1182887982.db2.gz ZBEJUZBBDFDRIP-UWVGGRQHSA-N 1 0 316.264 3.481 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC001462179273 1182918749 /nfs/dbraw/zinc/91/87/49/1182918749.db2.gz NACHXLOEFQMLTE-ZRGWGRIASA-N 1 0 319.445 3.284 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC001462179259 1182919228 /nfs/dbraw/zinc/91/92/28/1182919228.db2.gz NACHXLOEFQMLTE-CLCXKQKWSA-N 1 0 319.445 3.284 20 10 DGCDRO COc1cc(C)c(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c(O)c1 ZINC001462252386 1182929001 /nfs/dbraw/zinc/92/90/01/1182929001.db2.gz VGNKDRVEIKTTEE-IRXDYDNUSA-N 1 0 305.418 3.099 20 10 DGCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccc(N(C)C)cc1 ZINC001474116685 1183870414 /nfs/dbraw/zinc/87/04/14/1183870414.db2.gz CDGSXYXPAJOJOF-CQSZACIVSA-N 1 0 321.428 3.389 20 10 DGCDRO CN1CCN(c2ccc(C[NH2+]CCCCC3CC3)cc2F)CC1 ZINC001474237603 1183887117 /nfs/dbraw/zinc/88/71/17/1183887117.db2.gz UXLYCHRLCZMRPM-UHFFFAOYSA-N 1 0 319.468 3.247 20 10 DGCDRO CO[C@@H](C)C[N@H+](Cc1cc(F)c(N(C)C)cc1F)C(C)C ZINC001474316950 1183903951 /nfs/dbraw/zinc/90/39/51/1183903951.db2.gz GWYMCRUDRXZCJW-LBPRGKRZSA-N 1 0 300.393 3.276 20 10 DGCDRO COc1cc(C)c(C[N@H+](C)[C@H](CCO)c2ccccc2)c(O)c1 ZINC001474326050 1183905023 /nfs/dbraw/zinc/90/50/23/1183905023.db2.gz SZKCYMCESWTWPZ-GOSISDBHSA-N 1 0 315.413 3.265 20 10 DGCDRO Cc1cc(O)c(C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1Cl ZINC001474328774 1183905100 /nfs/dbraw/zinc/90/51/00/1183905100.db2.gz RJZTVNBSZJZONH-KRWDZBQOSA-N 1 0 317.816 3.446 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC001474404984 1183915728 /nfs/dbraw/zinc/91/57/28/1183915728.db2.gz XZDVPKPFJQTVHY-UHFFFAOYSA-N 1 0 311.429 3.233 20 10 DGCDRO COC(=O)CCCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001474505179 1183932717 /nfs/dbraw/zinc/93/27/17/1183932717.db2.gz OOXCSTCYWMFXOV-BQYQJAHWSA-N 1 0 304.434 3.089 20 10 DGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)cc(OC)cc2O)c1 ZINC001474505318 1183932987 /nfs/dbraw/zinc/93/29/87/1183932987.db2.gz RKWFHIREBNMGRI-LBPRGKRZSA-N 1 0 317.385 3.274 20 10 DGCDRO Cc1ccc(NC(=O)C[NH2+]Cc2cc(F)ccc2O)c(Cl)c1 ZINC001474590476 1183945915 /nfs/dbraw/zinc/94/59/15/1183945915.db2.gz AYKCCQHWFBTMHT-UHFFFAOYSA-N 1 0 322.767 3.221 20 10 DGCDRO COc1ccnc(C[NH2+]Cc2cc(C(C)C)ccc2O)c1F ZINC001474631841 1183952580 /nfs/dbraw/zinc/95/25/80/1183952580.db2.gz DBCMPIFLAZAVFL-UHFFFAOYSA-N 1 0 304.365 3.348 20 10 DGCDRO COc1cc(C)c(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c(O)c1 ZINC001474640906 1183954515 /nfs/dbraw/zinc/95/45/15/1183954515.db2.gz GRERQAHOCKUBOF-SNVBAGLBSA-N 1 0 304.217 3.383 20 10 DGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1O ZINC001474646708 1183954755 /nfs/dbraw/zinc/95/47/55/1183954755.db2.gz GXJRFZXUFBHQEA-WBVHZDCISA-N 1 0 320.477 3.261 20 10 DGCDRO COC(=O)c1coc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC001474652588 1183956079 /nfs/dbraw/zinc/95/60/79/1183956079.db2.gz PICYELNWHMWODC-UHFFFAOYSA-N 1 0 311.337 3.215 20 10 DGCDRO COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC001474674781 1183959266 /nfs/dbraw/zinc/95/92/66/1183959266.db2.gz KYNGYWHWDXRYEG-INIZCTEOSA-N 1 0 311.809 3.175 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCN1CC(F)(F)F ZINC001474701010 1183964063 /nfs/dbraw/zinc/96/40/63/1183964063.db2.gz BDQILIKRCBUMDK-LBPRGKRZSA-N 1 0 322.758 3.162 20 10 DGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)CCc2ccccc2)cc1Cl ZINC001474712952 1183966677 /nfs/dbraw/zinc/96/66/77/1183966677.db2.gz NTYDXURBQDXQCI-INIZCTEOSA-N 1 0 319.832 3.437 20 10 DGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)C(C)(C)C)C2CC2)cc1C ZINC001480057417 1184421325 /nfs/dbraw/zinc/42/13/25/1184421325.db2.gz JPVCHNJOLXSXDG-INIZCTEOSA-N 1 0 318.461 3.034 20 10 DGCDRO CC[C@H](CNC(=O)[C@@H](C)C1CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494960239 1184970471 /nfs/dbraw/zinc/97/04/71/1184970471.db2.gz IGYJCGCOTHZJEC-WMLDXEAASA-N 1 0 318.461 3.034 20 10 DGCDRO [NH3+]CCc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1 ZINC001521454220 1187023876 /nfs/dbraw/zinc/02/38/76/1187023876.db2.gz GUPMHSUWDMVHET-UHFFFAOYSA-N 1 0 323.440 3.430 20 10 DGCDRO CCC[C@@H](CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001539235058 1188183454 /nfs/dbraw/zinc/18/34/54/1188183454.db2.gz JXWCPMSPSRYDJQ-QAPCUYQASA-N 1 0 319.493 3.298 20 10 DGCDRO CCC[C@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001539707380 1188200342 /nfs/dbraw/zinc/20/03/42/1188200342.db2.gz RCXHWQOUAIWBBG-MAUKXSAKSA-N 1 0 319.493 3.298 20 10 DGCDRO COc1ccc(N(CCC(C)C)CCN2CCOC[C@@H]2C)cc1 ZINC001559810094 1189244391 /nfs/dbraw/zinc/24/43/91/1189244391.db2.gz YYOBFFWITITUIX-KRWDZBQOSA-N 1 0 320.477 3.268 20 10 DGCDRO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)ccc1N1CCCCC1 ZINC001560150206 1189284381 /nfs/dbraw/zinc/28/43/81/1189284381.db2.gz QLLQQYSIZNSTEL-RTBURBONSA-N 1 0 302.462 3.331 20 10 DGCDRO CC[C@H]1C[C@H](C[NH2+]CCCSc2nccs2)CCO1 ZINC001560348133 1189314630 /nfs/dbraw/zinc/31/46/30/1189314630.db2.gz MRVXYWZJCCXJGE-OLZOCXBDSA-N 1 0 300.493 3.420 20 10 DGCDRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001560364851 1189319721 /nfs/dbraw/zinc/31/97/21/1189319721.db2.gz AAESJBRPKQMIQI-QGZVFWFLSA-N 1 0 316.470 3.480 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC001560416539 1189325841 /nfs/dbraw/zinc/32/58/41/1189325841.db2.gz UCZNWRHFEGDTRS-SFHVURJKSA-N 1 0 300.446 3.373 20 10 DGCDRO COc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1C ZINC001560426670 1189327656 /nfs/dbraw/zinc/32/76/56/1189327656.db2.gz WLFIMOYKOGBQCW-UHFFFAOYSA-N 1 0 300.358 3.244 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC001560508081 1189335151 /nfs/dbraw/zinc/33/51/51/1189335151.db2.gz KUWXEQBGPOCCHL-CQSZACIVSA-N 1 0 302.418 3.383 20 10 DGCDRO C[S@](=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001560611271 1189348217 /nfs/dbraw/zinc/34/82/17/1189348217.db2.gz SNBKSUQURJCFSD-CDMIOBSGSA-N 1 0 320.502 3.066 20 10 DGCDRO Oc1cc(Cl)ccc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC001560645998 1189354054 /nfs/dbraw/zinc/35/40/54/1189354054.db2.gz LXZAOPUHPJYVPY-INIZCTEOSA-N 1 0 308.853 3.496 20 10 DGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001560665217 1189357444 /nfs/dbraw/zinc/35/74/44/1189357444.db2.gz QOWMNVDWPHTVLH-CYBMUJFWSA-N 1 0 323.742 3.181 20 10 DGCDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2O)C1 ZINC001560679238 1189359517 /nfs/dbraw/zinc/35/95/17/1189359517.db2.gz GYLQPKSCKBTJSQ-WBVHZDCISA-N 1 0 318.461 3.217 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)c(O)c1 ZINC001560710708 1189365155 /nfs/dbraw/zinc/36/51/55/1189365155.db2.gz SHJPHMIZDYJKTK-MNQCNDSGSA-N 1 0 305.418 3.112 20 10 DGCDRO Cc1ccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c(O)c1 ZINC001560710532 1189365952 /nfs/dbraw/zinc/36/59/52/1189365952.db2.gz NURCVCVCUFVBKU-INIZCTEOSA-N 1 0 305.418 3.256 20 10 DGCDRO CC(C)C[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCN(C)C ZINC001560815557 1189385979 /nfs/dbraw/zinc/38/59/79/1189385979.db2.gz FQWHKBKDWQYXFR-FPLPWBNLSA-N 1 0 303.494 3.285 20 10 DGCDRO Cc1ccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c(O)c1 ZINC001560836670 1189392455 /nfs/dbraw/zinc/39/24/55/1189392455.db2.gz VDZMBVUVQDKBCL-HUUCEWRRSA-N 1 0 324.424 3.157 20 10 DGCDRO C[N@@H+](Cc1ccc(Cl)cc1O)C[C@H](O)Cc1ccccc1 ZINC001560859349 1189394144 /nfs/dbraw/zinc/39/41/44/1189394144.db2.gz IROOVPSGJKLGIJ-MRXNPFEDSA-N 1 0 305.805 3.081 20 10 DGCDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC001560890703 1189401057 /nfs/dbraw/zinc/40/10/57/1189401057.db2.gz ONENTSLGQRSSKN-TZMCWYRMSA-N 1 0 323.408 3.331 20 10 DGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@]3(C)CCCCO3)C2)cc1 ZINC001560899024 1189402067 /nfs/dbraw/zinc/40/20/67/1189402067.db2.gz WMVJZLFBQZSXLX-APWZRJJASA-N 1 0 318.461 3.070 20 10 DGCDRO COc1cc(C)c(C[NH2+]Cc2c(C)cc(CO)cc2C)c(O)c1 ZINC001561015212 1189420554 /nfs/dbraw/zinc/42/05/54/1189420554.db2.gz OCASIBUPDZFOQK-UHFFFAOYSA-N 1 0 315.413 3.108 20 10 DGCDRO CC[C@H](CNC(=O)CC(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567947430 1190370880 /nfs/dbraw/zinc/37/08/80/1190370880.db2.gz LYEUHERDFNGFRS-MRXNPFEDSA-N 1 0 306.450 3.034 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)CC1CCC1 ZINC001568733110 1190583502 /nfs/dbraw/zinc/58/35/02/1190583502.db2.gz UXHJXIZIOUXVEJ-UHFFFAOYSA-N 1 0 318.461 3.132 20 10 DGCDRO Cc1cc(CN(C)C(C)(C)C[NH+]2CCCC2)ccc1N(C)C ZINC001618686340 1193748122 /nfs/dbraw/zinc/74/81/22/1193748122.db2.gz YOSGHFTYLLZYGE-UHFFFAOYSA-N 1 0 303.494 3.367 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)CCc2ccccc2F)cc1 ZINC001619656220 1193760130 /nfs/dbraw/zinc/76/01/30/1193760130.db2.gz GLHNPLBIAHXBLF-UHFFFAOYSA-N 1 0 316.420 3.445 20 10 DGCDRO Oc1cccc(Cl)c1C[NH2+]CCc1cccc2c1OCCO2 ZINC001621080931 1193799898 /nfs/dbraw/zinc/79/98/98/1193799898.db2.gz PZKBTZQJNNDZQZ-UHFFFAOYSA-N 1 0 319.788 3.149 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CC2CC(OC)(OC)C2)cc1F ZINC001621109025 1193804002 /nfs/dbraw/zinc/80/40/02/1193804002.db2.gz IGONCGIXULANQN-UHFFFAOYSA-N 1 0 324.440 3.161 20 10 DGCDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1n1ccnc1 ZINC001621157502 1193809383 /nfs/dbraw/zinc/80/93/83/1193809383.db2.gz MNSKINRTPOPQPJ-IUODEOHRSA-N 1 0 305.809 3.325 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001621257288 1193823679 /nfs/dbraw/zinc/82/36/79/1193823679.db2.gz IXQQKOQORQLIKL-OAHLLOKOSA-N 1 0 320.433 3.190 20 10 DGCDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1O ZINC001621399757 1193837670 /nfs/dbraw/zinc/83/76/70/1193837670.db2.gz OWXUNHSKEKHGET-OLZOCXBDSA-N 1 0 323.408 3.474 20 10 DGCDRO Cc1ccc(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001621451607 1193844320 /nfs/dbraw/zinc/84/43/20/1193844320.db2.gz YWEFCJDZVAUBED-GOSISDBHSA-N 1 0 320.433 3.190 20 10 DGCDRO C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001621458091 1193845741 /nfs/dbraw/zinc/84/57/41/1193845741.db2.gz WXKDPIWBAGMBSJ-IUODEOHRSA-N 1 0 312.404 3.223 20 10 DGCDRO CCCC[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001627464619 1194130386 /nfs/dbraw/zinc/13/03/86/1194130386.db2.gz PCVZWPLLLMKOJS-YJBOKZPZSA-N 1 0 319.493 3.298 20 10 DGCDRO CCCCN(Cc1ccccc1O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001639522910 1194769782 /nfs/dbraw/zinc/76/97/82/1194769782.db2.gz ZTRCOLNVXIGJGH-UHFFFAOYSA-N 1 0 320.477 3.499 20 10 DGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(CO)CCCC1 ZINC001643336799 1195016762 /nfs/dbraw/zinc/01/67/62/1195016762.db2.gz MPXRBPVKPFCFRL-GOSISDBHSA-N 1 0 304.478 3.420 20 10 DGCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](CC)C(=O)OCC ZINC001645268826 1195170418 /nfs/dbraw/zinc/17/04/18/1195170418.db2.gz CSJNHRHUWFIGJI-QGZVFWFLSA-N 1 0 306.450 3.306 20 10 DGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1 ZINC001646717629 1195237255 /nfs/dbraw/zinc/23/72/55/1195237255.db2.gz BVAPLALEKQDNOT-SNRMKQJTSA-N 1 0 318.461 3.021 20 10 DGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H]2CCO[C@H]21 ZINC001647026846 1195240429 /nfs/dbraw/zinc/24/04/29/1195240429.db2.gz VBCYMDSQZPZQNP-KZNAEPCWSA-N 1 0 300.446 3.190 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ncccc2C)c1O ZINC001648602154 1195312665 /nfs/dbraw/zinc/31/26/65/1195312665.db2.gz XTQBAHNFOCGASM-NSHDSACASA-N 1 0 302.349 3.288 20 10 DGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ncccc2C)c1O ZINC001648602152 1195313038 /nfs/dbraw/zinc/31/30/38/1195313038.db2.gz XTQBAHNFOCGASM-LLVKDONJSA-N 1 0 302.349 3.288 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H](CO)c2ccccc2)ccc1OC ZINC001649412084 1195334886 /nfs/dbraw/zinc/33/48/86/1195334886.db2.gz FGHSBWPGHYURFW-GOSISDBHSA-N 1 0 315.413 3.055 20 10 DGCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)ccc1OC ZINC001650919439 1195395938 /nfs/dbraw/zinc/39/59/38/1195395938.db2.gz XMYOWLOYXUAWIY-HKUYNNGSSA-N 1 0 319.445 3.279 20 10 DGCDRO CCCn1cncc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001651228156 1195428921 /nfs/dbraw/zinc/42/89/21/1195428921.db2.gz PSJZLOSTMHVHTM-INIZCTEOSA-N 1 0 314.477 3.388 20 10 DGCDRO OC[C@@H](CC1CCCCC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001651237387 1195431203 /nfs/dbraw/zinc/43/12/03/1195431203.db2.gz UGBGABWXDUZWAO-GOSISDBHSA-N 1 0 303.446 3.433 20 10 DGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(C)nc(C)c3)C2)cc1 ZINC001651311045 1195441770 /nfs/dbraw/zinc/44/17/70/1195441770.db2.gz XLGLOWVTDSVMOU-QGZVFWFLSA-N 1 0 311.429 3.076 20 10 DGCDRO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001651322018 1195443403 /nfs/dbraw/zinc/44/34/03/1195443403.db2.gz LKLRXDCRLXJQFS-OAHLLOKOSA-N 1 0 307.457 3.102 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccns2)cc1F ZINC001651478948 1195469277 /nfs/dbraw/zinc/46/92/77/1195469277.db2.gz LGWQDPZVCIZSEI-UHFFFAOYSA-N 1 0 307.438 3.461 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)CCc2ccccc2)cc1 ZINC001651582892 1195482455 /nfs/dbraw/zinc/48/24/55/1195482455.db2.gz YXBJWGNASCPQGV-NSDNCLLMSA-N 1 0 324.468 3.349 20 10 DGCDRO O=[N+]([O-])c1cc(C[NH2+]C/C=C\Cl)ccc1N1CCCCC1 ZINC001651651589 1195491095 /nfs/dbraw/zinc/49/10/95/1195491095.db2.gz SKMRLSDTROCNIN-DAXSKMNVSA-N 1 0 309.797 3.427 20 10 DGCDRO COC(=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCCC1 ZINC001652179679 1195558875 /nfs/dbraw/zinc/55/88/75/1195558875.db2.gz ZDABQBSAQADMCU-UHFFFAOYSA-N 1 0 317.429 3.225 20 10 DGCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cc1Cl ZINC001652737103 1195643510 /nfs/dbraw/zinc/64/35/10/1195643510.db2.gz NYOIEYTVAWDWDU-NSHDSACASA-N 1 0 313.825 3.421 20 10 DGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC001652847142 1195660200 /nfs/dbraw/zinc/66/02/00/1195660200.db2.gz RULKYZQLQYCSAC-KRWDZBQOSA-N 1 0 314.404 3.293 20 10 DGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)cc1F ZINC001653075788 1195685794 /nfs/dbraw/zinc/68/57/94/1195685794.db2.gz MWVJZOFEQYMQCG-CYBMUJFWSA-N 1 0 312.404 3.014 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCCC23OCCO3)cc1 ZINC001653246669 1195703129 /nfs/dbraw/zinc/70/31/29/1195703129.db2.gz WFDYNENSTHWBKM-XFHJGTJQSA-N 1 0 316.445 3.041 20 10 DGCDRO CCC[N@H+](Cc1ccccc1O)C[C@](O)(CC)C(F)(F)F ZINC001653476046 1195726615 /nfs/dbraw/zinc/72/66/15/1195726615.db2.gz NNHMNQAFZUQPQZ-CQSZACIVSA-N 1 0 305.340 3.308 20 10 DGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CC1(C)C ZINC001654775374 1195838814 /nfs/dbraw/zinc/83/88/14/1195838814.db2.gz PEFWQIZOTAVPAM-MSOLQXFVSA-N 1 0 302.462 3.438 20 10 DGCDRO COc1ccc(N2CC[NH+](CCCC3CCC3)CC2)c(OC)c1 ZINC001655378900 1195909951 /nfs/dbraw/zinc/90/99/51/1195909951.db2.gz RSMBQYRBNVXEBI-UHFFFAOYSA-N 1 0 318.461 3.406 20 10 DGCDRO CCCn1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c(C)n1 ZINC001655446150 1195917986 /nfs/dbraw/zinc/91/79/86/1195917986.db2.gz PAZLMIVQGAWGKR-UHFFFAOYSA-N 1 0 312.461 3.274 20 10 DGCDRO Fc1ccccc1-c1n[nH]cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001655477089 1195922392 /nfs/dbraw/zinc/92/23/92/1195922392.db2.gz ZLBQGVFOPSHDEB-UHFFFAOYSA-N 1 0 323.371 3.441 20 10 DGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001655549428 1195930309 /nfs/dbraw/zinc/93/03/09/1195930309.db2.gz VWTKUJJGRSMJBO-CYBMUJFWSA-N 1 0 305.418 3.222 20 10 DGCDRO CSC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCOCC1 ZINC001655706225 1195952445 /nfs/dbraw/zinc/95/24/45/1195952445.db2.gz YAQOURRVXAJJIA-UHFFFAOYSA-N 1 0 320.502 3.289 20 10 DGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)c2ccccc2)cc1 ZINC001655725400 1195956295 /nfs/dbraw/zinc/95/62/95/1195956295.db2.gz WIBMWISUXJJPFS-LJQANCHMSA-N 1 0 312.457 3.399 20 10 DGCDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001656270196 1196025433 /nfs/dbraw/zinc/02/54/33/1196025433.db2.gz QZFDURHGTJACBD-CQSZACIVSA-N 1 0 310.397 3.128 20 10 DGCDRO CO[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C12CCC2 ZINC001656405427 1196036935 /nfs/dbraw/zinc/03/69/35/1196036935.db2.gz OTLUXDUUNPFATO-UUOJUMCQSA-N 1 0 300.446 3.313 20 10 DGCDRO c1ccc2c(c1)CO[C@H](C[NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001656709404 1196064364 /nfs/dbraw/zinc/06/43/64/1196064364.db2.gz NVFPWSOQAJTKTD-IBGZPJMESA-N 1 0 309.409 3.243 20 10 DGCDRO Cc1cn(C)nc1C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC001656734945 1196066597 /nfs/dbraw/zinc/06/65/97/1196066597.db2.gz BPUXYDNQLMYSMV-UHFFFAOYSA-N 1 0 322.456 3.468 20 10 DGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC001656875893 1196077612 /nfs/dbraw/zinc/07/76/12/1196077612.db2.gz IFMYCHSZXJWQGX-OAHLLOKOSA-N 1 0 312.413 3.021 20 10 DGCDRO CCC[C@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001657065326 1196099858 /nfs/dbraw/zinc/09/98/58/1196099858.db2.gz YAHWMNRRFOMDFI-AWEZNQCLSA-N 1 0 318.383 3.412 20 10 DGCDRO CCCN(CCC)c1ccc(C[NH2+]CC2(N(C)C)CC2)cc1 ZINC001657558356 1196154405 /nfs/dbraw/zinc/15/44/05/1196154405.db2.gz PVXMJASKYNCZHB-UHFFFAOYSA-N 1 0 303.494 3.497 20 10 DGCDRO C[C@H](CN1CCC(C)CC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001657669154 1196167613 /nfs/dbraw/zinc/16/76/13/1196167613.db2.gz MYNPXVXAWMNVJR-OOFWQKGWSA-N 1 0 315.505 3.476 20 10 DGCDRO CN(C)c1ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC001657701722 1196170792 /nfs/dbraw/zinc/17/07/92/1196170792.db2.gz OLKYYPAFHPCYSN-MRXNPFEDSA-N 1 0 319.468 3.388 20 10 DGCDRO CCCN(C)CC(C)(C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001657720369 1196172129 /nfs/dbraw/zinc/17/21/29/1196172129.db2.gz UGQXQMWCVLTVFX-HJWRWDBZSA-N 1 0 303.494 3.476 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)cc1 ZINC001657788575 1196177886 /nfs/dbraw/zinc/17/78/86/1196177886.db2.gz LEJFRKBIRIQZQG-OSFIAYCASA-N 1 0 302.462 3.295 20 10 DGCDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Cc1ccccc1 ZINC001657995164 1196200020 /nfs/dbraw/zinc/20/00/20/1196200020.db2.gz AGNVQSFCTXQMBK-KRWDZBQOSA-N 1 0 316.420 3.239 20 10 DGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccc(F)c2)N(C)C)cc1 ZINC001658123923 1196213801 /nfs/dbraw/zinc/21/38/01/1196213801.db2.gz XMQLANUXYAMFFW-LJQANCHMSA-N 1 0 315.436 3.284 20 10 DGCDRO Cc1cc(O)c(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1Cl ZINC001658217831 1196226131 /nfs/dbraw/zinc/22/61/31/1196226131.db2.gz RDLNMDMMVBJYFZ-LBPRGKRZSA-N 1 0 308.853 3.270 20 10 DGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H](O)C2CCCC2)cc1 ZINC001658464139 1196260182 /nfs/dbraw/zinc/26/01/82/1196260182.db2.gz RWHMKTKRRNTBBN-SFFCAUCYSA-N 1 0 302.462 3.297 20 10 DGCDRO COc1cc(C)c(C[NH2+]C[C@H]2CCN2C2CCCCC2)c(O)c1 ZINC001658571141 1196274339 /nfs/dbraw/zinc/27/43/39/1196274339.db2.gz IBNBKHJVBFYHAQ-MRXNPFEDSA-N 1 0 318.461 3.206 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c(O)c1 ZINC001658789200 1196301223 /nfs/dbraw/zinc/30/12/23/1196301223.db2.gz YLMORHGTJFCTBA-SFHVURJKSA-N 1 0 307.397 3.428 20 10 DGCDRO COc1cc(C)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(O)c1 ZINC001658855441 1196311081 /nfs/dbraw/zinc/31/10/81/1196311081.db2.gz WRMFABXGGRVVFD-CVEARBPZSA-N 1 0 318.461 3.156 20 10 DGCDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1ccc(C)cc1O ZINC001659077457 1196341748 /nfs/dbraw/zinc/34/17/48/1196341748.db2.gz WYYYWBWSKMCWMG-CQSZACIVSA-N 1 0 322.449 3.436 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1 ZINC001659095509 1196344300 /nfs/dbraw/zinc/34/43/00/1196344300.db2.gz JODSHYKTCVYPQM-HNNXBMFYSA-N 1 0 316.445 3.006 20 10 DGCDRO CO[C@@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC001659365556 1196375863 /nfs/dbraw/zinc/37/58/63/1196375863.db2.gz LDCWPAHHVYAWPK-IBGZPJMESA-N 1 0 320.477 3.268 20 10 DGCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(Cl)cc2O)c1 ZINC001659567026 1196395654 /nfs/dbraw/zinc/39/56/54/1196395654.db2.gz HUDAUYDPILRMQD-KRWDZBQOSA-N 1 0 305.805 3.486 20 10 DGCDRO CCCN(Cc1c(Cl)ncn1CC)c1ccc(C[NH3+])cc1 ZINC001659679388 1196405539 /nfs/dbraw/zinc/40/55/39/1196405539.db2.gz FGXGKMIYJRFTJW-UHFFFAOYSA-N 1 0 306.841 3.432 20 10 DGCDRO C[N@H+](Cc1cnn(CCF)c1)Cc1ccc(N2CCCC2)cc1 ZINC001659723432 1196409082 /nfs/dbraw/zinc/40/90/82/1196409082.db2.gz LKIAMAYQPQPUPA-UHFFFAOYSA-N 1 0 316.424 3.085 20 10 DGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(C(C)C)ccc1O ZINC001659752529 1196411463 /nfs/dbraw/zinc/41/14/63/1196411463.db2.gz QMQTUTZHAYIMBK-WMRANVBESA-N 1 0 301.430 3.371 20 10 DGCDRO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001659941820 1196431194 /nfs/dbraw/zinc/43/11/94/1196431194.db2.gz GYMQMTJWSCVVFY-INIZCTEOSA-N 1 0 318.461 3.254 20 10 DGCDRO Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)c(O)c1 ZINC001659952183 1196431520 /nfs/dbraw/zinc/43/15/20/1196431520.db2.gz LAZMITWHJACKPF-APWZRJJASA-N 1 0 310.441 3.453 20 10 DGCDRO C[C@H](C[N@H+](C)Cc1ccc(Cl)cc1O)C(=O)OC(C)(C)C ZINC001659987823 1196435119 /nfs/dbraw/zinc/43/51/19/1196435119.db2.gz QPTGXUVSFYXPML-LLVKDONJSA-N 1 0 313.825 3.455 20 10 DGCDRO CO[C@H](C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)CC(C)C ZINC001660177640 1196454875 /nfs/dbraw/zinc/45/48/75/1196454875.db2.gz GHNIOKFNBNCBQC-RBUKOAKNSA-N 1 0 321.509 3.006 20 10 DGCDRO C[NH+](C)CC[C@@H](NCc1ccc(Cl)cc1O)c1cccnc1 ZINC001660741970 1196517881 /nfs/dbraw/zinc/51/78/81/1196517881.db2.gz FXSSQZKJUKDCTO-MRXNPFEDSA-N 1 0 319.836 3.223 20 10 DGCDRO C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC001660849858 1196534841 /nfs/dbraw/zinc/53/48/41/1196534841.db2.gz DQKBNEZGTIMUPH-UHFFFAOYSA-N 1 0 302.821 3.204 20 10 DGCDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)C ZINC001662502785 1196725958 /nfs/dbraw/zinc/72/59/58/1196725958.db2.gz MRVGOSXKIKBSNT-IEBWSBKVSA-N 1 0 305.462 3.390 20 10 DGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)CC(C)C)cc1C ZINC001662883943 1196768256 /nfs/dbraw/zinc/76/82/56/1196768256.db2.gz YURRVEGGLFRSKF-OAHLLOKOSA-N 1 0 306.450 3.034 20 10 DGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1-n1cncn1 ZINC001663184532 1196807797 /nfs/dbraw/zinc/80/77/97/1196807797.db2.gz KDUKQFYWTIOMPR-AWEZNQCLSA-N 1 0 308.385 3.132 20 10 DGCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(C(C)C)ccc1O)CC2 ZINC001663617093 1196915032 /nfs/dbraw/zinc/91/50/32/1196915032.db2.gz CIUXBRWIEBPOOC-MRXNPFEDSA-N 1 0 317.429 3.291 20 10 DGCDRO CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)C(=O)OCC)cc1C ZINC001664213704 1196980951 /nfs/dbraw/zinc/98/09/51/1196980951.db2.gz UBLBCNIOZZPYGS-CABCVRRESA-N 1 0 307.434 3.461 20 10 DGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC001664305868 1196988655 /nfs/dbraw/zinc/98/86/55/1196988655.db2.gz ROUKEHOVVUXBDC-AWEZNQCLSA-N 1 0 303.324 3.015 20 10 DGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccccc2F)c(O)c1 ZINC001664630582 1197024205 /nfs/dbraw/zinc/02/42/05/1197024205.db2.gz MFWVRKRZFOHUAH-UHFFFAOYSA-N 1 0 316.420 3.404 20 10 DGCDRO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001665312957 1197121067 /nfs/dbraw/zinc/12/10/67/1197121067.db2.gz SFXORUWOONJQQG-ZDUSSCGKSA-N 1 0 308.422 3.046 20 10 DGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c1 ZINC001665688073 1197171931 /nfs/dbraw/zinc/17/19/31/1197171931.db2.gz LSIGCHKRVLVHMJ-DKSSEZFCSA-N 1 0 319.445 3.332 20 10 DGCDRO CCC(=CC(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1)CC ZINC001669273739 1197446859 /nfs/dbraw/zinc/44/68/59/1197446859.db2.gz UDQSBQHKRAVTSY-OAHLLOKOSA-N 1 0 318.461 3.344 20 10 DGCDRO CCC(C)(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001669569232 1197463123 /nfs/dbraw/zinc/46/31/23/1197463123.db2.gz XLMNGMVGJAZPLT-HNNXBMFYSA-N 1 0 320.477 3.424 20 10 DGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(N)cc1 ZINC000382663018 1197705669 /nfs/dbraw/zinc/70/56/69/1197705669.db2.gz JGJZGOUOXQMWJW-QGZVFWFLSA-N 1 0 309.457 3.365 20 10 DGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000315573659 1199807565 /nfs/dbraw/zinc/80/75/65/1199807565.db2.gz PVBWQJMHXDPRAG-FXUDXRNXSA-N 1 0 300.446 3.465 20 10 DGCDRO CCCC[C@H](CC)COC[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000318300619 1199830140 /nfs/dbraw/zinc/83/01/40/1199830140.db2.gz NOUPBPAQTZNHIC-RDJZCZTQSA-N 1 0 309.450 3.076 20 10 DGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000125218073 1200368043 /nfs/dbraw/zinc/36/80/43/1200368043.db2.gz NZEOVXGDQHRJTD-MRXNPFEDSA-N 1 0 308.516 3.225 20 10 DGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCC(C)C)C2)cc1C ZINC001690263805 1200467228 /nfs/dbraw/zinc/46/72/28/1200467228.db2.gz NTPWSSDGKJTXBZ-QAQDUYKDSA-N 1 0 318.461 3.177 20 10 DGCDRO CCCC1(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001690618912 1200651992 /nfs/dbraw/zinc/65/19/92/1200651992.db2.gz KALMCCVHIKJYOZ-OAHLLOKOSA-N 1 0 318.461 3.178 20 10 DGCDRO CC[C@H](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690664065 1200677907 /nfs/dbraw/zinc/67/79/07/1200677907.db2.gz SRLGKYGMTBQYIG-YOEHRIQHSA-N 1 0 318.461 3.130 20 10 DGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1=CCCC1 ZINC001699175370 1201741534 /nfs/dbraw/zinc/74/15/34/1201741534.db2.gz ITDXQTIJCNGPDC-UHFFFAOYSA-N 1 0 316.445 3.052 20 10 DGCDRO CC[C@@H](C)[C@@H](C)C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753245608 1202188642 /nfs/dbraw/zinc/18/86/42/1202188642.db2.gz DYAYRUZNFFKIFP-GDBMZVCRSA-N 1 0 320.477 3.234 20 10 DGCDRO CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753769719 1202330960 /nfs/dbraw/zinc/33/09/60/1202330960.db2.gz UIYQTGTUFKFANR-QGZVFWFLSA-N 1 0 318.461 3.274 20 10 DGCDRO CCC(C)(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001713312187 1202638285 /nfs/dbraw/zinc/63/82/85/1202638285.db2.gz HFRLDKMECTZUHU-HNNXBMFYSA-N 1 0 320.477 3.424 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2CC(C)C2)cc1C ZINC001715636070 1203376422 /nfs/dbraw/zinc/37/64/22/1203376422.db2.gz OZGXYMIWEVUPEL-GULBITTBSA-N 1 0 318.461 3.034 20 10 DGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)C)cc1C ZINC001715698147 1203381707 /nfs/dbraw/zinc/38/17/07/1203381707.db2.gz JMBDAELFLNXCHD-CQSZACIVSA-N 1 0 306.450 3.034 20 10 DGCDRO CCCCC(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717380640 1203632471 /nfs/dbraw/zinc/63/24/71/1203632471.db2.gz ZVKRITNZGNCZST-UHFFFAOYSA-N 1 0 318.461 3.178 20 10 DGCDRO CCOc1ccc2c(c1)C[N@@H+](Cc1cc(OC)ccc1O)CC2 ZINC000179911805 1204324182 /nfs/dbraw/zinc/32/41/82/1204324182.db2.gz FDYLXNAJVOQODS-UHFFFAOYSA-N 1 0 313.397 3.358 20 10 DGCDRO